Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
602662 | 2nau RC | 25947 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 H LYS 1 1.806 0.000 0.856
2 HA LYS 1 HA LYS 1 3.038 -0.488 -1.048
3 HB2 LYS 1 2HB LYS 1 0.418 -0.269 -2.541
4 HB3 LYS 1 3HB LYS 1 1.951 -0.800 -3.220
5 HG2 LYS 1 2HG LYS 1 1.503 -2.882 -2.632
6 HG3 LYS 1 3HG LYS 1 1.397 -2.395 -0.938
7 HD2 LYS 1 2HD LYS 1 -0.721 -3.166 -1.167
8 HD3 LYS 1 3HD LYS 1 -0.995 -1.538 -1.791
9 HE2 LYS 1 2HE LYS 1 -1.849 -2.593 -3.577
10 HE3 LYS 1 3HE LYS 1 -0.164 -2.848 -4.028
11 HZ1 LYS 1 3HZ LYS 1 -1.463 -4.898 -4.113
12 HZ2 LYS 1 1HZ LYS 1 -1.820 -4.755 -2.465
13 HZ3 LYS 1 2HZ LYS 1 -0.224 -5.002 -2.966
14 H TYR 2 H TYR 2 2.361 2.085 0.170
15 HA TYR 2 HA TYR 2 2.119 4.004 -1.951
16 HB2 TYR 2 2HB TYR 2 1.716 4.072 0.774
17 HB3 TYR 2 3HB TYR 2 3.204 4.993 0.583
18 HD1 TYR 2 HD1 TYR 2 3.175 7.190 -0.299
19 HD2 TYR 2 HD2 TYR 2 -0.341 4.801 -0.463
20 HE1 TYR 2 HE1 TYR 2 1.873 9.164 -0.973
21 HE2 TYR 2 HE2 TYR 2 -1.654 6.768 -1.139
22 HH TYR 2 HH TYR 2 -0.413 9.951 -0.968
23 H GLU 3 H GLU 3 4.686 2.258 -0.521
24 HA GLU 3 HA GLU 3 6.752 4.159 -1.186
25 HB2 GLU 3 2HB GLU 3 6.925 1.273 -0.304
26 HB3 GLU 3 3HB GLU 3 8.299 2.354 -0.486
27 HG2 GLU 3 2HG GLU 3 6.060 3.173 1.292
28 HG3 GLU 3 3HG GLU 3 7.190 1.942 1.852
29 H ILE 4 H ILE 4 5.396 1.217 -2.554
30 HA ILE 4 HA ILE 4 7.361 1.067 -4.658
31 HB ILE 4 HB ILE 4 6.240 -0.955 -3.726
32 HG12 ILE 4 2HG1 ILE 4 5.828 -0.484 -6.687
33 HG13 ILE 4 3HG1 ILE 4 7.333 -0.996 -5.930
34 HG21 ILE 4 1HG2 ILE 4 3.965 -1.487 -4.489
35 HG22 ILE 4 2HG2 ILE 4 4.004 -0.063 -3.451
36 HG23 ILE 4 3HG2 ILE 4 3.839 0.123 -5.197
37 HD11 ILE 4 3HD1 ILE 4 5.480 -2.854 -5.063
38 HD12 ILE 4 1HD1 ILE 4 5.045 -2.557 -6.745
39 HD13 ILE 4 2HD1 ILE 4 6.681 -3.073 -6.335
40 H THR 5 H THR 5 4.211 2.460 -4.197
41 HA THR 5 HA THR 5 3.650 2.834 -6.987
42 HB THR 5 HB THR 5 1.931 2.710 -5.084
43 HG1 THR 5 HG1 THR 5 1.512 4.978 -6.708
44 HG21 THR 5 3HG2 THR 5 3.241 4.629 -3.873
45 HG22 THR 5 1HG2 THR 5 1.481 4.561 -3.780
46 HG23 THR 5 2HG2 THR 5 2.263 5.674 -4.904
47 H THR 6 H THR 6 5.211 4.667 -4.460
48 HA THR 6 HA THR 6 5.236 7.134 -5.953
49 HB THR 6 HB THR 6 5.198 7.180 -3.497
50 HG1 THR 6 HG1 THR 6 6.141 9.026 -3.918
51 HG21 THR 6 3HG2 THR 6 6.569 5.166 -3.110
52 HG22 THR 6 1HG2 THR 6 7.162 6.557 -2.202
53 HG23 THR 6 2HG2 THR 6 7.992 6.043 -3.671
54 H ILE 7 H ILE 7 7.436 4.465 -5.336
55 HA ILE 7 HA ILE 7 9.719 5.726 -6.509
56 HB ILE 7 HB ILE 7 9.799 3.832 -4.840
57 HG12 ILE 7 2HG1 ILE 7 11.315 3.475 -7.436
58 HG13 ILE 7 3HG1 ILE 7 11.772 4.547 -6.116
59 HG21 ILE 7 1HG2 ILE 7 9.165 2.162 -7.270
60 HG22 ILE 7 2HG2 ILE 7 9.603 1.559 -5.673
61 HG23 ILE 7 3HG2 ILE 7 8.087 2.429 -5.900
62 HD11 ILE 7 3HD1 ILE 7 12.191 1.686 -6.441
63 HD12 ILE 7 1HD1 ILE 7 13.050 2.856 -5.440
64 HD13 ILE 7 2HD1 ILE 7 11.550 2.131 -4.859
65 H HIS 8 H HIS 8 7.110 3.712 -7.674
66 HA HIS 8 HA HIS 8 8.351 3.199 -10.225
67 HB2 HIS 8 2HB HIS 8 5.762 2.516 -8.923
68 HB3 HIS 8 3HB HIS 8 5.812 2.511 -10.684
69 HD1 HIS 8 HD1 HIS 8 7.429 0.835 -7.710
70 HD2 HIS 8 HD2 HIS 8 7.010 0.312 -11.810
71 HE1 HIS 8 HE1 HIS 8 8.353 -1.453 -8.194
72 H ASN 9 H ASN 9 6.340 5.636 -8.839
73 HA ASN 9 HA ASN 9 5.343 6.642 -11.346
74 HB2 ASN 9 2HB ASN 9 4.067 6.899 -9.242
75 HB3 ASN 9 3HB ASN 9 5.344 7.933 -8.608
76 HD21 ASN 9 2HD2 ASN 9 2.769 9.326 -11.452
77 HD22 ASN 9 1HD2 ASN 9 2.985 7.629 -11.207
78 H LEU 10 H LEU 10 8.016 7.321 -9.189
79 HA LEU 10 HA LEU 10 8.781 9.823 -10.180
80 HB2 LEU 10 2HB LEU 10 10.725 9.566 -8.980
81 HB3 LEU 10 3HB LEU 10 9.630 8.468 -8.142
82 HG LEU 10 HG LEU 10 10.729 6.719 -9.822
83 HD11 LEU 10 1HD1 LEU 10 13.241 7.332 -9.779
84 HD12 LEU 10 2HD1 LEU 10 12.664 8.992 -9.644
85 HD13 LEU 10 3HD1 LEU 10 12.212 8.013 -11.039
86 HD21 LEU 10 3HD2 LEU 10 12.553 7.271 -7.610
87 HD22 LEU 10 1HD2 LEU 10 11.567 5.847 -7.941
88 HD23 LEU 10 2HD2 LEU 10 10.854 7.245 -7.136
89 H ALA 11 H ALA 11 9.172 6.630 -11.477
90 HA ALA 11 HA ALA 11 10.904 7.684 -13.611
91 HB1 ALA 11 1HB ALA 11 11.971 5.705 -13.715
92 HB2 ALA 11 2HB ALA 11 11.343 5.506 -12.079
93 HB3 ALA 11 3HB ALA 11 10.497 4.775 -13.443
94 H ARG 12 H ARG 12 8.202 8.327 -13.712
95 HA ARG 12 HA ARG 12 7.010 6.473 -15.635
96 HB2 ARG 12 2HB ARG 12 4.951 7.649 -15.298
97 HB3 ARG 12 3HB ARG 12 5.663 7.358 -13.717
98 HG2 ARG 12 2HG ARG 12 5.104 9.523 -13.422
99 HG3 ARG 12 3HG ARG 12 6.676 9.779 -14.182
100 HD2 ARG 12 2HD ARG 12 5.762 10.471 -16.159
101 HD3 ARG 12 3HD ARG 12 4.303 9.505 -15.947
102 HE ARG 12 HE ARG 12 4.673 12.216 -15.182
103 HH11 ARG 12 1HH1 ARG 12 3.088 9.261 -14.246
104 HH12 ARG 12 2HH1 ARG 12 1.806 10.064 -13.401
105 HH21 ARG 12 2HH2 ARG 12 1.751 12.352 -13.303
106 HH22 ARG 12 1HH2 ARG 12 2.991 13.284 -14.072
107 H LYS 13 H LYS 13 8.455 9.626 -15.413
108 HA LYS 13 HA LYS 13 7.507 10.751 -17.803
109 HB2 LYS 13 2HB LYS 13 9.371 12.290 -17.634
110 HB3 LYS 13 3HB LYS 13 8.686 12.021 -16.037
111 HG2 LYS 13 2HG LYS 13 10.872 11.825 -15.500
112 HG3 LYS 13 3HG LYS 13 10.578 10.151 -15.978
113 HD2 LYS 13 2HD LYS 13 12.290 10.410 -17.391
114 HD3 LYS 13 3HD LYS 13 11.190 11.391 -18.363
115 HE2 LYS 13 2HE LYS 13 12.139 13.354 -17.701
116 HE3 LYS 13 3HE LYS 13 12.591 12.728 -16.116
117 HZ1 LYS 13 3HZ LYS 13 14.297 11.360 -17.333
118 HZ2 LYS 13 1HZ LYS 13 14.582 13.028 -17.300
119 HZ3 LYS 13 2HZ LYS 13 13.972 12.301 -18.701
120 H LEU 14 H LEU 14 10.095 8.486 -17.150
121 HA LEU 14 HA LEU 14 11.378 8.668 -19.669
122 HB2 LEU 14 2HB LEU 14 12.539 6.679 -19.051
123 HB3 LEU 14 3HB LEU 14 12.385 7.696 -17.620
124 HG LEU 14 HG LEU 14 10.269 6.147 -17.209
125 HD11 LEU 14 1HD1 LEU 14 11.775 3.876 -18.047
126 HD12 LEU 14 2HD1 LEU 14 11.484 4.919 -19.438
127 HD13 LEU 14 3HD1 LEU 14 10.127 4.336 -18.475
128 HD21 LEU 14 3HD2 LEU 14 11.569 4.924 -15.662
129 HD22 LEU 14 1HD2 LEU 14 12.340 6.504 -15.802
130 HD23 LEU 14 2HD2 LEU 14 13.032 5.109 -16.630
131 H THR 15 H THR 15 8.528 7.054 -18.568
132 HA THR 15 HA THR 15 8.402 5.166 -20.733
133 HB THR 15 HB THR 15 6.744 5.822 -18.388
134 HG1 THR 15 HG1 THR 15 7.582 3.514 -19.801
135 HG21 THR 15 3HG2 THR 15 5.516 4.844 -20.962
136 HG22 THR 15 1HG2 THR 15 5.036 6.241 -19.999
137 HG23 THR 15 2HG2 THR 15 4.770 4.611 -19.381
138 H HIS 16 H HIS 16 7.280 8.406 -20.130
139 HA HIS 16 HA HIS 16 5.423 8.428 -22.335
140 HB2 HIS 16 2HB HIS 16 5.284 9.840 -20.191
141 HB3 HIS 16 3HB HIS 16 6.511 10.863 -20.934
142 HD1 HIS 16 HD1 HIS 16 5.796 12.242 -23.024
143 HD2 HIS 16 HD2 HIS 16 2.718 10.104 -21.231
144 HE1 HIS 16 HE1 HIS 16 3.673 13.175 -23.998
145 H ARG 17 H ARG 17 8.755 9.305 -21.773
146 HA ARG 17 HA ARG 17 9.087 10.844 -24.149
147 HB2 ARG 17 2HB ARG 17 11.071 9.486 -22.322
148 HB3 ARG 17 3HB ARG 17 11.541 10.482 -23.693
149 HG2 ARG 17 2HG ARG 17 9.931 11.400 -21.319
150 HG3 ARG 17 3HG ARG 17 11.641 11.729 -21.605
151 HD2 ARG 17 2HD ARG 17 10.652 12.644 -23.908
152 HD3 ARG 17 3HD ARG 17 9.235 12.891 -22.887
153 HE ARG 17 HE ARG 17 11.275 13.968 -21.449
154 HH11 ARG 17 1HH1 ARG 17 10.073 14.422 -24.684
155 HH12 ARG 17 2HH1 ARG 17 10.552 16.085 -24.769
156 HH21 ARG 17 2HH2 ARG 17 11.598 17.070 -22.985
157 HH22 ARG 17 1HH2 ARG 17 11.911 16.157 -21.548
158 H LEU 18 H LEU 18 9.630 7.461 -23.295
159 HA LEU 18 HA LEU 18 10.728 6.805 -25.875
160 HB2 LEU 18 2HB LEU 18 11.042 4.660 -25.056
161 HB3 LEU 18 3HB LEU 18 11.220 5.675 -23.626
162 HG LEU 18 HG LEU 18 8.633 5.086 -23.376
163 HD11 LEU 18 1HD1 LEU 18 9.124 2.391 -24.049
164 HD12 LEU 18 2HD1 LEU 18 9.512 3.361 -25.470
165 HD13 LEU 18 3HD1 LEU 18 7.917 3.484 -24.727
166 HD21 LEU 18 3HD2 LEU 18 10.640 3.012 -22.573
167 HD22 LEU 18 1HD2 LEU 18 9.246 3.621 -21.680
168 HD23 LEU 18 2HD2 LEU 18 10.679 4.631 -21.874
169 H ALA 19 H ALA 19 7.599 6.859 -24.391
170 HA ALA 19 HA ALA 19 6.231 5.039 -26.024
171 HB1 ALA 19 1HB ALA 19 4.903 5.633 -24.288
172 HB2 ALA 19 2HB ALA 19 5.470 7.304 -24.280
173 HB3 ALA 19 3HB ALA 19 4.282 6.781 -25.474
174 H ARG 20 H ARG 20 7.388 8.244 -26.640
175 HA ARG 20 HA ARG 20 5.678 8.843 -28.837
176 HB2 ARG 20 2HB ARG 20 6.737 10.673 -27.742
177 HB3 ARG 20 3HB ARG 20 8.331 9.956 -27.937
178 HG2 ARG 20 2HG ARG 20 6.982 10.382 -30.474
179 HG3 ARG 20 3HG ARG 20 7.198 11.871 -29.551
180 HD2 ARG 20 2HD ARG 20 9.628 10.747 -29.232
181 HD3 ARG 20 3HD ARG 20 9.196 10.112 -30.820
182 HE ARG 20 HE ARG 20 8.649 12.810 -30.914
183 HH11 ARG 20 1HH1 ARG 20 11.441 10.811 -30.336
184 HH12 ARG 20 2HH1 ARG 20 12.563 11.966 -30.974
185 HH21 ARG 20 2HH2 ARG 20 11.808 13.974 -31.781
186 HH22 ARG 20 1HH2 ARG 20 10.117 14.339 -31.756
187 H ARG 21 H ARG 21 8.871 7.371 -28.526
188 HA ARG 21 HA ARG 21 9.318 7.210 -31.351
189 HB2 ARG 21 2HB ARG 21 11.173 7.304 -29.727
190 HB3 ARG 21 3HB ARG 21 10.683 5.740 -29.089
191 HG2 ARG 21 2HG ARG 21 12.413 5.177 -30.497
192 HG3 ARG 21 3HG ARG 21 11.002 4.924 -31.527
193 HD2 ARG 21 2HD ARG 21 11.561 7.551 -31.987
194 HD3 ARG 21 3HD ARG 21 13.174 6.883 -31.740
195 HE ARG 21 HE ARG 21 11.631 5.292 -33.530
196 HH11 ARG 21 1HH1 ARG 21 13.521 8.207 -33.302
197 HH12 ARG 21 2HH1 ARG 21 13.950 8.215 -34.980
198 HH21 ARG 21 2HH2 ARG 21 13.192 6.557 -36.367
199 HH22 ARG 21 1HH2 ARG 21 12.190 5.292 -35.742
200 H ASN 22 H ASN 22 7.109 6.236 -31.697
201 HA ASN 22 HA ASN 22 7.261 3.301 -31.462
202 HB2 ASN 22 2HB ASN 22 5.046 5.195 -30.951
203 HB3 ASN 22 3HB ASN 22 4.612 3.730 -31.826
204 HD21 ASN 22 2HD2 ASN 22 4.067 2.602 -28.518
205 HD22 ASN 22 1HD2 ASN 22 3.320 3.387 -29.864
206 H ALA 23 H ALA 23 5.902 5.944 -33.421
207 HA ALA 23 HA ALA 23 5.121 4.504 -35.644
208 HB1 ALA 23 1HB ALA 23 6.062 7.311 -35.259
209 HB2 ALA 23 2HB ALA 23 5.759 6.704 -36.887
210 HB3 ALA 23 3HB ALA 23 4.461 6.711 -35.693
211 H GLY 24 H GLY 24 8.332 5.428 -34.631
212 HA2 GLY 24 2HA GLY 24 9.426 4.306 -37.132
213 HA3 GLY 24 3HA GLY 24 10.266 5.453 -36.099
214 H ALA 25 H ALA 25 8.525 2.893 -34.583
215 HA ALA 25 HA ALA 25 11.082 1.564 -33.965
216 HB1 ALA 25 1HB ALA 25 9.717 2.729 -32.112
217 HB2 ALA 25 2HB ALA 25 8.645 1.334 -32.241
218 HB3 ALA 25 3HB ALA 25 10.341 1.106 -31.813
219 H THR 26 H THR 26 9.580 0.946 -36.298
220 HA THR 26 HA THR 26 8.567 -1.743 -35.640
221 HB THR 26 HB THR 26 6.838 -0.298 -36.621
222 HG1 THR 26 HG1 THR 26 6.438 -1.737 -38.504
223 HG21 THR 26 3HG2 THR 26 7.005 0.572 -38.846
224 HG22 THR 26 1HG2 THR 26 8.556 -0.226 -39.100
225 HG23 THR 26 2HG2 THR 26 8.429 1.108 -37.954
226 H LEU 27 H LEU 27 10.707 0.140 -37.657
227 HA LEU 27 HA LEU 27 11.406 -1.671 -39.617
228 HB2 LEU 27 2HB LEU 27 12.592 0.678 -38.390
229 HB3 LEU 27 3HB LEU 27 13.808 -0.476 -38.935
230 HG LEU 27 HG LEU 27 12.522 -0.413 -41.179
231 HD11 LEU 27 1HD1 LEU 27 11.428 1.985 -39.750
232 HD12 LEU 27 2HD1 LEU 27 10.564 0.747 -40.660
233 HD13 LEU 27 3HD1 LEU 27 11.557 1.932 -41.508
234 HD21 LEU 27 3HD2 LEU 27 14.668 0.422 -41.259
235 HD22 LEU 27 1HD2 LEU 27 14.347 1.660 -40.045
236 HD23 LEU 27 2HD2 LEU 27 13.721 1.848 -41.683
237 H ARG 28 H ARG 28 13.560 -1.095 -36.849
238 HA ARG 28 HA ARG 28 14.983 -3.464 -37.073
239 HB2 ARG 28 2HB ARG 28 15.472 -1.385 -35.637
240 HB3 ARG 28 3HB ARG 28 14.453 -2.146 -34.421
241 HG2 ARG 28 2HG ARG 28 16.110 -4.188 -34.984
242 HG3 ARG 28 3HG ARG 28 17.178 -2.820 -35.303
243 HD2 ARG 28 2HD ARG 28 17.547 -3.182 -33.058
244 HD3 ARG 28 3HD ARG 28 16.288 -1.949 -33.015
245 HE ARG 28 HE ARG 28 14.880 -3.475 -32.058
246 HH11 ARG 28 1HH1 ARG 28 17.575 -5.156 -33.484
247 HH12 ARG 28 2HH1 ARG 28 17.134 -6.695 -32.821
248 HH21 ARG 28 2HH2 ARG 28 15.264 -6.887 -31.511
249 HH22 ARG 28 1HH2 ARG 28 14.289 -5.496 -31.179
Start of MODEL 2
1 H1 LYS 1 H LYS 1 -0.256 0.687 0.685
2 HA LYS 1 HA LYS 1 2.355 1.085 1.244
3 HB2 LYS 1 2HB LYS 1 2.059 -1.170 -0.733
4 HB3 LYS 1 3HB LYS 1 3.512 -0.182 -0.653
5 HG2 LYS 1 2HG LYS 1 2.648 -1.253 1.929
6 HG3 LYS 1 3HG LYS 1 3.096 -2.479 0.742
7 HD2 LYS 1 2HD LYS 1 4.969 -0.264 0.780
8 HD3 LYS 1 3HD LYS 1 4.823 -1.034 2.362
9 HE2 LYS 1 2HE LYS 1 5.340 -3.187 1.410
10 HE3 LYS 1 3HE LYS 1 5.338 -2.509 -0.218
11 HZ1 LYS 1 3HZ LYS 1 7.543 -2.420 0.172
12 HZ2 LYS 1 1HZ LYS 1 7.375 -2.356 1.854
13 HZ3 LYS 1 2HZ LYS 1 7.150 -0.959 0.928
14 H TYR 2 H TYR 2 0.925 2.976 0.593
15 HA TYR 2 HA TYR 2 0.605 3.443 -2.230
16 HB2 TYR 2 2HB TYR 2 -0.209 4.749 0.262
17 HB3 TYR 2 3HB TYR 2 0.234 5.883 -1.008
18 HD1 TYR 2 HD1 TYR 2 -1.695 2.683 -0.755
19 HD2 TYR 2 HD2 TYR 2 -1.524 6.654 -2.272
20 HE1 TYR 2 HE1 TYR 2 -3.906 2.377 -1.789
21 HE2 TYR 2 HE2 TYR 2 -3.735 6.359 -3.309
22 HH TYR 2 HH TYR 2 -5.082 3.838 -4.081
23 H GLU 3 H GLU 3 3.066 3.926 0.091
24 HA GLU 3 HA GLU 3 4.352 6.202 -0.918
25 HB2 GLU 3 2HB GLU 3 6.335 5.401 0.252
26 HB3 GLU 3 3HB GLU 3 4.905 5.189 1.251
27 HG2 GLU 3 2HG GLU 3 5.106 2.962 1.291
28 HG3 GLU 3 3HG GLU 3 5.576 2.871 -0.405
29 H ILE 4 H ILE 4 4.063 3.042 -2.198
30 HA ILE 4 HA ILE 4 6.435 3.141 -3.829
31 HB ILE 4 HB ILE 4 5.380 1.006 -3.017
32 HG12 ILE 4 2HG1 ILE 4 5.752 1.309 -6.005
33 HG13 ILE 4 3HG1 ILE 4 7.033 1.034 -4.830
34 HG21 ILE 4 1HG2 ILE 4 3.056 2.011 -3.894
35 HG22 ILE 4 2HG2 ILE 4 3.499 1.036 -5.294
36 HG23 ILE 4 3HG2 ILE 4 3.350 0.283 -3.706
37 HD11 ILE 4 3HD1 ILE 4 6.579 -1.035 -5.877
38 HD12 ILE 4 1HD1 ILE 4 5.899 -1.124 -4.253
39 HD13 ILE 4 2HD1 ILE 4 4.842 -0.852 -5.638
40 H THR 5 H THR 5 3.176 4.219 -4.081
41 HA THR 5 HA THR 5 3.055 4.310 -6.941
42 HB THR 5 HB THR 5 0.987 5.472 -6.695
43 HG1 THR 5 HG1 THR 5 0.373 6.403 -4.714
44 HG21 THR 5 3HG2 THR 5 -0.235 4.055 -5.099
45 HG22 THR 5 1HG2 THR 5 1.296 3.527 -4.404
46 HG23 THR 5 2HG2 THR 5 0.897 3.115 -6.071
47 H THR 6 H THR 6 3.866 6.598 -4.382
48 HA THR 6 HA THR 6 4.107 8.847 -6.135
49 HB THR 6 HB THR 6 3.613 9.193 -3.773
50 HG1 THR 6 HG1 THR 6 4.624 10.957 -4.549
51 HG21 THR 6 3HG2 THR 6 6.401 8.167 -3.230
52 HG22 THR 6 1HG2 THR 6 4.917 7.272 -2.904
53 HG23 THR 6 2HG2 THR 6 5.250 8.772 -2.039
54 H ILE 7 H ILE 7 6.332 6.483 -4.767
55 HA ILE 7 HA ILE 7 8.699 7.779 -5.703
56 HB ILE 7 HB ILE 7 8.586 6.121 -3.795
57 HG12 ILE 7 2HG1 ILE 7 10.597 5.610 -5.998
58 HG13 ILE 7 3HG1 ILE 7 10.709 6.867 -4.772
59 HG21 ILE 7 1HG2 ILE 7 7.214 4.464 -5.076
60 HG22 ILE 7 2HG2 ILE 7 8.665 4.068 -5.996
61 HG23 ILE 7 3HG2 ILE 7 8.619 3.782 -4.257
62 HD11 ILE 7 3HD1 ILE 7 10.436 4.629 -3.249
63 HD12 ILE 7 1HD1 ILE 7 11.366 4.029 -4.622
64 HD13 ILE 7 2HD1 ILE 7 11.968 5.391 -3.676
65 H HIS 8 H HIS 8 6.490 5.402 -7.004
66 HA HIS 8 HA HIS 8 8.210 4.688 -9.205
67 HB2 HIS 8 2HB HIS 8 6.482 3.159 -8.151
68 HB3 HIS 8 3HB HIS 8 5.253 4.134 -8.952
69 HD1 HIS 8 HD1 HIS 8 8.466 2.439 -10.118
70 HD2 HIS 8 HD2 HIS 8 4.491 2.917 -11.228
71 HE1 HIS 8 HE1 HIS 8 8.209 1.158 -12.267
72 H ASN 9 H ASN 9 5.814 7.080 -8.544
73 HA ASN 9 HA ASN 9 5.223 7.662 -11.301
74 HB2 ASN 9 2HB ASN 9 4.399 8.722 -8.655
75 HB3 ASN 9 3HB ASN 9 4.326 9.848 -10.008
76 HD21 ASN 9 2HD2 ASN 9 1.198 8.670 -10.834
77 HD22 ASN 9 1HD2 ASN 9 2.259 9.998 -10.526
78 H LEU 10 H LEU 10 7.405 8.857 -8.838
79 HA LEU 10 HA LEU 10 8.163 11.273 -10.029
80 HB2 LEU 10 2HB LEU 10 9.870 11.354 -8.490
81 HB3 LEU 10 3HB LEU 10 8.718 10.277 -7.704
82 HG LEU 10 HG LEU 10 10.221 8.435 -8.902
83 HD11 LEU 10 1HD1 LEU 10 12.640 9.392 -8.410
84 HD12 LEU 10 2HD1 LEU 10 11.860 10.908 -8.860
85 HD13 LEU 10 3HD1 LEU 10 11.875 9.554 -9.990
86 HD21 LEU 10 3HD2 LEU 10 11.567 9.436 -6.512
87 HD22 LEU 10 1HD2 LEU 10 10.762 7.893 -6.802
88 HD23 LEU 10 2HD2 LEU 10 9.816 9.308 -6.339
89 H ALA 11 H ALA 11 9.018 7.989 -10.760
90 HA ALA 11 HA ALA 11 10.913 8.956 -12.801
91 HB1 ALA 11 1HB ALA 11 11.003 6.122 -11.939
92 HB2 ALA 11 2HB ALA 11 12.310 7.204 -12.424
93 HB3 ALA 11 3HB ALA 11 11.607 7.336 -10.812
94 H ARG 12 H ARG 12 8.343 9.092 -13.532
95 HA ARG 12 HA ARG 12 7.609 6.622 -14.896
96 HB2 ARG 12 2HB ARG 12 5.502 7.647 -15.336
97 HB3 ARG 12 3HB ARG 12 5.919 8.026 -13.671
98 HG2 ARG 12 2HG ARG 12 6.934 10.191 -14.825
99 HG3 ARG 12 3HG ARG 12 5.701 9.803 -16.027
100 HD2 ARG 12 2HD ARG 12 4.846 9.704 -13.204
101 HD3 ARG 12 3HD ARG 12 5.239 11.301 -13.839
102 HE ARG 12 HE ARG 12 3.573 10.031 -15.680
103 HH11 ARG 12 1HH1 ARG 12 3.444 11.261 -12.426
104 HH12 ARG 12 2HH1 ARG 12 1.752 11.627 -12.492
105 HH21 ARG 12 2HH2 ARG 12 0.559 11.198 -14.400
106 HH22 ARG 12 1HH2 ARG 12 1.345 10.509 -15.780
107 H LYS 13 H LYS 13 8.984 9.736 -15.550
108 HA LYS 13 HA LYS 13 8.469 9.954 -18.293
109 HB2 LYS 13 2HB LYS 13 10.488 11.416 -18.339
110 HB3 LYS 13 3HB LYS 13 9.343 11.834 -17.071
111 HG2 LYS 13 2HG LYS 13 11.092 10.031 -15.877
112 HG3 LYS 13 3HG LYS 13 12.114 11.072 -16.871
113 HD2 LYS 13 2HD LYS 13 10.012 12.358 -15.209
114 HD3 LYS 13 3HD LYS 13 11.440 11.721 -14.389
115 HE2 LYS 13 2HE LYS 13 12.875 13.059 -15.841
116 HE3 LYS 13 3HE LYS 13 11.458 13.675 -16.689
117 HZ1 LYS 13 3HZ LYS 13 10.716 14.705 -14.640
118 HZ2 LYS 13 1HZ LYS 13 12.270 15.243 -15.035
119 HZ3 LYS 13 2HZ LYS 13 12.058 14.096 -13.810
120 H LEU 14 H LEU 14 10.864 8.112 -16.524
121 HA LEU 14 HA LEU 14 12.529 7.476 -18.725
122 HB2 LEU 14 2HB LEU 14 13.564 5.895 -17.305
123 HB3 LEU 14 3HB LEU 14 13.128 7.276 -16.301
124 HG LEU 14 HG LEU 14 10.984 5.764 -15.845
125 HD11 LEU 14 1HD1 LEU 14 11.147 3.632 -16.429
126 HD12 LEU 14 2HD1 LEU 14 12.724 3.492 -15.653
127 HD13 LEU 14 3HD1 LEU 14 12.612 4.031 -17.328
128 HD21 LEU 14 3HD2 LEU 14 12.813 6.693 -14.291
129 HD22 LEU 14 1HD2 LEU 14 13.532 5.088 -14.419
130 HD23 LEU 14 2HD2 LEU 14 11.906 5.275 -13.763
131 H THR 15 H THR 15 9.502 6.243 -17.604
132 HA THR 15 HA THR 15 9.667 3.736 -19.002
133 HB THR 15 HB THR 15 7.680 5.094 -17.302
134 HG1 THR 15 HG1 THR 15 8.647 3.388 -16.367
135 HG21 THR 15 3HG2 THR 15 6.844 3.275 -19.557
136 HG22 THR 15 1HG2 THR 15 6.257 4.900 -19.206
137 HG23 THR 15 2HG2 THR 15 5.854 3.565 -18.126
138 H HIS 16 H HIS 16 8.549 6.958 -19.704
139 HA HIS 16 HA HIS 16 7.059 6.188 -22.049
140 HB2 HIS 16 2HB HIS 16 7.360 8.550 -20.449
141 HB3 HIS 16 3HB HIS 16 7.663 8.954 -22.136
142 HD1 HIS 16 HD1 HIS 16 5.064 9.476 -20.121
143 HD2 HIS 16 HD2 HIS 16 5.343 7.102 -23.519
144 HE1 HIS 16 HE1 HIS 16 2.708 9.232 -20.967
145 H ARG 17 H ARG 17 10.285 7.298 -21.303
146 HA ARG 17 HA ARG 17 11.023 7.959 -23.975
147 HB2 ARG 17 2HB ARG 17 12.653 7.358 -21.506
148 HB3 ARG 17 3HB ARG 17 13.369 7.827 -23.042
149 HG2 ARG 17 2HG ARG 17 11.432 9.475 -21.430
150 HG3 ARG 17 3HG ARG 17 13.177 9.721 -21.524
151 HD2 ARG 17 2HD ARG 17 12.293 9.627 -24.173
152 HD3 ARG 17 3HD ARG 17 11.098 10.600 -23.316
153 HE ARG 17 HE ARG 17 13.664 11.461 -22.582
154 HH11 ARG 17 1HH1 ARG 17 11.534 11.444 -25.336
155 HH12 ARG 17 2HH1 ARG 17 12.192 12.894 -26.018
156 HH21 ARG 17 2HH2 ARG 17 13.902 13.989 -24.957
157 HH22 ARG 17 1HH2 ARG 17 14.539 13.371 -23.471
158 H LEU 18 H LEU 18 11.338 5.075 -21.962
159 HA LEU 18 HA LEU 18 12.808 3.622 -23.968
160 HB2 LEU 18 2HB LEU 18 12.934 1.886 -22.438
161 HB3 LEU 18 3HB LEU 18 12.914 3.327 -21.422
162 HG LEU 18 HG LEU 18 10.305 2.782 -21.395
163 HD11 LEU 18 1HD1 LEU 18 9.721 0.754 -22.074
164 HD12 LEU 18 2HD1 LEU 18 10.978 0.009 -21.087
165 HD13 LEU 18 3HD1 LEU 18 11.348 0.550 -22.724
166 HD21 LEU 18 3HD2 LEU 18 12.079 2.916 -19.528
167 HD22 LEU 18 1HD2 LEU 18 12.108 1.156 -19.641
168 HD23 LEU 18 2HD2 LEU 18 10.607 1.988 -19.232
169 H ALA 19 H ALA 19 9.486 4.066 -23.076
170 HA ALA 19 HA ALA 19 8.366 1.765 -24.237
171 HB1 ALA 19 1HB ALA 19 6.723 2.734 -23.061
172 HB2 ALA 19 2HB ALA 19 7.392 4.353 -23.272
173 HB3 ALA 19 3HB ALA 19 6.410 3.632 -24.547
174 H ARG 20 H ARG 20 9.587 4.698 -25.626
175 HA ARG 20 HA ARG 20 8.225 4.560 -28.110
176 HB2 ARG 20 2HB ARG 20 10.228 6.221 -26.879
177 HB3 ARG 20 3HB ARG 20 10.713 5.820 -28.521
178 HG2 ARG 20 2HG ARG 20 9.513 7.763 -28.818
179 HG3 ARG 20 3HG ARG 20 8.299 6.523 -29.142
180 HD2 ARG 20 2HD ARG 20 7.082 7.766 -27.696
181 HD3 ARG 20 3HD ARG 20 7.948 6.798 -26.503
182 HE ARG 20 HE ARG 20 9.112 8.673 -25.866
183 HH11 ARG 20 1HH1 ARG 20 7.434 9.299 -28.851
184 HH12 ARG 20 2HH1 ARG 20 7.760 11.000 -28.829
185 HH21 ARG 20 2HH2 ARG 20 8.964 11.916 -27.108
186 HH22 ARG 20 1HH2 ARG 20 9.548 10.911 -25.825
187 H ARG 21 H ARG 21 8.353 2.667 -29.194
188 HA ARG 21 HA ARG 21 10.985 1.442 -29.595
189 HB2 ARG 21 2HB ARG 21 9.741 -0.513 -30.407
190 HB3 ARG 21 3HB ARG 21 9.219 -0.041 -28.796
191 HG2 ARG 21 2HG ARG 21 7.587 1.309 -30.688
192 HG3 ARG 21 3HG ARG 21 7.655 -0.400 -31.122
193 HD2 ARG 21 2HD ARG 21 6.960 -1.030 -28.892
194 HD3 ARG 21 3HD ARG 21 6.999 0.655 -28.375
195 HE ARG 21 HE ARG 21 4.931 0.936 -29.297
196 HH11 ARG 21 1HH1 ARG 21 6.383 -1.924 -30.652
197 HH12 ARG 21 2HH1 ARG 21 4.958 -2.395 -31.517
198 HH21 ARG 21 2HH2 ARG 21 3.063 -1.115 -31.393
199 HH22 ARG 21 1HH2 ARG 21 3.049 0.325 -30.432
200 H ASN 22 H ASN 22 10.172 3.899 -30.952
201 HA ASN 22 HA ASN 22 9.855 3.018 -33.727
202 HB2 ASN 22 2HB ASN 22 9.771 5.797 -32.531
203 HB3 ASN 22 3HB ASN 22 9.476 5.407 -34.223
204 HD21 ASN 22 2HD2 ASN 22 6.392 3.648 -33.393
205 HD22 ASN 22 1HD2 ASN 22 7.870 3.324 -34.228
206 H ALA 23 H ALA 23 12.344 2.709 -32.138
207 HA ALA 23 HA ALA 23 14.229 4.611 -33.172
208 HB1 ALA 23 1HB ALA 23 15.910 3.284 -32.081
209 HB2 ALA 23 2HB ALA 23 14.524 3.447 -31.003
210 HB3 ALA 23 3HB ALA 23 14.782 1.942 -31.885
211 H GLY 24 H GLY 24 13.040 1.462 -34.119
212 HA2 GLY 24 2HA GLY 24 15.022 1.357 -36.294
213 HA3 GLY 24 3HA GLY 24 14.083 -0.009 -35.708
214 H ALA 25 H ALA 25 12.579 3.080 -36.251
215 HA ALA 25 HA ALA 25 11.224 1.946 -38.610
216 HB1 ALA 25 1HB ALA 25 10.042 4.074 -36.855
217 HB2 ALA 25 2HB ALA 25 9.228 2.996 -37.989
218 HB3 ALA 25 3HB ALA 25 9.874 2.359 -36.477
219 H THR 26 H THR 26 13.689 3.371 -38.756
220 HA THR 26 HA THR 26 13.376 6.097 -39.364
221 HB THR 26 HB THR 26 15.582 5.157 -38.976
222 HG1 THR 26 HG1 THR 26 15.654 6.975 -40.249
223 HG21 THR 26 3HG2 THR 26 15.421 3.785 -41.648
224 HG22 THR 26 1HG2 THR 26 15.008 2.959 -40.146
225 HG23 THR 26 2HG2 THR 26 16.637 3.591 -40.385
226 H LEU 27 H LEU 27 12.818 3.206 -41.237
227 HA LEU 27 HA LEU 27 12.641 4.564 -43.762
228 HB2 LEU 27 2HB LEU 27 11.668 1.820 -42.980
229 HB3 LEU 27 3HB LEU 27 11.846 2.432 -44.623
230 HG LEU 27 HG LEU 27 14.339 2.599 -43.166
231 HD11 LEU 27 1HD1 LEU 27 13.132 -0.147 -43.465
232 HD12 LEU 27 2HD1 LEU 27 13.406 0.688 -41.937
233 HD13 LEU 27 3HD1 LEU 27 14.776 0.227 -42.947
234 HD21 LEU 27 3HD2 LEU 27 13.834 2.642 -45.675
235 HD22 LEU 27 1HD2 LEU 27 13.709 0.887 -45.548
236 HD23 LEU 27 2HD2 LEU 27 15.221 1.695 -45.134
237 H ARG 28 H ARG 28 10.446 3.686 -41.200
238 HA ARG 28 HA ARG 28 8.011 3.867 -42.565
239 HB2 ARG 28 2HB ARG 28 8.742 3.315 -40.001
240 HB3 ARG 28 3HB ARG 28 8.030 4.911 -39.809
241 HG2 ARG 28 2HG ARG 28 6.010 4.017 -39.835
242 HG3 ARG 28 3HG ARG 28 6.303 3.385 -41.457
243 HD2 ARG 28 2HD ARG 28 7.362 1.962 -39.044
244 HD3 ARG 28 3HD ARG 28 5.688 1.743 -39.553
245 HE ARG 28 HE ARG 28 7.993 0.603 -40.758
246 HH11 ARG 28 1HH1 ARG 28 4.845 1.900 -41.481
247 HH12 ARG 28 2HH1 ARG 28 4.647 0.963 -42.925
248 HH21 ARG 28 2HH2 ARG 28 6.297 -0.479 -43.593
249 HH22 ARG 28 1HH2 ARG 28 7.745 -0.635 -42.657
Start of MODEL 3
1 H1 LYS 1 H LYS 1 3.353 -3.143 -2.213
2 HA LYS 1 HA LYS 1 4.600 -2.502 -4.014
3 HB2 LYS 1 2HB LYS 1 2.027 -3.156 -5.428
4 HB3 LYS 1 3HB LYS 1 3.386 -2.449 -6.292
5 HG2 LYS 1 2HG LYS 1 4.774 -4.372 -5.418
6 HG3 LYS 1 3HG LYS 1 3.255 -5.107 -4.900
7 HD2 LYS 1 2HD LYS 1 2.545 -5.480 -7.052
8 HD3 LYS 1 3HD LYS 1 3.493 -4.144 -7.710
9 HE2 LYS 1 2HE LYS 1 5.550 -5.511 -7.171
10 HE3 LYS 1 3HE LYS 1 4.463 -6.861 -6.850
11 HZ1 LYS 1 3HZ LYS 1 5.495 -6.560 -9.193
12 HZ2 LYS 1 1HZ LYS 1 4.262 -5.421 -9.405
13 HZ3 LYS 1 2HZ LYS 1 3.876 -7.029 -9.048
14 H TYR 2 H TYR 2 3.176 -0.655 -2.304
15 HA TYR 2 HA TYR 2 2.212 1.495 -3.957
16 HB2 TYR 2 2HB TYR 2 1.829 0.801 -1.336
17 HB3 TYR 2 3HB TYR 2 2.961 2.140 -1.187
18 HD1 TYR 2 HD1 TYR 2 -0.350 1.167 -2.530
19 HD2 TYR 2 HD2 TYR 2 2.253 4.375 -1.513
20 HE1 TYR 2 HE1 TYR 2 -2.205 2.756 -2.817
21 HE2 TYR 2 HE2 TYR 2 0.405 5.973 -1.796
22 HH TYR 2 HH TYR 2 -2.546 5.414 -1.665
23 H GLU 3 H GLU 3 5.254 0.444 -2.805
24 HA GLU 3 HA GLU 3 6.527 3.031 -2.909
25 HB2 GLU 3 2HB GLU 3 7.728 0.263 -2.711
26 HB3 GLU 3 3HB GLU 3 8.606 1.773 -2.510
27 HG2 GLU 3 2HG GLU 3 6.307 0.920 -0.770
28 HG3 GLU 3 3HG GLU 3 8.003 0.630 -0.386
29 H ILE 4 H ILE 4 6.232 0.200 -4.974
30 HA ILE 4 HA ILE 4 8.081 1.212 -6.942
31 HB ILE 4 HB ILE 4 7.743 -1.227 -6.550
32 HG12 ILE 4 2HG1 ILE 4 7.133 -0.252 -9.349
33 HG13 ILE 4 3HG1 ILE 4 8.737 -0.396 -8.638
34 HG21 ILE 4 1HG2 ILE 4 5.299 -1.133 -6.241
35 HG22 ILE 4 2HG2 ILE 4 5.115 -0.791 -7.961
36 HG23 ILE 4 3HG2 ILE 4 5.785 -2.336 -7.436
37 HD11 ILE 4 3HD1 ILE 4 7.122 -2.380 -9.951
38 HD12 ILE 4 1HD1 ILE 4 8.827 -2.429 -9.503
39 HD13 ILE 4 2HD1 ILE 4 7.594 -2.911 -8.337
40 H THR 5 H THR 5 4.656 1.310 -6.365
41 HA THR 5 HA THR 5 3.937 2.100 -9.029
42 HB THR 5 HB THR 5 2.409 0.967 -7.304
43 HG1 THR 5 HG1 THR 5 1.764 3.119 -8.997
44 HG21 THR 5 3HG2 THR 5 1.708 3.743 -6.450
45 HG22 THR 5 1HG2 THR 5 3.006 2.884 -5.621
46 HG23 THR 5 2HG2 THR 5 1.378 2.206 -5.651
47 H THR 6 H THR 6 4.830 3.722 -6.071
48 HA THR 6 HA THR 6 3.972 6.324 -6.971
49 HB THR 6 HB THR 6 3.978 5.787 -4.572
50 HG1 THR 6 HG1 THR 6 4.182 7.908 -4.639
51 HG21 THR 6 3HG2 THR 6 6.067 5.594 -3.340
52 HG22 THR 6 1HG2 THR 6 6.987 5.742 -4.836
53 HG23 THR 6 2HG2 THR 6 5.967 4.329 -4.565
54 H ILE 7 H ILE 7 6.967 4.493 -6.841
55 HA ILE 7 HA ILE 7 8.653 6.686 -7.566
56 HB ILE 7 HB ILE 7 9.416 4.602 -6.363
57 HG12 ILE 7 2HG1 ILE 7 10.901 5.387 -8.880
58 HG13 ILE 7 3HG1 ILE 7 10.994 6.215 -7.330
59 HG21 ILE 7 1HG2 ILE 7 9.992 2.653 -7.692
60 HG22 ILE 7 2HG2 ILE 7 8.264 2.986 -7.804
61 HG23 ILE 7 3HG2 ILE 7 9.334 3.422 -9.136
62 HD11 ILE 7 3HD1 ILE 7 11.996 3.473 -8.024
63 HD12 ILE 7 1HD1 ILE 7 12.928 4.880 -7.514
64 HD13 ILE 7 2HD1 ILE 7 11.866 4.062 -6.367
65 H HIS 8 H HIS 8 6.861 4.239 -9.302
66 HA HIS 8 HA HIS 8 8.146 4.772 -11.826
67 HB2 HIS 8 2HB HIS 8 7.007 2.572 -11.023
68 HB3 HIS 8 3HB HIS 8 5.517 3.350 -11.546
69 HD1 HIS 8 HD1 HIS 8 4.931 3.052 -13.936
70 HD2 HIS 8 HD2 HIS 8 8.972 2.393 -13.230
71 HE1 HIS 8 HE1 HIS 8 5.875 2.259 -16.127
72 H ASN 9 H ASN 9 5.420 5.971 -10.065
73 HA ASN 9 HA ASN 9 4.122 7.160 -12.342
74 HB2 ASN 9 2HB ASN 9 2.775 6.487 -10.437
75 HB3 ASN 9 3HB ASN 9 3.699 7.541 -9.371
76 HD21 ASN 9 2HD2 ASN 9 1.127 9.838 -9.789
77 HD22 ASN 9 1HD2 ASN 9 1.951 8.745 -8.735
78 H LEU 10 H LEU 10 6.501 8.106 -9.989
79 HA LEU 10 HA LEU 10 6.301 10.915 -10.370
80 HB2 LEU 10 2HB LEU 10 8.360 9.087 -9.201
81 HB3 LEU 10 3HB LEU 10 8.730 10.792 -9.455
82 HG LEU 10 HG LEU 10 6.405 9.823 -7.800
83 HD11 LEU 10 1HD1 LEU 10 9.193 9.743 -7.191
84 HD12 LEU 10 2HD1 LEU 10 7.820 9.293 -6.181
85 HD13 LEU 10 3HD1 LEU 10 8.409 10.955 -6.178
86 HD21 LEU 10 3HD2 LEU 10 7.688 12.483 -8.318
87 HD22 LEU 10 1HD2 LEU 10 6.763 12.183 -6.847
88 HD23 LEU 10 2HD2 LEU 10 5.986 12.029 -8.423
89 H ALA 11 H ALA 11 7.863 8.354 -12.102
90 HA ALA 11 HA ALA 11 9.462 10.232 -13.671
91 HB1 ALA 11 1HB ALA 11 9.475 7.281 -13.287
92 HB2 ALA 11 2HB ALA 11 10.126 7.943 -14.788
93 HB3 ALA 11 3HB ALA 11 10.809 8.434 -13.238
94 H ARG 12 H ARG 12 6.485 10.039 -13.806
95 HA ARG 12 HA ARG 12 5.548 8.748 -16.060
96 HB2 ARG 12 2HB ARG 12 3.693 10.220 -16.011
97 HB3 ARG 12 3HB ARG 12 4.214 10.047 -14.341
98 HG2 ARG 12 2HG ARG 12 5.043 12.346 -16.090
99 HG3 ARG 12 3HG ARG 12 3.609 12.373 -15.063
100 HD2 ARG 12 2HD ARG 12 5.343 11.614 -13.223
101 HD3 ARG 12 3HD ARG 12 6.490 12.389 -14.316
102 HE ARG 12 HE ARG 12 5.696 14.409 -13.622
103 HH11 ARG 12 1HH1 ARG 12 3.313 11.974 -12.904
104 HH12 ARG 12 2HH1 ARG 12 2.267 13.062 -12.054
105 HH21 ARG 12 2HH2 ARG 12 2.844 15.268 -11.828
106 HH22 ARG 12 1HH2 ARG 12 4.327 15.851 -12.504
107 H LYS 13 H LYS 13 7.481 11.633 -15.816
108 HA LYS 13 HA LYS 13 7.073 12.434 -18.553
109 HB2 LYS 13 2HB LYS 13 8.788 14.122 -18.090
110 HB3 LYS 13 3HB LYS 13 7.557 14.106 -16.834
111 HG2 LYS 13 2HG LYS 13 9.229 12.507 -15.623
112 HG3 LYS 13 3HG LYS 13 10.407 13.249 -16.707
113 HD2 LYS 13 2HD LYS 13 8.536 14.855 -14.980
114 HD3 LYS 13 3HD LYS 13 10.133 14.337 -14.436
115 HE2 LYS 13 2HE LYS 13 11.211 15.810 -15.775
116 HE3 LYS 13 3HE LYS 13 10.023 15.667 -17.069
117 HZ1 LYS 13 3HZ LYS 13 10.274 17.758 -15.332
118 HZ2 LYS 13 1HZ LYS 13 8.933 16.912 -14.742
119 HZ3 LYS 13 2HZ LYS 13 8.953 17.456 -16.344
120 H LEU 14 H LEU 14 9.425 10.572 -16.744
121 HA LEU 14 HA LEU 14 11.424 10.479 -18.750
122 HB2 LEU 14 2HB LEU 14 10.872 8.468 -16.575
123 HB3 LEU 14 3HB LEU 14 12.378 8.662 -17.470
124 HG LEU 14 HG LEU 14 11.203 10.647 -15.524
125 HD11 LEU 14 1HD1 LEU 14 12.714 9.921 -13.955
126 HD12 LEU 14 2HD1 LEU 14 13.797 9.223 -15.159
127 HD13 LEU 14 3HD1 LEU 14 12.292 8.402 -14.746
128 HD21 LEU 14 3HD2 LEU 14 12.403 12.089 -16.769
129 HD22 LEU 14 1HD2 LEU 14 13.361 10.811 -17.517
130 HD23 LEU 14 2HD2 LEU 14 13.773 11.392 -15.903
131 H THR 15 H THR 15 8.455 8.775 -18.271
132 HA THR 15 HA THR 15 9.106 6.558 -19.982
133 HB THR 15 HB THR 15 6.766 7.412 -18.408
134 HG1 THR 15 HG1 THR 15 8.121 5.683 -17.780
135 HG21 THR 15 3HG2 THR 15 6.455 5.906 -21.002
136 HG22 THR 15 1HG2 THR 15 5.632 7.384 -20.506
137 HG23 THR 15 2HG2 THR 15 5.263 5.858 -19.703
138 H HIS 16 H HIS 16 7.698 9.719 -20.361
139 HA HIS 16 HA HIS 16 6.625 9.190 -22.984
140 HB2 HIS 16 2HB HIS 16 6.670 11.456 -21.099
141 HB3 HIS 16 3HB HIS 16 6.691 11.909 -22.801
142 HD1 HIS 16 HD1 HIS 16 4.736 9.178 -21.004
143 HD2 HIS 16 HD2 HIS 16 4.129 12.519 -23.399
144 HE1 HIS 16 HE1 HIS 16 2.258 9.262 -21.427
145 H ARG 17 H ARG 17 9.566 10.496 -21.624
146 HA ARG 17 HA ARG 17 10.552 11.648 -24.037
147 HB2 ARG 17 2HB ARG 17 11.916 10.826 -21.472
148 HB3 ARG 17 3HB ARG 17 12.758 11.607 -22.803
149 HG2 ARG 17 2HG ARG 17 10.447 12.766 -21.259
150 HG3 ARG 17 3HG ARG 17 12.147 13.206 -21.076
151 HD2 ARG 17 2HD ARG 17 11.815 13.543 -23.743
152 HD3 ARG 17 3HD ARG 17 10.205 13.958 -23.154
153 HE ARG 17 HE ARG 17 11.951 15.340 -21.546
154 HH11 ARG 17 1HH1 ARG 17 11.270 15.173 -24.956
155 HH12 ARG 17 2HH1 ARG 17 11.727 16.816 -25.261
156 HH21 ARG 17 2HH2 ARG 17 12.460 18.141 -23.542
157 HH22 ARG 17 1HH2 ARG 17 12.556 17.505 -21.935
158 H LEU 18 H LEU 18 10.961 8.524 -22.442
159 HA LEU 18 HA LEU 18 12.858 7.567 -24.376
160 HB2 LEU 18 2HB LEU 18 12.583 5.407 -23.230
161 HB3 LEU 18 3HB LEU 18 12.961 6.728 -22.127
162 HG LEU 18 HG LEU 18 10.374 6.790 -21.770
163 HD11 LEU 18 1HD1 LEU 18 10.115 3.980 -21.936
164 HD12 LEU 18 2HD1 LEU 18 10.650 4.560 -23.513
165 HD13 LEU 18 3HD1 LEU 18 9.187 5.219 -22.781
166 HD21 LEU 18 3HD2 LEU 18 12.073 4.571 -20.636
167 HD22 LEU 18 1HD2 LEU 18 10.610 5.242 -19.916
168 HD23 LEU 18 2HD2 LEU 18 12.055 6.241 -20.067
169 H ALA 19 H ALA 19 9.406 7.530 -23.993
170 HA ALA 19 HA ALA 19 8.740 5.379 -25.657
171 HB1 ALA 19 1HB ALA 19 7.294 7.890 -24.885
172 HB2 ALA 19 2HB ALA 19 6.584 6.728 -26.007
173 HB3 ALA 19 3HB ALA 19 6.995 6.231 -24.366
174 H ARG 20 H ARG 20 9.888 8.562 -26.393
175 HA ARG 20 HA ARG 20 8.948 8.966 -28.963
176 HB2 ARG 20 2HB ARG 20 11.573 9.696 -27.676
177 HB3 ARG 20 3HB ARG 20 11.160 10.196 -29.310
178 HG2 ARG 20 2HG ARG 20 9.545 11.660 -28.604
179 HG3 ARG 20 3HG ARG 20 9.252 10.781 -27.103
180 HD2 ARG 20 2HD ARG 20 10.504 12.330 -26.102
181 HD3 ARG 20 3HD ARG 20 11.888 11.573 -26.890
182 HE ARG 20 HE ARG 20 10.615 13.476 -28.585
183 HH11 ARG 20 1HH1 ARG 20 12.806 13.148 -25.899
184 HH12 ARG 20 2HH1 ARG 20 13.634 14.635 -26.225
185 HH21 ARG 20 2HH2 ARG 20 13.002 15.936 -28.002
186 HH22 ARG 20 1HH2 ARG 20 11.697 15.436 -29.024
187 H ARG 21 H ARG 21 11.545 6.888 -27.839
188 HA ARG 21 HA ARG 21 12.119 6.085 -30.603
189 HB2 ARG 21 2HB ARG 21 13.653 5.296 -28.128
190 HB3 ARG 21 3HB ARG 21 14.174 5.169 -29.803
191 HG2 ARG 21 2HG ARG 21 15.184 7.123 -29.562
192 HG3 ARG 21 3HG ARG 21 13.592 7.871 -29.414
193 HD2 ARG 21 2HD ARG 21 14.548 8.572 -27.458
194 HD3 ARG 21 3HD ARG 21 13.816 7.061 -26.919
195 HE ARG 21 HE ARG 21 15.910 6.236 -26.539
196 HH11 ARG 21 1HH1 ARG 21 16.155 8.990 -28.654
197 HH12 ARG 21 2HH1 ARG 21 17.887 9.024 -28.623
198 HH21 ARG 21 2HH2 ARG 21 19.044 7.476 -27.393
199 HH22 ARG 21 1HH2 ARG 21 18.190 6.271 -26.490
200 H ASN 22 H ASN 22 9.716 5.283 -29.095
201 HA ASN 22 HA ASN 22 10.164 2.370 -29.063
202 HB2 ASN 22 2HB ASN 22 9.486 3.645 -26.874
203 HB3 ASN 22 3HB ASN 22 7.880 3.641 -27.597
204 HD21 ASN 22 2HD2 ASN 22 7.247 0.528 -26.277
205 HD22 ASN 22 1HD2 ASN 22 6.740 2.150 -26.590
206 H ALA 23 H ALA 23 9.424 4.167 -31.300
207 HA ALA 23 HA ALA 23 6.737 3.126 -31.909
208 HB1 ALA 23 1HB ALA 23 7.938 5.700 -32.280
209 HB2 ALA 23 2HB ALA 23 7.454 5.035 -33.841
210 HB3 ALA 23 3HB ALA 23 6.268 5.199 -32.546
211 H GLY 24 H GLY 24 10.067 3.204 -32.931
212 HA2 GLY 24 2HA GLY 24 9.435 1.839 -35.440
213 HA3 GLY 24 3HA GLY 24 11.013 2.444 -34.957
214 H ALA 25 H ALA 25 9.230 0.624 -32.641
215 HA ALA 25 HA ALA 25 11.034 -1.661 -33.095
216 HB1 ALA 25 1HB ALA 25 10.660 -2.149 -30.661
217 HB2 ALA 25 2HB ALA 25 11.544 -0.661 -31.000
218 HB3 ALA 25 3HB ALA 25 9.842 -0.591 -30.546
219 H THR 26 H THR 26 8.340 -1.122 -34.267
220 HA THR 26 HA THR 26 6.908 -3.461 -33.186
221 HB THR 26 HB THR 26 5.524 -1.527 -32.934
222 HG1 THR 26 HG1 THR 26 3.808 -2.426 -33.847
223 HG21 THR 26 3HG2 THR 26 6.026 0.225 -34.247
224 HG22 THR 26 1HG2 THR 26 4.925 -0.512 -35.409
225 HG23 THR 26 2HG2 THR 26 6.660 -0.803 -35.532
226 H LEU 27 H LEU 27 8.300 -1.988 -36.002
227 HA LEU 27 HA LEU 27 7.481 -4.326 -37.599
228 HB2 LEU 27 2HB LEU 27 7.665 -1.438 -38.275
229 HB3 LEU 27 3HB LEU 27 8.073 -2.609 -39.526
230 HG LEU 27 HG LEU 27 5.633 -3.484 -38.502
231 HD11 LEU 27 1HD1 LEU 27 4.206 -1.699 -38.274
232 HD12 LEU 27 2HD1 LEU 27 5.262 -0.599 -39.161
233 HD13 LEU 27 3HD1 LEU 27 5.665 -1.069 -37.509
234 HD21 LEU 27 3HD2 LEU 27 6.642 -2.218 -40.983
235 HD22 LEU 27 1HD2 LEU 27 4.894 -2.286 -40.763
236 HD23 LEU 27 2HD2 LEU 27 5.842 -3.772 -40.744
237 H ARG 28 H ARG 28 9.321 -5.510 -36.982
238 HA ARG 28 HA ARG 28 11.966 -4.493 -37.281
239 HB2 ARG 28 2HB ARG 28 12.634 -6.892 -37.014
240 HB3 ARG 28 3HB ARG 28 11.601 -6.281 -35.728
241 HG2 ARG 28 2HG ARG 28 9.717 -7.444 -36.562
242 HG3 ARG 28 3HG ARG 28 10.543 -7.834 -38.072
243 HD2 ARG 28 2HD ARG 28 11.331 -8.832 -35.336
244 HD3 ARG 28 3HD ARG 28 10.432 -9.756 -36.540
245 HE ARG 28 HE ARG 28 12.850 -8.831 -37.657
246 HH11 ARG 28 1HH1 ARG 28 11.632 -11.149 -35.362
247 HH12 ARG 28 2HH1 ARG 28 12.946 -12.256 -35.586
248 HH21 ARG 28 2HH2 ARG 28 14.625 -11.761 -37.063
249 HH22 ARG 28 1HH2 ARG 28 14.585 -10.280 -37.960
Start of MODEL 4
1 H1 LYS 1 H LYS 1 3.426 -4.129 -5.482
2 HA LYS 1 HA LYS 1 6.005 -3.443 -6.732
3 HB2 LYS 1 2HB LYS 1 3.323 -3.933 -7.992
4 HB3 LYS 1 3HB LYS 1 4.502 -2.892 -8.778
5 HG2 LYS 1 2HG LYS 1 5.852 -4.613 -9.344
6 HG3 LYS 1 3HG LYS 1 5.467 -5.539 -7.892
7 HD2 LYS 1 2HD LYS 1 3.899 -6.709 -8.962
8 HD3 LYS 1 3HD LYS 1 3.151 -5.242 -9.599
9 HE2 LYS 1 2HE LYS 1 3.803 -6.148 -11.571
10 HE3 LYS 1 3HE LYS 1 5.311 -5.328 -11.168
11 HZ1 LYS 1 3HZ LYS 1 5.088 -7.948 -11.751
12 HZ2 LYS 1 1HZ LYS 1 5.082 -7.978 -10.059
13 HZ3 LYS 1 2HZ LYS 1 6.369 -7.259 -10.888
14 H TYR 2 H TYR 2 4.717 -2.171 -4.477
15 HA TYR 2 HA TYR 2 3.478 0.247 -5.416
16 HB2 TYR 2 2HB TYR 2 3.926 -1.057 -2.869
17 HB3 TYR 2 3HB TYR 2 4.314 0.657 -2.776
18 HD1 TYR 2 HD1 TYR 2 1.641 -1.440 -4.351
19 HD2 TYR 2 HD2 TYR 2 2.599 1.984 -2.014
20 HE1 TYR 2 HE1 TYR 2 -0.754 -0.915 -4.149
21 HE2 TYR 2 HE2 TYR 2 0.208 2.518 -1.804
22 HH TYR 2 HH TYR 2 -2.252 0.321 -2.704
23 H GLU 3 H GLU 3 6.682 -0.839 -4.930
24 HA GLU 3 HA GLU 3 7.832 1.778 -4.535
25 HB2 GLU 3 2HB GLU 3 9.202 -0.827 -5.225
26 HB3 GLU 3 3HB GLU 3 9.980 0.636 -4.638
27 HG2 GLU 3 2HG GLU 3 8.847 0.429 -2.513
28 HG3 GLU 3 3HG GLU 3 7.965 -0.981 -3.095
29 H ILE 4 H ILE 4 7.375 -0.481 -7.191
30 HA ILE 4 HA ILE 4 8.910 1.103 -9.049
31 HB ILE 4 HB ILE 4 8.720 -1.376 -9.240
32 HG12 ILE 4 2HG1 ILE 4 7.710 0.205 -11.616
33 HG13 ILE 4 3HG1 ILE 4 9.398 0.003 -11.158
34 HG21 ILE 4 1HG2 ILE 4 5.917 -0.802 -10.192
35 HG22 ILE 4 2HG2 ILE 4 6.710 -2.375 -10.124
36 HG23 ILE 4 3HG2 ILE 4 6.328 -1.515 -8.633
37 HD11 ILE 4 3HD1 ILE 4 7.510 -1.974 -12.346
38 HD12 ILE 4 1HD1 ILE 4 9.146 -1.541 -12.842
39 HD13 ILE 4 2HD1 ILE 4 8.892 -2.525 -11.400
40 H THR 5 H THR 5 5.589 0.822 -8.065
41 HA THR 5 HA THR 5 4.497 2.182 -10.345
42 HB THR 5 HB THR 5 3.253 0.562 -8.788
43 HG1 THR 5 HG1 THR 5 1.790 2.944 -9.098
44 HG21 THR 5 3HG2 THR 5 3.994 2.051 -6.764
45 HG22 THR 5 1HG2 THR 5 2.404 1.289 -6.768
46 HG23 THR 5 2HG2 THR 5 2.566 2.993 -7.192
47 H THR 6 H THR 6 5.710 3.096 -7.202
48 HA THR 6 HA THR 6 4.644 5.774 -7.319
49 HB THR 6 HB THR 6 4.984 4.675 -5.147
50 HG1 THR 6 HG1 THR 6 5.230 7.046 -5.491
51 HG21 THR 6 3HG2 THR 6 7.932 4.899 -5.765
52 HG22 THR 6 1HG2 THR 6 7.009 3.397 -5.738
53 HG23 THR 6 2HG2 THR 6 7.221 4.328 -4.256
54 H ILE 7 H ILE 7 7.698 4.176 -8.000
55 HA ILE 7 HA ILE 7 9.190 6.591 -8.351
56 HB ILE 7 HB ILE 7 10.182 4.336 -7.802
57 HG12 ILE 7 2HG1 ILE 7 11.294 5.806 -10.202
58 HG13 ILE 7 3HG1 ILE 7 11.558 6.239 -8.516
59 HG21 ILE 7 1HG2 ILE 7 8.911 3.042 -9.456
60 HG22 ILE 7 2HG2 ILE 7 9.783 3.859 -10.752
61 HG23 ILE 7 3HG2 ILE 7 10.650 2.809 -9.632
62 HD11 ILE 7 3HD1 ILE 7 12.472 3.764 -8.406
63 HD12 ILE 7 1HD1 ILE 7 12.738 4.052 -10.125
64 HD13 ILE 7 2HD1 ILE 7 13.481 5.113 -8.928
65 H HIS 8 H HIS 8 7.280 4.519 -10.418
66 HA HIS 8 HA HIS 8 8.202 5.733 -12.864
67 HB2 HIS 8 2HB HIS 8 6.272 3.602 -12.119
68 HB3 HIS 8 3HB HIS 8 5.982 4.439 -13.641
69 HD1 HIS 8 HD1 HIS 8 9.531 4.075 -12.745
70 HD2 HIS 8 HD2 HIS 8 6.679 1.939 -14.880
71 HE1 HIS 8 HE1 HIS 8 10.824 2.398 -14.102
72 H ASN 9 H ASN 9 5.687 6.280 -10.551
73 HA ASN 9 HA ASN 9 4.040 7.875 -12.284
74 HB2 ASN 9 2HB ASN 9 2.974 6.733 -10.450
75 HB3 ASN 9 3HB ASN 9 4.056 7.491 -9.285
76 HD21 ASN 9 2HD2 ASN 9 2.246 10.447 -9.027
77 HD22 ASN 9 1HD2 ASN 9 3.697 9.587 -8.649
78 H LEU 10 H LEU 10 6.631 8.444 -10.000
79 HA LEU 10 HA LEU 10 6.279 11.302 -9.976
80 HB2 LEU 10 2HB LEU 10 8.311 9.408 -8.864
81 HB3 LEU 10 3HB LEU 10 8.631 11.141 -8.894
82 HG LEU 10 HG LEU 10 6.166 10.026 -7.592
83 HD11 LEU 10 1HD1 LEU 10 7.333 9.147 -5.929
84 HD12 LEU 10 2HD1 LEU 10 8.136 10.694 -5.659
85 HD13 LEU 10 3HD1 LEU 10 8.833 9.523 -6.778
86 HD21 LEU 10 3HD2 LEU 10 6.311 12.447 -8.098
87 HD22 LEU 10 1HD2 LEU 10 7.755 12.539 -7.090
88 HD23 LEU 10 2HD2 LEU 10 6.205 12.100 -6.372
89 H ALA 11 H ALA 11 8.035 8.983 -11.854
90 HA ALA 11 HA ALA 11 9.391 11.179 -13.280
91 HB1 ALA 11 1HB ALA 11 11.263 9.913 -13.573
92 HB2 ALA 11 2HB ALA 11 10.702 9.243 -12.041
93 HB3 ALA 11 3HB ALA 11 10.373 8.390 -13.549
94 H ARG 12 H ARG 12 6.928 10.944 -14.105
95 HA ARG 12 HA ARG 12 6.664 8.957 -16.197
96 HB2 ARG 12 2HB ARG 12 4.440 9.760 -16.479
97 HB3 ARG 12 3HB ARG 12 4.749 9.719 -14.748
98 HG2 ARG 12 2HG ARG 12 5.500 12.265 -15.422
99 HG3 ARG 12 3HG ARG 12 4.125 11.969 -16.488
100 HD2 ARG 12 2HD ARG 12 4.213 11.814 -13.484
101 HD3 ARG 12 3HD ARG 12 3.260 12.908 -14.486
102 HE ARG 12 HE ARG 12 2.470 10.353 -15.168
103 HH11 ARG 12 1HH1 ARG 12 2.502 12.335 -12.306
104 HH12 ARG 12 2HH1 ARG 12 1.100 11.587 -11.614
105 HH21 ARG 12 2HH2 ARG 12 0.033 9.894 -12.730
106 HH22 ARG 12 1HH2 ARG 12 0.624 9.360 -14.268
107 H LYS 13 H LYS 13 7.608 12.269 -15.868
108 HA LYS 13 HA LYS 13 7.130 13.205 -18.462
109 HB2 LYS 13 2HB LYS 13 8.731 14.941 -17.975
110 HB3 LYS 13 3HB LYS 13 7.785 14.623 -16.527
111 HG2 LYS 13 2HG LYS 13 9.815 12.983 -16.032
112 HG3 LYS 13 3HG LYS 13 10.655 14.139 -17.068
113 HD2 LYS 13 2HD LYS 13 8.942 15.102 -14.811
114 HD3 LYS 13 3HD LYS 13 10.584 14.534 -14.500
115 HE2 LYS 13 2HE LYS 13 10.745 16.246 -16.723
116 HE3 LYS 13 3HE LYS 13 9.695 17.051 -15.558
117 HZ1 LYS 13 3HZ LYS 13 12.203 17.435 -15.395
118 HZ2 LYS 13 1HZ LYS 13 12.273 15.885 -14.720
119 HZ3 LYS 13 2HZ LYS 13 11.363 17.094 -13.967
120 H LEU 14 H LEU 14 9.686 11.208 -17.158
121 HA LEU 14 HA LEU 14 11.463 11.444 -19.362
122 HB2 LEU 14 2HB LEU 14 12.741 9.793 -18.340
123 HB3 LEU 14 3HB LEU 14 11.958 10.621 -16.995
124 HG LEU 14 HG LEU 14 10.202 8.643 -17.324
125 HD11 LEU 14 1HD1 LEU 14 12.457 7.869 -18.938
126 HD12 LEU 14 2HD1 LEU 14 10.891 7.082 -18.742
127 HD13 LEU 14 3HD1 LEU 14 12.204 6.724 -17.620
128 HD21 LEU 14 3HD2 LEU 14 11.870 9.355 -15.395
129 HD22 LEU 14 1HD2 LEU 14 12.693 7.879 -15.899
130 HD23 LEU 14 2HD2 LEU 14 11.015 7.812 -15.363
131 H THR 15 H THR 15 8.753 9.356 -18.623
132 HA THR 15 HA THR 15 9.244 7.470 -20.707
133 HB THR 15 HB THR 15 7.542 7.545 -18.541
134 HG1 THR 15 HG1 THR 15 7.322 5.479 -19.088
135 HG21 THR 15 3HG2 THR 15 5.821 7.562 -21.019
136 HG22 THR 15 1HG2 THR 15 5.973 8.932 -19.920
137 HG23 THR 15 2HG2 THR 15 5.289 7.411 -19.345
138 H HIS 16 H HIS 16 7.649 10.550 -20.514
139 HA HIS 16 HA HIS 16 6.207 10.247 -22.989
140 HB2 HIS 16 2HB HIS 16 5.560 11.741 -21.001
141 HB3 HIS 16 3HB HIS 16 6.780 12.860 -21.602
142 HD1 HIS 16 HD1 HIS 16 3.370 11.552 -22.315
143 HD2 HIS 16 HD2 HIS 16 6.123 14.154 -24.021
144 HE1 HIS 16 HE1 HIS 16 2.098 12.816 -24.078
145 H ARG 17 H ARG 17 9.261 11.612 -21.945
146 HA ARG 17 HA ARG 17 9.816 12.999 -24.374
147 HB2 ARG 17 2HB ARG 17 11.614 12.088 -22.123
148 HB3 ARG 17 3HB ARG 17 12.157 13.076 -23.473
149 HG2 ARG 17 2HG ARG 17 10.862 14.908 -22.798
150 HG3 ARG 17 3HG ARG 17 9.887 13.922 -21.706
151 HD2 ARG 17 2HD ARG 17 11.267 14.865 -20.168
152 HD3 ARG 17 3HD ARG 17 12.273 13.487 -20.612
153 HE ARG 17 HE ARG 17 12.751 15.831 -22.205
154 HH11 ARG 17 1HH1 ARG 17 13.554 14.152 -19.263
155 HH12 ARG 17 2HH1 ARG 17 15.101 14.915 -19.096
156 HH21 ARG 17 2HH2 ARG 17 15.799 16.446 -20.651
157 HH22 ARG 17 1HH2 ARG 17 14.785 16.842 -21.996
158 H LEU 18 H LEU 18 10.608 9.803 -23.105
159 HA LEU 18 HA LEU 18 12.265 9.120 -25.359
160 HB2 LEU 18 2HB LEU 18 12.331 6.888 -24.346
161 HB3 LEU 18 3HB LEU 18 12.757 8.161 -23.204
162 HG LEU 18 HG LEU 18 10.235 7.962 -22.512
163 HD11 LEU 18 1HD1 LEU 18 10.535 5.804 -24.378
164 HD12 LEU 18 2HD1 LEU 18 9.092 6.360 -23.531
165 HD13 LEU 18 3HD1 LEU 18 10.157 5.175 -22.774
166 HD21 LEU 18 3HD2 LEU 18 10.878 6.250 -20.851
167 HD22 LEU 18 1HD2 LEU 18 12.080 7.530 -21.018
168 HD23 LEU 18 2HD2 LEU 18 12.359 5.956 -21.763
169 H ALA 19 H ALA 19 8.921 8.851 -24.498
170 HA ALA 19 HA ALA 19 8.132 6.742 -26.164
171 HB1 ALA 19 1HB ALA 19 5.921 8.244 -26.175
172 HB2 ALA 19 2HB ALA 19 6.421 7.283 -24.782
173 HB3 ALA 19 3HB ALA 19 6.777 9.009 -24.835
174 H ARG 20 H ARG 20 8.913 10.059 -26.864
175 HA ARG 20 HA ARG 20 7.628 10.314 -29.352
176 HB2 ARG 20 2HB ARG 20 9.856 11.704 -27.955
177 HB3 ARG 20 3HB ARG 20 9.713 11.950 -29.691
178 HG2 ARG 20 2HG ARG 20 7.725 13.071 -29.511
179 HG3 ARG 20 3HG ARG 20 7.291 12.278 -27.995
180 HD2 ARG 20 2HD ARG 20 8.163 13.943 -26.810
181 HD3 ARG 20 3HD ARG 20 9.702 13.799 -27.659
182 HE ARG 20 HE ARG 20 7.634 15.732 -28.139
183 HH11 ARG 20 1HH1 ARG 20 10.323 14.019 -29.538
184 HH12 ARG 20 2HH1 ARG 20 10.630 15.223 -30.746
185 HH21 ARG 20 2HH2 ARG 20 9.325 17.103 -30.850
186 HH22 ARG 20 1HH2 ARG 20 8.029 17.324 -29.724
187 H ARG 21 H ARG 21 10.933 9.297 -28.527
188 HA ARG 21 HA ARG 21 11.639 8.766 -31.253
189 HB2 ARG 21 2HB ARG 21 13.329 9.397 -29.588
190 HB3 ARG 21 3HB ARG 21 12.993 7.927 -28.682
191 HG2 ARG 21 2HG ARG 21 13.601 7.249 -31.390
192 HG3 ARG 21 3HG ARG 21 14.860 8.303 -30.745
193 HD2 ARG 21 2HD ARG 21 14.507 6.625 -28.660
194 HD3 ARG 21 3HD ARG 21 14.123 5.549 -30.003
195 HE ARG 21 HE ARG 21 16.336 5.535 -30.572
196 HH11 ARG 21 1HH1 ARG 21 15.731 8.226 -28.448
197 HH12 ARG 21 2HH1 ARG 21 17.405 8.641 -28.283
198 HH21 ARG 21 2HH2 ARG 21 19.004 7.415 -29.373
199 HH22 ARG 21 1HH2 ARG 21 18.543 6.071 -30.363
200 H ASN 22 H ASN 22 9.631 7.421 -31.567
201 HA ASN 22 HA ASN 22 10.171 4.620 -30.826
202 HB2 ASN 22 2HB ASN 22 7.570 6.110 -31.096
203 HB3 ASN 22 3HB ASN 22 7.632 4.355 -31.228
204 HD21 ASN 22 2HD2 ASN 22 6.847 4.856 -27.766
205 HD22 ASN 22 1HD2 ASN 22 6.112 4.884 -29.329
206 H ALA 23 H ALA 23 11.425 4.269 -32.692
207 HA ALA 23 HA ALA 23 9.951 4.385 -35.240
208 HB1 ALA 23 1HB ALA 23 12.753 4.889 -34.519
209 HB2 ALA 23 2HB ALA 23 12.518 3.939 -35.987
210 HB3 ALA 23 3HB ALA 23 11.784 5.536 -35.844
211 H GLY 24 H GLY 24 11.730 2.325 -33.044
212 HA2 GLY 24 2HA GLY 24 11.215 0.032 -34.832
213 HA3 GLY 24 3HA GLY 24 12.517 0.097 -33.654
214 H ALA 25 H ALA 25 9.125 1.011 -33.219
215 HA ALA 25 HA ALA 25 8.943 -1.046 -31.118
216 HB1 ALA 25 1HB ALA 25 8.702 1.538 -30.664
217 HB2 ALA 25 2HB ALA 25 7.048 1.246 -31.204
218 HB3 ALA 25 3HB ALA 25 7.693 0.362 -29.821
219 H THR 26 H THR 26 8.498 -1.793 -33.763
220 HA THR 26 HA THR 26 5.737 -1.692 -34.460
221 HB THR 26 HB THR 26 6.673 -3.880 -35.805
222 HG1 THR 26 HG1 THR 26 8.761 -3.776 -35.068
223 HG21 THR 26 3HG2 THR 26 7.549 -1.636 -37.272
224 HG22 THR 26 1HG2 THR 26 6.151 -1.113 -36.334
225 HG23 THR 26 2HG2 THR 26 6.017 -2.495 -37.422
226 H LEU 27 H LEU 27 7.793 -4.342 -33.243
227 HA LEU 27 HA LEU 27 5.793 -6.249 -32.936
228 HB2 LEU 27 2HB LEU 27 8.351 -5.815 -31.414
229 HB3 LEU 27 3HB LEU 27 7.319 -7.223 -31.179
230 HG LEU 27 HG LEU 27 8.683 -6.475 -33.765
231 HD11 LEU 27 1HD1 LEU 27 10.401 -7.159 -32.340
232 HD12 LEU 27 2HD1 LEU 27 9.962 -8.621 -33.222
233 HD13 LEU 27 3HD1 LEU 27 9.398 -8.387 -31.567
234 HD21 LEU 27 3HD2 LEU 27 6.746 -7.678 -34.324
235 HD22 LEU 27 1HD2 LEU 27 6.919 -8.764 -32.946
236 HD23 LEU 27 2HD2 LEU 27 8.037 -8.880 -34.306
237 H ARG 28 H ARG 28 7.309 -4.667 -30.136
238 HA ARG 28 HA ARG 28 4.753 -4.845 -28.727
239 HB2 ARG 28 2HB ARG 28 7.609 -4.595 -27.880
240 HB3 ARG 28 3HB ARG 28 6.348 -4.035 -26.790
241 HG2 ARG 28 2HG ARG 28 5.757 -6.110 -26.223
242 HG3 ARG 28 3HG ARG 28 5.843 -6.689 -27.888
243 HD2 ARG 28 2HD ARG 28 8.417 -6.487 -27.526
244 HD3 ARG 28 3HD ARG 28 7.991 -6.536 -25.816
245 HE ARG 28 HE ARG 28 6.739 -8.648 -27.237
246 HH11 ARG 28 1HH1 ARG 28 9.799 -7.633 -25.925
247 HH12 ARG 28 2HH1 ARG 28 10.387 -9.247 -25.701
248 HH21 ARG 28 2HH2 ARG 28 9.079 -11.036 -26.284
249 HH22 ARG 28 1HH2 ARG 28 7.501 -10.779 -26.948
Start of MODEL 5
1 H1 LYS 1 H LYS 1 1.475 1.538 0.876
2 HA LYS 1 HA LYS 1 3.712 0.265 -0.094
3 HB2 LYS 1 2HB LYS 1 1.802 -1.384 -0.808
4 HB3 LYS 1 3HB LYS 1 1.534 -0.215 -2.094
5 HG2 LYS 1 2HG LYS 1 3.018 -1.475 -3.203
6 HG3 LYS 1 3HG LYS 1 4.204 -0.542 -2.287
7 HD2 LYS 1 2HD LYS 1 4.943 -2.631 -1.773
8 HD3 LYS 1 3HD LYS 1 3.735 -2.459 -0.497
9 HE2 LYS 1 2HE LYS 1 2.124 -3.480 -2.274
10 HE3 LYS 1 3HE LYS 1 3.613 -4.044 -3.030
11 HZ1 LYS 1 3HZ LYS 1 3.069 -5.782 -1.649
12 HZ2 LYS 1 1HZ LYS 1 2.463 -4.783 -0.424
13 HZ3 LYS 1 2HZ LYS 1 4.133 -4.908 -0.666
14 H TYR 2 H TYR 2 3.318 2.815 0.401
15 HA TYR 2 HA TYR 2 2.498 4.301 -1.925
16 HB2 TYR 2 2HB TYR 2 2.496 4.956 0.655
17 HB3 TYR 2 3HB TYR 2 4.093 5.575 0.248
18 HD1 TYR 2 HD1 TYR 2 4.254 7.761 -0.475
19 HD2 TYR 2 HD2 TYR 2 0.585 5.683 -1.043
20 HE1 TYR 2 HE1 TYR 2 3.236 9.815 -1.366
21 HE2 TYR 2 HE2 TYR 2 -0.443 7.731 -1.937
22 HH TYR 2 HH TYR 2 0.119 9.813 -2.879
23 H GLU 3 H GLU 3 5.382 2.840 -0.816
24 HA GLU 3 HA GLU 3 7.327 4.515 -1.940
25 HB2 GLU 3 2HB GLU 3 8.812 2.580 -1.844
26 HB3 GLU 3 3HB GLU 3 7.859 2.705 -0.372
27 HG2 GLU 3 2HG GLU 3 6.266 1.046 -1.577
28 HG3 GLU 3 3HG GLU 3 7.676 0.709 -2.580
29 H ILE 4 H ILE 4 5.041 2.437 -3.409
30 HA ILE 4 HA ILE 4 6.504 2.022 -5.854
31 HB ILE 4 HB ILE 4 4.749 0.444 -4.978
32 HG12 ILE 4 2HG1 ILE 4 4.361 1.530 -7.777
33 HG13 ILE 4 3HG1 ILE 4 5.561 0.338 -7.292
34 HG21 ILE 4 1HG2 ILE 4 3.198 2.605 -4.660
35 HG22 ILE 4 2HG2 ILE 4 2.627 2.066 -6.239
36 HG23 ILE 4 3HG2 ILE 4 2.553 0.975 -4.856
37 HD11 ILE 4 3HD1 ILE 4 2.590 0.035 -7.484
38 HD12 ILE 4 1HD1 ILE 4 3.856 -0.903 -8.276
39 HD13 ILE 4 2HD1 ILE 4 3.578 -1.083 -6.544
40 H THR 5 H THR 5 4.450 4.455 -4.559
41 HA THR 5 HA THR 5 3.582 5.546 -7.064
42 HB THR 5 HB THR 5 2.631 7.341 -5.815
43 HG1 THR 5 HG1 THR 5 3.234 7.791 -3.706
44 HG21 THR 5 3HG2 THR 5 1.353 6.162 -4.074
45 HG22 THR 5 1HG2 THR 5 2.481 4.810 -4.171
46 HG23 THR 5 2HG2 THR 5 1.468 5.215 -5.557
47 H THR 6 H THR 6 6.182 6.219 -4.779
48 HA THR 6 HA THR 6 7.084 8.578 -6.127
49 HB THR 6 HB THR 6 7.544 8.281 -3.750
50 HG1 THR 6 HG1 THR 6 10.052 8.126 -5.058
51 HG21 THR 6 3HG2 THR 6 9.125 6.627 -2.946
52 HG22 THR 6 1HG2 THR 6 9.358 6.014 -4.582
53 HG23 THR 6 2HG2 THR 6 7.798 5.821 -3.782
54 H ILE 7 H ILE 7 7.950 5.166 -6.183
55 HA ILE 7 HA ILE 7 10.277 5.503 -7.802
56 HB ILE 7 HB ILE 7 9.800 3.518 -6.311
57 HG12 ILE 7 2HG1 ILE 7 10.504 2.974 -9.204
58 HG13 ILE 7 3HG1 ILE 7 11.620 3.523 -7.958
59 HG21 ILE 7 1HG2 ILE 7 7.463 3.207 -7.109
60 HG22 ILE 7 2HG2 ILE 7 8.113 2.604 -8.633
61 HG23 ILE 7 3HG2 ILE 7 8.430 1.732 -7.134
62 HD11 ILE 7 3HD1 ILE 7 11.900 1.165 -8.342
63 HD12 ILE 7 1HD1 ILE 7 11.234 1.429 -6.730
64 HD13 ILE 7 2HD1 ILE 7 10.186 0.880 -8.039
65 H HIS 8 H HIS 8 6.875 5.013 -8.428
66 HA HIS 8 HA HIS 8 7.243 4.415 -11.223
67 HB2 HIS 8 2HB HIS 8 4.895 4.802 -9.413
68 HB3 HIS 8 3HB HIS 8 4.653 4.930 -11.153
69 HD1 HIS 8 HD1 HIS 8 3.103 2.745 -10.548
70 HD2 HIS 8 HD2 HIS 8 7.227 2.247 -10.472
71 HE1 HIS 8 HE1 HIS 8 3.484 0.264 -10.695
72 H ASN 9 H ASN 9 6.807 7.241 -9.270
73 HA ASN 9 HA ASN 9 5.975 8.947 -11.431
74 HB2 ASN 9 2HB ASN 9 6.728 9.371 -8.559
75 HB3 ASN 9 3HB ASN 9 6.623 10.751 -9.648
76 HD21 ASN 9 2HD2 ASN 9 3.337 10.715 -8.277
77 HD22 ASN 9 1HD2 ASN 9 4.948 11.254 -7.959
78 H LEU 10 H LEU 10 8.987 8.054 -9.895
79 HA LEU 10 HA LEU 10 10.529 10.120 -11.167
80 HB2 LEU 10 2HB LEU 10 11.179 7.700 -9.529
81 HB3 LEU 10 3HB LEU 10 12.453 8.576 -10.376
82 HG LEU 10 HG LEU 10 10.605 9.968 -8.463
83 HD11 LEU 10 1HD1 LEU 10 12.976 9.557 -7.111
84 HD12 LEU 10 2HD1 LEU 10 12.636 7.990 -7.845
85 HD13 LEU 10 3HD1 LEU 10 11.439 8.750 -6.797
86 HD21 LEU 10 3HD2 LEU 10 12.011 11.285 -10.029
87 HD22 LEU 10 1HD2 LEU 10 13.440 10.547 -9.307
88 HD23 LEU 10 2HD2 LEU 10 12.388 11.572 -8.330
89 H ALA 11 H ALA 11 9.615 6.836 -11.880
90 HA ALA 11 HA ALA 11 11.305 6.900 -14.293
91 HB1 ALA 11 1HB ALA 11 10.333 4.629 -12.597
92 HB2 ALA 11 2HB ALA 11 10.835 4.369 -14.268
93 HB3 ALA 11 3HB ALA 11 11.978 5.022 -13.095
94 H ARG 12 H ARG 12 9.145 8.374 -14.628
95 HA ARG 12 HA ARG 12 7.014 6.717 -15.749
96 HB2 ARG 12 2HB ARG 12 5.773 8.831 -15.972
97 HB3 ARG 12 3HB ARG 12 6.323 8.564 -14.323
98 HG2 ARG 12 2HG ARG 12 7.036 10.675 -14.434
99 HG3 ARG 12 3HG ARG 12 8.382 10.011 -15.363
100 HD2 ARG 12 2HD ARG 12 7.766 11.248 -17.099
101 HD3 ARG 12 3HD ARG 12 6.236 10.374 -17.158
102 HE ARG 12 HE ARG 12 6.037 12.342 -15.187
103 HH11 ARG 12 1HH1 ARG 12 6.367 12.089 -18.643
104 HH12 ARG 12 2HH1 ARG 12 5.542 13.578 -18.962
105 HH21 ARG 12 2HH2 ARG 12 4.736 14.838 -17.227
106 HH22 ARG 12 1HH2 ARG 12 4.948 14.305 -15.594
107 H LYS 13 H LYS 13 9.736 7.067 -16.955
108 HA LYS 13 HA LYS 13 9.323 8.619 -19.345
109 HB2 LYS 13 2HB LYS 13 11.525 7.687 -20.024
110 HB3 LYS 13 3HB LYS 13 11.558 8.471 -18.450
111 HG2 LYS 13 2HG LYS 13 12.262 6.617 -17.460
112 HG3 LYS 13 3HG LYS 13 10.968 5.662 -18.187
113 HD2 LYS 13 2HD LYS 13 13.049 4.738 -18.910
114 HD3 LYS 13 3HD LYS 13 12.328 5.574 -20.287
115 HE2 LYS 13 2HE LYS 13 13.903 7.228 -20.281
116 HE3 LYS 13 3HE LYS 13 14.182 7.107 -18.545
117 HZ1 LYS 13 3HZ LYS 13 15.616 5.898 -20.659
118 HZ2 LYS 13 1HZ LYS 13 14.993 4.699 -19.641
119 HZ3 LYS 13 2HZ LYS 13 15.976 5.919 -19.006
120 H LEU 14 H LEU 14 8.944 5.304 -18.368
121 HA LEU 14 HA LEU 14 8.976 4.049 -20.871
122 HB2 LEU 14 2HB LEU 14 7.716 2.262 -19.809
123 HB3 LEU 14 3HB LEU 14 9.027 2.821 -18.772
124 HG LEU 14 HG LEU 14 6.929 4.306 -17.858
125 HD11 LEU 14 1HD1 LEU 14 5.867 1.618 -18.706
126 HD12 LEU 14 2HD1 LEU 14 5.282 3.206 -19.203
127 HD13 LEU 14 3HD1 LEU 14 5.081 2.676 -17.533
128 HD21 LEU 14 3HD2 LEU 14 8.359 3.285 -16.328
129 HD22 LEU 14 1HD2 LEU 14 8.093 1.679 -17.005
130 HD23 LEU 14 2HD2 LEU 14 6.820 2.462 -16.068
131 H THR 15 H THR 15 6.416 5.747 -19.153
132 HA THR 15 HA THR 15 4.250 5.011 -20.765
133 HB THR 15 HB THR 15 3.154 7.077 -19.966
134 HG1 THR 15 HG1 THR 15 4.327 8.690 -19.263
135 HG21 THR 15 3HG2 THR 15 3.228 6.560 -17.578
136 HG22 THR 15 1HG2 THR 15 4.702 5.623 -17.818
137 HG23 THR 15 2HG2 THR 15 3.186 5.082 -18.538
138 H HIS 16 H HIS 16 6.553 7.686 -21.073
139 HA HIS 16 HA HIS 16 5.297 8.704 -23.455
140 HB2 HIS 16 2HB HIS 16 7.185 9.658 -21.575
141 HB3 HIS 16 3HB HIS 16 7.988 9.654 -23.142
142 HD1 HIS 16 HD1 HIS 16 6.775 11.070 -25.057
143 HD2 HIS 16 HD2 HIS 16 5.403 11.700 -21.187
144 HE1 HIS 16 HE1 HIS 16 5.473 13.220 -25.147
145 H ARG 17 H ARG 17 7.872 6.496 -22.680
146 HA ARG 17 HA ARG 17 9.267 6.496 -25.105
147 HB2 ARG 17 2HB ARG 17 9.525 5.178 -22.732
148 HB3 ARG 17 3HB ARG 17 8.982 3.878 -23.784
149 HG2 ARG 17 2HG ARG 17 10.854 4.039 -25.157
150 HG3 ARG 17 3HG ARG 17 11.252 5.659 -24.580
151 HD2 ARG 17 2HD ARG 17 11.424 4.325 -22.269
152 HD3 ARG 17 3HD ARG 17 11.821 3.014 -23.378
153 HE ARG 17 HE ARG 17 13.453 5.280 -22.724
154 HH11 ARG 17 1HH1 ARG 17 12.748 2.885 -25.151
155 HH12 ARG 17 2HH1 ARG 17 14.318 2.971 -25.878
156 HH21 ARG 17 2HH2 ARG 17 15.896 4.402 -25.036
157 HH22 ARG 17 1HH2 ARG 17 15.524 5.401 -23.673
158 H LEU 18 H LEU 18 6.430 4.647 -24.070
159 HA LEU 18 HA LEU 18 6.250 3.181 -26.530
160 HB2 LEU 18 2HB LEU 18 4.373 2.145 -25.621
161 HB3 LEU 18 3HB LEU 18 5.411 2.463 -24.233
162 HG LEU 18 HG LEU 18 3.874 4.659 -24.142
163 HD11 LEU 18 1HD1 LEU 18 2.202 2.529 -25.452
164 HD12 LEU 18 2HD1 LEU 18 2.478 4.183 -25.997
165 HD13 LEU 18 3HD1 LEU 18 1.519 3.881 -24.548
166 HD21 LEU 18 3HD2 LEU 18 2.530 3.471 -22.452
167 HD22 LEU 18 1HD2 LEU 18 4.256 3.144 -22.295
168 HD23 LEU 18 2HD2 LEU 18 3.194 1.940 -23.025
169 H ALA 19 H ALA 19 4.970 6.167 -25.282
170 HA ALA 19 HA ALA 19 2.868 6.477 -27.174
171 HB1 ALA 19 1HB ALA 19 4.318 8.493 -25.468
172 HB2 ALA 19 2HB ALA 19 2.895 8.854 -26.445
173 HB3 ALA 19 3HB ALA 19 2.782 7.702 -25.115
174 H ARG 20 H ARG 20 6.261 7.419 -27.095
175 HA ARG 20 HA ARG 20 6.055 8.891 -29.580
176 HB2 ARG 20 2HB ARG 20 8.440 9.302 -29.307
177 HB3 ARG 20 3HB ARG 20 7.587 9.646 -27.809
178 HG2 ARG 20 2HG ARG 20 8.250 7.314 -27.065
179 HG3 ARG 20 3HG ARG 20 9.341 7.299 -28.452
180 HD2 ARG 20 2HD ARG 20 9.964 9.689 -27.354
181 HD3 ARG 20 3HD ARG 20 9.516 8.780 -25.911
182 HE ARG 20 HE ARG 20 11.421 7.530 -26.146
183 HH11 ARG 20 1HH1 ARG 20 10.819 9.272 -29.099
184 HH12 ARG 20 2HH1 ARG 20 12.340 8.849 -29.812
185 HH21 ARG 20 2HH2 ARG 20 13.823 7.537 -28.660
186 HH22 ARG 20 1HH2 ARG 20 13.427 6.966 -27.074
187 H ARG 21 H ARG 21 7.144 5.752 -28.468
188 HA ARG 21 HA ARG 21 8.406 5.027 -30.938
189 HB2 ARG 21 2HB ARG 21 9.092 4.022 -28.808
190 HB3 ARG 21 3HB ARG 21 7.496 3.306 -28.625
191 HG2 ARG 21 2HG ARG 21 8.592 2.562 -31.160
192 HG3 ARG 21 3HG ARG 21 9.750 2.205 -29.878
193 HD2 ARG 21 2HD ARG 21 6.992 1.473 -29.232
194 HD3 ARG 21 3HD ARG 21 7.656 0.607 -30.618
195 HE ARG 21 HE ARG 21 9.574 0.498 -28.627
196 HH11 ARG 21 1HH1 ARG 21 6.292 -0.568 -29.093
197 HH12 ARG 21 2HH1 ARG 21 6.453 -1.943 -28.051
198 HH21 ARG 21 2HH2 ARG 21 8.447 -2.364 -27.005
199 HH22 ARG 21 1HH2 ARG 21 9.798 -1.310 -27.254
200 H ASN 22 H ASN 22 6.457 5.749 -32.209
201 HA ASN 22 HA ASN 22 4.037 4.330 -32.179
202 HB2 ASN 22 2HB ASN 22 4.260 6.467 -33.330
203 HB3 ASN 22 3HB ASN 22 5.402 5.761 -34.469
204 HD21 ASN 22 2HD2 ASN 22 1.449 4.722 -34.731
205 HD22 ASN 22 1HD2 ASN 22 2.150 5.114 -33.201
206 H ALA 23 H ALA 23 6.469 4.097 -34.771
207 HA ALA 23 HA ALA 23 5.901 1.207 -34.911
208 HB1 ALA 23 1HB ALA 23 4.983 2.039 -36.876
209 HB2 ALA 23 2HB ALA 23 6.275 3.221 -37.095
210 HB3 ALA 23 3HB ALA 23 6.590 1.509 -37.376
211 H GLY 24 H GLY 24 8.341 3.267 -36.476
212 HA2 GLY 24 2HA GLY 24 10.404 1.478 -35.352
213 HA3 GLY 24 3HA GLY 24 10.540 2.307 -36.896
214 H ALA 25 H ALA 25 9.372 3.756 -33.911
215 HA ALA 25 HA ALA 25 11.575 5.683 -34.066
216 HB1 ALA 25 1HB ALA 25 8.850 5.769 -32.820
217 HB2 ALA 25 2HB ALA 25 10.103 6.924 -32.362
218 HB3 ALA 25 3HB ALA 25 9.552 6.838 -34.036
219 H THR 26 H THR 26 12.273 3.177 -33.092
220 HA THR 26 HA THR 26 12.486 3.569 -30.185
221 HB THR 26 HB THR 26 11.536 1.415 -30.815
222 HG1 THR 26 HG1 THR 26 12.707 0.405 -29.337
223 HG21 THR 26 3HG2 THR 26 13.343 1.527 -32.934
224 HG22 THR 26 1HG2 THR 26 12.268 0.189 -32.533
225 HG23 THR 26 2HG2 THR 26 13.922 0.206 -31.920
226 H LEU 27 H LEU 27 14.312 3.289 -33.137
227 HA LEU 27 HA LEU 27 16.861 3.023 -31.826
228 HB2 LEU 27 2HB LEU 27 16.416 3.865 -34.674
229 HB3 LEU 27 3HB LEU 27 17.815 3.047 -33.981
230 HG LEU 27 HG LEU 27 15.086 1.826 -34.394
231 HD11 LEU 27 1HD1 LEU 27 17.331 0.647 -35.799
232 HD12 LEU 27 2HD1 LEU 27 17.049 2.322 -36.272
233 HD13 LEU 27 3HD1 LEU 27 15.749 1.138 -36.403
234 HD21 LEU 27 3HD2 LEU 27 16.430 -0.291 -33.905
235 HD22 LEU 27 1HD2 LEU 27 16.011 0.740 -32.537
236 HD23 LEU 27 2HD2 LEU 27 17.641 0.786 -33.208
237 H ARG 28 H ARG 28 14.875 5.617 -33.055
238 HA ARG 28 HA ARG 28 16.993 7.581 -32.811
239 HB2 ARG 28 2HB ARG 28 14.262 7.506 -33.914
240 HB3 ARG 28 3HB ARG 28 14.717 9.035 -33.173
241 HG2 ARG 28 2HG ARG 28 16.396 9.433 -34.707
242 HG3 ARG 28 3HG ARG 28 16.541 7.729 -35.143
243 HD2 ARG 28 2HD ARG 28 15.320 8.267 -36.938
244 HD3 ARG 28 3HD ARG 28 13.951 8.290 -35.827
245 HE ARG 28 HE ARG 28 15.222 10.804 -35.818
246 HH11 ARG 28 1HH1 ARG 28 13.234 8.782 -37.837
247 HH12 ARG 28 2HH1 ARG 28 12.504 10.111 -38.674
248 HH21 ARG 28 2HH2 ARG 28 13.093 12.262 -38.148
249 HH22 ARG 28 1HH2 ARG 28 14.267 12.563 -36.912
Start of MODEL 6
1 H1 LYS 1 H LYS 1 0.963 -1.394 -3.213
2 HA LYS 1 HA LYS 1 3.741 -1.704 -4.140
3 HB2 LYS 1 2HB LYS 1 1.154 -1.462 -5.678
4 HB3 LYS 1 3HB LYS 1 2.738 -1.353 -6.435
5 HG2 LYS 1 2HG LYS 1 2.990 -3.673 -5.066
6 HG3 LYS 1 3HG LYS 1 1.268 -3.694 -5.452
7 HD2 LYS 1 2HD LYS 1 1.837 -3.287 -7.826
8 HD3 LYS 1 3HD LYS 1 3.548 -3.380 -7.405
9 HE2 LYS 1 2HE LYS 1 2.797 -5.686 -6.356
10 HE3 LYS 1 3HE LYS 1 1.495 -5.531 -7.534
11 HZ1 LYS 1 3HZ LYS 1 3.409 -6.763 -8.401
12 HZ2 LYS 1 1HZ LYS 1 4.391 -5.403 -8.181
13 HZ3 LYS 1 2HZ LYS 1 3.114 -5.354 -9.289
14 H TYR 2 H TYR 2 2.788 0.422 -2.395
15 HA TYR 2 HA TYR 2 2.520 2.797 -3.992
16 HB2 TYR 2 2HB TYR 2 2.800 2.257 -1.049
17 HB3 TYR 2 3HB TYR 2 2.916 3.898 -1.677
18 HD1 TYR 2 HD1 TYR 2 0.935 4.634 -3.243
19 HD2 TYR 2 HD2 TYR 2 0.723 1.436 -0.444
20 HE1 TYR 2 HE1 TYR 2 -1.518 4.817 -3.229
21 HE2 TYR 2 HE2 TYR 2 -1.730 1.609 -0.424
22 HH TYR 2 HH TYR 2 -3.398 4.240 -1.682
23 H GLU 3 H GLU 3 5.118 0.918 -2.807
24 HA GLU 3 HA GLU 3 7.055 3.058 -2.789
25 HB2 GLU 3 2HB GLU 3 7.476 0.065 -2.685
26 HB3 GLU 3 3HB GLU 3 8.692 1.290 -2.354
27 HG2 GLU 3 2HG GLU 3 7.214 2.095 -0.484
28 HG3 GLU 3 3HG GLU 3 6.241 0.648 -0.744
29 H ILE 4 H ILE 4 6.062 0.475 -4.960
30 HA ILE 4 HA ILE 4 8.180 0.991 -6.846
31 HB ILE 4 HB ILE 4 7.174 -1.270 -6.549
32 HG12 ILE 4 2HG1 ILE 4 6.947 -0.086 -9.325
33 HG13 ILE 4 3HG1 ILE 4 8.424 -0.689 -8.582
34 HG21 ILE 4 1HG2 ILE 4 5.018 -1.785 -7.460
35 HG22 ILE 4 2HG2 ILE 4 4.834 -0.460 -6.312
36 HG23 ILE 4 3HG2 ILE 4 4.819 -0.134 -8.045
37 HD11 ILE 4 3HD1 ILE 4 6.031 -2.235 -9.505
38 HD12 ILE 4 1HD1 ILE 4 7.713 -2.393 -10.011
39 HD13 ILE 4 2HD1 ILE 4 7.223 -2.922 -8.401
40 H THR 5 H THR 5 4.897 2.013 -6.347
41 HA THR 5 HA THR 5 4.509 3.043 -8.998
42 HB THR 5 HB THR 5 2.674 2.328 -7.352
43 HG1 THR 5 HG1 THR 5 1.821 3.264 -9.085
44 HG21 THR 5 3HG2 THR 5 3.719 3.959 -5.588
45 HG22 THR 5 1HG2 THR 5 1.970 3.755 -5.679
46 HG23 THR 5 2HG2 THR 5 2.733 5.165 -6.415
47 H THR 6 H THR 6 5.716 4.275 -5.964
48 HA THR 6 HA THR 6 5.635 7.036 -6.793
49 HB THR 6 HB THR 6 5.414 6.454 -4.415
50 HG1 THR 6 HG1 THR 6 7.823 7.890 -4.934
51 HG21 THR 6 3HG2 THR 6 8.302 5.589 -4.607
52 HG22 THR 6 1HG2 THR 6 6.926 4.505 -4.411
53 HG23 THR 6 2HG2 THR 6 7.327 5.658 -3.139
54 H ILE 7 H ILE 7 8.007 4.448 -6.654
55 HA ILE 7 HA ILE 7 10.253 6.112 -7.261
56 HB ILE 7 HB ILE 7 10.374 3.866 -6.114
57 HG12 ILE 7 2HG1 ILE 7 12.100 4.281 -8.565
58 HG13 ILE 7 3HG1 ILE 7 12.365 5.008 -6.984
59 HG21 ILE 7 1HG2 ILE 7 10.436 1.871 -7.497
60 HG22 ILE 7 2HG2 ILE 7 8.871 2.670 -7.640
61 HG23 ILE 7 3HG2 ILE 7 10.064 2.831 -8.929
62 HD11 ILE 7 3HD1 ILE 7 12.839 2.231 -7.905
63 HD12 ILE 7 1HD1 ILE 7 13.822 3.270 -6.874
64 HD13 ILE 7 2HD1 ILE 7 12.383 2.486 -6.220
65 H HIS 8 H HIS 8 7.916 4.301 -9.125
66 HA HIS 8 HA HIS 8 9.380 4.528 -11.597
67 HB2 HIS 8 2HB HIS 8 7.668 2.700 -10.911
68 HB3 HIS 8 3HB HIS 8 6.454 3.873 -11.413
69 HD1 HIS 8 HD1 HIS 8 5.944 3.989 -13.855
70 HD2 HIS 8 HD2 HIS 8 9.464 1.927 -13.072
71 HE1 HIS 8 HE1 HIS 8 6.658 3.016 -16.061
72 H ASN 9 H ASN 9 7.031 6.384 -9.861
73 HA ASN 9 HA ASN 9 6.116 7.922 -12.094
74 HB2 ASN 9 2HB ASN 9 5.592 7.785 -9.229
75 HB3 ASN 9 3HB ASN 9 5.634 9.444 -9.821
76 HD21 ASN 9 2HD2 ASN 9 2.918 6.953 -11.601
77 HD22 ASN 9 1HD2 ASN 9 4.524 6.407 -11.273
78 H LEU 10 H LEU 10 8.728 8.161 -9.799
79 HA LEU 10 HA LEU 10 9.369 10.870 -10.071
80 HB2 LEU 10 2HB LEU 10 10.436 8.643 -8.776
81 HB3 LEU 10 3HB LEU 10 11.722 9.210 -9.838
82 HG LEU 10 HG LEU 10 10.642 11.462 -8.477
83 HD11 LEU 10 1HD1 LEU 10 11.492 9.260 -6.605
84 HD12 LEU 10 2HD1 LEU 10 9.824 9.779 -6.845
85 HD13 LEU 10 3HD1 LEU 10 11.008 10.901 -6.177
86 HD21 LEU 10 3HD2 LEU 10 12.831 11.946 -8.183
87 HD22 LEU 10 1HD2 LEU 10 13.039 10.662 -9.374
88 HD23 LEU 10 2HD2 LEU 10 13.237 10.312 -7.656
89 H ALA 11 H ALA 11 10.336 8.060 -11.986
90 HA ALA 11 HA ALA 11 11.466 9.911 -13.985
91 HB1 ALA 11 1HB ALA 11 13.151 8.397 -14.521
92 HB2 ALA 11 2HB ALA 11 13.057 8.305 -12.761
93 HB3 ALA 11 3HB ALA 11 12.316 7.047 -13.751
94 H ARG 12 H ARG 12 8.818 9.525 -14.141
95 HA ARG 12 HA ARG 12 8.321 7.343 -16.021
96 HB2 ARG 12 2HB ARG 12 5.945 7.965 -15.777
97 HB3 ARG 12 3HB ARG 12 6.702 7.608 -14.231
98 HG2 ARG 12 2HG ARG 12 5.802 9.517 -13.531
99 HG3 ARG 12 3HG ARG 12 7.066 10.316 -14.468
100 HD2 ARG 12 2HD ARG 12 5.633 10.659 -16.303
101 HD3 ARG 12 3HD ARG 12 4.441 9.514 -15.688
102 HE ARG 12 HE ARG 12 4.691 12.284 -15.000
103 HH11 ARG 12 1HH1 ARG 12 3.614 9.167 -13.885
104 HH12 ARG 12 2HH1 ARG 12 2.459 9.820 -12.770
105 HH21 ARG 12 2HH2 ARG 12 2.209 12.088 -12.573
106 HH22 ARG 12 1HH2 ARG 12 3.174 13.155 -13.536
107 H LYS 13 H LYS 13 9.889 9.820 -16.640
108 HA LYS 13 HA LYS 13 8.256 11.321 -18.477
109 HB2 LYS 13 2HB LYS 13 10.329 12.504 -19.023
110 HB3 LYS 13 3HB LYS 13 10.098 12.403 -17.282
111 HG2 LYS 13 2HG LYS 13 11.586 10.154 -17.870
112 HG3 LYS 13 3HG LYS 13 12.254 11.393 -18.935
113 HD2 LYS 13 2HD LYS 13 12.361 12.891 -16.892
114 HD3 LYS 13 3HD LYS 13 12.016 11.449 -15.934
115 HE2 LYS 13 2HE LYS 13 14.005 10.371 -17.011
116 HE3 LYS 13 3HE LYS 13 14.384 11.933 -17.734
117 HZ1 LYS 13 3HZ LYS 13 14.468 12.855 -15.455
118 HZ2 LYS 13 1HZ LYS 13 15.651 11.680 -15.744
119 HZ3 LYS 13 2HZ LYS 13 14.277 11.291 -14.838
120 H LEU 14 H LEU 14 10.363 8.566 -18.619
121 HA LEU 14 HA LEU 14 11.006 8.570 -21.344
122 HB2 LEU 14 2HB LEU 14 11.272 6.104 -21.050
123 HB3 LEU 14 3HB LEU 14 12.162 7.095 -19.896
124 HG LEU 14 HG LEU 14 9.765 6.547 -18.610
125 HD11 LEU 14 1HD1 LEU 14 9.343 4.858 -20.404
126 HD12 LEU 14 2HD1 LEU 14 9.406 4.198 -18.770
127 HD13 LEU 14 3HD1 LEU 14 10.783 4.001 -19.853
128 HD21 LEU 14 3HD2 LEU 14 12.054 6.646 -17.667
129 HD22 LEU 14 1HD2 LEU 14 12.374 5.056 -18.361
130 HD23 LEU 14 2HD2 LEU 14 11.134 5.243 -17.120
131 H THR 15 H THR 15 8.150 7.449 -19.630
132 HA THR 15 HA THR 15 6.937 5.997 -21.693
133 HB THR 15 HB THR 15 4.803 6.409 -20.518
134 HG1 THR 15 HG1 THR 15 4.618 8.082 -19.240
135 HG21 THR 15 3HG2 THR 15 5.419 5.373 -18.391
136 HG22 THR 15 1HG2 THR 15 7.107 5.803 -18.660
137 HG23 THR 15 2HG2 THR 15 6.312 4.644 -19.725
138 H HIS 16 H HIS 16 6.758 9.441 -20.879
139 HA HIS 16 HA HIS 16 4.919 10.040 -22.999
140 HB2 HIS 16 2HB HIS 16 5.450 11.316 -20.729
141 HB3 HIS 16 3HB HIS 16 6.598 12.169 -21.757
142 HD1 HIS 16 HD1 HIS 16 2.892 11.295 -21.811
143 HD2 HIS 16 HD2 HIS 16 5.502 14.294 -23.015
144 HE1 HIS 16 HE1 HIS 16 1.436 13.111 -22.764
145 H ARG 17 H ARG 17 8.382 9.993 -22.606
146 HA ARG 17 HA ARG 17 8.996 11.541 -24.919
147 HB2 ARG 17 2HB ARG 17 10.643 9.589 -23.307
148 HB3 ARG 17 3HB ARG 17 11.286 10.547 -24.634
149 HG2 ARG 17 2HG ARG 17 11.145 12.522 -23.459
150 HG3 ARG 17 3HG ARG 17 9.895 11.907 -22.374
151 HD2 ARG 17 2HD ARG 17 12.109 12.177 -21.287
152 HD3 ARG 17 3HD ARG 17 11.490 10.527 -21.228
153 HE ARG 17 HE ARG 17 13.258 9.853 -22.517
154 HH11 ARG 17 1HH1 ARG 17 12.995 13.321 -22.657
155 HH12 ARG 17 2HH1 ARG 17 14.493 13.531 -23.501
156 HH21 ARG 17 2HH2 ARG 17 15.765 11.708 -24.055
157 HH22 ARG 17 1HH2 ARG 17 15.232 10.116 -23.629
158 H LEU 18 H LEU 18 8.657 8.088 -24.267
159 HA LEU 18 HA LEU 18 9.435 7.320 -26.928
160 HB2 LEU 18 2HB LEU 18 9.152 5.121 -26.238
161 HB3 LEU 18 3HB LEU 18 9.680 5.956 -24.779
162 HG LEU 18 HG LEU 18 7.045 6.107 -24.398
163 HD11 LEU 18 1HD1 LEU 18 7.304 4.321 -26.606
164 HD12 LEU 18 2HD1 LEU 18 5.845 4.849 -25.769
165 HD13 LEU 18 3HD1 LEU 18 6.719 3.425 -25.204
166 HD21 LEU 18 3HD2 LEU 18 7.259 4.032 -23.046
167 HD22 LEU 18 1HD2 LEU 18 8.574 5.182 -22.799
168 HD23 LEU 18 2HD2 LEU 18 8.830 3.752 -23.800
169 H ALA 19 H ALA 19 6.482 8.099 -25.278
170 HA ALA 19 HA ALA 19 4.658 6.854 -27.038
171 HB1 ALA 19 1HB ALA 19 3.231 8.943 -26.104
172 HB2 ALA 19 2HB ALA 19 3.514 7.459 -25.194
173 HB3 ALA 19 3HB ALA 19 4.521 8.877 -24.903
174 H ARG 20 H ARG 20 6.501 9.785 -27.243
175 HA ARG 20 HA ARG 20 5.008 10.586 -29.648
176 HB2 ARG 20 2HB ARG 20 6.489 12.089 -27.558
177 HB3 ARG 20 3HB ARG 20 6.582 12.711 -29.201
178 HG2 ARG 20 2HG ARG 20 4.741 13.834 -28.551
179 HG3 ARG 20 3HG ARG 20 3.942 12.338 -29.038
180 HD2 ARG 20 2HD ARG 20 3.584 11.664 -26.871
181 HD3 ARG 20 3HD ARG 20 4.950 12.587 -26.246
182 HE ARG 20 HE ARG 20 3.552 14.367 -25.934
183 HH11 ARG 20 1HH1 ARG 20 2.036 12.105 -28.103
184 HH12 ARG 20 2HH1 ARG 20 0.520 12.944 -28.128
185 HH21 ARG 20 2HH2 ARG 20 0.252 14.865 -26.909
186 HH22 ARG 20 1HH2 ARG 20 1.561 15.481 -25.959
187 H ARG 21 H ARG 21 8.306 10.238 -28.368
188 HA ARG 21 HA ARG 21 9.397 10.366 -31.068
189 HB2 ARG 21 2HB ARG 21 10.377 11.405 -28.834
190 HB3 ARG 21 3HB ARG 21 11.097 9.808 -28.682
191 HG2 ARG 21 2HG ARG 21 11.466 11.751 -30.951
192 HG3 ARG 21 3HG ARG 21 12.661 11.284 -29.739
193 HD2 ARG 21 2HD ARG 21 12.630 8.994 -30.577
194 HD3 ARG 21 3HD ARG 21 11.406 9.437 -31.767
195 HE ARG 21 HE ARG 21 14.222 9.882 -31.951
196 HH11 ARG 21 1HH1 ARG 21 11.107 11.113 -32.899
197 HH12 ARG 21 2HH1 ARG 21 11.708 11.910 -34.316
198 HH21 ARG 21 2HH2 ARG 21 13.937 11.802 -34.835
199 HH22 ARG 21 1HH2 ARG 21 15.026 10.926 -33.813
200 H ASN 22 H ASN 22 8.280 8.349 -31.667
201 HA ASN 22 HA ASN 22 9.787 5.981 -30.767
202 HB2 ASN 22 2HB ASN 22 7.625 4.775 -31.655
203 HB3 ASN 22 3HB ASN 22 7.649 5.478 -30.040
204 HD21 ASN 22 2HD2 ASN 22 4.771 7.234 -30.735
205 HD22 ASN 22 1HD2 ASN 22 5.681 6.216 -29.676
206 H ALA 23 H ALA 23 11.352 6.251 -32.399
207 HA ALA 23 HA ALA 23 10.392 5.931 -35.160
208 HB1 ALA 23 1HB ALA 23 13.029 6.428 -35.452
209 HB2 ALA 23 2HB ALA 23 11.788 7.681 -35.407
210 HB3 ALA 23 3HB ALA 23 12.703 7.293 -33.950
211 H GLY 24 H GLY 24 12.362 4.482 -32.661
212 HA2 GLY 24 2HA GLY 24 13.058 2.283 -34.498
213 HA3 GLY 24 3HA GLY 24 13.927 2.674 -33.022
214 H ALA 25 H ALA 25 10.445 2.640 -33.118
215 HA ALA 25 HA ALA 25 10.472 0.360 -31.275
216 HB1 ALA 25 1HB ALA 25 8.110 1.093 -30.793
217 HB2 ALA 25 2HB ALA 25 9.373 2.237 -30.337
218 HB3 ALA 25 3HB ALA 25 8.429 2.504 -31.802
219 H THR 26 H THR 26 10.807 -0.058 -34.101
220 HA THR 26 HA THR 26 8.301 -0.958 -35.187
221 HB THR 26 HB THR 26 10.092 -0.151 -36.667
222 HG1 THR 26 HG1 THR 26 9.583 -2.923 -37.092
223 HG21 THR 26 3HG2 THR 26 11.796 -1.579 -35.094
224 HG22 THR 26 1HG2 THR 26 12.195 -0.962 -36.697
225 HG23 THR 26 2HG2 THR 26 11.659 -2.631 -36.502
226 H LEU 27 H LEU 27 10.999 -2.396 -33.480
227 HA LEU 27 HA LEU 27 10.322 -5.106 -34.012
228 HB2 LEU 27 2HB LEU 27 11.976 -3.824 -31.847
229 HB3 LEU 27 3HB LEU 27 11.804 -5.567 -32.037
230 HG LEU 27 HG LEU 27 12.730 -4.098 -34.423
231 HD11 LEU 27 1HD1 LEU 27 13.973 -2.880 -32.772
232 HD12 LEU 27 2HD1 LEU 27 15.055 -4.030 -33.557
233 HD13 LEU 27 3HD1 LEU 27 14.424 -4.372 -31.946
234 HD21 LEU 27 3HD2 LEU 27 12.458 -6.640 -34.020
235 HD22 LEU 27 1HD2 LEU 27 13.980 -6.495 -33.140
236 HD23 LEU 27 2HD2 LEU 27 13.903 -6.052 -34.845
237 H ARG 28 H ARG 28 10.301 -3.570 -30.805
238 HA ARG 28 HA ARG 28 7.877 -5.112 -30.182
239 HB2 ARG 28 2HB ARG 28 10.012 -3.953 -28.386
240 HB3 ARG 28 3HB ARG 28 8.528 -4.687 -27.792
241 HG2 ARG 28 2HG ARG 28 9.830 -6.516 -27.665
242 HG3 ARG 28 3HG ARG 28 9.399 -6.669 -29.369
243 HD2 ARG 28 2HD ARG 28 11.481 -6.173 -30.070
244 HD3 ARG 28 3HD ARG 28 11.717 -4.949 -28.823
245 HE ARG 28 HE ARG 28 12.744 -6.527 -27.525
246 HH11 ARG 28 1HH1 ARG 28 10.957 -8.124 -30.050
247 HH12 ARG 28 2HH1 ARG 28 11.586 -9.696 -29.680
248 HH21 ARG 28 2HH2 ARG 28 13.077 -9.960 -27.962
249 HH22 ARG 28 1HH2 ARG 28 13.580 -8.590 -27.029
Start of MODEL 7
1 H1 LYS 1 H LYS 1 2.867 0.115 0.411
2 HA LYS 1 HA LYS 1 3.270 -0.068 -1.836
3 HB2 LYS 1 2HB LYS 1 0.460 0.235 -1.735
4 HB3 LYS 1 3HB LYS 1 1.039 1.338 -2.977
5 HG2 LYS 1 2HG LYS 1 1.290 -0.338 -4.396
6 HG3 LYS 1 3HG LYS 1 2.366 -1.171 -3.271
7 HD2 LYS 1 2HD LYS 1 0.729 -2.540 -2.515
8 HD3 LYS 1 3HD LYS 1 -0.517 -1.297 -2.645
9 HE2 LYS 1 2HE LYS 1 0.690 -2.802 -4.964
10 HE3 LYS 1 3HE LYS 1 -0.863 -3.169 -4.215
11 HZ1 LYS 1 3HZ LYS 1 -0.773 -0.438 -4.894
12 HZ2 LYS 1 1HZ LYS 1 -1.819 -1.636 -5.468
13 HZ3 LYS 1 2HZ LYS 1 -0.348 -1.352 -6.252
14 H TYR 2 H TYR 2 3.826 2.281 -0.096
15 HA TYR 2 HA TYR 2 3.705 4.581 -1.825
16 HB2 TYR 2 2HB TYR 2 4.630 4.012 0.932
17 HB3 TYR 2 3HB TYR 2 5.426 5.346 0.104
18 HD1 TYR 2 HD1 TYR 2 4.598 7.255 1.159
19 HD2 TYR 2 HD2 TYR 2 1.876 4.242 -0.111
20 HE1 TYR 2 HE1 TYR 2 2.712 8.732 1.718
21 HE2 TYR 2 HE2 TYR 2 -0.017 5.711 0.443
22 HH TYR 2 HH TYR 2 -0.533 7.997 0.794
23 H GLU 3 H GLU 3 5.843 1.957 -1.350
24 HA GLU 3 HA GLU 3 8.203 3.309 -2.314
25 HB2 GLU 3 2HB GLU 3 9.244 1.087 -2.235
26 HB3 GLU 3 3HB GLU 3 8.428 1.472 -0.726
27 HG2 GLU 3 2HG GLU 3 6.449 0.184 -2.003
28 HG3 GLU 3 3HG GLU 3 7.848 -0.615 -2.717
29 H ILE 4 H ILE 4 5.708 1.206 -3.614
30 HA ILE 4 HA ILE 4 7.016 0.907 -6.166
31 HB ILE 4 HB ILE 4 5.513 -0.841 -5.221
32 HG12 ILE 4 2HG1 ILE 4 4.662 0.313 -7.886
33 HG13 ILE 4 3HG1 ILE 4 6.028 -0.766 -7.623
34 HG21 ILE 4 1HG2 ILE 4 3.094 -0.535 -5.365
35 HG22 ILE 4 2HG2 ILE 4 3.822 0.636 -4.265
36 HG23 ILE 4 3HG2 ILE 4 3.332 1.133 -5.885
37 HD11 ILE 4 3HD1 ILE 4 4.099 -2.275 -6.577
38 HD12 ILE 4 1HD1 ILE 4 3.138 -1.350 -7.731
39 HD13 ILE 4 2HD1 ILE 4 4.516 -2.299 -8.290
40 H THR 5 H THR 5 4.653 3.024 -4.734
41 HA THR 5 HA THR 5 3.687 4.096 -7.213
42 HB THR 5 HB THR 5 2.437 4.097 -4.985
43 HG1 THR 5 HG1 THR 5 1.609 5.278 -6.696
44 HG21 THR 5 3HG2 THR 5 2.814 5.961 -3.496
45 HG22 THR 5 1HG2 THR 5 4.106 6.571 -4.528
46 HG23 THR 5 2HG2 THR 5 4.313 5.049 -3.662
47 H THR 6 H THR 6 6.237 4.874 -4.955
48 HA THR 6 HA THR 6 6.764 7.468 -6.101
49 HB THR 6 HB THR 6 7.236 7.059 -3.728
50 HG1 THR 6 HG1 THR 6 8.648 8.419 -5.293
51 HG21 THR 6 3HG2 THR 6 9.446 5.238 -4.681
52 HG22 THR 6 1HG2 THR 6 7.922 4.677 -3.995
53 HG23 THR 6 2HG2 THR 6 9.035 5.628 -3.011
54 H ILE 7 H ILE 7 8.062 4.213 -6.370
55 HA ILE 7 HA ILE 7 10.344 4.964 -7.921
56 HB ILE 7 HB ILE 7 10.144 2.848 -6.558
57 HG12 ILE 7 2HG1 ILE 7 10.908 2.570 -9.473
58 HG13 ILE 7 3HG1 ILE 7 11.942 3.195 -8.193
59 HG21 ILE 7 1HG2 ILE 7 9.047 0.932 -7.539
60 HG22 ILE 7 2HG2 ILE 7 7.883 2.242 -7.342
61 HG23 ILE 7 3HG2 ILE 7 8.554 1.891 -8.934
62 HD11 ILE 7 3HD1 ILE 7 11.568 0.906 -7.080
63 HD12 ILE 7 1HD1 ILE 7 11.030 0.393 -8.679
64 HD13 ILE 7 2HD1 ILE 7 12.665 1.016 -8.457
65 H HIS 8 H HIS 8 7.046 4.047 -8.624
66 HA HIS 8 HA HIS 8 7.513 3.684 -11.445
67 HB2 HIS 8 2HB HIS 8 5.699 2.533 -10.060
68 HB3 HIS 8 3HB HIS 8 4.833 4.065 -10.116
69 HD1 HIS 8 HD1 HIS 8 6.363 1.618 -12.600
70 HD2 HIS 8 HD2 HIS 8 3.168 4.249 -12.235
71 HE1 HIS 8 HE1 HIS 8 5.018 1.340 -14.707
72 H ASN 9 H ASN 9 6.673 6.288 -9.327
73 HA ASN 9 HA ASN 9 5.593 7.993 -11.371
74 HB2 ASN 9 2HB ASN 9 4.959 8.188 -8.972
75 HB3 ASN 9 3HB ASN 9 6.595 8.730 -8.613
76 HD21 ASN 9 2HD2 ASN 9 3.983 11.200 -10.552
77 HD22 ASN 9 1HD2 ASN 9 3.748 9.488 -10.554
78 H LEU 10 H LEU 10 8.733 7.268 -10.121
79 HA LEU 10 HA LEU 10 9.987 9.659 -11.122
80 HB2 LEU 10 2HB LEU 10 11.197 8.887 -9.359
81 HB3 LEU 10 3HB LEU 10 10.850 7.198 -9.722
82 HG LEU 10 HG LEU 10 12.518 7.255 -11.524
83 HD11 LEU 10 1HD1 LEU 10 13.912 9.634 -10.788
84 HD12 LEU 10 2HD1 LEU 10 12.256 10.045 -11.232
85 HD13 LEU 10 3HD1 LEU 10 13.277 9.158 -12.364
86 HD21 LEU 10 3HD2 LEU 10 13.493 6.410 -9.635
87 HD22 LEU 10 1HD2 LEU 10 13.225 7.883 -8.703
88 HD23 LEU 10 2HD2 LEU 10 14.516 7.823 -9.904
89 H ALA 11 H ALA 11 9.587 6.325 -12.175
90 HA ALA 11 HA ALA 11 11.089 6.905 -14.628
91 HB1 ALA 11 1HB ALA 11 10.824 4.399 -14.988
92 HB2 ALA 11 2HB ALA 11 11.863 4.911 -13.658
93 HB3 ALA 11 3HB ALA 11 10.228 4.337 -13.329
94 H ARG 12 H ARG 12 8.349 7.891 -14.022
95 HA ARG 12 HA ARG 12 6.565 6.401 -15.713
96 HB2 ARG 12 2HB ARG 12 4.951 8.124 -15.235
97 HB3 ARG 12 3HB ARG 12 5.794 7.718 -13.747
98 HG2 ARG 12 2HG ARG 12 5.979 9.935 -13.519
99 HG3 ARG 12 3HG ARG 12 7.317 9.764 -14.657
100 HD2 ARG 12 2HD ARG 12 6.173 11.340 -15.800
101 HD3 ARG 12 3HD ARG 12 5.269 9.943 -16.384
102 HE ARG 12 HE ARG 12 3.999 10.743 -14.078
103 HH11 ARG 12 1HH1 ARG 12 4.775 12.167 -17.158
104 HH12 ARG 12 2HH1 ARG 12 3.397 13.216 -17.168
105 HH21 ARG 12 2HH2 ARG 12 1.921 13.189 -15.415
106 HH22 ARG 12 1HH2 ARG 12 2.180 12.119 -14.079
107 H LYS 13 H LYS 13 8.723 9.108 -16.068
108 HA LYS 13 HA LYS 13 7.634 10.049 -18.541
109 HB2 LYS 13 2HB LYS 13 9.559 11.491 -18.643
110 HB3 LYS 13 3HB LYS 13 8.970 11.465 -16.986
111 HG2 LYS 13 2HG LYS 13 11.154 11.188 -16.523
112 HG3 LYS 13 3HG LYS 13 10.779 9.493 -16.842
113 HD2 LYS 13 2HD LYS 13 12.419 9.566 -18.358
114 HD3 LYS 13 3HD LYS 13 11.308 10.513 -19.351
115 HE2 LYS 13 2HE LYS 13 12.236 12.513 -17.942
116 HE3 LYS 13 3HE LYS 13 13.588 11.421 -17.650
117 HZ1 LYS 13 3HZ LYS 13 12.589 12.139 -20.351
118 HZ2 LYS 13 1HZ LYS 13 13.987 11.259 -19.982
119 HZ3 LYS 13 2HZ LYS 13 13.893 12.901 -19.589
120 H LEU 14 H LEU 14 10.096 7.740 -17.610
121 HA LEU 14 HA LEU 14 11.308 7.453 -20.153
122 HB2 LEU 14 2HB LEU 14 11.124 5.407 -17.948
123 HB3 LEU 14 3HB LEU 14 12.292 5.433 -19.267
124 HG LEU 14 HG LEU 14 12.171 7.681 -17.288
125 HD11 LEU 14 1HD1 LEU 14 14.258 5.882 -16.615
126 HD12 LEU 14 2HD1 LEU 14 12.743 4.980 -16.638
127 HD13 LEU 14 3HD1 LEU 14 12.899 6.415 -15.624
128 HD21 LEU 14 3HD2 LEU 14 14.620 6.587 -18.591
129 HD22 LEU 14 1HD2 LEU 14 14.256 8.234 -18.077
130 HD23 LEU 14 2HD2 LEU 14 13.511 7.581 -19.536
131 H THR 15 H THR 15 8.390 6.224 -18.766
132 HA THR 15 HA THR 15 8.073 4.051 -20.622
133 HB THR 15 HB THR 15 6.534 5.162 -18.368
134 HG1 THR 15 HG1 THR 15 6.938 2.553 -19.449
135 HG21 THR 15 3HG2 THR 15 5.166 3.904 -20.742
136 HG22 THR 15 1HG2 THR 15 4.810 5.458 -19.990
137 HG23 THR 15 2HG2 THR 15 4.454 3.960 -19.130
138 H HIS 16 H HIS 16 7.188 7.416 -20.487
139 HA HIS 16 HA HIS 16 5.270 7.244 -22.633
140 HB2 HIS 16 2HB HIS 16 5.480 8.997 -20.659
141 HB3 HIS 16 3HB HIS 16 6.507 9.837 -21.816
142 HD1 HIS 16 HD1 HIS 16 5.370 10.849 -23.896
143 HD2 HIS 16 HD2 HIS 16 2.750 8.936 -21.300
144 HE1 HIS 16 HE1 HIS 16 3.067 11.532 -24.641
145 H ARG 17 H ARG 17 8.670 7.955 -22.275
146 HA ARG 17 HA ARG 17 9.031 9.100 -24.861
147 HB2 ARG 17 2HB ARG 17 10.966 7.901 -22.878
148 HB3 ARG 17 3HB ARG 17 11.471 8.619 -24.402
149 HG2 ARG 17 2HG ARG 17 9.993 10.040 -22.197
150 HG3 ARG 17 3HG ARG 17 11.718 10.175 -22.542
151 HD2 ARG 17 2HD ARG 17 10.445 10.683 -24.971
152 HD3 ARG 17 3HD ARG 17 9.482 11.533 -23.763
153 HE ARG 17 HE ARG 17 12.287 11.991 -23.451
154 HH11 ARG 17 1HH1 ARG 17 9.448 12.954 -25.222
155 HH12 ARG 17 2HH1 ARG 17 10.050 14.539 -25.580
156 HH21 ARG 17 2HH2 ARG 17 12.122 15.175 -24.837
157 HH22 ARG 17 1HH2 ARG 17 13.090 14.075 -23.916
158 H LEU 18 H LEU 18 9.373 5.850 -23.522
159 HA LEU 18 HA LEU 18 10.347 4.744 -25.996
160 HB2 LEU 18 2HB LEU 18 10.542 2.727 -24.871
161 HB3 LEU 18 3HB LEU 18 10.829 3.927 -23.613
162 HG LEU 18 HG LEU 18 8.217 3.564 -23.228
163 HD11 LEU 18 1HD1 LEU 18 8.684 1.671 -25.161
164 HD12 LEU 18 2HD1 LEU 18 7.328 1.685 -24.034
165 HD13 LEU 18 3HD1 LEU 18 8.770 0.739 -23.666
166 HD21 LEU 18 3HD2 LEU 18 8.783 2.327 -21.343
167 HD22 LEU 18 1HD2 LEU 18 10.273 3.194 -21.716
168 HD23 LEU 18 2HD2 LEU 18 10.106 1.496 -22.163
169 H ALA 19 H ALA 19 7.274 5.239 -24.475
170 HA ALA 19 HA ALA 19 5.748 3.297 -25.813
171 HB1 ALA 19 1HB ALA 19 4.511 4.185 -24.138
172 HB2 ALA 19 2HB ALA 19 5.181 5.803 -24.350
173 HB3 ALA 19 3HB ALA 19 3.925 5.218 -25.441
174 H ARG 20 H ARG 20 7.019 6.361 -26.844
175 HA ARG 20 HA ARG 20 5.287 6.712 -29.084
176 HB2 ARG 20 2HB ARG 20 7.407 8.157 -27.828
177 HB3 ARG 20 3HB ARG 20 7.774 8.013 -29.541
178 HG2 ARG 20 2HG ARG 20 6.570 10.048 -29.168
179 HG3 ARG 20 3HG ARG 20 5.533 8.928 -30.054
180 HD2 ARG 20 2HD ARG 20 4.122 8.615 -28.280
181 HD3 ARG 20 3HD ARG 20 5.380 8.934 -27.086
182 HE ARG 20 HE ARG 20 3.622 10.852 -28.309
183 HH11 ARG 20 1HH1 ARG 20 6.683 10.373 -26.720
184 HH12 ARG 20 2HH1 ARG 20 6.801 12.012 -26.169
185 HH21 ARG 20 2HH2 ARG 20 5.141 13.512 -26.664
186 HH22 ARG 20 1HH2 ARG 20 3.767 13.012 -27.590
187 H ARG 21 H ARG 21 5.252 4.892 -30.355
188 HA ARG 21 HA ARG 21 7.789 3.893 -31.420
189 HB2 ARG 21 2HB ARG 21 6.531 1.977 -32.202
190 HB3 ARG 21 3HB ARG 21 6.167 2.263 -30.505
191 HG2 ARG 21 2HG ARG 21 4.006 2.404 -30.953
192 HG3 ARG 21 3HG ARG 21 4.296 3.690 -32.126
193 HD2 ARG 21 2HD ARG 21 3.273 2.027 -33.390
194 HD3 ARG 21 3HD ARG 21 4.989 1.792 -33.717
195 HE ARG 21 HE ARG 21 4.225 0.183 -31.540
196 HH11 ARG 21 1HH1 ARG 21 3.796 0.437 -34.986
197 HH12 ARG 21 2HH1 ARG 21 3.564 -1.265 -35.214
198 HH21 ARG 21 2HH2 ARG 21 3.634 -2.684 -33.416
199 HH22 ARG 21 1HH2 ARG 21 3.921 -2.059 -31.827
200 H ASN 22 H ASN 22 6.996 6.435 -32.297
201 HA ASN 22 HA ASN 22 6.250 5.893 -35.097
202 HB2 ASN 22 2HB ASN 22 4.943 7.556 -33.315
203 HB3 ASN 22 3HB ASN 22 5.954 8.670 -34.230
204 HD21 ASN 22 2HD2 ASN 22 4.288 8.131 -37.305
205 HD22 ASN 22 1HD2 ASN 22 5.821 8.501 -36.599
206 H ALA 23 H ALA 23 8.404 7.583 -32.914
207 HA ALA 23 HA ALA 23 9.993 8.523 -35.204
208 HB1 ALA 23 1HB ALA 23 9.350 10.295 -33.698
209 HB2 ALA 23 2HB ALA 23 10.018 9.415 -32.324
210 HB3 ALA 23 3HB ALA 23 11.089 10.029 -33.582
211 H GLY 24 H GLY 24 9.995 6.403 -32.460
212 HA2 GLY 24 2HA GLY 24 12.852 5.814 -32.896
213 HA3 GLY 24 3HA GLY 24 11.969 5.471 -31.415
214 H ALA 25 H ALA 25 10.912 4.799 -34.717
215 HA ALA 25 HA ALA 25 10.607 1.987 -33.986
216 HB1 ALA 25 1HB ALA 25 8.680 2.298 -35.057
217 HB2 ALA 25 2HB ALA 25 9.229 3.820 -35.759
218 HB3 ALA 25 3HB ALA 25 9.617 2.293 -36.551
219 H THR 26 H THR 26 12.502 4.061 -36.024
220 HA THR 26 HA THR 26 13.435 2.170 -37.884
221 HB THR 26 HB THR 26 13.743 4.582 -38.208
222 HG1 THR 26 HG1 THR 26 16.341 3.481 -38.034
223 HG21 THR 26 3HG2 THR 26 14.999 5.941 -36.862
224 HG22 THR 26 1HG2 THR 26 16.057 4.632 -36.339
225 HG23 THR 26 2HG2 THR 26 14.439 4.784 -35.656
226 H LEU 27 H LEU 27 14.274 2.776 -34.576
227 HA LEU 27 HA LEU 27 16.838 1.599 -34.545
228 HB2 LEU 27 2HB LEU 27 14.758 1.957 -32.400
229 HB3 LEU 27 3HB LEU 27 16.360 1.291 -32.087
230 HG LEU 27 HG LEU 27 16.032 4.001 -33.330
231 HD11 LEU 27 1HD1 LEU 27 15.149 4.828 -31.475
232 HD12 LEU 27 2HD1 LEU 27 16.581 4.303 -30.590
233 HD13 LEU 27 3HD1 LEU 27 15.179 3.240 -30.708
234 HD21 LEU 27 3HD2 LEU 27 18.241 4.251 -32.929
235 HD22 LEU 27 1HD2 LEU 27 18.223 2.488 -32.979
236 HD23 LEU 27 2HD2 LEU 27 18.186 3.326 -31.427
237 H ARG 28 H ARG 28 13.981 0.193 -32.962
238 HA ARG 28 HA ARG 28 14.988 -2.432 -33.010
239 HB2 ARG 28 2HB ARG 28 12.600 -1.091 -32.109
240 HB3 ARG 28 3HB ARG 28 12.182 -2.605 -32.900
241 HG2 ARG 28 2HG ARG 28 13.849 -3.738 -31.417
242 HG3 ARG 28 3HG ARG 28 14.008 -2.213 -30.544
243 HD2 ARG 28 2HD ARG 28 11.301 -3.397 -30.981
244 HD3 ARG 28 3HD ARG 28 12.339 -4.042 -29.711
245 HE ARG 28 HE ARG 28 10.980 -1.505 -29.724
246 HH11 ARG 28 1HH1 ARG 28 13.631 -3.339 -28.407
247 HH12 ARG 28 2HH1 ARG 28 13.755 -2.376 -26.972
248 HH21 ARG 28 2HH2 ARG 28 12.334 -0.609 -26.649
249 HH22 ARG 28 1HH2 ARG 28 11.134 -0.230 -27.838
Start of MODEL 8
1 H1 LYS 1 H LYS 1 1.084 1.018 2.250
2 HA LYS 1 HA LYS 1 3.284 1.736 1.899
3 HB2 LYS 1 2HB LYS 1 3.507 -0.865 0.382
4 HB3 LYS 1 3HB LYS 1 4.783 0.345 0.407
5 HG2 LYS 1 2HG LYS 1 4.968 0.122 2.823
6 HG3 LYS 1 3HG LYS 1 3.663 -1.067 2.820
7 HD2 LYS 1 2HD LYS 1 5.133 -2.386 1.181
8 HD3 LYS 1 3HD LYS 1 6.439 -1.317 1.699
9 HE2 LYS 1 2HE LYS 1 6.437 -2.147 3.857
10 HE3 LYS 1 3HE LYS 1 4.776 -2.728 3.742
11 HZ1 LYS 1 3HZ LYS 1 5.525 -4.472 2.249
12 HZ2 LYS 1 1HZ LYS 1 6.359 -4.552 3.719
13 HZ3 LYS 1 2HZ LYS 1 7.119 -3.912 2.351
14 H TYR 2 H TYR 2 1.011 2.617 0.627
15 HA TYR 2 HA TYR 2 1.088 2.595 -2.176
16 HB2 TYR 2 2HB TYR 2 -0.407 3.928 -0.118
17 HB3 TYR 2 3HB TYR 2 0.048 5.094 -1.355
18 HD1 TYR 2 HD1 TYR 2 -2.118 2.345 -0.504
19 HD2 TYR 2 HD2 TYR 2 -0.601 4.646 -3.745
20 HE1 TYR 2 HE1 TYR 2 -3.956 1.541 -1.928
21 HE2 TYR 2 HE2 TYR 2 -2.435 3.850 -5.177
22 HH TYR 2 HH TYR 2 -4.478 1.263 -4.278
23 H GLU 3 H GLU 3 3.082 4.173 0.105
24 HA GLU 3 HA GLU 3 3.859 6.465 -1.300
25 HB2 GLU 3 2HB GLU 3 5.852 6.456 0.105
26 HB3 GLU 3 3HB GLU 3 4.426 6.068 1.057
27 HG2 GLU 3 2HG GLU 3 5.122 3.970 1.503
28 HG3 GLU 3 3HG GLU 3 5.908 3.779 -0.063
29 H ILE 4 H ILE 4 4.499 3.159 -1.899
30 HA ILE 4 HA ILE 4 6.923 3.567 -3.399
31 HB ILE 4 HB ILE 4 6.335 1.423 -2.208
32 HG12 ILE 4 2HG1 ILE 4 6.971 1.251 -5.162
33 HG13 ILE 4 3HG1 ILE 4 8.133 1.545 -3.873
34 HG21 ILE 4 1HG2 ILE 4 4.790 0.517 -4.554
35 HG22 ILE 4 2HG2 ILE 4 4.638 0.077 -2.853
36 HG23 ILE 4 3HG2 ILE 4 3.956 1.596 -3.435
37 HD11 ILE 4 3HD1 ILE 4 8.414 -0.697 -4.309
38 HD12 ILE 4 1HD1 ILE 4 7.299 -0.719 -2.943
39 HD13 ILE 4 2HD1 ILE 4 6.693 -0.968 -4.581
40 H THR 5 H THR 5 3.546 3.701 -4.028
41 HA THR 5 HA THR 5 3.691 3.206 -6.846
42 HB THR 5 HB THR 5 1.388 3.819 -6.949
43 HG1 THR 5 HG1 THR 5 0.917 5.558 -5.823
44 HG21 THR 5 3HG2 THR 5 0.395 2.469 -5.150
45 HG22 THR 5 1HG2 THR 5 1.932 2.496 -4.288
46 HG23 THR 5 2HG2 THR 5 1.811 1.684 -5.849
47 H THR 6 H THR 6 3.659 6.072 -4.790
48 HA THR 6 HA THR 6 3.521 7.928 -6.963
49 HB THR 6 HB THR 6 2.721 8.581 -4.755
50 HG1 THR 6 HG1 THR 6 4.194 10.537 -4.579
51 HG21 THR 6 3HG2 THR 6 4.231 8.940 -2.894
52 HG22 THR 6 1HG2 THR 6 5.606 8.427 -3.871
53 HG23 THR 6 2HG2 THR 6 4.352 7.266 -3.434
54 H ILE 7 H ILE 7 6.104 6.523 -5.023
55 HA ILE 7 HA ILE 7 8.167 8.186 -6.090
56 HB ILE 7 HB ILE 7 8.269 6.944 -3.888
57 HG12 ILE 7 2HG1 ILE 7 10.555 6.564 -5.834
58 HG13 ILE 7 3HG1 ILE 7 10.235 8.016 -4.891
59 HG21 ILE 7 1HG2 ILE 7 8.916 4.650 -3.851
60 HG22 ILE 7 2HG2 ILE 7 7.477 4.779 -4.862
61 HG23 ILE 7 3HG2 ILE 7 9.065 4.604 -5.608
62 HD11 ILE 7 3HD1 ILE 7 11.489 7.208 -3.267
63 HD12 ILE 7 1HD1 ILE 7 10.371 5.858 -3.081
64 HD13 ILE 7 2HD1 ILE 7 11.744 5.721 -4.179
65 H HIS 8 H HIS 8 6.744 5.118 -6.977
66 HA HIS 8 HA HIS 8 8.798 4.471 -8.893
67 HB2 HIS 8 2HB HIS 8 7.397 2.774 -7.635
68 HB3 HIS 8 3HB HIS 8 6.053 3.232 -8.676
69 HD1 HIS 8 HD1 HIS 8 5.891 2.057 -10.867
70 HD2 HIS 8 HD2 HIS 8 9.641 1.637 -9.129
71 HE1 HIS 8 HE1 HIS 8 7.127 0.420 -12.323
72 H ASN 9 H ASN 9 5.840 6.245 -8.864
73 HA ASN 9 HA ASN 9 5.406 6.125 -11.708
74 HB2 ASN 9 2HB ASN 9 4.115 7.514 -9.402
75 HB3 ASN 9 3HB ASN 9 3.840 8.154 -11.019
76 HD21 ASN 9 2HD2 ASN 9 1.163 5.748 -10.255
77 HD22 ASN 9 1HD2 ASN 9 1.746 7.229 -9.582
78 H LEU 10 H LEU 10 6.974 8.284 -9.441
79 HA LEU 10 HA LEU 10 7.240 10.545 -11.068
80 HB2 LEU 10 2HB LEU 10 8.713 11.350 -9.496
81 HB3 LEU 10 3HB LEU 10 7.783 10.180 -8.562
82 HG LEU 10 HG LEU 10 9.800 8.597 -9.276
83 HD11 LEU 10 1HD1 LEU 10 11.734 10.520 -8.760
84 HD12 LEU 10 2HD1 LEU 10 10.689 11.255 -9.975
85 HD13 LEU 10 3HD1 LEU 10 11.444 9.693 -10.291
86 HD21 LEU 10 3HD2 LEU 10 8.940 9.802 -6.973
87 HD22 LEU 10 1HD2 LEU 10 10.616 10.341 -7.081
88 HD23 LEU 10 2HD2 LEU 10 10.243 8.617 -7.084
89 H ALA 11 H ALA 11 8.918 7.510 -11.074
90 HA ALA 11 HA ALA 11 10.846 8.547 -13.040
91 HB1 ALA 11 1HB ALA 11 10.956 6.038 -11.370
92 HB2 ALA 11 2HB ALA 11 12.168 6.528 -12.555
93 HB3 ALA 11 3HB ALA 11 11.892 7.511 -11.117
94 H ARG 12 H ARG 12 8.441 8.288 -14.138
95 HA ARG 12 HA ARG 12 8.325 5.643 -15.401
96 HB2 ARG 12 2HB ARG 12 6.092 6.335 -16.187
97 HB3 ARG 12 3HB ARG 12 6.233 6.412 -14.435
98 HG2 ARG 12 2HG ARG 12 5.364 8.451 -14.616
99 HG3 ARG 12 3HG ARG 12 6.951 8.944 -15.210
100 HD2 ARG 12 2HD ARG 12 6.277 8.895 -17.429
101 HD3 ARG 12 3HD ARG 12 4.920 7.820 -17.095
102 HE ARG 12 HE ARG 12 4.362 10.137 -15.733
103 HH11 ARG 12 1HH1 ARG 12 4.993 9.265 -19.044
104 HH12 ARG 12 2HH1 ARG 12 4.009 10.530 -19.702
105 HH21 ARG 12 2HH2 ARG 12 2.913 11.976 -18.303
106 HH22 ARG 12 1HH2 ARG 12 3.064 11.807 -16.587
107 H LYS 13 H LYS 13 10.271 7.836 -16.019
108 HA LYS 13 HA LYS 13 9.621 9.010 -18.501
109 HB2 LYS 13 2HB LYS 13 11.432 9.842 -17.068
110 HB3 LYS 13 3HB LYS 13 12.336 8.358 -17.339
111 HG2 LYS 13 2HG LYS 13 11.814 9.268 -19.890
112 HG3 LYS 13 3HG LYS 13 12.139 10.742 -18.976
113 HD2 LYS 13 2HD LYS 13 14.084 8.970 -18.109
114 HD3 LYS 13 3HD LYS 13 13.957 8.651 -19.840
115 HE2 LYS 13 2HE LYS 13 14.711 10.722 -20.415
116 HE3 LYS 13 3HE LYS 13 14.035 11.486 -18.978
117 HZ1 LYS 13 3HZ LYS 13 16.254 9.608 -18.628
118 HZ2 LYS 13 1HZ LYS 13 15.862 10.993 -17.739
119 HZ3 LYS 13 2HZ LYS 13 16.603 11.141 -19.252
120 H LEU 14 H LEU 14 10.994 5.912 -17.619
121 HA LEU 14 HA LEU 14 12.010 5.135 -20.107
122 HB2 LEU 14 2HB LEU 14 12.102 2.959 -19.258
123 HB3 LEU 14 3HB LEU 14 12.299 4.006 -17.854
124 HG LEU 14 HG LEU 14 9.679 2.724 -18.608
125 HD11 LEU 14 1HD1 LEU 14 11.912 1.347 -17.801
126 HD12 LEU 14 2HD1 LEU 14 10.242 0.818 -17.596
127 HD13 LEU 14 3HD1 LEU 14 11.068 1.656 -16.283
128 HD21 LEU 14 3HD2 LEU 14 9.076 4.369 -17.161
129 HD22 LEU 14 1HD2 LEU 14 10.663 4.432 -16.395
130 HD23 LEU 14 2HD2 LEU 14 9.537 3.138 -15.984
131 H THR 15 H THR 15 8.755 5.232 -18.878
132 HA THR 15 HA THR 15 7.616 3.546 -20.890
133 HB THR 15 HB THR 15 6.701 4.563 -18.501
134 HG1 THR 15 HG1 THR 15 5.339 3.336 -20.677
135 HG21 THR 15 3HG2 THR 15 5.036 5.815 -20.683
136 HG22 THR 15 1HG2 THR 15 6.188 6.708 -19.691
137 HG23 THR 15 2HG2 THR 15 4.789 5.939 -18.942
138 H HIS 16 H HIS 16 8.377 6.928 -20.629
139 HA HIS 16 HA HIS 16 6.723 7.728 -22.849
140 HB2 HIS 16 2HB HIS 16 7.379 9.219 -20.904
141 HB3 HIS 16 3HB HIS 16 8.990 9.293 -21.613
142 HD1 HIS 16 HD1 HIS 16 9.201 10.537 -23.921
143 HD2 HIS 16 HD2 HIS 16 5.481 10.836 -22.093
144 HE1 HIS 16 HE1 HIS 16 8.016 12.409 -25.110
145 H ARG 17 H ARG 17 10.085 6.866 -22.318
146 HA ARG 17 HA ARG 17 11.053 7.724 -24.843
147 HB2 ARG 17 2HB ARG 17 12.113 5.696 -22.871
148 HB3 ARG 17 3HB ARG 17 12.977 6.191 -24.321
149 HG2 ARG 17 2HG ARG 17 13.038 8.491 -23.506
150 HG3 ARG 17 3HG ARG 17 12.164 7.999 -22.054
151 HD2 ARG 17 2HD ARG 17 13.992 7.079 -21.113
152 HD3 ARG 17 3HD ARG 17 14.581 6.436 -22.645
153 HE ARG 17 HE ARG 17 15.371 8.868 -21.401
154 HH11 ARG 17 1HH1 ARG 17 14.832 7.375 -24.499
155 HH12 ARG 17 2HH1 ARG 17 15.951 8.400 -25.335
156 HH21 ARG 17 2HH2 ARG 17 17.098 10.020 -24.190
157 HH22 ARG 17 1HH2 ARG 17 16.848 10.224 -22.490
158 H LEU 18 H LEU 18 9.786 4.656 -23.638
159 HA LEU 18 HA LEU 18 10.266 3.283 -26.125
160 HB2 LEU 18 2HB LEU 18 9.447 1.378 -25.086
161 HB3 LEU 18 3HB LEU 18 10.202 2.276 -23.770
162 HG LEU 18 HG LEU 18 7.705 3.161 -23.476
163 HD11 LEU 18 1HD1 LEU 18 7.500 0.767 -25.172
164 HD12 LEU 18 2HD1 LEU 18 6.371 2.102 -24.944
165 HD13 LEU 18 3HD1 LEU 18 6.441 0.795 -23.762
166 HD21 LEU 18 3HD2 LEU 18 9.233 1.913 -21.876
167 HD22 LEU 18 1HD2 LEU 18 8.464 0.437 -22.460
168 HD23 LEU 18 2HD2 LEU 18 7.497 1.677 -21.661
169 H ALA 19 H ALA 19 7.686 5.092 -24.680
170 HA ALA 19 HA ALA 19 5.504 4.114 -26.141
171 HB1 ALA 19 1HB ALA 19 4.912 6.765 -25.783
172 HB2 ALA 19 2HB ALA 19 4.622 5.481 -24.609
173 HB3 ALA 19 3HB ALA 19 6.087 6.458 -24.504
174 H ARG 20 H ARG 20 7.943 6.530 -26.932
175 HA ARG 20 HA ARG 20 6.801 7.691 -29.171
176 HB2 ARG 20 2HB ARG 20 9.686 7.075 -28.536
177 HB3 ARG 20 3HB ARG 20 9.197 8.011 -29.943
178 HG2 ARG 20 2HG ARG 20 8.429 8.768 -27.139
179 HG3 ARG 20 3HG ARG 20 9.911 9.327 -27.918
180 HD2 ARG 20 2HD ARG 20 7.859 9.787 -29.766
181 HD3 ARG 20 3HD ARG 20 7.215 10.292 -28.204
182 HE ARG 20 HE ARG 20 9.847 11.295 -28.658
183 HH11 ARG 20 1HH1 ARG 20 6.483 11.803 -29.398
184 HH12 ARG 20 2HH1 ARG 20 6.667 13.502 -29.680
185 HH21 ARG 20 2HH2 ARG 20 8.726 14.485 -29.470
186 HH22 ARG 20 1HH2 ARG 20 10.102 13.532 -29.027
187 H ARG 21 H ARG 21 5.792 6.500 -30.684
188 HA ARG 21 HA ARG 21 6.874 3.997 -31.621
189 HB2 ARG 21 2HB ARG 21 4.496 5.617 -32.548
190 HB3 ARG 21 3HB ARG 21 4.909 4.016 -33.146
191 HG2 ARG 21 2HG ARG 21 3.770 3.097 -31.490
192 HG3 ARG 21 3HG ARG 21 4.820 3.892 -30.315
193 HD2 ARG 21 2HD ARG 21 3.278 5.966 -30.906
194 HD3 ARG 21 3HD ARG 21 2.140 4.685 -31.322
195 HE ARG 21 HE ARG 21 2.916 5.497 -28.706
196 HH11 ARG 21 1HH1 ARG 21 1.961 2.737 -30.601
197 HH12 ARG 21 2HH1 ARG 21 1.320 1.866 -29.248
198 HH21 ARG 21 2HH2 ARG 21 1.384 2.791 -27.153
199 HH22 ARG 21 1HH2 ARG 21 2.075 4.360 -26.917
200 H ASN 22 H ASN 22 7.568 7.163 -32.277
201 HA ASN 22 HA ASN 22 8.093 6.761 -35.122
202 HB2 ASN 22 2HB ASN 22 7.302 8.978 -33.648
203 HB3 ASN 22 3HB ASN 22 9.000 9.292 -33.992
204 HD21 ASN 22 2HD2 ASN 22 8.490 9.298 -37.555
205 HD22 ASN 22 1HD2 ASN 22 9.565 8.652 -36.366
206 H ALA 23 H ALA 23 9.837 7.593 -32.141
207 HA ALA 23 HA ALA 23 12.408 7.447 -33.427
208 HB1 ALA 23 1HB ALA 23 11.631 7.689 -30.525
209 HB2 ALA 23 2HB ALA 23 13.289 7.742 -31.123
210 HB3 ALA 23 3HB ALA 23 12.138 8.987 -31.606
211 H GLY 24 H GLY 24 10.351 5.304 -31.586
212 HA2 GLY 24 2HA GLY 24 12.286 3.374 -30.877
213 HA3 GLY 24 3HA GLY 24 10.557 3.091 -31.011
214 H ALA 25 H ALA 25 10.456 3.888 -33.822
215 HA ALA 25 HA ALA 25 11.606 1.434 -34.960
216 HB1 ALA 25 1HB ALA 25 9.800 1.247 -36.326
217 HB2 ALA 25 2HB ALA 25 9.045 2.149 -35.011
218 HB3 ALA 25 3HB ALA 25 9.583 2.992 -36.464
219 H THR 26 H THR 26 13.202 3.790 -34.569
220 HA THR 26 HA THR 26 13.477 5.437 -36.781
221 HB THR 26 HB THR 26 14.709 5.827 -34.706
222 HG1 THR 26 HG1 THR 26 15.572 6.768 -36.581
223 HG21 THR 26 3HG2 THR 26 15.255 3.461 -34.222
224 HG22 THR 26 1HG2 THR 26 16.660 4.519 -34.111
225 HG23 THR 26 2HG2 THR 26 16.440 3.492 -35.528
226 H LEU 27 H LEU 27 14.385 2.109 -36.368
227 HA LEU 27 HA LEU 27 16.328 1.792 -38.316
228 HB2 LEU 27 2HB LEU 27 14.116 -0.178 -37.781
229 HB3 LEU 27 3HB LEU 27 15.741 -0.519 -38.372
230 HG LEU 27 HG LEU 27 15.795 0.783 -35.783
231 HD11 LEU 27 1HD1 LEU 27 15.015 -1.580 -34.798
232 HD12 LEU 27 2HD1 LEU 27 13.933 -1.473 -36.187
233 HD13 LEU 27 3HD1 LEU 27 13.931 -0.199 -34.968
234 HD21 LEU 27 3HD2 LEU 27 17.433 -0.795 -35.338
235 HD22 LEU 27 1HD2 LEU 27 17.551 -0.600 -37.087
236 HD23 LEU 27 2HD2 LEU 27 16.713 -1.996 -36.411
237 H ARG 28 H ARG 28 12.880 2.217 -38.651
238 HA ARG 28 HA ARG 28 12.641 1.356 -41.335
239 HB2 ARG 28 2HB ARG 28 10.977 3.219 -39.644
240 HB3 ARG 28 3HB ARG 28 10.545 2.791 -41.294
241 HG2 ARG 28 2HG ARG 28 10.489 0.416 -40.630
242 HG3 ARG 28 3HG ARG 28 10.824 0.902 -38.967
243 HD2 ARG 28 2HD ARG 28 8.717 2.494 -39.530
244 HD3 ARG 28 3HD ARG 28 8.341 1.101 -40.542
245 HE ARG 28 HE ARG 28 8.166 1.247 -37.704
246 HH11 ARG 28 1HH1 ARG 28 8.867 -0.905 -40.349
247 HH12 ARG 28 2HH1 ARG 28 8.404 -2.332 -39.482
248 HH21 ARG 28 2HH2 ARG 28 7.655 -2.170 -37.323
249 HH22 ARG 28 1HH2 ARG 28 7.553 -0.623 -36.552
Start of MODEL 9
1 H1 LYS 1 H LYS 1 5.907 1.054 1.243
2 HA LYS 1 HA LYS 1 5.235 0.128 -0.884
3 HB2 LYS 1 2HB LYS 1 2.718 1.597 -0.157
4 HB3 LYS 1 3HB LYS 1 3.059 1.182 -1.832
5 HG2 LYS 1 2HG LYS 1 2.052 -0.751 -1.407
6 HG3 LYS 1 3HG LYS 1 3.504 -1.184 -0.501
7 HD2 LYS 1 2HD LYS 1 1.624 -1.583 0.916
8 HD3 LYS 1 3HD LYS 1 2.447 -0.142 1.518
9 HE2 LYS 1 2HE LYS 1 0.722 1.223 0.992
10 HE3 LYS 1 3HE LYS 1 0.315 0.321 -0.467
11 HZ1 LYS 1 3HZ LYS 1 -0.731 -1.365 0.903
12 HZ2 LYS 1 1HZ LYS 1 -1.419 0.149 1.212
13 HZ3 LYS 1 2HZ LYS 1 -0.321 -0.521 2.310
14 H TYR 2 H TYR 2 6.847 2.320 0.027
15 HA TYR 2 HA TYR 2 6.326 4.578 -1.682
16 HB2 TYR 2 2HB TYR 2 8.624 3.834 0.124
17 HB3 TYR 2 3HB TYR 2 8.644 5.280 -0.879
18 HD1 TYR 2 HD1 TYR 2 8.468 4.604 2.314
19 HD2 TYR 2 HD2 TYR 2 5.876 6.231 -0.641
20 HE1 TYR 2 HE1 TYR 2 7.252 5.830 4.065
21 HE2 TYR 2 HE2 TYR 2 4.652 7.462 1.102
22 HH TYR 2 HH TYR 2 4.810 8.201 3.289
23 H GLU 3 H GLU 3 7.920 1.570 -1.984
24 HA GLU 3 HA GLU 3 9.724 2.393 -4.080
25 HB2 GLU 3 2HB GLU 3 10.242 -0.011 -4.265
26 HB3 GLU 3 3HB GLU 3 10.377 0.571 -2.612
27 HG2 GLU 3 2HG GLU 3 7.817 -0.276 -2.621
28 HG3 GLU 3 3HG GLU 3 8.533 -1.391 -3.784
29 H ILE 4 H ILE 4 6.594 0.810 -3.824
30 HA ILE 4 HA ILE 4 6.438 0.246 -6.647
31 HB ILE 4 HB ILE 4 5.319 -1.178 -4.936
32 HG12 ILE 4 2HG1 ILE 4 3.488 0.092 -6.983
33 HG13 ILE 4 3HG1 ILE 4 4.615 -1.225 -7.288
34 HG21 ILE 4 1HG2 ILE 4 3.468 1.187 -4.672
35 HG22 ILE 4 2HG2 ILE 4 3.195 -0.408 -3.975
36 HG23 ILE 4 3HG2 ILE 4 4.558 0.570 -3.432
37 HD11 ILE 4 3HD1 ILE 4 3.052 -2.102 -5.165
38 HD12 ILE 4 1HD1 ILE 4 1.929 -1.303 -6.265
39 HD13 ILE 4 2HD1 ILE 4 2.952 -2.615 -6.849
40 H THR 5 H THR 5 5.471 2.795 -4.492
41 HA THR 5 HA THR 5 3.600 4.008 -6.301
42 HB THR 5 HB THR 5 3.645 4.266 -3.747
43 HG1 THR 5 HG1 THR 5 2.705 6.312 -3.959
44 HG21 THR 5 3HG2 THR 5 5.429 6.610 -4.248
45 HG22 THR 5 1HG2 THR 5 6.145 5.028 -3.940
46 HG23 THR 5 2HG2 THR 5 5.083 5.764 -2.739
47 H THR 6 H THR 6 7.017 4.283 -5.645
48 HA THR 6 HA THR 6 7.340 6.724 -7.147
49 HB THR 6 HB THR 6 8.843 6.221 -5.268
50 HG1 THR 6 HG1 THR 6 10.646 6.950 -6.315
51 HG21 THR 6 3HG2 THR 6 10.541 4.489 -5.454
52 HG22 THR 6 1HG2 THR 6 9.899 3.999 -7.021
53 HG23 THR 6 2HG2 THR 6 8.932 3.774 -5.563
54 H ILE 7 H ILE 7 7.752 3.278 -7.697
55 HA ILE 7 HA ILE 7 9.066 3.566 -10.220
56 HB ILE 7 HB ILE 7 9.199 1.529 -8.736
57 HG12 ILE 7 2HG1 ILE 7 8.366 1.109 -11.614
58 HG13 ILE 7 3HG1 ILE 7 9.986 1.516 -11.061
59 HG21 ILE 7 1HG2 ILE 7 6.801 1.362 -8.243
60 HG22 ILE 7 2HG2 ILE 7 6.493 0.945 -9.928
61 HG23 ILE 7 3HG2 ILE 7 7.442 -0.139 -8.911
62 HD11 ILE 7 3HD1 ILE 7 9.420 -0.736 -9.618
63 HD12 ILE 7 1HD1 ILE 7 8.630 -1.056 -11.162
64 HD13 ILE 7 2HD1 ILE 7 10.352 -0.677 -11.114
65 H HIS 8 H HIS 8 5.748 3.321 -9.152
66 HA HIS 8 HA HIS 8 4.694 2.879 -11.797
67 HB2 HIS 8 2HB HIS 8 3.667 2.183 -9.505
68 HB3 HIS 8 3HB HIS 8 3.049 3.832 -9.474
69 HD1 HIS 8 HD1 HIS 8 0.604 3.155 -9.736
70 HD2 HIS 8 HD2 HIS 8 3.042 1.768 -12.801
71 HE1 HIS 8 HE1 HIS 8 -0.963 2.300 -11.507
72 H ASN 9 H ASN 9 5.468 5.594 -9.796
73 HA ASN 9 HA ASN 9 3.837 7.484 -11.212
74 HB2 ASN 9 2HB ASN 9 4.405 7.934 -8.903
75 HB3 ASN 9 3HB ASN 9 6.125 7.858 -9.270
76 HD21 ASN 9 2HD2 ASN 9 6.285 11.249 -9.797
77 HD22 ASN 9 1HD2 ASN 9 6.996 9.787 -9.212
78 H LEU 10 H LEU 10 7.067 6.227 -11.507
79 HA LEU 10 HA LEU 10 7.976 8.296 -13.292
80 HB2 LEU 10 2HB LEU 10 9.089 5.733 -12.250
81 HB3 LEU 10 3HB LEU 10 9.818 6.468 -13.677
82 HG LEU 10 HG LEU 10 9.507 7.914 -11.053
83 HD11 LEU 10 1HD1 LEU 10 10.897 6.011 -10.621
84 HD12 LEU 10 2HD1 LEU 10 11.924 7.439 -10.743
85 HD13 LEU 10 3HD1 LEU 10 11.832 6.302 -12.088
86 HD21 LEU 10 3HD2 LEU 10 10.136 9.656 -12.280
87 HD22 LEU 10 1HD2 LEU 10 10.393 8.638 -13.697
88 HD23 LEU 10 2HD2 LEU 10 11.688 8.852 -12.519
89 H ALA 11 H ALA 11 6.488 5.155 -13.563
90 HA ALA 11 HA ALA 11 7.087 4.449 -16.167
91 HB1 ALA 11 1HB ALA 11 5.449 3.458 -14.220
92 HB2 ALA 11 2HB ALA 11 4.294 3.968 -15.451
93 HB3 ALA 11 3HB ALA 11 5.574 2.828 -15.863
94 H ARG 12 H ARG 12 4.958 6.942 -14.993
95 HA ARG 12 HA ARG 12 3.302 7.379 -17.156
96 HB2 ARG 12 2HB ARG 12 4.593 9.496 -15.426
97 HB3 ARG 12 3HB ARG 12 3.142 9.699 -16.399
98 HG2 ARG 12 2HG ARG 12 1.881 8.288 -15.004
99 HG3 ARG 12 3HG ARG 12 3.324 7.660 -14.205
100 HD2 ARG 12 2HD ARG 12 3.742 9.959 -13.324
101 HD3 ARG 12 3HD ARG 12 2.182 10.440 -13.990
102 HE ARG 12 HE ARG 12 2.635 9.007 -11.576
103 HH11 ARG 12 1HH1 ARG 12 0.419 9.338 -14.240
104 HH12 ARG 12 2HH1 ARG 12 -0.955 8.797 -13.334
105 HH21 ARG 12 2HH2 ARG 12 -0.718 8.202 -11.135
106 HH22 ARG 12 1HH2 ARG 12 0.834 8.292 -10.373
107 H LYS 13 H LYS 13 6.498 8.846 -16.581
108 HA LYS 13 HA LYS 13 6.580 10.090 -19.154
109 HB2 LYS 13 2HB LYS 13 7.786 10.991 -17.194
110 HB3 LYS 13 3HB LYS 13 8.824 9.571 -17.193
111 HG2 LYS 13 2HG LYS 13 9.176 10.405 -19.726
112 HG3 LYS 13 3HG LYS 13 8.863 11.948 -18.928
113 HD2 LYS 13 2HD LYS 13 10.759 10.088 -17.606
114 HD3 LYS 13 3HD LYS 13 11.302 10.881 -19.087
115 HE2 LYS 13 2HE LYS 13 10.130 12.346 -16.729
116 HE3 LYS 13 3HE LYS 13 11.859 12.097 -16.966
117 HZ1 LYS 13 3HZ LYS 13 11.582 13.230 -19.158
118 HZ2 LYS 13 1HZ LYS 13 11.327 14.225 -17.814
119 HZ3 LYS 13 2HZ LYS 13 10.007 13.638 -18.694
120 H LEU 14 H LEU 14 7.639 7.042 -17.833
121 HA LEU 14 HA LEU 14 9.482 6.297 -19.811
122 HB2 LEU 14 2HB LEU 14 7.655 4.603 -18.116
123 HB3 LEU 14 3HB LEU 14 8.972 3.969 -19.101
124 HG LEU 14 HG LEU 14 9.276 5.841 -16.752
125 HD11 LEU 14 1HD1 LEU 14 9.374 4.060 -15.435
126 HD12 LEU 14 2HD1 LEU 14 10.545 3.277 -16.495
127 HD13 LEU 14 3HD1 LEU 14 8.818 3.081 -16.792
128 HD21 LEU 14 3HD2 LEU 14 11.659 5.449 -17.007
129 HD22 LEU 14 1HD2 LEU 14 10.992 6.149 -18.483
130 HD23 LEU 14 2HD2 LEU 14 11.360 4.426 -18.413
131 H THR 15 H THR 15 6.021 6.394 -19.809
132 HA THR 15 HA THR 15 5.662 4.628 -22.042
133 HB THR 15 HB THR 15 3.955 5.477 -20.155
134 HG1 THR 15 HG1 THR 15 3.282 4.769 -22.835
135 HG21 THR 15 3HG2 THR 15 4.025 7.799 -21.161
136 HG22 THR 15 1HG2 THR 15 2.419 7.103 -20.950
137 HG23 THR 15 2HG2 THR 15 3.166 7.129 -22.548
138 H HIS 16 H HIS 16 6.180 8.048 -21.598
139 HA HIS 16 HA HIS 16 5.428 8.753 -24.288
140 HB2 HIS 16 2HB HIS 16 5.459 10.215 -22.085
141 HB3 HIS 16 3HB HIS 16 7.115 10.539 -22.588
142 HD1 HIS 16 HD1 HIS 16 3.593 11.357 -23.369
143 HD2 HIS 16 HD2 HIS 16 7.348 11.980 -25.035
144 HE1 HIS 16 HE1 HIS 16 3.269 13.144 -25.109
145 H ARG 17 H ARG 17 8.369 7.961 -22.566
146 HA ARG 17 HA ARG 17 10.181 8.867 -24.559
147 HB2 ARG 17 2HB ARG 17 10.468 6.895 -22.293
148 HB3 ARG 17 3HB ARG 17 11.800 7.335 -23.354
149 HG2 ARG 17 2HG ARG 17 10.249 9.224 -21.595
150 HG3 ARG 17 3HG ARG 17 11.866 8.593 -21.274
151 HD2 ARG 17 2HD ARG 17 11.933 9.681 -23.867
152 HD3 ARG 17 3HD ARG 17 11.076 10.848 -22.861
153 HE ARG 17 HE ARG 17 13.372 10.025 -21.494
154 HH11 ARG 17 1HH1 ARG 17 12.481 11.820 -24.340
155 HH12 ARG 17 2HH1 ARG 17 13.892 12.826 -24.307
156 HH21 ARG 17 2HH2 ARG 17 15.457 12.552 -22.656
157 HH22 ARG 17 1HH2 ARG 17 15.234 11.342 -21.439
158 H LEU 18 H LEU 18 8.626 5.769 -23.889
159 HA LEU 18 HA LEU 18 10.026 4.406 -26.002
160 HB2 LEU 18 2HB LEU 18 8.899 2.487 -25.339
161 HB3 LEU 18 3HB LEU 18 9.102 3.395 -23.842
162 HG LEU 18 HG LEU 18 6.663 4.248 -24.501
163 HD11 LEU 18 1HD1 LEU 18 5.477 2.072 -25.273
164 HD12 LEU 18 2HD1 LEU 18 7.050 1.670 -25.960
165 HD13 LEU 18 3HD1 LEU 18 6.214 3.135 -26.472
166 HD21 LEU 18 3HD2 LEU 18 6.975 1.530 -23.268
167 HD22 LEU 18 1HD2 LEU 18 5.832 2.809 -22.858
168 HD23 LEU 18 2HD2 LEU 18 7.539 2.988 -22.451
169 H ALA 19 H ALA 19 6.946 6.013 -25.588
170 HA ALA 19 HA ALA 19 5.631 5.028 -27.868
171 HB1 ALA 19 1HB ALA 19 5.331 7.620 -26.367
172 HB2 ALA 19 2HB ALA 19 4.263 7.122 -27.680
173 HB3 ALA 19 3HB ALA 19 4.357 6.158 -26.207
174 H ARG 20 H ARG 20 7.943 7.635 -27.429
175 HA ARG 20 HA ARG 20 7.643 9.021 -29.803
176 HB2 ARG 20 2HB ARG 20 9.429 9.066 -27.699
177 HB3 ARG 20 3HB ARG 20 10.443 8.622 -29.065
178 HG2 ARG 20 2HG ARG 20 10.608 10.849 -29.312
179 HG3 ARG 20 3HG ARG 20 9.069 10.658 -30.155
180 HD2 ARG 20 2HD ARG 20 8.403 12.261 -28.711
181 HD3 ARG 20 3HD ARG 20 8.182 10.886 -27.631
182 HE ARG 20 HE ARG 20 9.952 11.625 -26.371
183 HH11 ARG 20 1HH1 ARG 20 9.899 13.323 -29.409
184 HH12 ARG 20 2HH1 ARG 20 11.116 14.465 -28.941
185 HH21 ARG 20 2HH2 ARG 20 12.057 14.348 -26.856
186 HH22 ARG 20 1HH2 ARG 20 11.555 13.121 -25.743
187 H ARG 21 H ARG 21 7.377 8.013 -31.708
188 HA ARG 21 HA ARG 21 9.403 6.025 -32.500
189 HB2 ARG 21 2HB ARG 21 7.661 5.179 -34.096
190 HB3 ARG 21 3HB ARG 21 7.271 4.949 -32.397
191 HG2 ARG 21 2HG ARG 21 5.364 6.033 -32.659
192 HG3 ARG 21 3HG ARG 21 6.224 7.459 -33.244
193 HD2 ARG 21 2HD ARG 21 4.947 7.017 -35.079
194 HD3 ARG 21 3HD ARG 21 6.352 6.024 -35.461
195 HE ARG 21 HE ARG 21 4.730 4.337 -34.089
196 HH11 ARG 21 1HH1 ARG 21 4.294 6.383 -36.873
197 HH12 ARG 21 2HH1 ARG 21 3.104 5.357 -37.603
198 HH21 ARG 21 2HH2 ARG 21 2.460 3.422 -36.559
199 HH22 ARG 21 1HH2 ARG 21 3.163 2.979 -35.040
200 H ASN 22 H ASN 22 10.464 8.267 -32.949
201 HA ASN 22 HA ASN 22 9.678 9.884 -35.069
202 HB2 ASN 22 2HB ASN 22 12.448 9.201 -34.068
203 HB3 ASN 22 3HB ASN 22 12.120 10.466 -35.249
204 HD21 ASN 22 2HD2 ASN 22 12.183 12.483 -32.361
205 HD22 ASN 22 1HD2 ASN 22 13.131 11.854 -33.662
206 H ALA 23 H ALA 23 12.402 7.607 -35.318
207 HA ALA 23 HA ALA 23 11.502 6.978 -38.055
208 HB1 ALA 23 1HB ALA 23 13.441 7.850 -38.721
209 HB2 ALA 23 2HB ALA 23 14.067 7.917 -37.073
210 HB3 ALA 23 3HB ALA 23 14.208 6.430 -38.010
211 H GLY 24 H GLY 24 14.025 5.594 -35.965
212 HA2 GLY 24 2HA GLY 24 12.725 2.968 -36.330
213 HA3 GLY 24 3HA GLY 24 14.458 3.200 -36.153
214 H ALA 25 H ALA 25 12.303 5.037 -34.163
215 HA ALA 25 HA ALA 25 13.305 3.617 -31.817
216 HB1 ALA 25 1HB ALA 25 13.365 6.147 -32.056
217 HB2 ALA 25 2HB ALA 25 11.621 6.105 -31.795
218 HB3 ALA 25 3HB ALA 25 12.713 5.505 -30.548
219 H THR 26 H THR 26 11.525 2.088 -33.232
220 HA THR 26 HA THR 26 9.042 2.247 -31.652
221 HB THR 26 HB THR 26 8.710 2.429 -34.100
222 HG1 THR 26 HG1 THR 26 7.014 0.991 -34.108
223 HG21 THR 26 3HG2 THR 26 9.143 0.565 -35.559
224 HG22 THR 26 1HG2 THR 26 9.714 -0.416 -34.209
225 HG23 THR 26 2HG2 THR 26 10.644 0.988 -34.734
226 H LEU 27 H LEU 27 11.723 0.233 -32.609
227 HA LEU 27 HA LEU 27 10.607 -2.104 -31.276
228 HB2 LEU 27 2HB LEU 27 13.287 -1.767 -32.612
229 HB3 LEU 27 3HB LEU 27 12.550 -3.283 -32.098
230 HG LEU 27 HG LEU 27 11.411 -1.503 -34.248
231 HD11 LEU 27 1HD1 LEU 27 12.271 -3.353 -35.758
232 HD12 LEU 27 2HD1 LEU 27 13.299 -3.833 -34.409
233 HD13 LEU 27 3HD1 LEU 27 13.469 -2.228 -35.120
234 HD21 LEU 27 3HD2 LEU 27 10.145 -3.410 -32.813
235 HD22 LEU 27 1HD2 LEU 27 10.812 -4.381 -34.126
236 HD23 LEU 27 2HD2 LEU 27 9.759 -3.013 -34.488
237 H ARG 28 H ARG 28 13.019 0.374 -30.793
238 HA ARG 28 HA ARG 28 13.945 -0.932 -28.338
239 HB2 ARG 28 2HB ARG 28 15.728 -0.186 -29.765
240 HB3 ARG 28 3HB ARG 28 15.015 1.416 -29.904
241 HG2 ARG 28 2HG ARG 28 16.063 2.119 -28.082
242 HG3 ARG 28 3HG ARG 28 15.488 0.738 -27.144
243 HD2 ARG 28 2HD ARG 28 17.336 -0.568 -27.713
244 HD3 ARG 28 3HD ARG 28 17.748 0.452 -29.091
245 HE ARG 28 HE ARG 28 17.931 1.778 -26.540
246 HH11 ARG 28 1HH1 ARG 28 19.594 -0.154 -28.911
247 HH12 ARG 28 2HH1 ARG 28 21.173 0.351 -28.407
248 HH21 ARG 28 2HH2 ARG 28 21.405 1.832 -26.674
249 HH22 ARG 28 1HH2 ARG 28 20.004 2.450 -25.867
Start of MODEL 10
1 H1 LYS 1 H LYS 1 1.239 -1.586 -1.704
2 HA LYS 1 HA LYS 1 3.789 -2.016 -2.901
3 HB2 LYS 1 2HB LYS 1 2.241 -3.876 -3.828
4 HB3 LYS 1 3HB LYS 1 1.487 -2.581 -4.749
5 HG2 LYS 1 2HG LYS 1 3.144 -2.536 -6.230
6 HG3 LYS 1 3HG LYS 1 4.380 -2.550 -4.970
7 HD2 LYS 1 2HD LYS 1 2.929 -5.086 -5.381
8 HD3 LYS 1 3HD LYS 1 3.981 -4.577 -6.704
9 HE2 LYS 1 2HE LYS 1 4.995 -4.520 -3.894
10 HE3 LYS 1 3HE LYS 1 4.921 -6.052 -4.763
11 HZ1 LYS 1 3HZ LYS 1 6.993 -4.369 -4.868
12 HZ2 LYS 1 1HZ LYS 1 6.122 -3.862 -6.228
13 HZ3 LYS 1 2HZ LYS 1 6.615 -5.474 -6.092
14 H TYR 2 H TYR 2 2.123 0.116 -1.768
15 HA TYR 2 HA TYR 2 1.232 1.823 -3.863
16 HB2 TYR 2 2HB TYR 2 1.960 2.468 -0.998
17 HB3 TYR 2 3HB TYR 2 1.122 3.555 -2.100
18 HD1 TYR 2 HD1 TYR 2 -0.932 2.096 -3.344
19 HD2 TYR 2 HD2 TYR 2 0.554 1.627 0.615
20 HE1 TYR 2 HE1 TYR 2 -3.089 1.136 -2.655
21 HE2 TYR 2 HE2 TYR 2 -1.599 0.665 1.315
22 HH TYR 2 HH TYR 2 -4.323 1.009 -0.130
23 H GLU 3 H GLU 3 4.309 1.093 -2.565
24 HA GLU 3 HA GLU 3 5.684 3.497 -2.970
25 HB2 GLU 3 2HB GLU 3 7.710 2.158 -2.989
26 HB3 GLU 3 3HB GLU 3 6.614 1.571 -1.746
27 HG2 GLU 3 2HG GLU 3 5.969 -0.291 -3.105
28 HG3 GLU 3 3HG GLU 3 6.880 0.338 -4.476
29 H ILE 4 H ILE 4 4.406 1.242 -5.214
30 HA ILE 4 HA ILE 4 6.116 1.594 -7.400
31 HB ILE 4 HB ILE 4 4.288 -0.112 -7.234
32 HG12 ILE 4 2HG1 ILE 4 4.315 1.615 -9.719
33 HG13 ILE 4 3HG1 ILE 4 5.451 0.322 -9.348
34 HG21 ILE 4 1HG2 ILE 4 2.049 0.410 -7.604
35 HG22 ILE 4 2HG2 ILE 4 2.598 1.693 -6.527
36 HG23 ILE 4 3HG2 ILE 4 2.429 2.004 -8.255
37 HD11 ILE 4 3HD1 ILE 4 3.872 -0.506 -10.916
38 HD12 ILE 4 1HD1 ILE 4 3.526 -1.261 -9.360
39 HD13 ILE 4 2HD1 ILE 4 2.517 0.064 -9.941
40 H THR 5 H THR 5 3.757 3.693 -6.009
41 HA THR 5 HA THR 5 3.340 5.333 -8.315
42 HB THR 5 HB THR 5 1.770 5.151 -6.327
43 HG1 THR 5 HG1 THR 5 1.287 7.461 -6.471
44 HG21 THR 5 3HG2 THR 5 2.209 6.193 -4.329
45 HG22 THR 5 1HG2 THR 5 3.350 7.330 -5.046
46 HG23 THR 5 2HG2 THR 5 3.833 5.658 -4.760
47 H THR 6 H THR 6 5.597 5.312 -5.642
48 HA THR 6 HA THR 6 6.616 7.949 -6.151
49 HB THR 6 HB THR 6 8.197 7.547 -4.434
50 HG1 THR 6 HG1 THR 6 8.982 5.600 -3.980
51 HG21 THR 6 3HG2 THR 6 6.851 6.903 -2.597
52 HG22 THR 6 1HG2 THR 6 5.853 5.851 -3.599
53 HG23 THR 6 2HG2 THR 6 5.743 7.602 -3.777
54 H ILE 7 H ILE 7 7.616 4.646 -6.914
55 HA ILE 7 HA ILE 7 10.098 5.384 -8.099
56 HB ILE 7 HB ILE 7 9.516 3.090 -7.221
57 HG12 ILE 7 2HG1 ILE 7 10.569 3.277 -10.053
58 HG13 ILE 7 3HG1 ILE 7 11.514 3.508 -8.585
59 HG21 ILE 7 1HG2 ILE 7 8.086 2.851 -9.865
60 HG22 ILE 7 2HG2 ILE 7 8.354 1.554 -8.702
61 HG23 ILE 7 3HG2 ILE 7 7.311 2.912 -8.282
62 HD11 ILE 7 3HD1 ILE 7 12.016 1.344 -9.245
63 HD12 ILE 7 1HD1 ILE 7 10.795 1.121 -7.993
64 HD13 ILE 7 2HD1 ILE 7 10.348 0.989 -9.694
65 H HIS 8 H HIS 8 6.821 5.052 -9.269
66 HA HIS 8 HA HIS 8 7.563 5.177 -12.051
67 HB2 HIS 8 2HB HIS 8 5.467 4.062 -11.026
68 HB3 HIS 8 3HB HIS 8 4.798 5.690 -10.983
69 HD1 HIS 8 HD1 HIS 8 5.834 2.990 -13.365
70 HD2 HIS 8 HD2 HIS 8 4.035 6.734 -13.451
71 HE1 HIS 8 HE1 HIS 8 4.921 3.244 -15.694
72 H ASN 9 H ASN 9 6.775 7.417 -9.532
73 HA ASN 9 HA ASN 9 6.100 9.607 -11.249
74 HB2 ASN 9 2HB ASN 9 6.386 9.147 -8.358
75 HB3 ASN 9 3HB ASN 9 6.836 10.768 -8.879
76 HD21 ASN 9 2HD2 ASN 9 3.504 11.649 -8.577
77 HD22 ASN 9 1HD2 ASN 9 5.142 11.877 -8.074
78 H LEU 10 H LEU 10 9.028 8.250 -10.012
79 HA LEU 10 HA LEU 10 10.631 10.601 -10.458
80 HB2 LEU 10 2HB LEU 10 11.605 9.356 -8.823
81 HB3 LEU 10 3HB LEU 10 11.086 7.826 -9.529
82 HG LEU 10 HG LEU 10 12.879 8.003 -11.199
83 HD11 LEU 10 1HD1 LEU 10 12.979 10.699 -10.259
84 HD12 LEU 10 2HD1 LEU 10 13.810 9.965 -11.631
85 HD13 LEU 10 3HD1 LEU 10 14.555 9.939 -10.032
86 HD21 LEU 10 3HD2 LEU 10 13.636 6.695 -9.495
87 HD22 LEU 10 1HD2 LEU 10 13.414 7.954 -8.280
88 HD23 LEU 10 2HD2 LEU 10 14.799 8.017 -9.371
89 H ALA 11 H ALA 11 9.914 7.608 -12.166
90 HA ALA 11 HA ALA 11 11.607 8.493 -14.402
91 HB1 ALA 11 1HB ALA 11 11.874 6.176 -13.350
92 HB2 ALA 11 2HB ALA 11 10.359 5.774 -14.159
93 HB3 ALA 11 3HB ALA 11 11.761 6.268 -15.108
94 H ARG 12 H ARG 12 8.926 9.556 -13.746
95 HA ARG 12 HA ARG 12 6.952 8.522 -15.445
96 HB2 ARG 12 2HB ARG 12 5.852 10.702 -15.204
97 HB3 ARG 12 3HB ARG 12 6.447 10.109 -13.659
98 HG2 ARG 12 2HG ARG 12 7.269 12.175 -13.437
99 HG3 ARG 12 3HG ARG 12 8.556 11.594 -14.496
100 HD2 ARG 12 2HD ARG 12 8.002 13.163 -15.966
101 HD3 ARG 12 3HD ARG 12 6.438 12.376 -16.171
102 HE ARG 12 HE ARG 12 6.157 13.906 -13.923
103 HH11 ARG 12 1HH1 ARG 12 7.067 14.505 -17.230
104 HH12 ARG 12 2HH1 ARG 12 6.442 16.121 -17.246
105 HH21 ARG 12 2HH2 ARG 12 5.455 16.988 -15.369
106 HH22 ARG 12 1HH2 ARG 12 5.330 16.032 -13.932
107 H LYS 13 H LYS 13 9.688 10.572 -16.068
108 HA LYS 13 HA LYS 13 8.801 11.553 -18.597
109 HB2 LYS 13 2HB LYS 13 11.061 12.377 -18.868
110 HB3 LYS 13 3HB LYS 13 10.518 12.694 -17.225
111 HG2 LYS 13 2HG LYS 13 11.717 10.310 -16.873
112 HG3 LYS 13 3HG LYS 13 12.678 10.955 -18.206
113 HD2 LYS 13 2HD LYS 13 12.825 13.097 -16.789
114 HD3 LYS 13 3HD LYS 13 12.282 12.081 -15.452
115 HE2 LYS 13 2HE LYS 13 14.527 11.822 -15.198
116 HE3 LYS 13 3HE LYS 13 14.235 10.522 -16.353
117 HZ1 LYS 13 3HZ LYS 13 14.746 13.096 -17.556
118 HZ2 LYS 13 1HZ LYS 13 15.378 11.575 -17.942
119 HZ3 LYS 13 2HZ LYS 13 16.050 12.474 -16.677
120 H LEU 14 H LEU 14 10.555 8.732 -17.510
121 HA LEU 14 HA LEU 14 11.556 7.927 -20.035
122 HB2 LEU 14 2HB LEU 14 10.984 6.388 -17.512
123 HB3 LEU 14 3HB LEU 14 11.748 5.677 -18.932
124 HG LEU 14 HG LEU 14 12.863 7.912 -17.238
125 HD11 LEU 14 1HD1 LEU 14 12.843 5.205 -16.733
126 HD12 LEU 14 2HD1 LEU 14 13.978 6.379 -16.068
127 HD13 LEU 14 3HD1 LEU 14 14.404 5.463 -17.513
128 HD21 LEU 14 3HD2 LEU 14 13.601 6.824 -19.885
129 HD22 LEU 14 1HD2 LEU 14 14.921 7.100 -18.748
130 HD23 LEU 14 2HD2 LEU 14 13.857 8.431 -19.203
131 H THR 15 H THR 15 8.541 7.350 -18.328
132 HA THR 15 HA THR 15 7.567 5.331 -20.076
133 HB THR 15 HB THR 15 6.728 6.366 -17.664
134 HG1 THR 15 HG1 THR 15 4.958 4.861 -19.265
135 HG21 THR 15 3HG2 THR 15 4.583 6.992 -19.691
136 HG22 THR 15 1HG2 THR 15 5.606 8.213 -18.935
137 HG23 THR 15 2HG2 THR 15 4.516 7.242 -17.946
138 H HIS 16 H HIS 16 7.588 8.804 -20.164
139 HA HIS 16 HA HIS 16 5.544 9.024 -22.180
140 HB2 HIS 16 2HB HIS 16 6.388 10.781 -20.384
141 HB3 HIS 16 3HB HIS 16 7.503 11.220 -21.675
142 HD1 HIS 16 HD1 HIS 16 5.371 10.734 -24.000
143 HD2 HIS 16 HD2 HIS 16 4.845 13.071 -20.605
144 HE1 HIS 16 HE1 HIS 16 3.575 12.390 -24.596
145 H ARG 17 H ARG 17 9.055 8.939 -22.078
146 HA ARG 17 HA ARG 17 9.456 9.673 -24.798
147 HB2 ARG 17 2HB ARG 17 11.216 8.275 -22.785
148 HB3 ARG 17 3HB ARG 17 11.751 8.670 -24.413
149 HG2 ARG 17 2HG ARG 17 10.831 10.642 -22.331
150 HG3 ARG 17 3HG ARG 17 12.503 10.329 -22.802
151 HD2 ARG 17 2HD ARG 17 11.501 10.868 -25.209
152 HD3 ARG 17 3HD ARG 17 10.361 11.796 -24.235
153 HE ARG 17 HE ARG 17 12.020 13.311 -23.812
154 HH11 ARG 17 1HH1 ARG 17 13.450 10.369 -25.003
155 HH12 ARG 17 2HH1 ARG 17 15.043 11.039 -25.128
156 HH21 ARG 17 2HH2 ARG 17 15.419 13.221 -24.540
157 HH22 ARG 17 1HH2 ARG 17 14.113 14.205 -23.971
158 H LEU 18 H LEU 18 9.141 6.593 -23.102
159 HA LEU 18 HA LEU 18 9.651 5.033 -25.467
160 HB2 LEU 18 2HB LEU 18 9.065 3.117 -24.066
161 HB3 LEU 18 3HB LEU 18 10.260 4.159 -23.297
162 HG LEU 18 HG LEU 18 8.151 5.169 -22.103
163 HD11 LEU 18 1HD1 LEU 18 7.027 2.988 -23.555
164 HD12 LEU 18 2HD1 LEU 18 6.228 4.140 -22.485
165 HD13 LEU 18 3HD1 LEU 18 6.908 2.652 -21.828
166 HD21 LEU 18 3HD2 LEU 18 9.403 2.516 -21.407
167 HD22 LEU 18 1HD2 LEU 18 8.444 3.498 -20.299
168 HD23 LEU 18 2HD2 LEU 18 9.971 4.117 -20.929
169 H ALA 19 H ALA 19 6.890 6.404 -23.883
170 HA ALA 19 HA ALA 19 4.862 4.761 -24.911
171 HB1 ALA 19 1HB ALA 19 5.013 7.462 -23.733
172 HB2 ALA 19 2HB ALA 19 3.590 7.117 -24.718
173 HB3 ALA 19 3HB ALA 19 3.968 6.100 -23.327
174 H ARG 20 H ARG 20 6.737 7.301 -26.365
175 HA ARG 20 HA ARG 20 4.980 7.760 -28.576
176 HB2 ARG 20 2HB ARG 20 7.807 8.533 -27.929
177 HB3 ARG 20 3HB ARG 20 7.161 8.801 -29.542
178 HG2 ARG 20 2HG ARG 20 5.915 9.864 -27.017
179 HG3 ARG 20 3HG ARG 20 7.015 10.775 -28.054
180 HD2 ARG 20 2HD ARG 20 4.994 9.663 -29.701
181 HD3 ARG 20 3HD ARG 20 4.203 10.411 -28.313
182 HE ARG 20 HE ARG 20 5.448 11.752 -30.480
183 HH11 ARG 20 1HH1 ARG 20 4.927 11.949 -27.043
184 HH12 ARG 20 2HH1 ARG 20 5.050 13.677 -26.992
185 HH21 ARG 20 2HH2 ARG 20 5.439 14.857 -28.916
186 HH22 ARG 20 1HH2 ARG 20 5.613 14.027 -30.425
187 H ARG 21 H ARG 21 4.527 5.854 -29.618
188 HA ARG 21 HA ARG 21 6.757 4.237 -30.603
189 HB2 ARG 21 2HB ARG 21 3.796 3.682 -30.833
190 HB3 ARG 21 3HB ARG 21 5.112 2.554 -31.130
191 HG2 ARG 21 2HG ARG 21 5.017 1.905 -29.021
192 HG3 ARG 21 3HG ARG 21 5.430 3.541 -28.503
193 HD2 ARG 21 2HD ARG 21 3.050 4.148 -28.584
194 HD3 ARG 21 3HD ARG 21 2.655 2.498 -29.062
195 HE ARG 21 HE ARG 21 3.290 3.433 -26.421
196 HH11 ARG 21 1HH1 ARG 21 3.248 0.676 -28.546
197 HH12 ARG 21 2HH1 ARG 21 3.163 -0.479 -27.258
198 HH21 ARG 21 2HH2 ARG 21 3.124 0.230 -25.080
199 HH22 ARG 21 1HH2 ARG 21 3.180 1.922 -24.716
200 H ASN 22 H ASN 22 6.242 6.869 -31.704
201 HA ASN 22 HA ASN 22 5.278 6.224 -34.402
202 HB2 ASN 22 2HB ASN 22 5.001 8.520 -32.705
203 HB3 ASN 22 3HB ASN 22 5.839 8.993 -34.180
204 HD21 ASN 22 2HD2 ASN 22 1.899 8.248 -34.189
205 HD22 ASN 22 1HD2 ASN 22 2.869 8.205 -32.760
206 H ALA 23 H ALA 23 8.004 7.638 -32.653
207 HA ALA 23 HA ALA 23 9.597 7.516 -35.126
208 HB1 ALA 23 1HB ALA 23 9.390 9.485 -33.048
209 HB2 ALA 23 2HB ALA 23 11.051 8.904 -33.174
210 HB3 ALA 23 3HB ALA 23 10.241 9.571 -34.591
211 H GLY 24 H GLY 24 9.304 6.334 -31.873
212 HA2 GLY 24 2HA GLY 24 11.945 5.072 -31.989
213 HA3 GLY 24 3HA GLY 24 10.897 5.149 -30.581
214 H ALA 25 H ALA 25 9.449 4.247 -33.567
215 HA ALA 25 HA ALA 25 8.490 1.802 -32.605
216 HB1 ALA 25 1HB ALA 25 8.337 3.312 -35.049
217 HB2 ALA 25 2HB ALA 25 8.515 1.591 -35.390
218 HB3 ALA 25 3HB ALA 25 7.191 2.155 -34.371
219 H THR 26 H THR 26 11.495 2.632 -34.111
220 HA THR 26 HA THR 26 12.183 -0.214 -34.398
221 HB THR 26 HB THR 26 14.279 1.091 -35.543
222 HG1 THR 26 HG1 THR 26 11.944 2.618 -36.138
223 HG21 THR 26 3HG2 THR 26 12.624 0.823 -37.681
224 HG22 THR 26 1HG2 THR 26 11.817 -0.205 -36.498
225 HG23 THR 26 2HG2 THR 26 13.500 -0.510 -36.929
226 H LEU 27 H LEU 27 12.534 -0.421 -32.103
227 HA LEU 27 HA LEU 27 14.462 1.143 -30.724
228 HB2 LEU 27 2HB LEU 27 14.331 -0.621 -29.006
229 HB3 LEU 27 3HB LEU 27 12.755 -0.004 -29.495
230 HG LEU 27 HG LEU 27 13.393 -2.311 -31.064
231 HD11 LEU 27 1HD1 LEU 27 13.714 -2.614 -28.089
232 HD12 LEU 27 2HD1 LEU 27 14.848 -3.080 -29.356
233 HD13 LEU 27 3HD1 LEU 27 13.328 -3.955 -29.167
234 HD21 LEU 27 3HD2 LEU 27 11.157 -1.319 -30.506
235 HD22 LEU 27 1HD2 LEU 27 11.337 -1.995 -28.887
236 HD23 LEU 27 2HD2 LEU 27 11.274 -3.066 -30.287
237 H ARG 28 H ARG 28 14.632 -1.692 -32.726
238 HA ARG 28 HA ARG 28 17.024 -2.831 -31.929
239 HB2 ARG 28 2HB ARG 28 15.554 -2.669 -34.517
240 HB3 ARG 28 3HB ARG 28 17.210 -3.260 -34.547
241 HG2 ARG 28 2HG ARG 28 16.182 -4.712 -32.504
242 HG3 ARG 28 3HG ARG 28 14.768 -4.532 -33.545
243 HD2 ARG 28 2HD ARG 28 17.460 -5.655 -34.306
244 HD3 ARG 28 3HD ARG 28 15.945 -6.543 -34.151
245 HE ARG 28 HE ARG 28 15.728 -4.446 -36.058
246 HH11 ARG 28 1HH1 ARG 28 16.985 -7.659 -35.591
247 HH12 ARG 28 2HH1 ARG 28 16.900 -8.077 -37.270
248 HH21 ARG 28 2HH2 ARG 28 16.118 -6.556 -38.794
249 HH22 ARG 28 1HH2 ARG 28 15.610 -4.986 -38.271
Start of MODEL 11
1 H1 LYS 1 H LYS 1 3.574 -1.107 1.765
2 HA LYS 1 HA LYS 1 5.258 -0.343 0.365
3 HB2 LYS 1 2HB LYS 1 4.683 -2.948 -1.013
4 HB3 LYS 1 3HB LYS 1 5.645 -1.712 -1.812
5 HG2 LYS 1 2HG LYS 1 7.049 -1.738 0.359
6 HG3 LYS 1 3HG LYS 1 6.270 -3.296 0.643
7 HD2 LYS 1 2HD LYS 1 7.946 -4.141 -0.583
8 HD3 LYS 1 3HD LYS 1 7.053 -3.511 -1.969
9 HE2 LYS 1 2HE LYS 1 9.367 -2.816 -2.094
10 HE3 LYS 1 3HE LYS 1 8.334 -1.415 -1.812
11 HZ1 LYS 1 3HZ LYS 1 10.529 -2.164 -0.339
12 HZ2 LYS 1 1HZ LYS 1 9.206 -2.561 0.639
13 HZ3 LYS 1 2HZ LYS 1 9.393 -0.979 0.071
14 H TYR 2 H TYR 2 3.027 0.943 0.387
15 HA TYR 2 HA TYR 2 1.595 0.954 -2.093
16 HB2 TYR 2 2HB TYR 2 1.113 1.928 0.451
17 HB3 TYR 2 3HB TYR 2 1.379 3.389 -0.493
18 HD1 TYR 2 HD1 TYR 2 -0.554 4.377 -1.246
19 HD2 TYR 2 HD2 TYR 2 -0.394 0.132 -1.011
20 HE1 TYR 2 HE1 TYR 2 -2.857 4.249 -2.100
21 HE2 TYR 2 HE2 TYR 2 -2.696 -0.008 -1.866
22 HH TYR 2 HH TYR 2 -4.739 2.719 -2.099
23 H GLU 3 H GLU 3 4.496 2.370 -0.969
24 HA GLU 3 HA GLU 3 4.585 4.732 -2.476
25 HB2 GLU 3 2HB GLU 3 6.938 2.970 -1.781
26 HB3 GLU 3 3HB GLU 3 6.971 4.693 -2.127
27 HG2 GLU 3 2HG GLU 3 5.183 4.476 -0.033
28 HG3 GLU 3 3HG GLU 3 6.443 3.308 0.358
29 H ILE 4 H ILE 4 4.729 1.465 -3.447
30 HA ILE 4 HA ILE 4 6.331 1.631 -5.744
31 HB ILE 4 HB ILE 4 5.459 -0.481 -4.666
32 HG12 ILE 4 2HG1 ILE 4 5.111 -0.160 -7.655
33 HG13 ILE 4 3HG1 ILE 4 6.621 -0.507 -6.819
34 HG21 ILE 4 1HG2 ILE 4 3.087 -0.444 -6.409
35 HG22 ILE 4 2HG2 ILE 4 3.303 -1.122 -4.796
36 HG23 ILE 4 3HG2 ILE 4 3.012 0.606 -4.994
37 HD11 ILE 4 3HD1 ILE 4 4.417 -2.286 -7.560
38 HD12 ILE 4 1HD1 ILE 4 6.134 -2.625 -7.342
39 HD13 ILE 4 2HD1 ILE 4 5.067 -2.539 -5.940
40 H THR 5 H THR 5 3.216 2.880 -5.088
41 HA THR 5 HA THR 5 2.355 3.003 -7.841
42 HB THR 5 HB THR 5 0.782 2.828 -5.861
43 HG1 THR 5 HG1 THR 5 -0.632 4.553 -6.866
44 HG21 THR 5 3HG2 THR 5 0.969 5.797 -5.628
45 HG22 THR 5 1HG2 THR 5 2.100 4.796 -4.717
46 HG23 THR 5 2HG2 THR 5 0.363 4.614 -4.469
47 H THR 6 H THR 6 3.830 5.152 -5.484
48 HA THR 6 HA THR 6 3.625 7.469 -7.196
49 HB THR 6 HB THR 6 3.550 7.751 -4.761
50 HG1 THR 6 HG1 THR 6 4.505 9.618 -5.041
51 HG21 THR 6 3HG2 THR 6 6.308 6.558 -4.902
52 HG22 THR 6 1HG2 THR 6 4.941 6.050 -3.910
53 HG23 THR 6 2HG2 THR 6 5.787 7.554 -3.543
54 H ILE 7 H ILE 7 5.918 4.946 -6.570
55 HA ILE 7 HA ILE 7 8.173 6.329 -7.697
56 HB ILE 7 HB ILE 7 8.306 4.456 -5.988
57 HG12 ILE 7 2HG1 ILE 7 9.935 4.207 -8.526
58 HG13 ILE 7 3HG1 ILE 7 10.271 5.300 -7.189
59 HG21 ILE 7 1HG2 ILE 7 6.718 2.959 -7.166
60 HG22 ILE 7 2HG2 ILE 7 7.936 2.713 -8.417
61 HG23 ILE 7 3HG2 ILE 7 8.249 2.181 -6.765
62 HD11 ILE 7 3HD1 ILE 7 10.771 2.412 -7.453
63 HD12 ILE 7 1HD1 ILE 7 11.687 3.656 -6.602
64 HD13 ILE 7 2HD1 ILE 7 10.236 2.971 -5.868
65 H HIS 8 H HIS 8 5.691 4.147 -8.842
66 HA HIS 8 HA HIS 8 6.982 3.654 -11.371
67 HB2 HIS 8 2HB HIS 8 5.323 2.113 -10.121
68 HB3 HIS 8 3HB HIS 8 4.072 3.152 -10.796
69 HD1 HIS 8 HD1 HIS 8 7.187 1.735 -12.460
70 HD2 HIS 8 HD2 HIS 8 3.049 1.698 -12.837
71 HE1 HIS 8 HE1 HIS 8 6.715 0.449 -14.569
72 H ASN 9 H ASN 9 4.778 5.977 -10.059
73 HA ASN 9 HA ASN 9 3.789 6.887 -12.604
74 HB2 ASN 9 2HB ASN 9 2.355 7.135 -10.681
75 HB3 ASN 9 3HB ASN 9 3.591 8.048 -9.820
76 HD21 ASN 9 2HD2 ASN 9 1.869 10.892 -10.823
77 HD22 ASN 9 1HD2 ASN 9 2.335 9.848 -9.528
78 H LEU 10 H LEU 10 6.414 7.680 -10.459
79 HA LEU 10 HA LEU 10 7.010 10.203 -11.702
80 HB2 LEU 10 2HB LEU 10 8.407 8.471 -9.691
81 HB3 LEU 10 3HB LEU 10 9.191 9.893 -10.378
82 HG LEU 10 HG LEU 10 6.514 10.166 -9.077
83 HD11 LEU 10 1HD1 LEU 10 8.388 8.907 -7.668
84 HD12 LEU 10 2HD1 LEU 10 7.291 10.085 -6.949
85 HD13 LEU 10 3HD1 LEU 10 8.925 10.566 -7.406
86 HD21 LEU 10 3HD2 LEU 10 8.729 12.111 -8.791
87 HD22 LEU 10 1HD2 LEU 10 7.001 12.381 -9.017
88 HD23 LEU 10 2HD2 LEU 10 8.011 11.936 -10.393
89 H ALA 11 H ALA 11 7.929 6.881 -12.146
90 HA ALA 11 HA ALA 11 10.086 7.614 -13.978
91 HB1 ALA 11 1HB ALA 11 10.291 5.034 -14.090
92 HB2 ALA 11 2HB ALA 11 10.810 5.877 -12.630
93 HB3 ALA 11 3HB ALA 11 9.248 5.059 -12.668
94 H ARG 12 H ARG 12 7.519 8.348 -14.819
95 HA ARG 12 HA ARG 12 6.915 6.390 -16.931
96 HB2 ARG 12 2HB ARG 12 4.715 7.283 -17.046
97 HB3 ARG 12 3HB ARG 12 5.078 7.074 -15.338
98 HG2 ARG 12 2HG ARG 12 5.680 9.501 -15.257
99 HG3 ARG 12 3HG ARG 12 5.066 9.640 -16.906
100 HD2 ARG 12 2HD ARG 12 3.330 8.388 -14.838
101 HD3 ARG 12 3HD ARG 12 3.533 10.139 -14.818
102 HE ARG 12 HE ARG 12 2.912 9.352 -17.429
103 HH11 ARG 12 1HH1 ARG 12 1.438 9.492 -14.278
104 HH12 ARG 12 2HH1 ARG 12 -0.169 9.686 -14.895
105 HH21 ARG 12 2HH2 ARG 12 -0.531 9.751 -17.156
106 HH22 ARG 12 1HH2 ARG 12 0.801 9.607 -18.254
107 H LYS 13 H LYS 13 7.809 9.703 -16.283
108 HA LYS 13 HA LYS 13 7.424 10.697 -18.915
109 HB2 LYS 13 2HB LYS 13 8.912 12.560 -18.152
110 HB3 LYS 13 3HB LYS 13 7.536 12.258 -17.099
111 HG2 LYS 13 2HG LYS 13 8.897 12.028 -15.374
112 HG3 LYS 13 3HG LYS 13 9.705 10.680 -16.177
113 HD2 LYS 13 2HD LYS 13 11.506 12.038 -16.027
114 HD3 LYS 13 3HD LYS 13 10.824 12.744 -17.494
115 HE2 LYS 13 2HE LYS 13 9.502 14.243 -15.820
116 HE3 LYS 13 3HE LYS 13 10.766 13.770 -14.686
117 HZ1 LYS 13 3HZ LYS 13 10.874 15.656 -16.814
118 HZ2 LYS 13 1HZ LYS 13 12.093 14.493 -16.976
119 HZ3 LYS 13 2HZ LYS 13 11.972 15.399 -15.553
120 H LEU 14 H LEU 14 10.066 9.077 -17.287
121 HA LEU 14 HA LEU 14 12.076 9.639 -19.198
122 HB2 LEU 14 2HB LEU 14 13.351 7.912 -18.134
123 HB3 LEU 14 3HB LEU 14 12.514 8.852 -16.900
124 HG LEU 14 HG LEU 14 10.748 6.883 -17.136
125 HD11 LEU 14 1HD1 LEU 14 12.649 5.969 -18.869
126 HD12 LEU 14 2HD1 LEU 14 11.455 4.967 -18.045
127 HD13 LEU 14 3HD1 LEU 14 13.077 5.135 -17.375
128 HD21 LEU 14 3HD2 LEU 14 11.793 5.832 -15.220
129 HD22 LEU 14 1HD2 LEU 14 11.932 7.586 -15.096
130 HD23 LEU 14 2HD2 LEU 14 13.326 6.625 -15.589
131 H THR 15 H THR 15 9.466 7.375 -19.103
132 HA THR 15 HA THR 15 10.544 5.597 -21.089
133 HB THR 15 HB THR 15 8.061 5.765 -19.511
134 HG1 THR 15 HG1 THR 15 9.741 3.691 -20.503
135 HG21 THR 15 3HG2 THR 15 8.078 4.638 -22.307
136 HG22 THR 15 1HG2 THR 15 6.986 5.850 -21.638
137 HG23 THR 15 2HG2 THR 15 6.895 4.178 -21.083
138 H HIS 16 H HIS 16 8.579 8.471 -21.064
139 HA HIS 16 HA HIS 16 7.666 8.159 -23.780
140 HB2 HIS 16 2HB HIS 16 6.446 9.408 -21.909
141 HB3 HIS 16 3HB HIS 16 7.608 10.706 -22.168
142 HD1 HIS 16 HD1 HIS 16 5.245 8.666 -24.358
143 HD2 HIS 16 HD2 HIS 16 6.661 12.544 -23.895
144 HE1 HIS 16 HE1 HIS 16 4.046 10.031 -26.096
145 H ARG 17 H ARG 17 10.295 9.747 -22.119
146 HA ARG 17 HA ARG 17 11.087 11.414 -24.291
147 HB2 ARG 17 2HB ARG 17 12.534 10.476 -21.814
148 HB3 ARG 17 3HB ARG 17 13.242 11.585 -22.980
149 HG2 ARG 17 2HG ARG 17 10.729 12.068 -21.393
150 HG3 ARG 17 3HG ARG 17 12.315 12.771 -21.069
151 HD2 ARG 17 2HD ARG 17 11.994 13.453 -23.662
152 HD3 ARG 17 3HD ARG 17 10.315 13.455 -23.122
153 HE ARG 17 HE ARG 17 11.923 14.876 -21.288
154 HH11 ARG 17 1HH1 ARG 17 10.562 15.127 -24.482
155 HH12 ARG 17 2HH1 ARG 17 10.493 16.858 -24.459
156 HH21 ARG 17 2HH2 ARG 17 11.220 18.011 -22.617
157 HH22 ARG 17 1HH2 ARG 17 11.838 17.155 -21.245
158 H LEU 18 H LEU 18 12.042 8.211 -23.151
159 HA LEU 18 HA LEU 18 14.116 7.918 -25.120
160 HB2 LEU 18 2HB LEU 18 14.235 5.599 -24.310
161 HB3 LEU 18 3HB LEU 18 14.336 6.785 -23.011
162 HG LEU 18 HG LEU 18 11.776 6.312 -22.770
163 HD11 LEU 18 1HD1 LEU 18 12.639 4.299 -24.686
164 HD12 LEU 18 2HD1 LEU 18 11.014 4.821 -24.242
165 HD13 LEU 18 3HD1 LEU 18 11.849 3.611 -23.267
166 HD21 LEU 18 3HD2 LEU 18 13.841 4.299 -21.887
167 HD22 LEU 18 1HD2 LEU 18 12.267 4.584 -21.143
168 HD23 LEU 18 2HD2 LEU 18 13.508 5.837 -21.090
169 H ALA 19 H ALA 19 10.723 7.251 -24.922
170 HA ALA 19 HA ALA 19 10.507 5.276 -26.913
171 HB1 ALA 19 1HB ALA 19 8.136 6.467 -27.135
172 HB2 ALA 19 2HB ALA 19 8.551 5.427 -25.771
173 HB3 ALA 19 3HB ALA 19 8.653 7.180 -25.606
174 H ARG 20 H ARG 20 11.016 8.695 -27.089
175 HA ARG 20 HA ARG 20 10.040 9.283 -29.625
176 HB2 ARG 20 2HB ARG 20 12.521 10.401 -28.307
177 HB3 ARG 20 3HB ARG 20 11.645 11.136 -29.643
178 HG2 ARG 20 2HG ARG 20 10.587 10.690 -26.859
179 HG3 ARG 20 3HG ARG 20 11.109 12.229 -27.547
180 HD2 ARG 20 2HD ARG 20 9.350 11.827 -29.349
181 HD3 ARG 20 3HD ARG 20 8.729 10.555 -28.298
182 HE ARG 20 HE ARG 20 8.990 12.943 -26.831
183 HH11 ARG 20 1HH1 ARG 20 7.050 11.514 -29.344
184 HH12 ARG 20 2HH1 ARG 20 5.639 12.445 -28.965
185 HH21 ARG 20 2HH2 ARG 20 5.691 13.960 -27.247
186 HH22 ARG 20 1HH2 ARG 20 7.139 14.176 -26.323
187 H ARG 21 H ARG 21 12.888 7.538 -28.659
188 HA ARG 21 HA ARG 21 13.807 7.431 -31.449
189 HB2 ARG 21 2HB ARG 21 15.325 6.480 -29.023
190 HB3 ARG 21 3HB ARG 21 15.955 6.804 -30.632
191 HG2 ARG 21 2HG ARG 21 16.497 8.839 -29.961
192 HG3 ARG 21 3HG ARG 21 14.780 9.197 -29.764
193 HD2 ARG 21 2HD ARG 21 15.806 9.686 -27.688
194 HD3 ARG 21 3HD ARG 21 14.949 8.160 -27.472
195 HE ARG 21 HE ARG 21 17.494 7.444 -28.177
196 HH11 ARG 21 1HH1 ARG 21 16.065 9.371 -25.655
197 HH12 ARG 21 2HH1 ARG 21 17.309 9.019 -24.501
198 HH21 ARG 21 2HH2 ARG 21 19.057 7.656 -25.079
199 HH22 ARG 21 1HH2 ARG 21 19.138 6.973 -26.668
200 H ASN 22 H ASN 22 11.524 5.930 -30.443
201 HA ASN 22 HA ASN 22 12.559 3.194 -30.802
202 HB2 ASN 22 2HB ASN 22 10.157 4.115 -29.210
203 HB3 ASN 22 3HB ASN 22 10.551 2.429 -29.529
204 HD21 ASN 22 2HD2 ASN 22 11.938 2.836 -26.278
205 HD22 ASN 22 1HD2 ASN 22 10.459 2.504 -27.107
206 H ALA 23 H ALA 23 12.352 3.370 -33.074
207 HA ALA 23 HA ALA 23 9.594 3.574 -34.078
208 HB1 ALA 23 1HB ALA 23 11.888 3.572 -35.957
209 HB2 ALA 23 2HB ALA 23 10.374 4.477 -36.013
210 HB3 ALA 23 3HB ALA 23 11.671 4.993 -34.935
211 H GLY 24 H GLY 24 12.359 1.481 -33.806
212 HA2 GLY 24 2HA GLY 24 11.368 -0.459 -35.706
213 HA3 GLY 24 3HA GLY 24 12.773 -0.638 -34.665
214 H ALA 25 H ALA 25 11.275 0.004 -32.233
215 HA ALA 25 HA ALA 25 10.596 -2.554 -31.394
216 HB1 ALA 25 1HB ALA 25 9.655 -1.521 -29.426
217 HB2 ALA 25 2HB ALA 25 11.128 -0.669 -29.890
218 HB3 ALA 25 3HB ALA 25 9.551 0.034 -30.252
219 H THR 26 H THR 26 8.694 -0.177 -33.068
220 HA THR 26 HA THR 26 6.308 -1.883 -32.791
221 HB THR 26 HB THR 26 5.809 0.307 -31.978
222 HG1 THR 26 HG1 THR 26 4.001 0.246 -33.062
223 HG21 THR 26 3HG2 THR 26 7.689 1.494 -33.034
224 HG22 THR 26 1HG2 THR 26 6.159 2.334 -33.286
225 HG23 THR 26 2HG2 THR 26 6.870 1.386 -34.592
226 H LEU 27 H LEU 27 8.347 -0.138 -35.075
227 HA LEU 27 HA LEU 27 7.052 -1.629 -37.263
228 HB2 LEU 27 2HB LEU 27 8.025 1.182 -37.093
229 HB3 LEU 27 3HB LEU 27 8.114 0.344 -38.641
230 HG LEU 27 HG LEU 27 5.523 -0.116 -37.884
231 HD11 LEU 27 1HD1 LEU 27 4.820 2.347 -37.393
232 HD12 LEU 27 2HD1 LEU 27 6.446 2.473 -36.724
233 HD13 LEU 27 3HD1 LEU 27 5.315 1.287 -36.073
234 HD21 LEU 27 3HD2 LEU 27 6.685 2.110 -39.552
235 HD22 LEU 27 1HD2 LEU 27 4.981 1.655 -39.543
236 HD23 LEU 27 2HD2 LEU 27 6.198 0.506 -40.101
237 H ARG 28 H ARG 28 8.513 -3.365 -37.038
238 HA ARG 28 HA ARG 28 11.268 -3.245 -36.885
239 HB2 ARG 28 2HB ARG 28 11.307 -5.499 -37.653
240 HB3 ARG 28 3HB ARG 28 9.822 -5.303 -36.732
241 HG2 ARG 28 2HG ARG 28 8.849 -4.758 -39.139
242 HG3 ARG 28 3HG ARG 28 10.213 -5.765 -39.629
243 HD2 ARG 28 2HD ARG 28 9.414 -7.620 -38.437
244 HD3 ARG 28 3HD ARG 28 8.301 -6.637 -37.487
245 HE ARG 28 HE ARG 28 6.770 -6.774 -39.191
246 HH11 ARG 28 1HH1 ARG 28 9.876 -7.856 -40.331
247 HH12 ARG 28 2HH1 ARG 28 9.260 -8.458 -41.835
248 HH21 ARG 28 2HH2 ARG 28 7.025 -8.289 -42.309
249 HH22 ARG 28 1HH2 ARG 28 5.947 -7.562 -41.167
Start of MODEL 12
1 H1 LYS 1 H LYS 1 -0.243 1.964 0.970
2 HA LYS 1 HA LYS 1 2.582 1.489 1.081
3 HB2 LYS 1 2HB LYS 1 0.809 -0.336 -0.537
4 HB3 LYS 1 3HB LYS 1 2.513 -0.107 -0.907
5 HG2 LYS 1 2HG LYS 1 1.548 -1.004 1.792
6 HG3 LYS 1 3HG LYS 1 1.924 -2.128 0.483
7 HD2 LYS 1 2HD LYS 1 4.177 -1.687 0.570
8 HD3 LYS 1 3HD LYS 1 3.942 -0.062 1.219
9 HE2 LYS 1 2HE LYS 1 4.800 -1.233 3.031
10 HE3 LYS 1 3HE LYS 1 3.061 -1.274 3.319
11 HZ1 LYS 1 3HZ LYS 1 3.636 -3.450 3.655
12 HZ2 LYS 1 1HZ LYS 1 4.855 -3.443 2.481
13 HZ3 LYS 1 2HZ LYS 1 3.231 -3.498 2.013
14 H TYR 2 H TYR 2 1.322 3.821 0.640
15 HA TYR 2 HA TYR 2 0.943 4.315 -2.171
16 HB2 TYR 2 2HB TYR 2 0.869 5.999 0.308
17 HB3 TYR 2 3HB TYR 2 0.940 6.771 -1.272
18 HD1 TYR 2 HD1 TYR 2 -0.873 6.149 -2.974
19 HD2 TYR 2 HD2 TYR 2 -1.175 5.268 1.177
20 HE1 TYR 2 HE1 TYR 2 -3.308 5.902 -3.210
21 HE2 TYR 2 HE2 TYR 2 -3.611 5.017 0.953
22 HH TYR 2 HH TYR 2 -5.279 4.617 -0.677
23 H GLU 3 H GLU 3 3.583 4.290 -0.002
24 HA GLU 3 HA GLU 3 5.258 6.231 -1.132
25 HB2 GLU 3 2HB GLU 3 7.099 5.017 -0.068
26 HB3 GLU 3 3HB GLU 3 5.728 5.169 1.022
27 HG2 GLU 3 2HG GLU 3 5.141 2.907 0.769
28 HG3 GLU 3 3HG GLU 3 6.193 2.710 -0.632
29 H ILE 4 H ILE 4 4.235 3.191 -2.320
30 HA ILE 4 HA ILE 4 6.474 2.766 -4.082
31 HB ILE 4 HB ILE 4 5.041 0.913 -3.164
32 HG12 ILE 4 2HG1 ILE 4 5.293 1.097 -6.174
33 HG13 ILE 4 3HG1 ILE 4 6.555 0.570 -5.065
34 HG21 ILE 4 1HG2 ILE 4 2.934 2.373 -3.922
35 HG22 ILE 4 2HG2 ILE 4 3.080 1.330 -5.335
36 HG23 ILE 4 3HG2 ILE 4 2.869 0.620 -3.735
37 HD11 ILE 4 3HD1 ILE 4 3.939 -0.813 -5.606
38 HD12 ILE 4 1HD1 ILE 4 5.544 -1.337 -6.115
39 HD13 ILE 4 2HD1 ILE 4 5.122 -1.324 -4.402
40 H THR 5 H THR 5 3.508 4.509 -4.179
41 HA THR 5 HA THR 5 3.240 4.592 -7.029
42 HB THR 5 HB THR 5 1.482 6.169 -6.696
43 HG1 THR 5 HG1 THR 5 1.231 6.878 -4.333
44 HG21 THR 5 3HG2 THR 5 0.085 5.061 -5.003
45 HG22 THR 5 1HG2 THR 5 1.509 4.228 -4.381
46 HG23 THR 5 2HG2 THR 5 0.933 3.892 -6.014
47 H THR 6 H THR 6 4.665 6.684 -4.572
48 HA THR 6 HA THR 6 5.272 8.811 -6.388
49 HB THR 6 HB THR 6 5.002 9.280 -4.010
50 HG1 THR 6 HG1 THR 6 7.153 10.355 -3.746
51 HG21 THR 6 3HG2 THR 6 7.537 7.693 -3.598
52 HG22 THR 6 1HG2 THR 6 5.920 7.136 -3.171
53 HG23 THR 6 2HG2 THR 6 6.612 8.541 -2.360
54 H ILE 7 H ILE 7 7.024 6.044 -5.089
55 HA ILE 7 HA ILE 7 9.552 6.798 -6.184
56 HB ILE 7 HB ILE 7 9.203 5.222 -4.235
57 HG12 ILE 7 2HG1 ILE 7 10.929 4.272 -6.533
58 HG13 ILE 7 3HG1 ILE 7 11.376 5.491 -5.344
59 HG21 ILE 7 1HG2 ILE 7 8.720 3.174 -6.389
60 HG22 ILE 7 2HG2 ILE 7 8.716 2.925 -4.644
61 HG23 ILE 7 3HG2 ILE 7 7.441 3.880 -5.401
62 HD11 ILE 7 3HD1 ILE 7 11.238 2.545 -5.089
63 HD12 ILE 7 1HD1 ILE 7 12.422 3.688 -4.454
64 HD13 ILE 7 2HD1 ILE 7 10.852 3.516 -3.669
65 H HIS 8 H HIS 8 6.819 4.930 -7.306
66 HA HIS 8 HA HIS 8 8.218 3.843 -9.581
67 HB2 HIS 8 2HB HIS 8 6.271 2.726 -8.401
68 HB3 HIS 8 3HB HIS 8 5.230 3.933 -9.151
69 HD1 HIS 8 HD1 HIS 8 7.993 1.709 -10.553
70 HD2 HIS 8 HD2 HIS 8 4.037 2.760 -11.262
71 HE1 HIS 8 HE1 HIS 8 7.328 0.461 -12.632
72 H ASN 9 H ASN 9 6.424 6.697 -8.845
73 HA ASN 9 HA ASN 9 5.808 7.360 -11.578
74 HB2 ASN 9 2HB ASN 9 4.305 8.195 -9.919
75 HB3 ASN 9 3HB ASN 9 5.622 8.909 -8.993
76 HD21 ASN 9 2HD2 ASN 9 4.321 10.746 -12.411
77 HD22 ASN 9 1HD2 ASN 9 4.140 9.040 -12.208
78 H LEU 10 H LEU 10 8.334 8.093 -9.267
79 HA LEU 10 HA LEU 10 9.514 10.280 -10.553
80 HB2 LEU 10 2HB LEU 10 11.286 10.013 -9.112
81 HB3 LEU 10 3HB LEU 10 9.981 9.213 -8.239
82 HG LEU 10 HG LEU 10 10.989 7.082 -9.476
83 HD11 LEU 10 1HD1 LEU 10 13.121 9.148 -9.564
84 HD12 LEU 10 2HD1 LEU 10 12.772 7.829 -10.682
85 HD13 LEU 10 3HD1 LEU 10 13.577 7.495 -9.149
86 HD21 LEU 10 3HD2 LEU 10 12.653 7.800 -7.186
87 HD22 LEU 10 1HD2 LEU 10 11.525 6.460 -7.396
88 HD23 LEU 10 2HD2 LEU 10 10.927 8.049 -6.915
89 H ALA 11 H ALA 11 9.640 6.871 -11.231
90 HA ALA 11 HA ALA 11 11.523 7.411 -13.436
91 HB1 ALA 11 1HB ALA 11 12.561 5.376 -13.140
92 HB2 ALA 11 2HB ALA 11 12.195 5.828 -11.474
93 HB3 ALA 11 3HB ALA 11 11.171 4.666 -12.317
94 H ARG 12 H ARG 12 8.932 7.945 -13.942
95 HA ARG 12 HA ARG 12 7.956 5.594 -15.425
96 HB2 ARG 12 2HB ARG 12 5.740 6.434 -15.228
97 HB3 ARG 12 3HB ARG 12 6.463 6.551 -13.629
98 HG2 ARG 12 2HG ARG 12 5.573 8.614 -13.688
99 HG3 ARG 12 3HG ARG 12 7.054 8.993 -14.570
100 HD2 ARG 12 2HD ARG 12 5.977 9.219 -16.552
101 HD3 ARG 12 3HD ARG 12 4.793 7.969 -16.172
102 HE ARG 12 HE ARG 12 4.563 10.795 -15.663
103 HH11 ARG 12 1HH1 ARG 12 3.456 7.611 -14.792
104 HH12 ARG 12 2HH1 ARG 12 1.945 8.168 -14.154
105 HH21 ARG 12 2HH2 ARG 12 1.446 10.404 -14.174
106 HH22 ARG 12 1HH2 ARG 12 2.577 11.541 -14.825
107 H LYS 13 H LYS 13 8.880 8.943 -15.617
108 HA LYS 13 HA LYS 13 7.852 9.507 -18.190
109 HB2 LYS 13 2HB LYS 13 10.269 10.733 -16.850
110 HB3 LYS 13 3HB LYS 13 9.341 11.428 -18.172
111 HG2 LYS 13 2HG LYS 13 7.618 12.061 -16.818
112 HG3 LYS 13 3HG LYS 13 7.912 10.768 -15.653
113 HD2 LYS 13 2HD LYS 13 10.083 12.015 -15.105
114 HD3 LYS 13 3HD LYS 13 9.370 13.375 -15.976
115 HE2 LYS 13 2HE LYS 13 7.565 12.157 -14.031
116 HE3 LYS 13 3HE LYS 13 9.031 12.818 -13.308
117 HZ1 LYS 13 3HZ LYS 13 8.354 14.895 -13.681
118 HZ2 LYS 13 1HZ LYS 13 6.816 14.238 -13.934
119 HZ3 LYS 13 2HZ LYS 13 7.825 14.558 -15.252
120 H LEU 14 H LEU 14 10.941 8.211 -17.068
121 HA LEU 14 HA LEU 14 12.251 8.237 -19.568
122 HB2 LEU 14 2HB LEU 14 13.797 6.628 -18.549
123 HB3 LEU 14 3HB LEU 14 13.488 8.019 -17.511
124 HG LEU 14 HG LEU 14 11.674 6.304 -16.516
125 HD11 LEU 14 1HD1 LEU 14 12.047 4.154 -16.938
126 HD12 LEU 14 2HD1 LEU 14 13.780 4.327 -16.662
127 HD13 LEU 14 3HD1 LEU 14 13.102 4.679 -18.251
128 HD21 LEU 14 3HD2 LEU 14 13.034 7.248 -14.950
129 HD22 LEU 14 1HD2 LEU 14 14.506 6.911 -15.861
130 HD23 LEU 14 2HD2 LEU 14 13.709 5.618 -14.965
131 H THR 15 H THR 15 9.863 6.155 -18.208
132 HA THR 15 HA THR 15 10.393 3.899 -19.900
133 HB THR 15 HB THR 15 8.410 4.589 -17.835
134 HG1 THR 15 HG1 THR 15 9.736 3.056 -17.150
135 HG21 THR 15 3HG2 THR 15 7.691 2.821 -20.169
136 HG22 THR 15 1HG2 THR 15 6.811 4.225 -19.569
137 HG23 THR 15 2HG2 THR 15 6.875 2.748 -18.608
138 H HIS 16 H HIS 16 8.472 6.795 -20.108
139 HA HIS 16 HA HIS 16 6.890 5.872 -22.334
140 HB2 HIS 16 2HB HIS 16 7.114 8.388 -20.760
141 HB3 HIS 16 3HB HIS 16 6.466 8.509 -22.393
142 HD1 HIS 16 HD1 HIS 16 5.835 5.982 -19.609
143 HD2 HIS 16 HD2 HIS 16 3.781 8.550 -22.148
144 HE1 HIS 16 HE1 HIS 16 3.397 5.607 -19.117
145 H ARG 17 H ARG 17 9.721 7.921 -21.850
146 HA ARG 17 HA ARG 17 9.949 8.912 -24.463
147 HB2 ARG 17 2HB ARG 17 11.318 9.281 -22.133
148 HB3 ARG 17 3HB ARG 17 12.481 8.351 -23.068
149 HG2 ARG 17 2HG ARG 17 12.661 9.988 -24.709
150 HG3 ARG 17 3HG ARG 17 11.146 10.760 -24.236
151 HD2 ARG 17 2HD ARG 17 12.509 11.036 -21.949
152 HD3 ARG 17 3HD ARG 17 13.859 11.018 -23.083
153 HE ARG 17 HE ARG 17 11.926 12.797 -24.042
154 HH11 ARG 17 1HH1 ARG 17 14.154 12.480 -21.386
155 HH12 ARG 17 2HH1 ARG 17 14.352 14.188 -21.178
156 HH21 ARG 17 2HH2 ARG 17 13.227 15.648 -22.538
157 HH22 ARG 17 1HH2 ARG 17 12.178 15.048 -23.778
158 H LEU 18 H LEU 18 11.244 5.976 -22.966
159 HA LEU 18 HA LEU 18 12.585 5.144 -25.373
160 HB2 LEU 18 2HB LEU 18 13.054 3.082 -24.126
161 HB3 LEU 18 3HB LEU 18 13.518 4.533 -23.239
162 HG LEU 18 HG LEU 18 11.185 4.218 -22.093
163 HD11 LEU 18 1HD1 LEU 18 10.058 2.386 -22.618
164 HD12 LEU 18 2HD1 LEU 18 11.410 1.398 -22.065
165 HD13 LEU 18 3HD1 LEU 18 11.325 1.912 -23.750
166 HD21 LEU 18 3HD2 LEU 18 13.233 2.206 -21.280
167 HD22 LEU 18 1HD2 LEU 18 12.277 3.306 -20.286
168 HD23 LEU 18 2HD2 LEU 18 13.633 3.924 -21.229
169 H ALA 19 H ALA 19 9.484 4.645 -23.889
170 HA ALA 19 HA ALA 19 8.725 2.295 -25.260
171 HB1 ALA 19 1HB ALA 19 7.327 4.405 -23.722
172 HB2 ALA 19 2HB ALA 19 6.351 3.410 -24.804
173 HB3 ALA 19 3HB ALA 19 7.303 2.652 -23.527
174 H ARG 20 H ARG 20 8.568 5.706 -26.088
175 HA ARG 20 HA ARG 20 6.877 5.450 -28.340
176 HB2 ARG 20 2HB ARG 20 8.132 7.542 -26.973
177 HB3 ARG 20 3HB ARG 20 8.794 7.605 -28.600
178 HG2 ARG 20 2HG ARG 20 6.946 8.990 -28.724
179 HG3 ARG 20 3HG ARG 20 6.344 7.463 -29.372
180 HD2 ARG 20 2HD ARG 20 4.839 7.265 -27.739
181 HD3 ARG 20 3HD ARG 20 6.042 7.606 -26.496
182 HE ARG 20 HE ARG 20 5.180 9.945 -27.918
183 HH11 ARG 20 1HH1 ARG 20 4.468 7.785 -25.282
184 HH12 ARG 20 2HH1 ARG 20 3.552 8.958 -24.396
185 HH21 ARG 20 2HH2 ARG 20 3.272 11.070 -25.238
186 HH22 ARG 20 1HH2 ARG 20 3.976 11.498 -26.761
187 H ARG 21 H ARG 21 7.484 3.859 -29.745
188 HA ARG 21 HA ARG 21 10.179 4.031 -30.908
189 HB2 ARG 21 2HB ARG 21 9.882 1.736 -31.631
190 HB3 ARG 21 3HB ARG 21 9.555 1.859 -29.907
191 HG2 ARG 21 2HG ARG 21 7.486 1.095 -30.158
192 HG3 ARG 21 3HG ARG 21 7.153 2.218 -31.478
193 HD2 ARG 21 2HD ARG 21 7.856 0.730 -33.097
194 HD3 ARG 21 3HD ARG 21 8.876 -0.168 -31.974
195 HE ARG 21 HE ARG 21 6.340 -0.591 -31.068
196 HH11 ARG 21 1HH1 ARG 21 7.966 -1.042 -34.113
197 HH12 ARG 21 2HH1 ARG 21 6.984 -2.389 -34.586
198 HH21 ARG 21 2HH2 ARG 21 5.320 -3.139 -33.202
199 HH22 ARG 21 1HH2 ARG 21 5.041 -2.363 -31.680
200 H ASN 22 H ASN 22 8.023 5.823 -31.630
201 HA ASN 22 HA ASN 22 7.272 4.930 -34.313
202 HB2 ASN 22 2HB ASN 22 6.256 6.986 -32.416
203 HB3 ASN 22 3HB ASN 22 6.079 7.318 -34.137
204 HD21 ASN 22 2HD2 ASN 22 3.034 5.654 -33.869
205 HD22 ASN 22 1HD2 ASN 22 3.853 7.163 -34.063
206 H ALA 23 H ALA 23 9.230 7.303 -32.647
207 HA ALA 23 HA ALA 23 9.793 8.974 -34.852
208 HB1 ALA 23 1HB ALA 23 10.962 8.538 -32.163
209 HB2 ALA 23 2HB ALA 23 11.961 9.361 -33.362
210 HB3 ALA 23 3HB ALA 23 10.385 10.021 -32.924
211 H GLY 24 H GLY 24 11.157 5.946 -33.750
212 HA2 GLY 24 2HA GLY 24 13.228 6.111 -35.836
213 HA3 GLY 24 3HA GLY 24 13.257 5.018 -34.460
214 H ALA 25 H ALA 25 10.311 5.448 -36.231
215 HA ALA 25 HA ALA 25 10.505 2.675 -37.149
216 HB1 ALA 25 1HB ALA 25 8.082 4.468 -37.114
217 HB2 ALA 25 2HB ALA 25 8.116 2.724 -37.380
218 HB3 ALA 25 3HB ALA 25 8.543 3.384 -35.802
219 H THR 26 H THR 26 12.054 4.533 -38.562
220 HA THR 26 HA THR 26 10.581 5.134 -41.008
221 HB THR 26 HB THR 26 13.151 5.877 -41.545
222 HG1 THR 26 HG1 THR 26 13.993 6.776 -39.645
223 HG21 THR 26 3HG2 THR 26 12.409 8.169 -40.827
224 HG22 THR 26 1HG2 THR 26 10.958 7.421 -40.163
225 HG23 THR 26 2HG2 THR 26 11.284 7.329 -41.894
226 H LEU 27 H LEU 27 13.753 3.658 -40.290
227 HA LEU 27 HA LEU 27 14.085 2.418 -42.762
228 HB2 LEU 27 2HB LEU 27 15.235 2.078 -40.054
229 HB3 LEU 27 3HB LEU 27 15.474 0.758 -41.197
230 HG LEU 27 HG LEU 27 17.378 2.317 -41.123
231 HD11 LEU 27 1HD1 LEU 27 16.099 1.264 -43.356
232 HD12 LEU 27 2HD1 LEU 27 17.768 1.825 -43.252
233 HD13 LEU 27 3HD1 LEU 27 16.503 2.922 -43.805
234 HD21 LEU 27 3HD2 LEU 27 17.213 4.565 -41.844
235 HD22 LEU 27 1HD2 LEU 27 15.938 4.334 -40.648
236 HD23 LEU 27 2HD2 LEU 27 15.542 4.351 -42.366
237 H ARG 28 H ARG 28 13.517 0.563 -39.783
238 HA ARG 28 HA ARG 28 12.307 -1.573 -41.281
239 HB2 ARG 28 2HB ARG 28 13.747 -1.590 -39.040
240 HB3 ARG 28 3HB ARG 28 12.150 -1.487 -38.309
241 HG2 ARG 28 2HG ARG 28 12.374 -3.515 -40.404
242 HG3 ARG 28 3HG ARG 28 13.415 -3.792 -39.006
243 HD2 ARG 28 2HD ARG 28 10.487 -3.154 -38.751
244 HD3 ARG 28 3HD ARG 28 11.087 -4.803 -38.918
245 HE ARG 28 HE ARG 28 12.472 -3.555 -36.828
246 HH11 ARG 28 1HH1 ARG 28 9.272 -4.689 -37.598
247 HH12 ARG 28 2HH1 ARG 28 8.851 -5.019 -35.950
248 HH21 ARG 28 2HH2 ARG 28 10.364 -4.617 -34.277
249 HH22 ARG 28 1HH2 ARG 28 11.930 -3.985 -34.655
Start of MODEL 13
1 H1 LYS 1 H LYS 1 3.402 -2.486 -2.083
2 HA LYS 1 HA LYS 1 4.649 -2.500 -4.105
3 HB2 LYS 1 2HB LYS 1 2.270 -3.751 -4.983
4 HB3 LYS 1 3HB LYS 1 2.519 -2.358 -6.027
5 HG2 LYS 1 2HG LYS 1 4.008 -3.509 -7.183
6 HG3 LYS 1 3HG LYS 1 5.019 -3.637 -5.741
7 HD2 LYS 1 2HD LYS 1 2.708 -5.493 -6.019
8 HD3 LYS 1 3HD LYS 1 4.139 -5.783 -7.010
9 HE2 LYS 1 2HE LYS 1 5.284 -5.350 -4.603
10 HE3 LYS 1 3HE LYS 1 3.751 -6.061 -4.102
11 HZ1 LYS 1 3HZ LYS 1 4.353 -7.799 -5.925
12 HZ2 LYS 1 1HZ LYS 1 5.035 -7.914 -4.381
13 HZ3 LYS 1 2HZ LYS 1 5.933 -7.258 -5.656
14 H TYR 2 H TYR 2 3.252 -0.464 -2.445
15 HA TYR 2 HA TYR 2 2.464 1.623 -4.267
16 HB2 TYR 2 2HB TYR 2 2.080 1.102 -1.545
17 HB3 TYR 2 3HB TYR 2 3.089 2.544 -1.591
18 HD1 TYR 2 HD1 TYR 2 2.246 4.625 -2.508
19 HD2 TYR 2 HD2 TYR 2 -0.184 1.134 -2.440
20 HE1 TYR 2 HE1 TYR 2 0.264 6.003 -2.979
21 HE2 TYR 2 HE2 TYR 2 -2.173 2.501 -2.913
22 HH TYR 2 HH TYR 2 -2.650 5.285 -2.418
23 H GLU 3 H GLU 3 5.396 0.498 -2.917
24 HA GLU 3 HA GLU 3 6.805 3.008 -3.116
25 HB2 GLU 3 2HB GLU 3 8.795 1.685 -2.542
26 HB3 GLU 3 3HB GLU 3 7.472 1.388 -1.423
27 HG2 GLU 3 2HG GLU 3 7.038 -0.576 -3.216
28 HG3 GLU 3 3HG GLU 3 8.791 -0.426 -3.321
29 H ILE 4 H ILE 4 6.422 0.091 -5.036
30 HA ILE 4 HA ILE 4 8.416 0.867 -6.968
31 HB ILE 4 HB ILE 4 7.890 -1.518 -6.469
32 HG12 ILE 4 2HG1 ILE 4 7.456 -0.669 -9.341
33 HG13 ILE 4 3HG1 ILE 4 9.019 -0.856 -8.555
34 HG21 ILE 4 1HG2 ILE 4 5.466 -1.292 -6.255
35 HG22 ILE 4 2HG2 ILE 4 5.345 -0.937 -7.977
36 HG23 ILE 4 3HG2 ILE 4 5.892 -2.525 -7.441
37 HD11 ILE 4 3HD1 ILE 4 8.542 -2.769 -9.937
38 HD12 ILE 4 1HD1 ILE 4 8.548 -3.244 -8.239
39 HD13 ILE 4 2HD1 ILE 4 7.018 -3.036 -9.092
40 H THR 5 H THR 5 4.974 1.200 -6.569
41 HA THR 5 HA THR 5 4.435 1.908 -9.296
42 HB THR 5 HB THR 5 2.750 0.957 -7.628
43 HG1 THR 5 HG1 THR 5 1.749 3.312 -8.809
44 HG21 THR 5 3HG2 THR 5 3.271 2.576 -5.817
45 HG22 THR 5 1HG2 THR 5 1.558 2.524 -6.229
46 HG23 THR 5 2HG2 THR 5 2.563 3.855 -6.802
47 H THR 6 H THR 6 5.275 3.620 -6.368
48 HA THR 6 HA THR 6 4.645 6.221 -7.443
49 HB THR 6 HB THR 6 4.476 5.821 -5.028
50 HG1 THR 6 HG1 THR 6 4.920 7.879 -4.928
51 HG21 THR 6 3HG2 THR 6 7.485 5.588 -5.052
52 HG22 THR 6 1HG2 THR 6 6.383 4.223 -4.882
53 HG23 THR 6 2HG2 THR 6 6.423 5.483 -3.649
54 H ILE 7 H ILE 7 7.504 4.217 -7.033
55 HA ILE 7 HA ILE 7 9.366 6.259 -7.770
56 HB ILE 7 HB ILE 7 9.922 4.203 -6.413
57 HG12 ILE 7 2HG1 ILE 7 11.600 4.754 -8.871
58 HG13 ILE 7 3HG1 ILE 7 11.653 5.661 -7.363
59 HG21 ILE 7 1HG2 ILE 7 8.745 2.597 -7.871
60 HG22 ILE 7 2HG2 ILE 7 9.964 2.868 -9.115
61 HG23 ILE 7 3HG2 ILE 7 10.423 2.145 -7.574
62 HD11 ILE 7 3HD1 ILE 7 12.365 3.571 -6.218
63 HD12 ILE 7 1HD1 ILE 7 12.475 2.804 -7.802
64 HD13 ILE 7 2HD1 ILE 7 13.511 4.177 -7.413
65 H HIS 8 H HIS 8 7.530 3.825 -9.480
66 HA HIS 8 HA HIS 8 8.988 4.142 -11.946
67 HB2 HIS 8 2HB HIS 8 7.788 2.025 -11.194
68 HB3 HIS 8 3HB HIS 8 6.285 2.844 -11.608
69 HD1 HIS 8 HD1 HIS 8 5.980 0.889 -13.386
70 HD2 HIS 8 HD2 HIS 8 9.132 3.500 -14.104
71 HE1 HIS 8 HE1 HIS 8 6.632 0.513 -15.785
72 H ASN 9 H ASN 9 6.280 5.623 -10.405
73 HA ASN 9 HA ASN 9 5.151 6.728 -12.812
74 HB2 ASN 9 2HB ASN 9 3.677 6.288 -10.944
75 HB3 ASN 9 3HB ASN 9 4.640 7.320 -9.891
76 HD21 ASN 9 2HD2 ASN 9 1.902 8.889 -12.437
77 HD22 ASN 9 1HD2 ASN 9 2.349 7.221 -12.497
78 H LEU 10 H LEU 10 7.396 7.749 -10.328
79 HA LEU 10 HA LEU 10 7.432 10.500 -10.844
80 HB2 LEU 10 2HB LEU 10 9.305 10.599 -9.514
81 HB3 LEU 10 3HB LEU 10 8.546 9.106 -8.965
82 HG LEU 10 HG LEU 10 10.193 8.064 -10.778
83 HD11 LEU 10 1HD1 LEU 10 12.065 10.096 -9.760
84 HD12 LEU 10 2HD1 LEU 10 10.957 10.634 -11.022
85 HD13 LEU 10 3HD1 LEU 10 12.024 9.260 -11.312
86 HD21 LEU 10 3HD2 LEU 10 10.027 8.123 -8.045
87 HD22 LEU 10 1HD2 LEU 10 11.662 8.715 -8.341
88 HD23 LEU 10 2HD2 LEU 10 11.162 7.150 -8.982
89 H ALA 11 H ALA 11 8.776 7.831 -12.592
90 HA ALA 11 HA ALA 11 10.434 9.590 -14.238
91 HB1 ALA 11 1HB ALA 11 10.161 6.616 -14.557
92 HB2 ALA 11 2HB ALA 11 11.483 7.662 -15.074
93 HB3 ALA 11 3HB ALA 11 11.234 7.340 -13.359
94 H ARG 12 H ARG 12 7.516 9.744 -14.323
95 HA ARG 12 HA ARG 12 6.362 8.438 -16.482
96 HB2 ARG 12 2HB ARG 12 4.660 10.072 -16.421
97 HB3 ARG 12 3HB ARG 12 5.244 9.952 -14.767
98 HG2 ARG 12 2HG ARG 12 6.162 12.057 -16.708
99 HG3 ARG 12 3HG ARG 12 4.826 12.275 -15.575
100 HD2 ARG 12 2HD ARG 12 6.663 11.432 -13.851
101 HD3 ARG 12 3HD ARG 12 7.747 12.101 -15.070
102 HE ARG 12 HE ARG 12 7.126 14.193 -14.401
103 HH11 ARG 12 1HH1 ARG 12 4.736 11.912 -13.303
104 HH12 ARG 12 2HH1 ARG 12 3.853 13.083 -12.381
105 HH21 ARG 12 2HH2 ARG 12 4.556 15.262 -12.319
106 HH22 ARG 12 1HH2 ARG 12 5.972 15.744 -13.191
107 H LYS 13 H LYS 13 8.656 11.033 -16.424
108 HA LYS 13 HA LYS 13 8.239 12.145 -18.958
109 HB2 LYS 13 2HB LYS 13 10.670 12.800 -18.800
110 HB3 LYS 13 3HB LYS 13 9.670 13.289 -17.438
111 HG2 LYS 13 2HG LYS 13 10.966 12.191 -16.019
112 HG3 LYS 13 3HG LYS 13 10.806 10.699 -16.948
113 HD2 LYS 13 2HD LYS 13 12.649 12.868 -17.876
114 HD3 LYS 13 3HD LYS 13 13.158 11.748 -16.611
115 HE2 LYS 13 2HE LYS 13 12.758 9.863 -18.086
116 HE3 LYS 13 3HE LYS 13 12.153 10.945 -19.340
117 HZ1 LYS 13 3HZ LYS 13 14.917 10.587 -18.384
118 HZ2 LYS 13 1HZ LYS 13 14.456 12.035 -19.127
119 HZ3 LYS 13 2HZ LYS 13 14.328 10.574 -19.969
120 H LEU 14 H LEU 14 9.788 9.188 -17.970
121 HA LEU 14 HA LEU 14 11.213 8.707 -20.383
122 HB2 LEU 14 2HB LEU 14 11.754 6.637 -19.496
123 HB3 LEU 14 3HB LEU 14 11.542 7.649 -18.069
124 HG LEU 14 HG LEU 14 9.082 6.632 -18.208
125 HD11 LEU 14 1HD1 LEU 14 10.047 4.061 -18.741
126 HD12 LEU 14 2HD1 LEU 14 10.596 5.067 -20.081
127 HD13 LEU 14 3HD1 LEU 14 8.880 4.990 -19.684
128 HD21 LEU 14 3HD2 LEU 14 11.270 6.344 -16.580
129 HD22 LEU 14 1HD2 LEU 14 10.911 4.681 -17.044
130 HD23 LEU 14 2HD2 LEU 14 9.668 5.670 -16.278
131 H THR 15 H THR 15 7.927 8.303 -19.418
132 HA THR 15 HA THR 15 7.241 6.347 -21.401
133 HB THR 15 HB THR 15 5.806 7.863 -19.324
134 HG1 THR 15 HG1 THR 15 5.350 5.287 -20.458
135 HG21 THR 15 3HG2 THR 15 4.464 7.095 -21.912
136 HG22 THR 15 1HG2 THR 15 4.496 8.680 -21.143
137 HG23 THR 15 2HG2 THR 15 3.587 7.360 -20.406
138 H HIS 16 H HIS 16 7.381 9.823 -21.249
139 HA HIS 16 HA HIS 16 5.818 10.229 -23.637
140 HB2 HIS 16 2HB HIS 16 6.781 11.852 -21.515
141 HB3 HIS 16 3HB HIS 16 7.434 12.507 -23.014
142 HD1 HIS 16 HD1 HIS 16 4.763 13.133 -20.920
143 HD2 HIS 16 HD2 HIS 16 5.003 12.456 -25.013
144 HE1 HIS 16 HE1 HIS 16 2.667 14.128 -21.891
145 H ARG 17 H ARG 17 9.236 10.167 -22.766
146 HA ARG 17 HA ARG 17 10.287 11.089 -25.196
147 HB2 ARG 17 2HB ARG 17 11.345 10.349 -22.794
148 HB3 ARG 17 3HB ARG 17 11.854 9.012 -23.817
149 HG2 ARG 17 2HG ARG 17 13.129 10.386 -25.193
150 HG3 ARG 17 3HG ARG 17 12.296 11.849 -24.661
151 HD2 ARG 17 2HD ARG 17 13.302 11.039 -22.315
152 HD3 ARG 17 3HD ARG 17 14.510 10.347 -23.396
153 HE ARG 17 HE ARG 17 14.082 13.006 -24.145
154 HH11 ARG 17 1HH1 ARG 17 15.395 11.181 -21.487
155 HH12 ARG 17 2HH1 ARG 17 16.515 12.418 -21.021
156 HH21 ARG 17 2HH2 ARG 17 16.602 14.387 -22.189
157 HH22 ARG 17 1HH2 ARG 17 15.551 14.643 -23.541
158 H LEU 18 H LEU 18 9.471 7.821 -24.104
159 HA LEU 18 HA LEU 18 10.348 6.603 -26.559
160 HB2 LEU 18 2HB LEU 18 9.384 4.550 -25.616
161 HB3 LEU 18 3HB LEU 18 10.499 5.350 -24.509
162 HG LEU 18 HG LEU 18 8.301 6.365 -23.507
163 HD11 LEU 18 1HD1 LEU 18 6.873 3.939 -23.913
164 HD12 LEU 18 2HD1 LEU 18 7.256 4.637 -25.487
165 HD13 LEU 18 3HD1 LEU 18 6.380 5.590 -24.290
166 HD21 LEU 18 3HD2 LEU 18 8.311 4.676 -21.861
167 HD22 LEU 18 1HD2 LEU 18 9.962 4.751 -22.478
168 HD23 LEU 18 2HD2 LEU 18 8.883 3.457 -23.002
169 H ALA 19 H ALA 19 7.403 7.929 -25.308
170 HA ALA 19 HA ALA 19 5.616 6.618 -27.097
171 HB1 ALA 19 1HB ALA 19 4.580 7.453 -25.196
172 HB2 ALA 19 2HB ALA 19 5.403 9.009 -25.308
173 HB3 ALA 19 3HB ALA 19 4.112 8.610 -26.442
174 H ARG 20 H ARG 20 7.420 9.642 -27.187
175 HA ARG 20 HA ARG 20 6.219 10.908 -29.327
176 HB2 ARG 20 2HB ARG 20 9.055 10.852 -28.341
177 HB3 ARG 20 3HB ARG 20 8.626 11.770 -29.778
178 HG2 ARG 20 2HG ARG 20 7.389 12.137 -27.057
179 HG3 ARG 20 3HG ARG 20 8.663 13.146 -27.745
180 HD2 ARG 20 2HD ARG 20 6.754 13.136 -29.721
181 HD3 ARG 20 3HD ARG 20 5.789 13.149 -28.246
182 HE ARG 20 HE ARG 20 7.922 15.079 -28.260
183 HH11 ARG 20 1HH1 ARG 20 4.618 14.445 -29.158
184 HH12 ARG 20 2HH1 ARG 20 4.165 16.118 -29.172
185 HH21 ARG 20 2HH2 ARG 20 5.712 17.731 -28.671
186 HH22 ARG 20 1HH2 ARG 20 7.337 17.283 -28.275
187 H ARG 21 H ARG 21 8.939 8.608 -29.434
188 HA ARG 21 HA ARG 21 8.645 8.399 -32.331
189 HB2 ARG 21 2HB ARG 21 10.754 7.662 -30.357
190 HB3 ARG 21 3HB ARG 21 10.669 6.742 -31.854
191 HG2 ARG 21 2HG ARG 21 12.134 8.376 -32.464
192 HG3 ARG 21 3HG ARG 21 10.614 9.136 -32.938
193 HD2 ARG 21 2HD ARG 21 10.769 10.727 -31.352
194 HD3 ARG 21 3HD ARG 21 11.423 9.610 -30.155
195 HE ARG 21 HE ARG 21 13.543 10.229 -30.777
196 HH11 ARG 21 1HH1 ARG 21 11.260 11.372 -33.143
197 HH12 ARG 21 2HH1 ARG 21 12.422 12.341 -33.987
198 HH21 ARG 21 2HH2 ARG 21 14.596 12.413 -33.268
199 HH22 ARG 21 1HH2 ARG 21 15.082 11.501 -31.879
200 H ASN 22 H ASN 22 6.498 7.367 -31.993
201 HA ASN 22 HA ASN 22 6.219 4.834 -30.797
202 HB2 ASN 22 2HB ASN 22 4.626 6.435 -32.755
203 HB3 ASN 22 3HB ASN 22 4.220 4.737 -32.526
204 HD21 ASN 22 2HD2 ASN 22 2.132 6.636 -30.212
205 HD22 ASN 22 1HD2 ASN 22 2.322 6.468 -31.921
206 H ALA 23 H ALA 23 7.393 5.837 -33.910
207 HA ALA 23 HA ALA 23 7.226 3.203 -35.082
208 HB1 ALA 23 1HB ALA 23 7.803 4.179 -37.050
209 HB2 ALA 23 2HB ALA 23 7.215 5.612 -36.206
210 HB3 ALA 23 3HB ALA 23 8.946 5.289 -36.294
211 H GLY 24 H GLY 24 9.572 5.110 -33.351
212 HA2 GLY 24 2HA GLY 24 11.894 3.673 -34.115
213 HA3 GLY 24 3HA GLY 24 11.727 4.676 -32.681
214 H ALA 25 H ALA 25 9.450 3.119 -31.671
215 HA ALA 25 HA ALA 25 10.984 0.820 -30.666
216 HB1 ALA 25 1HB ALA 25 9.198 0.893 -28.821
217 HB2 ALA 25 2HB ALA 25 10.432 2.153 -28.837
218 HB3 ALA 25 3HB ALA 25 8.815 2.495 -29.452
219 H THR 26 H THR 26 9.782 0.547 -33.160
220 HA THR 26 HA THR 26 7.298 -0.926 -32.726
221 HB THR 26 HB THR 26 7.494 0.659 -34.649
222 HG1 THR 26 HG1 THR 26 6.141 -0.609 -35.694
223 HG21 THR 26 3HG2 THR 26 9.164 -1.404 -36.035
224 HG22 THR 26 1HG2 THR 26 9.933 -0.134 -35.085
225 HG23 THR 26 2HG2 THR 26 8.906 0.289 -36.455
226 H LEU 27 H LEU 27 10.097 -1.821 -31.926
227 HA LEU 27 HA LEU 27 10.188 -4.339 -33.444
228 HB2 LEU 27 2HB LEU 27 12.302 -3.494 -33.647
229 HB3 LEU 27 3HB LEU 27 12.243 -2.681 -32.084
230 HG LEU 27 HG LEU 27 12.582 -4.841 -30.963
231 HD11 LEU 27 1HD1 LEU 27 12.401 -6.802 -31.993
232 HD12 LEU 27 2HD1 LEU 27 13.479 -6.300 -33.294
233 HD13 LEU 27 3HD1 LEU 27 11.759 -5.921 -33.380
234 HD21 LEU 27 3HD2 LEU 27 14.781 -4.775 -32.941
235 HD22 LEU 27 1HD2 LEU 27 14.836 -4.751 -31.179
236 HD23 LEU 27 2HD2 LEU 27 14.446 -3.279 -32.069
237 H ARG 28 H ARG 28 9.972 -2.941 -30.238
238 HA ARG 28 HA ARG 28 9.615 -5.641 -29.117
239 HB2 ARG 28 2HB ARG 28 11.321 -3.650 -28.276
240 HB3 ARG 28 3HB ARG 28 9.941 -3.446 -27.205
241 HG2 ARG 28 2HG ARG 28 10.302 -6.145 -27.129
242 HG3 ARG 28 3HG ARG 28 11.958 -5.557 -27.295
243 HD2 ARG 28 2HD ARG 28 11.066 -3.857 -25.422
244 HD3 ARG 28 3HD ARG 28 10.040 -5.246 -25.067
245 HE ARG 28 HE ARG 28 12.759 -6.020 -25.336
246 HH11 ARG 28 1HH1 ARG 28 10.516 -4.490 -23.157
247 HH12 ARG 28 2HH1 ARG 28 11.395 -4.935 -21.732
248 HH21 ARG 28 2HH2 ARG 28 13.334 -6.142 -21.909
249 HH22 ARG 28 1HH2 ARG 28 13.925 -6.612 -23.467
Start of MODEL 14
1 H1 LYS 1 H LYS 1 3.902 -4.177 -4.044
2 HA LYS 1 HA LYS 1 4.960 -2.995 -5.677
3 HB2 LYS 1 2HB LYS 1 2.210 -3.391 -6.818
4 HB3 LYS 1 3HB LYS 1 3.426 -2.488 -7.712
5 HG2 LYS 1 2HG LYS 1 4.876 -4.391 -7.788
6 HG3 LYS 1 3HG LYS 1 3.811 -5.301 -6.714
7 HD2 LYS 1 2HD LYS 1 2.597 -4.226 -9.189
8 HD3 LYS 1 3HD LYS 1 3.759 -5.541 -9.385
9 HE2 LYS 1 2HE LYS 1 1.507 -5.700 -7.405
10 HE3 LYS 1 3HE LYS 1 1.288 -6.155 -9.094
11 HZ1 LYS 1 3HZ LYS 1 2.612 -7.572 -6.978
12 HZ2 LYS 1 1HZ LYS 1 3.549 -7.467 -8.383
13 HZ3 LYS 1 2HZ LYS 1 2.003 -8.148 -8.447
14 H TYR 2 H TYR 2 3.721 -1.505 -3.477
15 HA TYR 2 HA TYR 2 2.693 0.938 -4.593
16 HB2 TYR 2 2HB TYR 2 2.166 -0.075 -2.281
17 HB3 TYR 2 3HB TYR 2 3.707 0.611 -1.778
18 HD1 TYR 2 HD1 TYR 2 0.465 1.556 -3.354
19 HD2 TYR 2 HD2 TYR 2 3.806 2.818 -1.042
20 HE1 TYR 2 HE1 TYR 2 -0.638 3.718 -2.952
21 HE2 TYR 2 HE2 TYR 2 2.712 4.982 -0.632
22 HH TYR 2 HH TYR 2 -0.489 5.546 -1.110
23 H GLU 3 H GLU 3 5.789 -0.355 -3.940
24 HA GLU 3 HA GLU 3 7.124 2.187 -3.656
25 HB2 GLU 3 2HB GLU 3 9.191 0.855 -3.680
26 HB3 GLU 3 3HB GLU 3 8.026 0.230 -2.522
27 HG2 GLU 3 2HG GLU 3 7.373 -1.270 -4.633
28 HG3 GLU 3 3HG GLU 3 9.072 -0.977 -5.002
29 H ILE 4 H ILE 4 6.573 -0.185 -6.193
30 HA ILE 4 HA ILE 4 8.278 1.166 -8.085
31 HB ILE 4 HB ILE 4 7.904 -1.299 -8.141
32 HG12 ILE 4 2HG1 ILE 4 7.089 0.208 -10.635
33 HG13 ILE 4 3HG1 ILE 4 8.742 -0.091 -10.110
34 HG21 ILE 4 1HG2 ILE 4 5.174 -0.547 -9.177
35 HG22 ILE 4 2HG2 ILE 4 5.841 -2.176 -9.079
36 HG23 ILE 4 3HG2 ILE 4 5.511 -1.268 -7.603
37 HD11 ILE 4 3HD1 ILE 4 7.821 -2.608 -10.183
38 HD12 ILE 4 1HD1 ILE 4 6.821 -1.877 -11.438
39 HD13 ILE 4 2HD1 ILE 4 8.580 -1.801 -11.555
40 H THR 5 H THR 5 4.918 1.192 -7.199
41 HA THR 5 HA THR 5 4.000 2.492 -9.588
42 HB THR 5 HB THR 5 2.591 1.066 -7.983
43 HG1 THR 5 HG1 THR 5 0.897 2.013 -8.891
44 HG21 THR 5 3HG2 THR 5 2.047 3.633 -6.554
45 HG22 THR 5 1HG2 THR 5 3.385 2.614 -6.024
46 HG23 THR 5 2HG2 THR 5 1.741 1.975 -6.038
47 H THR 6 H THR 6 5.188 3.499 -6.464
48 HA THR 6 HA THR 6 4.334 6.237 -6.770
49 HB THR 6 HB THR 6 4.526 5.247 -4.528
50 HG1 THR 6 HG1 THR 6 5.118 7.145 -3.762
51 HG21 THR 6 3HG2 THR 6 6.463 3.789 -4.977
52 HG22 THR 6 1HG2 THR 6 6.703 4.788 -3.544
53 HG23 THR 6 2HG2 THR 6 7.499 5.214 -5.059
54 H ILE 7 H ILE 7 7.275 4.378 -7.256
55 HA ILE 7 HA ILE 7 8.957 6.649 -7.694
56 HB ILE 7 HB ILE 7 9.758 4.363 -6.984
57 HG12 ILE 7 2HG1 ILE 7 11.047 5.601 -9.426
58 HG13 ILE 7 3HG1 ILE 7 11.295 6.112 -7.761
59 HG21 ILE 7 1HG2 ILE 7 8.440 3.071 -8.603
60 HG22 ILE 7 2HG2 ILE 7 9.408 3.742 -9.914
61 HG23 ILE 7 3HG2 ILE 7 10.160 2.699 -8.707
62 HD11 ILE 7 3HD1 ILE 7 12.140 3.752 -7.337
63 HD12 ILE 7 1HD1 ILE 7 12.196 3.586 -9.092
64 HD13 ILE 7 2HD1 ILE 7 13.166 4.823 -8.291
65 H HIS 8 H HIS 8 6.955 4.606 -9.702
66 HA HIS 8 HA HIS 8 8.038 5.600 -12.181
67 HB2 HIS 8 2HB HIS 8 6.996 3.300 -11.824
68 HB3 HIS 8 3HB HIS 8 5.435 4.116 -11.828
69 HD1 HIS 8 HD1 HIS 8 4.355 3.884 -14.027
70 HD2 HIS 8 HD2 HIS 8 8.479 4.252 -14.378
71 HE1 HIS 8 HE1 HIS 8 4.828 3.818 -16.496
72 H ASN 9 H ASN 9 5.505 6.470 -9.989
73 HA ASN 9 HA ASN 9 3.998 8.047 -11.842
74 HB2 ASN 9 2HB ASN 9 3.956 7.565 -8.903
75 HB3 ASN 9 3HB ASN 9 3.188 9.034 -9.497
76 HD21 ASN 9 2HD2 ASN 9 0.550 6.548 -9.407
77 HD22 ASN 9 1HD2 ASN 9 1.527 7.454 -8.308
78 H LEU 10 H LEU 10 6.786 8.560 -9.865
79 HA LEU 10 HA LEU 10 6.620 11.435 -9.896
80 HB2 LEU 10 2HB LEU 10 7.784 10.794 -8.051
81 HB3 LEU 10 3HB LEU 10 8.497 9.396 -8.854
82 HG LEU 10 HG LEU 10 10.088 10.878 -9.995
83 HD11 LEU 10 1HD1 LEU 10 9.750 13.062 -10.141
84 HD12 LEU 10 2HD1 LEU 10 9.809 13.211 -8.385
85 HD13 LEU 10 3HD1 LEU 10 8.274 12.888 -9.192
86 HD21 LEU 10 3HD2 LEU 10 11.395 11.512 -7.988
87 HD22 LEU 10 1HD2 LEU 10 10.774 9.862 -7.923
88 HD23 LEU 10 2HD2 LEU 10 9.987 11.137 -6.992
89 H ALA 11 H ALA 11 8.308 8.932 -11.705
90 HA ALA 11 HA ALA 11 9.617 10.960 -13.361
91 HB1 ALA 11 1HB ALA 11 10.682 8.747 -12.361
92 HB2 ALA 11 2HB ALA 11 10.037 8.064 -13.854
93 HB3 ALA 11 3HB ALA 11 11.182 9.404 -13.920
94 H ARG 12 H ARG 12 6.774 10.636 -13.543
95 HA ARG 12 HA ARG 12 5.882 9.017 -15.610
96 HB2 ARG 12 2HB ARG 12 4.023 10.596 -15.848
97 HB3 ARG 12 3HB ARG 12 4.373 10.278 -14.154
98 HG2 ARG 12 2HG ARG 12 5.910 12.470 -14.612
99 HG3 ARG 12 3HG ARG 12 4.537 12.770 -15.679
100 HD2 ARG 12 2HD ARG 12 3.141 12.079 -13.575
101 HD3 ARG 12 3HD ARG 12 4.616 12.504 -12.707
102 HE ARG 12 HE ARG 12 4.207 14.660 -14.271
103 HH11 ARG 12 1HH1 ARG 12 2.145 12.893 -12.092
104 HH12 ARG 12 2HH1 ARG 12 1.189 14.275 -11.668
105 HH21 ARG 12 2HH2 ARG 12 1.651 16.318 -12.596
106 HH22 ARG 12 1HH2 ARG 12 2.956 16.486 -13.721
107 H LYS 13 H LYS 13 7.711 11.971 -15.722
108 HA LYS 13 HA LYS 13 7.217 12.643 -18.429
109 HB2 LYS 13 2HB LYS 13 9.659 13.287 -16.768
110 HB3 LYS 13 3HB LYS 13 9.137 14.120 -18.227
111 HG2 LYS 13 2HG LYS 13 7.468 15.247 -17.157
112 HG3 LYS 13 3HG LYS 13 7.250 13.990 -15.936
113 HD2 LYS 13 2HD LYS 13 9.572 14.671 -15.093
114 HD3 LYS 13 3HD LYS 13 9.370 16.115 -16.088
115 HE2 LYS 13 2HE LYS 13 6.999 15.672 -14.544
116 HE3 LYS 13 3HE LYS 13 8.405 15.648 -13.481
117 HZ1 LYS 13 3HZ LYS 13 8.398 17.847 -13.570
118 HZ2 LYS 13 1HZ LYS 13 7.154 17.860 -14.717
119 HZ3 LYS 13 2HZ LYS 13 8.767 17.772 -15.219
120 H LEU 14 H LEU 14 9.674 10.669 -16.836
121 HA LEU 14 HA LEU 14 11.335 10.229 -19.047
122 HB2 LEU 14 2HB LEU 14 10.749 8.536 -16.629
123 HB3 LEU 14 3HB LEU 14 11.982 8.125 -17.819
124 HG LEU 14 HG LEU 14 11.951 10.557 -16.034
125 HD11 LEU 14 1HD1 LEU 14 13.429 9.508 -14.684
126 HD12 LEU 14 2HD1 LEU 14 14.145 8.580 -16.001
127 HD13 LEU 14 3HD1 LEU 14 12.611 8.071 -15.297
128 HD21 LEU 14 3HD2 LEU 14 14.457 10.234 -17.228
129 HD22 LEU 14 1HD2 LEU 14 13.281 11.512 -17.534
130 HD23 LEU 14 2HD2 LEU 14 13.285 10.060 -18.535
131 H THR 15 H THR 15 8.435 8.545 -17.946
132 HA THR 15 HA THR 15 8.560 6.394 -19.766
133 HB THR 15 HB THR 15 6.893 7.074 -17.683
134 HG1 THR 15 HG1 THR 15 6.547 5.076 -19.690
135 HG21 THR 15 3HG2 THR 15 5.200 7.008 -20.179
136 HG22 THR 15 1HG2 THR 15 5.580 8.481 -19.288
137 HG23 THR 15 2HG2 THR 15 4.649 7.198 -18.514
138 H HIS 16 H HIS 16 7.488 9.685 -20.083
139 HA HIS 16 HA HIS 16 6.033 9.239 -22.530
140 HB2 HIS 16 2HB HIS 16 6.458 11.439 -20.683
141 HB3 HIS 16 3HB HIS 16 6.603 11.965 -22.357
142 HD1 HIS 16 HD1 HIS 16 4.471 11.535 -23.893
143 HD2 HIS 16 HD2 HIS 16 3.894 10.993 -19.814
144 HE1 HIS 16 HE1 HIS 16 1.978 11.537 -23.560
145 H ARG 17 H ARG 17 9.207 10.485 -21.609
146 HA ARG 17 HA ARG 17 10.031 11.380 -24.133
147 HB2 ARG 17 2HB ARG 17 11.125 11.380 -21.635
148 HB3 ARG 17 3HB ARG 17 12.123 10.179 -22.443
149 HG2 ARG 17 2HG ARG 17 12.936 11.714 -23.991
150 HG3 ARG 17 3HG ARG 17 11.623 12.854 -23.687
151 HD2 ARG 17 2HD ARG 17 12.695 12.763 -21.237
152 HD3 ARG 17 3HD ARG 17 14.132 12.391 -22.188
153 HE ARG 17 HE ARG 17 12.863 14.922 -21.942
154 HH11 ARG 17 1HH1 ARG 17 14.595 12.892 -24.177
155 HH12 ARG 17 2HH1 ARG 17 15.210 14.218 -25.107
156 HH21 ARG 17 2HH2 ARG 17 14.681 16.370 -24.527
157 HH22 ARG 17 1HH2 ARG 17 13.665 16.676 -23.159
158 H LEU 18 H LEU 18 10.314 8.207 -22.588
159 HA LEU 18 HA LEU 18 11.740 7.045 -24.788
160 HB2 LEU 18 2HB LEU 18 10.256 5.604 -22.602
161 HB3 LEU 18 3HB LEU 18 11.566 4.980 -23.603
162 HG LEU 18 HG LEU 18 12.065 7.314 -21.803
163 HD11 LEU 18 1HD1 LEU 18 11.900 4.426 -20.972
164 HD12 LEU 18 2HD1 LEU 18 11.029 5.800 -20.292
165 HD13 LEU 18 3HD1 LEU 18 12.771 5.658 -20.059
166 HD21 LEU 18 3HD2 LEU 18 14.311 6.289 -21.737
167 HD22 LEU 18 1HD2 LEU 18 13.795 6.703 -23.372
168 HD23 LEU 18 2HD2 LEU 18 13.741 5.026 -22.829
169 H ALA 19 H ALA 19 8.395 7.311 -23.807
170 HA ALA 19 HA ALA 19 7.286 5.326 -25.453
171 HB1 ALA 19 1HB ALA 19 5.203 6.820 -25.298
172 HB2 ALA 19 2HB ALA 19 5.868 6.162 -23.802
173 HB3 ALA 19 3HB ALA 19 6.185 7.839 -24.245
174 H ARG 20 H ARG 20 8.504 8.488 -26.163
175 HA ARG 20 HA ARG 20 7.123 8.873 -28.624
176 HB2 ARG 20 2HB ARG 20 8.002 10.804 -27.534
177 HB3 ARG 20 3HB ARG 20 9.615 10.108 -27.459
178 HG2 ARG 20 2HG ARG 20 8.702 10.254 -30.183
179 HG3 ARG 20 3HG ARG 20 8.602 11.831 -29.398
180 HD2 ARG 20 2HD ARG 20 10.833 12.050 -29.293
181 HD3 ARG 20 3HD ARG 20 11.069 10.367 -28.825
182 HE ARG 20 HE ARG 20 11.454 9.847 -31.021
183 HH11 ARG 20 1HH1 ARG 20 9.976 12.993 -30.833
184 HH12 ARG 20 2HH1 ARG 20 10.199 13.342 -32.515
185 HH21 ARG 20 2HH2 ARG 20 11.210 11.807 -33.882
186 HH22 ARG 20 1HH2 ARG 20 11.754 10.295 -33.237
187 H ARG 21 H ARG 21 10.196 7.419 -27.718
188 HA ARG 21 HA ARG 21 10.722 6.782 -30.536
189 HB2 ARG 21 2HB ARG 21 13.005 6.390 -29.915
190 HB3 ARG 21 3HB ARG 21 12.510 7.923 -29.211
191 HG2 ARG 21 2HG ARG 21 11.962 5.910 -27.306
192 HG3 ARG 21 3HG ARG 21 13.591 5.632 -27.924
193 HD2 ARG 21 2HD ARG 21 12.633 8.331 -27.007
194 HD3 ARG 21 3HD ARG 21 13.388 7.168 -25.919
195 HE ARG 21 HE ARG 21 14.691 8.780 -27.908
196 HH11 ARG 21 1HH1 ARG 21 14.869 5.851 -26.034
197 HH12 ARG 21 2HH1 ARG 21 16.594 5.734 -26.139
198 HH21 ARG 21 2HH2 ARG 21 17.784 7.320 -27.286
199 HH22 ARG 21 1HH2 ARG 21 16.963 8.637 -28.052
200 H ASN 22 H ASN 22 8.731 5.418 -28.856
201 HA ASN 22 HA ASN 22 9.895 2.711 -28.877
202 HB2 ASN 22 2HB ASN 22 8.526 4.098 -26.792
203 HB3 ASN 22 3HB ASN 22 7.513 2.756 -27.316
204 HD21 ASN 22 2HD2 ASN 22 9.504 0.280 -25.929
205 HD22 ASN 22 1HD2 ASN 22 8.133 0.687 -26.898
206 H ALA 23 H ALA 23 6.790 4.436 -29.181
207 HA ALA 23 HA ALA 23 5.405 2.345 -30.447
208 HB1 ALA 23 1HB ALA 23 4.714 5.181 -31.045
209 HB2 ALA 23 2HB ALA 23 3.660 3.815 -30.674
210 HB3 ALA 23 3HB ALA 23 4.576 4.598 -29.386
211 H GLY 24 H GLY 24 7.554 4.811 -31.679
212 HA2 GLY 24 2HA GLY 24 6.857 4.254 -34.446
213 HA3 GLY 24 3HA GLY 24 8.053 5.411 -33.883
214 H ALA 25 H ALA 25 9.193 3.212 -32.125
215 HA ALA 25 HA ALA 25 10.962 2.129 -34.176
216 HB1 ALA 25 1HB ALA 25 11.643 3.250 -31.905
217 HB2 ALA 25 2HB ALA 25 11.375 1.627 -31.268
218 HB3 ALA 25 3HB ALA 25 12.560 1.887 -32.548
219 H THR 26 H THR 26 8.454 0.999 -34.291
220 HA THR 26 HA THR 26 8.759 -1.632 -33.014
221 HB THR 26 HB THR 26 6.277 -1.720 -34.125
222 HG1 THR 26 HG1 THR 26 5.606 0.241 -34.511
223 HG21 THR 26 3HG2 THR 26 5.648 -0.723 -31.711
224 HG22 THR 26 1HG2 THR 26 7.357 -1.066 -31.449
225 HG23 THR 26 2HG2 THR 26 6.264 -2.358 -31.947
226 H LEU 27 H LEU 27 10.362 -2.273 -34.586
227 HA LEU 27 HA LEU 27 9.855 -2.351 -37.362
228 HB2 LEU 27 2HB LEU 27 11.632 -4.245 -35.847
229 HB3 LEU 27 3HB LEU 27 11.771 -3.746 -37.531
230 HG LEU 27 HG LEU 27 12.175 -1.885 -35.195
231 HD11 LEU 27 1HD1 LEU 27 13.802 -3.847 -35.370
232 HD12 LEU 27 2HD1 LEU 27 14.483 -2.221 -35.331
233 HD13 LEU 27 3HD1 LEU 27 14.359 -3.088 -36.862
234 HD21 LEU 27 3HD2 LEU 27 12.394 -0.271 -36.707
235 HD22 LEU 27 1HD2 LEU 27 11.766 -1.399 -37.908
236 HD23 LEU 27 2HD2 LEU 27 13.507 -1.242 -37.672
237 H ARG 28 H ARG 28 9.060 -4.512 -34.734
238 HA ARG 28 HA ARG 28 8.054 -6.525 -36.604
239 HB2 ARG 28 2HB ARG 28 9.473 -7.064 -34.520
240 HB3 ARG 28 3HB ARG 28 8.007 -6.741 -33.604
241 HG2 ARG 28 2HG ARG 28 7.163 -8.736 -34.086
242 HG3 ARG 28 3HG ARG 28 7.508 -8.546 -35.807
243 HD2 ARG 28 2HD ARG 28 8.865 -10.321 -35.336
244 HD3 ARG 28 3HD ARG 28 9.981 -8.996 -35.003
245 HE ARG 28 HE ARG 28 8.522 -9.748 -32.678
246 HH11 ARG 28 1HH1 ARG 28 11.196 -10.666 -34.709
247 HH12 ARG 28 2HH1 ARG 28 12.040 -11.499 -33.445
248 HH21 ARG 28 2HH2 ARG 28 11.143 -11.599 -31.339
249 HH22 ARG 28 1HH2 ARG 28 9.623 -10.842 -31.005
Start of MODEL 15
1 H1 LYS 1 H LYS 1 3.093 -1.421 -0.163
2 HA LYS 1 HA LYS 1 4.559 -1.680 -1.951
3 HB2 LYS 1 2HB LYS 1 3.612 -2.594 -4.143
4 HB3 LYS 1 3HB LYS 1 3.707 -3.708 -2.786
5 HG2 LYS 1 2HG LYS 1 1.170 -2.237 -3.066
6 HG3 LYS 1 3HG LYS 1 1.533 -3.415 -4.330
7 HD2 LYS 1 2HD LYS 1 2.178 -4.785 -2.047
8 HD3 LYS 1 3HD LYS 1 0.789 -3.826 -1.531
9 HE2 LYS 1 2HE LYS 1 -0.648 -4.967 -2.846
10 HE3 LYS 1 3HE LYS 1 0.522 -5.140 -4.153
11 HZ1 LYS 1 3HZ LYS 1 1.310 -7.077 -3.318
12 HZ2 LYS 1 1HZ LYS 1 -0.260 -7.177 -2.695
13 HZ3 LYS 1 2HZ LYS 1 1.010 -6.657 -1.707
14 H TYR 2 H TYR 2 2.702 0.516 -1.199
15 HA TYR 2 HA TYR 2 1.787 1.839 -3.520
16 HB2 TYR 2 2HB TYR 2 2.246 2.588 -0.677
17 HB3 TYR 2 3HB TYR 2 2.114 3.898 -1.845
18 HD1 TYR 2 HD1 TYR 2 0.025 4.862 -1.814
19 HD2 TYR 2 HD2 TYR 2 0.331 0.643 -1.349
20 HE1 TYR 2 HE1 TYR 2 -2.428 4.700 -1.723
21 HE2 TYR 2 HE2 TYR 2 -2.121 0.470 -1.258
22 HH TYR 2 HH TYR 2 -4.183 3.309 -1.724
23 H GLU 3 H GLU 3 4.910 1.427 -2.193
24 HA GLU 3 HA GLU 3 6.198 3.768 -3.027
25 HB2 GLU 3 2HB GLU 3 8.267 2.500 -2.873
26 HB3 GLU 3 3HB GLU 3 7.216 2.106 -1.520
27 HG2 GLU 3 2HG GLU 3 6.672 0.003 -2.418
28 HG3 GLU 3 3HG GLU 3 7.333 0.420 -3.998
29 H ILE 4 H ILE 4 4.953 1.131 -4.830
30 HA ILE 4 HA ILE 4 6.611 1.161 -7.085
31 HB ILE 4 HB ILE 4 4.843 -0.547 -6.592
32 HG12 ILE 4 2HG1 ILE 4 4.765 0.739 -9.330
33 HG13 ILE 4 3HG1 ILE 4 5.951 -0.439 -8.777
34 HG21 ILE 4 1HG2 ILE 4 3.143 1.488 -6.304
35 HG22 ILE 4 2HG2 ILE 4 2.825 1.102 -7.995
36 HG23 ILE 4 3HG2 ILE 4 2.618 -0.134 -6.754
37 HD11 ILE 4 3HD1 ILE 4 3.067 -0.836 -9.442
38 HD12 ILE 4 1HD1 ILE 4 4.483 -1.702 -10.036
39 HD13 ILE 4 2HD1 ILE 4 3.916 -1.965 -8.387
40 H THR 5 H THR 5 4.208 3.392 -6.009
41 HA THR 5 HA THR 5 3.690 4.607 -8.545
42 HB THR 5 HB THR 5 2.171 4.721 -6.513
43 HG1 THR 5 HG1 THR 5 2.901 6.874 -8.161
44 HG21 THR 5 3HG2 THR 5 4.252 5.540 -5.109
45 HG22 THR 5 1HG2 THR 5 2.622 6.093 -4.728
46 HG23 THR 5 2HG2 THR 5 3.709 7.126 -5.657
47 H THR 6 H THR 6 6.004 5.105 -5.968
48 HA THR 6 HA THR 6 6.926 7.644 -6.939
49 HB THR 6 HB THR 6 8.498 7.624 -5.201
50 HG1 THR 6 HG1 THR 6 8.221 4.788 -5.212
51 HG21 THR 6 3HG2 THR 6 6.786 5.874 -3.643
52 HG22 THR 6 1HG2 THR 6 5.855 6.977 -4.655
53 HG23 THR 6 2HG2 THR 6 7.036 7.615 -3.510
54 H ILE 7 H ILE 7 8.023 4.291 -7.162
55 HA ILE 7 HA ILE 7 10.447 4.892 -8.530
56 HB ILE 7 HB ILE 7 9.967 2.763 -7.261
57 HG12 ILE 7 2HG1 ILE 7 10.943 2.500 -10.113
58 HG13 ILE 7 3HG1 ILE 7 11.915 3.004 -8.735
59 HG21 ILE 7 1HG2 ILE 7 8.481 2.038 -9.782
60 HG22 ILE 7 2HG2 ILE 7 8.823 0.964 -8.427
61 HG23 ILE 7 3HG2 ILE 7 7.744 2.341 -8.209
62 HD11 ILE 7 3HD1 ILE 7 10.792 0.300 -9.349
63 HD12 ILE 7 1HD1 ILE 7 12.467 0.768 -9.060
64 HD13 ILE 7 2HD1 ILE 7 11.317 0.737 -7.723
65 H HIS 8 H HIS 8 7.157 4.268 -9.529
66 HA HIS 8 HA HIS 8 7.826 3.942 -12.313
67 HB2 HIS 8 2HB HIS 8 5.803 2.938 -11.076
68 HB3 HIS 8 3HB HIS 8 5.076 4.534 -11.239
69 HD1 HIS 8 HD1 HIS 8 5.901 1.465 -13.151
70 HD2 HIS 8 HD2 HIS 8 4.415 5.272 -13.898
71 HE1 HIS 8 HE1 HIS 8 4.955 1.373 -15.479
72 H ASN 9 H ASN 9 7.021 6.551 -10.186
73 HA ASN 9 HA ASN 9 6.215 8.399 -12.213
74 HB2 ASN 9 2HB ASN 9 6.618 8.436 -9.306
75 HB3 ASN 9 3HB ASN 9 7.030 9.954 -10.098
76 HD21 ASN 9 2HD2 ASN 9 3.648 10.306 -11.418
77 HD22 ASN 9 1HD2 ASN 9 5.266 10.276 -12.026
78 H LEU 10 H LEU 10 9.238 7.350 -10.908
79 HA LEU 10 HA LEU 10 10.740 9.632 -11.822
80 HB2 LEU 10 2HB LEU 10 11.825 8.710 -10.050
81 HB3 LEU 10 3HB LEU 10 11.329 7.069 -10.461
82 HG LEU 10 HG LEU 10 13.040 7.006 -12.222
83 HD11 LEU 10 1HD1 LEU 10 13.035 9.800 -11.874
84 HD12 LEU 10 2HD1 LEU 10 14.004 8.843 -12.995
85 HD13 LEU 10 3HD1 LEU 10 14.632 9.226 -11.392
86 HD21 LEU 10 3HD2 LEU 10 13.908 6.028 -10.354
87 HD22 LEU 10 1HD2 LEU 10 13.709 7.476 -9.366
88 HD23 LEU 10 2HD2 LEU 10 15.037 7.373 -10.523
89 H ALA 11 H ALA 11 10.052 6.375 -12.963
90 HA ALA 11 HA ALA 11 11.672 6.853 -15.361
91 HB1 ALA 11 1HB ALA 11 11.407 4.617 -13.784
92 HB2 ALA 11 2HB ALA 11 10.377 4.252 -15.169
93 HB3 ALA 11 3HB ALA 11 12.075 4.658 -15.416
94 H ARG 12 H ARG 12 9.187 8.256 -14.979
95 HA ARG 12 HA ARG 12 7.345 6.961 -16.842
96 HB2 ARG 12 2HB ARG 12 5.729 8.594 -16.174
97 HB3 ARG 12 3HB ARG 12 6.514 8.001 -14.717
98 HG2 ARG 12 2HG ARG 12 6.662 10.180 -14.214
99 HG3 ARG 12 3HG ARG 12 8.071 10.132 -15.275
100 HD2 ARG 12 2HD ARG 12 6.999 11.856 -16.273
101 HD3 ARG 12 3HD ARG 12 6.164 10.545 -17.105
102 HE ARG 12 HE ARG 12 4.242 11.127 -16.011
103 HH11 ARG 12 1HH1 ARG 12 6.956 12.590 -14.394
104 HH12 ARG 12 2HH1 ARG 12 5.975 13.542 -13.329
105 HH21 ARG 12 2HH2 ARG 12 3.691 13.418 -13.455
106 HH22 ARG 12 1HH2 ARG 12 2.940 12.375 -14.615
107 H LYS 13 H LYS 13 9.639 9.553 -16.663
108 HA LYS 13 HA LYS 13 8.741 11.061 -18.884
109 HB2 LYS 13 2HB LYS 13 10.963 12.090 -18.837
110 HB3 LYS 13 3HB LYS 13 10.282 11.981 -17.219
111 HG2 LYS 13 2HG LYS 13 11.673 10.072 -16.719
112 HG3 LYS 13 3HG LYS 13 12.298 10.062 -18.370
113 HD2 LYS 13 2HD LYS 13 13.949 11.128 -17.056
114 HD3 LYS 13 3HD LYS 13 13.119 12.418 -17.930
115 HE2 LYS 13 2HE LYS 13 11.874 11.817 -15.372
116 HE3 LYS 13 3HE LYS 13 13.561 12.299 -15.203
117 HZ1 LYS 13 3HZ LYS 13 11.311 13.831 -16.341
118 HZ2 LYS 13 1HZ LYS 13 12.908 14.210 -16.754
119 HZ3 LYS 13 2HZ LYS 13 12.409 14.291 -15.139
120 H LEU 14 H LEU 14 10.782 8.237 -18.558
121 HA LEU 14 HA LEU 14 11.885 8.287 -21.168
122 HB2 LEU 14 2HB LEU 14 12.594 6.044 -20.743
123 HB3 LEU 14 3HB LEU 14 12.805 6.991 -19.272
124 HG LEU 14 HG LEU 14 10.423 5.947 -18.719
125 HD11 LEU 14 1HD1 LEU 14 11.259 3.431 -19.725
126 HD12 LEU 14 2HD1 LEU 14 11.188 4.563 -21.074
127 HD13 LEU 14 3HD1 LEU 14 9.768 4.311 -20.059
128 HD21 LEU 14 3HD2 LEU 14 11.549 4.298 -17.390
129 HD22 LEU 14 1HD2 LEU 14 12.538 5.759 -17.424
130 HD23 LEU 14 2HD2 LEU 14 12.978 4.373 -18.423
131 H THR 15 H THR 15 8.931 6.966 -19.811
132 HA THR 15 HA THR 15 8.202 5.418 -22.084
133 HB THR 15 HB THR 15 7.234 5.647 -19.515
134 HG1 THR 15 HG1 THR 15 6.094 3.901 -20.130
135 HG21 THR 15 3HG2 THR 15 5.052 6.597 -21.370
136 HG22 THR 15 1HG2 THR 15 5.932 7.653 -20.266
137 HG23 THR 15 2HG2 THR 15 4.943 6.339 -19.629
138 H HIS 16 H HIS 16 7.845 8.761 -21.208
139 HA HIS 16 HA HIS 16 5.809 9.325 -23.164
140 HB2 HIS 16 2HB HIS 16 6.824 10.637 -20.916
141 HB3 HIS 16 3HB HIS 16 7.302 11.648 -22.276
142 HD1 HIS 16 HD1 HIS 16 4.636 11.266 -19.983
143 HD2 HIS 16 HD2 HIS 16 4.861 12.085 -24.050
144 HE1 HIS 16 HE1 HIS 16 2.429 12.313 -20.581
145 H ARG 17 H ARG 17 9.307 9.569 -22.952
146 HA ARG 17 HA ARG 17 9.669 11.085 -25.326
147 HB2 ARG 17 2HB ARG 17 11.530 9.290 -23.767
148 HB3 ARG 17 3HB ARG 17 12.038 10.219 -25.171
149 HG2 ARG 17 2HG ARG 17 11.530 12.286 -24.050
150 HG3 ARG 17 3HG ARG 17 10.856 11.412 -22.673
151 HD2 ARG 17 2HD ARG 17 13.022 10.476 -22.158
152 HD3 ARG 17 3HD ARG 17 13.717 11.211 -23.602
153 HE ARG 17 HE ARG 17 13.253 12.476 -21.080
154 HH11 ARG 17 1HH1 ARG 17 13.460 13.016 -24.513
155 HH12 ARG 17 2HH1 ARG 17 13.899 14.684 -24.356
156 HH21 ARG 17 2HH2 ARG 17 14.110 15.625 -22.278
157 HH22 ARG 17 1HH2 ARG 17 13.830 14.672 -20.860
158 H LEU 18 H LEU 18 9.618 7.625 -24.624
159 HA LEU 18 HA LEU 18 10.293 6.875 -27.316
160 HB2 LEU 18 2HB LEU 18 9.091 5.145 -25.166
161 HB3 LEU 18 3HB LEU 18 9.983 4.618 -26.592
162 HG LEU 18 HG LEU 18 11.354 6.336 -24.571
163 HD11 LEU 18 1HD1 LEU 18 11.016 3.353 -24.303
164 HD12 LEU 18 2HD1 LEU 18 10.230 4.558 -23.284
165 HD13 LEU 18 3HD1 LEU 18 11.986 4.403 -23.271
166 HD21 LEU 18 3HD2 LEU 18 13.110 4.464 -25.360
167 HD22 LEU 18 1HD2 LEU 18 12.851 5.979 -26.224
168 HD23 LEU 18 2HD2 LEU 18 12.058 4.504 -26.776
169 H ALA 19 H ALA 19 7.365 7.288 -25.438
170 HA ALA 19 HA ALA 19 5.554 5.966 -27.115
171 HB1 ALA 19 1HB ALA 19 5.265 8.222 -25.163
172 HB2 ALA 19 2HB ALA 19 3.891 7.649 -26.110
173 HB3 ALA 19 3HB ALA 19 4.729 6.548 -25.016
174 H ARG 20 H ARG 20 6.980 9.164 -27.305
175 HA ARG 20 HA ARG 20 5.233 10.055 -29.413
176 HB2 ARG 20 2HB ARG 20 7.407 11.189 -27.802
177 HB3 ARG 20 3HB ARG 20 7.395 11.747 -29.469
178 HG2 ARG 20 2HG ARG 20 6.139 13.233 -27.993
179 HG3 ARG 20 3HG ARG 20 5.107 12.508 -29.228
180 HD2 ARG 20 2HD ARG 20 5.333 11.088 -26.636
181 HD3 ARG 20 3HD ARG 20 4.427 12.601 -26.650
182 HE ARG 20 HE ARG 20 3.488 11.115 -28.780
183 HH11 ARG 20 1HH1 ARG 20 3.664 10.790 -25.318
184 HH12 ARG 20 2HH1 ARG 20 2.231 9.822 -25.206
185 HH21 ARG 20 2HH2 ARG 20 1.058 9.283 -27.099
186 HH22 ARG 20 1HH2 ARG 20 1.600 9.842 -28.645
187 H ARG 21 H ARG 21 8.315 8.461 -29.162
188 HA ARG 21 HA ARG 21 8.596 8.584 -32.093
189 HB2 ARG 21 2HB ARG 21 10.575 8.712 -29.887
190 HB3 ARG 21 3HB ARG 21 11.046 7.799 -31.314
191 HG2 ARG 21 2HG ARG 21 11.853 9.960 -31.683
192 HG3 ARG 21 3HG ARG 21 10.383 9.856 -32.654
193 HD2 ARG 21 2HD ARG 21 9.190 11.235 -31.234
194 HD3 ARG 21 3HD ARG 21 10.244 10.901 -29.860
195 HE ARG 21 HE ARG 21 11.592 12.280 -31.971
196 HH11 ARG 21 1HH1 ARG 21 9.495 12.681 -29.221
197 HH12 ARG 21 2HH1 ARG 21 9.967 14.323 -28.936
198 HH21 ARG 21 2HH2 ARG 21 11.517 15.324 -30.294
199 HH22 ARG 21 1HH2 ARG 21 12.221 14.442 -31.606
200 H ASN 22 H ASN 22 7.188 6.778 -32.344
201 HA ASN 22 HA ASN 22 8.112 4.230 -31.248
202 HB2 ASN 22 2HB ASN 22 5.597 5.206 -31.514
203 HB3 ASN 22 3HB ASN 22 5.735 4.282 -33.006
204 HD21 ASN 22 2HD2 ASN 22 6.175 1.159 -31.269
205 HD22 ASN 22 1HD2 ASN 22 6.859 2.061 -32.574
206 H ALA 23 H ALA 23 9.629 5.608 -33.311
207 HA ALA 23 HA ALA 23 9.202 3.966 -35.690
208 HB1 ALA 23 1HB ALA 23 9.558 6.282 -36.147
209 HB2 ALA 23 2HB ALA 23 11.022 6.307 -35.163
210 HB3 ALA 23 3HB ALA 23 10.992 5.402 -36.676
211 H GLY 24 H GLY 24 11.308 4.257 -32.952
212 HA2 GLY 24 2HA GLY 24 13.202 2.346 -34.143
213 HA3 GLY 24 3HA GLY 24 13.517 3.349 -32.735
214 H ALA 25 H ALA 25 10.839 2.690 -31.608
215 HA ALA 25 HA ALA 25 11.620 0.136 -30.418
216 HB1 ALA 25 1HB ALA 25 11.124 2.081 -28.957
217 HB2 ALA 25 2HB ALA 25 9.455 2.036 -29.528
218 HB3 ALA 25 3HB ALA 25 10.115 0.673 -28.624
219 H THR 26 H THR 26 10.431 0.308 -33.099
220 HA THR 26 HA THR 26 7.716 -0.411 -33.088
221 HB THR 26 HB THR 26 8.677 -1.722 -35.286
222 HG1 THR 26 HG1 THR 26 10.400 -0.470 -36.078
223 HG21 THR 26 3HG2 THR 26 8.438 1.225 -35.523
224 HG22 THR 26 1HG2 THR 26 7.059 0.360 -34.847
225 HG23 THR 26 2HG2 THR 26 7.657 -0.053 -36.454
226 H LEU 27 H LEU 27 10.610 -2.484 -33.324
227 HA LEU 27 HA LEU 27 9.338 -4.945 -33.336
228 HB2 LEU 27 2HB LEU 27 11.966 -4.288 -32.015
229 HB3 LEU 27 3HB LEU 27 11.430 -5.883 -32.539
230 HG LEU 27 HG LEU 27 11.751 -3.646 -34.510
231 HD11 LEU 27 1HD1 LEU 27 13.843 -4.806 -32.944
232 HD12 LEU 27 2HD1 LEU 27 13.946 -3.592 -34.219
233 HD13 LEU 27 3HD1 LEU 27 14.018 -5.306 -34.627
234 HD21 LEU 27 3HD2 LEU 27 11.482 -5.240 -36.071
235 HD22 LEU 27 1HD2 LEU 27 10.729 -6.145 -34.757
236 HD23 LEU 27 2HD2 LEU 27 12.421 -6.430 -35.168
237 H ARG 28 H ARG 28 10.013 -2.789 -30.668
238 HA ARG 28 HA ARG 28 8.783 -4.732 -28.826
239 HB2 ARG 28 2HB ARG 28 9.988 -3.695 -27.022
240 HB3 ARG 28 3HB ARG 28 11.132 -4.074 -28.303
241 HG2 ARG 28 2HG ARG 28 10.499 -1.553 -28.985
242 HG3 ARG 28 3HG ARG 28 10.275 -1.468 -27.236
243 HD2 ARG 28 2HD ARG 28 12.603 -2.736 -27.255
244 HD3 ARG 28 3HD ARG 28 12.742 -1.940 -28.822
245 HE ARG 28 HE ARG 28 11.946 -0.114 -26.792
246 HH11 ARG 28 1HH1 ARG 28 14.695 -1.812 -28.087
247 HH12 ARG 28 2HH1 ARG 28 15.843 -0.633 -27.546
248 HH21 ARG 28 2HH2 ARG 28 15.132 1.219 -26.400
249 HH22 ARG 28 1HH2 ARG 28 13.447 1.446 -26.074
Start of MODEL 16
1 H1 LYS 1 H LYS 1 4.087 0.593 3.189
2 HA LYS 1 HA LYS 1 5.362 0.601 1.303
3 HB2 LYS 1 2HB LYS 1 3.948 -1.609 0.987
4 HB3 LYS 1 3HB LYS 1 3.198 -0.685 -0.308
5 HG2 LYS 1 2HG LYS 1 4.886 -1.172 -1.647
6 HG3 LYS 1 3HG LYS 1 6.012 -0.390 -0.534
7 HD2 LYS 1 2HD LYS 1 6.431 -2.405 0.617
8 HD3 LYS 1 3HD LYS 1 5.039 -3.205 -0.116
9 HE2 LYS 1 2HE LYS 1 6.355 -2.651 -2.343
10 HE3 LYS 1 3HE LYS 1 7.735 -2.649 -1.246
11 HZ1 LYS 1 3HZ LYS 1 6.644 -4.842 -2.417
12 HZ2 LYS 1 1HZ LYS 1 5.996 -4.895 -0.855
13 HZ3 LYS 1 2HZ LYS 1 7.673 -4.854 -1.074
14 H TYR 2 H TYR 2 3.961 2.880 1.869
15 HA TYR 2 HA TYR 2 2.377 3.875 -0.238
16 HB2 TYR 2 2HB TYR 2 2.890 4.779 2.212
17 HB3 TYR 2 3HB TYR 2 4.075 5.747 1.343
18 HD1 TYR 2 HD1 TYR 2 3.390 7.529 -0.124
19 HD2 TYR 2 HD2 TYR 2 0.489 5.075 1.791
20 HE1 TYR 2 HE1 TYR 2 1.633 9.136 -0.740
21 HE2 TYR 2 HE2 TYR 2 -1.276 6.674 1.179
22 HH TYR 2 HH TYR 2 -1.407 9.147 0.625
23 H GLU 3 H GLU 3 5.744 3.349 0.026
24 HA GLU 3 HA GLU 3 6.761 5.344 -1.657
25 HB2 GLU 3 2HB GLU 3 8.647 3.742 -2.042
26 HB3 GLU 3 3HB GLU 3 8.274 4.032 -0.349
27 HG2 GLU 3 2HG GLU 3 7.274 1.928 -0.093
28 HG3 GLU 3 3HG GLU 3 7.165 1.677 -1.834
29 H ILE 4 H ILE 4 4.830 2.607 -2.348
30 HA ILE 4 HA ILE 4 5.605 2.004 -4.968
31 HB ILE 4 HB ILE 4 3.986 0.697 -3.535
32 HG12 ILE 4 2HG1 ILE 4 3.151 1.360 -6.367
33 HG13 ILE 4 3HG1 ILE 4 4.359 0.168 -5.898
34 HG21 ILE 4 1HG2 ILE 4 1.824 2.421 -4.664
35 HG22 ILE 4 2HG2 ILE 4 1.777 1.319 -3.289
36 HG23 ILE 4 3HG2 ILE 4 2.607 2.868 -3.149
37 HD11 ILE 4 3HD1 ILE 4 2.451 -1.078 -6.362
38 HD12 ILE 4 1HD1 ILE 4 2.471 -0.961 -4.603
39 HD13 ILE 4 2HD1 ILE 4 1.390 0.068 -5.543
40 H THR 5 H THR 5 4.016 4.755 -3.698
41 HA THR 5 HA THR 5 2.729 5.530 -6.162
42 HB THR 5 HB THR 5 1.884 6.163 -3.863
43 HG1 THR 5 HG1 THR 5 2.330 8.504 -5.369
44 HG21 THR 5 3HG2 THR 5 3.773 8.464 -3.909
45 HG22 THR 5 1HG2 THR 5 4.343 6.927 -3.261
46 HG23 THR 5 2HG2 THR 5 2.938 7.718 -2.547
47 H THR 6 H THR 6 5.715 6.250 -4.466
48 HA THR 6 HA THR 6 6.441 8.403 -6.242
49 HB THR 6 HB THR 6 7.184 7.914 -3.728
50 HG1 THR 6 HG1 THR 6 8.035 9.770 -4.264
51 HG21 THR 6 3HG2 THR 6 9.574 6.910 -5.253
52 HG22 THR 6 1HG2 THR 6 8.389 5.814 -4.544
53 HG23 THR 6 2HG2 THR 6 9.305 6.911 -3.510
54 H ILE 7 H ILE 7 6.956 4.972 -6.041
55 HA ILE 7 HA ILE 7 9.159 4.921 -7.889
56 HB ILE 7 HB ILE 7 8.725 3.172 -6.115
57 HG12 ILE 7 2HG1 ILE 7 9.040 2.233 -8.974
58 HG13 ILE 7 3HG1 ILE 7 10.331 2.830 -7.938
59 HG21 ILE 7 1HG2 ILE 7 6.688 2.181 -8.104
60 HG22 ILE 7 2HG2 ILE 7 7.158 1.400 -6.595
61 HG23 ILE 7 3HG2 ILE 7 6.307 2.943 -6.560
62 HD11 ILE 7 3HD1 ILE 7 8.935 0.221 -7.924
63 HD12 ILE 7 1HD1 ILE 7 10.640 0.599 -7.688
64 HD13 ILE 7 2HD1 ILE 7 9.487 0.870 -6.381
65 H HIS 8 H HIS 8 5.679 4.640 -8.067
66 HA HIS 8 HA HIS 8 5.673 3.699 -10.791
67 HB2 HIS 8 2HB HIS 8 3.670 4.253 -8.706
68 HB3 HIS 8 3HB HIS 8 3.130 4.599 -10.347
69 HD1 HIS 8 HD1 HIS 8 2.485 2.116 -8.209
70 HD2 HIS 8 HD2 HIS 8 4.429 2.025 -11.880
71 HE1 HIS 8 HE1 HIS 8 2.277 -0.255 -9.022
72 H ASN 9 H ASN 9 5.663 6.750 -9.161
73 HA ASN 9 HA ASN 9 4.676 8.261 -11.402
74 HB2 ASN 9 2HB ASN 9 4.514 8.892 -8.912
75 HB3 ASN 9 3HB ASN 9 6.193 9.401 -9.063
76 HD21 ASN 9 2HD2 ASN 9 3.514 12.055 -9.846
77 HD22 ASN 9 1HD2 ASN 9 3.458 10.754 -8.711
78 H LEU 10 H LEU 10 7.768 7.211 -10.211
79 HA LEU 10 HA LEU 10 9.316 9.047 -11.782
80 HB2 LEU 10 2HB LEU 10 9.904 6.666 -10.085
81 HB3 LEU 10 3HB LEU 10 11.136 7.249 -11.203
82 HG LEU 10 HG LEU 10 9.870 8.911 -9.025
83 HD11 LEU 10 1HD1 LEU 10 12.638 7.735 -9.057
84 HD12 LEU 10 2HD1 LEU 10 11.275 6.978 -8.234
85 HD13 LEU 10 3HD1 LEU 10 11.827 8.577 -7.737
86 HD21 LEU 10 3HD2 LEU 10 10.656 10.533 -10.383
87 HD22 LEU 10 1HD2 LEU 10 11.769 9.449 -11.216
88 HD23 LEU 10 2HD2 LEU 10 12.199 10.111 -9.639
89 H ALA 11 H ALA 11 8.107 5.776 -12.159
90 HA ALA 11 HA ALA 11 9.491 5.512 -14.728
91 HB1 ALA 11 1HB ALA 11 7.774 3.341 -13.645
92 HB2 ALA 11 2HB ALA 11 9.293 3.246 -14.536
93 HB3 ALA 11 3HB ALA 11 9.298 3.687 -12.829
94 H ARG 12 H ARG 12 7.384 7.412 -14.530
95 HA ARG 12 HA ARG 12 5.159 6.144 -15.956
96 HB2 ARG 12 2HB ARG 12 3.874 8.093 -15.462
97 HB3 ARG 12 3HB ARG 12 4.715 7.641 -13.985
98 HG2 ARG 12 2HG ARG 12 5.154 9.852 -13.934
99 HG3 ARG 12 3HG ARG 12 6.498 9.366 -14.969
100 HD2 ARG 12 2HD ARG 12 5.648 10.413 -16.762
101 HD3 ARG 12 3HD ARG 12 4.005 9.877 -16.412
102 HE ARG 12 HE ARG 12 3.623 11.853 -15.305
103 HH11 ARG 12 1HH1 ARG 12 7.033 11.493 -15.909
104 HH12 ARG 12 2HH1 ARG 12 7.422 13.110 -15.424
105 HH21 ARG 12 2HH2 ARG 12 5.766 14.526 -14.715
106 HH22 ARG 12 1HH2 ARG 12 4.123 13.984 -14.664
107 H LYS 13 H LYS 13 7.776 8.408 -16.354
108 HA LYS 13 HA LYS 13 6.851 9.418 -18.886
109 HB2 LYS 13 2HB LYS 13 9.088 10.493 -18.987
110 HB3 LYS 13 3HB LYS 13 8.214 10.853 -17.504
111 HG2 LYS 13 2HG LYS 13 9.571 9.385 -16.239
112 HG3 LYS 13 3HG LYS 13 10.284 8.683 -17.693
113 HD2 LYS 13 2HD LYS 13 11.941 10.134 -16.969
114 HD3 LYS 13 3HD LYS 13 11.083 11.105 -18.167
115 HE2 LYS 13 2HE LYS 13 10.373 12.577 -16.630
116 HE3 LYS 13 3HE LYS 13 9.985 11.313 -15.464
117 HZ1 LYS 13 3HZ LYS 13 11.744 12.731 -14.640
118 HZ2 LYS 13 1HZ LYS 13 12.692 12.411 -16.004
119 HZ3 LYS 13 2HZ LYS 13 12.342 11.172 -14.908
120 H LEU 14 H LEU 14 8.868 6.812 -17.774
121 HA LEU 14 HA LEU 14 10.323 6.288 -20.108
122 HB2 LEU 14 2HB LEU 14 9.302 4.277 -18.109
123 HB3 LEU 14 3HB LEU 14 10.651 4.061 -19.222
124 HG LEU 14 HG LEU 14 10.567 5.984 -16.898
125 HD11 LEU 14 1HD1 LEU 14 11.811 4.500 -15.681
126 HD12 LEU 14 2HD1 LEU 14 12.448 3.688 -17.111
127 HD13 LEU 14 3HD1 LEU 14 10.790 3.384 -16.590
128 HD21 LEU 14 3HD2 LEU 14 11.910 6.882 -18.688
129 HD22 LEU 14 1HD2 LEU 14 12.747 5.342 -18.879
130 HD23 LEU 14 2HD2 LEU 14 12.968 6.288 -17.407
131 H THR 15 H THR 15 7.079 5.335 -19.128
132 HA THR 15 HA THR 15 6.563 3.441 -21.123
133 HB THR 15 HB THR 15 4.168 3.918 -20.738
134 HG1 THR 15 HG1 THR 15 3.940 5.551 -18.877
135 HG21 THR 15 3HG2 THR 15 4.119 3.345 -18.362
136 HG22 THR 15 1HG2 THR 15 5.806 3.833 -18.201
137 HG23 THR 15 2HG2 THR 15 5.382 2.442 -19.199
138 H HIS 16 H HIS 16 6.114 6.956 -21.105
139 HA HIS 16 HA HIS 16 4.987 7.026 -23.739
140 HB2 HIS 16 2HB HIS 16 5.269 8.833 -21.586
141 HB3 HIS 16 3HB HIS 16 6.110 9.555 -22.955
142 HD1 HIS 16 HD1 HIS 16 4.663 10.918 -24.415
143 HD2 HIS 16 HD2 HIS 16 2.507 7.973 -22.431
144 HE1 HIS 16 HE1 HIS 16 2.265 11.279 -25.079
145 H ARG 17 H ARG 17 8.181 7.136 -22.395
146 HA ARG 17 HA ARG 17 9.444 8.265 -24.707
147 HB2 ARG 17 2HB ARG 17 10.566 6.786 -22.323
148 HB3 ARG 17 3HB ARG 17 11.552 7.523 -23.578
149 HG2 ARG 17 2HG ARG 17 11.103 9.652 -22.879
150 HG3 ARG 17 3HG ARG 17 9.542 9.211 -22.184
151 HD2 ARG 17 2HD ARG 17 10.482 9.048 -20.181
152 HD3 ARG 17 3HD ARG 17 11.545 7.777 -20.785
153 HE ARG 17 HE ARG 17 12.227 10.531 -20.310
154 HH11 ARG 17 1HH1 ARG 17 13.038 7.633 -22.061
155 HH12 ARG 17 2HH1 ARG 17 14.694 8.084 -22.298
156 HH21 ARG 17 2HH2 ARG 17 15.471 10.076 -21.474
157 HH22 ARG 17 1HH2 ARG 17 14.405 11.135 -20.615
158 H LEU 18 H LEU 18 8.923 5.011 -23.445
159 HA LEU 18 HA LEU 18 10.442 3.756 -25.543
160 HB2 LEU 18 2HB LEU 18 9.978 1.736 -24.497
161 HB3 LEU 18 3HB LEU 18 10.058 2.890 -23.167
162 HG LEU 18 HG LEU 18 7.425 2.942 -23.589
163 HD11 LEU 18 1HD1 LEU 18 7.000 1.444 -25.243
164 HD12 LEU 18 2HD1 LEU 18 6.953 0.345 -23.865
165 HD13 LEU 18 3HD1 LEU 18 8.405 0.449 -24.860
166 HD21 LEU 18 3HD2 LEU 18 8.604 2.423 -21.486
167 HD22 LEU 18 1HD2 LEU 18 8.829 0.765 -22.044
168 HD23 LEU 18 2HD2 LEU 18 7.203 1.384 -21.753
169 H ALA 19 H ALA 19 7.149 4.700 -25.019
170 HA ALA 19 HA ALA 19 5.943 2.992 -26.943
171 HB1 ALA 19 1HB ALA 19 4.696 4.107 -25.126
172 HB2 ALA 19 2HB ALA 19 4.951 5.654 -25.934
173 HB3 ALA 19 3HB ALA 19 3.994 4.397 -26.718
174 H ARG 20 H ARG 20 7.348 6.221 -27.075
175 HA ARG 20 HA ARG 20 6.484 6.815 -29.717
176 HB2 ARG 20 2HB ARG 20 8.719 7.953 -28.032
177 HB3 ARG 20 3HB ARG 20 8.257 8.592 -29.604
178 HG2 ARG 20 2HG ARG 20 6.233 8.327 -27.420
179 HG3 ARG 20 3HG ARG 20 7.335 9.705 -27.471
180 HD2 ARG 20 2HD ARG 20 6.475 9.661 -30.032
181 HD3 ARG 20 3HD ARG 20 5.050 9.034 -29.204
182 HE ARG 20 HE ARG 20 5.693 11.218 -27.749
183 HH11 ARG 20 1HH1 ARG 20 5.192 10.678 -31.151
184 HH12 ARG 20 2HH1 ARG 20 4.608 12.281 -31.453
185 HH21 ARG 20 2HH2 ARG 20 4.457 13.790 -29.735
186 HH22 ARG 20 1HH2 ARG 20 4.925 13.331 -28.133
187 H ARG 21 H ARG 21 6.997 5.085 -31.053
188 HA ARG 21 HA ARG 21 9.852 4.486 -31.404
189 HB2 ARG 21 2HB ARG 21 9.046 2.487 -32.659
190 HB3 ARG 21 3HB ARG 21 8.544 2.516 -30.974
191 HG2 ARG 21 2HG ARG 21 6.433 2.297 -31.587
192 HG3 ARG 21 3HG ARG 21 6.533 3.796 -32.514
193 HD2 ARG 21 2HD ARG 21 5.898 2.224 -34.105
194 HD3 ARG 21 3HD ARG 21 7.643 2.347 -34.328
195 HE ARG 21 HE ARG 21 7.808 0.152 -33.745
196 HH11 ARG 21 1HH1 ARG 21 4.802 1.400 -32.510
197 HH12 ARG 21 2HH1 ARG 21 4.254 -0.136 -31.926
198 HH21 ARG 21 2HH2 ARG 21 5.561 -1.999 -32.193
199 HH22 ARG 21 1HH2 ARG 21 7.097 -1.876 -32.981
200 H ASN 22 H ASN 22 8.463 6.875 -32.442
201 HA ASN 22 HA ASN 22 8.513 6.397 -35.330
202 HB2 ASN 22 2HB ASN 22 6.632 7.685 -34.112
203 HB3 ASN 22 3HB ASN 22 7.792 9.006 -34.016
204 HD21 ASN 22 2HD2 ASN 22 6.812 10.146 -37.111
205 HD22 ASN 22 1HD2 ASN 22 7.207 10.460 -35.458
206 H ALA 23 H ALA 23 10.112 8.236 -32.796
207 HA ALA 23 HA ALA 23 12.040 9.257 -34.769
208 HB1 ALA 23 1HB ALA 23 12.357 10.329 -32.102
209 HB2 ALA 23 2HB ALA 23 12.081 11.168 -33.630
210 HB3 ALA 23 3HB ALA 23 10.713 10.553 -32.702
211 H GLY 24 H GLY 24 11.686 7.271 -31.923
212 HA2 GLY 24 2HA GLY 24 14.595 6.911 -31.744
213 HA3 GLY 24 3HA GLY 24 13.419 6.400 -30.541
214 H ALA 25 H ALA 25 13.002 5.778 -33.955
215 HA ALA 25 HA ALA 25 13.415 2.910 -33.412
216 HB1 ALA 25 1HB ALA 25 11.151 3.157 -33.928
217 HB2 ALA 25 2HB ALA 25 11.475 4.330 -35.205
218 HB3 ALA 25 3HB ALA 25 11.881 2.630 -35.445
219 H THR 26 H THR 26 15.699 4.125 -33.942
220 HA THR 26 HA THR 26 16.340 4.462 -36.681
221 HB THR 26 HB THR 26 17.699 5.450 -34.881
222 HG1 THR 26 HG1 THR 26 19.428 3.663 -36.201
223 HG21 THR 26 3HG2 THR 26 19.102 2.895 -34.362
224 HG22 THR 26 1HG2 THR 26 17.525 3.100 -33.602
225 HG23 THR 26 2HG2 THR 26 18.812 4.265 -33.292
226 H LEU 27 H LEU 27 16.264 1.699 -34.554
227 HA LEU 27 HA LEU 27 17.893 -0.067 -35.981
228 HB2 LEU 27 2HB LEU 27 16.467 -1.850 -34.917
229 HB3 LEU 27 3HB LEU 27 17.222 -0.699 -33.817
230 HG LEU 27 HG LEU 27 14.610 0.242 -34.486
231 HD11 LEU 27 1HD1 LEU 27 14.098 -2.087 -35.026
232 HD12 LEU 27 2HD1 LEU 27 13.257 -1.559 -33.569
233 HD13 LEU 27 3HD1 LEU 27 14.686 -2.585 -33.440
234 HD21 LEU 27 3HD2 LEU 27 15.707 -0.883 -31.912
235 HD22 LEU 27 1HD2 LEU 27 14.315 0.187 -32.089
236 HD23 LEU 27 2HD2 LEU 27 15.933 0.775 -32.473
237 H ARG 28 H ARG 28 14.605 0.974 -36.524
238 HA ARG 28 HA ARG 28 13.949 -1.073 -38.407
239 HB2 ARG 28 2HB ARG 28 12.216 0.136 -37.161
240 HB3 ARG 28 3HB ARG 28 12.687 1.636 -37.948
241 HG2 ARG 28 2HG ARG 28 11.257 1.214 -39.579
242 HG3 ARG 28 3HG ARG 28 12.160 -0.247 -39.985
243 HD2 ARG 28 2HD ARG 28 10.006 -1.033 -39.583
244 HD3 ARG 28 3HD ARG 28 10.848 -1.341 -38.065
245 HE ARG 28 HE ARG 28 9.488 0.190 -37.031
246 HH11 ARG 28 1HH1 ARG 28 9.169 0.499 -40.484
247 HH12 ARG 28 2HH1 ARG 28 7.819 1.581 -40.394
248 HH21 ARG 28 2HH2 ARG 28 6.991 2.216 -38.354
249 HH22 ARG 28 1HH2 ARG 28 7.711 1.614 -36.899
Start of MODEL 17
1 H1 LYS 1 H LYS 1 1.991 -3.437 -5.591
2 HA LYS 1 HA LYS 1 4.245 -3.271 -7.483
3 HB2 LYS 1 2HB LYS 1 1.307 -2.785 -7.861
4 HB3 LYS 1 3HB LYS 1 2.478 -1.981 -8.899
5 HG2 LYS 1 2HG LYS 1 3.033 -3.887 -9.988
6 HG3 LYS 1 3HG LYS 1 2.769 -4.906 -8.570
7 HD2 LYS 1 2HD LYS 1 0.949 -5.548 -9.762
8 HD3 LYS 1 3HD LYS 1 0.249 -4.115 -9.006
9 HE2 LYS 1 2HE LYS 1 -0.214 -3.400 -11.065
10 HE3 LYS 1 3HE LYS 1 1.517 -3.133 -11.264
11 HZ1 LYS 1 3HZ LYS 1 -0.040 -5.526 -12.062
12 HZ2 LYS 1 1HZ LYS 1 1.652 -5.486 -12.043
13 HZ3 LYS 1 2HZ LYS 1 0.793 -4.453 -13.070
14 H TYR 2 H TYR 2 4.021 -2.060 -4.829
15 HA TYR 2 HA TYR 2 3.484 0.739 -5.230
16 HB2 TYR 2 2HB TYR 2 3.217 -0.588 -3.046
17 HB3 TYR 2 3HB TYR 2 4.964 -0.442 -2.887
18 HD1 TYR 2 HD1 TYR 2 2.165 1.868 -3.816
19 HD2 TYR 2 HD2 TYR 2 5.604 1.192 -1.403
20 HE1 TYR 2 HE1 TYR 2 1.880 4.088 -2.797
21 HE2 TYR 2 HE2 TYR 2 5.327 3.410 -0.377
22 HH TYR 2 HH TYR 2 3.697 5.801 -1.580
23 H GLU 3 H GLU 3 6.159 -1.345 -5.658
24 HA GLU 3 HA GLU 3 8.181 0.693 -5.367
25 HB2 GLU 3 2HB GLU 3 8.436 -2.050 -6.607
26 HB3 GLU 3 3HB GLU 3 9.748 -1.016 -6.058
27 HG2 GLU 3 2HG GLU 3 8.616 -1.177 -3.752
28 HG3 GLU 3 3HG GLU 3 7.764 -2.558 -4.440
29 H ILE 4 H ILE 4 6.431 -0.871 -7.986
30 HA ILE 4 HA ILE 4 7.975 0.431 -10.045
31 HB ILE 4 HB ILE 4 6.923 -1.806 -10.371
32 HG12 ILE 4 2HG1 ILE 4 6.021 0.358 -12.285
33 HG13 ILE 4 3HG1 ILE 4 7.599 -0.421 -12.286
34 HG21 ILE 4 1HG2 ILE 4 4.554 -1.986 -10.791
35 HG22 ILE 4 2HG2 ILE 4 4.814 -1.295 -9.190
36 HG23 ILE 4 3HG2 ILE 4 4.344 -0.254 -10.534
37 HD11 ILE 4 3HD1 ILE 4 6.039 -2.583 -12.494
38 HD12 ILE 4 1HD1 ILE 4 5.002 -1.391 -13.278
39 HD13 ILE 4 2HD1 ILE 4 6.634 -1.676 -13.883
40 H THR 5 H THR 5 5.046 1.039 -8.276
41 HA THR 5 HA THR 5 4.015 3.008 -10.093
42 HB THR 5 HB THR 5 2.662 1.629 -8.401
43 HG1 THR 5 HG1 THR 5 1.162 3.090 -8.760
44 HG21 THR 5 3HG2 THR 5 3.194 3.874 -6.502
45 HG22 THR 5 1HG2 THR 5 4.277 2.482 -6.522
46 HG23 THR 5 2HG2 THR 5 2.560 2.260 -6.182
47 H THR 6 H THR 6 6.108 3.001 -7.300
48 HA THR 6 HA THR 6 6.009 5.861 -6.936
49 HB THR 6 HB THR 6 6.415 4.386 -5.013
50 HG1 THR 6 HG1 THR 6 7.249 6.403 -4.715
51 HG21 THR 6 3HG2 THR 6 9.061 3.784 -6.338
52 HG22 THR 6 1HG2 THR 6 7.715 2.654 -6.194
53 HG23 THR 6 2HG2 THR 6 8.540 3.232 -4.747
54 H ILE 7 H ILE 7 8.124 3.525 -8.491
55 HA ILE 7 HA ILE 7 10.231 5.385 -9.021
56 HB ILE 7 HB ILE 7 10.498 2.877 -8.916
57 HG12 ILE 7 2HG1 ILE 7 11.499 4.288 -11.399
58 HG13 ILE 7 3HG1 ILE 7 12.248 4.349 -9.808
59 HG21 ILE 7 1HG2 ILE 7 8.542 2.313 -10.288
60 HG22 ILE 7 2HG2 ILE 7 9.339 3.013 -11.696
61 HG23 ILE 7 3HG2 ILE 7 10.020 1.585 -10.917
62 HD11 ILE 7 3HD1 ILE 7 12.036 1.641 -10.390
63 HD12 ILE 7 1HD1 ILE 7 12.536 2.399 -11.902
64 HD13 ILE 7 2HD1 ILE 7 13.493 2.634 -10.439
65 H HIS 8 H HIS 8 7.339 4.353 -10.689
66 HA HIS 8 HA HIS 8 8.071 5.589 -13.188
67 HB2 HIS 8 2HB HIS 8 5.741 4.071 -12.144
68 HB3 HIS 8 3HB HIS 8 5.433 5.182 -13.475
69 HD1 HIS 8 HD1 HIS 8 8.750 3.575 -13.509
70 HD2 HIS 8 HD2 HIS 8 4.968 2.843 -15.066
71 HE1 HIS 8 HE1 HIS 8 9.080 1.820 -15.279
72 H ASN 9 H ASN 9 6.443 6.518 -10.278
73 HA ASN 9 HA ASN 9 5.109 8.798 -11.414
74 HB2 ASN 9 2HB ASN 9 4.135 7.743 -9.468
75 HB3 ASN 9 3HB ASN 9 5.618 7.978 -8.547
76 HD21 ASN 9 2HD2 ASN 9 4.956 11.285 -7.684
77 HD22 ASN 9 1HD2 ASN 9 6.115 10.005 -7.749
78 H LEU 10 H LEU 10 8.219 8.126 -10.065
79 HA LEU 10 HA LEU 10 8.877 10.874 -9.508
80 HB2 LEU 10 2HB LEU 10 10.103 9.540 -8.135
81 HB3 LEU 10 3HB LEU 10 10.242 8.253 -9.330
82 HG LEU 10 HG LEU 10 11.974 9.544 -10.501
83 HD11 LEU 10 1HD1 LEU 10 12.614 11.406 -8.426
84 HD12 LEU 10 2HD1 LEU 10 10.962 11.678 -8.977
85 HD13 LEU 10 3HD1 LEU 10 12.292 11.706 -10.134
86 HD21 LEU 10 3HD2 LEU 10 12.610 7.906 -8.802
87 HD22 LEU 10 1HD2 LEU 10 12.522 9.156 -7.560
88 HD23 LEU 10 2HD2 LEU 10 13.735 9.265 -8.836
89 H ALA 11 H ALA 11 9.451 8.562 -12.098
90 HA ALA 11 HA ALA 11 10.719 10.714 -13.664
91 HB1 ALA 11 1HB ALA 11 12.311 8.985 -13.367
92 HB2 ALA 11 2HB ALA 11 11.132 7.735 -13.767
93 HB3 ALA 11 3HB ALA 11 11.710 8.836 -15.018
94 H ARG 12 H ARG 12 7.990 10.703 -13.556
95 HA ARG 12 HA ARG 12 6.621 9.164 -15.426
96 HB2 ARG 12 2HB ARG 12 4.936 10.940 -15.426
97 HB3 ARG 12 3HB ARG 12 5.495 10.599 -13.794
98 HG2 ARG 12 2HG ARG 12 7.180 12.604 -14.566
99 HG3 ARG 12 3HG ARG 12 5.672 13.048 -15.367
100 HD2 ARG 12 2HD ARG 12 5.614 12.216 -12.503
101 HD3 ARG 12 3HD ARG 12 6.177 13.835 -12.915
102 HE ARG 12 HE ARG 12 3.741 13.351 -14.224
103 HH11 ARG 12 1HH1 ARG 12 5.009 13.863 -11.023
104 HH12 ARG 12 2HH1 ARG 12 3.545 14.559 -10.413
105 HH21 ARG 12 2HH2 ARG 12 1.724 14.786 -11.784
106 HH22 ARG 12 1HH2 ARG 12 1.807 14.265 -13.433
107 H LYS 13 H LYS 13 8.808 11.802 -15.878
108 HA LYS 13 HA LYS 13 8.019 12.708 -18.407
109 HB2 LYS 13 2HB LYS 13 9.672 13.854 -16.969
110 HB3 LYS 13 3HB LYS 13 10.820 12.558 -17.275
111 HG2 LYS 13 2HG LYS 13 10.201 13.283 -19.804
112 HG3 LYS 13 3HG LYS 13 10.034 14.826 -18.963
113 HD2 LYS 13 2HD LYS 13 12.426 13.252 -18.269
114 HD3 LYS 13 3HD LYS 13 12.373 13.866 -19.924
115 HE2 LYS 13 2HE LYS 13 11.628 16.081 -18.647
116 HE3 LYS 13 3HE LYS 13 12.555 15.330 -17.349
117 HZ1 LYS 13 3HZ LYS 13 13.515 16.061 -20.057
118 HZ2 LYS 13 1HZ LYS 13 14.404 15.098 -18.987
119 HZ3 LYS 13 2HZ LYS 13 14.028 16.695 -18.575
120 H LEU 14 H LEU 14 9.876 9.910 -17.426
121 HA LEU 14 HA LEU 14 10.915 9.264 -19.987
122 HB2 LEU 14 2HB LEU 14 11.688 7.297 -19.032
123 HB3 LEU 14 3HB LEU 14 11.664 8.431 -17.683
124 HG LEU 14 HG LEU 14 9.261 7.322 -17.330
125 HD11 LEU 14 1HD1 LEU 14 10.025 4.751 -17.698
126 HD12 LEU 14 2HD1 LEU 14 10.714 5.514 -19.130
127 HD13 LEU 14 3HD1 LEU 14 8.987 5.651 -18.804
128 HD21 LEU 14 3HD2 LEU 14 10.250 6.780 -15.419
129 HD22 LEU 14 1HD2 LEU 14 11.811 7.145 -16.153
130 HD23 LEU 14 2HD2 LEU 14 11.170 5.503 -16.218
131 H THR 15 H THR 15 7.844 8.820 -18.483
132 HA THR 15 HA THR 15 6.964 6.668 -20.163
133 HB THR 15 HB THR 15 5.789 8.308 -18.018
134 HG1 THR 15 HG1 THR 15 6.423 6.123 -17.738
135 HG21 THR 15 3HG2 THR 15 4.105 7.256 -20.288
136 HG22 THR 15 1HG2 THR 15 4.172 8.905 -19.668
137 HG23 THR 15 2HG2 THR 15 3.459 7.623 -18.689
138 H HIS 16 H HIS 16 6.943 10.146 -20.325
139 HA HIS 16 HA HIS 16 5.010 10.272 -22.460
140 HB2 HIS 16 2HB HIS 16 5.696 12.080 -20.639
141 HB3 HIS 16 3HB HIS 16 6.856 12.544 -21.881
142 HD1 HIS 16 HD1 HIS 16 4.774 14.575 -21.192
143 HD2 HIS 16 HD2 HIS 16 4.169 11.664 -24.094
144 HE1 HIS 16 HE1 HIS 16 2.973 15.485 -22.692
145 H ARG 17 H ARG 17 8.520 10.425 -22.140
146 HA ARG 17 HA ARG 17 9.133 11.162 -24.774
147 HB2 ARG 17 2HB ARG 17 10.587 10.685 -22.517
148 HB3 ARG 17 3HB ARG 17 11.001 9.281 -23.493
149 HG2 ARG 17 2HG ARG 17 11.973 10.573 -25.165
150 HG3 ARG 17 3HG ARG 17 11.158 12.044 -24.630
151 HD2 ARG 17 2HD ARG 17 12.555 11.492 -22.415
152 HD3 ARG 17 3HD ARG 17 13.616 10.748 -23.611
153 HE ARG 17 HE ARG 17 13.188 13.550 -23.187
154 HH11 ARG 17 1HH1 ARG 17 14.072 11.134 -25.533
155 HH12 ARG 17 2HH1 ARG 17 14.969 12.237 -26.523
156 HH21 ARG 17 2HH2 ARG 17 15.137 14.442 -25.924
157 HH22 ARG 17 1HH2 ARG 17 14.366 15.011 -24.482
158 H LEU 18 H LEU 18 8.668 7.977 -23.299
159 HA LEU 18 HA LEU 18 9.240 6.561 -25.730
160 HB2 LEU 18 2HB LEU 18 7.830 5.523 -23.282
161 HB3 LEU 18 3HB LEU 18 8.654 4.582 -24.523
162 HG LEU 18 HG LEU 18 10.190 6.539 -22.860
163 HD11 LEU 18 1HD1 LEU 18 8.983 5.225 -21.232
164 HD12 LEU 18 2HD1 LEU 18 10.672 4.719 -21.271
165 HD13 LEU 18 3HD1 LEU 18 9.439 3.733 -22.056
166 HD21 LEU 18 3HD2 LEU 18 11.964 4.814 -23.257
167 HD22 LEU 18 1HD2 LEU 18 11.372 5.619 -24.711
168 HD23 LEU 18 2HD2 LEU 18 10.829 3.986 -24.325
169 H ALA 19 H ALA 19 6.383 7.758 -24.104
170 HA ALA 19 HA ALA 19 4.430 6.301 -25.491
171 HB1 ALA 19 1HB ALA 19 3.668 7.433 -23.606
172 HB2 ALA 19 2HB ALA 19 4.408 8.956 -24.102
173 HB3 ALA 19 3HB ALA 19 2.980 8.353 -24.944
174 H ARG 20 H ARG 20 6.312 9.096 -26.390
175 HA ARG 20 HA ARG 20 4.703 9.514 -28.795
176 HB2 ARG 20 2HB ARG 20 6.576 11.136 -27.212
177 HB3 ARG 20 3HB ARG 20 6.749 11.322 -28.952
178 HG2 ARG 20 2HG ARG 20 4.910 12.557 -29.091
179 HG3 ARG 20 3HG ARG 20 3.974 11.401 -28.141
180 HD2 ARG 20 2HD ARG 20 4.762 12.364 -26.088
181 HD3 ARG 20 3HD ARG 20 5.884 13.409 -26.958
182 HE ARG 20 HE ARG 20 3.080 13.849 -26.541
183 HH11 ARG 20 1HH1 ARG 20 5.794 14.531 -28.611
184 HH12 ARG 20 2HH1 ARG 20 5.122 16.005 -29.226
185 HH21 ARG 20 2HH2 ARG 20 3.068 16.718 -28.503
186 HH22 ARG 20 1HH2 ARG 20 2.183 15.787 -27.343
187 H ARG 21 H ARG 21 8.023 8.731 -27.829
188 HA ARG 21 HA ARG 21 8.710 8.142 -30.608
189 HB2 ARG 21 2HB ARG 21 10.168 9.405 -28.769
190 HB3 ARG 21 3HB ARG 21 10.662 7.760 -28.392
191 HG2 ARG 21 2HG ARG 21 10.959 9.198 -31.017
192 HG3 ARG 21 3HG ARG 21 12.241 8.686 -29.916
193 HD2 ARG 21 2HD ARG 21 11.151 6.315 -30.310
194 HD3 ARG 21 3HD ARG 21 10.587 7.078 -31.797
195 HE ARG 21 HE ARG 21 13.268 6.272 -31.176
196 HH11 ARG 21 1HH1 ARG 21 11.320 8.477 -33.038
197 HH12 ARG 21 2HH1 ARG 21 12.527 8.719 -34.257
198 HH21 ARG 21 2HH2 ARG 21 14.542 7.640 -34.107
199 HH22 ARG 21 1HH2 ARG 21 14.865 6.582 -32.775
200 H ASN 22 H ASN 22 7.254 6.281 -30.649
201 HA ASN 22 HA ASN 22 8.313 3.940 -29.217
202 HB2 ASN 22 2HB ASN 22 5.736 4.826 -29.323
203 HB3 ASN 22 3HB ASN 22 5.749 3.663 -30.646
204 HD21 ASN 22 2HD2 ASN 22 5.443 0.956 -28.551
205 HD22 ASN 22 1HD2 ASN 22 5.247 1.675 -30.110
206 H ALA 23 H ALA 23 9.387 5.160 -31.702
207 HA ALA 23 HA ALA 23 8.716 3.395 -33.860
208 HB1 ALA 23 1HB ALA 23 11.113 4.527 -34.556
209 HB2 ALA 23 2HB ALA 23 9.521 5.210 -34.886
210 HB3 ALA 23 3HB ALA 23 10.423 5.727 -33.462
211 H GLY 24 H GLY 24 11.124 3.471 -31.327
212 HA2 GLY 24 2HA GLY 24 12.424 1.098 -32.497
213 HA3 GLY 24 3HA GLY 24 13.162 2.174 -31.320
214 H ALA 25 H ALA 25 9.865 1.194 -30.903
215 HA ALA 25 HA ALA 25 10.675 -0.364 -28.552
216 HB1 ALA 25 1HB ALA 25 8.860 0.414 -27.489
217 HB2 ALA 25 2HB ALA 25 8.850 1.640 -28.757
218 HB3 ALA 25 3HB ALA 25 7.822 0.214 -28.902
219 H THR 26 H THR 26 10.749 -1.399 -31.305
220 HA THR 26 HA THR 26 8.577 -3.351 -31.339
221 HB THR 26 HB THR 26 9.187 -2.211 -33.452
222 HG1 THR 26 HG1 THR 26 9.814 -4.985 -33.571
223 HG21 THR 26 3HG2 THR 26 11.261 -2.227 -34.365
224 HG22 THR 26 1HG2 THR 26 11.622 -3.851 -33.781
225 HG23 THR 26 2HG2 THR 26 11.758 -2.471 -32.691
226 H LEU 27 H LEU 27 11.954 -3.096 -30.611
227 HA LEU 27 HA LEU 27 12.749 -5.762 -30.902
228 HB2 LEU 27 2HB LEU 27 13.694 -3.765 -28.852
229 HB3 LEU 27 3HB LEU 27 14.543 -5.228 -29.346
230 HG LEU 27 HG LEU 27 13.964 -2.905 -31.180
231 HD11 LEU 27 1HD1 LEU 27 15.468 -1.965 -29.709
232 HD12 LEU 27 2HD1 LEU 27 16.540 -2.674 -30.916
233 HD13 LEU 27 3HD1 LEU 27 16.272 -3.500 -29.381
234 HD21 LEU 27 3HD2 LEU 27 16.152 -4.783 -31.734
235 HD22 LEU 27 1HD2 LEU 27 14.961 -4.069 -32.822
236 HD23 LEU 27 2HD2 LEU 27 14.532 -5.473 -31.844
237 H ARG 28 H ARG 28 10.814 -4.208 -28.484
238 HA ARG 28 HA ARG 28 11.108 -6.213 -26.472
239 HB2 ARG 28 2HB ARG 28 9.228 -5.100 -25.374
240 HB3 ARG 28 3HB ARG 28 10.417 -3.926 -25.922
241 HG2 ARG 28 2HG ARG 28 8.882 -2.857 -27.102
242 HG3 ARG 28 3HG ARG 28 8.463 -4.335 -27.971
243 HD2 ARG 28 2HD ARG 28 6.738 -4.847 -26.544
244 HD3 ARG 28 3HD ARG 28 7.454 -3.969 -25.193
245 HE ARG 28 HE ARG 28 5.636 -2.939 -27.134
246 HH11 ARG 28 1HH1 ARG 28 8.308 -2.093 -25.068
247 HH12 ARG 28 2HH1 ARG 28 7.866 -0.421 -24.963
248 HH21 ARG 28 2HH2 ARG 28 6.009 0.347 -26.063
249 HH22 ARG 28 1HH2 ARG 28 5.044 -0.740 -27.003
Start of MODEL 18
1 H1 LYS 1 H LYS 1 2.671 -2.704 -0.895
2 HA LYS 1 HA LYS 1 4.914 -1.771 -1.391
3 HB2 LYS 1 2HB LYS 1 5.430 -4.191 -2.342
4 HB3 LYS 1 3HB LYS 1 4.938 -3.450 -3.859
5 HG2 LYS 1 2HG LYS 1 6.877 -2.391 -4.068
6 HG3 LYS 1 3HG LYS 1 6.798 -1.773 -2.417
7 HD2 LYS 1 2HD LYS 1 7.611 -3.970 -1.606
8 HD3 LYS 1 3HD LYS 1 7.787 -4.489 -3.284
9 HE2 LYS 1 2HE LYS 1 9.184 -2.119 -2.047
10 HE3 LYS 1 3HE LYS 1 9.908 -3.709 -2.280
11 HZ1 LYS 1 3HZ LYS 1 10.598 -2.458 -4.105
12 HZ2 LYS 1 1HZ LYS 1 9.077 -1.755 -4.336
13 HZ3 LYS 1 2HZ LYS 1 9.322 -3.385 -4.714
14 H TYR 2 H TYR 2 2.416 -0.797 -1.659
15 HA TYR 2 HA TYR 2 1.531 -0.278 -4.272
16 HB2 TYR 2 2HB TYR 2 0.779 0.463 -1.632
17 HB3 TYR 2 3HB TYR 2 0.898 1.939 -2.584
18 HD1 TYR 2 HD1 TYR 2 -0.344 -1.534 -3.230
19 HD2 TYR 2 HD2 TYR 2 -1.141 2.643 -3.380
20 HE1 TYR 2 HE1 TYR 2 -2.552 -1.997 -4.211
21 HE2 TYR 2 HE2 TYR 2 -3.352 2.192 -4.360
22 HH TYR 2 HH TYR 2 -5.002 0.215 -4.348
23 H GLU 3 H GLU 3 4.186 0.960 -2.510
24 HA GLU 3 HA GLU 3 4.449 3.520 -3.622
25 HB2 GLU 3 2HB GLU 3 6.882 3.256 -3.066
26 HB3 GLU 3 3HB GLU 3 5.785 2.937 -1.730
27 HG2 GLU 3 2HG GLU 3 6.362 0.770 -1.593
28 HG3 GLU 3 3HG GLU 3 6.536 0.594 -3.338
29 H ILE 4 H ILE 4 4.824 0.434 -5.025
30 HA ILE 4 HA ILE 4 6.760 0.942 -6.992
31 HB ILE 4 HB ILE 4 5.784 -1.309 -6.386
32 HG12 ILE 4 2HG1 ILE 4 5.896 -0.549 -9.313
33 HG13 ILE 4 3HG1 ILE 4 7.267 -1.011 -8.310
34 HG21 ILE 4 1HG2 ILE 4 3.709 -1.003 -8.455
35 HG22 ILE 4 2HG2 ILE 4 3.694 -1.934 -6.958
36 HG23 ILE 4 3HG2 ILE 4 3.391 -0.197 -6.919
37 HD11 ILE 4 3HD1 ILE 4 5.325 -2.663 -9.702
38 HD12 ILE 4 1HD1 ILE 4 6.940 -3.056 -9.114
39 HD13 ILE 4 2HD1 ILE 4 5.560 -3.134 -8.019
40 H THR 5 H THR 5 3.549 2.073 -6.660
41 HA THR 5 HA THR 5 3.125 2.602 -9.466
42 HB THR 5 HB THR 5 1.267 2.131 -7.805
43 HG1 THR 5 HG1 THR 5 -0.116 3.514 -8.914
44 HG21 THR 5 3HG2 THR 5 2.339 3.911 -6.194
45 HG22 THR 5 1HG2 THR 5 0.591 3.691 -6.253
46 HG23 THR 5 2HG2 THR 5 1.339 5.034 -7.117
47 H THR 6 H THR 6 4.158 4.380 -6.616
48 HA THR 6 HA THR 6 4.164 6.925 -7.981
49 HB THR 6 HB THR 6 3.703 6.841 -5.574
50 HG1 THR 6 HG1 THR 6 5.089 8.578 -6.745
51 HG21 THR 6 3HG2 THR 6 4.990 5.037 -4.775
52 HG22 THR 6 1HG2 THR 6 5.726 6.470 -4.060
53 HG23 THR 6 2HG2 THR 6 6.481 5.692 -5.451
54 H ILE 7 H ILE 7 6.395 4.342 -7.377
55 HA ILE 7 HA ILE 7 8.762 5.883 -7.919
56 HB ILE 7 HB ILE 7 8.675 3.776 -6.504
57 HG12 ILE 7 2HG1 ILE 7 10.685 3.911 -8.763
58 HG13 ILE 7 3HG1 ILE 7 10.781 4.795 -7.243
59 HG21 ILE 7 1HG2 ILE 7 7.329 2.468 -8.125
60 HG22 ILE 7 2HG2 ILE 7 8.732 2.415 -9.192
61 HG23 ILE 7 3HG2 ILE 7 8.799 1.643 -7.608
62 HD11 ILE 7 3HD1 ILE 7 10.522 2.155 -6.467
63 HD12 ILE 7 1HD1 ILE 7 11.589 2.094 -7.870
64 HD13 ILE 7 2HD1 ILE 7 12.004 3.110 -6.489
65 H HIS 8 H HIS 8 6.548 3.886 -9.749
66 HA HIS 8 HA HIS 8 8.229 3.786 -12.088
67 HB2 HIS 8 2HB HIS 8 6.361 2.113 -11.294
68 HB3 HIS 8 3HB HIS 8 5.293 3.205 -12.171
69 HD1 HIS 8 HD1 HIS 8 8.747 1.956 -13.157
70 HD2 HIS 8 HD2 HIS 8 4.810 1.875 -14.482
71 HE1 HIS 8 HE1 HIS 8 8.817 0.831 -15.405
72 H ASN 9 H ASN 9 5.832 5.900 -10.792
73 HA ASN 9 HA ASN 9 5.180 7.160 -13.299
74 HB2 ASN 9 2HB ASN 9 3.621 7.025 -11.317
75 HB3 ASN 9 3HB ASN 9 4.648 8.210 -10.515
76 HD21 ASN 9 2HD2 ASN 9 2.596 9.412 -13.851
77 HD22 ASN 9 1HD2 ASN 9 3.253 7.817 -13.758
78 H LEU 10 H LEU 10 7.401 7.710 -10.649
79 HA LEU 10 HA LEU 10 8.114 10.362 -11.188
80 HB2 LEU 10 2HB LEU 10 9.852 10.065 -9.712
81 HB3 LEU 10 3HB LEU 10 8.724 8.807 -9.209
82 HG LEU 10 HG LEU 10 10.216 7.355 -10.868
83 HD11 LEU 10 1HD1 LEU 10 12.631 8.287 -10.061
84 HD12 LEU 10 2HD1 LEU 10 11.766 9.794 -10.364
85 HD13 LEU 10 3HD1 LEU 10 11.918 8.591 -11.645
86 HD21 LEU 10 3HD2 LEU 10 10.804 6.297 -8.987
87 HD22 LEU 10 1HD2 LEU 10 9.858 7.535 -8.160
88 HD23 LEU 10 2HD2 LEU 10 11.604 7.724 -8.325
89 H ALA 11 H ALA 11 8.988 7.387 -12.753
90 HA ALA 11 HA ALA 11 10.910 8.837 -14.450
91 HB1 ALA 11 1HB ALA 11 10.791 5.877 -14.525
92 HB2 ALA 11 2HB ALA 11 12.177 6.961 -14.645
93 HB3 ALA 11 3HB ALA 11 11.452 6.627 -13.072
94 H ARG 12 H ARG 12 8.351 9.361 -15.073
95 HA ARG 12 HA ARG 12 7.470 7.506 -17.137
96 HB2 ARG 12 2HB ARG 12 5.452 8.759 -17.218
97 HB3 ARG 12 3HB ARG 12 5.880 8.616 -15.518
98 HG2 ARG 12 2HG ARG 12 7.086 10.953 -16.139
99 HG3 ARG 12 3HG ARG 12 5.700 10.992 -17.231
100 HD2 ARG 12 2HD ARG 12 4.509 10.170 -14.950
101 HD3 ARG 12 3HD ARG 12 5.810 11.161 -14.291
102 HE ARG 12 HE ARG 12 3.474 12.077 -15.662
103 HH11 ARG 12 1HH1 ARG 12 6.815 12.792 -14.991
104 HH12 ARG 12 2HH1 ARG 12 6.630 14.500 -15.215
105 HH21 ARG 12 2HH2 ARG 12 4.583 15.371 -15.765
106 HH22 ARG 12 1HH2 ARG 12 3.218 14.324 -15.959
107 H LYS 13 H LYS 13 9.107 10.540 -16.811
108 HA LYS 13 HA LYS 13 8.660 11.640 -19.347
109 HB2 LYS 13 2HB LYS 13 10.843 12.826 -18.955
110 HB3 LYS 13 3HB LYS 13 9.664 12.999 -17.661
111 HG2 LYS 13 2HG LYS 13 11.222 10.732 -17.049
112 HG3 LYS 13 3HG LYS 13 12.334 12.011 -17.541
113 HD2 LYS 13 2HD LYS 13 11.146 13.535 -15.946
114 HD3 LYS 13 3HD LYS 13 10.245 12.131 -15.370
115 HE2 LYS 13 2HE LYS 13 12.429 11.044 -14.842
116 HE3 LYS 13 3HE LYS 13 13.227 12.561 -15.254
117 HZ1 LYS 13 3HZ LYS 13 11.157 13.103 -13.444
118 HZ2 LYS 13 1HZ LYS 13 12.824 13.290 -13.220
119 HZ3 LYS 13 2HZ LYS 13 12.076 11.828 -12.818
120 H LEU 14 H LEU 14 10.844 9.130 -18.263
121 HA LEU 14 HA LEU 14 12.484 9.068 -20.577
122 HB2 LEU 14 2HB LEU 14 13.383 7.068 -19.716
123 HB3 LEU 14 3HB LEU 14 13.020 8.087 -18.325
124 HG LEU 14 HG LEU 14 10.771 6.658 -18.369
125 HD11 LEU 14 1HD1 LEU 14 10.840 4.979 -19.820
126 HD12 LEU 14 2HD1 LEU 14 12.101 4.260 -18.819
127 HD13 LEU 14 3HD1 LEU 14 12.538 5.280 -20.190
128 HD21 LEU 14 3HD2 LEU 14 11.621 5.466 -16.554
129 HD22 LEU 14 1HD2 LEU 14 12.611 6.925 -16.597
130 HD23 LEU 14 2HD2 LEU 14 13.249 5.408 -17.232
131 H THR 15 H THR 15 9.459 7.527 -19.699
132 HA THR 15 HA THR 15 9.414 5.681 -21.869
133 HB THR 15 HB THR 15 7.903 6.012 -19.588
134 HG1 THR 15 HG1 THR 15 6.948 4.122 -20.294
135 HG21 THR 15 3HG2 THR 15 6.071 6.479 -21.939
136 HG22 THR 15 1HG2 THR 15 6.570 7.744 -20.816
137 HG23 THR 15 2HG2 THR 15 5.625 6.372 -20.236
138 H HIS 16 H HIS 16 8.504 9.011 -21.479
139 HA HIS 16 HA HIS 16 6.873 9.116 -23.849
140 HB2 HIS 16 2HB HIS 16 7.382 10.809 -21.623
141 HB3 HIS 16 3HB HIS 16 7.788 11.712 -23.079
142 HD1 HIS 16 HD1 HIS 16 5.764 11.577 -24.983
143 HD2 HIS 16 HD2 HIS 16 4.757 10.940 -21.003
144 HE1 HIS 16 HE1 HIS 16 3.282 11.954 -24.850
145 H ARG 17 H ARG 17 10.210 9.760 -23.003
146 HA ARG 17 HA ARG 17 10.884 11.102 -25.426
147 HB2 ARG 17 2HB ARG 17 12.567 9.753 -23.314
148 HB3 ARG 17 3HB ARG 17 13.250 10.595 -24.699
149 HG2 ARG 17 2HG ARG 17 12.275 12.675 -23.975
150 HG3 ARG 17 3HG ARG 17 11.443 11.858 -22.650
151 HD2 ARG 17 2HD ARG 17 13.481 11.389 -21.539
152 HD3 ARG 17 3HD ARG 17 14.435 11.837 -22.953
153 HE ARG 17 HE ARG 17 13.144 14.126 -22.364
154 HH11 ARG 17 1HH1 ARG 17 15.020 11.911 -20.442
155 HH12 ARG 17 2HH1 ARG 17 15.586 13.132 -19.351
156 HH21 ARG 17 2HH2 ARG 17 14.936 15.311 -19.631
157 HH22 ARG 17 1HH2 ARG 17 13.881 15.743 -20.933
158 H LEU 18 H LEU 18 11.078 7.759 -24.308
159 HA LEU 18 HA LEU 18 12.376 6.845 -26.711
160 HB2 LEU 18 2HB LEU 18 12.083 4.614 -25.764
161 HB3 LEU 18 3HB LEU 18 12.808 5.729 -24.608
162 HG LEU 18 HG LEU 18 10.313 5.971 -23.788
163 HD11 LEU 18 1HD1 LEU 18 10.273 3.631 -25.563
164 HD12 LEU 18 2HD1 LEU 18 8.956 4.666 -25.012
165 HD13 LEU 18 3HD1 LEU 18 9.561 3.379 -23.969
166 HD21 LEU 18 3HD2 LEU 18 12.158 5.196 -22.416
167 HD22 LEU 18 1HD2 LEU 18 12.077 3.603 -23.170
168 HD23 LEU 18 2HD2 LEU 18 10.742 4.173 -22.168
169 H ALA 19 H ALA 19 9.126 7.226 -25.572
170 HA ALA 19 HA ALA 19 7.788 5.398 -27.217
171 HB1 ALA 19 1HB ALA 19 6.260 6.191 -25.782
172 HB2 ALA 19 2HB ALA 19 7.067 7.752 -25.630
173 HB3 ALA 19 3HB ALA 19 6.001 7.440 -26.999
174 H ARG 20 H ARG 20 9.263 8.449 -27.927
175 HA ARG 20 HA ARG 20 7.896 9.293 -30.171
176 HB2 ARG 20 2HB ARG 20 10.305 9.944 -28.899
177 HB3 ARG 20 3HB ARG 20 10.749 9.572 -30.559
178 HG2 ARG 20 2HG ARG 20 10.339 11.872 -30.541
179 HG3 ARG 20 3HG ARG 20 8.887 11.160 -31.247
180 HD2 ARG 20 2HD ARG 20 7.748 11.318 -29.101
181 HD3 ARG 20 3HD ARG 20 9.206 11.978 -28.362
182 HE ARG 20 HE ARG 20 8.485 13.589 -30.541
183 HH11 ARG 20 1HH1 ARG 20 7.365 12.743 -27.355
184 HH12 ARG 20 2HH1 ARG 20 6.570 14.259 -27.090
185 HH21 ARG 20 2HH2 ARG 20 6.613 15.877 -28.711
186 HH22 ARG 20 1HH2 ARG 20 7.442 15.590 -30.204
187 H ARG 21 H ARG 21 7.306 8.086 -31.850
188 HA ARG 21 HA ARG 21 8.797 5.792 -32.703
189 HB2 ARG 21 2HB ARG 21 6.294 7.161 -33.607
190 HB3 ARG 21 3HB ARG 21 7.061 5.984 -34.664
191 HG2 ARG 21 2HG ARG 21 5.536 4.695 -33.520
192 HG3 ARG 21 3HG ARG 21 7.008 4.447 -32.579
193 HD2 ARG 21 2HD ARG 21 5.815 5.055 -30.797
194 HD3 ARG 21 3HD ARG 21 5.881 6.695 -31.441
195 HE ARG 21 HE ARG 21 3.729 5.207 -32.564
196 HH11 ARG 21 1HH1 ARG 21 4.726 6.970 -29.733
197 HH12 ARG 21 2HH1 ARG 21 3.111 7.383 -29.262
198 HH21 ARG 21 2HH2 ARG 21 1.332 6.685 -30.525
199 HH22 ARG 21 1HH2 ARG 21 1.598 5.745 -31.954
200 H ASN 22 H ASN 22 10.797 7.153 -33.021
201 HA ASN 22 HA ASN 22 10.955 8.922 -35.243
202 HB2 ASN 22 2HB ASN 22 12.556 9.089 -33.424
203 HB3 ASN 22 3HB ASN 22 13.119 7.448 -33.728
204 HD21 ASN 22 2HD2 ASN 22 14.777 10.516 -35.624
205 HD22 ASN 22 1HD2 ASN 22 13.703 10.656 -34.278
206 H ALA 23 H ALA 23 12.762 5.881 -34.875
207 HA ALA 23 HA ALA 23 12.181 5.300 -37.707
208 HB1 ALA 23 1HB ALA 23 14.419 4.087 -37.658
209 HB2 ALA 23 2HB ALA 23 14.462 5.850 -37.644
210 HB3 ALA 23 3HB ALA 23 14.725 4.951 -36.150
211 H GLY 24 H GLY 24 13.735 3.412 -35.126
212 HA2 GLY 24 2HA GLY 24 11.729 1.302 -35.621
213 HA3 GLY 24 3HA GLY 24 13.392 0.994 -35.141
214 H ALA 25 H ALA 25 11.044 3.311 -33.831
215 HA ALA 25 HA ALA 25 11.260 1.913 -31.244
216 HB1 ALA 25 1HB ALA 25 10.798 4.228 -30.262
217 HB2 ALA 25 2HB ALA 25 12.405 3.927 -30.926
218 HB3 ALA 25 3HB ALA 25 11.224 4.850 -31.857
219 H THR 26 H THR 26 9.337 0.893 -32.630
220 HA THR 26 HA THR 26 6.862 2.382 -32.377
221 HB THR 26 HB THR 26 6.097 -0.156 -33.062
222 HG1 THR 26 HG1 THR 26 8.449 0.230 -34.565
223 HG21 THR 26 3HG2 THR 26 6.567 0.891 -35.501
224 HG22 THR 26 1HG2 THR 26 6.712 2.343 -34.512
225 HG23 THR 26 2HG2 THR 26 5.227 1.392 -34.469
226 H LEU 27 H LEU 27 8.157 -0.690 -31.111
227 HA LEU 27 HA LEU 27 6.119 -0.614 -29.000
228 HB2 LEU 27 2HB LEU 27 7.812 -2.810 -30.146
229 HB3 LEU 27 3HB LEU 27 6.995 -2.993 -28.595
230 HG LEU 27 HG LEU 27 5.301 -2.153 -30.865
231 HD11 LEU 27 1HD1 LEU 27 6.951 -4.574 -30.936
232 HD12 LEU 27 2HD1 LEU 27 6.104 -3.734 -32.235
233 HD13 LEU 27 3HD1 LEU 27 5.227 -4.849 -31.188
234 HD21 LEU 27 3HD2 LEU 27 4.159 -2.511 -28.866
235 HD22 LEU 27 1HD2 LEU 27 5.095 -3.955 -28.478
236 HD23 LEU 27 2HD2 LEU 27 3.895 -4.004 -29.769
237 H ARG 28 H ARG 28 9.403 -1.973 -29.080
238 HA ARG 28 HA ARG 28 9.867 -0.894 -26.409
239 HB2 ARG 28 2HB ARG 28 10.785 -3.201 -27.908
240 HB3 ARG 28 3HB ARG 28 12.135 -2.317 -27.208
241 HG2 ARG 28 2HG ARG 28 10.829 -2.398 -25.018
242 HG3 ARG 28 3HG ARG 28 9.822 -3.612 -25.809
243 HD2 ARG 28 2HD ARG 28 11.759 -5.014 -26.192
244 HD3 ARG 28 3HD ARG 28 12.818 -3.778 -25.513
245 HE ARG 28 HE ARG 28 11.189 -5.656 -24.066
246 HH11 ARG 28 1HH1 ARG 28 12.810 -2.577 -23.949
247 HH12 ARG 28 2HH1 ARG 28 12.945 -2.566 -22.222
248 HH21 ARG 28 2HH2 ARG 28 12.122 -4.317 -20.996
249 HH22 ARG 28 1HH2 ARG 28 11.361 -5.654 -21.792
Start of MODEL 19
1 H1 LYS 1 H LYS 1 1.863 -0.592 0.520
2 HA LYS 1 HA LYS 1 4.592 -0.825 0.128
3 HB2 LYS 1 2HB LYS 1 3.919 -3.013 -0.928
4 HB3 LYS 1 3HB LYS 1 3.087 -2.085 -2.168
5 HG2 LYS 1 2HG LYS 1 5.044 -2.361 -3.250
6 HG3 LYS 1 3HG LYS 1 5.491 -0.930 -2.318
7 HD2 LYS 1 2HD LYS 1 7.271 -2.296 -1.850
8 HD3 LYS 1 3HD LYS 1 6.189 -2.727 -0.524
9 HE2 LYS 1 2HE LYS 1 5.337 -4.593 -2.006
10 HE3 LYS 1 3HE LYS 1 6.690 -4.237 -3.078
11 HZ1 LYS 1 3HZ LYS 1 8.191 -5.068 -1.615
12 HZ2 LYS 1 1HZ LYS 1 6.864 -6.016 -1.162
13 HZ3 LYS 1 2HZ LYS 1 7.283 -4.656 -0.248
14 H TYR 2 H TYR 2 3.073 1.322 0.492
15 HA TYR 2 HA TYR 2 2.090 2.601 -1.816
16 HB2 TYR 2 2HB TYR 2 2.571 3.291 0.966
17 HB3 TYR 2 3HB TYR 2 2.934 4.636 -0.110
18 HD1 TYR 2 HD1 TYR 2 0.276 2.011 0.162
19 HD2 TYR 2 HD2 TYR 2 1.207 6.125 -0.396
20 HE1 TYR 2 HE1 TYR 2 -2.124 2.527 0.009
21 HE2 TYR 2 HE2 TYR 2 -1.190 6.653 -0.550
22 HH TYR 2 HH TYR 2 -3.647 4.248 0.107
23 H GLU 3 H GLU 3 5.275 2.026 -0.718
24 HA GLU 3 HA GLU 3 6.649 4.223 -1.775
25 HB2 GLU 3 2HB GLU 3 8.631 2.840 -1.690
26 HB3 GLU 3 3HB GLU 3 7.650 2.537 -0.263
27 HG2 GLU 3 2HG GLU 3 6.723 0.635 -1.969
28 HG3 GLU 3 3HG GLU 3 8.419 0.741 -2.439
29 H ILE 4 H ILE 4 5.175 1.507 -3.317
30 HA ILE 4 HA ILE 4 6.646 1.517 -5.732
31 HB ILE 4 HB ILE 4 5.122 -0.327 -4.948
32 HG12 ILE 4 2HG1 ILE 4 4.677 0.743 -7.744
33 HG13 ILE 4 3HG1 ILE 4 6.023 -0.267 -7.228
34 HG21 ILE 4 1HG2 ILE 4 3.248 1.442 -4.532
35 HG22 ILE 4 2HG2 ILE 4 2.864 1.146 -6.227
36 HG23 ILE 4 3HG2 ILE 4 2.826 -0.184 -5.069
37 HD11 ILE 4 3HD1 ILE 4 3.841 -1.743 -6.479
38 HD12 ILE 4 1HD1 ILE 4 3.316 -1.000 -7.990
39 HD13 ILE 4 2HD1 ILE 4 4.790 -1.970 -7.948
40 H THR 5 H THR 5 4.206 3.588 -4.483
41 HA THR 5 HA THR 5 3.218 4.569 -6.977
42 HB THR 5 HB THR 5 2.068 6.244 -5.722
43 HG1 THR 5 HG1 THR 5 3.025 7.118 -4.060
44 HG21 THR 5 3HG2 THR 5 0.946 4.919 -3.984
45 HG22 THR 5 1HG2 THR 5 2.234 3.719 -4.072
46 HG23 THR 5 2HG2 THR 5 1.180 3.984 -5.461
47 H THR 6 H THR 6 5.716 5.606 -4.708
48 HA THR 6 HA THR 6 6.300 8.048 -6.066
49 HB THR 6 HB THR 6 8.113 8.318 -4.571
50 HG1 THR 6 HG1 THR 6 7.964 5.639 -3.685
51 HG21 THR 6 3HG2 THR 6 7.123 8.019 -2.432
52 HG22 THR 6 1HG2 THR 6 6.162 6.650 -2.991
53 HG23 THR 6 2HG2 THR 6 5.793 8.278 -3.561
54 H ILE 7 H ILE 7 7.689 4.797 -6.094
55 HA ILE 7 HA ILE 7 9.860 5.458 -7.819
56 HB ILE 7 HB ILE 7 9.763 3.459 -6.276
57 HG12 ILE 7 2HG1 ILE 7 10.432 2.959 -9.185
58 HG13 ILE 7 3HG1 ILE 7 11.493 3.711 -7.998
59 HG21 ILE 7 1HG2 ILE 7 8.185 2.197 -8.508
60 HG22 ILE 7 2HG2 ILE 7 8.646 1.474 -6.968
61 HG23 ILE 7 3HG2 ILE 7 7.464 2.781 -7.008
62 HD11 ILE 7 3HD1 ILE 7 12.302 1.704 -7.557
63 HD12 ILE 7 1HD1 ILE 7 10.732 1.264 -6.886
64 HD13 ILE 7 2HD1 ILE 7 11.089 0.938 -8.582
65 H HIS 8 H HIS 8 6.561 4.411 -8.302
66 HA HIS 8 HA HIS 8 6.924 3.824 -11.101
67 HB2 HIS 8 2HB HIS 8 5.217 2.695 -9.638
68 HB3 HIS 8 3HB HIS 8 4.327 4.215 -9.604
69 HD1 HIS 8 HD1 HIS 8 5.875 2.272 -12.495
70 HD2 HIS 8 HD2 HIS 8 2.251 3.913 -11.298
71 HE1 HIS 8 HE1 HIS 8 4.289 1.864 -14.404
72 H ASN 9 H ASN 9 6.089 6.573 -9.170
73 HA ASN 9 HA ASN 9 4.902 8.074 -11.317
74 HB2 ASN 9 2HB ASN 9 4.301 8.440 -8.931
75 HB3 ASN 9 3HB ASN 9 5.927 9.055 -8.644
76 HD21 ASN 9 2HD2 ASN 9 4.819 12.251 -9.298
77 HD22 ASN 9 1HD2 ASN 9 5.653 11.146 -8.264
78 H LEU 10 H LEU 10 8.079 7.713 -9.908
79 HA LEU 10 HA LEU 10 9.199 9.985 -11.276
80 HB2 LEU 10 2HB LEU 10 10.289 7.774 -9.586
81 HB3 LEU 10 3HB LEU 10 11.383 8.783 -10.529
82 HG LEU 10 HG LEU 10 9.423 10.009 -8.620
83 HD11 LEU 10 1HD1 LEU 10 10.908 8.185 -7.561
84 HD12 LEU 10 2HD1 LEU 10 10.850 9.777 -6.807
85 HD13 LEU 10 3HD1 LEU 10 12.225 9.330 -7.816
86 HD21 LEU 10 3HD2 LEU 10 11.732 11.457 -8.590
87 HD22 LEU 10 1HD2 LEU 10 10.336 11.797 -9.614
88 HD23 LEU 10 2HD2 LEU 10 11.695 10.871 -10.254
89 H ALA 11 H ALA 11 8.762 6.604 -11.914
90 HA ALA 11 HA ALA 11 10.485 6.782 -14.289
91 HB1 ALA 11 1HB ALA 11 10.246 4.797 -12.368
92 HB2 ALA 11 2HB ALA 11 9.384 4.156 -13.767
93 HB3 ALA 11 3HB ALA 11 11.065 4.665 -13.925
94 H ARG 12 H ARG 12 7.840 8.004 -14.126
95 HA ARG 12 HA ARG 12 6.224 6.318 -15.887
96 HB2 ARG 12 2HB ARG 12 4.406 7.798 -15.432
97 HB3 ARG 12 3HB ARG 12 5.201 7.465 -13.900
98 HG2 ARG 12 2HG ARG 12 5.040 9.692 -13.651
99 HG3 ARG 12 3HG ARG 12 6.515 9.693 -14.621
100 HD2 ARG 12 2HD ARG 12 4.867 9.760 -16.633
101 HD3 ARG 12 3HD ARG 12 3.707 10.327 -15.433
102 HE ARG 12 HE ARG 12 6.083 11.831 -15.246
103 HH11 ARG 12 1HH1 ARG 12 3.323 11.369 -17.317
104 HH12 ARG 12 2HH1 ARG 12 3.365 12.981 -17.951
105 HH21 ARG 12 2HH2 ARG 12 4.974 14.451 -17.243
106 HH22 ARG 12 1HH2 ARG 12 6.149 13.956 -16.073
107 H LYS 13 H LYS 13 8.186 9.179 -15.899
108 HA LYS 13 HA LYS 13 7.218 10.315 -18.311
109 HB2 LYS 13 2HB LYS 13 8.488 11.650 -16.733
110 HB3 LYS 13 3HB LYS 13 9.886 10.599 -16.918
111 HG2 LYS 13 2HG LYS 13 9.173 11.510 -19.496
112 HG3 LYS 13 3HG LYS 13 9.175 12.907 -18.417
113 HD2 LYS 13 2HD LYS 13 11.418 12.656 -17.890
114 HD3 LYS 13 3HD LYS 13 11.438 10.950 -18.342
115 HE2 LYS 13 2HE LYS 13 12.065 11.447 -20.417
116 HE3 LYS 13 3HE LYS 13 10.729 12.583 -20.602
117 HZ1 LYS 13 3HZ LYS 13 13.061 13.420 -19.038
118 HZ2 LYS 13 1HZ LYS 13 12.018 14.344 -19.999
119 HZ3 LYS 13 2HZ LYS 13 13.203 13.379 -20.723
120 H LEU 14 H LEU 14 9.600 7.861 -17.572
121 HA LEU 14 HA LEU 14 10.809 7.798 -20.148
122 HB2 LEU 14 2HB LEU 14 11.898 5.811 -19.418
123 HB3 LEU 14 3HB LEU 14 11.852 6.937 -18.064
124 HG LEU 14 HG LEU 14 9.674 5.524 -17.473
125 HD11 LEU 14 1HD1 LEU 14 9.419 3.747 -18.781
126 HD12 LEU 14 2HD1 LEU 14 10.873 3.087 -18.035
127 HD13 LEU 14 3HD1 LEU 14 10.990 3.993 -19.543
128 HD21 LEU 14 3HD2 LEU 14 11.507 5.841 -15.959
129 HD22 LEU 14 1HD2 LEU 14 12.531 4.755 -16.898
130 HD23 LEU 14 2HD2 LEU 14 11.133 4.119 -16.030
131 H THR 15 H THR 15 7.868 6.591 -18.881
132 HA THR 15 HA THR 15 7.546 4.459 -20.791
133 HB THR 15 HB THR 15 5.980 5.553 -18.545
134 HG1 THR 15 HG1 THR 15 5.634 3.296 -18.258
135 HG21 THR 15 3HG2 THR 15 4.649 4.382 -20.983
136 HG22 THR 15 1HG2 THR 15 4.296 5.916 -20.188
137 HG23 THR 15 2HG2 THR 15 3.900 4.395 -19.387
138 H HIS 16 H HIS 16 6.607 7.823 -20.518
139 HA HIS 16 HA HIS 16 4.837 7.716 -22.797
140 HB2 HIS 16 2HB HIS 16 4.616 9.288 -20.787
141 HB3 HIS 16 3HB HIS 16 5.926 10.216 -21.512
142 HD1 HIS 16 HD1 HIS 16 5.044 12.150 -22.749
143 HD2 HIS 16 HD2 HIS 16 2.493 8.880 -23.000
144 HE1 HIS 16 HE1 HIS 16 3.115 12.909 -24.174
145 H ARG 17 H ARG 17 8.159 8.576 -22.137
146 HA ARG 17 HA ARG 17 8.657 9.935 -24.582
147 HB2 ARG 17 2HB ARG 17 10.834 10.114 -23.870
148 HB3 ARG 17 3HB ARG 17 10.028 9.834 -22.332
149 HG2 ARG 17 2HG ARG 17 10.573 7.407 -22.585
150 HG3 ARG 17 3HG ARG 17 11.549 7.840 -23.989
151 HD2 ARG 17 2HD ARG 17 12.039 9.353 -21.492
152 HD3 ARG 17 3HD ARG 17 12.548 7.665 -21.515
153 HE ARG 17 HE ARG 17 13.470 8.882 -23.853
154 HH11 ARG 17 1HH1 ARG 17 13.984 9.042 -20.414
155 HH12 ARG 17 2HH1 ARG 17 15.633 9.555 -20.553
156 HH21 ARG 17 2HH2 ARG 17 16.574 9.848 -22.621
157 HH22 ARG 17 1HH2 ARG 17 15.640 9.557 -24.049
158 H LEU 18 H LEU 18 8.714 6.581 -23.606
159 HA LEU 18 HA LEU 18 10.192 5.557 -25.783
160 HB2 LEU 18 2HB LEU 18 9.651 3.469 -24.996
161 HB3 LEU 18 3HB LEU 18 9.479 4.454 -23.544
162 HG LEU 18 HG LEU 18 6.950 4.531 -24.373
163 HD11 LEU 18 1HD1 LEU 18 8.194 2.281 -25.825
164 HD12 LEU 18 2HD1 LEU 18 6.780 3.254 -26.229
165 HD13 LEU 18 3HD1 LEU 18 6.647 1.957 -25.041
166 HD21 LEU 18 3HD2 LEU 18 8.293 3.400 -22.311
167 HD22 LEU 18 1HD2 LEU 18 7.591 1.973 -23.075
168 HD23 LEU 18 2HD2 LEU 18 6.547 3.291 -22.541
169 H ALA 19 H ALA 19 6.880 6.532 -25.423
170 HA ALA 19 HA ALA 19 5.761 5.128 -27.596
171 HB1 ALA 19 1HB ALA 19 4.895 7.794 -26.485
172 HB2 ALA 19 2HB ALA 19 3.918 6.682 -27.444
173 HB3 ALA 19 3HB ALA 19 4.439 6.224 -25.823
174 H ARG 20 H ARG 20 7.600 8.092 -27.388
175 HA ARG 20 HA ARG 20 6.977 9.261 -29.834
176 HB2 ARG 20 2HB ARG 20 8.798 9.734 -27.775
177 HB3 ARG 20 3HB ARG 20 9.800 9.504 -29.202
178 HG2 ARG 20 2HG ARG 20 9.405 11.790 -29.164
179 HG3 ARG 20 3HG ARG 20 8.228 11.187 -30.332
180 HD2 ARG 20 2HD ARG 20 6.950 11.031 -27.857
181 HD3 ARG 20 3HD ARG 20 7.803 12.574 -27.837
182 HE ARG 20 HE ARG 20 6.510 12.405 -30.281
183 HH11 ARG 20 1HH1 ARG 20 5.650 12.494 -26.909
184 HH12 ARG 20 2HH1 ARG 20 4.121 13.261 -27.185
185 HH21 ARG 20 2HH2 ARG 20 3.467 13.784 -29.317
186 HH22 ARG 20 1HH2 ARG 20 4.499 13.415 -30.657
187 H ARG 21 H ARG 21 6.934 8.175 -31.700
188 HA ARG 21 HA ARG 21 9.101 6.293 -32.307
189 HB2 ARG 21 2HB ARG 21 7.620 5.532 -34.151
190 HB3 ARG 21 3HB ARG 21 6.891 5.360 -32.560
191 HG2 ARG 21 2HG ARG 21 6.275 7.912 -33.810
192 HG3 ARG 21 3HG ARG 21 5.731 6.526 -34.757
193 HD2 ARG 21 2HD ARG 21 5.200 6.371 -31.867
194 HD3 ARG 21 3HD ARG 21 4.326 7.637 -32.728
195 HE ARG 21 HE ARG 21 4.064 5.287 -34.196
196 HH11 ARG 21 1HH1 ARG 21 3.134 6.545 -31.086
197 HH12 ARG 21 2HH1 ARG 21 1.701 5.577 -30.977
198 HH21 ARG 21 2HH2 ARG 21 1.160 4.133 -32.672
199 HH22 ARG 21 1HH2 ARG 21 2.180 4.007 -34.065
200 H ASN 22 H ASN 22 9.603 9.104 -32.392
201 HA ASN 22 HA ASN 22 9.726 9.713 -35.253
202 HB2 ASN 22 2HB ASN 22 10.280 11.414 -32.814
203 HB3 ASN 22 3HB ASN 22 10.480 11.972 -34.473
204 HD21 ASN 22 2HD2 ASN 22 7.025 12.228 -35.134
205 HD22 ASN 22 1HD2 ASN 22 8.573 11.943 -35.847
206 H ALA 23 H ALA 23 11.766 9.087 -32.467
207 HA ALA 23 HA ALA 23 14.115 9.110 -34.250
208 HB1 ALA 23 1HB ALA 23 15.442 9.991 -32.600
209 HB2 ALA 23 2HB ALA 23 13.907 10.781 -32.239
210 HB3 ALA 23 3HB ALA 23 14.421 9.381 -31.298
211 H GLY 24 H GLY 24 12.308 7.383 -31.813
212 HA2 GLY 24 2HA GLY 24 14.287 5.228 -31.742
213 HA3 GLY 24 3HA GLY 24 12.868 5.368 -30.714
214 H ALA 25 H ALA 25 12.611 5.820 -34.151
215 HA ALA 25 HA ALA 25 10.557 3.972 -34.484
216 HB1 ALA 25 1HB ALA 25 12.483 5.120 -36.496
217 HB2 ALA 25 2HB ALA 25 11.067 4.160 -36.924
218 HB3 ALA 25 3HB ALA 25 10.868 5.704 -36.096
219 H THR 26 H THR 26 13.988 3.514 -34.416
220 HA THR 26 HA THR 26 13.729 0.783 -35.455
221 HB THR 26 HB THR 26 16.382 1.033 -34.996
222 HG1 THR 26 HG1 THR 26 16.586 3.108 -34.438
223 HG21 THR 26 3HG2 THR 26 16.172 2.164 -37.486
224 HG22 THR 26 1HG2 THR 26 14.603 1.383 -37.292
225 HG23 THR 26 2HG2 THR 26 16.084 0.437 -37.140
226 H LEU 27 H LEU 27 12.610 0.097 -33.496
227 HA LEU 27 HA LEU 27 13.960 0.147 -30.975
228 HB2 LEU 27 2HB LEU 27 12.164 -1.388 -30.256
229 HB3 LEU 27 3HB LEU 27 11.568 0.090 -31.009
230 HG LEU 27 HG LEU 27 11.846 -2.157 -32.865
231 HD11 LEU 27 1HD1 LEU 27 9.689 -2.330 -30.777
232 HD12 LEU 27 2HD1 LEU 27 11.173 -3.279 -30.712
233 HD13 LEU 27 3HD1 LEU 27 10.057 -3.480 -32.062
234 HD21 LEU 27 3HD2 LEU 27 9.336 -1.360 -33.112
235 HD22 LEU 27 1HD2 LEU 27 10.676 -0.428 -33.782
236 HD23 LEU 27 2HD2 LEU 27 9.953 0.047 -32.245
237 H ARG 28 H ARG 28 13.841 -2.025 -33.688
238 HA ARG 28 HA ARG 28 15.238 -4.114 -32.188
239 HB2 ARG 28 2HB ARG 28 13.258 -4.506 -33.830
240 HB3 ARG 28 3HB ARG 28 14.475 -4.314 -35.084
241 HG2 ARG 28 2HG ARG 28 15.453 -6.300 -34.634
242 HG3 ARG 28 3HG ARG 28 15.117 -6.199 -32.905
243 HD2 ARG 28 2HD ARG 28 13.085 -7.188 -33.104
244 HD3 ARG 28 3HD ARG 28 12.781 -6.484 -34.692
245 HE ARG 28 HE ARG 28 14.841 -8.394 -34.886
246 HH11 ARG 28 1HH1 ARG 28 11.404 -8.166 -34.378
247 HH12 ARG 28 2HH1 ARG 28 11.068 -9.722 -35.061
248 HH21 ARG 28 2HH2 ARG 28 12.780 -11.017 -35.862
249 HH22 ARG 28 1HH2 ARG 28 14.411 -10.444 -35.788
Start of MODEL 20
1 H1 LYS 1 H LYS 1 2.533 -4.401 -4.682
2 HA LYS 1 HA LYS 1 4.954 -3.910 -5.301
3 HB2 LYS 1 2HB LYS 1 3.661 -4.451 -7.970
4 HB3 LYS 1 3HB LYS 1 5.147 -3.522 -7.818
5 HG2 LYS 1 2HG LYS 1 6.397 -5.344 -7.443
6 HG3 LYS 1 3HG LYS 1 5.168 -6.104 -6.428
7 HD2 LYS 1 2HD LYS 1 3.887 -6.632 -8.505
8 HD3 LYS 1 3HD LYS 1 5.254 -6.026 -9.442
9 HE2 LYS 1 2HE LYS 1 5.542 -8.204 -7.389
10 HE3 LYS 1 3HE LYS 1 5.130 -8.541 -9.070
11 HZ1 LYS 1 3HZ LYS 1 7.642 -7.529 -7.941
12 HZ2 LYS 1 1HZ LYS 1 7.221 -7.074 -9.515
13 HZ3 LYS 1 2HZ LYS 1 7.394 -8.711 -9.125
14 H TYR 2 H TYR 2 3.687 -2.264 -4.031
15 HA TYR 2 HA TYR 2 2.203 -0.263 -5.404
16 HB2 TYR 2 2HB TYR 2 2.509 -0.945 -2.783
17 HB3 TYR 2 3HB TYR 2 3.494 0.511 -2.870
18 HD1 TYR 2 HD1 TYR 2 0.098 -0.786 -3.671
19 HD2 TYR 2 HD2 TYR 2 2.488 2.615 -2.765
20 HE1 TYR 2 HE1 TYR 2 -1.934 0.590 -3.504
21 HE2 TYR 2 HE2 TYR 2 0.463 4.000 -2.595
22 HH TYR 2 HH TYR 2 -1.780 4.060 -3.170
23 H GLU 3 H GLU 3 5.545 -0.863 -5.008
24 HA GLU 3 HA GLU 3 6.594 1.734 -5.101
25 HB2 GLU 3 2HB GLU 3 8.656 0.678 -5.925
26 HB3 GLU 3 3HB GLU 3 7.974 -0.198 -4.561
27 HG2 GLU 3 2HG GLU 3 7.729 -2.060 -5.746
28 HG3 GLU 3 3HG GLU 3 7.012 -1.199 -7.107
29 H ILE 4 H ILE 4 4.962 -0.095 -7.473
30 HA ILE 4 HA ILE 4 6.109 0.896 -9.834
31 HB ILE 4 HB ILE 4 4.455 -1.005 -9.646
32 HG12 ILE 4 2HG1 ILE 4 3.917 1.153 -11.698
33 HG13 ILE 4 3HG1 ILE 4 5.149 -0.099 -11.810
34 HG21 ILE 4 1HG2 ILE 4 2.814 0.245 -8.269
35 HG22 ILE 4 2HG2 ILE 4 2.421 1.217 -9.686
36 HG23 ILE 4 3HG2 ILE 4 2.101 -0.517 -9.691
37 HD11 ILE 4 3HD1 ILE 4 3.471 -0.921 -13.150
38 HD12 ILE 4 1HD1 ILE 4 3.151 -1.730 -11.616
39 HD13 ILE 4 2HD1 ILE 4 2.191 -0.329 -12.092
40 H THR 5 H THR 5 4.148 2.420 -7.483
41 HA THR 5 HA THR 5 3.103 4.459 -9.240
42 HB THR 5 HB THR 5 1.933 3.645 -7.143
43 HG1 THR 5 HG1 THR 5 1.060 5.477 -7.892
44 HG21 THR 5 3HG2 THR 5 3.601 5.597 -5.623
45 HG22 THR 5 1HG2 THR 5 4.194 3.950 -5.836
46 HG23 THR 5 2HG2 THR 5 2.649 4.234 -5.035
47 H THR 6 H THR 6 5.752 4.109 -6.957
48 HA THR 6 HA THR 6 6.499 6.893 -7.116
49 HB THR 6 HB THR 6 6.901 5.646 -5.043
50 HG1 THR 6 HG1 THR 6 9.459 6.202 -6.106
51 HG21 THR 6 3HG2 THR 6 8.884 4.037 -5.075
52 HG22 THR 6 1HG2 THR 6 8.655 3.968 -6.821
53 HG23 THR 6 2HG2 THR 6 7.363 3.444 -5.740
54 H ILE 7 H ILE 7 7.293 3.936 -8.740
55 HA ILE 7 HA ILE 7 9.763 4.887 -9.865
56 HB ILE 7 HB ILE 7 9.175 2.449 -9.469
57 HG12 ILE 7 2HG1 ILE 7 10.106 3.276 -12.227
58 HG13 ILE 7 3HG1 ILE 7 11.117 3.149 -10.792
59 HG21 ILE 7 1HG2 ILE 7 6.911 2.596 -10.472
60 HG22 ILE 7 2HG2 ILE 7 7.664 2.777 -12.055
61 HG23 ILE 7 3HG2 ILE 7 7.890 1.289 -11.137
62 HD11 ILE 7 3HD1 ILE 7 10.020 0.667 -10.905
63 HD12 ILE 7 1HD1 ILE 7 10.163 1.076 -12.614
64 HD13 ILE 7 2HD1 ILE 7 11.588 1.115 -11.576
65 H HIS 8 H HIS 8 6.397 4.807 -10.810
66 HA HIS 8 HA HIS 8 6.918 5.562 -13.542
67 HB2 HIS 8 2HB HIS 8 4.535 4.946 -11.900
68 HB3 HIS 8 3HB HIS 8 4.281 6.080 -13.223
69 HD1 HIS 8 HD1 HIS 8 3.999 5.101 -15.502
70 HD2 HIS 8 HD2 HIS 8 5.580 2.374 -12.795
71 HE1 HIS 8 HE1 HIS 8 4.050 2.900 -16.717
72 H ASN 9 H ASN 9 6.360 7.170 -10.530
73 HA ASN 9 HA ASN 9 5.609 9.693 -11.686
74 HB2 ASN 9 2HB ASN 9 5.777 8.546 -9.040
75 HB3 ASN 9 3HB ASN 9 6.542 10.132 -9.070
76 HD21 ASN 9 2HD2 ASN 9 3.525 11.759 -8.838
77 HD22 ASN 9 1HD2 ASN 9 5.216 11.678 -8.495
78 H LEU 10 H LEU 10 8.566 8.152 -10.632
79 HA LEU 10 HA LEU 10 10.137 10.562 -10.770
80 HB2 LEU 10 2HB LEU 10 10.683 7.679 -10.254
81 HB3 LEU 10 3HB LEU 10 12.023 8.730 -10.712
82 HG LEU 10 HG LEU 10 10.223 9.340 -8.380
83 HD11 LEU 10 1HD1 LEU 10 12.381 7.356 -8.616
84 HD12 LEU 10 2HD1 LEU 10 11.053 7.463 -7.461
85 HD13 LEU 10 3HD1 LEU 10 12.499 8.447 -7.235
86 HD21 LEU 10 3HD2 LEU 10 11.378 11.258 -8.651
87 HD22 LEU 10 1HD2 LEU 10 12.665 10.480 -9.572
88 HD23 LEU 10 2HD2 LEU 10 12.648 10.365 -7.812
89 H ALA 11 H ALA 11 9.394 7.856 -12.864
90 HA ALA 11 HA ALA 11 11.225 8.900 -14.908
91 HB1 ALA 11 1HB ALA 11 9.918 6.238 -14.492
92 HB2 ALA 11 2HB ALA 11 10.552 6.698 -16.073
93 HB3 ALA 11 3HB ALA 11 11.629 6.624 -14.678
94 H ARG 12 H ARG 12 8.746 10.247 -14.248
95 HA ARG 12 HA ARG 12 6.637 9.691 -15.972
96 HB2 ARG 12 2HB ARG 12 6.141 12.172 -15.771
97 HB3 ARG 12 3HB ARG 12 6.268 11.281 -14.260
98 HG2 ARG 12 2HG ARG 12 8.138 12.375 -13.610
99 HG3 ARG 12 3HG ARG 12 8.740 12.553 -15.259
100 HD2 ARG 12 2HD ARG 12 7.996 14.643 -15.295
101 HD3 ARG 12 3HD ARG 12 6.351 14.054 -15.060
102 HE ARG 12 HE ARG 12 6.452 14.810 -12.914
103 HH11 ARG 12 1HH1 ARG 12 9.700 14.405 -14.099
104 HH12 ARG 12 2HH1 ARG 12 10.440 15.076 -12.683
105 HH21 ARG 12 2HH2 ARG 12 9.138 15.810 -10.946
106 HH22 ARG 12 1HH2 ARG 12 7.413 15.696 -11.045
107 H LYS 13 H LYS 13 9.673 11.327 -16.560
108 HA LYS 13 HA LYS 13 9.026 12.528 -19.024
109 HB2 LYS 13 2HB LYS 13 11.499 12.546 -19.394
110 HB3 LYS 13 3HB LYS 13 10.999 13.229 -17.852
111 HG2 LYS 13 2HG LYS 13 11.482 10.453 -17.483
112 HG3 LYS 13 3HG LYS 13 12.855 11.154 -18.344
113 HD2 LYS 13 2HD LYS 13 13.079 12.864 -16.625
114 HD3 LYS 13 3HD LYS 13 11.670 12.220 -15.780
115 HE2 LYS 13 2HE LYS 13 12.799 10.373 -15.024
116 HE3 LYS 13 3HE LYS 13 13.937 10.384 -16.371
117 HZ1 LYS 13 3HZ LYS 13 14.197 12.724 -14.774
118 HZ2 LYS 13 1HZ LYS 13 15.367 11.576 -15.192
119 HZ3 LYS 13 2HZ LYS 13 14.388 11.330 -13.835
120 H LEU 14 H LEU 14 10.041 9.289 -18.167
121 HA LEU 14 HA LEU 14 10.663 8.423 -20.800
122 HB2 LEU 14 2HB LEU 14 9.854 6.842 -18.364
123 HB3 LEU 14 3HB LEU 14 10.510 6.154 -19.848
124 HG LEU 14 HG LEU 14 11.964 8.000 -17.955
125 HD11 LEU 14 1HD1 LEU 14 12.781 6.205 -16.917
126 HD12 LEU 14 2HD1 LEU 14 13.044 5.341 -18.432
127 HD13 LEU 14 3HD1 LEU 14 11.456 5.314 -17.666
128 HD21 LEU 14 3HD2 LEU 14 12.753 6.735 -20.566
129 HD22 LEU 14 1HD2 LEU 14 13.936 7.298 -19.385
130 HD23 LEU 14 2HD2 LEU 14 12.805 8.439 -20.113
131 H THR 15 H THR 15 7.718 8.838 -19.054
132 HA THR 15 HA THR 15 6.136 7.053 -20.645
133 HB THR 15 HB THR 15 5.645 8.929 -18.430
134 HG1 THR 15 HG1 THR 15 5.652 6.634 -18.213
135 HG21 THR 15 3HG2 THR 15 3.563 8.438 -20.555
136 HG22 THR 15 1HG2 THR 15 4.147 9.989 -19.954
137 HG23 THR 15 2HG2 THR 15 3.173 8.951 -18.913
138 H HIS 16 H HIS 16 7.094 10.395 -20.835
139 HA HIS 16 HA HIS 16 5.121 11.096 -22.816
140 HB2 HIS 16 2HB HIS 16 6.271 12.661 -21.102
141 HB3 HIS 16 3HB HIS 16 7.612 12.681 -22.243
142 HD1 HIS 16 HD1 HIS 16 6.101 12.900 -24.888
143 HD2 HIS 16 HD2 HIS 16 5.145 15.100 -21.496
144 HE1 HIS 16 HE1 HIS 16 4.872 14.928 -25.726
145 H ARG 17 H ARG 17 8.551 10.259 -22.769
146 HA ARG 17 HA ARG 17 9.146 10.824 -25.445
147 HB2 ARG 17 2HB ARG 17 10.553 9.878 -23.292
148 HB3 ARG 17 3HB ARG 17 10.496 8.463 -24.335
149 HG2 ARG 17 2HG ARG 17 11.714 9.484 -26.011
150 HG3 ARG 17 3HG ARG 17 11.313 11.109 -25.451
151 HD2 ARG 17 2HD ARG 17 12.920 11.092 -23.822
152 HD3 ARG 17 3HD ARG 17 12.865 9.340 -23.635
153 HE ARG 17 HE ARG 17 14.511 9.164 -25.208
154 HH11 ARG 17 1HH1 ARG 17 13.065 12.323 -25.438
155 HH12 ARG 17 2HH1 ARG 17 14.217 12.909 -26.592
156 HH21 ARG 17 2HH2 ARG 17 15.905 11.544 -27.325
157 HH22 ARG 17 1HH2 ARG 17 16.034 9.925 -26.727
158 H LEU 18 H LEU 18 7.905 7.876 -23.924
159 HA LEU 18 HA LEU 18 7.856 6.405 -26.389
160 HB2 LEU 18 2HB LEU 18 6.419 5.769 -23.821
161 HB3 LEU 18 3HB LEU 18 6.810 4.654 -25.129
162 HG LEU 18 HG LEU 18 8.946 6.035 -23.528
163 HD11 LEU 18 1HD1 LEU 18 9.068 4.085 -22.103
164 HD12 LEU 18 2HD1 LEU 18 7.700 3.354 -22.941
165 HD13 LEU 18 3HD1 LEU 18 7.468 4.817 -21.984
166 HD21 LEU 18 3HD2 LEU 18 10.355 4.864 -24.786
167 HD22 LEU 18 1HD2 LEU 18 8.982 4.440 -25.809
168 HD23 LEU 18 2HD2 LEU 18 9.468 3.367 -24.497
169 H ALA 19 H ALA 19 5.620 8.375 -24.574
170 HA ALA 19 HA ALA 19 3.215 7.550 -25.766
171 HB1 ALA 19 1HB ALA 19 2.677 8.859 -24.019
172 HB2 ALA 19 2HB ALA 19 4.125 9.853 -24.183
173 HB3 ALA 19 3HB ALA 19 2.728 10.154 -25.216
174 H ARG 20 H ARG 20 5.730 9.728 -26.843
175 HA ARG 20 HA ARG 20 4.127 10.590 -29.127
176 HB2 ARG 20 2HB ARG 20 5.968 12.134 -29.591
177 HB3 ARG 20 3HB ARG 20 5.411 12.296 -27.931
178 HG2 ARG 20 2HG ARG 20 7.306 11.106 -27.102
179 HG3 ARG 20 3HG ARG 20 7.812 10.675 -28.737
180 HD2 ARG 20 2HD ARG 20 7.909 13.225 -29.130
181 HD3 ARG 20 3HD ARG 20 7.904 13.340 -27.371
182 HE ARG 20 HE ARG 20 9.887 11.563 -27.888
183 HH11 ARG 20 1HH1 ARG 20 9.173 14.780 -29.012
184 HH12 ARG 20 2HH1 ARG 20 10.836 15.205 -29.253
185 HH21 ARG 20 2HH2 ARG 20 12.487 13.686 -28.792
186 HH22 ARG 20 1HH2 ARG 20 12.079 12.111 -28.201
187 H ARG 21 H ARG 21 6.835 8.546 -28.316
188 HA ARG 21 HA ARG 21 7.096 7.820 -31.161
189 HB2 ARG 21 2HB ARG 21 9.098 8.299 -29.053
190 HB3 ARG 21 3HB ARG 21 9.379 6.861 -30.025
191 HG2 ARG 21 2HG ARG 21 10.518 8.378 -31.269
192 HG3 ARG 21 3HG ARG 21 8.923 8.551 -32.006
193 HD2 ARG 21 2HD ARG 21 8.501 10.560 -30.918
194 HD3 ARG 21 3HD ARG 21 9.708 10.249 -29.671
195 HE ARG 21 HE ARG 21 11.309 11.156 -31.038
196 HH11 ARG 21 1HH1 ARG 21 8.439 10.508 -32.898
197 HH12 ARG 21 2HH1 ARG 21 9.010 11.333 -34.310
198 HH21 ARG 21 2HH2 ARG 21 11.078 12.320 -34.305
199 HH22 ARG 21 1HH2 ARG 21 12.073 12.245 -32.891
200 H ASN 22 H ASN 22 5.334 6.321 -30.859
201 HA ASN 22 HA ASN 22 5.650 4.126 -29.020
202 HB2 ASN 22 2HB ASN 22 3.436 5.154 -29.825
203 HB3 ASN 22 3HB ASN 22 3.688 4.231 -31.303
204 HD21 ASN 22 2HD2 ASN 22 2.546 2.411 -27.859
205 HD22 ASN 22 1HD2 ASN 22 3.067 4.059 -27.883
206 H ALA 23 H ALA 23 6.424 4.798 -32.329
207 HA ALA 23 HA ALA 23 6.675 2.108 -33.219
208 HB1 ALA 23 1HB ALA 23 6.387 3.801 -34.862
209 HB2 ALA 23 2HB ALA 23 7.792 4.695 -34.279
210 HB3 ALA 23 3HB ALA 23 8.008 3.139 -35.079
211 H GLY 24 H GLY 24 8.735 4.273 -31.450
212 HA2 GLY 24 2HA GLY 24 11.181 2.868 -31.968
213 HA3 GLY 24 3HA GLY 24 10.924 4.096 -30.737
214 H ALA 25 H ALA 25 8.618 2.580 -29.625
215 HA ALA 25 HA ALA 25 10.204 0.741 -27.996
216 HB1 ALA 25 1HB ALA 25 7.371 1.597 -27.471
217 HB2 ALA 25 2HB ALA 25 8.548 0.943 -26.331
218 HB3 ALA 25 3HB ALA 25 8.763 2.566 -26.987
219 H THR 26 H THR 26 9.737 -0.255 -30.504
220 HA THR 26 HA THR 26 7.431 -1.727 -30.937
221 HB THR 26 HB THR 26 9.709 -3.264 -31.795
222 HG1 THR 26 HG1 THR 26 11.081 -1.743 -32.299
223 HG21 THR 26 3HG2 THR 26 8.764 -2.077 -34.026
224 HG22 THR 26 1HG2 THR 26 7.389 -1.848 -32.947
225 HG23 THR 26 2HG2 THR 26 8.000 -3.472 -33.265
226 H LEU 27 H LEU 27 10.474 -2.951 -29.525
227 HA LEU 27 HA LEU 27 8.930 -5.127 -28.291
228 HB2 LEU 27 2HB LEU 27 11.896 -4.905 -28.784
229 HB3 LEU 27 3HB LEU 27 11.077 -6.285 -28.056
230 HG LEU 27 HG LEU 27 10.325 -5.398 -30.811
231 HD11 LEU 27 1HD1 LEU 27 12.791 -6.910 -30.014
232 HD12 LEU 27 2HD1 LEU 27 12.639 -5.542 -31.116
233 HD13 LEU 27 3HD1 LEU 27 12.031 -7.127 -31.591
234 HD21 LEU 27 3HD2 LEU 27 9.136 -7.275 -30.796
235 HD22 LEU 27 1HD2 LEU 27 9.525 -7.436 -29.083
236 HD23 LEU 27 2HD2 LEU 27 10.535 -8.226 -30.294
237 H ARG 28 H ARG 28 10.978 -2.398 -27.638
238 HA ARG 28 HA ARG 28 11.445 -3.064 -24.881
239 HB2 ARG 28 2HB ARG 28 12.392 -1.113 -26.752
240 HB3 ARG 28 3HB ARG 28 11.826 -0.287 -25.306
241 HG2 ARG 28 2HG ARG 28 14.104 -0.703 -24.944
242 HG3 ARG 28 3HG ARG 28 13.249 -1.915 -23.988
243 HD2 ARG 28 2HD ARG 28 13.563 -3.520 -25.865
244 HD3 ARG 28 3HD ARG 28 14.550 -2.307 -26.678
245 HE ARG 28 HE ARG 28 15.334 -3.992 -24.500
246 HH11 ARG 28 1HH1 ARG 28 15.885 -0.926 -26.054
247 HH12 ARG 28 2HH1 ARG 28 17.509 -0.774 -25.469
248 HH21 ARG 28 2HH2 ARG 28 18.410 -2.411 -24.145
249 HH22 ARG 28 1HH2 ARG 28 17.471 -3.803 -23.724