NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
588507 |
2mvh   |
25268 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 HT1 MET 1 -4.788 2.500 -10.244
2 H2 MET 1 HT2 MET 1 -3.690 2.533 -11.540
3 H3 MET 1 HT3 MET 1 -3.306 1.686 -10.118
4 HA MET 1 HA MET 1 -5.753 0.905 -11.492
5 HB2 MET 1 HB2 MET 1 -4.059 1.244 -13.314
6 HB3 MET 1 HB1 MET 1 -2.983 0.122 -12.488
7 HG2 MET 1 HG2 MET 1 -4.653 -1.677 -12.728
8 HG3 MET 1 HG1 MET 1 -5.769 -0.550 -13.501
9 HE1 MET 1 HE1 MET 1 -6.119 -1.931 -15.545
10 HE2 MET 1 HE2 MET 1 -5.114 -3.211 -14.872
11 HE3 MET 1 HE3 MET 1 -4.852 -2.675 -16.529
12 H LYS 2 HN LYS 2 -2.546 -0.385 -10.579
13 HA LYS 2 HA LYS 2 -3.524 -2.796 -9.470
14 HB2 LYS 2 HB2 LYS 2 -1.190 -2.394 -10.231
15 HB3 LYS 2 HB1 LYS 2 -0.924 -1.348 -8.844
16 HG2 LYS 2 HG2 LYS 2 -1.449 -3.261 -7.325
17 HG3 LYS 2 HG1 LYS 2 -1.654 -4.302 -8.727
18 HD2 LYS 2 HD2 LYS 2 0.938 -2.803 -8.140
19 HD3 LYS 2 HD1 LYS 2 0.632 -4.436 -7.564
20 HE2 LYS 2 HE2 LYS 2 0.246 -5.119 -9.996
21 HE3 LYS 2 HE1 LYS 2 0.864 -3.533 -10.458
22 HZ1 LYS 2 HZ1 LYS 2 2.921 -4.200 -10.106
23 HZ2 LYS 2 HZ2 LYS 2 2.336 -5.778 -9.876
24 HZ3 LYS 2 HZ3 LYS 2 2.557 -4.747 -8.543
25 H PHE 3 HN PHE 3 -2.604 0.303 -7.990
26 HA PHE 3 HA PHE 3 -4.466 -0.020 -5.808
27 HB2 PHE 3 HB2 PHE 3 -2.596 -1.476 -5.053
28 HB3 PHE 3 HB1 PHE 3 -1.486 -0.118 -5.204
29 HD1 PHE 3 HD1 PHE 3 -4.424 -1.437 -3.331
30 HD2 PHE 3 HD2 PHE 3 -1.462 1.682 -3.531
31 HE1 PHE 3 HE1 PHE 3 -5.055 -0.687 -1.057
32 HE2 PHE 3 HE2 PHE 3 -2.099 2.419 -1.250
33 HZ PHE 3 HZ PHE 3 -3.893 1.238 -0.015
34 H TYR 4 HN TYR 4 -4.671 1.923 -4.569
35 HA TYR 4 HA TYR 4 -4.018 4.320 -6.048
36 HB2 TYR 4 HB2 TYR 4 -5.262 3.954 -3.300
37 HB3 TYR 4 HB1 TYR 4 -5.188 5.470 -4.190
38 HD1 TYR 4 HD1 TYR 4 -6.221 5.565 -6.550
39 HD2 TYR 4 HD2 TYR 4 -7.092 2.411 -3.747
40 HE1 TYR 4 HE1 TYR 4 -8.259 4.988 -7.823
41 HE2 TYR 4 HE2 TYR 4 -9.134 1.847 -5.027
42 HH TYR 4 HH TYR 4 -10.143 3.777 -7.835
43 H THR 5 HN THR 5 -2.287 5.563 -5.816
44 HA THR 5 HA THR 5 -0.097 4.936 -4.145
45 HB THR 5 HB THR 5 0.386 6.167 -6.149
46 HG1 THR 5 HG1 THR 5 1.078 7.039 -3.802
47 HG21 THR 5 HG21 THR 5 -1.641 8.192 -5.126
48 HG22 THR 5 HG22 THR 5 -1.797 7.174 -6.559
49 HG23 THR 5 HG23 THR 5 -0.586 8.454 -6.513
50 H ILE 6 HN ILE 6 -2.958 6.624 -3.588
51 HA ILE 6 HA ILE 6 -2.058 8.262 -1.373
52 HB ILE 6 HB ILE 6 -4.909 7.535 -2.147
53 HG12 ILE 6 HG12 ILE 6 -4.556 10.103 -3.157
54 HG13 ILE 6 HG11 ILE 6 -2.962 9.431 -3.465
55 HG21 ILE 6 HG21 ILE 6 -3.771 9.882 -0.597
56 HG22 ILE 6 HG22 ILE 6 -4.649 8.523 0.098
57 HG23 ILE 6 HG23 ILE 6 -5.473 9.639 -0.987
58 HD11 ILE 6 HD11 ILE 6 -4.013 7.557 -4.714
59 HD12 ILE 6 HD12 ILE 6 -4.460 9.117 -5.393
60 HD13 ILE 6 HD13 ILE 6 -5.607 8.239 -4.383
61 H LYS 7 HN LYS 7 -2.186 7.743 0.765
62 HA LYS 7 HA LYS 7 -2.482 4.957 1.525
63 HB2 LYS 7 HB2 LYS 7 -2.129 7.406 3.296
64 HB3 LYS 7 HB1 LYS 7 -1.851 5.730 3.759
65 HG2 LYS 7 HG2 LYS 7 -0.278 7.140 1.560
66 HG3 LYS 7 HG1 LYS 7 0.254 7.067 3.236
67 HD2 LYS 7 HD2 LYS 7 0.229 4.564 3.097
68 HD3 LYS 7 HD1 LYS 7 -0.192 4.686 1.392
69 HE2 LYS 7 HE2 LYS 7 2.227 4.370 1.636
70 HE3 LYS 7 HE1 LYS 7 1.882 5.963 0.961
71 HZ1 LYS 7 HZ1 LYS 7 3.361 5.408 3.210
72 HZ2 LYS 7 HZ2 LYS 7 1.892 6.024 3.803
73 HZ3 LYS 7 HZ3 LYS 7 2.817 6.933 2.706
74 H LEU 8 HN LEU 8 -4.846 6.560 0.502
75 HA LEU 8 HA LEU 8 -6.637 7.198 2.440
76 HB2 LEU 8 HB2 LEU 8 -8.320 6.793 0.596
77 HB3 LEU 8 HB1 LEU 8 -6.983 7.781 0.136
78 HG LEU 8 HG LEU 8 -5.925 5.732 -0.880
79 HD11 LEU 8 HD11 LEU 8 -7.815 3.898 -1.461
80 HD12 LEU 8 HD12 LEU 8 -8.436 4.410 0.104
81 HD13 LEU 8 HD13 LEU 8 -6.801 3.773 -0.038
82 HD21 LEU 8 HD21 LEU 8 -7.222 5.811 -2.919
83 HD22 LEU 8 HD22 LEU 8 -7.320 7.417 -2.212
84 HD23 LEU 8 HD23 LEU 8 -8.668 6.297 -2.054
85 HA PRO 9 HA PRO 9 -7.996 3.117 3.826
86 HB2 PRO 9 HB2 PRO 9 -10.447 3.616 4.880
87 HB3 PRO 9 HB1 PRO 9 -8.998 4.398 5.549
88 HG2 PRO 9 HG2 PRO 9 -11.152 5.579 3.852
89 HG3 PRO 9 HG1 PRO 9 -10.113 6.370 5.048
90 HD2 PRO 9 HD2 PRO 9 -9.743 6.323 2.191
91 HD3 PRO 9 HD1 PRO 9 -8.648 7.048 3.362
92 H LYS 10 HN LYS 10 -10.549 4.798 2.050
93 HA LYS 10 HA LYS 10 -10.736 2.983 -0.087
94 HB2 LYS 10 HB2 LYS 10 -13.019 2.065 0.402
95 HB3 LYS 10 HB1 LYS 10 -11.793 1.463 1.517
96 HG2 LYS 10 HG2 LYS 10 -12.485 3.166 3.187
97 HG3 LYS 10 HG1 LYS 10 -13.736 3.736 2.082
98 HD2 LYS 10 HD2 LYS 10 -14.792 1.505 2.106
99 HD3 LYS 10 HD1 LYS 10 -13.548 0.924 3.213
100 HE2 LYS 10 HE2 LYS 10 -14.254 2.590 4.891
101 HE3 LYS 10 HE1 LYS 10 -15.492 3.185 3.785
102 HZ1 LYS 10 HZ1 LYS 10 -15.735 1.121 5.589
103 HZ2 LYS 10 HZ2 LYS 10 -15.653 0.367 4.069
104 HZ3 LYS 10 HZ3 LYS 10 -16.838 1.546 4.374
105 H PHE 11 HN PHE 11 -10.523 5.775 0.553
106 HA PHE 11 HA PHE 11 -12.772 7.344 0.376
107 HB2 PHE 11 HB2 PHE 11 -10.391 8.083 0.648
108 HB3 PHE 11 HB1 PHE 11 -10.166 7.875 -1.065
109 HD1 PHE 11 HD2 PHE 11 -11.453 9.297 -2.708
110 HD2 PHE 11 HD1 PHE 11 -11.613 10.002 1.538
111 HE1 PHE 11 HE2 PHE 11 -12.371 11.565 -3.113
112 HE2 PHE 11 HE1 PHE 11 -12.541 12.266 1.120
113 HZ PHE 11 HZ PHE 11 -12.916 13.045 -1.202
114 H LEU 12 HN LEU 12 -10.757 6.805 -2.513
115 HA LEU 12 HA LEU 12 -12.838 7.415 -4.353
116 HB2 LEU 12 HB2 LEU 12 -10.280 5.798 -4.718
117 HB3 LEU 12 HB1 LEU 12 -11.308 6.296 -6.053
118 HG LEU 12 HG LEU 12 -9.936 8.224 -4.152
119 HD11 LEU 12 HD11 LEU 12 -9.171 7.383 -6.962
120 HD12 LEU 12 HD12 LEU 12 -8.287 6.994 -5.486
121 HD13 LEU 12 HD13 LEU 12 -8.388 8.664 -6.038
122 HD21 LEU 12 HD21 LEU 12 -11.816 9.384 -5.109
123 HD22 LEU 12 HD22 LEU 12 -11.591 8.623 -6.680
124 HD23 LEU 12 HD23 LEU 12 -10.461 9.853 -6.121
125 H GLY 13 HN GLY 13 -11.619 4.436 -2.946
126 HA2 GLY 13 HA2 GLY 13 -12.807 2.510 -4.512
127 HA3 GLY 13 HA1 GLY 13 -12.558 2.333 -2.787
128 H GLY 14 HN GLY 14 -14.351 4.013 -1.641
129 HA2 GLY 14 HA2 GLY 14 -16.882 2.669 -2.142
130 HA3 GLY 14 HA1 GLY 14 -16.551 3.873 -0.905
131 H ILE 15 HN ILE 15 -15.546 5.899 -2.611
132 HA ILE 15 HA ILE 15 -18.017 7.145 -3.431
133 HB ILE 15 HB ILE 15 -15.112 8.003 -3.624
134 HG12 ILE 15 HG12 ILE 15 -17.277 8.878 -1.654
135 HG13 ILE 15 HG11 ILE 15 -16.096 7.623 -1.294
136 HG21 ILE 15 HG21 ILE 15 -16.374 9.301 -5.261
137 HG22 ILE 15 HG22 ILE 15 -16.090 10.337 -3.874
138 HG23 ILE 15 HG23 ILE 15 -17.668 9.588 -4.098
139 HD11 ILE 15 HD11 ILE 15 -15.315 9.733 -0.374
140 HD12 ILE 15 HD12 ILE 15 -15.484 10.519 -1.944
141 HD13 ILE 15 HD13 ILE 15 -14.271 9.262 -1.713
142 H VAL 16 HN VAL 16 -15.019 6.378 -5.245
143 HA VAL 16 HA VAL 16 -15.992 7.193 -7.709
144 HB VAL 16 HB VAL 16 -13.587 6.399 -6.917
145 HG11 VAL 16 HG11 VAL 16 -12.892 4.191 -7.425
146 HG12 VAL 16 HG12 VAL 16 -14.261 3.890 -8.498
147 HG13 VAL 16 HG13 VAL 16 -14.500 3.911 -6.759
148 HG21 VAL 16 HG21 VAL 16 -14.601 6.027 -9.762
149 HG22 VAL 16 HG22 VAL 16 -12.898 6.173 -9.313
150 HG23 VAL 16 HG23 VAL 16 -13.998 7.527 -9.045
151 H ARG 17 HN ARG 17 -16.596 4.165 -6.032
152 HA ARG 17 HA ARG 17 -17.730 2.756 -8.256
153 HB2 ARG 17 HB2 ARG 17 -18.076 2.480 -5.255
154 HB3 ARG 17 HB1 ARG 17 -18.840 1.380 -6.400
155 HG2 ARG 17 HG2 ARG 17 -15.822 1.839 -6.442
156 HG3 ARG 17 HG1 ARG 17 -16.543 0.658 -5.359
157 HD2 ARG 17 HD2 ARG 17 -17.579 -0.473 -7.340
158 HD3 ARG 17 HD1 ARG 17 -16.727 0.652 -8.392
159 HE ARG 17 HE ARG 17 -14.940 -0.662 -6.570
160 HH11 ARG 17 HH21 ARG 17 -16.723 -1.046 -9.526
161 HH12 ARG 17 HH22 ARG 17 -15.642 -2.231 -10.179
162 HH21 ARG 17 HH11 ARG 17 -13.527 -2.207 -7.433
163 HH22 ARG 17 HH12 ARG 17 -13.833 -2.886 -8.996
164 H ALA 18 HN ALA 18 -18.894 5.038 -5.881
165 HA ALA 18 HA ALA 18 -21.670 4.806 -6.442
166 HB1 ALA 18 HB1 ALA 18 -21.944 6.814 -5.171
167 HB2 ALA 18 HB2 ALA 18 -20.316 7.380 -5.544
168 HB3 ALA 18 HB3 ALA 18 -20.547 6.013 -4.453
169 H MET 19 HN MET 19 -19.053 6.754 -7.794
170 HA MET 19 HA MET 19 -20.564 8.431 -9.489
171 HB2 MET 19 HB2 MET 19 -17.799 7.292 -10.011
172 HB3 MET 19 HB1 MET 19 -18.481 8.729 -10.754
173 HG2 MET 19 HG2 MET 19 -18.062 8.436 -7.760
174 HG3 MET 19 HG1 MET 19 -16.887 9.178 -8.832
175 HE1 MET 19 HE1 MET 19 -18.511 10.513 -6.208
176 HE2 MET 19 HE2 MET 19 -18.289 12.129 -6.874
177 HE3 MET 19 HE3 MET 19 -17.017 10.920 -7.061
178 H LEU 20 HN LEU 20 -19.016 5.311 -10.060
179 HA LEU 20 HA LEU 20 -19.897 4.939 -12.745
180 HB2 LEU 20 HB2 LEU 20 -19.030 2.964 -10.607
181 HB3 LEU 20 HB1 LEU 20 -19.214 2.568 -12.303
182 HG LEU 20 HG LEU 20 -17.261 4.604 -11.166
183 HD11 LEU 20 HD11 LEU 20 -16.648 2.275 -10.656
184 HD12 LEU 20 HD12 LEU 20 -15.532 2.977 -11.826
185 HD13 LEU 20 HD13 LEU 20 -16.785 1.860 -12.366
186 HD21 LEU 20 HD21 LEU 20 -17.930 3.835 -14.024
187 HD22 LEU 20 HD22 LEU 20 -16.295 4.362 -13.619
188 HD23 LEU 20 HD23 LEU 20 -17.654 5.437 -13.333
189 H GLY 21 HN GLY 21 -21.138 3.926 -9.601
190 HA2 GLY 21 HA2 GLY 21 -23.274 2.318 -10.505
191 HA3 GLY 21 HA1 GLY 21 -23.189 3.117 -8.937
192 H SER 22 HN SER 22 -22.822 5.735 -10.388
193 HA SER 22 HA SER 22 -25.675 6.398 -10.701
194 HB2 SER 22 HB2 SER 22 -23.203 8.163 -10.704
195 HB3 SER 22 HB1 SER 22 -24.875 8.722 -10.686
196 HG SER 22 HG SER 22 -25.132 7.703 -8.684
197 H PHE 23 HN PHE 23 -22.757 5.996 -12.542
198 HA PHE 23 HA PHE 23 -23.533 7.398 -14.893
199 HB2 PHE 23 HB2 PHE 23 -21.170 6.609 -14.038
200 HB3 PHE 23 HB1 PHE 23 -21.550 5.090 -14.837
201 HD1 PHE 23 HD2 PHE 23 -21.560 8.786 -15.397
202 HD2 PHE 23 HD1 PHE 23 -21.042 4.914 -17.203
203 HE1 PHE 23 HE2 PHE 23 -20.904 9.864 -17.538
204 HE2 PHE 23 HE1 PHE 23 -20.393 5.996 -19.338
205 HZ PHE 23 HZ PHE 23 -20.324 8.469 -19.505
206 H ARG 24 HN ARG 24 -23.490 3.973 -14.003
207 HA ARG 24 HA ARG 24 -24.432 2.113 -14.912
208 HB2 ARG 24 HB2 ARG 24 -26.820 3.924 -15.398
209 HB3 ARG 24 HB1 ARG 24 -26.820 2.203 -15.012
210 HG2 ARG 24 HG2 ARG 24 -25.756 2.774 -12.782
211 HG3 ARG 24 HG1 ARG 24 -25.959 4.472 -13.184
212 HD2 ARG 24 HD2 ARG 24 -27.832 3.788 -11.792
213 HD3 ARG 24 HD1 ARG 24 -28.422 4.100 -13.423
214 HE ARG 24 HE ARG 24 -27.766 1.365 -13.225
215 HH11 ARG 24 HH21 ARG 24 -30.020 3.676 -11.941
216 HH12 ARG 24 HH22 ARG 24 -31.285 2.514 -11.710
217 HH21 ARG 24 HH11 ARG 24 -29.425 -0.149 -12.925
218 HH22 ARG 24 HH12 ARG 24 -30.946 0.351 -12.266
219 H LYS 25 HN LYS 25 -22.974 2.083 -16.735
220 HA LYS 25 HA LYS 25 -23.539 3.248 -19.249
221 HB2 LYS 25 HB2 LYS 25 -21.333 2.320 -18.563
222 HB3 LYS 25 HB1 LYS 25 -22.007 0.695 -18.649
223 HG2 LYS 25 HG2 LYS 25 -22.462 0.979 -21.054
224 HG3 LYS 25 HG1 LYS 25 -21.877 2.642 -20.983
225 HD2 LYS 25 HD2 LYS 25 -19.640 1.836 -20.327
226 HD3 LYS 25 HD1 LYS 25 -20.218 0.170 -20.368
227 HE2 LYS 25 HE2 LYS 25 -19.032 0.729 -22.454
228 HE3 LYS 25 HE1 LYS 25 -20.737 0.415 -22.777
229 HZ1 LYS 25 HZ1 LYS 25 -20.980 2.460 -23.551
230 HZ2 LYS 25 HZ2 LYS 25 -19.303 2.688 -23.412
231 HZ3 LYS 25 HZ3 LYS 25 -20.334 3.145 -22.141
232 H ASP 26 HN ASP 26 -24.312 0.052 -17.890
233 HA ASP 26 HA ASP 26 -26.737 -0.192 -19.384
234 HB2 ASP 26 HB2 ASP 26 -26.089 -2.101 -20.805
235 HB3 ASP 26 HB1 ASP 26 -25.182 -0.656 -21.233
Start of MODEL 2
1 H1 MET 1 HT1 MET 1 -10.427 1.796 -10.463
2 H2 MET 1 HT2 MET 1 -11.784 1.827 -11.485
3 H3 MET 1 HT3 MET 1 -10.895 3.247 -11.204
4 HA MET 1 HA MET 1 -9.817 0.833 -12.551
5 HB2 MET 1 HB2 MET 1 -9.944 2.334 -14.612
6 HB3 MET 1 HB1 MET 1 -11.507 1.802 -13.997
7 HG2 MET 1 HG2 MET 1 -11.827 3.944 -12.847
8 HG3 MET 1 HG1 MET 1 -10.226 4.482 -13.352
9 HE1 MET 1 HE1 MET 1 -12.882 6.165 -13.903
10 HE2 MET 1 HE2 MET 1 -12.400 6.765 -15.488
11 HE3 MET 1 HE3 MET 1 -11.192 6.586 -14.218
12 H LYS 2 HN LYS 2 -8.646 2.155 -10.333
13 HA LYS 2 HA LYS 2 -6.089 2.870 -11.437
14 HB2 LYS 2 HB2 LYS 2 -7.338 5.000 -11.749
15 HB3 LYS 2 HB1 LYS 2 -7.662 5.051 -10.018
16 HG2 LYS 2 HG2 LYS 2 -5.251 5.176 -9.540
17 HG3 LYS 2 HG1 LYS 2 -4.882 5.024 -11.258
18 HD2 LYS 2 HD2 LYS 2 -6.098 7.139 -11.697
19 HD3 LYS 2 HD1 LYS 2 -6.444 7.290 -9.975
20 HE2 LYS 2 HE2 LYS 2 -4.028 7.391 -9.490
21 HE3 LYS 2 HE1 LYS 2 -3.671 7.219 -11.210
22 HZ1 LYS 2 HZ1 LYS 2 -4.969 9.474 -9.814
23 HZ2 LYS 2 HZ2 LYS 2 -5.153 9.251 -11.488
24 HZ3 LYS 2 HZ3 LYS 2 -3.608 9.500 -10.825
25 H PHE 3 HN PHE 3 -4.568 2.263 -10.006
26 HA PHE 3 HA PHE 3 -5.330 1.229 -7.409
27 HB2 PHE 3 HB2 PHE 3 -2.944 0.582 -7.270
28 HB3 PHE 3 HB1 PHE 3 -3.682 0.049 -8.777
29 HD1 PHE 3 HD2 PHE 3 -1.360 2.526 -7.254
30 HD2 PHE 3 HD1 PHE 3 -3.049 1.053 -10.929
31 HE1 PHE 3 HE2 PHE 3 0.327 3.801 -8.549
32 HE2 PHE 3 HE1 PHE 3 -1.364 2.333 -12.213
33 HZ PHE 3 HZ PHE 3 0.325 3.705 -11.027
34 H TYR 4 HN TYR 4 -3.389 1.713 -5.726
35 HA TYR 4 HA TYR 4 -2.730 4.552 -5.495
36 HB2 TYR 4 HB2 TYR 4 -3.833 4.803 -3.294
37 HB3 TYR 4 HB1 TYR 4 -5.011 4.515 -4.575
38 HD1 TYR 4 HD2 TYR 4 -3.165 2.932 -1.753
39 HD2 TYR 4 HD1 TYR 4 -6.364 2.475 -4.596
40 HE1 TYR 4 HE2 TYR 4 -3.981 0.948 -0.527
41 HE2 TYR 4 HE1 TYR 4 -7.171 0.489 -3.365
42 HH TYR 4 HH TYR 4 -6.996 -0.374 -0.942
43 H THR 5 HN THR 5 -1.336 4.978 -3.706
44 HA THR 5 HA THR 5 0.065 2.635 -2.518
45 HB THR 5 HB THR 5 2.174 3.848 -2.866
46 HG1 THR 5 HG1 THR 5 0.891 5.915 -3.013
47 HG21 THR 5 HG21 THR 5 2.325 3.562 -5.311
48 HG22 THR 5 HG22 THR 5 0.564 3.522 -5.412
49 HG23 THR 5 HG23 THR 5 1.430 2.232 -4.574
50 H ILE 6 HN ILE 6 -1.620 5.391 -2.179
51 HA ILE 6 HA ILE 6 -0.455 6.598 0.154
52 HB ILE 6 HB ILE 6 -3.198 6.821 -1.105
53 HG12 ILE 6 HG12 ILE 6 -1.241 9.045 -1.591
54 HG13 ILE 6 HG11 ILE 6 -0.815 7.542 -2.387
55 HG21 ILE 6 HG21 ILE 6 -1.778 8.726 0.775
56 HG22 ILE 6 HG22 ILE 6 -3.154 7.711 1.192
57 HG23 ILE 6 HG23 ILE 6 -3.349 9.008 0.025
58 HD11 ILE 6 HD11 ILE 6 -2.228 8.978 -3.822
59 HD12 ILE 6 HD12 ILE 6 -3.518 8.899 -2.619
60 HD13 ILE 6 HD13 ILE 6 -3.007 7.434 -3.467
61 H LYS 7 HN LYS 7 -1.186 6.364 2.274
62 HA LYS 7 HA LYS 7 -2.407 3.826 3.003
63 HB2 LYS 7 HB2 LYS 7 -1.546 6.242 4.631
64 HB3 LYS 7 HB1 LYS 7 -2.055 4.695 5.318
65 HG2 LYS 7 HG2 LYS 7 -0.210 3.549 4.161
66 HG3 LYS 7 HG1 LYS 7 0.299 5.071 3.426
67 HD2 LYS 7 HD2 LYS 7 0.733 6.022 5.652
68 HD3 LYS 7 HD1 LYS 7 0.203 4.520 6.411
69 HE2 LYS 7 HE2 LYS 7 2.666 4.604 6.262
70 HE3 LYS 7 HE1 LYS 7 2.022 3.296 5.269
71 HZ1 LYS 7 HZ1 LYS 7 3.763 4.844 4.250
72 HZ2 LYS 7 HZ2 LYS 7 2.500 5.975 4.127
73 HZ3 LYS 7 HZ3 LYS 7 2.388 4.479 3.329
74 H LEU 8 HN LEU 8 -3.964 5.988 1.513
75 HA LEU 8 HA LEU 8 -5.786 7.268 3.068
76 HB2 LEU 8 HB2 LEU 8 -7.167 7.224 0.927
77 HB3 LEU 8 HB1 LEU 8 -5.559 7.832 0.759
78 HG LEU 8 HG LEU 8 -4.869 5.548 -0.065
79 HD11 LEU 8 HD11 LEU 8 -6.928 4.175 -1.003
80 HD12 LEU 8 HD12 LEU 8 -7.786 4.955 0.322
81 HD13 LEU 8 HD13 LEU 8 -6.383 3.947 0.647
82 HD21 LEU 8 HD21 LEU 8 -7.099 6.830 -1.654
83 HD22 LEU 8 HD22 LEU 8 -5.805 5.848 -2.311
84 HD23 LEU 8 HD23 LEU 8 -5.451 7.430 -1.625
85 HA PRO 9 HA PRO 9 -8.680 3.893 4.054
86 HB2 PRO 9 HB2 PRO 9 -10.695 5.296 5.070
87 HB3 PRO 9 HB1 PRO 9 -9.058 5.590 5.702
88 HG2 PRO 9 HG2 PRO 9 -10.700 7.304 3.872
89 HG3 PRO 9 HG1 PRO 9 -9.467 7.789 5.053
90 HD2 PRO 9 HD2 PRO 9 -9.102 7.288 2.186
91 HD3 PRO 9 HD1 PRO 9 -7.889 7.866 3.338
92 H LYS 10 HN LYS 10 -8.740 3.651 1.449
93 HA LYS 10 HA LYS 10 -9.944 3.212 -0.452
94 HB2 LYS 10 HB2 LYS 10 -12.189 2.975 1.587
95 HB3 LYS 10 HB1 LYS 10 -12.323 2.475 -0.098
96 HG2 LYS 10 HG2 LYS 10 -10.443 0.895 0.224
97 HG3 LYS 10 HG1 LYS 10 -10.330 1.381 1.916
98 HD2 LYS 10 HD2 LYS 10 -12.634 0.597 2.310
99 HD3 LYS 10 HD1 LYS 10 -12.774 0.127 0.616
100 HE2 LYS 10 HE2 LYS 10 -10.890 -1.461 0.912
101 HE3 LYS 10 HE1 LYS 10 -10.789 -1.009 2.613
102 HZ1 LYS 10 HZ1 LYS 10 -12.853 -2.552 1.215
103 HZ2 LYS 10 HZ2 LYS 10 -13.309 -1.625 2.564
104 HZ3 LYS 10 HZ3 LYS 10 -12.128 -2.837 2.720
105 H PHE 11 HN PHE 11 -9.396 5.793 -0.360
106 HA PHE 11 HA PHE 11 -11.459 7.669 -0.226
107 HB2 PHE 11 HB2 PHE 11 -8.928 8.038 -0.500
108 HB3 PHE 11 HB1 PHE 11 -9.163 7.815 -2.205
109 HD1 PHE 11 HD1 PHE 11 -10.968 9.286 -3.411
110 HD2 PHE 11 HD2 PHE 11 -9.256 10.230 0.448
111 HE1 PHE 11 HE1 PHE 11 -11.673 11.648 -3.655
112 HE2 PHE 11 HE2 PHE 11 -9.985 12.585 0.179
113 HZ PHE 11 HZ PHE 11 -11.188 13.292 -1.866
114 H LEU 12 HN LEU 12 -10.045 6.712 -3.315
115 HA LEU 12 HA LEU 12 -12.365 7.311 -4.842
116 HB2 LEU 12 HB2 LEU 12 -9.846 5.719 -5.437
117 HB3 LEU 12 HB1 LEU 12 -11.046 6.087 -6.664
118 HG LEU 12 HG LEU 12 -9.543 8.185 -5.052
119 HD11 LEU 12 HD11 LEU 12 -9.101 7.213 -7.894
120 HD12 LEU 12 HD12 LEU 12 -8.020 6.948 -6.527
121 HD13 LEU 12 HD13 LEU 12 -8.269 8.579 -7.149
122 HD21 LEU 12 HD21 LEU 12 -11.590 8.366 -7.298
123 HD22 LEU 12 HD22 LEU 12 -10.398 9.647 -7.089
124 HD23 LEU 12 HD23 LEU 12 -11.518 9.282 -5.794
125 H GLY 13 HN GLY 13 -11.011 4.393 -3.434
126 HA2 GLY 13 HA2 GLY 13 -12.457 2.409 -4.690
127 HA3 GLY 13 HA1 GLY 13 -11.959 2.341 -3.008
128 H GLY 14 HN GLY 14 -13.532 4.359 -1.896
129 HA2 GLY 14 HA2 GLY 14 -16.140 3.045 -1.800
130 HA3 GLY 14 HA1 GLY 14 -15.592 4.387 -0.806
131 H ILE 15 HN ILE 15 -14.842 6.197 -2.753
132 HA ILE 15 HA ILE 15 -17.373 7.380 -3.449
133 HB ILE 15 HB ILE 15 -14.498 8.148 -4.034
134 HG12 ILE 15 HG12 ILE 15 -16.442 9.324 -1.995
135 HG13 ILE 15 HG11 ILE 15 -15.270 8.069 -1.597
136 HG21 ILE 15 HG21 ILE 15 -15.513 10.482 -4.439
137 HG22 ILE 15 HG22 ILE 15 -17.081 9.686 -4.522
138 HG23 ILE 15 HG23 ILE 15 -15.827 9.293 -5.699
139 HD11 ILE 15 HD11 ILE 15 -14.602 10.821 -2.682
140 HD12 ILE 15 HD12 ILE 15 -13.431 9.547 -2.340
141 HD13 ILE 15 HD13 ILE 15 -14.359 10.268 -1.024
142 H VAL 16 HN VAL 16 -14.629 6.283 -5.456
143 HA VAL 16 HA VAL 16 -15.863 6.866 -7.890
144 HB VAL 16 HB VAL 16 -13.381 6.101 -7.256
145 HG11 VAL 16 HG11 VAL 16 -14.271 3.672 -6.780
146 HG12 VAL 16 HG12 VAL 16 -12.778 3.842 -7.700
147 HG13 VAL 16 HG13 VAL 16 -14.296 3.498 -8.530
148 HG21 VAL 16 HG21 VAL 16 -12.915 5.699 -9.654
149 HG22 VAL 16 HG22 VAL 16 -14.011 7.061 -9.421
150 HG23 VAL 16 HG23 VAL 16 -14.643 5.499 -9.950
151 H ARG 17 HN ARG 17 -16.282 4.112 -5.754
152 HA ARG 17 HA ARG 17 -17.589 2.369 -7.548
153 HB2 ARG 17 HB2 ARG 17 -16.729 1.659 -5.356
154 HB3 ARG 17 HB1 ARG 17 -17.862 2.736 -4.552
155 HG2 ARG 17 HG2 ARG 17 -18.660 0.425 -4.493
156 HG3 ARG 17 HG1 ARG 17 -19.759 1.415 -5.428
157 HD2 ARG 17 HD2 ARG 17 -18.982 0.466 -7.502
158 HD3 ARG 17 HD1 ARG 17 -17.557 -0.237 -6.729
159 HE ARG 17 HE ARG 17 -19.801 -1.331 -5.470
160 HH11 ARG 17 HH21 ARG 17 -18.341 -1.256 -8.622
161 HH12 ARG 17 HH22 ARG 17 -18.954 -2.809 -9.086
162 HH21 ARG 17 HH11 ARG 17 -20.612 -3.348 -6.089
163 HH22 ARG 17 HH12 ARG 17 -20.249 -3.986 -7.658
164 H ALA 18 HN ALA 18 -18.630 5.031 -5.505
165 HA ALA 18 HA ALA 18 -21.415 4.761 -5.890
166 HB1 ALA 18 HB1 ALA 18 -19.968 7.409 -5.500
167 HB2 ALA 18 HB2 ALA 18 -20.232 6.265 -4.186
168 HB3 ALA 18 HB3 ALA 18 -21.611 6.992 -5.011
169 H MET 19 HN MET 19 -18.882 6.443 -7.681
170 HA MET 19 HA MET 19 -20.498 7.811 -9.564
171 HB2 MET 19 HB2 MET 19 -17.728 6.659 -10.026
172 HB3 MET 19 HB1 MET 19 -18.479 7.949 -10.943
173 HG2 MET 19 HG2 MET 19 -17.915 8.124 -7.963
174 HG3 MET 19 HG1 MET 19 -16.814 8.721 -9.196
175 HE1 MET 19 HE1 MET 19 -17.709 10.339 -6.923
176 HE2 MET 19 HE2 MET 19 -18.212 11.886 -7.605
177 HE3 MET 19 HE3 MET 19 -16.778 11.077 -8.233
178 H LEU 20 HN LEU 20 -19.013 4.601 -9.633
179 HA LEU 20 HA LEU 20 -19.834 3.878 -12.248
180 HB2 LEU 20 HB2 LEU 20 -19.109 2.198 -9.836
181 HB3 LEU 20 HB1 LEU 20 -19.310 1.548 -11.448
182 HG LEU 20 HG LEU 20 -17.271 3.635 -10.635
183 HD11 LEU 20 HD11 LEU 20 -16.724 1.453 -9.727
184 HD12 LEU 20 HD12 LEU 20 -15.616 1.825 -11.046
185 HD13 LEU 20 HD13 LEU 20 -16.951 0.700 -11.306
186 HD21 LEU 20 HD21 LEU 20 -17.560 4.160 -12.884
187 HD22 LEU 20 HD22 LEU 20 -17.991 2.507 -13.342
188 HD23 LEU 20 HD23 LEU 20 -16.309 2.927 -13.014
189 H GLY 21 HN GLY 21 -21.319 3.319 -9.080
190 HA2 GLY 21 HA2 GLY 21 -23.444 1.685 -9.982
191 HA3 GLY 21 HA1 GLY 21 -23.467 2.668 -8.517
192 H SER 22 HN SER 22 -22.907 5.129 -10.029
193 HA SER 22 HA SER 22 -25.650 5.856 -10.700
194 HB2 SER 22 HB2 SER 22 -23.078 7.459 -10.950
195 HB3 SER 22 HB1 SER 22 -24.716 8.096 -11.072
196 HG SER 22 HG SER 22 -23.956 6.603 -8.815
197 H PHE 23 HN PHE 23 -22.535 5.682 -12.380
198 HA PHE 23 HA PHE 23 -23.473 6.352 -14.941
199 HB2 PHE 23 HB2 PHE 23 -21.088 6.376 -14.032
200 HB3 PHE 23 HB1 PHE 23 -21.051 4.637 -14.273
201 HD1 PHE 23 HD2 PHE 23 -21.853 7.834 -16.026
202 HD2 PHE 23 HD1 PHE 23 -20.402 3.805 -16.454
203 HE1 PHE 23 HE2 PHE 23 -21.328 8.267 -18.421
204 HE2 PHE 23 HE1 PHE 23 -19.882 4.242 -18.837
205 HZ PHE 23 HZ PHE 23 -20.346 6.470 -19.821
206 H ARG 24 HN ARG 24 -22.193 3.152 -14.024
207 HA ARG 24 HA ARG 24 -22.516 1.119 -15.132
208 HB2 ARG 24 HB2 ARG 24 -24.706 0.139 -14.318
209 HB3 ARG 24 HB1 ARG 24 -23.703 0.859 -13.060
210 HG2 ARG 24 HG2 ARG 24 -25.046 2.898 -13.080
211 HG3 ARG 24 HG1 ARG 24 -26.000 2.300 -14.431
212 HD2 ARG 24 HD2 ARG 24 -26.819 0.436 -13.038
213 HD3 ARG 24 HD1 ARG 24 -25.837 1.008 -11.693
214 HE ARG 24 HE ARG 24 -27.423 2.649 -11.274
215 HH11 ARG 24 HH21 ARG 24 -27.877 1.348 -14.460
216 HH12 ARG 24 HH22 ARG 24 -29.387 2.155 -14.722
217 HH21 ARG 24 HH11 ARG 24 -29.391 3.724 -11.629
218 HH22 ARG 24 HH12 ARG 24 -30.239 3.502 -13.123
219 H LYS 25 HN LYS 25 -22.688 2.883 -17.156
220 HA LYS 25 HA LYS 25 -25.098 2.917 -18.625
221 HB2 LYS 25 HB2 LYS 25 -23.142 4.411 -19.010
222 HB3 LYS 25 HB1 LYS 25 -22.249 3.046 -19.673
223 HG2 LYS 25 HG2 LYS 25 -23.928 2.793 -21.468
224 HG3 LYS 25 HG1 LYS 25 -24.869 4.119 -20.783
225 HD2 LYS 25 HD2 LYS 25 -22.964 5.656 -21.150
226 HD3 LYS 25 HD1 LYS 25 -22.029 4.330 -21.843
227 HE2 LYS 25 HE2 LYS 25 -23.739 4.073 -23.624
228 HE3 LYS 25 HE1 LYS 25 -24.640 5.428 -22.939
229 HZ1 LYS 25 HZ1 LYS 25 -22.001 6.248 -23.234
230 HZ2 LYS 25 HZ2 LYS 25 -23.360 6.788 -24.100
231 HZ3 LYS 25 HZ3 LYS 25 -22.437 5.488 -24.686
232 H ASP 26 HN ASP 26 -26.019 1.472 -20.002
233 HA ASP 26 HA ASP 26 -25.348 -1.256 -19.908
234 HB2 ASP 26 HB2 ASP 26 -26.995 -1.518 -21.729
235 HB3 ASP 26 HB1 ASP 26 -27.603 -0.465 -20.455
Start of MODEL 3
1 H1 MET 1 HT1 MET 1 4.172 -1.310 -5.192
2 H2 MET 1 HT2 MET 1 3.275 -0.499 -6.385
3 H3 MET 1 HT3 MET 1 4.360 -1.730 -6.825
4 HA MET 1 HA MET 1 2.539 -3.017 -6.870
5 HB2 MET 1 HB2 MET 1 3.040 -2.717 -3.883
6 HB3 MET 1 HB1 MET 1 2.049 -3.992 -4.591
7 HG2 MET 1 HG2 MET 1 3.987 -4.779 -5.899
8 HG3 MET 1 HG1 MET 1 4.984 -3.507 -5.191
9 HE1 MET 1 HE1 MET 1 6.761 -4.942 -4.263
10 HE2 MET 1 HE2 MET 1 6.030 -6.349 -5.030
11 HE3 MET 1 HE3 MET 1 6.528 -6.434 -3.343
12 H LYS 2 HN LYS 2 2.060 -0.544 -4.339
13 HA LYS 2 HA LYS 2 -0.792 -0.645 -4.369
14 HB2 LYS 2 HB2 LYS 2 1.122 1.558 -3.517
15 HB3 LYS 2 HB1 LYS 2 -0.611 1.561 -3.188
16 HG2 LYS 2 HG2 LYS 2 -0.382 -0.547 -1.924
17 HG3 LYS 2 HG1 LYS 2 1.351 -0.562 -2.252
18 HD2 LYS 2 HD2 LYS 2 1.603 1.581 -1.048
19 HD3 LYS 2 HD1 LYS 2 -0.130 1.606 -0.722
20 HE2 LYS 2 HE2 LYS 2 0.075 -0.501 0.550
21 HE3 LYS 2 HE1 LYS 2 1.809 -0.530 0.223
22 HZ1 LYS 2 HZ1 LYS 2 0.907 0.493 2.417
23 HZ2 LYS 2 HZ2 LYS 2 0.617 1.858 1.448
24 HZ3 LYS 2 HZ3 LYS 2 2.193 1.240 1.600
25 H PHE 3 HN PHE 3 -2.109 0.017 -5.973
26 HA PHE 3 HA PHE 3 -1.207 1.364 -8.303
27 HB2 PHE 3 HB2 PHE 3 -3.185 -0.146 -8.204
28 HB3 PHE 3 HB1 PHE 3 -4.042 1.057 -7.247
29 HD1 PHE 3 HD2 PHE 3 -4.689 3.260 -8.254
30 HD2 PHE 3 HD1 PHE 3 -2.841 0.173 -10.619
31 HE1 PHE 3 HE2 PHE 3 -5.388 4.420 -10.328
32 HE2 PHE 3 HE1 PHE 3 -3.542 1.344 -12.687
33 HZ PHE 3 HZ PHE 3 -4.813 3.467 -12.541
34 H TYR 4 HN TYR 4 -3.184 2.442 -5.557
35 HA TYR 4 HA TYR 4 -3.362 5.179 -6.406
36 HB2 TYR 4 HB2 TYR 4 -4.059 5.327 -3.767
37 HB3 TYR 4 HB1 TYR 4 -5.160 4.754 -5.008
38 HD1 TYR 4 HD2 TYR 4 -2.731 3.638 -2.402
39 HD2 TYR 4 HD1 TYR 4 -5.897 2.433 -5.049
40 HE1 TYR 4 HE2 TYR 4 -2.874 1.469 -1.243
41 HE2 TYR 4 HE1 TYR 4 -6.032 0.257 -3.885
42 HH TYR 4 HH TYR 4 -5.062 -1.089 -2.386
43 H THR 5 HN THR 5 -1.269 3.454 -4.159
44 HA THR 5 HA THR 5 0.682 3.985 -3.152
45 HB THR 5 HB THR 5 2.130 5.637 -4.079
46 HG1 THR 5 HG1 THR 5 0.623 7.323 -4.231
47 HG21 THR 5 HG21 THR 5 2.095 5.047 -6.469
48 HG22 THR 5 HG22 THR 5 0.459 4.419 -6.283
49 HG23 THR 5 HG23 THR 5 1.805 3.638 -5.453
50 H ILE 6 HN ILE 6 -2.007 5.237 -2.550
51 HA ILE 6 HA ILE 6 -1.131 7.272 -0.548
52 HB ILE 6 HB ILE 6 -3.774 7.026 -2.014
53 HG12 ILE 6 HG12 ILE 6 -1.918 9.415 -2.337
54 HG13 ILE 6 HG11 ILE 6 -1.593 7.973 -3.278
55 HG21 ILE 6 HG21 ILE 6 -2.773 9.172 -0.108
56 HG22 ILE 6 HG22 ILE 6 -3.998 7.973 0.280
57 HG23 ILE 6 HG23 ILE 6 -4.322 9.191 -0.945
58 HD11 ILE 6 HD11 ILE 6 -3.044 9.592 -4.483
59 HD12 ILE 6 HD12 ILE 6 -4.278 9.382 -3.235
60 HD13 ILE 6 HD13 ILE 6 -3.805 8.017 -4.256
61 H LYS 7 HN LYS 7 -1.782 6.856 1.550
62 HA LYS 7 HA LYS 7 -2.764 4.217 2.210
63 HB2 LYS 7 HB2 LYS 7 -2.250 6.682 3.906
64 HB3 LYS 7 HB1 LYS 7 -2.596 5.073 4.545
65 HG2 LYS 7 HG2 LYS 7 -0.594 4.175 3.428
66 HG3 LYS 7 HG1 LYS 7 -0.243 5.765 2.745
67 HD2 LYS 7 HD2 LYS 7 -0.006 6.699 5.010
68 HD3 LYS 7 HD1 LYS 7 -0.365 5.120 5.710
69 HE2 LYS 7 HE2 LYS 7 1.632 4.174 4.592
70 HE3 LYS 7 HE1 LYS 7 1.994 5.761 3.910
71 HZ1 LYS 7 HZ1 LYS 7 2.440 4.764 6.566
72 HZ2 LYS 7 HZ2 LYS 7 1.677 6.281 6.544
73 HZ3 LYS 7 HZ3 LYS 7 3.170 6.066 5.762
74 H LEU 8 HN LEU 8 -4.570 6.207 0.708
75 HA LEU 8 HA LEU 8 -6.602 7.118 2.315
76 HB2 LEU 8 HB2 LEU 8 -7.911 7.097 0.153
77 HB3 LEU 8 HB1 LEU 8 -6.391 7.902 0.058
78 HG LEU 8 HG LEU 8 -5.432 5.736 -0.899
79 HD11 LEU 8 HD11 LEU 8 -7.412 4.334 -2.066
80 HD12 LEU 8 HD12 LEU 8 -8.285 4.859 -0.633
81 HD13 LEU 8 HD13 LEU 8 -6.800 3.938 -0.471
82 HD21 LEU 8 HD21 LEU 8 -6.079 7.692 -2.331
83 HD22 LEU 8 HD22 LEU 8 -7.681 6.991 -2.498
84 HD23 LEU 8 HD23 LEU 8 -6.289 6.151 -3.161
85 HA PRO 9 HA PRO 9 -8.940 3.258 2.916
86 HB2 PRO 9 HB2 PRO 9 -11.136 4.223 4.041
87 HB3 PRO 9 HB1 PRO 9 -9.565 4.740 4.700
88 HG2 PRO 9 HG2 PRO 9 -11.470 6.273 2.955
89 HG3 PRO 9 HG1 PRO 9 -10.394 6.874 4.232
90 HD2 PRO 9 HD2 PRO 9 -9.840 6.737 1.369
91 HD3 PRO 9 HD1 PRO 9 -8.761 7.346 2.633
92 H LYS 10 HN LYS 10 -8.976 3.204 0.312
93 HA LYS 10 HA LYS 10 -10.115 2.770 -1.634
94 HB2 LYS 10 HB2 LYS 10 -12.310 2.062 0.350
95 HB3 LYS 10 HB1 LYS 10 -12.342 1.657 -1.365
96 HG2 LYS 10 HG2 LYS 10 -10.250 0.357 -1.096
97 HG3 LYS 10 HG1 LYS 10 -10.229 0.757 0.623
98 HD2 LYS 10 HD2 LYS 10 -12.431 -0.378 0.895
99 HD3 LYS 10 HD1 LYS 10 -12.398 -0.814 -0.815
100 HE2 LYS 10 HE2 LYS 10 -10.365 -1.661 1.275
101 HE3 LYS 10 HE1 LYS 10 -11.603 -2.694 0.558
102 HZ1 LYS 10 HZ1 LYS 10 -9.904 -3.179 -0.828
103 HZ2 LYS 10 HZ2 LYS 10 -9.119 -1.690 -0.591
104 HZ3 LYS 10 HZ3 LYS 10 -10.456 -1.793 -1.636
105 H PHE 11 HN PHE 11 -9.923 5.365 -1.338
106 HA PHE 11 HA PHE 11 -12.164 6.958 -0.997
107 HB2 PHE 11 HB2 PHE 11 -9.720 7.638 -1.310
108 HB3 PHE 11 HB1 PHE 11 -9.984 7.550 -3.021
109 HD1 PHE 11 HD1 PHE 11 -12.074 8.930 -3.991
110 HD2 PHE 11 HD2 PHE 11 -10.181 9.690 -0.167
111 HE1 PHE 11 HE1 PHE 11 -13.027 11.208 -3.949
112 HE2 PHE 11 HE2 PHE 11 -11.157 11.965 -0.161
113 HZ PHE 11 HZ PHE 11 -12.570 12.723 -2.046
114 H LEU 12 HN LEU 12 -10.864 6.657 -4.278
115 HA LEU 12 HA LEU 12 -13.343 7.096 -5.526
116 HB2 LEU 12 HB2 LEU 12 -10.775 5.802 -6.520
117 HB3 LEU 12 HB1 LEU 12 -12.099 6.229 -7.587
118 HG LEU 12 HG LEU 12 -10.621 8.227 -5.833
119 HD11 LEU 12 HD11 LEU 12 -9.531 8.963 -7.944
120 HD12 LEU 12 HD12 LEU 12 -10.318 7.636 -8.798
121 HD13 LEU 12 HD13 LEU 12 -9.124 7.294 -7.547
122 HD21 LEU 12 HD21 LEU 12 -11.712 9.854 -7.594
123 HD22 LEU 12 HD22 LEU 12 -12.735 9.221 -6.323
124 HD23 LEU 12 HD23 LEU 12 -12.811 8.518 -7.935
125 H GLY 13 HN GLY 13 -11.687 4.214 -4.484
126 HA2 GLY 13 HA2 GLY 13 -13.010 2.208 -5.840
127 HA3 GLY 13 HA1 GLY 13 -12.433 2.064 -4.184
128 H GLY 14 HN GLY 14 -14.084 3.923 -2.912
129 HA2 GLY 14 HA2 GLY 14 -16.610 2.454 -2.778
130 HA3 GLY 14 HA1 GLY 14 -16.076 3.746 -1.713
131 H ILE 15 HN ILE 15 -15.604 5.823 -3.390
132 HA ILE 15 HA ILE 15 -18.243 6.793 -3.932
133 HB ILE 15 HB ILE 15 -15.465 7.947 -4.380
134 HG12 ILE 15 HG12 ILE 15 -16.561 9.667 -2.604
135 HG13 ILE 15 HG11 ILE 15 -17.623 8.316 -2.247
136 HG21 ILE 15 HG21 ILE 15 -18.147 9.173 -5.116
137 HG22 ILE 15 HG22 ILE 15 -16.702 9.019 -6.119
138 HG23 ILE 15 HG23 ILE 15 -16.730 10.175 -4.792
139 HD11 ILE 15 HD11 ILE 15 -15.631 6.916 -1.766
140 HD12 ILE 15 HD12 ILE 15 -15.685 8.345 -0.745
141 HD13 ILE 15 HD13 ILE 15 -14.591 8.294 -2.129
142 H VAL 16 HN VAL 16 -15.552 5.942 -6.141
143 HA VAL 16 HA VAL 16 -16.840 6.832 -8.447
144 HB VAL 16 HB VAL 16 -14.408 5.935 -8.061
145 HG11 VAL 16 HG11 VAL 16 -13.898 3.670 -8.550
146 HG12 VAL 16 HG12 VAL 16 -15.443 3.393 -9.358
147 HG13 VAL 16 HG13 VAL 16 -15.383 3.511 -7.608
148 HG21 VAL 16 HG21 VAL 16 -15.126 6.982 -10.142
149 HG22 VAL 16 HG22 VAL 16 -15.877 5.472 -10.671
150 HG23 VAL 16 HG23 VAL 16 -14.123 5.575 -10.507
151 H ARG 17 HN ARG 17 -17.361 3.868 -6.642
152 HA ARG 17 HA ARG 17 -18.894 2.492 -8.641
153 HB2 ARG 17 HB2 ARG 17 -18.822 2.305 -5.607
154 HB3 ARG 17 HB1 ARG 17 -19.804 1.235 -6.608
155 HG2 ARG 17 HG2 ARG 17 -17.788 0.440 -7.777
156 HG3 ARG 17 HG1 ARG 17 -16.787 1.537 -6.830
157 HD2 ARG 17 HD2 ARG 17 -17.469 0.381 -4.758
158 HD3 ARG 17 HD1 ARG 17 -18.486 -0.709 -5.697
159 HE ARG 17 HE ARG 17 -15.881 -0.856 -6.737
160 HH11 ARG 17 HH21 ARG 17 -17.618 -1.575 -3.816
161 HH12 ARG 17 HH22 ARG 17 -16.592 -2.897 -3.373
162 HH21 ARG 17 HH11 ARG 17 -14.540 -2.591 -6.149
163 HH22 ARG 17 HH12 ARG 17 -14.849 -3.465 -4.685
164 H ALA 18 HN ALA 18 -19.562 4.887 -6.157
165 HA ALA 18 HA ALA 18 -22.400 4.826 -6.329
166 HB1 ALA 18 HB1 ALA 18 -22.380 6.925 -5.150
167 HB2 ALA 18 HB2 ALA 18 -20.739 7.291 -5.675
168 HB3 ALA 18 HB3 ALA 18 -21.026 5.987 -4.523
169 H MET 19 HN MET 19 -19.899 6.594 -8.092
170 HA MET 19 HA MET 19 -21.545 8.324 -9.596
171 HB2 MET 19 HB2 MET 19 -18.959 7.009 -10.492
172 HB3 MET 19 HB1 MET 19 -19.660 8.475 -11.159
173 HG2 MET 19 HG2 MET 19 -18.831 8.223 -8.245
174 HG3 MET 19 HG1 MET 19 -17.760 8.822 -9.501
175 HE1 MET 19 HE1 MET 19 -17.475 11.555 -9.288
176 HE2 MET 19 HE2 MET 19 -17.492 10.596 -7.810
177 HE3 MET 19 HE3 MET 19 -18.387 12.115 -7.878
178 H LEU 20 HN LEU 20 -20.262 5.116 -10.320
179 HA LEU 20 HA LEU 20 -21.522 4.771 -12.845
180 HB2 LEU 20 HB2 LEU 20 -20.470 2.768 -10.824
181 HB3 LEU 20 HB1 LEU 20 -20.909 2.368 -12.472
182 HG LEU 20 HG LEU 20 -18.724 4.317 -11.655
183 HD11 LEU 20 HD11 LEU 20 -18.544 1.536 -12.851
184 HD12 LEU 20 HD12 LEU 20 -18.156 1.965 -11.184
185 HD13 LEU 20 HD13 LEU 20 -17.179 2.597 -12.509
186 HD21 LEU 20 HD21 LEU 20 -18.118 3.987 -14.212
187 HD22 LEU 20 HD22 LEU 20 -19.368 5.134 -13.765
188 HD23 LEU 20 HD23 LEU 20 -19.819 3.538 -14.375
189 H GLY 21 HN GLY 21 -22.390 3.815 -9.560
190 HA2 GLY 21 HA2 GLY 21 -24.694 2.312 -10.179
191 HA3 GLY 21 HA1 GLY 21 -24.384 3.115 -8.641
192 H SER 22 HN SER 22 -24.076 5.722 -10.047
193 HA SER 22 HA SER 22 -26.910 6.512 -10.051
194 HB2 SER 22 HB2 SER 22 -24.372 8.157 -10.339
195 HB3 SER 22 HB1 SER 22 -26.002 8.799 -10.133
196 HG SER 22 HG SER 22 -25.503 8.648 -8.088
197 H PHE 23 HN PHE 23 -24.136 6.410 -12.218
198 HA PHE 23 HA PHE 23 -25.266 7.781 -14.392
199 HB2 PHE 23 HB2 PHE 23 -22.820 7.243 -13.924
200 HB3 PHE 23 HB1 PHE 23 -23.134 5.615 -14.507
201 HD1 PHE 23 HD2 PHE 23 -23.540 9.207 -15.415
202 HD2 PHE 23 HD1 PHE 23 -23.008 5.203 -16.899
203 HE1 PHE 23 HE2 PHE 23 -23.290 10.090 -17.727
204 HE2 PHE 23 HE1 PHE 23 -22.762 6.090 -19.205
205 HZ PHE 23 HZ PHE 23 -22.902 8.532 -19.618
206 H ARG 24 HN ARG 24 -24.977 4.304 -13.718
207 HA ARG 24 HA ARG 24 -25.839 2.458 -14.755
208 HB2 ARG 24 HB2 ARG 24 -28.445 4.017 -14.781
209 HB3 ARG 24 HB1 ARG 24 -28.195 2.292 -14.498
210 HG2 ARG 24 HG2 ARG 24 -26.870 2.957 -12.392
211 HG3 ARG 24 HG1 ARG 24 -27.451 4.595 -12.656
212 HD2 ARG 24 HD2 ARG 24 -29.242 2.173 -12.292
213 HD3 ARG 24 HD1 ARG 24 -28.880 3.360 -11.044
214 HE ARG 24 HE ARG 24 -29.854 4.804 -13.214
215 HH11 ARG 24 HH21 ARG 24 -30.961 2.294 -11.083
216 HH12 ARG 24 HH22 ARG 24 -32.626 2.766 -11.178
217 HH21 ARG 24 HH11 ARG 24 -32.031 5.421 -13.323
218 HH22 ARG 24 HH12 ARG 24 -33.227 4.538 -12.434
219 H LYS 25 HN LYS 25 -27.987 2.117 -16.526
220 HA LYS 25 HA LYS 25 -28.355 1.918 -18.788
221 HB2 LYS 25 HB2 LYS 25 -27.400 4.801 -18.882
222 HB3 LYS 25 HB1 LYS 25 -28.408 3.995 -20.077
223 HG2 LYS 25 HG2 LYS 25 -29.251 4.416 -17.178
224 HG3 LYS 25 HG1 LYS 25 -29.662 5.526 -18.480
225 HD2 LYS 25 HD2 LYS 25 -30.807 3.617 -19.669
226 HD3 LYS 25 HD1 LYS 25 -30.507 2.607 -18.257
227 HE2 LYS 25 HE2 LYS 25 -32.766 3.531 -18.125
228 HE3 LYS 25 HE1 LYS 25 -31.768 4.225 -16.847
229 HZ1 LYS 25 HZ1 LYS 25 -33.177 5.816 -18.192
230 HZ2 LYS 25 HZ2 LYS 25 -32.100 5.542 -19.475
231 HZ3 LYS 25 HZ3 LYS 25 -31.538 6.220 -18.023
232 H ASP 26 HN ASP 26 -27.153 2.865 -21.032
233 HA ASP 26 HA ASP 26 -24.864 1.223 -21.269
234 HB2 ASP 26 HB2 ASP 26 -25.792 3.508 -23.035
235 HB3 ASP 26 HB1 ASP 26 -24.592 2.300 -23.488
Start of MODEL 4
1 H1 MET 1 HT1 MET 1 -3.861 -3.682 -9.567
2 H2 MET 1 HT2 MET 1 -5.445 -3.818 -8.967
3 H3 MET 1 HT3 MET 1 -4.400 -2.629 -8.351
4 HA MET 1 HA MET 1 -4.392 -2.086 -10.998
5 HB2 MET 1 HB2 MET 1 -6.245 -3.751 -11.258
6 HB3 MET 1 HB1 MET 1 -7.226 -2.801 -10.147
7 HG2 MET 1 HG2 MET 1 -7.148 -0.881 -11.685
8 HG3 MET 1 HG1 MET 1 -6.090 -1.778 -12.774
9 HE1 MET 1 HE1 MET 1 -8.982 -0.417 -13.594
10 HE2 MET 1 HE2 MET 1 -9.322 -1.644 -14.813
11 HE3 MET 1 HE3 MET 1 -7.669 -1.081 -14.576
12 H LYS 2 HN LYS 2 -5.040 0.097 -11.315
13 HA LYS 2 HA LYS 2 -5.282 2.278 -10.680
14 HB2 LYS 2 HB2 LYS 2 -7.623 1.476 -10.325
15 HB3 LYS 2 HB1 LYS 2 -7.232 1.147 -8.640
16 HG2 LYS 2 HG2 LYS 2 -6.708 3.525 -8.266
17 HG3 LYS 2 HG1 LYS 2 -7.018 3.873 -9.968
18 HD2 LYS 2 HD2 LYS 2 -9.365 3.135 -9.684
19 HD3 LYS 2 HD1 LYS 2 -9.050 2.799 -7.981
20 HE2 LYS 2 HE2 LYS 2 -10.113 5.006 -8.243
21 HE3 LYS 2 HE1 LYS 2 -8.470 5.183 -7.626
22 HZ1 LYS 2 HZ1 LYS 2 -7.706 5.653 -9.857
23 HZ2 LYS 2 HZ2 LYS 2 -8.938 6.740 -9.424
24 HZ3 LYS 2 HZ3 LYS 2 -9.272 5.446 -10.473
25 H PHE 3 HN PHE 3 -3.188 2.591 -9.912
26 HA PHE 3 HA PHE 3 -2.347 1.913 -7.255
27 HB2 PHE 3 HB2 PHE 3 -0.384 3.383 -7.826
28 HB3 PHE 3 HB1 PHE 3 -0.695 2.123 -9.012
29 HD1 PHE 3 HD1 PHE 3 -1.827 2.669 -11.189
30 HD2 PHE 3 HD2 PHE 3 -0.642 5.759 -8.435
31 HE1 PHE 3 HE1 PHE 3 -2.047 4.361 -12.983
32 HE2 PHE 3 HE2 PHE 3 -0.865 7.442 -10.237
33 HZ PHE 3 HZ PHE 3 -1.567 6.746 -12.509
34 H TYR 4 HN TYR 4 -3.420 2.801 -5.567
35 HA TYR 4 HA TYR 4 -4.577 5.438 -5.591
36 HB2 TYR 4 HB2 TYR 4 -4.023 3.698 -3.153
37 HB3 TYR 4 HB1 TYR 4 -5.209 4.985 -3.307
38 HD1 TYR 4 HD2 TYR 4 -4.266 1.588 -4.482
39 HD2 TYR 4 HD1 TYR 4 -7.357 4.583 -4.410
40 HE1 TYR 4 HE2 TYR 4 -5.878 -0.046 -5.393
41 HE2 TYR 4 HE1 TYR 4 -8.965 2.943 -5.320
42 HH TYR 4 HH TYR 4 -8.504 0.575 -6.869
43 H THR 5 HN THR 5 -1.835 3.974 -3.862
44 HA THR 5 HA THR 5 0.024 4.836 -2.896
45 HB THR 5 HB THR 5 1.229 6.461 -4.162
46 HG1 THR 5 HG1 THR 5 -0.593 7.953 -4.170
47 HG21 THR 5 HG21 THR 5 0.762 4.308 -5.349
48 HG22 THR 5 HG22 THR 5 0.963 5.662 -6.462
49 HG23 THR 5 HG23 THR 5 -0.649 5.060 -6.092
50 H ILE 6 HN ILE 6 -2.701 5.720 -2.103
51 HA ILE 6 HA ILE 6 -1.998 8.083 -0.420
52 HB ILE 6 HB ILE 6 -4.621 7.330 -1.757
53 HG12 ILE 6 HG12 ILE 6 -3.213 10.005 -2.113
54 HG13 ILE 6 HG11 ILE 6 -2.639 8.627 -3.026
55 HG21 ILE 6 HG21 ILE 6 -4.053 9.653 0.128
56 HG22 ILE 6 HG22 ILE 6 -5.066 8.266 0.509
57 HG23 ILE 6 HG23 ILE 6 -5.562 9.395 -0.744
58 HD11 ILE 6 HD11 ILE 6 -4.839 8.282 -4.011
59 HD12 ILE 6 HD12 ILE 6 -4.318 9.945 -4.283
60 HD13 ILE 6 HD13 ILE 6 -5.512 9.590 -3.031
61 H LYS 7 HN LYS 7 -2.284 7.739 1.752
62 HA LYS 7 HA LYS 7 -2.844 5.067 2.711
63 HB2 LYS 7 HB2 LYS 7 -2.394 7.699 4.155
64 HB3 LYS 7 HB1 LYS 7 -2.435 6.115 4.934
65 HG2 LYS 7 HG2 LYS 7 -0.515 5.372 3.588
66 HG3 LYS 7 HG1 LYS 7 -0.480 6.925 2.748
67 HD2 LYS 7 HD2 LYS 7 -0.036 8.080 4.877
68 HD3 LYS 7 HD1 LYS 7 -0.075 6.538 5.733
69 HE2 LYS 7 HE2 LYS 7 1.842 5.742 4.400
70 HE3 LYS 7 HE1 LYS 7 1.880 7.276 3.530
71 HZ1 LYS 7 HZ1 LYS 7 2.236 8.397 5.669
72 HZ2 LYS 7 HZ2 LYS 7 3.487 7.309 5.293
73 HZ3 LYS 7 HZ3 LYS 7 2.307 6.889 6.443
74 H LEU 8 HN LEU 8 -5.106 6.189 1.337
75 HA LEU 8 HA LEU 8 -7.007 7.253 3.105
76 HB2 LEU 8 HB2 LEU 8 -8.590 6.489 1.142
77 HB3 LEU 8 HB1 LEU 8 -7.436 7.757 0.831
78 HG LEU 8 HG LEU 8 -5.937 6.131 -0.219
79 HD11 LEU 8 HD11 LEU 8 -6.235 4.088 0.898
80 HD12 LEU 8 HD12 LEU 8 -6.884 3.780 -0.698
81 HD13 LEU 8 HD13 LEU 8 -7.978 4.097 0.648
82 HD21 LEU 8 HD21 LEU 8 -8.737 5.815 -1.308
83 HD22 LEU 8 HD22 LEU 8 -7.236 5.665 -2.210
84 HD23 LEU 8 HD23 LEU 8 -7.721 7.235 -1.576
85 HA PRO 9 HA PRO 9 -8.796 3.235 4.394
86 HB2 PRO 9 HB2 PRO 9 -10.972 4.131 5.664
87 HB3 PRO 9 HB1 PRO 9 -9.375 4.698 6.190
88 HG2 PRO 9 HG2 PRO 9 -11.503 6.208 4.764
89 HG3 PRO 9 HG1 PRO 9 -10.135 6.827 5.707
90 HD2 PRO 9 HD2 PRO 9 -10.301 6.383 2.783
91 HD3 PRO 9 HD1 PRO 9 -9.080 7.298 3.676
92 H LYS 10 HN LYS 10 -9.062 3.353 1.765
93 HA LYS 10 HA LYS 10 -10.211 2.684 -0.077
94 HB2 LYS 10 HB2 LYS 10 -12.289 1.774 1.955
95 HB3 LYS 10 HB1 LYS 10 -12.311 1.378 0.242
96 HG2 LYS 10 HG2 LYS 10 -10.114 0.275 0.454
97 HG3 LYS 10 HG1 LYS 10 -10.081 0.667 2.174
98 HD2 LYS 10 HD2 LYS 10 -12.113 -0.682 2.538
99 HD3 LYS 10 HD1 LYS 10 -12.186 -1.054 0.815
100 HE2 LYS 10 HE2 LYS 10 -11.144 -2.910 2.057
101 HE3 LYS 10 HE1 LYS 10 -9.976 -2.165 0.966
102 HZ1 LYS 10 HZ1 LYS 10 -9.389 -2.623 3.457
103 HZ2 LYS 10 HZ2 LYS 10 -10.183 -1.141 3.704
104 HZ3 LYS 10 HZ3 LYS 10 -8.832 -1.224 2.679
105 H PHE 11 HN PHE 11 -10.258 5.334 0.392
106 HA PHE 11 HA PHE 11 -12.809 6.572 0.527
107 HB2 PHE 11 HB2 PHE 11 -10.626 7.737 0.862
108 HB3 PHE 11 HB1 PHE 11 -10.304 7.595 -0.841
109 HD1 PHE 11 HD1 PHE 11 -11.729 8.828 -2.511
110 HD2 PHE 11 HD2 PHE 11 -12.214 9.384 1.728
111 HE1 PHE 11 HE1 PHE 11 -13.005 10.908 -2.928
112 HE2 PHE 11 HE2 PHE 11 -13.505 11.457 1.301
113 HZ PHE 11 HZ PHE 11 -13.900 12.219 -1.024
114 H LEU 12 HN LEU 12 -10.687 6.441 -2.307
115 HA LEU 12 HA LEU 12 -12.724 6.921 -4.207
116 HB2 LEU 12 HB2 LEU 12 -10.015 5.555 -4.497
117 HB3 LEU 12 HB1 LEU 12 -10.996 6.041 -5.867
118 HG LEU 12 HG LEU 12 -9.952 7.983 -3.778
119 HD11 LEU 12 HD11 LEU 12 -8.273 8.640 -5.475
120 HD12 LEU 12 HD12 LEU 12 -8.848 7.347 -6.527
121 HD13 LEU 12 HD13 LEU 12 -8.077 6.955 -4.991
122 HD21 LEU 12 HD21 LEU 12 -11.285 8.378 -6.493
123 HD22 LEU 12 HD22 LEU 12 -10.442 9.674 -5.647
124 HD23 LEU 12 HD23 LEU 12 -11.870 8.954 -4.936
125 H GLY 13 HN GLY 13 -11.424 4.016 -2.769
126 HA2 GLY 13 HA2 GLY 13 -12.225 2.034 -4.490
127 HA3 GLY 13 HA1 GLY 13 -12.217 1.843 -2.748
128 H GLY 14 HN GLY 14 -14.292 3.314 -1.837
129 HA2 GLY 14 HA2 GLY 14 -16.606 1.819 -2.801
130 HA3 GLY 14 HA1 GLY 14 -16.558 2.936 -1.445
131 H ILE 15 HN ILE 15 -15.529 5.184 -2.762
132 HA ILE 15 HA ILE 15 -17.927 6.326 -3.835
133 HB ILE 15 HB ILE 15 -15.074 7.333 -3.593
134 HG12 ILE 15 HG12 ILE 15 -17.535 8.041 -1.922
135 HG13 ILE 15 HG11 ILE 15 -16.398 6.776 -1.461
136 HG21 ILE 15 HG21 ILE 15 -17.610 8.815 -4.409
137 HG22 ILE 15 HG22 ILE 15 -16.108 8.687 -5.325
138 HG23 ILE 15 HG23 ILE 15 -16.158 9.646 -3.853
139 HD11 ILE 15 HD11 ILE 15 -15.848 8.893 -0.339
140 HD12 ILE 15 HD12 ILE 15 -15.686 9.689 -1.906
141 HD13 ILE 15 HD13 ILE 15 -14.570 8.405 -1.450
142 H VAL 16 HN VAL 16 -14.740 5.680 -5.359
143 HA VAL 16 HA VAL 16 -15.450 6.684 -7.857
144 HB VAL 16 HB VAL 16 -13.143 5.865 -6.934
145 HG11 VAL 16 HG11 VAL 16 -12.417 3.650 -7.358
146 HG12 VAL 16 HG12 VAL 16 -13.668 3.359 -8.569
147 HG13 VAL 16 HG13 VAL 16 -14.087 3.371 -6.865
148 HG21 VAL 16 HG21 VAL 16 -12.258 5.653 -9.256
149 HG22 VAL 16 HG22 VAL 16 -13.394 6.992 -9.089
150 HG23 VAL 16 HG23 VAL 16 -13.912 5.482 -9.847
151 H ARG 17 HN ARG 17 -16.247 3.596 -6.412
152 HA ARG 17 HA ARG 17 -17.142 2.275 -8.784
153 HB2 ARG 17 HB2 ARG 17 -17.870 1.959 -5.853
154 HB3 ARG 17 HB1 ARG 17 -18.487 0.880 -7.102
155 HG2 ARG 17 HG2 ARG 17 -15.482 1.309 -6.783
156 HG3 ARG 17 HG1 ARG 17 -16.330 0.153 -5.765
157 HD2 ARG 17 HD2 ARG 17 -16.313 0.093 -8.801
158 HD3 ARG 17 HD1 ARG 17 -15.352 -0.936 -7.754
159 HE ARG 17 HE ARG 17 -18.044 -1.204 -6.997
160 HH11 ARG 17 HH21 ARG 17 -15.952 -1.883 -9.687
161 HH12 ARG 17 HH22 ARG 17 -16.866 -3.255 -10.219
162 HH21 ARG 17 HH11 ARG 17 -19.234 -3.000 -7.704
163 HH22 ARG 17 HH12 ARG 17 -18.715 -3.886 -9.098
164 H ALA 18 HN ALA 18 -18.554 4.475 -6.472
165 HA ALA 18 HA ALA 18 -21.243 4.330 -7.372
166 HB1 ALA 18 HB1 ALA 18 -21.626 6.258 -6.016
167 HB2 ALA 18 HB2 ALA 18 -19.964 6.823 -6.194
168 HB3 ALA 18 HB3 ALA 18 -20.312 5.401 -5.212
169 H MET 19 HN MET 19 -18.460 6.287 -8.315
170 HA MET 19 HA MET 19 -19.743 8.074 -10.091
171 HB2 MET 19 HB2 MET 19 -16.945 6.920 -10.329
172 HB3 MET 19 HB1 MET 19 -17.519 8.395 -11.087
173 HG2 MET 19 HG2 MET 19 -17.474 7.975 -8.077
174 HG3 MET 19 HG1 MET 19 -16.168 8.742 -8.967
175 HE1 MET 19 HE1 MET 19 -17.721 11.665 -7.114
176 HE2 MET 19 HE2 MET 19 -16.448 10.446 -7.206
177 HE3 MET 19 HE3 MET 19 -18.011 10.028 -6.509
178 H LEU 20 HN LEU 20 -18.231 4.928 -10.603
179 HA LEU 20 HA LEU 20 -18.690 4.734 -13.397
180 HB2 LEU 20 HB2 LEU 20 -18.269 2.619 -11.268
181 HB3 LEU 20 HB1 LEU 20 -18.231 2.296 -12.987
182 HG LEU 20 HG LEU 20 -16.355 4.170 -11.509
183 HD11 LEU 20 HD11 LEU 20 -14.638 2.459 -11.981
184 HD12 LEU 20 HD12 LEU 20 -15.868 1.434 -12.719
185 HD13 LEU 20 HD13 LEU 20 -15.946 1.803 -10.996
186 HD21 LEU 20 HD21 LEU 20 -15.058 3.929 -13.810
187 HD22 LEU 20 HD22 LEU 20 -16.363 5.094 -13.667
188 HD23 LEU 20 HD23 LEU 20 -16.656 3.540 -14.456
189 H GLY 21 HN GLY 21 -20.541 3.622 -10.592
190 HA2 GLY 21 HA2 GLY 21 -22.527 2.186 -11.980
191 HA3 GLY 21 HA1 GLY 21 -22.743 2.947 -10.405
192 H SER 22 HN SER 22 -22.043 5.585 -11.400
193 HA SER 22 HA SER 22 -24.655 6.476 -12.265
194 HB2 SER 22 HB2 SER 22 -22.987 7.741 -10.765
195 HB3 SER 22 HB1 SER 22 -22.122 8.155 -12.244
196 HG SER 22 HG SER 22 -23.620 9.567 -12.637
197 H PHE 23 HN PHE 23 -21.498 6.008 -13.697
198 HA PHE 23 HA PHE 23 -21.862 7.282 -16.138
199 HB2 PHE 23 HB2 PHE 23 -19.746 6.270 -15.000
200 HB3 PHE 23 HB1 PHE 23 -20.199 4.763 -15.780
201 HD1 PHE 23 HD2 PHE 23 -19.703 8.402 -16.483
202 HD2 PHE 23 HD1 PHE 23 -19.419 4.401 -18.048
203 HE1 PHE 23 HE2 PHE 23 -18.660 9.279 -18.562
204 HE2 PHE 23 HE1 PHE 23 -18.379 5.284 -20.118
205 HZ PHE 23 HZ PHE 23 -17.998 7.722 -20.375
206 H ARG 24 HN ARG 24 -22.430 3.843 -15.305
207 HA ARG 24 HA ARG 24 -23.517 3.249 -17.946
208 HB2 ARG 24 HB2 ARG 24 -23.963 0.998 -16.973
209 HB3 ARG 24 HB1 ARG 24 -22.282 1.497 -16.798
210 HG2 ARG 24 HG2 ARG 24 -22.702 2.172 -14.465
211 HG3 ARG 24 HG1 ARG 24 -24.397 1.713 -14.623
212 HD2 ARG 24 HD2 ARG 24 -23.122 -0.087 -13.530
213 HD3 ARG 24 HD1 ARG 24 -23.735 -0.612 -15.093
214 HE ARG 24 HE ARG 24 -21.551 -0.674 -15.933
215 HH11 ARG 24 HH21 ARG 24 -21.611 0.757 -12.768
216 HH12 ARG 24 HH22 ARG 24 -19.891 0.728 -12.582
217 HH21 ARG 24 HH11 ARG 24 -19.307 -0.697 -15.683
218 HH22 ARG 24 HH12 ARG 24 -18.589 -0.091 -14.228
219 H LYS 25 HN LYS 25 -25.676 2.375 -18.244
220 HA LYS 25 HA LYS 25 -27.694 4.115 -17.299
221 HB2 LYS 25 HB2 LYS 25 -27.520 2.511 -19.431
222 HB3 LYS 25 HB1 LYS 25 -28.333 1.350 -18.396
223 HG2 LYS 25 HG2 LYS 25 -29.388 4.131 -19.064
224 HG3 LYS 25 HG1 LYS 25 -29.905 2.639 -19.844
225 HD2 LYS 25 HD2 LYS 25 -30.654 1.791 -17.589
226 HD3 LYS 25 HD1 LYS 25 -30.274 3.374 -16.919
227 HE2 LYS 25 HE2 LYS 25 -31.873 4.442 -18.447
228 HE3 LYS 25 HE1 LYS 25 -32.254 2.872 -19.156
229 HZ1 LYS 25 HZ1 LYS 25 -33.799 3.704 -17.365
230 HZ2 LYS 25 HZ2 LYS 25 -32.543 3.410 -16.260
231 HZ3 LYS 25 HZ3 LYS 25 -33.201 2.130 -17.162
232 H ASP 26 HN ASP 26 -26.906 0.736 -16.461
233 HA ASP 26 HA ASP 26 -27.625 1.052 -13.712
234 HB2 ASP 26 HB2 ASP 26 -29.906 0.968 -14.704
235 HB3 ASP 26 HB1 ASP 26 -29.525 -0.595 -15.420
Start of MODEL 5
1 H1 MET 1 HT1 MET 1 -8.857 3.739 -12.489
2 H2 MET 1 HT2 MET 1 -8.217 2.173 -12.645
3 H3 MET 1 HT3 MET 1 -7.479 3.479 -13.443
4 HA MET 1 HA MET 1 -6.120 3.044 -11.595
5 HB2 MET 1 HB2 MET 1 -8.049 5.317 -10.983
6 HB3 MET 1 HB1 MET 1 -6.483 5.101 -10.203
7 HG2 MET 1 HG2 MET 1 -5.360 5.276 -12.397
8 HG3 MET 1 HG1 MET 1 -6.922 5.476 -13.183
9 HE1 MET 1 HE1 MET 1 -4.917 6.953 -10.054
10 HE2 MET 1 HE2 MET 1 -4.560 8.538 -10.729
11 HE3 MET 1 HE3 MET 1 -3.970 7.092 -11.542
12 H LYS 2 HN LYS 2 -7.661 0.948 -11.213
13 HA LYS 2 HA LYS 2 -9.408 0.936 -8.983
14 HB2 LYS 2 HB2 LYS 2 -7.697 -1.279 -10.167
15 HB3 LYS 2 HB1 LYS 2 -8.977 -1.534 -8.978
16 HG2 LYS 2 HG2 LYS 2 -10.628 -0.562 -10.537
17 HG3 LYS 2 HG1 LYS 2 -9.355 -0.305 -11.731
18 HD2 LYS 2 HD2 LYS 2 -8.927 -2.739 -11.804
19 HD3 LYS 2 HD1 LYS 2 -10.198 -3.000 -10.609
20 HE2 LYS 2 HE2 LYS 2 -11.861 -2.041 -12.160
21 HE3 LYS 2 HE1 LYS 2 -10.594 -1.771 -13.357
22 HZ1 LYS 2 HZ1 LYS 2 -11.495 -4.384 -12.276
23 HZ2 LYS 2 HZ2 LYS 2 -10.147 -4.184 -13.292
24 HZ3 LYS 2 HZ3 LYS 2 -11.705 -3.809 -13.857
25 H PHE 3 HN PHE 3 -5.916 0.373 -9.280
26 HA PHE 3 HA PHE 3 -5.523 -0.176 -6.463
27 HB2 PHE 3 HB2 PHE 3 -3.120 -0.128 -7.066
28 HB3 PHE 3 HB1 PHE 3 -4.042 -1.176 -8.142
29 HD1 PHE 3 HD1 PHE 3 -2.430 2.183 -7.843
30 HD2 PHE 3 HD2 PHE 3 -4.276 -0.642 -10.522
31 HE1 PHE 3 HE1 PHE 3 -1.669 3.514 -9.786
32 HE2 PHE 3 HE2 PHE 3 -3.508 0.700 -12.456
33 HZ PHE 3 HZ PHE 3 -2.206 2.776 -12.090
34 H TYR 4 HN TYR 4 -3.495 1.192 -5.584
35 HA TYR 4 HA TYR 4 -3.639 4.045 -6.099
36 HB2 TYR 4 HB2 TYR 4 -4.326 4.684 -3.831
37 HB3 TYR 4 HB1 TYR 4 -5.606 3.774 -4.632
38 HD1 TYR 4 HD2 TYR 4 -2.856 3.560 -2.125
39 HD2 TYR 4 HD1 TYR 4 -6.309 1.587 -3.776
40 HE1 TYR 4 HE2 TYR 4 -2.809 1.921 -0.277
41 HE2 TYR 4 HE1 TYR 4 -6.248 -0.054 -1.921
42 HH TYR 4 HH TYR 4 -3.807 -0.731 -0.141
43 H THR 5 HN THR 5 -2.128 5.245 -4.801
44 HA THR 5 HA THR 5 0.106 3.672 -3.608
45 HB THR 5 HB THR 5 1.657 5.227 -4.691
46 HG1 THR 5 HG1 THR 5 0.662 6.575 -6.380
47 HG21 THR 5 HG21 THR 5 1.027 3.155 -5.890
48 HG22 THR 5 HG22 THR 5 1.365 4.471 -7.015
49 HG23 THR 5 HG23 THR 5 -0.303 4.021 -6.661
50 H ILE 6 HN ILE 6 -2.315 5.484 -2.927
51 HA ILE 6 HA ILE 6 -1.053 7.550 -1.228
52 HB ILE 6 HB ILE 6 -3.914 7.042 -2.066
53 HG12 ILE 6 HG12 ILE 6 -2.455 9.472 -3.105
54 HG13 ILE 6 HG11 ILE 6 -1.949 7.941 -3.795
55 HG21 ILE 6 HG21 ILE 6 -3.799 8.279 0.064
56 HG22 ILE 6 HG22 ILE 6 -4.370 9.329 -1.223
57 HG23 ILE 6 HG23 ILE 6 -2.700 9.445 -0.668
58 HD11 ILE 6 HD11 ILE 6 -4.210 7.426 -4.500
59 HD12 ILE 6 HD12 ILE 6 -3.776 9.033 -5.088
60 HD13 ILE 6 HD13 ILE 6 -4.836 8.864 -3.687
61 H LYS 7 HN LYS 7 -1.338 7.506 0.990
62 HA LYS 7 HA LYS 7 -1.751 4.999 2.269
63 HB2 LYS 7 HB2 LYS 7 -1.521 6.301 4.361
64 HB3 LYS 7 HB1 LYS 7 -0.266 6.705 3.189
65 HG2 LYS 7 HG2 LYS 7 -1.623 8.696 2.481
66 HG3 LYS 7 HG1 LYS 7 -2.787 8.320 3.751
67 HD2 LYS 7 HD2 LYS 7 -1.023 8.565 5.455
68 HD3 LYS 7 HD1 LYS 7 0.153 8.922 4.191
69 HE2 LYS 7 HE2 LYS 7 -0.671 11.002 5.231
70 HE3 LYS 7 HE1 LYS 7 -1.152 10.916 3.536
71 HZ1 LYS 7 HZ1 LYS 7 -3.322 10.524 4.073
72 HZ2 LYS 7 HZ2 LYS 7 -2.875 11.511 5.381
73 HZ3 LYS 7 HZ3 LYS 7 -2.957 9.826 5.574
74 H LEU 8 HN LEU 8 -4.114 6.580 0.788
75 HA LEU 8 HA LEU 8 -6.085 7.125 2.611
76 HB2 LEU 8 HB2 LEU 8 -7.576 6.904 0.648
77 HB3 LEU 8 HB1 LEU 8 -6.162 7.799 0.283
78 HG LEU 8 HG LEU 8 -5.185 5.622 -0.657
79 HD11 LEU 8 HD11 LEU 8 -7.277 4.088 -1.498
80 HD12 LEU 8 HD12 LEU 8 -7.898 4.590 0.070
81 HD13 LEU 8 HD13 LEU 8 -6.354 3.754 -0.045
82 HD21 LEU 8 HD21 LEU 8 -6.256 7.527 -2.064
83 HD22 LEU 8 HD22 LEU 8 -7.681 6.506 -2.149
84 HD23 LEU 8 HD23 LEU 8 -6.164 5.944 -2.828
85 HA PRO 9 HA PRO 9 -7.509 2.925 3.544
86 HB2 PRO 9 HB2 PRO 9 -10.019 3.378 4.487
87 HB3 PRO 9 HB1 PRO 9 -8.602 4.077 5.300
88 HG2 PRO 9 HG2 PRO 9 -10.670 5.451 3.668
89 HG3 PRO 9 HG1 PRO 9 -9.572 6.131 4.878
90 HD2 PRO 9 HD2 PRO 9 -9.236 6.091 1.963
91 HD3 PRO 9 HD1 PRO 9 -8.222 6.914 3.154
92 H LYS 10 HN LYS 10 -10.302 4.563 2.056
93 HA LYS 10 HA LYS 10 -10.335 2.884 -0.308
94 HB2 LYS 10 HB2 LYS 10 -12.593 2.692 1.730
95 HB3 LYS 10 HB1 LYS 10 -12.688 2.084 0.078
96 HG2 LYS 10 HG2 LYS 10 -10.635 0.632 0.629
97 HG3 LYS 10 HG1 LYS 10 -10.878 1.076 2.315
98 HD2 LYS 10 HD2 LYS 10 -12.980 -0.279 0.582
99 HD3 LYS 10 HD1 LYS 10 -11.933 -1.117 1.719
100 HE2 LYS 10 HE2 LYS 10 -12.873 0.406 3.549
101 HE3 LYS 10 HE1 LYS 10 -14.084 0.925 2.373
102 HZ1 LYS 10 HZ1 LYS 10 -14.813 -0.935 3.785
103 HZ2 LYS 10 HZ2 LYS 10 -13.581 -1.900 3.123
104 HZ3 LYS 10 HZ3 LYS 10 -14.830 -1.313 2.132
105 H PHE 11 HN PHE 11 -10.005 5.637 0.298
106 HA PHE 11 HA PHE 11 -12.161 7.326 0.209
107 HB2 PHE 11 HB2 PHE 11 -9.706 7.871 0.326
108 HB3 PHE 11 HB1 PHE 11 -9.631 7.715 -1.402
109 HD1 PHE 11 HD2 PHE 11 -11.194 9.207 -2.849
110 HD2 PHE 11 HD1 PHE 11 -10.417 9.940 1.331
111 HE1 PHE 11 HE2 PHE 11 -11.968 11.545 -3.105
112 HE2 PHE 11 HE1 PHE 11 -11.198 12.277 1.055
113 HZ PHE 11 HZ PHE 11 -11.970 13.079 -1.159
114 H LEU 12 HN LEU 12 -10.356 6.705 -2.792
115 HA LEU 12 HA LEU 12 -12.537 7.384 -4.491
116 HB2 LEU 12 HB2 LEU 12 -10.011 5.771 -5.023
117 HB3 LEU 12 HB1 LEU 12 -11.100 6.318 -6.290
118 HG LEU 12 HG LEU 12 -9.654 8.190 -4.379
119 HD11 LEU 12 HD11 LEU 12 -8.042 6.998 -5.801
120 HD12 LEU 12 HD12 LEU 12 -8.158 8.686 -6.294
121 HD13 LEU 12 HD13 LEU 12 -8.968 7.436 -7.238
122 HD21 LEU 12 HD21 LEU 12 -10.235 9.880 -6.266
123 HD22 LEU 12 HD22 LEU 12 -11.571 9.360 -5.262
124 HD23 LEU 12 HD23 LEU 12 -11.359 8.661 -6.864
125 H GLY 13 HN GLY 13 -11.255 4.360 -3.227
126 HA2 GLY 13 HA2 GLY 13 -12.582 2.491 -4.756
127 HA3 GLY 13 HA1 GLY 13 -12.209 2.265 -3.058
128 H GLY 14 HN GLY 14 -13.871 3.975 -1.758
129 HA2 GLY 14 HA2 GLY 14 -16.452 2.681 -2.042
130 HA3 GLY 14 HA1 GLY 14 -16.008 3.906 -0.861
131 H ILE 15 HN ILE 15 -15.132 5.902 -2.654
132 HA ILE 15 HA ILE 15 -17.659 7.132 -3.333
133 HB ILE 15 HB ILE 15 -14.774 7.997 -3.703
134 HG12 ILE 15 HG12 ILE 15 -16.826 8.902 -1.629
135 HG13 ILE 15 HG11 ILE 15 -15.629 7.649 -1.317
136 HG21 ILE 15 HG21 ILE 15 -17.360 9.566 -4.068
137 HG22 ILE 15 HG22 ILE 15 -16.119 9.274 -5.286
138 HG23 ILE 15 HG23 ILE 15 -15.779 10.329 -3.929
139 HD11 ILE 15 HD11 ILE 15 -15.045 10.534 -2.044
140 HD12 ILE 15 HD12 ILE 15 -13.823 9.277 -1.858
141 HD13 ILE 15 HD13 ILE 15 -14.794 9.772 -0.473
142 H VAL 16 HN VAL 16 -14.762 6.389 -5.306
143 HA VAL 16 HA VAL 16 -15.904 7.132 -7.726
144 HB VAL 16 HB VAL 16 -13.424 6.394 -7.039
145 HG11 VAL 16 HG11 VAL 16 -14.246 3.898 -6.856
146 HG12 VAL 16 HG12 VAL 16 -12.714 4.212 -7.668
147 HG13 VAL 16 HG13 VAL 16 -14.170 3.900 -8.614
148 HG21 VAL 16 HG21 VAL 16 -13.982 7.547 -9.127
149 HG22 VAL 16 HG22 VAL 16 -14.550 6.034 -9.840
150 HG23 VAL 16 HG23 VAL 16 -12.840 6.240 -9.454
151 H ARG 17 HN ARG 17 -16.339 4.155 -5.921
152 HA ARG 17 HA ARG 17 -17.496 2.589 -7.979
153 HB2 ARG 17 HB2 ARG 17 -16.671 1.663 -5.848
154 HB3 ARG 17 HB1 ARG 17 -17.898 2.571 -4.975
155 HG2 ARG 17 HG2 ARG 17 -18.583 0.247 -5.229
156 HG3 ARG 17 HG1 ARG 17 -19.672 1.275 -6.135
157 HD2 ARG 17 HD2 ARG 17 -18.728 0.579 -8.234
158 HD3 ARG 17 HD1 ARG 17 -17.291 -0.088 -7.454
159 HE ARG 17 HE ARG 17 -19.478 -1.482 -6.428
160 HH11 ARG 17 HH21 ARG 17 -17.967 -0.930 -9.508
161 HH12 ARG 17 HH22 ARG 17 -18.419 -2.472 -10.154
162 HH21 ARG 17 HH11 ARG 17 -20.063 -3.497 -7.281
163 HH22 ARG 17 HH12 ARG 17 -19.604 -3.922 -8.896
164 H ALA 18 HN ALA 18 -18.691 4.918 -5.645
165 HA ALA 18 HA ALA 18 -21.455 4.619 -6.137
166 HB1 ALA 18 HB1 ALA 18 -21.745 6.687 -4.949
167 HB2 ALA 18 HB2 ALA 18 -20.116 7.234 -5.344
168 HB3 ALA 18 HB3 ALA 18 -20.349 5.902 -4.211
169 H MET 19 HN MET 19 -18.946 6.613 -7.626
170 HA MET 19 HA MET 19 -20.567 8.192 -9.316
171 HB2 MET 19 HB2 MET 19 -17.780 7.135 -9.899
172 HB3 MET 19 HB1 MET 19 -18.537 8.526 -10.656
173 HG2 MET 19 HG2 MET 19 -17.999 8.320 -7.673
174 HG3 MET 19 HG1 MET 19 -16.903 9.091 -8.806
175 HE1 MET 19 HE1 MET 19 -18.370 10.385 -6.160
176 HE2 MET 19 HE2 MET 19 -18.353 12.010 -6.841
177 HE3 MET 19 HE3 MET 19 -16.999 10.920 -7.143
178 H LEU 20 HN LEU 20 -18.936 5.110 -9.851
179 HA LEU 20 HA LEU 20 -19.859 4.646 -12.501
180 HB2 LEU 20 HB2 LEU 20 -18.870 2.772 -10.332
181 HB3 LEU 20 HB1 LEU 20 -19.111 2.292 -11.999
182 HG LEU 20 HG LEU 20 -17.182 4.441 -11.047
183 HD11 LEU 20 HD11 LEU 20 -16.464 2.176 -10.429
184 HD12 LEU 20 HD12 LEU 20 -15.426 2.824 -11.699
185 HD13 LEU 20 HD13 LEU 20 -16.673 1.642 -12.098
186 HD21 LEU 20 HD21 LEU 20 -17.952 3.511 -13.826
187 HD22 LEU 20 HD22 LEU 20 -16.305 4.070 -13.529
188 HD23 LEU 20 HD23 LEU 20 -17.659 5.150 -13.232
189 H GLY 21 HN GLY 21 -21.033 3.665 -9.318
190 HA2 GLY 21 HA2 GLY 21 -23.123 1.970 -10.162
191 HA3 GLY 21 HA1 GLY 21 -23.062 2.825 -8.622
192 H SER 22 HN SER 22 -22.791 5.418 -10.069
193 HA SER 22 HA SER 22 -25.655 5.981 -10.428
194 HB2 SER 22 HB2 SER 22 -23.236 7.816 -10.476
195 HB3 SER 22 HB1 SER 22 -24.922 8.329 -10.475
196 HG SER 22 HG SER 22 -24.384 6.546 -8.496
197 H PHE 23 HN PHE 23 -22.661 5.892 -12.254
198 HA PHE 23 HA PHE 23 -23.572 7.135 -14.617
199 HB2 PHE 23 HB2 PHE 23 -21.162 6.668 -13.772
200 HB3 PHE 23 HB1 PHE 23 -21.348 5.064 -14.466
201 HD1 PHE 23 HD2 PHE 23 -21.785 8.689 -15.273
202 HD2 PHE 23 HD1 PHE 23 -20.827 4.787 -16.817
203 HE1 PHE 23 HE2 PHE 23 -21.251 9.686 -17.486
204 HE2 PHE 23 HE1 PHE 23 -20.297 5.789 -19.022
205 HZ PHE 23 HZ PHE 23 -20.507 8.237 -19.357
206 H ARG 24 HN ARG 24 -23.208 3.707 -13.744
207 HA ARG 24 HA ARG 24 -23.967 1.781 -14.684
208 HB2 ARG 24 HB2 ARG 24 -26.459 3.332 -15.468
209 HB3 ARG 24 HB1 ARG 24 -26.324 1.658 -14.928
210 HG2 ARG 24 HG2 ARG 24 -25.512 2.562 -12.675
211 HG3 ARG 24 HG1 ARG 24 -25.934 4.164 -13.257
212 HD2 ARG 24 HD2 ARG 24 -27.799 3.307 -11.942
213 HD3 ARG 24 HD1 ARG 24 -28.280 3.384 -13.635
214 HE ARG 24 HE ARG 24 -28.460 1.070 -13.646
215 HH11 ARG 24 HH21 ARG 24 -26.575 2.096 -10.915
216 HH12 ARG 24 HH22 ARG 24 -26.503 0.518 -10.204
217 HH21 ARG 24 HH11 ARG 24 -28.361 -0.992 -12.711
218 HH22 ARG 24 HH12 ARG 24 -27.511 -1.226 -11.219
219 H LYS 25 HN LYS 25 -25.717 1.329 -16.853
220 HA LYS 25 HA LYS 25 -25.600 0.897 -19.106
221 HB2 LYS 25 HB2 LYS 25 -24.611 3.758 -19.164
222 HB3 LYS 25 HB1 LYS 25 -25.215 2.863 -20.556
223 HG2 LYS 25 HG2 LYS 25 -27.399 2.553 -19.351
224 HG3 LYS 25 HG1 LYS 25 -26.798 3.585 -18.060
225 HD2 LYS 25 HD2 LYS 25 -27.096 4.418 -20.974
226 HD3 LYS 25 HD1 LYS 25 -28.240 4.812 -19.695
227 HE2 LYS 25 HE2 LYS 25 -25.390 5.830 -20.022
228 HE3 LYS 25 HE1 LYS 25 -26.873 6.766 -19.905
229 HZ1 LYS 25 HZ1 LYS 25 -25.412 5.354 -17.774
230 HZ2 LYS 25 HZ2 LYS 25 -27.071 5.679 -17.604
231 HZ3 LYS 25 HZ3 LYS 25 -25.969 6.955 -17.812
232 H ASP 26 HN ASP 26 -23.994 -0.682 -19.096
233 HA ASP 26 HA ASP 26 -21.617 -0.094 -20.574
234 HB2 ASP 26 HB2 ASP 26 -19.967 -0.699 -18.847
235 HB3 ASP 26 HB1 ASP 26 -20.854 0.749 -18.389
Start of MODEL 6
1 H1 MET 1 HT1 MET 1 -3.014 -4.140 -10.077
2 H2 MET 1 HT2 MET 1 -4.346 -3.611 -10.990
3 H3 MET 1 HT3 MET 1 -4.416 -3.599 -9.292
4 HA MET 1 HA MET 1 -2.286 -2.071 -9.626
5 HB2 MET 1 HB2 MET 1 -4.081 -1.630 -12.041
6 HB3 MET 1 HB1 MET 1 -2.779 -0.547 -11.550
7 HG2 MET 1 HG2 MET 1 -1.148 -2.404 -11.806
8 HG3 MET 1 HG1 MET 1 -2.457 -3.468 -12.314
9 HE1 MET 1 HE1 MET 1 -0.758 -0.122 -12.842
10 HE2 MET 1 HE2 MET 1 -0.600 0.056 -14.585
11 HE3 MET 1 HE3 MET 1 0.346 -1.168 -13.743
12 H LYS 2 HN LYS 2 -4.954 -2.772 -8.368
13 HA LYS 2 HA LYS 2 -6.601 -0.461 -8.263
14 HB2 LYS 2 HB2 LYS 2 -6.216 -2.658 -6.205
15 HB3 LYS 2 HB1 LYS 2 -7.561 -1.523 -6.244
16 HG2 LYS 2 HG2 LYS 2 -6.915 -3.476 -8.495
17 HG3 LYS 2 HG1 LYS 2 -8.092 -3.791 -7.222
18 HD2 LYS 2 HD2 LYS 2 -9.242 -1.567 -7.988
19 HD3 LYS 2 HD1 LYS 2 -8.239 -1.691 -9.431
20 HE2 LYS 2 HE2 LYS 2 -10.175 -3.824 -8.473
21 HE3 LYS 2 HE1 LYS 2 -10.468 -2.692 -9.792
22 HZ1 LYS 2 HZ1 LYS 2 -9.465 -5.076 -10.207
23 HZ2 LYS 2 HZ2 LYS 2 -8.008 -4.267 -9.881
24 HZ3 LYS 2 HZ3 LYS 2 -9.010 -3.741 -11.149
25 H PHE 3 HN PHE 3 -3.473 -0.948 -7.126
26 HA PHE 3 HA PHE 3 -3.517 0.380 -4.638
27 HB2 PHE 3 HB2 PHE 3 -1.549 -0.870 -5.175
28 HB3 PHE 3 HB1 PHE 3 -1.391 -0.083 -6.737
29 HD1 PHE 3 HD1 PHE 3 -2.026 1.854 -3.552
30 HD2 PHE 3 HD2 PHE 3 0.937 0.592 -6.432
31 HE1 PHE 3 HE1 PHE 3 -0.396 3.433 -2.593
32 HE2 PHE 3 HE2 PHE 3 2.543 2.197 -5.458
33 HZ PHE 3 HZ PHE 3 1.879 3.614 -3.541
34 H TYR 4 HN TYR 4 -4.189 2.392 -4.287
35 HA TYR 4 HA TYR 4 -4.146 4.457 -6.374
36 HB2 TYR 4 HB2 TYR 4 -5.219 4.382 -3.528
37 HB3 TYR 4 HB1 TYR 4 -5.291 5.809 -4.557
38 HD1 TYR 4 HD2 TYR 4 -6.399 5.622 -6.859
39 HD2 TYR 4 HD1 TYR 4 -6.916 2.642 -3.790
40 HE1 TYR 4 HE2 TYR 4 -8.409 4.769 -8.017
41 HE2 TYR 4 HE1 TYR 4 -8.925 1.792 -4.964
42 HH TYR 4 HH TYR 4 -10.506 2.371 -6.563
43 H THR 5 HN THR 5 -2.876 6.203 -6.385
44 HA THR 5 HA THR 5 -0.334 6.124 -5.147
45 HB THR 5 HB THR 5 0.028 8.265 -6.230
46 HG1 THR 5 HG1 THR 5 -1.547 9.615 -6.395
47 HG21 THR 5 HG21 THR 5 -1.859 6.599 -7.937
48 HG22 THR 5 HG22 THR 5 -0.138 6.266 -7.719
49 HG23 THR 5 HG23 THR 5 -0.656 7.743 -8.528
50 H ILE 6 HN ILE 6 -3.311 7.006 -4.007
51 HA ILE 6 HA ILE 6 -2.372 8.982 -2.029
52 HB ILE 6 HB ILE 6 -5.195 7.981 -2.529
53 HG12 ILE 6 HG12 ILE 6 -5.183 10.464 -3.741
54 HG13 ILE 6 HG11 ILE 6 -3.541 9.960 -4.109
55 HG21 ILE 6 HG21 ILE 6 -4.134 10.503 -1.227
56 HG22 ILE 6 HG22 ILE 6 -4.849 9.129 -0.385
57 HG23 ILE 6 HG23 ILE 6 -5.837 10.113 -1.462
58 HD11 ILE 6 HD11 ILE 6 -4.386 7.943 -5.227
59 HD12 ILE 6 HD12 ILE 6 -5.169 9.371 -5.892
60 HD13 ILE 6 HD13 ILE 6 -6.040 8.346 -4.754
61 H LYS 7 HN LYS 7 -2.284 8.525 0.121
62 HA LYS 7 HA LYS 7 -2.106 5.821 1.005
63 HB2 LYS 7 HB2 LYS 7 -1.782 6.846 3.240
64 HB3 LYS 7 HB1 LYS 7 -0.780 7.615 2.010
65 HG2 LYS 7 HG2 LYS 7 -2.478 9.430 1.788
66 HG3 LYS 7 HG1 LYS 7 -3.425 8.687 3.076
67 HD2 LYS 7 HD2 LYS 7 -1.510 8.952 4.627
68 HD3 LYS 7 HD1 LYS 7 -0.586 9.721 3.335
69 HE2 LYS 7 HE2 LYS 7 -2.271 11.519 3.189
70 HE3 LYS 7 HE1 LYS 7 -3.210 10.748 4.468
71 HZ1 LYS 7 HZ1 LYS 7 -0.612 12.116 4.639
72 HZ2 LYS 7 HZ2 LYS 7 -0.996 10.906 5.768
73 HZ3 LYS 7 HZ3 LYS 7 -1.982 12.282 5.624
74 H LEU 8 HN LEU 8 -4.840 7.263 0.104
75 HA LEU 8 HA LEU 8 -6.616 7.318 2.101
76 HB2 LEU 8 HB2 LEU 8 -8.312 6.963 0.350
77 HB3 LEU 8 HB1 LEU 8 -7.066 8.026 -0.171
78 HG LEU 8 HG LEU 8 -5.991 6.040 -1.338
79 HD11 LEU 8 HD11 LEU 8 -8.389 4.611 -0.247
80 HD12 LEU 8 HD12 LEU 8 -6.776 4.008 -0.615
81 HD13 LEU 8 HD13 LEU 8 -7.935 4.218 -1.905
82 HD21 LEU 8 HD21 LEU 8 -7.567 7.785 -2.477
83 HD22 LEU 8 HD22 LEU 8 -8.799 6.534 -2.403
84 HD23 LEU 8 HD23 LEU 8 -7.326 6.259 -3.314
85 HA PRO 9 HA PRO 9 -7.317 2.977 3.140
86 HB2 PRO 9 HB2 PRO 9 -9.637 3.100 4.502
87 HB3 PRO 9 HB1 PRO 9 -8.238 4.053 5.050
88 HG2 PRO 9 HG2 PRO 9 -10.710 4.983 3.640
89 HG3 PRO 9 HG1 PRO 9 -9.703 5.845 4.817
90 HD2 PRO 9 HD2 PRO 9 -9.558 6.042 1.945
91 HD3 PRO 9 HD1 PRO 9 -8.485 6.835 3.092
92 H LYS 10 HN LYS 10 -10.272 4.474 1.865
93 HA LYS 10 HA LYS 10 -10.521 2.754 -0.388
94 HB2 LYS 10 HB2 LYS 10 -12.644 1.653 0.298
95 HB3 LYS 10 HB1 LYS 10 -11.286 1.142 1.301
96 HG2 LYS 10 HG2 LYS 10 -11.981 2.821 3.030
97 HG3 LYS 10 HG1 LYS 10 -13.389 3.217 2.042
98 HD2 LYS 10 HD2 LYS 10 -14.167 0.881 2.196
99 HD3 LYS 10 HD1 LYS 10 -12.761 0.471 3.179
100 HE2 LYS 10 HE2 LYS 10 -13.494 2.100 4.896
101 HE3 LYS 10 HE1 LYS 10 -14.906 2.490 3.915
102 HZ1 LYS 10 HZ1 LYS 10 -15.256 0.808 5.723
103 HZ2 LYS 10 HZ2 LYS 10 -14.297 -0.264 4.818
104 HZ3 LYS 10 HZ3 LYS 10 -15.754 0.328 4.176
105 H PHE 11 HN PHE 11 -10.421 5.539 0.344
106 HA PHE 11 HA PHE 11 -12.842 6.897 0.400
107 HB2 PHE 11 HB2 PHE 11 -10.542 7.839 0.701
108 HB3 PHE 11 HB1 PHE 11 -10.324 7.787 -1.022
109 HD1 PHE 11 HD2 PHE 11 -11.771 9.210 -2.532
110 HD2 PHE 11 HD1 PHE 11 -11.913 9.553 1.761
111 HE1 PHE 11 HE2 PHE 11 -12.904 11.410 -2.736
112 HE2 PHE 11 HE1 PHE 11 -13.053 11.744 1.542
113 HZ PHE 11 HZ PHE 11 -13.546 12.672 -0.701
114 H LEU 12 HN LEU 12 -10.832 6.780 -2.536
115 HA LEU 12 HA LEU 12 -12.979 7.351 -4.304
116 HB2 LEU 12 HB2 LEU 12 -10.295 5.996 -4.814
117 HB3 LEU 12 HB1 LEU 12 -11.369 6.529 -6.099
118 HG LEU 12 HG LEU 12 -10.155 8.386 -4.024
119 HD11 LEU 12 HD11 LEU 12 -8.629 9.115 -5.818
120 HD12 LEU 12 HD12 LEU 12 -9.314 7.898 -6.895
121 HD13 LEU 12 HD13 LEU 12 -8.411 7.401 -5.464
122 HD21 LEU 12 HD21 LEU 12 -11.780 8.885 -6.556
123 HD22 LEU 12 HD22 LEU 12 -10.806 10.146 -5.805
124 HD23 LEU 12 HD23 LEU 12 -12.143 9.437 -4.924
125 H GLY 13 HN GLY 13 -11.487 4.369 -3.176
126 HA2 GLY 13 HA2 GLY 13 -12.550 2.502 -4.903
127 HA3 GLY 13 HA1 GLY 13 -12.253 2.189 -3.203
128 H GLY 14 HN GLY 14 -14.125 3.596 -1.876
129 HA2 GLY 14 HA2 GLY 14 -16.564 2.130 -2.425
130 HA3 GLY 14 HA1 GLY 14 -16.289 3.277 -1.120
131 H ILE 15 HN ILE 15 -15.509 5.497 -2.669
132 HA ILE 15 HA ILE 15 -18.098 6.563 -3.385
133 HB ILE 15 HB ILE 15 -15.284 7.696 -3.512
134 HG12 ILE 15 HG12 ILE 15 -17.520 8.258 -1.506
135 HG13 ILE 15 HG11 ILE 15 -16.251 7.070 -1.223
136 HG21 ILE 15 HG21 ILE 15 -17.977 9.063 -3.932
137 HG22 ILE 15 HG22 ILE 15 -16.630 8.997 -5.069
138 HG23 ILE 15 HG23 ILE 15 -16.489 9.949 -3.603
139 HD11 ILE 15 HD11 ILE 15 -15.668 9.196 -0.163
140 HD12 ILE 15 HD12 ILE 15 -15.814 10.029 -1.712
141 HD13 ILE 15 HD13 ILE 15 -14.548 8.829 -1.470
142 H VAL 16 HN VAL 16 -15.064 6.235 -5.272
143 HA VAL 16 HA VAL 16 -16.129 7.125 -7.672
144 HB VAL 16 HB VAL 16 -13.655 6.465 -6.955
145 HG11 VAL 16 HG11 VAL 16 -14.181 4.014 -8.687
146 HG12 VAL 16 HG12 VAL 16 -14.371 3.901 -6.946
147 HG13 VAL 16 HG13 VAL 16 -12.809 4.346 -7.629
148 HG21 VAL 16 HG21 VAL 16 -14.699 6.213 -9.803
149 HG22 VAL 16 HG22 VAL 16 -12.997 6.430 -9.378
150 HG23 VAL 16 HG23 VAL 16 -14.168 7.694 -8.995
151 H ARG 17 HN ARG 17 -16.433 3.980 -6.186
152 HA ARG 17 HA ARG 17 -17.432 2.566 -8.449
153 HB2 ARG 17 HB2 ARG 17 -16.497 1.516 -6.385
154 HB3 ARG 17 HB1 ARG 17 -17.894 2.098 -5.480
155 HG2 ARG 17 HG2 ARG 17 -19.401 0.773 -6.882
156 HG3 ARG 17 HG1 ARG 17 -18.050 0.253 -7.888
157 HD2 ARG 17 HD2 ARG 17 -17.015 -0.861 -5.952
158 HD3 ARG 17 HD1 ARG 17 -18.347 -0.328 -4.928
159 HE ARG 17 HE ARG 17 -19.690 -1.999 -5.839
160 HH11 ARG 17 HH21 ARG 17 -16.825 -1.573 -7.757
161 HH12 ARG 17 HH22 ARG 17 -17.143 -2.939 -8.773
162 HH21 ARG 17 HH11 ARG 17 -20.094 -3.791 -7.167
163 HH22 ARG 17 HH12 ARG 17 -18.984 -4.199 -8.432
164 H ALA 18 HN ALA 18 -18.782 4.555 -5.911
165 HA ALA 18 HA ALA 18 -21.527 4.075 -6.410
166 HB1 ALA 18 HB1 ALA 18 -21.956 5.935 -4.976
167 HB2 ALA 18 HB2 ALA 18 -20.441 6.734 -5.402
168 HB3 ALA 18 HB3 ALA 18 -20.423 5.289 -4.391
169 H MET 19 HN MET 19 -19.182 6.374 -7.712
170 HA MET 19 HA MET 19 -20.909 7.994 -9.245
171 HB2 MET 19 HB2 MET 19 -18.072 7.159 -9.935
172 HB3 MET 19 HB1 MET 19 -18.911 8.572 -10.553
173 HG2 MET 19 HG2 MET 19 -18.342 8.122 -7.602
174 HG3 MET 19 HG1 MET 19 -17.280 9.028 -8.668
175 HE1 MET 19 HE1 MET 19 -17.407 11.619 -8.124
176 HE2 MET 19 HE2 MET 19 -17.550 10.601 -6.692
177 HE3 MET 19 HE3 MET 19 -18.590 12.017 -6.868
178 H LEU 20 HN LEU 20 -19.073 5.111 -10.070
179 HA LEU 20 HA LEU 20 -19.994 4.807 -12.741
180 HB2 LEU 20 HB2 LEU 20 -18.831 2.846 -10.742
181 HB3 LEU 20 HB1 LEU 20 -19.041 2.493 -12.446
182 HG LEU 20 HG LEU 20 -17.299 4.720 -11.317
183 HD11 LEU 20 HD11 LEU 20 -16.555 2.050 -12.555
184 HD12 LEU 20 HD12 LEU 20 -16.381 2.498 -10.857
185 HD13 LEU 20 HD13 LEU 20 -15.411 3.310 -12.087
186 HD21 LEU 20 HD21 LEU 20 -17.999 3.932 -14.160
187 HD22 LEU 20 HD22 LEU 20 -16.401 4.601 -13.822
188 HD23 LEU 20 HD23 LEU 20 -17.839 5.541 -13.448
189 H GLY 21 HN GLY 21 -21.005 3.490 -9.640
190 HA2 GLY 21 HA2 GLY 21 -23.057 1.774 -10.684
191 HA3 GLY 21 HA1 GLY 21 -22.808 2.212 -8.999
192 H SER 22 HN SER 22 -22.916 5.130 -10.440
193 HA SER 22 HA SER 22 -25.792 5.507 -9.815
194 HB2 SER 22 HB2 SER 22 -24.142 7.064 -8.820
195 HB3 SER 22 HB1 SER 22 -23.617 7.537 -10.433
196 HG SER 22 HG SER 22 -26.319 7.634 -10.154
197 H PHE 23 HN PHE 23 -23.464 5.558 -12.361
198 HA PHE 23 HA PHE 23 -25.153 6.750 -14.380
199 HB2 PHE 23 HB2 PHE 23 -22.343 5.979 -14.066
200 HB3 PHE 23 HB1 PHE 23 -22.941 5.278 -15.546
201 HD1 PHE 23 HD2 PHE 23 -24.136 6.807 -17.248
202 HD2 PHE 23 HD1 PHE 23 -21.807 8.351 -13.969
203 HE1 PHE 23 HE2 PHE 23 -23.957 8.997 -18.393
204 HE2 PHE 23 HE1 PHE 23 -21.636 10.532 -15.126
205 HZ PHE 23 HZ PHE 23 -22.710 10.857 -17.336
206 H ARG 24 HN ARG 24 -24.013 3.521 -13.538
207 HA ARG 24 HA ARG 24 -24.637 1.425 -14.165
208 HB2 ARG 24 HB2 ARG 24 -27.395 2.692 -14.212
209 HB3 ARG 24 HB1 ARG 24 -27.003 0.994 -13.938
210 HG2 ARG 24 HG2 ARG 24 -25.683 1.703 -11.887
211 HG3 ARG 24 HG1 ARG 24 -26.278 3.338 -12.143
212 HD2 ARG 24 HD2 ARG 24 -28.603 2.563 -11.944
213 HD3 ARG 24 HD1 ARG 24 -28.054 0.906 -11.719
214 HE ARG 24 HE ARG 24 -27.978 3.071 -9.753
215 HH11 ARG 24 HH21 ARG 24 -26.816 -0.070 -10.672
216 HH12 ARG 24 HH22 ARG 24 -26.380 -0.530 -9.062
217 HH21 ARG 24 HH11 ARG 24 -27.418 2.463 -7.645
218 HH22 ARG 24 HH12 ARG 24 -26.726 0.903 -7.345
219 H LYS 25 HN LYS 25 -24.270 3.567 -16.392
220 HA LYS 25 HA LYS 25 -24.871 1.784 -18.589
221 HB2 LYS 25 HB2 LYS 25 -27.079 2.879 -18.211
222 HB3 LYS 25 HB1 LYS 25 -26.321 4.448 -18.465
223 HG2 LYS 25 HG2 LYS 25 -25.761 3.881 -20.773
224 HG3 LYS 25 HG1 LYS 25 -26.271 2.212 -20.536
225 HD2 LYS 25 HD2 LYS 25 -28.027 3.377 -21.740
226 HD3 LYS 25 HD1 LYS 25 -28.611 3.029 -20.117
227 HE2 LYS 25 HE2 LYS 25 -28.310 5.333 -19.437
228 HE3 LYS 25 HE1 LYS 25 -27.384 5.707 -20.892
229 HZ1 LYS 25 HZ1 LYS 25 -29.811 4.630 -21.706
230 HZ2 LYS 25 HZ2 LYS 25 -29.271 6.232 -21.876
231 HZ3 LYS 25 HZ3 LYS 25 -30.167 5.776 -20.506
232 H ASP 26 HN ASP 26 -23.399 2.073 -20.162
233 HA ASP 26 HA ASP 26 -21.241 3.867 -19.863
234 HB2 ASP 26 HB2 ASP 26 -21.155 1.697 -21.094
235 HB3 ASP 26 HB1 ASP 26 -22.122 2.411 -22.378
Start of MODEL 7
1 H1 MET 1 HT1 MET 1 -7.507 -1.873 -9.927
2 H2 MET 1 HT2 MET 1 -8.040 -1.087 -8.519
3 H3 MET 1 HT3 MET 1 -8.496 -2.695 -8.824
4 HA MET 1 HA MET 1 -6.820 -3.203 -7.451
5 HB2 MET 1 HB2 MET 1 -5.249 -2.409 -9.932
6 HB3 MET 1 HB1 MET 1 -4.670 -3.474 -8.651
7 HG2 MET 1 HG2 MET 1 -5.449 -4.942 -10.385
8 HG3 MET 1 HG1 MET 1 -6.728 -4.963 -9.171
9 HE1 MET 1 HE1 MET 1 -6.677 -5.591 -12.528
10 HE2 MET 1 HE2 MET 1 -8.390 -5.238 -12.753
11 HE3 MET 1 HE3 MET 1 -7.859 -6.111 -11.317
12 H LYS 2 HN LYS 2 -4.338 -2.457 -6.903
13 HA LYS 2 HA LYS 2 -4.635 0.092 -5.578
14 HB2 LYS 2 HB2 LYS 2 -3.429 -1.862 -4.608
15 HB3 LYS 2 HB1 LYS 2 -2.186 -1.690 -5.845
16 HG2 LYS 2 HG2 LYS 2 -1.643 0.570 -5.019
17 HG3 LYS 2 HG1 LYS 2 -2.939 0.458 -3.828
18 HD2 LYS 2 HD2 LYS 2 -1.803 -1.467 -2.773
19 HD3 LYS 2 HD1 LYS 2 -0.502 -1.353 -3.959
20 HE2 LYS 2 HE2 LYS 2 0.152 -0.231 -1.868
21 HE3 LYS 2 HE1 LYS 2 -0.006 0.954 -3.166
22 HZ1 LYS 2 HZ1 LYS 2 -1.825 1.869 -2.234
23 HZ2 LYS 2 HZ2 LYS 2 -1.173 1.225 -0.803
24 HZ3 LYS 2 HZ3 LYS 2 -2.408 0.397 -1.625
25 H PHE 3 HN PHE 3 -3.917 2.060 -6.229
26 HA PHE 3 HA PHE 3 -1.878 2.312 -8.353
27 HB2 PHE 3 HB2 PHE 3 -3.241 3.902 -9.612
28 HB3 PHE 3 HB1 PHE 3 -4.060 2.349 -9.521
29 HD1 PHE 3 HD2 PHE 3 -3.999 5.825 -8.158
30 HD2 PHE 3 HD1 PHE 3 -6.184 2.120 -8.315
31 HE1 PHE 3 HE2 PHE 3 -5.966 6.928 -7.130
32 HE2 PHE 3 HE1 PHE 3 -8.137 3.228 -7.278
33 HZ PHE 3 HZ PHE 3 -8.031 5.631 -6.687
34 H TYR 4 HN TYR 4 -3.916 3.836 -5.904
35 HA TYR 4 HA TYR 4 -2.602 6.337 -5.808
36 HB2 TYR 4 HB2 TYR 4 -3.644 6.537 -3.552
37 HB3 TYR 4 HB1 TYR 4 -4.791 6.009 -4.781
38 HD1 TYR 4 HD2 TYR 4 -2.583 4.810 -2.019
39 HD2 TYR 4 HD1 TYR 4 -5.881 3.830 -4.607
40 HE1 TYR 4 HE2 TYR 4 -3.032 2.785 -0.686
41 HE2 TYR 4 HE1 TYR 4 -6.317 1.796 -3.266
42 HH TYR 4 HH TYR 4 -4.296 0.988 -0.440
43 H THR 5 HN THR 5 -1.359 7.123 -3.921
44 HA THR 5 HA THR 5 0.628 5.169 -2.864
45 HB THR 5 HB THR 5 2.322 6.951 -3.165
46 HG1 THR 5 HG1 THR 5 0.903 8.410 -4.928
47 HG21 THR 5 HG21 THR 5 0.789 6.265 -5.688
48 HG22 THR 5 HG22 THR 5 2.016 5.251 -4.926
49 HG23 THR 5 HG23 THR 5 2.468 6.805 -5.627
50 H ILE 6 HN ILE 6 -1.868 6.523 -1.933
51 HA ILE 6 HA ILE 6 -0.894 7.961 0.487
52 HB ILE 6 HB ILE 6 -3.544 7.983 -0.964
53 HG12 ILE 6 HG12 ILE 6 -1.680 10.379 -0.768
54 HG13 ILE 6 HG11 ILE 6 -1.423 9.185 -2.032
55 HG21 ILE 6 HG21 ILE 6 -3.856 8.410 1.444
56 HG22 ILE 6 HG22 ILE 6 -4.123 9.886 0.528
57 HG23 ILE 6 HG23 ILE 6 -2.604 9.648 1.391
58 HD11 ILE 6 HD11 ILE 6 -2.849 11.053 -2.800
59 HD12 ILE 6 HD12 ILE 6 -4.047 10.631 -1.573
60 HD13 ILE 6 HD13 ILE 6 -3.677 9.499 -2.878
61 H LYS 7 HN LYS 7 -1.709 7.302 2.491
62 HA LYS 7 HA LYS 7 -2.423 4.511 2.759
63 HB2 LYS 7 HB2 LYS 7 -2.228 6.774 4.773
64 HB3 LYS 7 HB1 LYS 7 -2.421 5.069 5.190
65 HG2 LYS 7 HG2 LYS 7 -0.296 4.523 4.087
66 HG3 LYS 7 HG1 LYS 7 -0.102 6.203 3.578
67 HD2 LYS 7 HD2 LYS 7 -0.061 6.900 5.963
68 HD3 LYS 7 HD1 LYS 7 -0.196 5.209 6.448
69 HE2 LYS 7 HE2 LYS 7 2.063 6.394 4.799
70 HE3 LYS 7 HE1 LYS 7 2.159 5.951 6.504
71 HZ1 LYS 7 HZ1 LYS 7 2.685 3.914 5.850
72 HZ2 LYS 7 HZ2 LYS 7 2.412 4.299 4.218
73 HZ3 LYS 7 HZ3 LYS 7 1.131 3.751 5.190
74 H LEU 8 HN LEU 8 -4.333 6.553 1.463
75 HA LEU 8 HA LEU 8 -6.518 7.003 3.064
76 HB2 LEU 8 HB2 LEU 8 -7.689 7.278 0.845
77 HB3 LEU 8 HB1 LEU 8 -6.238 8.195 1.010
78 HG LEU 8 HG LEU 8 -5.039 6.341 -0.250
79 HD11 LEU 8 HD11 LEU 8 -6.774 4.994 -1.780
80 HD12 LEU 8 HD12 LEU 8 -7.800 5.187 -0.364
81 HD13 LEU 8 HD13 LEU 8 -6.245 4.384 -0.223
82 HD21 LEU 8 HD21 LEU 8 -5.858 8.481 -1.347
83 HD22 LEU 8 HD22 LEU 8 -7.317 7.616 -1.799
84 HD23 LEU 8 HD23 LEU 8 -5.766 7.110 -2.449
85 HA PRO 9 HA PRO 9 -8.525 2.933 2.846
86 HB2 PRO 9 HB2 PRO 9 -10.876 3.508 3.923
87 HB3 PRO 9 HB1 PRO 9 -9.410 4.023 4.792
88 HG2 PRO 9 HG2 PRO 9 -11.318 5.683 3.171
89 HG3 PRO 9 HG1 PRO 9 -10.401 6.130 4.623
90 HD2 PRO 9 HD2 PRO 9 -9.628 6.569 1.847
91 HD3 PRO 9 HD1 PRO 9 -8.692 6.998 3.289
92 H LYS 10 HN LYS 10 -8.381 3.387 0.257
93 HA LYS 10 HA LYS 10 -9.355 3.202 -1.817
94 HB2 LYS 10 HB2 LYS 10 -11.581 1.929 -0.185
95 HB3 LYS 10 HB1 LYS 10 -11.421 1.824 -1.937
96 HG2 LYS 10 HG2 LYS 10 -9.222 0.721 -1.676
97 HG3 LYS 10 HG1 LYS 10 -9.382 0.822 0.077
98 HD2 LYS 10 HD2 LYS 10 -11.413 -0.577 -0.014
99 HD3 LYS 10 HD1 LYS 10 -11.272 -0.677 -1.769
100 HE2 LYS 10 HE2 LYS 10 -9.083 -1.788 -1.536
101 HE3 LYS 10 HE1 LYS 10 -9.212 -1.686 0.220
102 HZ1 LYS 10 HZ1 LYS 10 -11.095 -3.103 0.199
103 HZ2 LYS 10 HZ2 LYS 10 -9.911 -3.851 -0.763
104 HZ3 LYS 10 HZ3 LYS 10 -11.216 -3.045 -1.491
105 H PHE 11 HN PHE 11 -9.454 5.681 -1.069
106 HA PHE 11 HA PHE 11 -11.830 7.005 -0.575
107 HB2 PHE 11 HB2 PHE 11 -9.442 7.902 -0.655
108 HB3 PHE 11 HB1 PHE 11 -9.633 8.079 -2.370
109 HD1 PHE 11 HD2 PHE 11 -11.708 9.469 -3.222
110 HD2 PHE 11 HD1 PHE 11 -10.162 9.668 0.810
111 HE1 PHE 11 HE2 PHE 11 -12.837 11.644 -2.881
112 HE2 PHE 11 HE1 PHE 11 -11.314 11.840 1.127
113 HZ PHE 11 HZ PHE 11 -12.644 12.826 -0.713
114 H LEU 12 HN LEU 12 -10.364 7.240 -3.794
115 HA LEU 12 HA LEU 12 -12.830 7.721 -5.112
116 HB2 LEU 12 HB2 LEU 12 -10.129 6.805 -6.173
117 HB3 LEU 12 HB1 LEU 12 -11.450 7.345 -7.199
118 HG LEU 12 HG LEU 12 -10.172 9.078 -5.048
119 HD11 LEU 12 HD11 LEU 12 -9.019 10.239 -6.908
120 HD12 LEU 12 HD12 LEU 12 -9.669 9.053 -8.041
121 HD13 LEU 12 HD13 LEU 12 -8.527 8.549 -6.796
122 HD21 LEU 12 HD21 LEU 12 -11.270 10.941 -6.482
123 HD22 LEU 12 HD22 LEU 12 -12.365 9.961 -5.533
124 HD23 LEU 12 HD23 LEU 12 -12.194 9.657 -7.259
125 H GLY 13 HN GLY 13 -10.837 4.890 -4.552
126 HA2 GLY 13 HA2 GLY 13 -11.923 3.040 -6.262
127 HA3 GLY 13 HA1 GLY 13 -11.334 2.650 -4.652
128 H GLY 14 HN GLY 14 -13.146 3.705 -2.946
129 HA2 GLY 14 HA2 GLY 14 -15.456 1.984 -3.300
130 HA3 GLY 14 HA1 GLY 14 -15.123 3.037 -1.933
131 H ILE 15 HN ILE 15 -14.845 5.471 -3.350
132 HA ILE 15 HA ILE 15 -17.616 6.261 -3.567
133 HB ILE 15 HB ILE 15 -15.009 7.742 -4.033
134 HG12 ILE 15 HG12 ILE 15 -16.907 7.876 -1.645
135 HG13 ILE 15 HG11 ILE 15 -15.483 6.839 -1.681
136 HG21 ILE 15 HG21 ILE 15 -16.474 9.826 -3.700
137 HG22 ILE 15 HG22 ILE 15 -17.872 8.775 -3.900
138 HG23 ILE 15 HG23 ILE 15 -16.724 8.981 -5.223
139 HD11 ILE 15 HD11 ILE 15 -14.936 8.930 -0.546
140 HD12 ILE 15 HD12 ILE 15 -15.495 9.861 -1.935
141 HD13 ILE 15 HD13 ILE 15 -14.063 8.844 -2.076
142 H VAL 16 HN VAL 16 -14.902 6.414 -5.890
143 HA VAL 16 HA VAL 16 -16.449 7.330 -8.020
144 HB VAL 16 HB VAL 16 -13.812 7.008 -7.697
145 HG11 VAL 16 HG11 VAL 16 -14.286 4.726 -9.653
146 HG12 VAL 16 HG12 VAL 16 -14.104 4.412 -7.935
147 HG13 VAL 16 HG13 VAL 16 -12.791 5.177 -8.828
148 HG21 VAL 16 HG21 VAL 16 -13.524 7.379 -10.163
149 HG22 VAL 16 HG22 VAL 16 -14.787 8.386 -9.451
150 HG23 VAL 16 HG23 VAL 16 -15.225 6.954 -10.388
151 H ARG 17 HN ARG 17 -16.106 4.077 -6.769
152 HA ARG 17 HA ARG 17 -17.208 2.668 -8.976
153 HB2 ARG 17 HB2 ARG 17 -15.947 1.608 -7.129
154 HB3 ARG 17 HB1 ARG 17 -17.216 2.070 -6.003
155 HG2 ARG 17 HG2 ARG 17 -17.511 -0.253 -6.587
156 HG3 ARG 17 HG1 ARG 17 -18.825 0.643 -7.314
157 HD2 ARG 17 HD2 ARG 17 -17.842 0.448 -9.516
158 HD3 ARG 17 HD1 ARG 17 -16.295 -0.068 -8.849
159 HE ARG 17 HE ARG 17 -17.116 -2.220 -8.781
160 HH11 ARG 17 HH21 ARG 17 -19.767 0.019 -8.898
161 HH12 ARG 17 HH22 ARG 17 -20.973 -1.212 -9.067
162 HH21 ARG 17 HH11 ARG 17 -18.688 -3.822 -9.012
163 HH22 ARG 17 HH12 ARG 17 -20.361 -3.391 -9.128
164 H ALA 18 HN ALA 18 -18.489 4.307 -6.151
165 HA ALA 18 HA ALA 18 -21.199 3.543 -6.432
166 HB1 ALA 18 HB1 ALA 18 -20.119 4.682 -4.403
167 HB2 ALA 18 HB2 ALA 18 -21.710 5.288 -4.863
168 HB3 ALA 18 HB3 ALA 18 -20.265 6.204 -5.285
169 H MET 19 HN MET 19 -19.281 6.198 -7.767
170 HA MET 19 HA MET 19 -21.367 7.680 -8.973
171 HB2 MET 19 HB2 MET 19 -18.535 7.302 -10.004
172 HB3 MET 19 HB1 MET 19 -19.624 8.609 -10.436
173 HG2 MET 19 HG2 MET 19 -18.710 8.085 -7.587
174 HG3 MET 19 HG1 MET 19 -17.887 9.193 -8.671
175 HE1 MET 19 HE1 MET 19 -18.142 10.674 -6.669
176 HE2 MET 19 HE2 MET 19 -19.340 9.788 -5.727
177 HE3 MET 19 HE3 MET 19 -19.633 11.476 -6.144
178 H LEU 20 HN LEU 20 -19.319 5.077 -10.196
179 HA LEU 20 HA LEU 20 -20.502 4.847 -12.774
180 HB2 LEU 20 HB2 LEU 20 -18.962 2.865 -11.066
181 HB3 LEU 20 HB1 LEU 20 -19.343 2.618 -12.758
182 HG LEU 20 HG LEU 20 -17.633 4.866 -11.635
183 HD11 LEU 20 HD11 LEU 20 -16.529 2.678 -11.545
184 HD12 LEU 20 HD12 LEU 20 -15.774 3.698 -12.768
185 HD13 LEU 20 HD13 LEU 20 -16.882 2.416 -13.255
186 HD21 LEU 20 HD21 LEU 20 -17.064 5.061 -14.235
187 HD22 LEU 20 HD22 LEU 20 -18.476 5.871 -13.571
188 HD23 LEU 20 HD23 LEU 20 -18.665 4.339 -14.432
189 H GLY 21 HN GLY 21 -21.057 3.255 -9.677
190 HA2 GLY 21 HA2 GLY 21 -22.918 1.322 -10.502
191 HA3 GLY 21 HA1 GLY 21 -22.814 1.997 -8.879
192 H SER 22 HN SER 22 -23.221 4.743 -10.053
193 HA SER 22 HA SER 22 -26.161 4.753 -9.986
194 HB2 SER 22 HB2 SER 22 -24.176 7.049 -10.200
195 HB3 SER 22 HB1 SER 22 -25.905 7.188 -9.884
196 HG SER 22 HG SER 22 -23.830 6.417 -8.223
197 H PHE 23 HN PHE 23 -23.501 5.396 -12.168
198 HA PHE 23 HA PHE 23 -24.912 6.635 -14.252
199 HB2 PHE 23 HB2 PHE 23 -22.413 6.597 -13.794
200 HB3 PHE 23 HB1 PHE 23 -22.376 4.972 -14.462
201 HD1 PHE 23 HD1 PHE 23 -23.583 8.427 -15.211
202 HD2 PHE 23 HD2 PHE 23 -22.059 4.750 -16.852
203 HE1 PHE 23 HE1 PHE 23 -23.484 9.465 -17.467
204 HE2 PHE 23 HE2 PHE 23 -21.964 5.793 -19.101
205 HZ PHE 23 HZ PHE 23 -22.676 8.148 -19.408
206 H ARG 24 HN ARG 24 -23.910 3.249 -13.803
207 HA ARG 24 HA ARG 24 -24.435 1.329 -14.926
208 HB2 ARG 24 HB2 ARG 24 -27.282 2.393 -14.954
209 HB3 ARG 24 HB1 ARG 24 -26.725 0.735 -14.717
210 HG2 ARG 24 HG2 ARG 24 -25.609 1.508 -12.562
211 HG3 ARG 24 HG1 ARG 24 -26.397 3.058 -12.793
212 HD2 ARG 24 HD2 ARG 24 -27.896 0.435 -12.584
213 HD3 ARG 24 HD1 ARG 24 -27.668 1.564 -11.253
214 HE ARG 24 HE ARG 24 -28.776 2.980 -13.416
215 HH11 ARG 24 HH21 ARG 24 -29.596 0.454 -11.173
216 HH12 ARG 24 HH22 ARG 24 -31.287 0.821 -11.182
217 HH21 ARG 24 HH11 ARG 24 -30.993 3.439 -13.433
218 HH22 ARG 24 HH12 ARG 24 -32.076 2.500 -12.458
219 H LYS 25 HN LYS 25 -26.567 0.799 -16.752
220 HA LYS 25 HA LYS 25 -25.288 1.441 -19.215
221 HB2 LYS 25 HB2 LYS 25 -28.112 0.416 -18.755
222 HB3 LYS 25 HB1 LYS 25 -27.211 0.328 -20.266
223 HG2 LYS 25 HG2 LYS 25 -26.241 -1.011 -17.703
224 HG3 LYS 25 HG1 LYS 25 -27.279 -1.829 -18.863
225 HD2 LYS 25 HD2 LYS 25 -25.557 -1.463 -20.633
226 HD3 LYS 25 HD1 LYS 25 -24.498 -0.728 -19.435
227 HE2 LYS 25 HE2 LYS 25 -23.898 -3.083 -19.734
228 HE3 LYS 25 HE1 LYS 25 -24.549 -2.832 -18.113
229 HZ1 LYS 25 HZ1 LYS 25 -25.431 -4.652 -19.945
230 HZ2 LYS 25 HZ2 LYS 25 -26.589 -3.413 -20.026
231 HZ3 LYS 25 HZ3 LYS 25 -26.254 -4.170 -18.543
232 H ASP 26 HN ASP 26 -25.867 2.843 -20.844
233 HA ASP 26 HA ASP 26 -26.900 5.362 -20.106
234 HB2 ASP 26 HB2 ASP 26 -26.568 4.144 -22.865
235 HB3 ASP 26 HB1 ASP 26 -26.811 5.859 -22.531
Start of MODEL 8
1 H1 MET 1 HT1 MET 1 -4.526 -5.148 -10.906
2 H2 MET 1 HT2 MET 1 -3.271 -4.004 -10.972
3 H3 MET 1 HT3 MET 1 -4.498 -3.992 -12.147
4 HA MET 1 HA MET 1 -5.599 -2.532 -10.937
5 HB2 MET 1 HB2 MET 1 -6.671 -4.690 -10.174
6 HB3 MET 1 HB1 MET 1 -5.598 -4.684 -8.777
7 HG2 MET 1 HG2 MET 1 -7.702 -3.733 -8.062
8 HG3 MET 1 HG1 MET 1 -6.571 -2.387 -8.185
9 HE1 MET 1 HE1 MET 1 -9.104 -1.361 -7.936
10 HE2 MET 1 HE2 MET 1 -10.047 -2.755 -8.459
11 HE3 MET 1 HE3 MET 1 -10.231 -1.213 -9.292
12 H LYS 2 HN LYS 2 -3.515 -1.335 -10.885
13 HA LYS 2 HA LYS 2 -1.740 -1.384 -8.703
14 HB2 LYS 2 HB2 LYS 2 -1.061 0.886 -9.487
15 HB3 LYS 2 HB1 LYS 2 -1.151 -0.291 -10.797
16 HG2 LYS 2 HG2 LYS 2 -3.418 0.552 -11.381
17 HG3 LYS 2 HG1 LYS 2 -3.286 1.763 -10.107
18 HD2 LYS 2 HD2 LYS 2 -1.315 2.742 -11.209
19 HD3 LYS 2 HD1 LYS 2 -1.402 1.518 -12.476
20 HE2 LYS 2 HE2 LYS 2 -2.443 3.621 -13.226
21 HE3 LYS 2 HE1 LYS 2 -3.648 2.338 -13.113
22 HZ1 LYS 2 HZ1 LYS 2 -3.160 4.073 -10.791
23 HZ2 LYS 2 HZ2 LYS 2 -4.576 3.248 -11.241
24 HZ3 LYS 2 HZ3 LYS 2 -4.109 4.655 -12.071
25 H PHE 3 HN PHE 3 -1.667 -0.325 -6.770
26 HA PHE 3 HA PHE 3 -4.110 0.454 -5.526
27 HB2 PHE 3 HB2 PHE 3 -2.609 1.040 -3.606
28 HB3 PHE 3 HB1 PHE 3 -2.335 -0.588 -4.226
29 HD1 PHE 3 HD2 PHE 3 -0.970 2.864 -4.093
30 HD2 PHE 3 HD1 PHE 3 -0.271 -1.161 -5.441
31 HE1 PHE 3 HE2 PHE 3 1.396 3.427 -4.553
32 HE2 PHE 3 HE1 PHE 3 2.096 -0.589 -5.901
33 HZ PHE 3 HZ PHE 3 2.929 1.703 -5.458
34 H TYR 4 HN TYR 4 -4.631 2.500 -4.664
35 HA TYR 4 HA TYR 4 -4.281 4.683 -6.459
36 HB2 TYR 4 HB2 TYR 4 -5.361 4.589 -3.619
37 HB3 TYR 4 HB1 TYR 4 -5.464 5.997 -4.672
38 HD1 TYR 4 HD2 TYR 4 -6.477 5.648 -7.043
39 HD2 TYR 4 HD1 TYR 4 -7.135 2.927 -3.767
40 HE1 TYR 4 HE2 TYR 4 -8.479 4.750 -8.182
41 HE2 TYR 4 HE1 TYR 4 -9.135 2.034 -4.920
42 HH TYR 4 HH TYR 4 -10.725 2.667 -6.599
43 H THR 5 HN THR 5 -2.971 6.379 -6.440
44 HA THR 5 HA THR 5 -0.467 6.281 -5.145
45 HB THR 5 HB THR 5 -0.060 8.419 -6.197
46 HG1 THR 5 HG1 THR 5 -1.950 9.474 -7.163
47 HG21 THR 5 HG21 THR 5 -2.010 6.893 -7.963
48 HG22 THR 5 HG22 THR 5 -0.318 6.443 -7.736
49 HG23 THR 5 HG23 THR 5 -0.729 7.976 -8.504
50 H ILE 6 HN ILE 6 -3.420 7.013 -3.934
51 HA ILE 6 HA ILE 6 -2.504 8.983 -1.924
52 HB ILE 6 HB ILE 6 -5.338 8.020 -2.520
53 HG12 ILE 6 HG12 ILE 6 -5.306 10.570 -3.556
54 HG13 ILE 6 HG11 ILE 6 -3.643 10.125 -3.900
55 HG21 ILE 6 HG21 ILE 6 -4.257 10.416 -0.991
56 HG22 ILE 6 HG22 ILE 6 -5.058 9.006 -0.295
57 HG23 ILE 6 HG23 ILE 6 -5.962 10.114 -1.326
58 HD11 ILE 6 HD11 ILE 6 -5.155 9.628 -5.790
59 HD12 ILE 6 HD12 ILE 6 -6.101 8.555 -4.764
60 HD13 ILE 6 HD13 ILE 6 -4.431 8.152 -5.162
61 H LYS 7 HN LYS 7 -2.401 8.426 0.210
62 HA LYS 7 HA LYS 7 -2.480 5.611 0.936
63 HB2 LYS 7 HB2 LYS 7 -1.707 6.429 3.133
64 HB3 LYS 7 HB1 LYS 7 -0.732 7.086 1.818
65 HG2 LYS 7 HG2 LYS 7 -2.131 9.183 1.900
66 HG3 LYS 7 HG1 LYS 7 -2.967 8.529 3.308
67 HD2 LYS 7 HD2 LYS 7 -0.830 8.401 4.530
68 HD3 LYS 7 HD1 LYS 7 0.016 9.039 3.120
69 HE2 LYS 7 HE2 LYS 7 -0.421 10.832 4.752
70 HE3 LYS 7 HE1 LYS 7 -1.316 11.119 3.261
71 HZ1 LYS 7 HZ1 LYS 7 -3.219 11.018 4.365
72 HZ2 LYS 7 HZ2 LYS 7 -2.340 10.944 5.817
73 HZ3 LYS 7 HZ3 LYS 7 -2.826 9.513 5.042
74 H LEU 8 HN LEU 8 -5.018 6.878 0.130
75 HA LEU 8 HA LEU 8 -6.664 7.604 2.151
76 HB2 LEU 8 HB2 LEU 8 -8.490 6.656 0.565
77 HB3 LEU 8 HB1 LEU 8 -7.449 7.897 -0.072
78 HG LEU 8 HG LEU 8 -6.096 6.155 -1.178
79 HD11 LEU 8 HD11 LEU 8 -7.987 4.260 0.207
80 HD12 LEU 8 HD12 LEU 8 -6.236 4.175 0.051
81 HD13 LEU 8 HD13 LEU 8 -7.247 3.798 -1.326
82 HD21 LEU 8 HD21 LEU 8 -7.746 5.534 -2.894
83 HD22 LEU 8 HD22 LEU 8 -7.982 7.203 -2.378
84 HD23 LEU 8 HD23 LEU 8 -9.053 5.935 -1.780
85 HA PRO 9 HA PRO 9 -7.596 3.629 4.141
86 HB2 PRO 9 HB2 PRO 9 -9.696 4.317 5.650
87 HB3 PRO 9 HB1 PRO 9 -8.173 5.215 5.817
88 HG2 PRO 9 HG2 PRO 9 -10.732 6.090 4.558
89 HG3 PRO 9 HG1 PRO 9 -9.439 7.074 5.270
90 HD2 PRO 9 HD2 PRO 9 -9.819 6.365 2.442
91 HD3 PRO 9 HD1 PRO 9 -8.617 7.469 3.124
92 H LYS 10 HN LYS 10 -9.234 4.670 1.588
93 HA LYS 10 HA LYS 10 -10.215 3.052 0.047
94 HB2 LYS 10 HB2 LYS 10 -11.996 2.378 2.430
95 HB3 LYS 10 HB1 LYS 10 -12.406 1.940 0.788
96 HG2 LYS 10 HG2 LYS 10 -9.682 1.093 1.850
97 HG3 LYS 10 HG1 LYS 10 -11.106 0.174 2.321
98 HD2 LYS 10 HD2 LYS 10 -11.640 -0.205 -0.074
99 HD3 LYS 10 HD1 LYS 10 -10.212 0.715 -0.540
100 HE2 LYS 10 HE2 LYS 10 -9.710 -1.682 -0.598
101 HE3 LYS 10 HE1 LYS 10 -8.790 -0.917 0.699
102 HZ1 LYS 10 HZ1 LYS 10 -11.444 -2.099 1.216
103 HZ2 LYS 10 HZ2 LYS 10 -10.182 -1.792 2.311
104 HZ3 LYS 10 HZ3 LYS 10 -10.055 -3.071 1.200
105 H PHE 11 HN PHE 11 -10.150 5.751 0.466
106 HA PHE 11 HA PHE 11 -12.644 7.049 0.684
107 HB2 PHE 11 HB2 PHE 11 -10.407 8.133 0.833
108 HB3 PHE 11 HB1 PHE 11 -10.202 7.909 -0.888
109 HD1 PHE 11 HD1 PHE 11 -11.735 9.105 -2.522
110 HD2 PHE 11 HD2 PHE 11 -11.848 9.905 1.711
111 HE1 PHE 11 HE1 PHE 11 -12.945 11.223 -2.946
112 HE2 PHE 11 HE2 PHE 11 -13.075 12.011 1.272
113 HZ PHE 11 HZ PHE 11 -13.620 12.672 -1.052
114 H LEU 12 HN LEU 12 -10.726 6.693 -2.280
115 HA LEU 12 HA LEU 12 -12.891 7.139 -4.056
116 HB2 LEU 12 HB2 LEU 12 -10.235 5.702 -4.464
117 HB3 LEU 12 HB1 LEU 12 -11.312 6.119 -5.785
118 HG LEU 12 HG LEU 12 -10.077 8.164 -3.908
119 HD11 LEU 12 HD11 LEU 12 -8.322 7.040 -5.201
120 HD12 LEU 12 HD12 LEU 12 -8.542 8.686 -5.789
121 HD13 LEU 12 HD13 LEU 12 -9.217 7.330 -6.694
122 HD21 LEU 12 HD21 LEU 12 -12.056 9.125 -4.937
123 HD22 LEU 12 HD22 LEU 12 -11.666 8.417 -6.499
124 HD23 LEU 12 HD23 LEU 12 -10.695 9.740 -5.858
125 H GLY 13 HN GLY 13 -11.515 4.281 -2.580
126 HA2 GLY 13 HA2 GLY 13 -12.517 2.235 -4.115
127 HA3 GLY 13 HA1 GLY 13 -12.332 2.129 -2.376
128 H GLY 14 HN GLY 14 -14.277 3.712 -1.350
129 HA2 GLY 14 HA2 GLY 14 -16.700 2.209 -1.952
130 HA3 GLY 14 HA1 GLY 14 -16.494 3.429 -0.704
131 H ILE 15 HN ILE 15 -15.570 5.538 -2.305
132 HA ILE 15 HA ILE 15 -18.056 6.634 -3.233
133 HB ILE 15 HB ILE 15 -15.188 7.621 -3.310
134 HG12 ILE 15 HG12 ILE 15 -17.498 8.491 -1.506
135 HG13 ILE 15 HG11 ILE 15 -16.340 7.247 -1.041
136 HG21 ILE 15 HG21 ILE 15 -17.773 9.068 -4.034
137 HG22 ILE 15 HG22 ILE 15 -16.347 8.854 -5.050
138 HG23 ILE 15 HG23 ILE 15 -16.277 9.922 -3.658
139 HD11 ILE 15 HD11 ILE 15 -15.674 9.425 -0.130
140 HD12 ILE 15 HD12 ILE 15 -15.649 10.110 -1.756
141 HD13 ILE 15 HD13 ILE 15 -14.501 8.851 -1.311
142 H VAL 16 HN VAL 16 -15.003 5.901 -4.981
143 HA VAL 16 HA VAL 16 -15.937 6.704 -7.471
144 HB VAL 16 HB VAL 16 -13.548 5.942 -6.675
145 HG11 VAL 16 HG11 VAL 16 -14.226 3.358 -8.128
146 HG12 VAL 16 HG12 VAL 16 -14.447 3.465 -6.389
147 HG13 VAL 16 HG13 VAL 16 -12.846 3.709 -7.085
148 HG21 VAL 16 HG21 VAL 16 -14.552 5.422 -9.496
149 HG22 VAL 16 HG22 VAL 16 -12.853 5.611 -9.051
150 HG23 VAL 16 HG23 VAL 16 -13.970 6.963 -8.855
151 H ARG 17 HN ARG 17 -16.574 3.710 -5.758
152 HA ARG 17 HA ARG 17 -17.675 2.255 -7.968
153 HB2 ARG 17 HB2 ARG 17 -18.093 2.059 -4.969
154 HB3 ARG 17 HB1 ARG 17 -18.808 0.922 -6.107
155 HG2 ARG 17 HG2 ARG 17 -15.797 1.417 -6.069
156 HG3 ARG 17 HG1 ARG 17 -16.536 0.255 -4.977
157 HD2 ARG 17 HD2 ARG 17 -17.502 -0.935 -6.964
158 HD3 ARG 17 HD1 ARG 17 -16.614 0.163 -8.013
159 HE ARG 17 HE ARG 17 -14.801 -0.971 -6.184
160 HH11 ARG 17 HH21 ARG 17 -16.828 -1.863 -8.860
161 HH12 ARG 17 HH22 ARG 17 -15.815 -3.176 -9.362
162 HH21 ARG 17 HH11 ARG 17 -13.478 -2.686 -6.850
163 HH22 ARG 17 HH12 ARG 17 -13.920 -3.637 -8.228
164 H ALA 18 HN ALA 18 -18.874 4.583 -5.648
165 HA ALA 18 HA ALA 18 -21.640 4.350 -6.249
166 HB1 ALA 18 HB1 ALA 18 -21.926 6.387 -5.025
167 HB2 ALA 18 HB2 ALA 18 -20.289 6.936 -5.381
168 HB3 ALA 18 HB3 ALA 18 -20.546 5.593 -4.268
169 H MET 19 HN MET 19 -19.001 6.263 -7.606
170 HA MET 19 HA MET 19 -20.480 7.914 -9.352
171 HB2 MET 19 HB2 MET 19 -17.718 6.744 -9.818
172 HB3 MET 19 HB1 MET 19 -18.381 8.168 -10.601
173 HG2 MET 19 HG2 MET 19 -18.011 7.949 -7.591
174 HG3 MET 19 HG1 MET 19 -16.803 8.634 -8.669
175 HE1 MET 19 HE1 MET 19 -17.921 11.863 -7.158
176 HE2 MET 19 HE2 MET 19 -16.713 11.321 -8.322
177 HE3 MET 19 HE3 MET 19 -17.001 10.377 -6.861
178 H LEU 20 HN LEU 20 -18.975 4.757 -9.822
179 HA LEU 20 HA LEU 20 -19.792 4.344 -12.518
180 HB2 LEU 20 HB2 LEU 20 -19.021 2.401 -10.317
181 HB3 LEU 20 HB1 LEU 20 -19.182 1.964 -12.005
182 HG LEU 20 HG LEU 20 -17.200 3.979 -10.882
183 HD11 LEU 20 HD11 LEU 20 -16.783 1.188 -11.994
184 HD12 LEU 20 HD12 LEU 20 -16.653 1.657 -10.298
185 HD13 LEU 20 HD13 LEU 20 -15.503 2.285 -11.477
186 HD21 LEU 20 HD21 LEU 20 -17.520 4.774 -13.068
187 HD22 LEU 20 HD22 LEU 20 -17.846 3.169 -13.731
188 HD23 LEU 20 HD23 LEU 20 -16.197 3.640 -13.315
189 H GLY 21 HN GLY 21 -21.146 3.409 -9.390
190 HA2 GLY 21 HA2 GLY 21 -23.294 1.841 -10.344
191 HA3 GLY 21 HA1 GLY 21 -23.240 2.658 -8.783
192 H SER 22 HN SER 22 -22.766 5.251 -10.212
193 HA SER 22 HA SER 22 -25.583 5.991 -10.633
194 HB2 SER 22 HB2 SER 22 -23.059 7.680 -10.584
195 HB3 SER 22 HB1 SER 22 -24.711 8.292 -10.635
196 HG SER 22 HG SER 22 -25.029 7.647 -8.603
197 H PHE 23 HN PHE 23 -22.603 5.553 -12.385
198 HA PHE 23 HA PHE 23 -23.258 6.947 -14.753
199 HB2 PHE 23 HB2 PHE 23 -20.970 6.052 -13.847
200 HB3 PHE 23 HB1 PHE 23 -21.402 4.539 -14.631
201 HD1 PHE 23 HD1 PHE 23 -21.182 8.220 -15.237
202 HD2 PHE 23 HD2 PHE 23 -20.888 4.300 -16.992
203 HE1 PHE 23 HE1 PHE 23 -20.423 9.226 -17.379
204 HE2 PHE 23 HE2 PHE 23 -20.133 5.311 -19.127
205 HZ PHE 23 HZ PHE 23 -19.900 7.773 -19.320
206 H ARG 24 HN ARG 24 -23.431 3.499 -13.915
207 HA ARG 24 HA ARG 24 -24.461 1.715 -14.874
208 HB2 ARG 24 HB2 ARG 24 -26.704 3.626 -15.612
209 HB3 ARG 24 HB1 ARG 24 -26.810 1.938 -15.109
210 HG2 ARG 24 HG2 ARG 24 -25.855 2.667 -12.843
211 HG3 ARG 24 HG1 ARG 24 -26.052 4.323 -13.390
212 HD2 ARG 24 HD2 ARG 24 -28.301 2.303 -13.199
213 HD3 ARG 24 HD1 ARG 24 -27.984 3.572 -12.020
214 HE ARG 24 HE ARG 24 -29.197 3.888 -14.647
215 HH11 ARG 24 HH21 ARG 24 -27.486 5.445 -12.055
216 HH12 ARG 24 HH22 ARG 24 -28.053 7.031 -12.458
217 HH21 ARG 24 HH11 ARG 24 -29.936 5.966 -15.166
218 HH22 ARG 24 HH12 ARG 24 -29.437 7.326 -14.215
219 H LYS 25 HN LYS 25 -25.901 1.082 -16.945
220 HA LYS 25 HA LYS 25 -24.164 1.318 -19.176
221 HB2 LYS 25 HB2 LYS 25 -25.685 -0.618 -18.735
222 HB3 LYS 25 HB1 LYS 25 -27.061 0.410 -19.125
223 HG2 LYS 25 HG2 LYS 25 -26.242 0.717 -21.417
224 HG3 LYS 25 HG1 LYS 25 -24.756 -0.147 -21.039
225 HD2 LYS 25 HD2 LYS 25 -26.227 -1.667 -22.232
226 HD3 LYS 25 HD1 LYS 25 -26.123 -2.205 -20.560
227 HE2 LYS 25 HE2 LYS 25 -28.333 -1.371 -20.067
228 HE3 LYS 25 HE1 LYS 25 -28.389 -0.429 -21.560
229 HZ1 LYS 25 HZ1 LYS 25 -28.866 -3.246 -21.124
230 HZ2 LYS 25 HZ2 LYS 25 -27.936 -2.885 -22.497
231 HZ3 LYS 25 HZ3 LYS 25 -29.484 -2.209 -22.315
232 H ASP 26 HN ASP 26 -24.182 2.677 -20.908
233 HA ASP 26 HA ASP 26 -25.454 5.181 -20.778
234 HB2 ASP 26 HB2 ASP 26 -24.659 5.479 -23.098
235 HB3 ASP 26 HB1 ASP 26 -23.404 4.799 -22.068
Start of MODEL 9
1 H1 MET 1 HT1 MET 1 -6.956 -1.309 -13.933
2 H2 MET 1 HT2 MET 1 -7.144 -2.892 -13.347
3 H3 MET 1 HT3 MET 1 -5.992 -2.560 -14.551
4 HA MET 1 HA MET 1 -5.465 -2.724 -11.921
5 HB2 MET 1 HB2 MET 1 -3.877 -2.785 -13.865
6 HB3 MET 1 HB1 MET 1 -4.005 -1.034 -13.993
7 HG2 MET 1 HG2 MET 1 -1.975 -1.567 -12.758
8 HG3 MET 1 HG1 MET 1 -3.121 -0.855 -11.636
9 HE1 MET 1 HE1 MET 1 -0.669 -3.650 -12.151
10 HE2 MET 1 HE2 MET 1 -1.964 -4.232 -13.195
11 HE3 MET 1 HE3 MET 1 -1.530 -5.142 -11.751
12 H LYS 2 HN LYS 2 -5.536 -1.445 -10.159
13 HA LYS 2 HA LYS 2 -5.711 1.484 -10.359
14 HB2 LYS 2 HB2 LYS 2 -8.063 0.621 -10.448
15 HB3 LYS 2 HB1 LYS 2 -7.818 -0.146 -8.883
16 HG2 LYS 2 HG2 LYS 2 -7.343 2.065 -7.870
17 HG3 LYS 2 HG1 LYS 2 -7.561 2.836 -9.437
18 HD2 LYS 2 HD2 LYS 2 -9.708 1.249 -7.971
19 HD3 LYS 2 HD1 LYS 2 -9.589 3.005 -7.971
20 HE2 LYS 2 HE2 LYS 2 -11.134 2.710 -9.722
21 HE3 LYS 2 HE1 LYS 2 -9.643 2.639 -10.659
22 HZ1 LYS 2 HZ1 LYS 2 -10.455 0.128 -9.481
23 HZ2 LYS 2 HZ2 LYS 2 -9.914 0.468 -11.055
24 HZ3 LYS 2 HZ3 LYS 2 -11.538 0.738 -10.635
25 H PHE 3 HN PHE 3 -4.950 2.512 -8.507
26 HA PHE 3 HA PHE 3 -4.425 1.084 -6.047
27 HB2 PHE 3 HB2 PHE 3 -1.961 1.400 -6.150
28 HB3 PHE 3 HB1 PHE 3 -2.535 0.266 -7.370
29 HD1 PHE 3 HD2 PHE 3 -1.292 3.734 -6.796
30 HD2 PHE 3 HD1 PHE 3 -2.460 0.831 -9.762
31 HE1 PHE 3 HE2 PHE 3 -0.340 5.163 -8.582
32 HE2 PHE 3 HE1 PHE 3 -1.506 2.271 -11.538
33 HZ PHE 3 HZ PHE 3 -0.448 4.435 -10.949
34 H TYR 4 HN TYR 4 -2.988 2.544 -4.599
35 HA TYR 4 HA TYR 4 -3.271 5.425 -5.109
36 HB2 TYR 4 HB2 TYR 4 -4.462 5.841 -3.003
37 HB3 TYR 4 HB1 TYR 4 -5.436 4.801 -4.042
38 HD1 TYR 4 HD2 TYR 4 -3.183 4.877 -1.089
39 HD2 TYR 4 HD1 TYR 4 -5.927 2.482 -3.386
40 HE1 TYR 4 HE2 TYR 4 -3.190 3.169 0.687
41 HE2 TYR 4 HE1 TYR 4 -5.926 0.773 -1.589
42 HH TYR 4 HH TYR 4 -3.882 1.156 1.305
43 H THR 5 HN THR 5 -2.143 6.694 -3.485
44 HA THR 5 HA THR 5 -0.101 5.269 -1.860
45 HB THR 5 HB THR 5 1.020 5.868 -3.944
46 HG1 THR 5 HG1 THR 5 2.606 6.506 -2.766
47 HG21 THR 5 HG21 THR 5 -0.594 7.600 -4.684
48 HG22 THR 5 HG22 THR 5 1.067 8.179 -4.760
49 HG23 THR 5 HG23 THR 5 0.020 8.689 -3.441
50 H ILE 6 HN ILE 6 -2.512 7.415 -2.157
51 HA ILE 6 HA ILE 6 -1.785 9.582 -0.477
52 HB ILE 6 HB ILE 6 -4.443 8.380 -1.275
53 HG12 ILE 6 HG12 ILE 6 -3.526 10.967 -2.532
54 HG13 ILE 6 HG11 ILE 6 -2.575 9.567 -2.985
55 HG21 ILE 6 HG21 ILE 6 -3.828 11.040 0.056
56 HG22 ILE 6 HG22 ILE 6 -4.893 9.766 0.638
57 HG23 ILE 6 HG23 ILE 6 -5.353 10.711 -0.767
58 HD11 ILE 6 HD11 ILE 6 -5.595 9.739 -3.220
59 HD12 ILE 6 HD12 ILE 6 -4.579 8.386 -3.731
60 HD13 ILE 6 HD13 ILE 6 -4.447 9.945 -4.546
61 H LYS 7 HN LYS 7 -2.138 6.420 0.168
62 HA LYS 7 HA LYS 7 -2.486 5.083 2.020
63 HB2 LYS 7 HB2 LYS 7 -1.571 7.667 3.307
64 HB3 LYS 7 HB1 LYS 7 -1.667 6.128 4.156
65 HG2 LYS 7 HG2 LYS 7 0.202 5.221 3.053
66 HG3 LYS 7 HG1 LYS 7 -0.102 6.107 1.559
67 HD2 LYS 7 HD2 LYS 7 0.712 8.172 2.568
68 HD3 LYS 7 HD1 LYS 7 0.964 7.358 4.113
69 HE2 LYS 7 HE2 LYS 7 2.615 5.853 3.039
70 HE3 LYS 7 HE1 LYS 7 2.368 6.686 1.503
71 HZ1 LYS 7 HZ1 LYS 7 4.012 7.426 3.678
72 HZ2 LYS 7 HZ2 LYS 7 2.857 8.641 3.401
73 HZ3 LYS 7 HZ3 LYS 7 3.888 8.143 2.146
74 H LEU 8 HN LEU 8 -4.633 6.630 0.919
75 HA LEU 8 HA LEU 8 -6.299 7.824 2.733
76 HB2 LEU 8 HB2 LEU 8 -8.063 7.192 0.884
77 HB3 LEU 8 HB1 LEU 8 -6.756 8.250 0.441
78 HG LEU 8 HG LEU 8 -5.537 6.335 -0.542
79 HD11 LEU 8 HD11 LEU 8 -6.136 4.418 0.656
80 HD12 LEU 8 HD12 LEU 8 -6.950 4.166 -0.872
81 HD13 LEU 8 HD13 LEU 8 -7.865 4.734 0.525
82 HD21 LEU 8 HD21 LEU 8 -6.932 6.024 -2.488
83 HD22 LEU 8 HD22 LEU 8 -7.174 7.671 -1.909
84 HD23 LEU 8 HD23 LEU 8 -8.379 6.427 -1.574
85 HA PRO 9 HA PRO 9 -8.391 4.095 4.354
86 HB2 PRO 9 HB2 PRO 9 -10.418 5.241 5.663
87 HB3 PRO 9 HB1 PRO 9 -8.754 5.713 6.068
88 HG2 PRO 9 HG2 PRO 9 -10.836 7.275 4.612
89 HG3 PRO 9 HG1 PRO 9 -9.413 7.859 5.493
90 HD2 PRO 9 HD2 PRO 9 -9.666 7.310 2.605
91 HD3 PRO 9 HD1 PRO 9 -8.331 8.114 3.439
92 H LYS 10 HN LYS 10 -8.793 3.831 1.815
93 HA LYS 10 HA LYS 10 -10.138 3.121 0.114
94 HB2 LYS 10 HB2 LYS 10 -12.155 2.730 2.342
95 HB3 LYS 10 HB1 LYS 10 -12.279 2.050 0.725
96 HG2 LYS 10 HG2 LYS 10 -10.122 0.848 1.088
97 HG3 LYS 10 HG1 LYS 10 -10.081 1.459 2.740
98 HD2 LYS 10 HD2 LYS 10 -12.343 -0.246 1.612
99 HD3 LYS 10 HD1 LYS 10 -10.988 -0.900 2.520
100 HE2 LYS 10 HE2 LYS 10 -11.664 0.711 4.425
101 HE3 LYS 10 HE1 LYS 10 -13.173 0.946 3.539
102 HZ1 LYS 10 HZ1 LYS 10 -13.425 -0.812 5.125
103 HZ2 LYS 10 HZ2 LYS 10 -12.084 -1.642 4.491
104 HZ3 LYS 10 HZ3 LYS 10 -13.492 -1.461 3.559
105 H PHE 11 HN PHE 11 -9.979 5.880 0.307
106 HA PHE 11 HA PHE 11 -12.493 7.213 0.410
107 HB2 PHE 11 HB2 PHE 11 -10.209 8.319 0.512
108 HB3 PHE 11 HB1 PHE 11 -10.067 8.085 -1.200
109 HD1 PHE 11 HD2 PHE 11 -11.866 9.104 -2.773
110 HD2 PHE 11 HD1 PHE 11 -11.463 10.204 1.385
111 HE1 PHE 11 HE2 PHE 11 -13.183 11.153 -3.176
112 HE2 PHE 11 HE1 PHE 11 -12.796 12.249 0.957
113 HZ PHE 11 HZ PHE 11 -13.650 12.724 -1.318
114 H LEU 12 HN LEU 12 -10.512 6.825 -2.488
115 HA LEU 12 HA LEU 12 -12.664 7.068 -4.307
116 HB2 LEU 12 HB2 LEU 12 -9.879 5.878 -4.585
117 HB3 LEU 12 HB1 LEU 12 -10.933 6.140 -5.962
118 HG LEU 12 HG LEU 12 -10.017 8.369 -4.102
119 HD11 LEU 12 HD11 LEU 12 -8.074 7.393 -5.245
120 HD12 LEU 12 HD12 LEU 12 -8.430 8.977 -5.931
121 HD13 LEU 12 HD13 LEU 12 -8.904 7.514 -6.796
122 HD21 LEU 12 HD21 LEU 12 -11.445 8.362 -6.798
123 HD22 LEU 12 HD22 LEU 12 -10.670 9.802 -6.143
124 HD23 LEU 12 HD23 LEU 12 -12.015 9.073 -5.290
125 H GLY 13 HN GLY 13 -11.103 4.359 -2.741
126 HA2 GLY 13 HA2 GLY 13 -11.887 2.203 -4.237
127 HA3 GLY 13 HA1 GLY 13 -11.772 2.167 -2.489
128 H GLY 14 HN GLY 14 -13.874 3.689 -1.633
129 HA2 GLY 14 HA2 GLY 14 -16.146 1.969 -2.261
130 HA3 GLY 14 HA1 GLY 14 -16.089 3.247 -1.057
131 H ILE 15 HN ILE 15 -15.303 5.374 -2.662
132 HA ILE 15 HA ILE 15 -17.811 6.232 -3.744
133 HB ILE 15 HB ILE 15 -15.020 7.419 -3.695
134 HG12 ILE 15 HG12 ILE 15 -17.475 8.198 -2.049
135 HG13 ILE 15 HG11 ILE 15 -16.291 7.023 -1.483
136 HG21 ILE 15 HG21 ILE 15 -16.123 8.557 -5.522
137 HG22 ILE 15 HG22 ILE 15 -16.264 9.640 -4.145
138 HG23 ILE 15 HG23 ILE 15 -17.642 8.658 -4.630
139 HD11 ILE 15 HD11 ILE 15 -15.681 9.897 -2.240
140 HD12 ILE 15 HD12 ILE 15 -14.513 8.704 -1.680
141 HD13 ILE 15 HD13 ILE 15 -15.786 9.260 -0.597
142 H VAL 16 HN VAL 16 -14.645 5.619 -5.306
143 HA VAL 16 HA VAL 16 -15.443 6.375 -7.853
144 HB VAL 16 HB VAL 16 -13.091 5.710 -6.924
145 HG11 VAL 16 HG11 VAL 16 -12.282 3.498 -7.247
146 HG12 VAL 16 HG12 VAL 16 -13.604 3.072 -8.337
147 HG13 VAL 16 HG13 VAL 16 -13.904 3.218 -6.612
148 HG21 VAL 16 HG21 VAL 16 -13.905 5.087 -9.780
149 HG22 VAL 16 HG22 VAL 16 -12.245 5.357 -9.242
150 HG23 VAL 16 HG23 VAL 16 -13.425 6.665 -9.146
151 H ARG 17 HN ARG 17 -16.079 3.327 -6.192
152 HA ARG 17 HA ARG 17 -16.995 1.881 -8.493
153 HB2 ARG 17 HB2 ARG 17 -17.649 1.602 -5.538
154 HB3 ARG 17 HB1 ARG 17 -18.224 0.477 -6.773
155 HG2 ARG 17 HG2 ARG 17 -15.864 -0.003 -7.402
156 HG3 ARG 17 HG1 ARG 17 -15.321 1.077 -6.123
157 HD2 ARG 17 HD2 ARG 17 -17.032 -1.392 -5.685
158 HD3 ARG 17 HD1 ARG 17 -15.292 -1.323 -5.431
159 HE ARG 17 HE ARG 17 -16.531 0.725 -3.916
160 HH11 ARG 17 HH21 ARG 17 -16.193 -2.729 -4.086
161 HH12 ARG 17 HH22 ARG 17 -16.467 -2.977 -2.394
162 HH21 ARG 17 HH11 ARG 17 -16.909 0.379 -1.682
163 HH22 ARG 17 HH12 ARG 17 -16.841 -1.226 -1.041
164 H ALA 18 HN ALA 18 -18.403 4.156 -6.233
165 HA ALA 18 HA ALA 18 -21.120 3.855 -7.007
166 HB1 ALA 18 HB1 ALA 18 -20.163 5.145 -4.968
167 HB2 ALA 18 HB2 ALA 18 -21.547 5.862 -5.793
168 HB3 ALA 18 HB3 ALA 18 -19.928 6.497 -6.079
169 H MET 19 HN MET 19 -18.455 5.827 -8.209
170 HA MET 19 HA MET 19 -19.881 7.426 -10.056
171 HB2 MET 19 HB2 MET 19 -17.056 6.356 -10.330
172 HB3 MET 19 HB1 MET 19 -17.716 7.745 -11.173
173 HG2 MET 19 HG2 MET 19 -17.514 7.552 -8.143
174 HG3 MET 19 HG1 MET 19 -16.298 8.315 -9.156
175 HE1 MET 19 HE1 MET 19 -18.161 9.864 -6.695
176 HE2 MET 19 HE2 MET 19 -17.768 11.359 -7.538
177 HE3 MET 19 HE3 MET 19 -16.580 10.060 -7.465
178 H LEU 20 HN LEU 20 -18.254 4.322 -10.401
179 HA LEU 20 HA LEU 20 -18.850 3.865 -13.139
180 HB2 LEU 20 HB2 LEU 20 -18.199 1.970 -10.864
181 HB3 LEU 20 HB1 LEU 20 -18.218 1.505 -12.555
182 HG LEU 20 HG LEU 20 -16.398 3.606 -11.317
183 HD11 LEU 20 HD11 LEU 20 -15.793 0.823 -12.358
184 HD12 LEU 20 HD12 LEU 20 -15.809 1.309 -10.661
185 HD13 LEU 20 HD13 LEU 20 -14.599 1.974 -11.758
186 HD21 LEU 20 HD21 LEU 20 -15.205 3.254 -13.676
187 HD22 LEU 20 HD22 LEU 20 -16.557 4.364 -13.533
188 HD23 LEU 20 HD23 LEU 20 -16.817 2.745 -14.192
189 H GLY 21 HN GLY 21 -20.471 2.927 -10.137
190 HA2 GLY 21 HA2 GLY 21 -22.450 1.262 -11.238
191 HA3 GLY 21 HA1 GLY 21 -22.618 2.182 -9.744
192 H SER 22 HN SER 22 -22.098 4.713 -11.173
193 HA SER 22 HA SER 22 -24.823 5.394 -11.875
194 HB2 SER 22 HB2 SER 22 -23.008 6.897 -10.769
195 HB3 SER 22 HB1 SER 22 -22.410 7.159 -12.406
196 HG SER 22 HG SER 22 -24.556 8.214 -11.166
197 H PHE 23 HN PHE 23 -21.825 4.747 -13.512
198 HA PHE 23 HA PHE 23 -22.449 5.604 -16.093
199 HB2 PHE 23 HB2 PHE 23 -20.195 4.819 -14.968
200 HB3 PHE 23 HB1 PHE 23 -20.647 3.222 -15.541
201 HD1 PHE 23 HD1 PHE 23 -19.895 6.704 -16.568
202 HD2 PHE 23 HD2 PHE 23 -20.504 2.672 -17.927
203 HE1 PHE 23 HE1 PHE 23 -19.043 7.328 -18.820
204 HE2 PHE 23 HE2 PHE 23 -19.650 3.295 -20.172
205 HZ PHE 23 HZ PHE 23 -18.915 5.624 -20.616
206 H ARG 24 HN ARG 24 -22.995 2.494 -14.483
207 HA ARG 24 HA ARG 24 -23.767 0.928 -16.653
208 HB2 ARG 24 HB2 ARG 24 -25.026 0.852 -13.885
209 HB3 ARG 24 HB1 ARG 24 -24.959 -0.473 -15.043
210 HG2 ARG 24 HG2 ARG 24 -22.529 0.824 -13.748
211 HG3 ARG 24 HG1 ARG 24 -23.265 -0.679 -13.210
212 HD2 ARG 24 HD2 ARG 24 -21.865 -0.174 -15.864
213 HD3 ARG 24 HD1 ARG 24 -21.373 -1.264 -14.582
214 HE ARG 24 HE ARG 24 -23.935 -2.056 -15.391
215 HH11 ARG 24 HH21 ARG 24 -20.726 -1.794 -16.702
216 HH12 ARG 24 HH22 ARG 24 -20.909 -3.152 -17.761
217 HH21 ARG 24 HH11 ARG 24 -24.165 -3.823 -16.792
218 HH22 ARG 24 HH12 ARG 24 -22.851 -4.287 -17.820
219 H LYS 25 HN LYS 25 -25.674 3.257 -14.795
220 HA LYS 25 HA LYS 25 -28.203 2.685 -15.932
221 HB2 LYS 25 HB2 LYS 25 -27.785 4.060 -13.874
222 HB3 LYS 25 HB1 LYS 25 -27.173 5.356 -14.899
223 HG2 LYS 25 HG2 LYS 25 -29.362 5.507 -16.038
224 HG3 LYS 25 HG1 LYS 25 -29.971 4.174 -15.057
225 HD2 LYS 25 HD2 LYS 25 -29.605 5.509 -13.009
226 HD3 LYS 25 HD1 LYS 25 -29.003 6.847 -13.987
227 HE2 LYS 25 HE2 LYS 25 -31.189 7.008 -15.122
228 HE3 LYS 25 HE1 LYS 25 -31.788 5.652 -14.164
229 HZ1 LYS 25 HZ1 LYS 25 -31.236 6.993 -12.157
230 HZ2 LYS 25 HZ2 LYS 25 -32.494 7.630 -13.104
231 HZ3 LYS 25 HZ3 LYS 25 -30.942 8.316 -13.176
232 H ASP 26 HN ASP 26 -29.158 3.347 -17.822
233 HA ASP 26 HA ASP 26 -27.595 4.088 -20.026
234 HB2 ASP 26 HB2 ASP 26 -29.811 2.963 -20.157
235 HB3 ASP 26 HB1 ASP 26 -30.585 4.468 -19.671
Start of MODEL 10
1 H1 MET 1 HT1 MET 1 -2.284 -5.265 -9.251
2 H2 MET 1 HT2 MET 1 -3.553 -4.151 -9.064
3 H3 MET 1 HT3 MET 1 -2.640 -4.639 -7.717
4 HA MET 1 HA MET 1 -0.714 -3.522 -8.485
5 HB2 MET 1 HB2 MET 1 -1.111 -4.096 -10.894
6 HB3 MET 1 HB1 MET 1 -2.353 -2.848 -10.963
7 HG2 MET 1 HG2 MET 1 -0.672 -1.130 -10.396
8 HG3 MET 1 HG1 MET 1 0.570 -2.376 -10.275
9 HE1 MET 1 HE1 MET 1 1.042 0.078 -12.018
10 HE2 MET 1 HE2 MET 1 1.693 -0.646 -13.486
11 HE3 MET 1 HE3 MET 1 2.142 -1.302 -11.913
12 H LYS 2 HN LYS 2 -0.835 -1.958 -6.959
13 HA LYS 2 HA LYS 2 -3.153 -0.371 -6.444
14 HB2 LYS 2 HB2 LYS 2 -0.269 0.145 -5.623
15 HB3 LYS 2 HB1 LYS 2 -1.702 0.852 -4.883
16 HG2 LYS 2 HG2 LYS 2 -1.142 -2.143 -4.926
17 HG3 LYS 2 HG1 LYS 2 -0.677 -1.088 -3.596
18 HD2 LYS 2 HD2 LYS 2 -3.106 -0.450 -3.335
19 HD3 LYS 2 HD1 LYS 2 -3.515 -1.653 -4.552
20 HE2 LYS 2 HE2 LYS 2 -2.085 -2.245 -1.948
21 HE3 LYS 2 HE1 LYS 2 -3.787 -2.567 -2.278
22 HZ1 LYS 2 HZ1 LYS 2 -1.428 -3.980 -3.189
23 HZ2 LYS 2 HZ2 LYS 2 -2.623 -3.739 -4.373
24 HZ3 LYS 2 HZ3 LYS 2 -3.004 -4.550 -2.930
25 H PHE 3 HN PHE 3 -3.791 1.530 -7.298
26 HA PHE 3 HA PHE 3 -1.996 2.946 -9.222
27 HB2 PHE 3 HB2 PHE 3 -4.069 3.740 -10.295
28 HB3 PHE 3 HB1 PHE 3 -3.975 1.981 -10.291
29 HD1 PHE 3 HD1 PHE 3 -5.692 4.923 -8.830
30 HD2 PHE 3 HD2 PHE 3 -5.459 0.625 -8.847
31 HE1 PHE 3 HE1 PHE 3 -7.859 4.795 -7.635
32 HE2 PHE 3 HE2 PHE 3 -7.626 0.507 -7.652
33 HZ PHE 3 HZ PHE 3 -8.827 2.590 -7.047
34 H TYR 4 HN TYR 4 -4.425 3.389 -6.663
35 HA TYR 4 HA TYR 4 -4.250 6.227 -6.590
36 HB2 TYR 4 HB2 TYR 4 -5.402 6.042 -4.418
37 HB3 TYR 4 HB1 TYR 4 -6.189 5.098 -5.674
38 HD1 TYR 4 HD1 TYR 4 -5.822 2.588 -5.781
39 HD2 TYR 4 HD2 TYR 4 -4.500 4.944 -2.436
40 HE1 TYR 4 HE1 TYR 4 -5.659 0.541 -4.401
41 HE2 TYR 4 HE2 TYR 4 -4.340 2.884 -1.063
42 HH TYR 4 HH TYR 4 -4.864 -0.315 -2.470
43 H THR 5 HN THR 5 -2.456 3.681 -4.951
44 HA THR 5 HA THR 5 -0.699 3.723 -3.481
45 HB THR 5 HB THR 5 0.355 4.159 -5.631
46 HG1 THR 5 HG1 THR 5 2.256 5.005 -4.769
47 HG21 THR 5 HG21 THR 5 -0.566 6.238 -6.409
48 HG22 THR 5 HG22 THR 5 1.138 6.533 -6.107
49 HG23 THR 5 HG23 THR 5 -0.057 7.092 -4.953
50 H ILE 6 HN ILE 6 -2.725 5.125 -2.295
51 HA ILE 6 HA ILE 6 -1.273 7.130 -0.641
52 HB ILE 6 HB ILE 6 -4.055 7.345 -1.830
53 HG12 ILE 6 HG12 ILE 6 -1.951 9.534 -2.000
54 HG13 ILE 6 HG11 ILE 6 -1.847 8.181 -3.096
55 HG21 ILE 6 HG21 ILE 6 -2.769 9.175 0.232
56 HG22 ILE 6 HG22 ILE 6 -4.128 8.112 0.534
57 HG23 ILE 6 HG23 ILE 6 -4.315 9.466 -0.560
58 HD11 ILE 6 HD11 ILE 6 -3.141 10.124 -4.010
59 HD12 ILE 6 HD12 ILE 6 -4.366 9.836 -2.769
60 HD13 ILE 6 HD13 ILE 6 -4.035 8.606 -3.996
61 H LYS 7 HN LYS 7 -1.769 6.971 1.572
62 HA LYS 7 HA LYS 7 -2.736 4.430 2.503
63 HB2 LYS 7 HB2 LYS 7 -2.020 6.985 3.975
64 HB3 LYS 7 HB1 LYS 7 -2.300 5.423 4.750
65 HG2 LYS 7 HG2 LYS 7 -0.446 4.431 3.472
66 HG3 LYS 7 HG1 LYS 7 -0.168 5.967 2.649
67 HD2 LYS 7 HD2 LYS 7 0.340 7.042 4.805
68 HD3 LYS 7 HD1 LYS 7 0.055 5.516 5.646
69 HE2 LYS 7 HE2 LYS 7 1.898 4.469 4.376
70 HE3 LYS 7 HE1 LYS 7 2.186 5.994 3.535
71 HZ1 LYS 7 HZ1 LYS 7 2.486 6.991 5.812
72 HZ2 LYS 7 HZ2 LYS 7 3.708 5.927 5.300
73 HZ3 LYS 7 HZ3 LYS 7 2.536 5.407 6.415
74 H LEU 8 HN LEU 8 -4.651 6.496 1.170
75 HA LEU 8 HA LEU 8 -6.531 7.342 3.018
76 HB2 LEU 8 HB2 LEU 8 -7.981 7.517 0.938
77 HB3 LEU 8 HB1 LEU 8 -6.473 8.337 0.843
78 HG LEU 8 HG LEU 8 -5.564 6.269 -0.362
79 HD11 LEU 8 HD11 LEU 8 -6.913 4.438 -0.024
80 HD12 LEU 8 HD12 LEU 8 -7.600 4.976 -1.545
81 HD13 LEU 8 HD13 LEU 8 -8.403 5.368 -0.028
82 HD21 LEU 8 HD21 LEU 8 -6.558 6.896 -2.516
83 HD22 LEU 8 HD22 LEU 8 -6.231 8.336 -1.566
84 HD23 LEU 8 HD23 LEU 8 -7.856 7.713 -1.686
85 HA PRO 9 HA PRO 9 -8.841 3.467 3.482
86 HB2 PRO 9 HB2 PRO 9 -11.006 4.333 4.738
87 HB3 PRO 9 HB1 PRO 9 -9.416 4.837 5.361
88 HG2 PRO 9 HG2 PRO 9 -11.401 6.426 3.759
89 HG3 PRO 9 HG1 PRO 9 -10.313 6.975 5.050
90 HD2 PRO 9 HD2 PRO 9 -9.818 7.050 2.189
91 HD3 PRO 9 HD1 PRO 9 -8.696 7.548 3.466
92 H LYS 10 HN LYS 10 -8.984 3.609 0.852
93 HA LYS 10 HA LYS 10 -10.207 3.162 -1.021
94 HB2 LYS 10 HB2 LYS 10 -11.090 1.423 0.653
95 HB3 LYS 10 HB1 LYS 10 -12.507 2.442 0.849
96 HG2 LYS 10 HG2 LYS 10 -12.959 2.294 -1.566
97 HG3 LYS 10 HG1 LYS 10 -11.538 1.294 -1.800
98 HD2 LYS 10 HD2 LYS 10 -13.850 0.504 0.028
99 HD3 LYS 10 HD1 LYS 10 -13.763 0.031 -1.665
100 HE2 LYS 10 HE2 LYS 10 -11.878 -0.802 0.578
101 HE3 LYS 10 HE1 LYS 10 -12.899 -1.830 -0.412
102 HZ1 LYS 10 HZ1 LYS 10 -10.728 -2.022 -1.253
103 HZ2 LYS 10 HZ2 LYS 10 -10.480 -0.341 -1.251
104 HZ3 LYS 10 HZ3 LYS 10 -11.562 -1.043 -2.358
105 H PHE 11 HN PHE 11 -10.066 5.734 -0.683
106 HA PHE 11 HA PHE 11 -12.355 7.269 -0.239
107 HB2 PHE 11 HB2 PHE 11 -9.905 7.970 -0.441
108 HB3 PHE 11 HB1 PHE 11 -10.123 7.972 -2.159
109 HD1 PHE 11 HD1 PHE 11 -12.180 9.390 -3.108
110 HD2 PHE 11 HD2 PHE 11 -10.337 9.987 0.763
111 HE1 PHE 11 HE1 PHE 11 -13.099 11.684 -3.005
112 HE2 PHE 11 HE2 PHE 11 -11.282 12.277 0.840
113 HZ PHE 11 HZ PHE 11 -12.656 13.124 -1.040
114 H LEU 12 HN LEU 12 -10.905 7.052 -3.447
115 HA LEU 12 HA LEU 12 -13.301 7.566 -4.850
116 HB2 LEU 12 HB2 LEU 12 -10.651 6.366 -5.723
117 HB3 LEU 12 HB1 LEU 12 -11.900 6.874 -6.848
118 HG LEU 12 HG LEU 12 -10.585 8.749 -4.840
119 HD11 LEU 12 HD11 LEU 12 -8.920 7.932 -6.455
120 HD12 LEU 12 HD12 LEU 12 -9.295 9.625 -6.768
121 HD13 LEU 12 HD13 LEU 12 -9.985 8.366 -7.793
122 HD21 LEU 12 HD21 LEU 12 -11.509 10.499 -6.541
123 HD22 LEU 12 HD22 LEU 12 -12.679 9.730 -5.489
124 HD23 LEU 12 HD23 LEU 12 -12.518 9.193 -7.159
125 H GLY 13 HN GLY 13 -11.556 4.659 -3.974
126 HA2 GLY 13 HA2 GLY 13 -12.741 2.747 -5.548
127 HA3 GLY 13 HA1 GLY 13 -12.211 2.462 -3.898
128 H GLY 14 HN GLY 14 -14.030 3.984 -2.440
129 HA2 GLY 14 HA2 GLY 14 -16.437 2.337 -2.633
130 HA3 GLY 14 HA1 GLY 14 -16.061 3.526 -1.393
131 H ILE 15 HN ILE 15 -15.570 5.746 -2.999
132 HA ILE 15 HA ILE 15 -18.247 6.706 -3.454
133 HB ILE 15 HB ILE 15 -15.509 7.921 -3.924
134 HG12 ILE 15 HG12 ILE 15 -17.506 8.473 -1.683
135 HG13 ILE 15 HG11 ILE 15 -16.183 7.319 -1.526
136 HG21 ILE 15 HG21 ILE 15 -16.797 10.139 -3.905
137 HG22 ILE 15 HG22 ILE 15 -18.272 9.192 -4.073
138 HG23 ILE 15 HG23 ILE 15 -17.046 9.152 -5.340
139 HD11 ILE 15 HD11 ILE 15 -14.561 9.140 -2.038
140 HD12 ILE 15 HD12 ILE 15 -15.503 9.462 -0.581
141 HD13 ILE 15 HD13 ILE 15 -15.901 10.287 -2.087
142 H VAL 16 HN VAL 16 -15.442 6.373 -5.645
143 HA VAL 16 HA VAL 16 -16.791 7.199 -7.937
144 HB VAL 16 HB VAL 16 -14.228 6.636 -7.452
145 HG11 VAL 16 HG11 VAL 16 -13.378 4.551 -8.241
146 HG12 VAL 16 HG12 VAL 16 -14.869 4.155 -9.098
147 HG13 VAL 16 HG13 VAL 16 -14.818 4.064 -7.347
148 HG21 VAL 16 HG21 VAL 16 -15.495 6.311 -10.193
149 HG22 VAL 16 HG22 VAL 16 -13.784 6.645 -9.898
150 HG23 VAL 16 HG23 VAL 16 -15.006 7.832 -9.437
151 H ARG 17 HN ARG 17 -16.794 4.077 -6.362
152 HA ARG 17 HA ARG 17 -17.919 2.558 -8.473
153 HB2 ARG 17 HB2 ARG 17 -16.781 1.658 -6.455
154 HB3 ARG 17 HB1 ARG 17 -18.139 2.191 -5.467
155 HG2 ARG 17 HG2 ARG 17 -19.661 0.721 -6.693
156 HG3 ARG 17 HG1 ARG 17 -18.367 0.247 -7.796
157 HD2 ARG 17 HD2 ARG 17 -18.636 -1.488 -6.100
158 HD3 ARG 17 HD1 ARG 17 -17.091 -0.670 -5.856
159 HE ARG 17 HE ARG 17 -19.102 0.592 -4.293
160 HH11 ARG 17 HH21 ARG 17 -17.255 -2.343 -4.502
161 HH12 ARG 17 HH22 ARG 17 -17.292 -2.642 -2.796
162 HH21 ARG 17 HH11 ARG 17 -19.142 0.196 -2.063
163 HH22 ARG 17 HH12 ARG 17 -18.359 -1.208 -1.418
164 H ALA 18 HN ALA 18 -19.179 4.579 -5.909
165 HA ALA 18 HA ALA 18 -21.929 3.968 -6.214
166 HB1 ALA 18 HB1 ALA 18 -20.804 5.277 -4.297
167 HB2 ALA 18 HB2 ALA 18 -22.354 5.901 -4.859
168 HB3 ALA 18 HB3 ALA 18 -20.857 6.686 -5.358
169 H MET 19 HN MET 19 -19.764 6.319 -7.724
170 HA MET 19 HA MET 19 -21.660 7.786 -9.222
171 HB2 MET 19 HB2 MET 19 -18.812 7.108 -10.034
172 HB3 MET 19 HB1 MET 19 -19.772 8.440 -10.648
173 HG2 MET 19 HG2 MET 19 -19.017 8.123 -7.725
174 HG3 MET 19 HG1 MET 19 -18.087 9.079 -8.866
175 HE1 MET 19 HE1 MET 19 -19.771 11.662 -6.598
176 HE2 MET 19 HE2 MET 19 -18.272 11.061 -7.309
177 HE3 MET 19 HE3 MET 19 -19.177 10.044 -6.195
178 H LEU 20 HN LEU 20 -19.730 4.948 -10.025
179 HA LEU 20 HA LEU 20 -20.738 4.530 -12.650
180 HB2 LEU 20 HB2 LEU 20 -19.446 2.649 -10.655
181 HB3 LEU 20 HB1 LEU 20 -19.723 2.252 -12.339
182 HG LEU 20 HG LEU 20 -17.997 4.548 -11.345
183 HD11 LEU 20 HD11 LEU 20 -16.098 3.182 -12.133
184 HD12 LEU 20 HD12 LEU 20 -17.213 1.884 -12.559
185 HD13 LEU 20 HD13 LEU 20 -17.006 2.350 -10.870
186 HD21 LEU 20 HD21 LEU 20 -17.193 4.403 -13.868
187 HD22 LEU 20 HD22 LEU 20 -18.654 5.291 -13.471
188 HD23 LEU 20 HD23 LEU 20 -18.772 3.657 -14.135
189 H GLY 21 HN GLY 21 -21.658 3.300 -9.474
190 HA2 GLY 21 HA2 GLY 21 -23.545 1.387 -10.275
191 HA3 GLY 21 HA1 GLY 21 -23.578 2.251 -8.742
192 H SER 22 HN SER 22 -23.692 4.861 -10.181
193 HA SER 22 HA SER 22 -26.611 5.006 -10.521
194 HB2 SER 22 HB2 SER 22 -24.477 7.165 -10.580
195 HB3 SER 22 HB1 SER 22 -26.218 7.438 -10.593
196 HG SER 22 HG SER 22 -24.619 7.053 -8.510
197 H PHE 23 HN PHE 23 -23.659 5.622 -12.366
198 HA PHE 23 HA PHE 23 -24.886 6.555 -14.733
199 HB2 PHE 23 HB2 PHE 23 -22.452 6.798 -13.902
200 HB3 PHE 23 HB1 PHE 23 -22.175 5.184 -14.541
201 HD1 PHE 23 HD1 PHE 23 -23.602 8.514 -15.468
202 HD2 PHE 23 HD2 PHE 23 -21.577 4.989 -16.880
203 HE1 PHE 23 HE1 PHE 23 -23.346 9.551 -17.713
204 HE2 PHE 23 HE2 PHE 23 -21.324 6.030 -19.117
205 HZ PHE 23 HZ PHE 23 -22.207 8.309 -19.533
206 H ARG 24 HN ARG 24 -23.565 3.394 -13.837
207 HA ARG 24 HA ARG 24 -23.714 1.321 -14.748
208 HB2 ARG 24 HB2 ARG 24 -26.586 2.071 -15.395
209 HB3 ARG 24 HB1 ARG 24 -25.942 0.494 -14.936
210 HG2 ARG 24 HG2 ARG 24 -25.312 1.502 -12.682
211 HG3 ARG 24 HG1 ARG 24 -26.167 2.955 -13.172
212 HD2 ARG 24 HD2 ARG 24 -27.677 1.595 -11.833
213 HD3 ARG 24 HD1 ARG 24 -28.246 1.600 -13.501
214 HE ARG 24 HE ARG 24 -26.521 -0.614 -13.107
215 HH11 ARG 24 HH21 ARG 24 -29.661 0.577 -12.213
216 HH12 ARG 24 HH22 ARG 24 -30.344 -1.001 -12.006
217 HH21 ARG 24 HH11 ARG 24 -27.424 -2.673 -12.834
218 HH22 ARG 24 HH12 ARG 24 -29.081 -2.836 -12.356
219 H LYS 25 HN LYS 25 -22.729 3.289 -16.573
220 HA LYS 25 HA LYS 25 -22.264 3.608 -18.801
221 HB2 LYS 25 HB2 LYS 25 -23.108 0.692 -18.877
222 HB3 LYS 25 HB1 LYS 25 -22.270 1.522 -20.188
223 HG2 LYS 25 HG2 LYS 25 -20.376 2.009 -18.677
224 HG3 LYS 25 HG1 LYS 25 -21.212 1.184 -17.361
225 HD2 LYS 25 HD2 LYS 25 -21.199 -0.918 -18.682
226 HD3 LYS 25 HD1 LYS 25 -20.338 -0.087 -19.977
227 HE2 LYS 25 HE2 LYS 25 -19.324 -0.445 -17.137
228 HE3 LYS 25 HE1 LYS 25 -18.777 -1.356 -18.545
229 HZ1 LYS 25 HZ1 LYS 25 -17.273 0.255 -18.758
230 HZ2 LYS 25 HZ2 LYS 25 -18.097 1.306 -17.708
231 HZ3 LYS 25 HZ3 LYS 25 -18.540 1.217 -19.346
232 H ASP 26 HN ASP 26 -24.794 4.531 -18.044
233 HA ASP 26 HA ASP 26 -26.907 3.669 -19.727
234 HB2 ASP 26 HB2 ASP 26 -27.215 5.059 -17.690
235 HB3 ASP 26 HB1 ASP 26 -26.449 6.415 -18.512
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