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 |
|
|
588190 |
2mrw   |
25096 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 HT1 MET 1 -12.229 4.195 24.434
2 H2 MET 1 HT2 MET 1 -13.456 3.306 25.181
3 H3 MET 1 HT3 MET 1 -13.803 4.243 23.820
4 HA MET 1 HA MET 1 -12.332 2.860 22.484
5 HB2 MET 1 HB2 MET 1 -11.945 1.590 25.142
6 HB3 MET 1 HB1 MET 1 -12.009 0.522 23.746
7 HG2 MET 1 HG2 MET 1 -10.136 2.858 24.068
8 HG3 MET 1 HG1 MET 1 -9.721 1.165 24.331
9 HE1 MET 1 HE1 MET 1 -7.784 1.710 21.049
10 HE2 MET 1 HE2 MET 1 -7.749 1.095 22.703
11 HE3 MET 1 HE3 MET 1 -7.915 2.825 22.406
12 H LYS 2 HN LYS 2 -14.314 2.898 21.418
13 HA LYS 2 HA LYS 2 -16.446 1.135 22.306
14 HB2 LYS 2 HB2 LYS 2 -16.640 3.512 21.197
15 HB3 LYS 2 HB1 LYS 2 -16.453 2.618 19.695
16 HG2 LYS 2 HG2 LYS 2 -18.470 1.591 21.579
17 HG3 LYS 2 HG1 LYS 2 -18.819 3.152 20.832
18 HD2 LYS 2 HD2 LYS 2 -18.530 2.178 18.624
19 HD3 LYS 2 HD1 LYS 2 -18.086 0.628 19.341
20 HE2 LYS 2 HE2 LYS 2 -20.297 0.440 20.327
21 HE3 LYS 2 HE1 LYS 2 -20.746 2.011 19.673
22 HZ1 LYS 2 HZ1 LYS 2 -20.485 1.130 17.446
23 HZ2 LYS 2 HZ2 LYS 2 -21.588 0.188 18.314
24 HZ3 LYS 2 HZ3 LYS 2 -20.015 -0.371 18.060
25 H VAL 3 HN VAL 3 -13.825 1.195 20.068
26 HA VAL 3 HA VAL 3 -14.593 -1.467 19.102
27 HB VAL 3 HB VAL 3 -15.027 0.366 17.398
28 HG11 VAL 3 HG11 VAL 3 -12.015 0.487 17.363
29 HG12 VAL 3 HG12 VAL 3 -13.125 1.778 17.825
30 HG13 VAL 3 HG13 VAL 3 -13.081 1.212 16.157
31 HG21 VAL 3 HG21 VAL 3 -14.822 -1.972 16.760
32 HG22 VAL 3 HG22 VAL 3 -13.070 -1.805 16.646
33 HG23 VAL 3 HG23 VAL 3 -14.115 -0.924 15.532
34 H HIS 4 HN HIS 4 -12.686 -2.670 18.214
35 HA HIS 4 HA HIS 4 -10.400 -2.275 19.962
36 HB2 HIS 4 HB2 HIS 4 -11.682 -4.524 19.158
37 HB3 HIS 4 HB1 HIS 4 -10.388 -4.471 17.968
38 HD1 HIS 4 HD1 HIS 4 -11.086 -5.163 21.541
39 HD2 HIS 4 HD2 HIS 4 -7.775 -4.831 19.056
40 HE1 HIS 4 HE1 HIS 4 -9.163 -6.133 22.838
41 HE2 HIS 4 HE2 HIS 4 -7.145 -5.753 21.384
42 H ARG 5 HN ARG 5 -8.221 -2.163 19.160
43 HA ARG 5 HA ARG 5 -7.828 -0.403 17.031
44 HB2 ARG 5 HB2 ARG 5 -5.910 -2.315 18.367
45 HB3 ARG 5 HB1 ARG 5 -5.412 -1.123 17.174
46 HG2 ARG 5 HG2 ARG 5 -6.324 0.651 18.643
47 HG3 ARG 5 HG1 ARG 5 -6.655 -0.586 19.853
48 HD2 ARG 5 HD2 ARG 5 -3.946 0.085 18.718
49 HD3 ARG 5 HD1 ARG 5 -4.549 0.580 20.296
50 HE ARG 5 HE ARG 5 -3.892 -2.178 19.495
51 HH11 ARG 5 HH11 ARG 5 -4.500 0.210 21.989
52 HH12 ARG 5 HH12 ARG 5 -4.013 -0.840 23.279
53 HH21 ARG 5 HH21 ARG 5 -3.237 -3.543 21.200
54 HH22 ARG 5 HH22 ARG 5 -3.311 -2.968 22.837
55 H MET 6 HN MET 6 -7.559 -3.923 17.174
56 HA MET 6 HA MET 6 -7.718 -3.968 14.248
57 HB2 MET 6 HB2 MET 6 -6.252 -5.946 14.191
58 HB3 MET 6 HB1 MET 6 -5.428 -4.545 14.854
59 HG2 MET 6 HG2 MET 6 -6.634 -6.726 16.540
60 HG3 MET 6 HG1 MET 6 -4.957 -6.710 16.004
61 HE1 MET 6 HE1 MET 6 -5.688 -6.997 19.061
62 HE2 MET 6 HE2 MET 6 -4.515 -5.885 19.766
63 HE3 MET 6 HE3 MET 6 -4.046 -6.920 18.420
64 HA PRO 7 HA PRO 7 -11.159 -6.477 15.870
65 HB2 PRO 7 HB2 PRO 7 -12.935 -5.279 14.031
66 HB3 PRO 7 HB1 PRO 7 -12.778 -4.905 15.748
67 HG2 PRO 7 HG2 PRO 7 -12.143 -3.199 13.614
68 HG3 PRO 7 HG1 PRO 7 -11.690 -2.971 15.309
69 HD2 PRO 7 HD2 PRO 7 -10.077 -4.024 13.041
70 HD3 PRO 7 HD1 PRO 7 -9.561 -3.094 14.465
71 H LYS 8 HN LYS 8 -12.695 -7.931 14.703
72 HA LYS 8 HA LYS 8 -11.487 -8.851 12.183
73 HB2 LYS 8 HB2 LYS 8 -11.705 -10.269 14.477
74 HB3 LYS 8 HB1 LYS 8 -13.218 -10.710 13.700
75 HG2 LYS 8 HG2 LYS 8 -11.985 -11.444 11.720
76 HG3 LYS 8 HG1 LYS 8 -10.468 -11.007 12.505
77 HD2 LYS 8 HD2 LYS 8 -12.424 -13.024 13.599
78 HD3 LYS 8 HD1 LYS 8 -11.022 -13.440 12.611
79 HE2 LYS 8 HE2 LYS 8 -9.574 -12.344 14.310
80 HE3 LYS 8 HE1 LYS 8 -11.004 -12.096 15.314
81 HZ1 LYS 8 HZ1 LYS 8 -9.769 -14.070 15.970
82 HZ2 LYS 8 HZ2 LYS 8 -9.959 -14.732 14.427
83 HZ3 LYS 8 HZ3 LYS 8 -11.312 -14.481 15.411
84 H GLY 9 HN GLY 9 -13.808 -10.706 11.837
85 HA2 GLY 9 HA2 GLY 9 -16.185 -10.392 11.438
86 HA3 GLY 9 HA1 GLY 9 -15.838 -8.705 11.080
87 H VAL 10 HN VAL 10 -15.102 -8.125 9.067
88 HA VAL 10 HA VAL 10 -15.286 -10.237 7.031
89 HB VAL 10 HB VAL 10 -15.324 -7.240 6.603
90 HG11 VAL 10 HG11 VAL 10 -16.120 -9.502 4.770
91 HG12 VAL 10 HG12 VAL 10 -14.632 -8.563 4.650
92 HG13 VAL 10 HG13 VAL 10 -16.192 -7.780 4.399
93 HG21 VAL 10 HG21 VAL 10 -17.234 -7.990 7.966
94 HG22 VAL 10 HG22 VAL 10 -17.658 -9.149 6.706
95 HG23 VAL 10 HG23 VAL 10 -17.732 -7.419 6.373
96 H VAL 11 HN VAL 11 -13.267 -11.120 6.966
97 HA VAL 11 HA VAL 11 -11.112 -9.336 6.085
98 HB VAL 11 HB VAL 11 -10.813 -9.774 8.503
99 HG11 VAL 11 HG11 VAL 11 -11.835 -11.940 8.702
100 HG12 VAL 11 HG12 VAL 11 -10.161 -12.033 9.249
101 HG13 VAL 11 HG13 VAL 11 -10.607 -12.658 7.661
102 HG21 VAL 11 HG21 VAL 11 -8.862 -9.351 7.128
103 HG22 VAL 11 HG22 VAL 11 -8.732 -11.070 6.750
104 HG23 VAL 11 HG23 VAL 11 -8.485 -10.509 8.402
105 H LEU 12 HN LEU 12 -9.540 -10.308 4.741
106 HA LEU 12 HA LEU 12 -10.350 -12.911 3.625
107 HB2 LEU 12 HB2 LEU 12 -9.128 -10.498 2.294
108 HB3 LEU 12 HB1 LEU 12 -9.166 -12.078 1.538
109 HG LEU 12 HG LEU 12 -11.653 -10.622 2.427
110 HD11 LEU 12 HD11 LEU 12 -10.369 -10.695 -0.303
111 HD12 LEU 12 HD12 LEU 12 -10.501 -9.284 0.747
112 HD13 LEU 12 HD13 LEU 12 -11.955 -10.022 0.073
113 HD21 LEU 12 HD21 LEU 12 -11.905 -13.021 2.188
114 HD22 LEU 12 HD22 LEU 12 -11.183 -12.959 0.581
115 HD23 LEU 12 HD23 LEU 12 -12.742 -12.191 0.878
116 H VAL 13 HN VAL 13 -8.971 -14.452 4.259
117 HA VAL 13 HA VAL 13 -6.193 -13.725 4.805
118 HB VAL 13 HB VAL 13 -6.124 -16.201 5.620
119 HG11 VAL 13 HG11 VAL 13 -7.704 -14.110 7.119
120 HG12 VAL 13 HG12 VAL 13 -5.945 -14.233 7.068
121 HG13 VAL 13 HG13 VAL 13 -6.897 -15.508 7.827
122 HG21 VAL 13 HG21 VAL 13 -8.255 -17.064 6.416
123 HG22 VAL 13 HG22 VAL 13 -8.300 -16.840 4.667
124 HG23 VAL 13 HG23 VAL 13 -9.095 -15.675 5.726
125 H GLY 14 HN GLY 14 -4.938 -13.773 3.070
126 HA2 GLY 14 HA2 GLY 14 -4.664 -16.259 1.605
127 HA3 GLY 14 HA1 GLY 14 -5.227 -14.898 0.648
128 H LYS 15 HN LYS 15 -3.408 -14.782 -0.653
129 HA LYS 15 HA LYS 15 -0.798 -14.446 0.613
130 HB2 LYS 15 HB2 LYS 15 -1.701 -15.488 -1.874
131 HB3 LYS 15 HB1 LYS 15 -0.689 -14.094 -2.224
132 HG2 LYS 15 HG2 LYS 15 0.713 -15.997 -2.232
133 HG3 LYS 15 HG1 LYS 15 1.059 -15.102 -0.753
134 HD2 LYS 15 HD2 LYS 15 -0.046 -16.652 0.594
135 HD3 LYS 15 HD1 LYS 15 -0.923 -17.351 -0.768
136 HE2 LYS 15 HE2 LYS 15 0.707 -18.942 -0.281
137 HE3 LYS 15 HE1 LYS 15 1.397 -18.050 -1.637
138 HZ1 LYS 15 HZ1 LYS 15 2.053 -17.669 1.236
139 HZ2 LYS 15 HZ2 LYS 15 2.690 -16.743 -0.037
140 HZ3 LYS 15 HZ3 LYS 15 3.041 -18.395 0.071
141 H ALA 16 HN ALA 16 -3.306 -12.468 -0.053
142 HA ALA 16 HA ALA 16 -2.201 -10.282 -1.402
143 HB1 ALA 16 HB1 ALA 16 -4.346 -10.286 0.715
144 HB2 ALA 16 HB2 ALA 16 -4.590 -10.515 -1.015
145 HB3 ALA 16 HB3 ALA 16 -4.009 -8.968 -0.406
146 H TRP 17 HN TRP 17 -1.851 -11.306 1.908
147 HA TRP 17 HA TRP 17 -0.780 -8.786 2.799
148 HB2 TRP 17 HB2 TRP 17 -2.039 -10.494 4.251
149 HB3 TRP 17 HB1 TRP 17 -0.538 -11.414 4.267
150 HD1 TRP 17 HD1 TRP 17 1.469 -10.460 5.736
151 HE1 TRP 17 HE1 TRP 17 1.574 -8.661 7.575
152 HE3 TRP 17 HE3 TRP 17 -3.067 -8.231 4.944
153 HZ2 TRP 17 HZ2 TRP 17 -0.060 -6.572 8.559
154 HZ3 TRP 17 HZ3 TRP 17 -3.722 -6.341 6.380
155 HH2 TRP 17 HH2 TRP 17 -2.248 -5.532 8.147
156 H GLU 18 HN GLU 18 0.450 -11.774 1.520
157 HA GLU 18 HA GLU 18 3.167 -11.252 2.328
158 HB2 GLU 18 HB2 GLU 18 2.334 -13.550 2.142
159 HB3 GLU 18 HB1 GLU 18 2.049 -13.313 0.422
160 HG2 GLU 18 HG2 GLU 18 4.450 -12.932 0.100
161 HG3 GLU 18 HG1 GLU 18 4.716 -13.255 1.814
162 H ILE 19 HN ILE 19 1.285 -11.074 -0.661
163 HA ILE 19 HA ILE 19 3.456 -10.475 -2.354
164 HB ILE 19 HB ILE 19 1.239 -11.255 -3.158
165 HG12 ILE 19 HG12 ILE 19 1.957 -8.626 -4.441
166 HG13 ILE 19 HG11 ILE 19 2.983 -10.050 -4.580
167 HG21 ILE 19 HG21 ILE 19 0.360 -8.419 -2.622
168 HG22 ILE 19 HG22 ILE 19 -0.192 -9.857 -1.764
169 HG23 ILE 19 HG23 ILE 19 -0.574 -9.653 -3.472
170 HD11 ILE 19 HD11 ILE 19 1.262 -11.250 -5.725
171 HD12 ILE 19 HD12 ILE 19 1.477 -9.685 -6.511
172 HD13 ILE 19 HD13 ILE 19 0.102 -9.953 -5.439
173 H ARG 20 HN ARG 20 1.501 -8.461 -0.259
174 HA ARG 20 HA ARG 20 2.351 -5.991 -1.424
175 HB2 ARG 20 HB2 ARG 20 1.173 -4.902 0.329
176 HB3 ARG 20 HB1 ARG 20 0.230 -6.332 -0.070
177 HG2 ARG 20 HG2 ARG 20 1.331 -7.489 1.851
178 HG3 ARG 20 HG1 ARG 20 2.045 -5.937 2.296
179 HD2 ARG 20 HD2 ARG 20 -0.906 -6.495 2.047
180 HD3 ARG 20 HD1 ARG 20 -0.004 -6.451 3.561
181 HE ARG 20 HE ARG 20 -0.596 -4.150 1.826
182 HH11 ARG 20 HH11 ARG 20 0.567 -5.428 4.877
183 HH12 ARG 20 HH12 ARG 20 0.537 -3.891 5.678
184 HH21 ARG 20 HH21 ARG 20 -0.638 -2.130 2.882
185 HH22 ARG 20 HH22 ARG 20 -0.119 -2.010 4.532
186 H ALA 21 HN ALA 21 3.600 -8.127 0.993
187 HA ALA 21 HA ALA 21 5.429 -6.208 2.119
188 HB1 ALA 21 HB1 ALA 21 4.541 -8.107 3.434
189 HB2 ALA 21 HB2 ALA 21 6.303 -8.054 3.408
190 HB3 ALA 21 HB3 ALA 21 5.439 -9.214 2.397
191 H LYS 22 HN LYS 22 5.624 -8.968 -0.079
192 HA LYS 22 HA LYS 22 8.401 -8.861 -0.511
193 HB2 LYS 22 HB2 LYS 22 6.743 -10.736 -1.089
194 HB3 LYS 22 HB1 LYS 22 6.406 -9.819 -2.550
195 HG2 LYS 22 HG2 LYS 22 8.001 -11.450 -3.140
196 HG3 LYS 22 HG1 LYS 22 8.867 -9.913 -3.051
197 HD2 LYS 22 HD2 LYS 22 9.431 -10.576 -0.650
198 HD3 LYS 22 HD1 LYS 22 8.889 -12.194 -1.093
199 HE2 LYS 22 HE2 LYS 22 11.085 -10.630 -2.445
200 HE3 LYS 22 HE1 LYS 22 11.316 -11.960 -1.314
201 HZ1 LYS 22 HZ1 LYS 22 10.207 -13.434 -2.869
202 HZ2 LYS 22 HZ2 LYS 22 11.534 -12.690 -3.599
203 HZ3 LYS 22 HZ3 LYS 22 9.971 -12.159 -3.956
204 H LEU 23 HN LEU 23 5.685 -7.330 -2.200
205 HA LEU 23 HA LEU 23 7.324 -6.220 -4.261
206 HB2 LEU 23 HB2 LEU 23 4.486 -6.069 -3.481
207 HB3 LEU 23 HB1 LEU 23 5.109 -4.624 -4.249
208 HG LEU 23 HG LEU 23 5.835 -5.978 -6.183
209 HD11 LEU 23 HD11 LEU 23 6.169 -8.108 -5.099
210 HD12 LEU 23 HD12 LEU 23 4.996 -8.279 -6.405
211 HD13 LEU 23 HD13 LEU 23 4.447 -8.223 -4.730
212 HD21 LEU 23 HD21 LEU 23 3.717 -4.865 -6.303
213 HD22 LEU 23 HD22 LEU 23 2.932 -6.168 -5.412
214 HD23 LEU 23 HD23 LEU 23 3.554 -6.461 -7.037
215 H LYS 24 HN LYS 24 6.680 -5.325 -1.015
216 HA LYS 24 HA LYS 24 7.296 -2.526 -1.407
217 HB2 LYS 24 HB2 LYS 24 5.736 -3.280 0.364
218 HB3 LYS 24 HB1 LYS 24 7.068 -4.098 1.166
219 HG2 LYS 24 HG2 LYS 24 8.193 -1.997 1.542
220 HG3 LYS 24 HG1 LYS 24 6.943 -1.140 0.644
221 HD2 LYS 24 HD2 LYS 24 6.287 -0.784 2.822
222 HD3 LYS 24 HD1 LYS 24 5.335 -2.203 2.392
223 HE2 LYS 24 HE2 LYS 24 6.806 -3.650 3.563
224 HE3 LYS 24 HE1 LYS 24 8.014 -2.379 3.752
225 HZ1 LYS 24 HZ1 LYS 24 6.678 -2.855 5.777
226 HZ2 LYS 24 HZ2 LYS 24 5.314 -2.257 4.973
227 HZ3 LYS 24 HZ3 LYS 24 6.629 -1.240 5.277
228 H GLU 25 HN GLU 25 8.903 -5.411 -0.170
229 HA GLU 25 HA GLU 25 11.264 -4.075 0.676
230 HB2 GLU 25 HB2 GLU 25 10.692 -6.974 0.070
231 HB3 GLU 25 HB1 GLU 25 12.242 -6.402 0.675
232 HG2 GLU 25 HG2 GLU 25 11.111 -5.509 2.661
233 HG3 GLU 25 HG1 GLU 25 9.583 -6.153 2.058
234 H TYR 26 HN TYR 26 10.277 -5.596 -2.343
235 HA TYR 26 HA TYR 26 12.917 -5.253 -3.490
236 HB2 TYR 26 HB2 TYR 26 11.151 -7.132 -4.003
237 HB3 TYR 26 HB1 TYR 26 10.509 -5.944 -5.135
238 HD1 TYR 26 HD2 TYR 26 13.586 -7.811 -4.227
239 HD2 TYR 26 HD1 TYR 26 11.529 -5.625 -7.239
240 HE1 TYR 26 HE2 TYR 26 15.305 -8.460 -5.860
241 HE2 TYR 26 HE1 TYR 26 13.244 -6.266 -8.883
242 HH TYR 26 HH TYR 26 15.700 -6.969 -8.806
243 H GLY 27 HN GLY 27 9.773 -3.706 -3.609
244 HA2 GLY 27 HA2 GLY 27 10.557 -1.886 -5.721
245 HA3 GLY 27 HA1 GLY 27 9.023 -1.899 -4.863
246 H ARG 28 HN ARG 28 12.356 -1.618 -3.721
247 HA ARG 28 HA ARG 28 11.589 0.866 -2.347
248 HB2 ARG 28 HB2 ARG 28 12.316 -0.901 -0.831
249 HB3 ARG 28 HB1 ARG 28 13.812 -1.097 -1.733
250 HG2 ARG 28 HG2 ARG 28 14.700 0.905 -0.941
251 HG3 ARG 28 HG1 ARG 28 13.115 1.535 -0.486
252 HD2 ARG 28 HD2 ARG 28 14.162 -0.926 0.846
253 HD3 ARG 28 HD1 ARG 28 14.760 0.655 1.348
254 HE ARG 28 HE ARG 28 12.235 1.156 1.596
255 HH11 ARG 28 HH11 ARG 28 13.796 -1.905 2.341
256 HH12 ARG 28 HH12 ARG 28 12.603 -2.357 3.519
257 HH21 ARG 28 HH21 ARG 28 10.693 0.562 3.166
258 HH22 ARG 28 HH22 ARG 28 10.848 -0.958 3.989
259 H THR 29 HN THR 29 12.073 2.501 -3.650
260 HA THR 29 HA THR 29 14.154 2.533 -5.551
261 HB THR 29 HB THR 29 13.235 5.153 -4.575
262 HG1 THR 29 HG1 THR 29 11.070 4.665 -5.508
263 HG21 THR 29 HG21 THR 29 14.342 4.820 -6.741
264 HG22 THR 29 HG22 THR 29 12.709 5.450 -6.951
265 HG23 THR 29 HG23 THR 29 13.041 3.742 -7.242
266 H PHE 30 HN PHE 30 16.253 2.525 -5.055
267 HA PHE 30 HA PHE 30 17.176 3.750 -2.576
268 HB2 PHE 30 HB2 PHE 30 17.804 1.374 -3.549
269 HB3 PHE 30 HB1 PHE 30 19.002 2.301 -4.444
270 HD1 PHE 30 HD2 PHE 30 17.724 2.596 -0.949
271 HD2 PHE 30 HD1 PHE 30 21.060 1.908 -3.504
272 HE1 PHE 30 HE2 PHE 30 19.208 2.541 1.011
273 HE2 PHE 30 HE1 PHE 30 22.548 1.856 -1.547
274 HZ PHE 30 HZ PHE 30 21.627 2.171 0.710
275 H GLN 31 HN GLN 31 16.683 5.890 -3.539
276 HA GLN 31 HA GLN 31 18.685 6.798 -5.477
277 HB2 GLN 31 HB2 GLN 31 16.255 8.240 -4.409
278 HB3 GLN 31 HB1 GLN 31 17.302 8.797 -5.709
279 HG2 GLN 31 HG2 GLN 31 16.622 6.971 -7.109
280 HG3 GLN 31 HG1 GLN 31 15.685 6.260 -5.797
281 HE21 GLN 31 HE21 GLN 31 14.800 7.065 -8.428
282 HE22 GLN 31 HE22 GLN 31 13.562 8.248 -8.187
283 H TYR 32 HN TYR 32 18.320 6.589 -2.211
284 HA TYR 32 HA TYR 32 19.066 9.057 -1.179
285 HB2 TYR 32 HB2 TYR 32 18.351 6.905 0.050
286 HB3 TYR 32 HB1 TYR 32 20.057 6.468 -0.008
287 HD1 TYR 32 HD1 TYR 32 18.234 9.653 0.692
288 HD2 TYR 32 HD2 TYR 32 21.044 6.772 2.065
289 HE1 TYR 32 HE1 TYR 32 18.624 11.006 2.703
290 HE2 TYR 32 HE2 TYR 32 21.438 8.115 4.091
291 HH TYR 32 HH TYR 32 21.209 10.408 4.864
292 H VAL 33 HN VAL 33 21.109 6.432 -2.388
293 HA VAL 33 HA VAL 33 23.579 7.609 -1.659
294 HB VAL 33 HB VAL 33 22.974 5.565 -3.806
295 HG11 VAL 33 HG11 VAL 33 25.342 4.996 -3.712
296 HG12 VAL 33 HG12 VAL 33 25.617 6.302 -2.562
297 HG13 VAL 33 HG13 VAL 33 25.114 6.674 -4.210
298 HG21 VAL 33 HG21 VAL 33 22.329 4.775 -1.622
299 HG22 VAL 33 HG22 VAL 33 23.879 5.274 -0.944
300 HG23 VAL 33 HG23 VAL 33 23.813 3.957 -2.115
301 H LYS 34 HN LYS 34 21.657 7.688 -4.621
302 HA LYS 34 HA LYS 34 23.534 9.050 -6.228
303 HB2 LYS 34 HB2 LYS 34 20.515 9.030 -6.444
304 HB3 LYS 34 HB1 LYS 34 21.633 9.507 -7.710
305 HG2 LYS 34 HG2 LYS 34 22.491 7.266 -7.874
306 HG3 LYS 34 HG1 LYS 34 21.510 6.757 -6.499
307 HD2 LYS 34 HD2 LYS 34 19.473 7.272 -7.772
308 HD3 LYS 34 HD1 LYS 34 20.467 7.745 -9.153
309 HE2 LYS 34 HE2 LYS 34 20.459 5.015 -7.880
310 HE3 LYS 34 HE1 LYS 34 19.553 5.446 -9.327
311 HZ1 LYS 34 HZ1 LYS 34 22.506 5.598 -9.071
312 HZ2 LYS 34 HZ2 LYS 34 21.604 5.900 -10.471
313 HZ3 LYS 34 HZ3 LYS 34 21.662 4.341 -9.824
314 H ASP 35 HN ASP 35 20.963 10.154 -4.083
315 HA ASP 35 HA ASP 35 21.286 12.925 -4.805
316 HB2 ASP 35 HB2 ASP 35 19.135 11.818 -4.012
317 HB3 ASP 35 HB1 ASP 35 19.830 11.821 -2.399
318 H TRP 36 HN TRP 36 23.018 10.815 -2.878
319 HA TRP 36 HA TRP 36 23.779 12.771 -0.871
320 HB2 TRP 36 HB2 TRP 36 23.573 10.035 -0.801
321 HB3 TRP 36 HB1 TRP 36 25.311 10.265 -0.977
322 HD1 TRP 36 HD1 TRP 36 22.495 10.585 1.507
323 HE1 TRP 36 HE1 TRP 36 23.444 11.295 3.795
324 HE3 TRP 36 HE3 TRP 36 27.272 11.715 0.088
325 HZ2 TRP 36 HZ2 TRP 36 25.889 12.205 4.851
326 HZ3 TRP 36 HZ3 TRP 36 28.852 12.502 1.799
327 HH2 TRP 36 HH2 TRP 36 28.173 12.742 4.130
328 H ILE 37 HN ILE 37 25.148 11.192 -3.717
329 HA ILE 37 HA ILE 37 27.752 12.351 -3.275
330 HB ILE 37 HB ILE 37 27.789 10.254 -4.369
331 HG12 ILE 37 HG12 ILE 37 28.304 12.374 -6.473
332 HG13 ILE 37 HG11 ILE 37 29.418 11.925 -5.188
333 HG21 ILE 37 HG21 ILE 37 25.840 11.416 -6.348
334 HG22 ILE 37 HG22 ILE 37 25.581 10.078 -5.226
335 HG23 ILE 37 HG23 ILE 37 26.688 9.888 -6.585
336 HD11 ILE 37 HD11 ILE 37 28.470 10.142 -7.414
337 HD12 ILE 37 HD12 ILE 37 29.564 9.668 -6.115
338 HD13 ILE 37 HD13 ILE 37 30.058 10.898 -7.279
339 H SER 38 HN SER 38 27.911 14.482 -3.415
340 HA SER 38 HA SER 38 26.488 15.922 -5.532
341 HB2 SER 38 HB2 SER 38 28.162 17.258 -3.430
342 HB3 SER 38 HB1 SER 38 26.701 17.838 -4.228
343 HG SER 38 HG SER 38 25.639 16.020 -3.056
344 H LYS 39 HN LYS 39 27.639 15.749 -7.402
345 HA LYS 39 HA LYS 39 30.406 16.721 -7.317
346 HB2 LYS 39 HB2 LYS 39 30.275 14.221 -7.582
347 HB3 LYS 39 HB1 LYS 39 29.452 14.488 -9.112
348 HG2 LYS 39 HG2 LYS 39 31.858 14.010 -9.361
349 HG3 LYS 39 HG1 LYS 39 31.396 15.580 -10.021
350 HD2 LYS 39 HD2 LYS 39 32.334 16.734 -8.185
351 HD3 LYS 39 HD1 LYS 39 32.495 15.253 -7.243
352 HE2 LYS 39 HE2 LYS 39 33.927 15.562 -9.851
353 HE3 LYS 39 HE1 LYS 39 34.589 16.269 -8.378
354 HZ1 LYS 39 HZ1 LYS 39 35.487 14.067 -8.787
355 HZ2 LYS 39 HZ2 LYS 39 33.936 13.396 -8.775
356 HZ3 LYS 39 HZ3 LYS 39 34.573 14.074 -7.364
357 HA PRO 40 HA PRO 40 28.253 19.549 -10.136
358 HB2 PRO 40 HB2 PRO 40 30.912 20.842 -10.002
359 HB3 PRO 40 HB1 PRO 40 29.312 21.542 -9.745
360 HG2 PRO 40 HG2 PRO 40 30.958 21.084 -7.695
361 HG3 PRO 40 HG1 PRO 40 29.209 20.826 -7.544
362 HD2 PRO 40 HD2 PRO 40 31.398 18.820 -7.901
363 HD3 PRO 40 HD1 PRO 40 29.931 18.723 -6.904
Start of MODEL 2
1 H1 MET 1 HT1 MET 1 4.929 -35.158 -11.661
2 H2 MET 1 HT2 MET 1 3.857 -34.634 -12.855
3 H3 MET 1 HT3 MET 1 3.729 -34.033 -11.283
4 HA MET 1 HA MET 1 5.786 -32.885 -11.456
5 HB2 MET 1 HB2 MET 1 5.940 -34.320 -14.100
6 HB3 MET 1 HB1 MET 1 6.905 -32.887 -13.766
7 HG2 MET 1 HG2 MET 1 7.980 -34.015 -11.907
8 HG3 MET 1 HG1 MET 1 6.971 -35.437 -12.158
9 HE1 MET 1 HE1 MET 1 8.337 -37.051 -15.344
10 HE2 MET 1 HE2 MET 1 6.897 -36.048 -15.178
11 HE3 MET 1 HE3 MET 1 7.312 -37.210 -13.918
12 H LYS 2 HN LYS 2 3.026 -32.340 -11.746
13 HA LYS 2 HA LYS 2 2.743 -30.623 -14.061
14 HB2 LYS 2 HB2 LYS 2 0.977 -31.837 -12.087
15 HB3 LYS 2 HB1 LYS 2 0.572 -30.156 -12.406
16 HG2 LYS 2 HG2 LYS 2 0.157 -30.567 -14.668
17 HG3 LYS 2 HG1 LYS 2 0.985 -32.125 -14.629
18 HD2 LYS 2 HD2 LYS 2 -0.785 -32.992 -13.142
19 HD3 LYS 2 HD1 LYS 2 -1.619 -31.440 -13.264
20 HE2 LYS 2 HE2 LYS 2 -1.960 -31.743 -15.615
21 HE3 LYS 2 HE1 LYS 2 -0.943 -33.181 -15.627
22 HZ1 LYS 2 HZ1 LYS 2 -3.236 -33.816 -15.655
23 HZ2 LYS 2 HZ2 LYS 2 -3.566 -32.896 -14.276
24 HZ3 LYS 2 HZ3 LYS 2 -2.573 -34.262 -14.167
25 H VAL 3 HN VAL 3 2.618 -30.212 -10.518
26 HA VAL 3 HA VAL 3 2.836 -27.339 -10.801
27 HB VAL 3 HB VAL 3 2.898 -27.361 -8.278
28 HG11 VAL 3 HG11 VAL 3 0.512 -27.909 -8.057
29 HG12 VAL 3 HG12 VAL 3 0.557 -28.684 -9.642
30 HG13 VAL 3 HG13 VAL 3 0.845 -26.950 -9.501
31 HG21 VAL 3 HG21 VAL 3 3.773 -29.660 -8.028
32 HG22 VAL 3 HG22 VAL 3 2.238 -30.285 -8.630
33 HG23 VAL 3 HG23 VAL 3 2.293 -29.392 -7.110
34 H HIS 4 HN HIS 4 4.591 -26.097 -10.314
35 HA HIS 4 HA HIS 4 6.956 -27.144 -9.109
36 HB2 HIS 4 HB2 HIS 4 8.450 -26.956 -11.059
37 HB3 HIS 4 HB1 HIS 4 7.224 -28.191 -11.317
38 HD1 HIS 4 HD1 HIS 4 8.625 -25.143 -12.774
39 HD2 HIS 4 HD2 HIS 4 5.129 -27.358 -13.147
40 HE1 HIS 4 HE1 HIS 4 7.555 -24.361 -14.911
41 HE2 HIS 4 HE2 HIS 4 5.565 -25.878 -15.219
42 H ARG 5 HN ARG 5 8.521 -25.527 -8.722
43 HA ARG 5 HA ARG 5 9.300 -23.430 -8.323
44 HB2 ARG 5 HB2 ARG 5 8.433 -23.335 -10.969
45 HB3 ARG 5 HB1 ARG 5 7.684 -21.933 -10.220
46 HG2 ARG 5 HG2 ARG 5 9.896 -21.212 -9.427
47 HG3 ARG 5 HG1 ARG 5 10.621 -22.585 -10.265
48 HD2 ARG 5 HD2 ARG 5 9.689 -21.739 -12.386
49 HD3 ARG 5 HD1 ARG 5 9.055 -20.336 -11.527
50 HE ARG 5 HE ARG 5 11.837 -20.588 -11.082
51 HH11 ARG 5 HH11 ARG 5 9.526 -19.701 -13.554
52 HH12 ARG 5 HH12 ARG 5 10.617 -18.616 -14.363
53 HH21 ARG 5 HH21 ARG 5 13.277 -19.184 -12.132
54 HH22 ARG 5 HH22 ARG 5 12.765 -18.313 -13.543
55 H MET 6 HN MET 6 8.014 -23.748 -6.358
56 HA MET 6 HA MET 6 6.672 -22.969 -4.702
57 HB2 MET 6 HB2 MET 6 6.497 -20.594 -6.557
58 HB3 MET 6 HB1 MET 6 5.742 -20.624 -4.969
59 HG2 MET 6 HG2 MET 6 7.855 -20.795 -3.888
60 HG3 MET 6 HG1 MET 6 8.683 -21.056 -5.423
61 HE1 MET 6 HE1 MET 6 9.233 -18.792 -3.008
62 HE2 MET 6 HE2 MET 6 9.809 -17.484 -4.042
63 HE3 MET 6 HE3 MET 6 10.332 -19.143 -4.341
64 HA PRO 7 HA PRO 7 2.937 -24.550 -6.907
65 HB2 PRO 7 HB2 PRO 7 2.699 -26.177 -4.470
66 HB3 PRO 7 HB1 PRO 7 2.756 -26.696 -6.158
67 HG2 PRO 7 HG2 PRO 7 4.801 -27.135 -4.471
68 HG3 PRO 7 HG1 PRO 7 5.062 -26.778 -6.188
69 HD2 PRO 7 HD2 PRO 7 5.300 -24.952 -3.821
70 HD3 PRO 7 HD1 PRO 7 6.371 -25.110 -5.230
71 H LYS 8 HN LYS 8 0.723 -25.144 -5.579
72 HA LYS 8 HA LYS 8 0.264 -22.974 -3.659
73 HB2 LYS 8 HB2 LYS 8 -2.057 -22.773 -4.845
74 HB3 LYS 8 HB1 LYS 8 -0.656 -21.945 -5.513
75 HG2 LYS 8 HG2 LYS 8 -0.372 -23.995 -7.005
76 HG3 LYS 8 HG1 LYS 8 -2.002 -24.442 -6.491
77 HD2 LYS 8 HD2 LYS 8 -1.358 -21.743 -7.664
78 HD3 LYS 8 HD1 LYS 8 -1.800 -23.127 -8.668
79 HE2 LYS 8 HE2 LYS 8 -3.491 -22.105 -6.391
80 HE3 LYS 8 HE1 LYS 8 -3.686 -21.568 -8.057
81 HZ1 LYS 8 HZ1 LYS 8 -5.241 -23.301 -7.640
82 HZ2 LYS 8 HZ2 LYS 8 -4.048 -24.319 -7.010
83 HZ3 LYS 8 HZ3 LYS 8 -4.046 -23.935 -8.655
84 H GLY 9 HN GLY 9 0.235 -24.429 -1.974
85 HA2 GLY 9 HA2 GLY 9 -2.027 -26.332 -1.985
86 HA3 GLY 9 HA1 GLY 9 -0.531 -26.598 -1.101
87 H VAL 10 HN VAL 10 -3.670 -25.455 -0.915
88 HA VAL 10 HA VAL 10 -4.898 -24.312 0.624
89 HB VAL 10 HB VAL 10 -2.826 -25.109 2.669
90 HG11 VAL 10 HG11 VAL 10 -4.807 -25.349 4.118
91 HG12 VAL 10 HG12 VAL 10 -5.826 -24.810 2.784
92 HG13 VAL 10 HG13 VAL 10 -4.637 -23.711 3.482
93 HG21 VAL 10 HG21 VAL 10 -3.208 -27.073 1.297
94 HG22 VAL 10 HG22 VAL 10 -4.953 -26.858 1.436
95 HG23 VAL 10 HG23 VAL 10 -4.002 -27.272 2.860
96 H VAL 11 HN VAL 11 -3.684 -22.509 -0.739
97 HA VAL 11 HA VAL 11 -2.387 -20.688 1.182
98 HB VAL 11 HB VAL 11 -1.384 -19.554 -0.794
99 HG11 VAL 11 HG11 VAL 11 -0.733 -22.467 -0.379
100 HG12 VAL 11 HG12 VAL 11 -0.027 -21.083 0.455
101 HG13 VAL 11 HG13 VAL 11 0.297 -21.338 -1.261
102 HG21 VAL 11 HG21 VAL 11 -2.990 -20.284 -2.481
103 HG22 VAL 11 HG22 VAL 11 -2.433 -21.947 -2.300
104 HG23 VAL 11 HG23 VAL 11 -1.344 -20.718 -2.947
105 H LEU 12 HN LEU 12 -5.295 -21.194 0.221
106 HA LEU 12 HA LEU 12 -5.981 -18.595 -0.866
107 HB2 LEU 12 HB2 LEU 12 -7.597 -21.049 -0.210
108 HB3 LEU 12 HB1 LEU 12 -8.349 -19.537 -0.677
109 HG LEU 12 HG LEU 12 -6.837 -19.706 -2.785
110 HD11 LEU 12 HD11 LEU 12 -6.900 -22.595 -1.927
111 HD12 LEU 12 HD12 LEU 12 -5.465 -21.571 -1.977
112 HD13 LEU 12 HD13 LEU 12 -6.312 -21.976 -3.470
113 HD21 LEU 12 HD21 LEU 12 -9.249 -19.848 -2.838
114 HD22 LEU 12 HD22 LEU 12 -9.184 -21.539 -2.343
115 HD23 LEU 12 HD23 LEU 12 -8.545 -21.055 -3.914
116 H VAL 13 HN VAL 13 -4.826 -18.057 1.411
117 HA VAL 13 HA VAL 13 -7.008 -17.588 3.339
118 HB VAL 13 HB VAL 13 -4.063 -17.703 4.004
119 HG11 VAL 13 HG11 VAL 13 -5.451 -16.366 5.528
120 HG12 VAL 13 HG12 VAL 13 -4.822 -17.814 6.312
121 HG13 VAL 13 HG13 VAL 13 -6.503 -17.760 5.781
122 HG21 VAL 13 HG21 VAL 13 -4.863 -19.898 3.224
123 HG22 VAL 13 HG22 VAL 13 -6.144 -19.846 4.435
124 HG23 VAL 13 HG23 VAL 13 -4.455 -19.911 4.938
125 H GLY 14 HN GLY 14 -3.754 -16.248 2.790
126 HA2 GLY 14 HA2 GLY 14 -4.855 -13.638 2.158
127 HA3 GLY 14 HA1 GLY 14 -4.015 -13.737 3.699
128 H LYS 15 HN LYS 15 -3.551 -14.730 0.324
129 HA LYS 15 HA LYS 15 -0.715 -14.683 0.491
130 HB2 LYS 15 HB2 LYS 15 -2.643 -15.531 -1.394
131 HB3 LYS 15 HB1 LYS 15 -1.633 -14.351 -2.216
132 HG2 LYS 15 HG2 LYS 15 0.353 -15.621 -1.650
133 HG3 LYS 15 HG1 LYS 15 -0.627 -16.783 -0.755
134 HD2 LYS 15 HD2 LYS 15 -1.823 -17.342 -2.823
135 HD3 LYS 15 HD1 LYS 15 -0.807 -16.205 -3.709
136 HE2 LYS 15 HE2 LYS 15 0.233 -18.583 -2.176
137 HE3 LYS 15 HE1 LYS 15 -0.094 -18.585 -3.905
138 HZ1 LYS 15 HZ1 LYS 15 1.935 -16.989 -2.456
139 HZ2 LYS 15 HZ2 LYS 15 1.508 -16.688 -4.061
140 HZ3 LYS 15 HZ3 LYS 15 2.197 -18.174 -3.639
141 H ALA 16 HN ALA 16 -3.143 -12.332 -0.290
142 HA ALA 16 HA ALA 16 -1.627 -10.445 -1.682
143 HB1 ALA 16 HB1 ALA 16 -3.927 -9.974 0.212
144 HB2 ALA 16 HB2 ALA 16 -4.054 -10.317 -1.513
145 HB3 ALA 16 HB3 ALA 16 -3.310 -8.816 -0.965
146 H TRP 17 HN TRP 17 -1.811 -11.160 1.734
147 HA TRP 17 HA TRP 17 -0.622 -8.802 2.725
148 HB2 TRP 17 HB2 TRP 17 -1.849 -10.551 4.078
149 HB3 TRP 17 HB1 TRP 17 -0.422 -11.571 3.933
150 HD1 TRP 17 HD1 TRP 17 1.195 -11.389 5.900
151 HE1 TRP 17 HE1 TRP 17 1.708 -9.642 7.723
152 HE3 TRP 17 HE3 TRP 17 -1.975 -7.680 4.379
153 HZ2 TRP 17 HZ2 TRP 17 0.870 -7.038 8.421
154 HZ3 TRP 17 HZ3 TRP 17 -2.063 -5.596 5.681
155 HH2 TRP 17 HH2 TRP 17 -0.673 -5.282 7.656
156 H GLU 18 HN GLU 18 0.698 -11.897 1.654
157 HA GLU 18 HA GLU 18 3.404 -11.273 2.286
158 HB2 GLU 18 HB2 GLU 18 2.448 -13.286 0.252
159 HB3 GLU 18 HB1 GLU 18 3.972 -13.294 1.127
160 HG2 GLU 18 HG2 GLU 18 2.620 -13.577 3.238
161 HG3 GLU 18 HG1 GLU 18 1.219 -13.845 2.199
162 H ILE 19 HN ILE 19 1.393 -11.053 -0.590
163 HA ILE 19 HA ILE 19 3.373 -10.352 -2.449
164 HB ILE 19 HB ILE 19 0.440 -9.622 -2.393
165 HG12 ILE 19 HG12 ILE 19 1.924 -11.769 -3.924
166 HG13 ILE 19 HG11 ILE 19 0.973 -12.049 -2.469
167 HG21 ILE 19 HG21 ILE 19 2.455 -9.351 -4.615
168 HG22 ILE 19 HG22 ILE 19 1.560 -8.054 -3.825
169 HG23 ILE 19 HG23 ILE 19 0.711 -9.227 -4.833
170 HD11 ILE 19 HD11 ILE 19 -0.270 -12.665 -4.453
171 HD12 ILE 19 HD12 ILE 19 -0.073 -11.039 -5.105
172 HD13 ILE 19 HD13 ILE 19 -1.033 -11.295 -3.648
173 H ARG 20 HN ARG 20 1.292 -8.295 -0.408
174 HA ARG 20 HA ARG 20 2.250 -5.827 -1.355
175 HB2 ARG 20 HB2 ARG 20 0.723 -6.738 1.012
176 HB3 ARG 20 HB1 ARG 20 1.567 -5.205 1.192
177 HG2 ARG 20 HG2 ARG 20 -0.287 -5.799 -1.101
178 HG3 ARG 20 HG1 ARG 20 -0.819 -5.065 0.416
179 HD2 ARG 20 HD2 ARG 20 0.847 -3.259 0.064
180 HD3 ARG 20 HD1 ARG 20 1.226 -3.963 -1.506
181 HE ARG 20 HE ARG 20 -1.209 -3.563 -2.024
182 HH11 ARG 20 HH11 ARG 20 0.542 -1.579 0.278
183 HH12 ARG 20 HH12 ARG 20 -0.468 -0.189 0.033
184 HH21 ARG 20 HH21 ARG 20 -2.539 -1.730 -2.337
185 HH22 ARG 20 HH22 ARG 20 -2.204 -0.271 -1.465
186 H ALA 21 HN ALA 21 3.395 -7.920 1.243
187 HA ALA 21 HA ALA 21 5.333 -6.109 2.255
188 HB1 ALA 21 HB1 ALA 21 4.406 -8.043 3.517
189 HB2 ALA 21 HB2 ALA 21 6.167 -7.969 3.527
190 HB3 ALA 21 HB3 ALA 21 5.340 -9.116 2.474
191 H LYS 22 HN LYS 22 5.498 -8.823 -0.021
192 HA LYS 22 HA LYS 22 8.280 -8.691 -0.453
193 HB2 LYS 22 HB2 LYS 22 6.860 -10.645 -1.002
194 HB3 LYS 22 HB1 LYS 22 6.147 -9.731 -2.323
195 HG2 LYS 22 HG2 LYS 22 7.907 -10.067 -3.674
196 HG3 LYS 22 HG1 LYS 22 9.077 -9.851 -2.371
197 HD2 LYS 22 HD2 LYS 22 9.204 -12.121 -3.175
198 HD3 LYS 22 HD1 LYS 22 8.526 -12.119 -1.549
199 HE2 LYS 22 HE2 LYS 22 6.287 -12.361 -2.466
200 HE3 LYS 22 HE1 LYS 22 6.934 -12.300 -4.103
201 HZ1 LYS 22 HZ1 LYS 22 7.575 -14.383 -2.094
202 HZ2 LYS 22 HZ2 LYS 22 8.134 -14.336 -3.689
203 HZ3 LYS 22 HZ3 LYS 22 6.488 -14.571 -3.373
204 H LEU 23 HN LEU 23 5.548 -7.175 -2.106
205 HA LEU 23 HA LEU 23 7.055 -6.050 -4.222
206 HB2 LEU 23 HB2 LEU 23 4.330 -5.711 -3.139
207 HB3 LEU 23 HB1 LEU 23 4.982 -4.317 -3.977
208 HG LEU 23 HG LEU 23 5.245 -5.562 -6.012
209 HD11 LEU 23 HD11 LEU 23 5.993 -7.680 -5.229
210 HD12 LEU 23 HD12 LEU 23 4.501 -7.944 -6.130
211 HD13 LEU 23 HD13 LEU 23 4.476 -7.961 -4.369
212 HD21 LEU 23 HD21 LEU 23 3.016 -4.671 -5.546
213 HD22 LEU 23 HD22 LEU 23 2.572 -6.193 -4.769
214 HD23 LEU 23 HD23 LEU 23 2.937 -6.154 -6.494
215 H LYS 24 HN LYS 24 6.484 -5.083 -0.950
216 HA LYS 24 HA LYS 24 7.382 -2.379 -1.286
217 HB2 LYS 24 HB2 LYS 24 5.844 -3.223 0.546
218 HB3 LYS 24 HB1 LYS 24 7.259 -3.966 1.281
219 HG2 LYS 24 HG2 LYS 24 8.291 -1.811 1.590
220 HG3 LYS 24 HG1 LYS 24 6.976 -1.023 0.715
221 HD2 LYS 24 HD2 LYS 24 6.669 -0.743 3.105
222 HD3 LYS 24 HD1 LYS 24 5.397 -1.778 2.449
223 HE2 LYS 24 HE2 LYS 24 6.528 -3.749 3.259
224 HE3 LYS 24 HE1 LYS 24 7.900 -2.779 3.796
225 HZ1 LYS 24 HZ1 LYS 24 6.450 -3.352 5.627
226 HZ2 LYS 24 HZ2 LYS 24 5.141 -2.606 4.859
227 HZ3 LYS 24 HZ3 LYS 24 6.455 -1.681 5.382
228 H GLU 25 HN GLU 25 8.797 -5.385 -0.031
229 HA GLU 25 HA GLU 25 11.316 -4.261 0.595
230 HB2 GLU 25 HB2 GLU 25 10.642 -6.339 1.617
231 HB3 GLU 25 HB1 GLU 25 10.484 -7.109 0.044
232 HG2 GLU 25 HG2 GLU 25 12.873 -6.959 -0.308
233 HG3 GLU 25 HG1 GLU 25 13.060 -6.095 1.214
234 H TYR 26 HN TYR 26 10.095 -5.963 -2.272
235 HA TYR 26 HA TYR 26 12.662 -5.740 -3.597
236 HB2 TYR 26 HB2 TYR 26 10.884 -7.633 -3.844
237 HB3 TYR 26 HB1 TYR 26 10.118 -6.532 -4.982
238 HD1 TYR 26 HD2 TYR 26 13.626 -7.659 -4.302
239 HD2 TYR 26 HD1 TYR 26 10.550 -7.050 -7.175
240 HE1 TYR 26 HE2 TYR 26 15.134 -8.444 -6.074
241 HE2 TYR 26 HE1 TYR 26 12.052 -7.833 -8.957
242 HH TYR 26 HH TYR 26 14.453 -8.029 -9.380
243 H GLY 27 HN GLY 27 10.245 -3.599 -3.006
244 HA2 GLY 27 HA2 GLY 27 10.549 -2.235 -5.596
245 HA3 GLY 27 HA1 GLY 27 9.268 -1.930 -4.432
246 H ARG 28 HN ARG 28 10.692 -1.625 -2.105
247 HA ARG 28 HA ARG 28 11.867 0.990 -2.563
248 HB2 ARG 28 HB2 ARG 28 11.478 -0.388 0.094
249 HB3 ARG 28 HB1 ARG 28 11.679 1.332 -0.203
250 HG2 ARG 28 HG2 ARG 28 9.322 -0.247 -1.195
251 HG3 ARG 28 HG1 ARG 28 9.351 0.591 0.358
252 HD2 ARG 28 HD2 ARG 28 10.113 2.143 -2.050
253 HD3 ARG 28 HD1 ARG 28 8.414 1.713 -1.869
254 HE ARG 28 HE ARG 28 9.974 3.468 -0.120
255 HH11 ARG 28 HH11 ARG 28 6.923 1.933 -0.887
256 HH12 ARG 28 HH12 ARG 28 5.994 2.984 0.132
257 HH21 ARG 28 HH21 ARG 28 8.783 4.873 1.199
258 HH22 ARG 28 HH22 ARG 28 7.054 4.672 1.324
259 H THR 29 HN THR 29 13.642 -0.316 -3.728
260 HA THR 29 HA THR 29 15.547 -1.822 -2.353
261 HB THR 29 HB THR 29 17.103 -0.771 -4.223
262 HG1 THR 29 HG1 THR 29 15.880 0.048 -5.947
263 HG21 THR 29 HG21 THR 29 14.753 -2.584 -4.818
264 HG22 THR 29 HG22 THR 29 16.336 -3.081 -4.219
265 HG23 THR 29 HG23 THR 29 16.180 -2.398 -5.837
266 H PHE 30 HN PHE 30 16.239 1.440 -3.549
267 HA PHE 30 HA PHE 30 17.957 1.901 -1.232
268 HB2 PHE 30 HB2 PHE 30 18.787 3.838 -2.508
269 HB3 PHE 30 HB1 PHE 30 18.900 2.357 -3.449
270 HD1 PHE 30 HD1 PHE 30 17.481 1.999 -5.380
271 HD2 PHE 30 HD2 PHE 30 17.245 5.594 -3.119
272 HE1 PHE 30 HE1 PHE 30 16.208 3.061 -7.203
273 HE2 PHE 30 HE2 PHE 30 15.988 6.660 -4.933
274 HZ PHE 30 HZ PHE 30 15.461 5.393 -6.981
275 H GLN 31 HN GLN 31 14.825 2.421 -2.126
276 HA GLN 31 HA GLN 31 14.414 5.074 -1.191
277 HB2 GLN 31 HB2 GLN 31 12.915 3.966 -2.794
278 HB3 GLN 31 HB1 GLN 31 12.429 2.829 -1.546
279 HG2 GLN 31 HG2 GLN 31 10.746 4.519 -1.807
280 HG3 GLN 31 HG1 GLN 31 11.515 4.683 -0.229
281 HE21 GLN 31 HE21 GLN 31 10.973 6.802 0.033
282 HE22 GLN 31 HE22 GLN 31 11.669 8.078 -0.912
283 H TYR 32 HN TYR 32 14.589 1.984 0.379
284 HA TYR 32 HA TYR 32 13.089 2.561 2.680
285 HB2 TYR 32 HB2 TYR 32 15.005 0.490 1.892
286 HB3 TYR 32 HB1 TYR 32 15.058 0.873 3.609
287 HD1 TYR 32 HD1 TYR 32 12.363 1.405 4.375
288 HD2 TYR 32 HD2 TYR 32 13.801 -1.460 1.581
289 HE1 TYR 32 HE1 TYR 32 10.356 0.038 4.753
290 HE2 TYR 32 HE2 TYR 32 11.800 -2.836 1.953
291 HH TYR 32 HH TYR 32 10.092 -3.151 3.788
292 H VAL 33 HN VAL 33 16.536 3.055 2.001
293 HA VAL 33 HA VAL 33 17.076 4.111 4.606
294 HB VAL 33 HB VAL 33 19.276 4.690 3.781
295 HG11 VAL 33 HG11 VAL 33 18.318 2.015 2.777
296 HG12 VAL 33 HG12 VAL 33 18.947 2.385 4.383
297 HG13 VAL 33 HG13 VAL 33 20.011 2.467 2.977
298 HG21 VAL 33 HG21 VAL 33 18.273 3.931 1.038
299 HG22 VAL 33 HG22 VAL 33 19.928 4.373 1.453
300 HG23 VAL 33 HG23 VAL 33 18.636 5.566 1.585
301 H LYS 34 HN LYS 34 15.539 5.362 1.916
302 HA LYS 34 HA LYS 34 16.341 8.119 2.396
303 HB2 LYS 34 HB2 LYS 34 15.979 7.110 0.077
304 HB3 LYS 34 HB1 LYS 34 14.261 7.137 0.443
305 HG2 LYS 34 HG2 LYS 34 14.540 9.618 0.882
306 HG3 LYS 34 HG1 LYS 34 16.127 9.463 0.130
307 HD2 LYS 34 HD2 LYS 34 15.172 8.748 -1.930
308 HD3 LYS 34 HD1 LYS 34 13.575 8.581 -1.197
309 HE2 LYS 34 HE2 LYS 34 15.102 11.151 -1.577
310 HE3 LYS 34 HE1 LYS 34 13.719 10.617 -2.530
311 HZ1 LYS 34 HZ1 LYS 34 13.743 11.368 0.340
312 HZ2 LYS 34 HZ2 LYS 34 12.424 10.624 -0.409
313 HZ3 LYS 34 HZ3 LYS 34 12.936 12.151 -0.920
314 H ASP 35 HN ASP 35 13.648 5.950 2.918
315 HA ASP 35 HA ASP 35 11.935 8.096 3.887
316 HB2 ASP 35 HB2 ASP 35 11.541 5.137 3.471
317 HB3 ASP 35 HB1 ASP 35 10.376 6.094 4.377
318 H TRP 36 HN TRP 36 13.893 5.471 5.102
319 HA TRP 36 HA TRP 36 12.937 5.792 7.817
320 HB2 TRP 36 HB2 TRP 36 13.789 3.607 6.613
321 HB3 TRP 36 HB1 TRP 36 15.368 4.197 7.114
322 HD1 TRP 36 HD1 TRP 36 15.245 4.942 9.971
323 HE1 TRP 36 HE1 TRP 36 14.438 3.373 11.847
324 HE3 TRP 36 HE3 TRP 36 12.492 1.681 7.167
325 HZ2 TRP 36 HZ2 TRP 36 12.833 1.065 12.105
326 HZ3 TRP 36 HZ3 TRP 36 11.349 -0.181 8.301
327 HH2 TRP 36 HH2 TRP 36 11.519 -0.480 10.718
328 H ILE 37 HN ILE 37 13.503 7.875 8.367
329 HA ILE 37 HA ILE 37 16.368 8.259 8.873
330 HB ILE 37 HB ILE 37 15.665 10.816 8.552
331 HG12 ILE 37 HG12 ILE 37 14.002 9.385 6.470
332 HG13 ILE 37 HG11 ILE 37 13.335 10.183 7.889
333 HG21 ILE 37 HG21 ILE 37 16.488 8.937 6.345
334 HG22 ILE 37 HG22 ILE 37 17.555 9.761 7.482
335 HG23 ILE 37 HG23 ILE 37 16.647 10.692 6.290
336 HD11 ILE 37 HD11 ILE 37 14.252 12.318 7.088
337 HD12 ILE 37 HD12 ILE 37 13.120 11.595 5.945
338 HD13 ILE 37 HD13 ILE 37 14.855 11.497 5.649
339 H SER 38 HN SER 38 13.927 7.423 10.437
340 HA SER 38 HA SER 38 13.858 9.568 12.438
341 HB2 SER 38 HB2 SER 38 12.063 7.167 12.534
342 HB3 SER 38 HB1 SER 38 11.753 8.819 13.073
343 HG SER 38 HG SER 38 10.637 8.694 11.221
344 H LYS 39 HN LYS 39 15.444 9.311 13.870
345 HA LYS 39 HA LYS 39 15.965 6.613 14.925
346 HB2 LYS 39 HB2 LYS 39 17.827 7.959 13.724
347 HB3 LYS 39 HB1 LYS 39 17.847 8.952 15.172
348 HG2 LYS 39 HG2 LYS 39 18.468 7.068 16.525
349 HG3 LYS 39 HG1 LYS 39 18.296 5.976 15.148
350 HD2 LYS 39 HD2 LYS 39 20.083 7.253 13.980
351 HD3 LYS 39 HD1 LYS 39 20.301 8.215 15.440
352 HE2 LYS 39 HE2 LYS 39 21.966 6.453 15.313
353 HE3 LYS 39 HE1 LYS 39 20.889 6.194 16.684
354 HZ1 LYS 39 HZ1 LYS 39 19.915 4.392 15.689
355 HZ2 LYS 39 HZ2 LYS 39 21.500 4.240 15.121
356 HZ3 LYS 39 HZ3 LYS 39 20.301 4.885 14.118
357 HA PRO 40 HA PRO 40 14.074 8.156 18.645
358 HB2 PRO 40 HB2 PRO 40 15.016 6.201 20.330
359 HB3 PRO 40 HB1 PRO 40 13.604 6.026 19.286
360 HG2 PRO 40 HG2 PRO 40 16.403 5.064 18.863
361 HG3 PRO 40 HG1 PRO 40 14.868 4.261 18.486
362 HD2 PRO 40 HD2 PRO 40 16.359 5.470 16.595
363 HD3 PRO 40 HD1 PRO 40 14.585 5.431 16.527
Start of MODEL 3
1 H1 MET 1 HT1 MET 1 -14.286 16.140 -0.934
2 H2 MET 1 HT2 MET 1 -13.032 16.988 -0.180
3 H3 MET 1 HT3 MET 1 -14.618 17.165 0.368
4 HA MET 1 HA MET 1 -13.205 15.730 1.777
5 HB2 MET 1 HB2 MET 1 -15.797 15.573 1.428
6 HB3 MET 1 HB1 MET 1 -15.414 14.068 0.604
7 HG2 MET 1 HG2 MET 1 -14.269 13.281 2.636
8 HG3 MET 1 HG1 MET 1 -14.746 14.770 3.454
9 HE1 MET 1 HE1 MET 1 -16.495 12.098 1.085
10 HE2 MET 1 HE2 MET 1 -17.450 11.245 2.299
11 HE3 MET 1 HE3 MET 1 -15.689 11.239 2.394
12 H LYS 2 HN LYS 2 -11.988 13.860 1.988
13 HA LYS 2 HA LYS 2 -11.446 12.405 -0.514
14 HB2 LYS 2 HB2 LYS 2 -9.421 13.172 1.601
15 HB3 LYS 2 HB1 LYS 2 -9.089 12.257 0.135
16 HG2 LYS 2 HG2 LYS 2 -9.854 14.257 -1.171
17 HG3 LYS 2 HG1 LYS 2 -9.905 15.142 0.354
18 HD2 LYS 2 HD2 LYS 2 -7.574 14.905 0.671
19 HD3 LYS 2 HD1 LYS 2 -7.452 13.702 -0.616
20 HE2 LYS 2 HE2 LYS 2 -8.255 16.580 -1.033
21 HE3 LYS 2 HE1 LYS 2 -6.618 15.960 -1.254
22 HZ1 LYS 2 HZ1 LYS 2 -7.481 14.443 -2.946
23 HZ2 LYS 2 HZ2 LYS 2 -7.774 16.057 -3.356
24 HZ3 LYS 2 HZ3 LYS 2 -9.030 15.097 -2.762
25 H VAL 3 HN VAL 3 -10.199 10.305 0.009
26 HA VAL 3 HA VAL 3 -11.850 8.732 1.685
27 HB VAL 3 HB VAL 3 -10.747 7.818 -0.321
28 HG11 VAL 3 HG11 VAL 3 -8.593 8.864 -0.247
29 HG12 VAL 3 HG12 VAL 3 -8.361 7.119 -0.163
30 HG13 VAL 3 HG13 VAL 3 -8.220 8.099 1.298
31 HG21 VAL 3 HG21 VAL 3 -10.087 6.450 2.279
32 HG22 VAL 3 HG22 VAL 3 -10.019 5.677 0.695
33 HG23 VAL 3 HG23 VAL 3 -11.557 6.273 1.319
34 H HIS 4 HN HIS 4 -11.745 8.386 3.788
35 HA HIS 4 HA HIS 4 -9.191 8.513 5.177
36 HB2 HIS 4 HB2 HIS 4 -10.368 10.833 5.101
37 HB3 HIS 4 HB1 HIS 4 -11.458 10.137 6.293
38 HD1 HIS 4 HD1 HIS 4 -10.460 12.077 7.861
39 HD2 HIS 4 HD2 HIS 4 -7.826 9.031 6.813
40 HE1 HIS 4 HE1 HIS 4 -8.539 12.256 9.473
41 HE2 HIS 4 HE2 HIS 4 -7.048 10.304 8.932
42 H ARG 5 HN ARG 5 -12.555 7.617 5.070
43 HA ARG 5 HA ARG 5 -12.721 6.507 7.671
44 HB2 ARG 5 HB2 ARG 5 -14.594 7.105 5.942
45 HB3 ARG 5 HB1 ARG 5 -14.335 5.464 5.372
46 HG2 ARG 5 HG2 ARG 5 -16.114 5.318 6.880
47 HG3 ARG 5 HG1 ARG 5 -14.711 4.725 7.769
48 HD2 ARG 5 HD2 ARG 5 -15.710 7.566 7.933
49 HD3 ARG 5 HD1 ARG 5 -16.219 6.294 9.039
50 HE ARG 5 HE ARG 5 -13.840 6.104 9.689
51 HH11 ARG 5 HH11 ARG 5 -14.994 9.088 8.236
52 HH12 ARG 5 HH12 ARG 5 -13.719 10.048 8.909
53 HH21 ARG 5 HH21 ARG 5 -12.172 7.392 10.575
54 HH22 ARG 5 HH22 ARG 5 -12.111 9.086 10.216
55 H MET 6 HN MET 6 -12.244 4.988 4.485
56 HA MET 6 HA MET 6 -10.574 2.961 5.720
57 HB2 MET 6 HB2 MET 6 -11.898 1.177 4.385
58 HB3 MET 6 HB1 MET 6 -12.532 1.717 5.932
59 HG2 MET 6 HG2 MET 6 -14.158 3.096 4.869
60 HG3 MET 6 HG1 MET 6 -13.425 2.834 3.287
61 HE1 MET 6 HE1 MET 6 -15.629 -0.452 5.674
62 HE2 MET 6 HE2 MET 6 -15.301 1.169 6.286
63 HE3 MET 6 HE3 MET 6 -13.976 0.030 6.053
64 HA PRO 7 HA PRO 7 -8.983 4.289 1.647
65 HB2 PRO 7 HB2 PRO 7 -6.352 3.925 2.828
66 HB3 PRO 7 HB1 PRO 7 -7.109 5.406 2.233
67 HG2 PRO 7 HG2 PRO 7 -6.605 4.927 4.869
68 HG3 PRO 7 HG1 PRO 7 -7.912 5.976 4.296
69 HD2 PRO 7 HD2 PRO 7 -8.038 3.150 5.270
70 HD3 PRO 7 HD1 PRO 7 -9.165 4.496 5.551
71 H LYS 8 HN LYS 8 -8.138 1.589 3.703
72 HA LYS 8 HA LYS 8 -7.817 -0.093 1.346
73 HB2 LYS 8 HB2 LYS 8 -5.732 0.264 3.490
74 HB3 LYS 8 HB1 LYS 8 -5.843 -1.224 2.560
75 HG2 LYS 8 HG2 LYS 8 -5.607 0.147 0.487
76 HG3 LYS 8 HG1 LYS 8 -5.288 1.542 1.520
77 HD2 LYS 8 HD2 LYS 8 -3.352 0.416 2.469
78 HD3 LYS 8 HD1 LYS 8 -3.691 -1.016 1.497
79 HE2 LYS 8 HE2 LYS 8 -3.057 1.717 0.384
80 HE3 LYS 8 HE1 LYS 8 -1.888 0.410 0.566
81 HZ1 LYS 8 HZ1 LYS 8 -4.287 0.430 -1.182
82 HZ2 LYS 8 HZ2 LYS 8 -3.335 -0.939 -0.910
83 HZ3 LYS 8 HZ3 LYS 8 -2.668 0.414 -1.669
84 H GLY 9 HN GLY 9 -7.555 -2.478 2.154
85 HA2 GLY 9 HA2 GLY 9 -9.000 -2.955 4.645
86 HA3 GLY 9 HA1 GLY 9 -9.765 -3.505 3.160
87 H VAL 10 HN VAL 10 -8.041 -4.573 5.676
88 HA VAL 10 HA VAL 10 -6.308 -6.370 4.159
89 HB VAL 10 HB VAL 10 -6.571 -6.402 7.149
90 HG11 VAL 10 HG11 VAL 10 -5.273 -8.181 6.114
91 HG12 VAL 10 HG12 VAL 10 -4.220 -7.104 7.033
92 HG13 VAL 10 HG13 VAL 10 -4.278 -6.992 5.274
93 HG21 VAL 10 HG21 VAL 10 -4.921 -4.468 5.529
94 HG22 VAL 10 HG22 VAL 10 -4.738 -4.742 7.260
95 HG23 VAL 10 HG23 VAL 10 -6.242 -4.075 6.627
96 H VAL 11 HN VAL 11 -7.509 -7.975 3.282
97 HA VAL 11 HA VAL 11 -9.211 -9.523 5.113
98 HB VAL 11 HB VAL 11 -10.441 -10.214 2.943
99 HG11 VAL 11 HG11 VAL 11 -10.752 -7.451 4.110
100 HG12 VAL 11 HG12 VAL 11 -11.506 -8.934 4.694
101 HG13 VAL 11 HG13 VAL 11 -11.957 -8.276 3.122
102 HG21 VAL 11 HG21 VAL 11 -10.463 -8.559 1.173
103 HG22 VAL 11 HG22 VAL 11 -8.825 -9.171 1.403
104 HG23 VAL 11 HG23 VAL 11 -9.271 -7.586 2.033
105 H LEU 12 HN LEU 12 -9.198 -11.765 4.891
106 HA LEU 12 HA LEU 12 -6.717 -12.816 3.841
107 HB2 LEU 12 HB2 LEU 12 -7.702 -13.504 6.052
108 HB3 LEU 12 HB1 LEU 12 -8.971 -14.326 5.164
109 HG LEU 12 HG LEU 12 -7.101 -15.654 4.032
110 HD11 LEU 12 HD11 LEU 12 -5.229 -14.243 4.658
111 HD12 LEU 12 HD12 LEU 12 -5.029 -15.866 5.318
112 HD13 LEU 12 HD13 LEU 12 -5.548 -14.547 6.365
113 HD21 LEU 12 HD21 LEU 12 -6.965 -17.224 5.920
114 HD22 LEU 12 HD22 LEU 12 -8.603 -16.628 5.658
115 HD23 LEU 12 HD23 LEU 12 -7.633 -15.982 6.980
116 H VAL 13 HN VAL 13 -7.294 -12.266 1.622
117 HA VAL 13 HA VAL 13 -9.104 -14.237 0.392
118 HB VAL 13 HB VAL 13 -9.089 -12.700 -1.599
119 HG11 VAL 13 HG11 VAL 13 -10.131 -11.517 0.970
120 HG12 VAL 13 HG12 VAL 13 -10.937 -12.754 0.006
121 HG13 VAL 13 HG13 VAL 13 -10.694 -11.139 -0.660
122 HG21 VAL 13 HG21 VAL 13 -8.419 -10.357 -1.209
123 HG22 VAL 13 HG22 VAL 13 -7.055 -11.471 -1.145
124 HG23 VAL 13 HG23 VAL 13 -7.739 -10.830 0.348
125 H GLY 14 HN GLY 14 -6.297 -14.587 1.223
126 HA2 GLY 14 HA2 GLY 14 -5.108 -16.321 -0.180
127 HA3 GLY 14 HA1 GLY 14 -5.064 -15.068 -1.413
128 H LYS 15 HN LYS 15 -2.814 -15.045 -1.484
129 HA LYS 15 HA LYS 15 -1.348 -14.416 0.954
130 HB2 LYS 15 HB2 LYS 15 0.655 -14.650 -0.483
131 HB3 LYS 15 HB1 LYS 15 -0.369 -16.078 -0.513
132 HG2 LYS 15 HG2 LYS 15 -1.250 -15.454 -2.669
133 HG3 LYS 15 HG1 LYS 15 -0.360 -13.932 -2.626
134 HD2 LYS 15 HD2 LYS 15 0.988 -15.266 -3.957
135 HD3 LYS 15 HD1 LYS 15 1.729 -15.447 -2.367
136 HE2 LYS 15 HE2 LYS 15 0.299 -17.525 -2.092
137 HE3 LYS 15 HE1 LYS 15 -0.079 -17.370 -3.803
138 HZ1 LYS 15 HZ1 LYS 15 2.329 -17.472 -4.259
139 HZ2 LYS 15 HZ2 LYS 15 1.727 -18.881 -3.550
140 HZ3 LYS 15 HZ3 LYS 15 2.606 -17.778 -2.620
141 H ALA 16 HN ALA 16 -3.192 -12.459 -0.057
142 HA ALA 16 HA ALA 16 -2.093 -10.415 -1.575
143 HB1 ALA 16 HB1 ALA 16 -4.009 -10.124 0.736
144 HB2 ALA 16 HB2 ALA 16 -4.460 -10.544 -0.915
145 HB3 ALA 16 HB3 ALA 16 -3.759 -8.962 -0.569
146 H TRP 17 HN TRP 17 -1.849 -10.987 1.913
147 HA TRP 17 HA TRP 17 -0.491 -8.590 2.547
148 HB2 TRP 17 HB2 TRP 17 -1.623 -10.140 4.193
149 HB3 TRP 17 HB1 TRP 17 -0.255 -11.231 4.009
150 HD1 TRP 17 HD1 TRP 17 -1.289 -7.978 5.666
151 HE1 TRP 17 HE1 TRP 17 0.570 -7.220 7.278
152 HE3 TRP 17 HE3 TRP 17 2.343 -11.336 4.365
153 HZ2 TRP 17 HZ2 TRP 17 3.219 -7.943 7.901
154 HZ3 TRP 17 HZ3 TRP 17 4.515 -11.226 5.508
155 HH2 TRP 17 HH2 TRP 17 4.944 -9.562 7.240
156 H GLU 18 HN GLU 18 0.644 -11.848 1.755
157 HA GLU 18 HA GLU 18 3.389 -11.421 2.134
158 HB2 GLU 18 HB2 GLU 18 2.142 -13.276 0.100
159 HB3 GLU 18 HB1 GLU 18 3.724 -13.428 0.851
160 HG2 GLU 18 HG2 GLU 18 1.341 -13.399 2.617
161 HG3 GLU 18 HG1 GLU 18 1.649 -14.845 1.660
162 H ILE 19 HN ILE 19 1.327 -11.002 -0.699
163 HA ILE 19 HA ILE 19 3.337 -10.363 -2.554
164 HB ILE 19 HB ILE 19 0.443 -9.487 -2.477
165 HG12 ILE 19 HG12 ILE 19 1.767 -11.651 -4.122
166 HG13 ILE 19 HG11 ILE 19 0.924 -11.956 -2.609
167 HG21 ILE 19 HG21 ILE 19 0.730 -9.065 -4.912
168 HG22 ILE 19 HG22 ILE 19 2.466 -9.293 -4.707
169 HG23 ILE 19 HG23 ILE 19 1.649 -7.959 -3.892
170 HD11 ILE 19 HD11 ILE 19 -0.488 -12.462 -4.511
171 HD12 ILE 19 HD12 ILE 19 -0.298 -10.814 -5.110
172 HD13 ILE 19 HD13 ILE 19 -1.140 -11.109 -3.590
173 H ARG 20 HN ARG 20 1.316 -8.277 -0.504
174 HA ARG 20 HA ARG 20 2.374 -5.824 -1.356
175 HB2 ARG 20 HB2 ARG 20 1.027 -6.703 1.176
176 HB3 ARG 20 HB1 ARG 20 1.663 -5.073 1.029
177 HG2 ARG 20 HG2 ARG 20 0.246 -5.110 -1.204
178 HG3 ARG 20 HG1 ARG 20 -0.658 -6.333 -0.309
179 HD2 ARG 20 HD2 ARG 20 -1.709 -4.269 0.175
180 HD3 ARG 20 HD1 ARG 20 -0.758 -4.680 1.602
181 HE ARG 20 HE ARG 20 -0.034 -2.653 -0.410
182 HH11 ARG 20 HH11 ARG 20 0.209 -3.953 2.845
183 HH12 ARG 20 HH12 ARG 20 1.236 -2.675 3.408
184 HH21 ARG 20 HH21 ARG 20 1.309 -0.962 0.360
185 HH22 ARG 20 HH22 ARG 20 1.848 -0.980 2.009
186 H ALA 21 HN ALA 21 3.352 -7.928 1.319
187 HA ALA 21 HA ALA 21 5.369 -6.244 2.327
188 HB1 ALA 21 HB1 ALA 21 4.320 -8.211 3.486
189 HB2 ALA 21 HB2 ALA 21 6.076 -8.110 3.613
190 HB3 ALA 21 HB3 ALA 21 5.338 -9.245 2.485
191 H LYS 22 HN LYS 22 5.494 -8.916 -0.010
192 HA LYS 22 HA LYS 22 8.308 -8.820 -0.324
193 HB2 LYS 22 HB2 LYS 22 6.647 -10.702 -0.974
194 HB3 LYS 22 HB1 LYS 22 6.453 -9.801 -2.473
195 HG2 LYS 22 HG2 LYS 22 8.813 -10.008 -2.953
196 HG3 LYS 22 HG1 LYS 22 9.088 -10.794 -1.398
197 HD2 LYS 22 HD2 LYS 22 7.534 -12.613 -2.137
198 HD3 LYS 22 HD1 LYS 22 7.509 -11.862 -3.733
199 HE2 LYS 22 HE2 LYS 22 9.971 -12.855 -2.306
200 HE3 LYS 22 HE1 LYS 22 9.129 -13.711 -3.595
201 HZ1 LYS 22 HZ1 LYS 22 9.566 -11.726 -5.016
202 HZ2 LYS 22 HZ2 LYS 22 10.949 -12.585 -4.560
203 HZ3 LYS 22 HZ3 LYS 22 10.574 -11.129 -3.789
204 H LEU 23 HN LEU 23 5.636 -7.284 -2.043
205 HA LEU 23 HA LEU 23 7.186 -6.204 -4.151
206 HB2 LEU 23 HB2 LEU 23 4.454 -5.865 -3.125
207 HB3 LEU 23 HB1 LEU 23 5.114 -4.425 -3.872
208 HG LEU 23 HG LEU 23 5.481 -5.603 -5.950
209 HD11 LEU 23 HD11 LEU 23 6.070 -7.791 -5.186
210 HD12 LEU 23 HD12 LEU 23 4.653 -7.930 -6.227
211 HD13 LEU 23 HD13 LEU 23 4.475 -8.027 -4.474
212 HD21 LEU 23 HD21 LEU 23 3.305 -4.605 -5.620
213 HD22 LEU 23 HD22 LEU 23 2.726 -6.069 -4.827
214 HD23 LEU 23 HD23 LEU 23 3.144 -6.101 -6.540
215 H LYS 24 HN LYS 24 6.371 -4.999 -0.946
216 HA LYS 24 HA LYS 24 7.341 -2.367 -1.342
217 HB2 LYS 24 HB2 LYS 24 5.817 -2.858 0.466
218 HB3 LYS 24 HB1 LYS 24 6.956 -3.989 1.178
219 HG2 LYS 24 HG2 LYS 24 8.444 -2.224 1.784
220 HG3 LYS 24 HG1 LYS 24 7.497 -1.045 0.873
221 HD2 LYS 24 HD2 LYS 24 7.005 -0.817 3.223
222 HD3 LYS 24 HD1 LYS 24 5.590 -1.465 2.395
223 HE2 LYS 24 HE2 LYS 24 5.868 -2.673 4.438
224 HE3 LYS 24 HE1 LYS 24 6.306 -3.742 3.109
225 HZ1 LYS 24 HZ1 LYS 24 8.400 -2.186 4.458
226 HZ2 LYS 24 HZ2 LYS 24 8.522 -3.676 3.657
227 HZ3 LYS 24 HZ3 LYS 24 7.807 -3.590 5.190
228 H GLU 25 HN GLU 25 8.866 -5.312 -0.081
229 HA GLU 25 HA GLU 25 11.332 -3.931 0.448
230 HB2 GLU 25 HB2 GLU 25 10.263 -6.579 0.966
231 HB3 GLU 25 HB1 GLU 25 11.925 -6.648 0.402
232 HG2 GLU 25 HG2 GLU 25 11.571 -6.507 2.901
233 HG3 GLU 25 HG1 GLU 25 12.707 -5.356 2.194
234 H TYR 26 HN TYR 26 9.950 -5.622 -2.229
235 HA TYR 26 HA TYR 26 12.415 -6.030 -3.643
236 HB2 TYR 26 HB2 TYR 26 9.938 -7.083 -3.910
237 HB3 TYR 26 HB1 TYR 26 9.862 -5.839 -5.150
238 HD1 TYR 26 HD1 TYR 26 12.017 -5.812 -6.748
239 HD2 TYR 26 HD2 TYR 26 10.647 -9.167 -4.530
240 HE1 TYR 26 HE1 TYR 26 13.173 -7.311 -8.318
241 HE2 TYR 26 HE2 TYR 26 11.799 -10.678 -6.088
242 HH TYR 26 HH TYR 26 14.038 -9.536 -8.449
243 H GLY 27 HN GLY 27 9.891 -3.603 -3.515
244 HA2 GLY 27 HA2 GLY 27 11.322 -1.973 -5.504
245 HA3 GLY 27 HA1 GLY 27 9.641 -1.769 -5.040
246 H ARG 28 HN ARG 28 12.596 -2.077 -3.117
247 HA ARG 28 HA ARG 28 11.796 -0.028 -1.319
248 HB2 ARG 28 HB2 ARG 28 13.715 -2.064 -1.358
249 HB3 ARG 28 HB1 ARG 28 14.635 -0.572 -1.255
250 HG2 ARG 28 HG2 ARG 28 13.553 0.059 0.764
251 HG3 ARG 28 HG1 ARG 28 12.352 -1.223 0.588
252 HD2 ARG 28 HD2 ARG 28 15.288 -1.522 1.175
253 HD3 ARG 28 HD1 ARG 28 13.931 -1.942 2.222
254 HE ARG 28 HE ARG 28 13.483 -3.474 0.063
255 HH11 ARG 28 HH11 ARG 28 16.336 -2.983 2.034
256 HH12 ARG 28 HH12 ARG 28 16.972 -4.568 1.719
257 HH21 ARG 28 HH21 ARG 28 14.302 -5.550 -0.345
258 HH22 ARG 28 HH22 ARG 28 15.805 -6.037 0.375
259 H THR 29 HN THR 29 11.501 1.893 -2.358
260 HA THR 29 HA THR 29 13.258 3.016 -4.248
261 HB THR 29 HB THR 29 12.038 5.198 -3.380
262 HG1 THR 29 HG1 THR 29 10.046 4.635 -2.388
263 HG21 THR 29 HG21 THR 29 11.607 4.289 -5.549
264 HG22 THR 29 HG22 THR 29 10.046 4.523 -4.760
265 HG23 THR 29 HG23 THR 29 10.752 2.909 -4.865
266 H PHE 30 HN PHE 30 12.749 3.841 -0.815
267 HA PHE 30 HA PHE 30 15.553 4.703 -0.712
268 HB2 PHE 30 HB2 PHE 30 13.145 6.220 0.276
269 HB3 PHE 30 HB1 PHE 30 14.767 6.530 0.888
270 HD1 PHE 30 HD2 PHE 30 16.548 6.633 -1.200
271 HD2 PHE 30 HD1 PHE 30 12.438 7.735 -1.288
272 HE1 PHE 30 HE2 PHE 30 16.993 8.118 -3.111
273 HE2 PHE 30 HE1 PHE 30 12.871 9.216 -3.204
274 HZ PHE 30 HZ PHE 30 15.153 9.407 -4.115
275 H GLN 31 HN GLN 31 16.665 3.916 0.925
276 HA GLN 31 HA GLN 31 15.318 2.210 2.839
277 HB2 GLN 31 HB2 GLN 31 17.940 2.113 3.564
278 HB3 GLN 31 HB1 GLN 31 17.201 1.066 2.365
279 HG2 GLN 31 HG2 GLN 31 19.266 1.923 1.512
280 HG3 GLN 31 HG1 GLN 31 17.928 2.609 0.597
281 HE21 GLN 31 HE21 GLN 31 20.442 3.246 2.912
282 HE22 GLN 31 HE22 GLN 31 20.398 4.969 2.779
283 H TYR 32 HN TYR 32 16.779 5.340 2.729
284 HA TYR 32 HA TYR 32 17.351 5.699 5.450
285 HB2 TYR 32 HB2 TYR 32 18.054 7.177 3.504
286 HB3 TYR 32 HB1 TYR 32 16.439 7.876 3.568
287 HD1 TYR 32 HD2 TYR 32 19.365 7.189 5.781
288 HD2 TYR 32 HD1 TYR 32 16.096 9.760 4.886
289 HE1 TYR 32 HE2 TYR 32 20.125 8.748 7.525
290 HE2 TYR 32 HE1 TYR 32 16.849 11.330 6.622
291 HH TYR 32 HH TYR 32 18.457 10.856 8.968
292 H VAL 33 HN VAL 33 14.414 6.376 3.595
293 HA VAL 33 HA VAL 33 12.965 7.534 5.741
294 HB VAL 33 HB VAL 33 11.783 6.154 3.321
295 HG11 VAL 33 HG11 VAL 33 9.912 7.675 3.654
296 HG12 VAL 33 HG12 VAL 33 10.722 8.393 5.045
297 HG13 VAL 33 HG13 VAL 33 10.193 6.711 5.105
298 HG21 VAL 33 HG21 VAL 33 13.241 7.682 2.344
299 HG22 VAL 33 HG22 VAL 33 13.009 8.872 3.623
300 HG23 VAL 33 HG23 VAL 33 11.726 8.580 2.448
301 H LYS 34 HN LYS 34 13.655 4.305 4.809
302 HA LYS 34 HA LYS 34 11.480 3.039 6.162
303 HB2 LYS 34 HB2 LYS 34 12.613 1.979 4.268
304 HB3 LYS 34 HB1 LYS 34 14.120 1.950 5.170
305 HG2 LYS 34 HG2 LYS 34 13.004 0.464 6.837
306 HG3 LYS 34 HG1 LYS 34 11.620 0.384 5.746
307 HD2 LYS 34 HD2 LYS 34 13.017 -0.573 4.000
308 HD3 LYS 34 HD1 LYS 34 14.440 -0.423 5.035
309 HE2 LYS 34 HE2 LYS 34 13.727 -2.688 5.156
310 HE3 LYS 34 HE1 LYS 34 13.278 -1.923 6.677
311 HZ1 LYS 34 HZ1 LYS 34 11.431 -3.167 6.027
312 HZ2 LYS 34 HZ2 LYS 34 11.525 -2.664 4.411
313 HZ3 LYS 34 HZ3 LYS 34 11.025 -1.578 5.614
314 H ASP 35 HN ASP 35 14.819 3.825 6.958
315 HA ASP 35 HA ASP 35 14.627 2.495 9.537
316 HB2 ASP 35 HB2 ASP 35 16.854 3.899 8.077
317 HB3 ASP 35 HB1 ASP 35 17.004 3.478 9.780
318 H TRP 36 HN TRP 36 14.224 5.650 8.222
319 HA TRP 36 HA TRP 36 14.686 7.039 10.701
320 HB2 TRP 36 HB2 TRP 36 14.742 7.850 8.120
321 HB3 TRP 36 HB1 TRP 36 13.131 8.390 8.585
322 HD1 TRP 36 HD1 TRP 36 16.752 8.712 9.954
323 HE1 TRP 36 HE1 TRP 36 17.001 11.055 10.985
324 HE3 TRP 36 HE3 TRP 36 11.968 10.408 9.283
325 HZ2 TRP 36 HZ2 TRP 36 15.386 13.314 11.458
326 HZ3 TRP 36 HZ3 TRP 36 11.405 12.672 10.062
327 HH2 TRP 36 HH2 TRP 36 13.081 14.095 11.127
328 H ILE 37 HN ILE 37 13.246 5.773 12.007
329 HA ILE 37 HA ILE 37 10.438 6.618 11.717
330 HB ILE 37 HB ILE 37 9.840 4.520 12.968
331 HG12 ILE 37 HG12 ILE 37 12.574 3.547 12.140
332 HG13 ILE 37 HG11 ILE 37 12.249 4.173 13.754
333 HG21 ILE 37 HG21 ILE 37 9.918 3.095 11.005
334 HG22 ILE 37 HG22 ILE 37 11.155 4.126 10.285
335 HG23 ILE 37 HG23 ILE 37 9.528 4.754 10.545
336 HD11 ILE 37 HD11 ILE 37 10.595 2.411 14.107
337 HD12 ILE 37 HD12 ILE 37 12.172 1.739 13.694
338 HD13 ILE 37 HD13 ILE 37 10.895 1.802 12.480
339 H SER 38 HN SER 38 13.197 6.509 13.741
340 HA SER 38 HA SER 38 11.629 7.036 16.136
341 HB2 SER 38 HB2 SER 38 14.600 6.611 15.751
342 HB3 SER 38 HB1 SER 38 13.828 6.897 17.310
343 HG SER 38 HG SER 38 12.546 4.995 16.873
344 H LYS 39 HN LYS 39 13.992 8.599 14.034
345 HA LYS 39 HA LYS 39 14.516 10.780 13.690
346 HB2 LYS 39 HB2 LYS 39 12.170 11.293 13.616
347 HB3 LYS 39 HB1 LYS 39 12.044 11.230 15.366
348 HG2 LYS 39 HG2 LYS 39 13.428 13.241 15.531
349 HG3 LYS 39 HG1 LYS 39 13.542 13.298 13.770
350 HD2 LYS 39 HD2 LYS 39 11.291 13.818 13.514
351 HD3 LYS 39 HD1 LYS 39 10.871 13.225 15.121
352 HE2 LYS 39 HE2 LYS 39 12.060 15.103 16.127
353 HE3 LYS 39 HE1 LYS 39 12.501 15.686 14.524
354 HZ1 LYS 39 HZ1 LYS 39 10.176 16.016 14.026
355 HZ2 LYS 39 HZ2 LYS 39 10.591 16.864 15.427
356 HZ3 LYS 39 HZ3 LYS 39 9.727 15.416 15.541
357 HA PRO 40 HA PRO 40 16.982 10.758 17.510
358 HB2 PRO 40 HB2 PRO 40 19.239 11.702 16.317
359 HB3 PRO 40 HB1 PRO 40 18.781 9.994 16.316
360 HG2 PRO 40 HG2 PRO 40 18.441 12.048 14.172
361 HG3 PRO 40 HG1 PRO 40 18.935 10.350 14.032
362 HD2 PRO 40 HD2 PRO 40 16.419 11.195 13.480
363 HD3 PRO 40 HD1 PRO 40 16.767 9.580 14.127
Start of MODEL 4
1 H1 MET 1 HT1 MET 1 18.788 -7.325 -28.592
2 H2 MET 1 HT2 MET 1 19.116 -7.453 -26.941
3 H3 MET 1 HT3 MET 1 17.522 -7.293 -27.473
4 HA MET 1 HA MET 1 17.766 -9.419 -28.682
5 HB2 MET 1 HB2 MET 1 19.586 -10.896 -28.060
6 HB3 MET 1 HB1 MET 1 20.231 -9.407 -28.734
7 HG2 MET 1 HG2 MET 1 20.670 -8.596 -26.454
8 HG3 MET 1 HG1 MET 1 20.082 -10.127 -25.816
9 HE1 MET 1 HE1 MET 1 22.285 -9.474 -29.042
10 HE2 MET 1 HE2 MET 1 23.903 -9.651 -28.361
11 HE3 MET 1 HE3 MET 1 22.877 -8.311 -27.854
12 H LYS 2 HN LYS 2 17.819 -8.053 -25.560
13 HA LYS 2 HA LYS 2 15.807 -9.828 -24.618
14 HB2 LYS 2 HB2 LYS 2 16.961 -10.867 -22.781
15 HB3 LYS 2 HB1 LYS 2 17.861 -11.216 -24.247
16 HG2 LYS 2 HG2 LYS 2 19.549 -9.649 -23.698
17 HG3 LYS 2 HG1 LYS 2 18.586 -8.974 -22.384
18 HD2 LYS 2 HD2 LYS 2 18.696 -11.245 -21.293
19 HD3 LYS 2 HD1 LYS 2 19.891 -11.682 -22.514
20 HE2 LYS 2 HE2 LYS 2 20.120 -9.407 -20.547
21 HE3 LYS 2 HE1 LYS 2 20.953 -10.958 -20.439
22 HZ1 LYS 2 HZ1 LYS 2 22.364 -9.213 -21.356
23 HZ2 LYS 2 HZ2 LYS 2 21.282 -8.987 -22.632
24 HZ3 LYS 2 HZ3 LYS 2 22.118 -10.448 -22.482
25 H VAL 3 HN VAL 3 14.739 -8.975 -22.805
26 HA VAL 3 HA VAL 3 15.502 -6.226 -22.215
27 HB VAL 3 HB VAL 3 13.196 -6.415 -22.715
28 HG11 VAL 3 HG11 VAL 3 13.160 -8.715 -20.787
29 HG12 VAL 3 HG12 VAL 3 12.713 -8.697 -22.491
30 HG13 VAL 3 HG13 VAL 3 11.686 -7.893 -21.307
31 HG21 VAL 3 HG21 VAL 3 12.658 -6.334 -19.859
32 HG22 VAL 3 HG22 VAL 3 12.528 -5.062 -21.073
33 HG23 VAL 3 HG23 VAL 3 14.081 -5.390 -20.308
34 H HIS 4 HN HIS 4 14.915 -9.264 -20.448
35 HA HIS 4 HA HIS 4 16.874 -8.592 -18.468
36 HB2 HIS 4 HB2 HIS 4 14.130 -7.848 -17.975
37 HB3 HIS 4 HB1 HIS 4 14.618 -9.099 -16.838
38 HD1 HIS 4 HD1 HIS 4 16.274 -5.918 -18.149
39 HD2 HIS 4 HD2 HIS 4 15.543 -7.942 -14.589
40 HE1 HIS 4 HE1 HIS 4 17.284 -4.498 -16.336
41 HE2 HIS 4 HE2 HIS 4 16.995 -5.835 -14.228
42 H ARG 5 HN ARG 5 17.017 -10.364 -16.793
43 HA ARG 5 HA ARG 5 16.683 -12.916 -18.078
44 HB2 ARG 5 HB2 ARG 5 18.648 -12.364 -16.638
45 HB3 ARG 5 HB1 ARG 5 17.573 -12.312 -15.247
46 HG2 ARG 5 HG2 ARG 5 16.952 -14.724 -15.907
47 HG3 ARG 5 HG1 ARG 5 18.424 -14.673 -16.878
48 HD2 ARG 5 HD2 ARG 5 18.204 -14.235 -13.899
49 HD3 ARG 5 HD1 ARG 5 18.910 -15.629 -14.713
50 HE ARG 5 HE ARG 5 20.531 -13.890 -15.665
51 HH11 ARG 5 HH11 ARG 5 19.094 -13.719 -12.476
52 HH12 ARG 5 HH12 ARG 5 20.401 -12.805 -11.799
53 HH21 ARG 5 HH21 ARG 5 22.264 -12.694 -14.763
54 HH22 ARG 5 HH22 ARG 5 22.195 -12.224 -13.095
55 H MET 6 HN MET 6 14.950 -11.000 -15.819
56 HA MET 6 HA MET 6 12.907 -13.090 -15.606
57 HB2 MET 6 HB2 MET 6 14.590 -12.492 -13.510
58 HB3 MET 6 HB1 MET 6 13.208 -11.457 -13.183
59 HG2 MET 6 HG2 MET 6 11.784 -13.228 -12.849
60 HG3 MET 6 HG1 MET 6 12.759 -14.333 -13.817
61 HE1 MET 6 HE1 MET 6 11.447 -14.903 -10.849
62 HE2 MET 6 HE2 MET 6 12.754 -15.861 -10.156
63 HE3 MET 6 HE3 MET 6 12.265 -16.124 -11.829
64 HA PRO 7 HA PRO 7 11.026 -8.969 -16.503
65 HB2 PRO 7 HB2 PRO 7 10.483 -9.214 -19.099
66 HB3 PRO 7 HB1 PRO 7 12.121 -8.851 -18.545
67 HG2 PRO 7 HG2 PRO 7 11.009 -11.386 -19.611
68 HG3 PRO 7 HG1 PRO 7 12.662 -10.759 -19.701
69 HD2 PRO 7 HD2 PRO 7 11.614 -12.669 -17.852
70 HD3 PRO 7 HD1 PRO 7 13.245 -11.973 -17.881
71 H LYS 8 HN LYS 8 9.969 -11.926 -15.991
72 HA LYS 8 HA LYS 8 7.244 -11.459 -16.974
73 HB2 LYS 8 HB2 LYS 8 6.995 -13.957 -16.344
74 HB3 LYS 8 HB1 LYS 8 7.873 -13.530 -17.805
75 HG2 LYS 8 HG2 LYS 8 9.993 -13.729 -16.511
76 HG3 LYS 8 HG1 LYS 8 9.048 -14.346 -15.155
77 HD2 LYS 8 HD2 LYS 8 9.141 -15.566 -17.909
78 HD3 LYS 8 HD1 LYS 8 10.052 -16.150 -16.517
79 HE2 LYS 8 HE2 LYS 8 8.006 -16.652 -15.338
80 HE3 LYS 8 HE1 LYS 8 7.048 -15.943 -16.637
81 HZ1 LYS 8 HZ1 LYS 8 7.929 -17.668 -18.127
82 HZ2 LYS 8 HZ2 LYS 8 7.044 -18.312 -16.838
83 HZ3 LYS 8 HZ3 LYS 8 8.735 -18.377 -16.816
84 H GLY 9 HN GLY 9 6.163 -10.369 -15.469
85 HA2 GLY 9 HA2 GLY 9 6.595 -10.910 -12.646
86 HA3 GLY 9 HA1 GLY 9 5.551 -9.670 -13.328
87 H VAL 10 HN VAL 10 5.833 -13.125 -12.735
88 HA VAL 10 HA VAL 10 3.014 -13.556 -13.221
89 HB VAL 10 HB VAL 10 3.515 -15.906 -12.485
90 HG11 VAL 10 HG11 VAL 10 4.677 -16.507 -14.526
91 HG12 VAL 10 HG12 VAL 10 5.225 -14.841 -14.729
92 HG13 VAL 10 HG13 VAL 10 3.507 -15.226 -14.839
93 HG21 VAL 10 HG21 VAL 10 5.833 -16.607 -12.294
94 HG22 VAL 10 HG22 VAL 10 5.453 -15.400 -11.065
95 HG23 VAL 10 HG23 VAL 10 6.376 -14.942 -12.497
96 H VAL 11 HN VAL 11 1.541 -14.293 -11.634
97 HA VAL 11 HA VAL 11 2.284 -14.258 -8.853
98 HB VAL 11 HB VAL 11 2.026 -11.840 -9.389
99 HG11 VAL 11 HG11 VAL 11 -0.247 -10.947 -9.774
100 HG12 VAL 11 HG12 VAL 11 -0.831 -12.598 -9.973
101 HG13 VAL 11 HG13 VAL 11 0.344 -11.939 -11.110
102 HG21 VAL 11 HG21 VAL 11 1.692 -12.496 -7.126
103 HG22 VAL 11 HG22 VAL 11 0.054 -13.051 -7.469
104 HG23 VAL 11 HG23 VAL 11 0.431 -11.329 -7.533
105 H LEU 12 HN LEU 12 0.712 -15.181 -7.519
106 HA LEU 12 HA LEU 12 -1.429 -16.582 -8.957
107 HB2 LEU 12 HB2 LEU 12 -0.045 -17.120 -6.332
108 HB3 LEU 12 HB1 LEU 12 -1.537 -17.924 -6.774
109 HG LEU 12 HG LEU 12 0.109 -19.466 -7.340
110 HD11 LEU 12 HD11 LEU 12 0.005 -19.716 -9.692
111 HD12 LEU 12 HD12 LEU 12 -0.234 -17.986 -9.935
112 HD13 LEU 12 HD13 LEU 12 -1.506 -18.956 -9.190
113 HD21 LEU 12 HD21 LEU 12 2.060 -18.098 -7.030
114 HD22 LEU 12 HD22 LEU 12 1.702 -17.189 -8.498
115 HD23 LEU 12 HD23 LEU 12 2.154 -18.890 -8.602
116 H VAL 13 HN VAL 13 -3.416 -17.002 -7.436
117 HA VAL 13 HA VAL 13 -4.222 -14.355 -6.480
118 HB VAL 13 HB VAL 13 -6.560 -15.462 -6.448
119 HG11 VAL 13 HG11 VAL 13 -6.872 -14.963 -8.826
120 HG12 VAL 13 HG12 VAL 13 -5.124 -14.963 -9.052
121 HG13 VAL 13 HG13 VAL 13 -5.880 -13.741 -8.029
122 HG21 VAL 13 HG21 VAL 13 -5.857 -17.777 -6.692
123 HG22 VAL 13 HG22 VAL 13 -5.086 -17.399 -8.234
124 HG23 VAL 13 HG23 VAL 13 -6.838 -17.285 -8.073
125 H GLY 14 HN GLY 14 -2.915 -14.690 -4.562
126 HA2 GLY 14 HA2 GLY 14 -4.432 -15.228 -2.306
127 HA3 GLY 14 HA1 GLY 14 -3.518 -16.690 -2.650
128 H LYS 15 HN LYS 15 -3.213 -15.197 -0.308
129 HA LYS 15 HA LYS 15 -1.599 -14.410 1.070
130 HB2 LYS 15 HB2 LYS 15 0.315 -15.034 -1.190
131 HB3 LYS 15 HB1 LYS 15 0.745 -14.759 0.492
132 HG2 LYS 15 HG2 LYS 15 -0.263 -16.775 1.183
133 HG3 LYS 15 HG1 LYS 15 -1.074 -16.983 -0.371
134 HD2 LYS 15 HD2 LYS 15 1.202 -17.164 -1.420
135 HD3 LYS 15 HD1 LYS 15 1.874 -17.205 0.210
136 HE2 LYS 15 HE2 LYS 15 0.646 -19.211 0.718
137 HE3 LYS 15 HE1 LYS 15 -0.192 -19.136 -0.830
138 HZ1 LYS 15 HZ1 LYS 15 1.862 -19.540 -1.967
139 HZ2 LYS 15 HZ2 LYS 15 1.649 -20.745 -0.802
140 HZ3 LYS 15 HZ3 LYS 15 2.739 -19.484 -0.522
141 H ALA 16 HN ALA 16 -3.045 -12.542 -0.048
142 HA ALA 16 HA ALA 16 -1.839 -10.603 -1.650
143 HB1 ALA 16 HB1 ALA 16 -3.906 -10.085 0.472
144 HB2 ALA 16 HB2 ALA 16 -4.269 -10.772 -1.111
145 HB3 ALA 16 HB3 ALA 16 -3.604 -9.143 -0.988
146 H TRP 17 HN TRP 17 -1.837 -10.939 1.884
147 HA TRP 17 HA TRP 17 -0.541 -8.467 2.381
148 HB2 TRP 17 HB2 TRP 17 -0.923 -10.962 4.013
149 HB3 TRP 17 HB1 TRP 17 0.081 -9.644 4.602
150 HD1 TRP 17 HD1 TRP 17 -1.443 -7.110 4.259
151 HE1 TRP 17 HE1 TRP 17 -3.782 -6.700 5.250
152 HE3 TRP 17 HE3 TRP 17 -2.932 -11.966 4.881
153 HZ2 TRP 17 HZ2 TRP 17 -5.962 -8.228 6.178
154 HZ3 TRP 17 HZ3 TRP 17 -5.159 -12.401 5.831
155 HH2 TRP 17 HH2 TRP 17 -6.643 -10.568 6.467
156 H GLU 18 HN GLU 18 0.576 -11.688 1.631
157 HA GLU 18 HA GLU 18 3.311 -11.212 2.280
158 HB2 GLU 18 HB2 GLU 18 2.179 -13.477 2.079
159 HB3 GLU 18 HB1 GLU 18 2.253 -13.260 0.336
160 HG2 GLU 18 HG2 GLU 18 4.070 -14.656 1.195
161 HG3 GLU 18 HG1 GLU 18 4.650 -13.200 0.392
162 H ILE 19 HN ILE 19 1.343 -10.953 -0.626
163 HA ILE 19 HA ILE 19 3.441 -10.377 -2.433
164 HB ILE 19 HB ILE 19 0.521 -9.595 -2.557
165 HG12 ILE 19 HG12 ILE 19 0.802 -11.991 -2.546
166 HG13 ILE 19 HG11 ILE 19 0.393 -11.488 -4.182
167 HG21 ILE 19 HG21 ILE 19 0.892 -9.232 -4.958
168 HG22 ILE 19 HG22 ILE 19 2.616 -9.514 -4.727
169 HG23 ILE 19 HG23 ILE 19 1.842 -8.123 -3.971
170 HD11 ILE 19 HD11 ILE 19 3.039 -12.407 -3.114
171 HD12 ILE 19 HD12 ILE 19 2.894 -11.543 -4.643
172 HD13 ILE 19 HD13 ILE 19 2.080 -13.091 -4.425
173 H ARG 20 HN ARG 20 1.342 -8.345 -0.451
174 HA ARG 20 HA ARG 20 2.253 -5.844 -1.358
175 HB2 ARG 20 HB2 ARG 20 0.240 -6.436 0.164
176 HB3 ARG 20 HB1 ARG 20 1.398 -6.357 1.484
177 HG2 ARG 20 HG2 ARG 20 0.643 -4.224 1.550
178 HG3 ARG 20 HG1 ARG 20 1.936 -4.009 0.368
179 HD2 ARG 20 HD2 ARG 20 -0.931 -4.583 -0.358
180 HD3 ARG 20 HD1 ARG 20 -0.259 -2.959 -0.243
181 HE ARG 20 HE ARG 20 1.222 -3.533 -2.080
182 HH11 ARG 20 HH11 ARG 20 -1.498 -5.680 -1.551
183 HH12 ARG 20 HH12 ARG 20 -1.520 -6.253 -3.186
184 HH21 ARG 20 HH21 ARG 20 1.187 -4.296 -4.235
185 HH22 ARG 20 HH22 ARG 20 0.012 -5.482 -4.708
186 H ALA 21 HN ALA 21 3.342 -7.916 1.300
187 HA ALA 21 HA ALA 21 5.346 -6.187 2.281
188 HB1 ALA 21 HB1 ALA 21 4.402 -8.116 3.531
189 HB2 ALA 21 HB2 ALA 21 6.165 -8.088 3.511
190 HB3 ALA 21 HB3 ALA 21 5.288 -9.199 2.460
191 H LYS 22 HN LYS 22 5.377 -8.737 -0.154
192 HA LYS 22 HA LYS 22 8.177 -8.756 -0.553
193 HB2 LYS 22 HB2 LYS 22 6.521 -10.558 -1.221
194 HB3 LYS 22 HB1 LYS 22 6.089 -9.537 -2.587
195 HG2 LYS 22 HG2 LYS 22 7.705 -11.286 -3.173
196 HG3 LYS 22 HG1 LYS 22 8.338 -9.663 -3.447
197 HD2 LYS 22 HD2 LYS 22 9.627 -9.759 -1.427
198 HD3 LYS 22 HD1 LYS 22 8.882 -11.294 -0.979
199 HE2 LYS 22 HE2 LYS 22 9.894 -12.354 -2.929
200 HE3 LYS 22 HE1 LYS 22 10.626 -10.817 -3.388
201 HZ1 LYS 22 HZ1 LYS 22 12.285 -12.010 -2.272
202 HZ2 LYS 22 HZ2 LYS 22 11.241 -12.498 -1.039
203 HZ3 LYS 22 HZ3 LYS 22 11.734 -10.881 -1.132
204 H LEU 23 HN LEU 23 5.518 -7.097 -2.206
205 HA LEU 23 HA LEU 23 7.105 -5.901 -4.213
206 HB2 LEU 23 HB2 LEU 23 4.362 -5.568 -3.201
207 HB3 LEU 23 HB1 LEU 23 5.061 -4.113 -3.879
208 HG LEU 23 HG LEU 23 5.453 -5.229 -5.999
209 HD11 LEU 23 HD11 LEU 23 5.948 -7.461 -5.287
210 HD12 LEU 23 HD12 LEU 23 4.557 -7.512 -6.373
211 HD13 LEU 23 HD13 LEU 23 4.323 -7.658 -4.631
212 HD21 LEU 23 HD21 LEU 23 3.273 -4.181 -5.578
213 HD22 LEU 23 HD22 LEU 23 2.655 -5.735 -5.014
214 HD23 LEU 23 HD23 LEU 23 3.164 -5.546 -6.692
215 H LYS 24 HN LYS 24 6.336 -4.964 -0.931
216 HA LYS 24 HA LYS 24 7.536 -2.364 -1.173
217 HB2 LYS 24 HB2 LYS 24 5.725 -2.887 0.466
218 HB3 LYS 24 HB1 LYS 24 6.851 -3.926 1.327
219 HG2 LYS 24 HG2 LYS 24 8.307 -1.938 1.687
220 HG3 LYS 24 HG1 LYS 24 7.035 -0.944 0.974
221 HD2 LYS 24 HD2 LYS 24 5.516 -1.495 2.721
222 HD3 LYS 24 HD1 LYS 24 6.589 -2.747 3.346
223 HE2 LYS 24 HE2 LYS 24 8.253 -1.029 3.897
224 HE3 LYS 24 HE1 LYS 24 7.153 0.214 3.313
225 HZ1 LYS 24 HZ1 LYS 24 5.598 -0.363 5.023
226 HZ2 LYS 24 HZ2 LYS 24 7.100 -0.036 5.726
227 HZ3 LYS 24 HZ3 LYS 24 6.576 -1.635 5.556
228 H GLU 25 HN GLU 25 8.637 -5.548 -0.603
229 HA GLU 25 HA GLU 25 11.093 -4.756 0.690
230 HB2 GLU 25 HB2 GLU 25 10.103 -6.905 1.255
231 HB3 GLU 25 HB1 GLU 25 10.167 -7.406 -0.428
232 HG2 GLU 25 HG2 GLU 25 12.628 -7.297 -0.331
233 HG3 GLU 25 HG1 GLU 25 12.517 -6.888 1.378
234 H TYR 26 HN TYR 26 10.091 -5.896 -2.513
235 HA TYR 26 HA TYR 26 12.795 -5.639 -3.521
236 HB2 TYR 26 HB2 TYR 26 11.192 -7.473 -4.207
237 HB3 TYR 26 HB1 TYR 26 10.312 -6.248 -5.117
238 HD1 TYR 26 HD1 TYR 26 13.692 -7.779 -4.776
239 HD2 TYR 26 HD2 TYR 26 10.947 -5.745 -7.321
240 HE1 TYR 26 HE1 TYR 26 15.219 -8.105 -6.676
241 HE2 TYR 26 HE2 TYR 26 12.467 -6.072 -9.230
242 HH TYR 26 HH TYR 26 15.044 -6.421 -9.488
243 H GLY 27 HN GLY 27 9.779 -3.836 -3.673
244 HA2 GLY 27 HA2 GLY 27 10.994 -2.001 -5.631
245 HA3 GLY 27 HA1 GLY 27 9.286 -2.089 -5.231
246 H ARG 28 HN ARG 28 9.096 -1.801 -2.621
247 HA ARG 28 HA ARG 28 9.085 -0.293 -0.910
248 HB2 ARG 28 HB2 ARG 28 11.702 -0.851 -1.298
249 HB3 ARG 28 HB1 ARG 28 11.714 0.878 -1.616
250 HG2 ARG 28 HG2 ARG 28 10.453 1.073 0.624
251 HG3 ARG 28 HG1 ARG 28 11.032 -0.569 0.911
252 HD2 ARG 28 HD2 ARG 28 12.638 0.843 1.895
253 HD3 ARG 28 HD1 ARG 28 13.349 0.319 0.369
254 HE ARG 28 HE ARG 28 12.032 2.693 -0.155
255 HH11 ARG 28 HH11 ARG 28 14.722 1.616 1.823
256 HH12 ARG 28 HH12 ARG 28 15.499 3.167 1.817
257 HH21 ARG 28 HH21 ARG 28 13.045 4.723 -0.145
258 HH22 ARG 28 HH22 ARG 28 14.545 4.933 0.698
259 H THR 29 HN THR 29 7.897 0.473 -3.307
260 HA THR 29 HA THR 29 8.639 3.132 -4.043
261 HB THR 29 HB THR 29 5.948 1.906 -4.590
262 HG1 THR 29 HG1 THR 29 8.421 1.320 -5.897
263 HG21 THR 29 HG21 THR 29 6.299 4.186 -5.353
264 HG22 THR 29 HG22 THR 29 6.235 3.098 -6.738
265 HG23 THR 29 HG23 THR 29 7.787 3.709 -6.171
266 H PHE 30 HN PHE 30 8.442 4.713 -2.566
267 HA PHE 30 HA PHE 30 6.303 4.732 -0.627
268 HB2 PHE 30 HB2 PHE 30 8.710 6.429 -1.163
269 HB3 PHE 30 HB1 PHE 30 7.409 7.089 -0.182
270 HD1 PHE 30 HD2 PHE 30 10.007 4.500 -0.383
271 HD2 PHE 30 HD1 PHE 30 6.989 6.286 2.032
272 HE1 PHE 30 HE2 PHE 30 10.911 3.347 1.595
273 HE2 PHE 30 HE1 PHE 30 7.899 5.144 4.016
274 HZ PHE 30 HZ PHE 30 9.860 3.670 3.797
275 H GLN 31 HN GLN 31 4.638 4.761 -2.339
276 HA GLN 31 HA GLN 31 4.290 7.157 -3.889
277 HB2 GLN 31 HB2 GLN 31 2.271 4.996 -3.297
278 HB3 GLN 31 HB1 GLN 31 2.190 6.182 -4.591
279 HG2 GLN 31 HG2 GLN 31 3.949 5.168 -5.772
280 HG3 GLN 31 HG1 GLN 31 4.416 4.183 -4.382
281 HE21 GLN 31 HE21 GLN 31 3.728 3.349 -7.080
282 HE22 GLN 31 HE22 GLN 31 2.389 2.264 -6.924
283 H TYR 32 HN TYR 32 3.304 6.037 -0.771
284 HA TYR 32 HA TYR 32 1.032 7.574 -0.301
285 HB2 TYR 32 HB2 TYR 32 3.124 6.389 1.488
286 HB3 TYR 32 HB1 TYR 32 1.884 7.436 2.170
287 HD1 TYR 32 HD2 TYR 32 -0.511 6.789 1.966
288 HD2 TYR 32 HD1 TYR 32 2.634 4.145 0.868
289 HE1 TYR 32 HE2 TYR 32 -2.080 4.897 2.066
290 HE2 TYR 32 HE1 TYR 32 1.081 2.244 0.969
291 HH TYR 32 HH TYR 32 -2.307 2.633 1.174
292 H VAL 33 HN VAL 33 4.443 8.416 0.182
293 HA VAL 33 HA VAL 33 3.855 10.957 1.338
294 HB VAL 33 HB VAL 33 6.215 11.437 1.204
295 HG11 VAL 33 HG11 VAL 33 7.115 9.499 2.414
296 HG12 VAL 33 HG12 VAL 33 5.705 8.558 1.930
297 HG13 VAL 33 HG13 VAL 33 5.511 9.956 2.984
298 HG21 VAL 33 HG21 VAL 33 6.408 8.982 -0.539
299 HG22 VAL 33 HG22 VAL 33 7.780 9.873 0.119
300 HG23 VAL 33 HG23 VAL 33 6.695 10.649 -1.031
301 H LYS 34 HN LYS 34 3.606 9.860 -1.788
302 HA LYS 34 HA LYS 34 4.252 12.438 -3.011
303 HB2 LYS 34 HB2 LYS 34 3.536 9.736 -4.142
304 HB3 LYS 34 HB1 LYS 34 3.524 11.184 -5.137
305 HG2 LYS 34 HG2 LYS 34 5.958 11.453 -4.160
306 HG3 LYS 34 HG1 LYS 34 5.811 9.703 -3.972
307 HD2 LYS 34 HD2 LYS 34 5.143 9.566 -6.363
308 HD3 LYS 34 HD1 LYS 34 5.468 11.293 -6.513
309 HE2 LYS 34 HE2 LYS 34 7.791 10.643 -5.530
310 HE3 LYS 34 HE1 LYS 34 7.367 9.033 -6.102
311 HZ1 LYS 34 HZ1 LYS 34 7.653 11.505 -7.705
312 HZ2 LYS 34 HZ2 LYS 34 6.927 10.104 -8.308
313 HZ3 LYS 34 HZ3 LYS 34 8.549 10.075 -7.832
314 H ASP 35 HN ASP 35 1.571 10.205 -2.534
315 HA ASP 35 HA ASP 35 -0.368 11.926 -3.759
316 HB2 ASP 35 HB2 ASP 35 -0.492 9.391 -3.572
317 HB3 ASP 35 HB1 ASP 35 -0.926 9.632 -1.884
318 H TRP 36 HN TRP 36 0.795 11.333 -0.524
319 HA TRP 36 HA TRP 36 -1.067 13.371 0.506
320 HB2 TRP 36 HB2 TRP 36 -0.102 10.819 1.588
321 HB3 TRP 36 HB1 TRP 36 0.046 12.158 2.720
322 HD1 TRP 36 HD1 TRP 36 -2.516 9.936 1.031
323 HE1 TRP 36 HE1 TRP 36 -4.821 10.355 2.096
324 HE3 TRP 36 HE3 TRP 36 -1.365 14.032 3.859
325 HZ2 TRP 36 HZ2 TRP 36 -5.985 12.186 3.892
326 HZ3 TRP 36 HZ3 TRP 36 -3.131 15.061 5.216
327 HH2 TRP 36 HH2 TRP 36 -5.400 14.154 5.233
328 H ILE 37 HN ILE 37 -0.146 15.289 0.860
329 HA ILE 37 HA ILE 37 2.732 15.536 0.968
330 HB ILE 37 HB ILE 37 0.659 17.701 1.353
331 HG12 ILE 37 HG12 ILE 37 0.346 16.645 -0.814
332 HG13 ILE 37 HG11 ILE 37 1.044 18.246 -1.018
333 HG21 ILE 37 HG21 ILE 37 3.572 17.873 0.598
334 HG22 ILE 37 HG22 ILE 37 2.888 18.293 2.169
335 HG23 ILE 37 HG23 ILE 37 2.455 19.232 0.740
336 HD11 ILE 37 HD11 ILE 37 2.107 16.741 -2.527
337 HD12 ILE 37 HD12 ILE 37 2.466 15.604 -1.230
338 HD13 ILE 37 HD13 ILE 37 3.268 17.175 -1.276
339 H SER 38 HN SER 38 2.987 14.238 2.863
340 HA SER 38 HA SER 38 3.513 13.959 5.042
341 HB2 SER 38 HB2 SER 38 3.003 16.942 5.180
342 HB3 SER 38 HB1 SER 38 3.681 15.993 6.500
343 HG SER 38 HG SER 38 5.196 17.109 5.015
344 H LYS 39 HN LYS 39 2.468 14.666 7.406
345 HA LYS 39 HA LYS 39 -0.415 14.192 7.062
346 HB2 LYS 39 HB2 LYS 39 1.511 13.040 9.072
347 HB3 LYS 39 HB1 LYS 39 -0.223 13.044 9.348
348 HG2 LYS 39 HG2 LYS 39 1.256 11.665 7.120
349 HG3 LYS 39 HG1 LYS 39 0.427 10.909 8.481
350 HD2 LYS 39 HD2 LYS 39 -0.910 12.544 6.315
351 HD3 LYS 39 HD1 LYS 39 -0.878 10.786 6.394
352 HE2 LYS 39 HE2 LYS 39 -1.901 12.270 8.759
353 HE3 LYS 39 HE1 LYS 39 -2.918 12.193 7.323
354 HZ1 LYS 39 HZ1 LYS 39 -1.780 9.839 8.726
355 HZ2 LYS 39 HZ2 LYS 39 -2.825 9.801 7.400
356 HZ3 LYS 39 HZ3 LYS 39 -3.369 10.391 8.886
357 HA PRO 40 HA PRO 40 -0.188 18.154 9.308
358 HB2 PRO 40 HB2 PRO 40 -2.850 18.536 8.141
359 HB3 PRO 40 HB1 PRO 40 -1.403 19.531 7.967
360 HG2 PRO 40 HG2 PRO 40 -2.381 18.056 5.934
361 HG3 PRO 40 HG1 PRO 40 -0.642 18.335 6.152
362 HD2 PRO 40 HD2 PRO 40 -2.276 15.923 6.874
363 HD3 PRO 40 HD1 PRO 40 -0.676 16.008 6.107
Start of MODEL 5
1 H1 MET 1 HT1 MET 1 0.760 -12.418 26.830
2 H2 MET 1 HT2 MET 1 0.772 -10.940 27.649
3 H3 MET 1 HT3 MET 1 2.158 -11.472 26.842
4 HA MET 1 HA MET 1 -0.410 -10.813 25.540
5 HB2 MET 1 HB2 MET 1 2.183 -9.257 25.668
6 HB3 MET 1 HB1 MET 1 0.820 -8.853 24.634
7 HG2 MET 1 HG2 MET 1 -0.572 -8.554 26.648
8 HG3 MET 1 HG1 MET 1 0.849 -8.865 27.643
9 HE1 MET 1 HE1 MET 1 0.450 -5.053 28.208
10 HE2 MET 1 HE2 MET 1 0.751 -6.618 28.965
11 HE3 MET 1 HE3 MET 1 -0.787 -6.309 28.160
12 H LYS 2 HN LYS 2 -0.499 -11.278 23.382
13 HA LYS 2 HA LYS 2 1.769 -12.824 22.347
14 HB2 LYS 2 HB2 LYS 2 -0.844 -13.544 22.467
15 HB3 LYS 2 HB1 LYS 2 -0.782 -12.849 20.853
16 HG2 LYS 2 HG2 LYS 2 1.275 -14.844 21.689
17 HG3 LYS 2 HG1 LYS 2 -0.332 -15.383 21.201
18 HD2 LYS 2 HD2 LYS 2 -0.080 -14.548 19.032
19 HD3 LYS 2 HD1 LYS 2 1.276 -13.513 19.488
20 HE2 LYS 2 HE2 LYS 2 1.941 -15.515 18.179
21 HE3 LYS 2 HE1 LYS 2 2.710 -15.418 19.763
22 HZ1 LYS 2 HZ1 LYS 2 0.311 -17.061 19.160
23 HZ2 LYS 2 HZ2 LYS 2 1.176 -17.035 20.611
24 HZ3 LYS 2 HZ3 LYS 2 1.892 -17.657 19.212
25 H VAL 3 HN VAL 3 -0.284 -10.067 21.685
26 HA VAL 3 HA VAL 3 0.778 -9.639 19.055
27 HB VAL 3 HB VAL 3 -1.438 -8.824 19.447
28 HG11 VAL 3 HG11 VAL 3 -0.271 -7.161 21.672
29 HG12 VAL 3 HG12 VAL 3 -1.388 -8.514 21.837
30 HG13 VAL 3 HG13 VAL 3 -1.920 -7.022 21.063
31 HG21 VAL 3 HG21 VAL 3 0.134 -7.474 18.005
32 HG22 VAL 3 HG22 VAL 3 0.301 -6.367 19.369
33 HG23 VAL 3 HG23 VAL 3 -1.276 -6.610 18.619
34 H HIS 4 HN HIS 4 2.673 -8.763 18.583
35 HA HIS 4 HA HIS 4 4.066 -7.255 20.676
36 HB2 HIS 4 HB2 HIS 4 5.067 -9.357 19.482
37 HB3 HIS 4 HB1 HIS 4 5.408 -8.223 18.179
38 HD1 HIS 4 HD1 HIS 4 7.498 -6.891 18.381
39 HD2 HIS 4 HD2 HIS 4 6.334 -8.551 22.010
40 HE1 HIS 4 HE1 HIS 4 9.346 -6.348 19.997
41 HE2 HIS 4 HE2 HIS 4 8.570 -7.266 22.210
42 H ARG 5 HN ARG 5 2.979 -7.103 17.347
43 HA ARG 5 HA ARG 5 2.999 -4.236 17.412
44 HB2 ARG 5 HB2 ARG 5 5.361 -4.788 16.792
45 HB3 ARG 5 HB1 ARG 5 4.747 -5.598 15.359
46 HG2 ARG 5 HG2 ARG 5 5.340 -3.528 14.540
47 HG3 ARG 5 HG1 ARG 5 3.617 -3.330 14.850
48 HD2 ARG 5 HD2 ARG 5 5.812 -2.490 16.740
49 HD3 ARG 5 HD1 ARG 5 4.983 -1.410 15.622
50 HE ARG 5 HE ARG 5 2.896 -2.177 16.910
51 HH11 ARG 5 HH11 ARG 5 6.077 -1.745 18.313
52 HH12 ARG 5 HH12 ARG 5 5.464 -1.408 19.901
53 HH21 ARG 5 HH21 ARG 5 2.090 -1.737 18.990
54 HH22 ARG 5 HH22 ARG 5 3.198 -1.402 20.285
55 H MET 6 HN MET 6 2.944 -6.979 15.131
56 HA MET 6 HA MET 6 0.602 -5.754 13.855
57 HB2 MET 6 HB2 MET 6 2.767 -7.561 12.898
58 HB3 MET 6 HB1 MET 6 1.177 -7.745 12.168
59 HG2 MET 6 HG2 MET 6 2.264 -6.267 10.753
60 HG3 MET 6 HG1 MET 6 1.283 -5.214 11.769
61 HE1 MET 6 HE1 MET 6 3.760 -4.251 9.966
62 HE2 MET 6 HE2 MET 6 4.532 -3.116 11.071
63 HE3 MET 6 HE3 MET 6 2.775 -3.153 10.940
64 HA PRO 7 HA PRO 7 -1.554 -9.089 15.993
65 HB2 PRO 7 HB2 PRO 7 -3.971 -7.920 16.017
66 HB3 PRO 7 HB1 PRO 7 -2.682 -7.399 17.108
67 HG2 PRO 7 HG2 PRO 7 -3.643 -6.146 14.574
68 HG3 PRO 7 HG1 PRO 7 -3.135 -5.372 16.085
69 HD2 PRO 7 HD2 PRO 7 -1.554 -5.636 13.830
70 HD3 PRO 7 HD1 PRO 7 -0.940 -5.378 15.475
71 H LYS 8 HN LYS 8 -0.992 -10.104 13.778
72 HA LYS 8 HA LYS 8 -2.961 -10.028 11.713
73 HB2 LYS 8 HB2 LYS 8 -0.653 -10.650 11.212
74 HB3 LYS 8 HB1 LYS 8 -0.770 -12.044 12.274
75 HG2 LYS 8 HG2 LYS 8 -2.477 -13.010 10.803
76 HG3 LYS 8 HG1 LYS 8 -2.320 -11.622 9.727
77 HD2 LYS 8 HD2 LYS 8 0.058 -13.304 10.445
78 HD3 LYS 8 HD1 LYS 8 -1.040 -13.782 9.150
79 HE2 LYS 8 HE2 LYS 8 -0.658 -11.554 8.100
80 HE3 LYS 8 HE1 LYS 8 0.561 -11.233 9.335
81 HZ1 LYS 8 HZ1 LYS 8 1.583 -12.048 7.320
82 HZ2 LYS 8 HZ2 LYS 8 0.622 -13.435 7.347
83 HZ3 LYS 8 HZ3 LYS 8 1.780 -13.188 8.552
84 H GLY 9 HN GLY 9 -4.884 -10.982 11.703
85 HA2 GLY 9 HA2 GLY 9 -5.340 -13.181 13.616
86 HA3 GLY 9 HA1 GLY 9 -6.579 -12.058 13.074
87 H VAL 10 HN VAL 10 -4.492 -13.051 10.597
88 HA VAL 10 HA VAL 10 -6.443 -15.069 9.716
89 HB VAL 10 HB VAL 10 -5.773 -14.427 7.357
90 HG11 VAL 10 HG11 VAL 10 -7.928 -13.807 8.153
91 HG12 VAL 10 HG12 VAL 10 -7.245 -12.395 7.346
92 HG13 VAL 10 HG13 VAL 10 -7.262 -12.483 9.109
93 HG21 VAL 10 HG21 VAL 10 -3.740 -13.205 7.833
94 HG22 VAL 10 HG22 VAL 10 -4.639 -12.025 8.790
95 HG23 VAL 10 HG23 VAL 10 -4.904 -12.137 7.050
96 H VAL 11 HN VAL 11 -5.693 -16.955 8.912
97 HA VAL 11 HA VAL 11 -2.782 -17.281 8.656
98 HB VAL 11 HB VAL 11 -3.665 -18.167 10.847
99 HG11 VAL 11 HG11 VAL 11 -4.845 -20.340 10.784
100 HG12 VAL 11 HG12 VAL 11 -5.047 -20.144 9.044
101 HG13 VAL 11 HG13 VAL 11 -5.808 -19.003 10.153
102 HG21 VAL 11 HG21 VAL 11 -1.568 -18.974 9.966
103 HG22 VAL 11 HG22 VAL 11 -2.411 -20.142 8.952
104 HG23 VAL 11 HG23 VAL 11 -2.450 -20.310 10.707
105 H LEU 12 HN LEU 12 -5.839 -17.623 7.339
106 HA LEU 12 HA LEU 12 -4.795 -19.330 5.199
107 HB2 LEU 12 HB2 LEU 12 -6.192 -20.699 6.709
108 HB3 LEU 12 HB1 LEU 12 -7.519 -19.586 6.469
109 HG LEU 12 HG LEU 12 -7.705 -20.226 4.144
110 HD11 LEU 12 HD11 LEU 12 -5.351 -22.022 4.679
111 HD12 LEU 12 HD12 LEU 12 -5.382 -20.616 3.616
112 HD13 LEU 12 HD13 LEU 12 -6.340 -22.042 3.220
113 HD21 LEU 12 HD21 LEU 12 -8.384 -22.559 4.423
114 HD22 LEU 12 HD22 LEU 12 -8.918 -21.559 5.773
115 HD23 LEU 12 HD23 LEU 12 -7.524 -22.622 5.960
116 H VAL 13 HN VAL 13 -5.360 -18.709 3.178
117 HA VAL 13 HA VAL 13 -6.062 -17.406 1.474
118 HB VAL 13 HB VAL 13 -8.457 -16.489 3.046
119 HG11 VAL 13 HG11 VAL 13 -9.537 -16.651 0.837
120 HG12 VAL 13 HG12 VAL 13 -8.004 -17.186 0.144
121 HG13 VAL 13 HG13 VAL 13 -8.146 -15.566 0.828
122 HG21 VAL 13 HG21 VAL 13 -8.712 -18.722 3.540
123 HG22 VAL 13 HG22 VAL 13 -7.887 -19.256 2.074
124 HG23 VAL 13 HG23 VAL 13 -9.532 -18.628 1.984
125 H GLY 14 HN GLY 14 -4.140 -16.295 2.882
126 HA2 GLY 14 HA2 GLY 14 -4.864 -13.438 2.862
127 HA3 GLY 14 HA1 GLY 14 -3.990 -14.102 4.237
128 H LYS 15 HN LYS 15 -3.609 -14.870 0.822
129 HA LYS 15 HA LYS 15 -0.762 -14.600 0.993
130 HB2 LYS 15 HB2 LYS 15 -2.477 -16.022 -0.598
131 HB3 LYS 15 HB1 LYS 15 -1.939 -14.754 -1.690
132 HG2 LYS 15 HG2 LYS 15 0.315 -15.404 -1.506
133 HG3 LYS 15 HG1 LYS 15 -0.019 -16.437 -0.111
134 HD2 LYS 15 HD2 LYS 15 -1.396 -17.885 -1.559
135 HD3 LYS 15 HD1 LYS 15 -0.967 -16.874 -2.942
136 HE2 LYS 15 HE2 LYS 15 1.364 -17.452 -2.688
137 HE3 LYS 15 HE1 LYS 15 1.015 -18.350 -1.212
138 HZ1 LYS 15 HZ1 LYS 15 -0.161 -19.977 -2.427
139 HZ2 LYS 15 HZ2 LYS 15 1.277 -19.716 -3.278
140 HZ3 LYS 15 HZ3 LYS 15 -0.167 -19.041 -3.837
141 H ALA 16 HN ALA 16 -3.359 -12.519 0.191
142 HA ALA 16 HA ALA 16 -2.147 -10.742 -1.599
143 HB1 ALA 16 HB1 ALA 16 -4.207 -10.141 0.520
144 HB2 ALA 16 HB2 ALA 16 -4.538 -10.724 -1.111
145 HB3 ALA 16 HB3 ALA 16 -3.827 -9.128 -0.872
146 H TRP 17 HN TRP 17 -1.820 -11.077 1.855
147 HA TRP 17 HA TRP 17 -0.569 -8.544 2.288
148 HB2 TRP 17 HB2 TRP 17 -0.809 -11.058 3.945
149 HB3 TRP 17 HB1 TRP 17 0.125 -9.668 4.490
150 HD1 TRP 17 HD1 TRP 17 -3.343 -11.020 4.433
151 HE1 TRP 17 HE1 TRP 17 -4.987 -9.273 5.373
152 HE3 TRP 17 HE3 TRP 17 -0.252 -6.936 4.479
153 HZ2 TRP 17 HZ2 TRP 17 -4.976 -6.532 6.041
154 HZ3 TRP 17 HZ3 TRP 17 -1.151 -4.785 5.288
155 HH2 TRP 17 HH2 TRP 17 -3.463 -4.594 6.050
156 H GLU 18 HN GLU 18 0.545 -11.812 1.638
157 HA GLU 18 HA GLU 18 3.287 -11.384 2.134
158 HB2 GLU 18 HB2 GLU 18 2.008 -13.327 0.203
159 HB3 GLU 18 HB1 GLU 18 3.644 -13.423 0.836
160 HG2 GLU 18 HG2 GLU 18 1.108 -13.664 2.441
161 HG3 GLU 18 HG1 GLU 18 2.164 -14.990 1.957
162 H ILE 19 HN ILE 19 1.249 -10.978 -0.704
163 HA ILE 19 HA ILE 19 3.257 -10.443 -2.592
164 HB ILE 19 HB ILE 19 0.435 -9.356 -2.512
165 HG12 ILE 19 HG12 ILE 19 1.493 -11.774 -3.984
166 HG13 ILE 19 HG11 ILE 19 0.661 -11.855 -2.437
167 HG21 ILE 19 HG21 ILE 19 2.334 -9.609 -4.845
168 HG22 ILE 19 HG22 ILE 19 1.871 -8.106 -4.047
169 HG23 ILE 19 HG23 ILE 19 0.663 -9.047 -4.920
170 HD11 ILE 19 HD11 ILE 19 -0.912 -12.373 -4.131
171 HD12 ILE 19 HD12 ILE 19 -0.457 -10.955 -5.076
172 HD13 ILE 19 HD13 ILE 19 -1.294 -10.757 -3.538
173 H ARG 20 HN ARG 20 1.383 -8.302 -0.486
174 HA ARG 20 HA ARG 20 2.425 -5.849 -1.354
175 HB2 ARG 20 HB2 ARG 20 1.266 -6.709 1.295
176 HB3 ARG 20 HB1 ARG 20 1.746 -5.050 0.968
177 HG2 ARG 20 HG2 ARG 20 0.140 -4.895 -0.820
178 HG3 ARG 20 HG1 ARG 20 -0.287 -6.595 -0.620
179 HD2 ARG 20 HD2 ARG 20 -1.219 -6.186 1.533
180 HD3 ARG 20 HD1 ARG 20 -0.578 -4.545 1.564
181 HE ARG 20 HE ARG 20 -2.147 -4.390 -0.556
182 HH11 ARG 20 HH11 ARG 20 -2.784 -5.891 2.544
183 HH12 ARG 20 HH12 ARG 20 -4.487 -5.573 2.490
184 HH21 ARG 20 HH21 ARG 20 -4.389 -3.959 -0.615
185 HH22 ARG 20 HH22 ARG 20 -5.391 -4.473 0.703
186 H ALA 21 HN ALA 21 3.509 -8.060 1.181
187 HA ALA 21 HA ALA 21 5.561 -6.443 2.226
188 HB1 ALA 21 HB1 ALA 21 4.693 -8.380 3.429
189 HB2 ALA 21 HB2 ALA 21 6.437 -8.518 3.209
190 HB3 ALA 21 HB3 ALA 21 5.343 -9.455 2.192
191 H LYS 22 HN LYS 22 5.584 -8.917 -0.315
192 HA LYS 22 HA LYS 22 8.368 -8.841 -0.779
193 HB2 LYS 22 HB2 LYS 22 6.741 -10.637 -1.528
194 HB3 LYS 22 HB1 LYS 22 6.257 -9.547 -2.821
195 HG2 LYS 22 HG2 LYS 22 8.617 -9.504 -3.591
196 HG3 LYS 22 HG1 LYS 22 8.990 -10.719 -2.370
197 HD2 LYS 22 HD2 LYS 22 8.633 -12.054 -4.201
198 HD3 LYS 22 HD1 LYS 22 7.014 -12.020 -3.499
199 HE2 LYS 22 HE2 LYS 22 6.285 -10.391 -5.078
200 HE3 LYS 22 HE1 LYS 22 7.929 -10.123 -5.655
201 HZ1 LYS 22 HZ1 LYS 22 6.375 -12.638 -5.962
202 HZ2 LYS 22 HZ2 LYS 22 7.954 -12.390 -6.506
203 HZ3 LYS 22 HZ3 LYS 22 6.682 -11.509 -7.185
204 H LEU 23 HN LEU 23 5.658 -7.149 -2.313
205 HA LEU 23 HA LEU 23 7.207 -5.840 -4.279
206 HB2 LEU 23 HB2 LEU 23 4.458 -5.611 -3.237
207 HB3 LEU 23 HB1 LEU 23 5.110 -4.151 -3.951
208 HG LEU 23 HG LEU 23 5.531 -5.333 -6.051
209 HD11 LEU 23 HD11 LEU 23 5.978 -7.552 -5.194
210 HD12 LEU 23 HD12 LEU 23 4.676 -7.604 -6.381
211 HD13 LEU 23 HD13 LEU 23 4.304 -7.707 -4.660
212 HD21 LEU 23 HD21 LEU 23 3.389 -4.234 -5.748
213 HD22 LEU 23 HD22 LEU 23 2.725 -5.691 -5.010
214 HD23 LEU 23 HD23 LEU 23 3.203 -5.701 -6.708
215 H LYS 24 HN LYS 24 6.413 -4.971 -0.961
216 HA LYS 24 HA LYS 24 7.387 -2.290 -1.200
217 HB2 LYS 24 HB2 LYS 24 5.737 -3.062 0.529
218 HB3 LYS 24 HB1 LYS 24 7.054 -3.913 1.327
219 HG2 LYS 24 HG2 LYS 24 8.231 -1.763 1.609
220 HG3 LYS 24 HG1 LYS 24 6.848 -0.939 0.888
221 HD2 LYS 24 HD2 LYS 24 6.595 -0.734 3.235
222 HD3 LYS 24 HD1 LYS 24 5.438 -1.964 2.722
223 HE2 LYS 24 HE2 LYS 24 6.913 -3.720 3.473
224 HE3 LYS 24 HE1 LYS 24 8.174 -2.550 3.853
225 HZ1 LYS 24 HZ1 LYS 24 7.095 -1.851 5.716
226 HZ2 LYS 24 HZ2 LYS 24 6.588 -3.463 5.699
227 HZ3 LYS 24 HZ3 LYS 24 5.558 -2.249 5.138
228 H GLU 25 HN GLU 25 8.762 -5.359 -0.154
229 HA GLU 25 HA GLU 25 11.206 -4.210 0.776
230 HB2 GLU 25 HB2 GLU 25 10.278 -6.379 1.571
231 HB3 GLU 25 HB1 GLU 25 10.646 -7.069 -0.003
232 HG2 GLU 25 HG2 GLU 25 12.892 -7.110 0.376
233 HG3 GLU 25 HG1 GLU 25 12.839 -5.740 1.482
234 H TYR 26 HN TYR 26 10.181 -5.771 -2.236
235 HA TYR 26 HA TYR 26 12.807 -5.648 -3.380
236 HB2 TYR 26 HB2 TYR 26 11.108 -7.360 -4.014
237 HB3 TYR 26 HB1 TYR 26 10.168 -6.089 -4.787
238 HD1 TYR 26 HD1 TYR 26 13.576 -7.605 -4.848
239 HD2 TYR 26 HD2 TYR 26 10.503 -5.647 -7.043
240 HE1 TYR 26 HE1 TYR 26 14.868 -7.909 -6.917
241 HE2 TYR 26 HE2 TYR 26 11.786 -5.948 -9.119
242 HH TYR 26 HH TYR 26 14.052 -6.311 -9.847
243 H GLY 27 HN GLY 27 9.957 -3.595 -3.427
244 HA2 GLY 27 HA2 GLY 27 11.113 -1.899 -5.500
245 HA3 GLY 27 HA1 GLY 27 9.538 -1.705 -4.750
246 H ARG 28 HN ARG 28 9.436 -0.825 -2.609
247 HA ARG 28 HA ARG 28 9.910 0.717 -1.009
248 HB2 ARG 28 HB2 ARG 28 12.027 -0.945 -0.997
249 HB3 ARG 28 HB1 ARG 28 12.841 0.556 -1.407
250 HG2 ARG 28 HG2 ARG 28 11.933 1.608 0.594
251 HG3 ARG 28 HG1 ARG 28 11.099 0.109 1.007
252 HD2 ARG 28 HD2 ARG 28 14.049 0.664 0.962
253 HD3 ARG 28 HD1 ARG 28 13.054 0.080 2.296
254 HE ARG 28 HE ARG 28 13.596 -1.554 -0.103
255 HH11 ARG 28 HH11 ARG 28 13.474 -1.176 3.375
256 HH12 ARG 28 HH12 ARG 28 13.829 -2.844 3.688
257 HH21 ARG 28 HH21 ARG 28 14.050 -3.749 0.314
258 HH22 ARG 28 HH22 ARG 28 14.154 -4.298 1.958
259 H THR 29 HN THR 29 9.775 1.474 -3.882
260 HA THR 29 HA THR 29 11.540 3.763 -4.077
261 HB THR 29 HB THR 29 11.058 2.414 -6.097
262 HG1 THR 29 HG1 THR 29 11.622 4.556 -6.464
263 HG21 THR 29 HG21 THR 29 8.253 3.516 -5.865
264 HG22 THR 29 HG22 THR 29 8.715 1.840 -5.568
265 HG23 THR 29 HG23 THR 29 8.884 2.530 -7.183
266 H PHE 30 HN PHE 30 8.522 3.085 -2.757
267 HA PHE 30 HA PHE 30 7.689 5.892 -2.957
268 HB2 PHE 30 HB2 PHE 30 5.407 5.096 -2.405
269 HB3 PHE 30 HB1 PHE 30 6.023 4.389 -3.893
270 HD1 PHE 30 HD2 PHE 30 6.908 2.019 -3.825
271 HD2 PHE 30 HD1 PHE 30 4.697 3.755 -0.627
272 HE1 PHE 30 HE2 PHE 30 6.415 -0.229 -2.950
273 HE2 PHE 30 HE1 PHE 30 4.198 1.511 0.251
274 HZ PHE 30 HZ PHE 30 5.057 -0.487 -0.912
275 H GLN 31 HN GLN 31 7.228 7.042 -1.119
276 HA GLN 31 HA GLN 31 7.880 5.706 1.425
277 HB2 GLN 31 HB2 GLN 31 8.659 8.395 0.368
278 HB3 GLN 31 HB1 GLN 31 8.542 8.139 2.102
279 HG2 GLN 31 HG2 GLN 31 10.143 6.247 1.858
280 HG3 GLN 31 HG1 GLN 31 10.351 6.719 0.170
281 HE21 GLN 31 HE21 GLN 31 11.502 8.545 -0.323
282 HE22 GLN 31 HE22 GLN 31 12.441 9.413 0.840
283 H TYR 32 HN TYR 32 5.339 6.704 -0.209
284 HA TYR 32 HA TYR 32 3.987 8.570 1.353
285 HB2 TYR 32 HB2 TYR 32 2.950 6.309 -0.355
286 HB3 TYR 32 HB1 TYR 32 1.887 7.471 0.431
287 HD1 TYR 32 HD1 TYR 32 3.397 9.991 0.053
288 HD2 TYR 32 HD2 TYR 32 2.717 6.754 -2.629
289 HE1 TYR 32 HE1 TYR 32 3.650 11.521 -1.853
290 HE2 TYR 32 HE2 TYR 32 2.972 8.279 -4.539
291 HH TYR 32 HH TYR 32 2.610 10.962 -4.811
292 H VAL 33 HN VAL 33 3.959 5.032 1.595
293 HA VAL 33 HA VAL 33 2.230 5.020 3.879
294 HB VAL 33 HB VAL 33 2.470 3.162 2.142
295 HG11 VAL 33 HG11 VAL 33 4.871 2.955 2.110
296 HG12 VAL 33 HG12 VAL 33 4.155 1.432 2.640
297 HG13 VAL 33 HG13 VAL 33 4.888 2.520 3.818
298 HG21 VAL 33 HG21 VAL 33 1.166 2.916 4.190
299 HG22 VAL 33 HG22 VAL 33 2.613 2.397 5.052
300 HG23 VAL 33 HG23 VAL 33 1.961 1.405 3.749
301 H LYS 34 HN LYS 34 5.402 5.846 3.533
302 HA LYS 34 HA LYS 34 6.304 4.714 6.064
303 HB2 LYS 34 HB2 LYS 34 7.831 4.689 4.131
304 HB3 LYS 34 HB1 LYS 34 7.751 6.439 4.043
305 HG2 LYS 34 HG2 LYS 34 8.690 6.482 6.382
306 HG3 LYS 34 HG1 LYS 34 9.005 4.757 6.187
307 HD2 LYS 34 HD2 LYS 34 10.422 5.181 4.286
308 HD3 LYS 34 HD1 LYS 34 10.014 6.896 4.319
309 HE2 LYS 34 HE2 LYS 34 10.928 6.592 6.825
310 HE3 LYS 34 HE1 LYS 34 11.876 5.351 6.009
311 HZ1 LYS 34 HZ1 LYS 34 13.068 7.418 5.988
312 HZ2 LYS 34 HZ2 LYS 34 11.755 8.230 5.301
313 HZ3 LYS 34 HZ3 LYS 34 12.586 7.063 4.409
314 H ASP 35 HN ASP 35 5.483 7.781 4.561
315 HA ASP 35 HA ASP 35 6.154 9.295 6.937
316 HB2 ASP 35 HB2 ASP 35 6.360 10.121 4.513
317 HB3 ASP 35 HB1 ASP 35 4.613 10.341 4.568
318 H TRP 36 HN TRP 36 3.271 8.123 5.306
319 HA TRP 36 HA TRP 36 1.580 9.266 7.402
320 HB2 TRP 36 HB2 TRP 36 0.915 9.527 5.005
321 HB3 TRP 36 HB1 TRP 36 0.764 7.776 4.896
322 HD1 TRP 36 HD1 TRP 36 -0.859 10.766 6.729
323 HE1 TRP 36 HE1 TRP 36 -3.286 10.134 7.313
324 HE3 TRP 36 HE3 TRP 36 -0.823 5.895 5.174
325 HZ2 TRP 36 HZ2 TRP 36 -4.962 7.876 7.127
326 HZ3 TRP 36 HZ3 TRP 36 -2.883 4.567 5.411
327 HH2 TRP 36 HH2 TRP 36 -4.907 5.537 6.369
328 H ILE 37 HN ILE 37 1.497 8.031 9.182
329 HA ILE 37 HA ILE 37 1.207 5.122 8.806
330 HB ILE 37 HB ILE 37 2.499 6.522 11.151
331 HG12 ILE 37 HG12 ILE 37 3.726 4.839 8.951
332 HG13 ILE 37 HG11 ILE 37 3.878 6.587 9.100
333 HG21 ILE 37 HG21 ILE 37 1.368 4.488 11.830
334 HG22 ILE 37 HG22 ILE 37 3.114 4.241 11.863
335 HG23 ILE 37 HG23 ILE 37 2.156 3.589 10.534
336 HD11 ILE 37 HD11 ILE 37 5.881 5.496 9.881
337 HD12 ILE 37 HD12 ILE 37 4.943 4.527 11.019
338 HD13 ILE 37 HD13 ILE 37 5.058 6.274 11.233
339 H SER 38 HN SER 38 -0.784 4.537 9.195
340 HA SER 38 HA SER 38 -2.082 5.229 11.677
341 HB2 SER 38 HB2 SER 38 -3.346 5.982 9.024
342 HB3 SER 38 HB1 SER 38 -4.169 6.009 10.585
343 HG SER 38 HG SER 38 -1.803 7.359 10.632
344 H LYS 39 HN LYS 39 -4.175 3.971 11.879
345 HA LYS 39 HA LYS 39 -3.827 1.379 10.548
346 HB2 LYS 39 HB2 LYS 39 -5.321 2.038 13.091
347 HB3 LYS 39 HB1 LYS 39 -5.095 0.431 12.414
348 HG2 LYS 39 HG2 LYS 39 -2.601 0.845 12.646
349 HG3 LYS 39 HG1 LYS 39 -3.034 2.244 13.632
350 HD2 LYS 39 HD2 LYS 39 -4.259 0.788 15.162
351 HD3 LYS 39 HD1 LYS 39 -3.846 -0.612 14.174
352 HE2 LYS 39 HE2 LYS 39 -2.314 -0.616 15.971
353 HE3 LYS 39 HE1 LYS 39 -1.421 -0.015 14.575
354 HZ1 LYS 39 HZ1 LYS 39 -1.080 1.232 16.699
355 HZ2 LYS 39 HZ2 LYS 39 -2.672 1.774 16.579
356 HZ3 LYS 39 HZ3 LYS 39 -1.546 2.184 15.384
357 HA PRO 40 HA PRO 40 -7.753 2.596 8.685
358 HB2 PRO 40 HB2 PRO 40 -7.153 1.726 6.199
359 HB3 PRO 40 HB1 PRO 40 -6.573 3.267 6.833
360 HG2 PRO 40 HG2 PRO 40 -5.077 0.815 6.275
361 HG3 PRO 40 HG1 PRO 40 -4.474 2.458 6.549
362 HD2 PRO 40 HD2 PRO 40 -4.640 0.224 8.410
363 HD3 PRO 40 HD1 PRO 40 -3.827 1.789 8.612
Start of MODEL 6
1 H1 MET 1 HT1 MET 1 -7.847 11.694 5.608
2 H2 MET 1 HT2 MET 1 -7.367 13.153 4.899
3 H3 MET 1 HT3 MET 1 -7.648 13.073 6.563
4 HA MET 1 HA MET 1 -5.552 11.527 5.180
5 HB2 MET 1 HB2 MET 1 -5.494 14.248 6.440
6 HB3 MET 1 HB1 MET 1 -4.063 13.227 6.492
7 HG2 MET 1 HG2 MET 1 -3.935 14.747 4.631
8 HG3 MET 1 HG1 MET 1 -4.077 13.091 4.049
9 HE1 MET 1 HE1 MET 1 -4.549 15.694 2.244
10 HE2 MET 1 HE2 MET 1 -5.968 15.191 1.326
11 HE3 MET 1 HE3 MET 1 -4.666 14.044 1.634
12 H LYS 2 HN LYS 2 -6.285 9.755 6.463
13 HA LYS 2 HA LYS 2 -5.347 9.947 9.239
14 HB2 LYS 2 HB2 LYS 2 -7.904 8.695 8.247
15 HB3 LYS 2 HB1 LYS 2 -7.171 8.219 9.770
16 HG2 LYS 2 HG2 LYS 2 -7.253 10.702 10.369
17 HG3 LYS 2 HG1 LYS 2 -8.362 10.854 9.007
18 HD2 LYS 2 HD2 LYS 2 -9.725 10.549 10.911
19 HD3 LYS 2 HD1 LYS 2 -9.710 8.991 10.081
20 HE2 LYS 2 HE2 LYS 2 -7.960 8.205 11.630
21 HE3 LYS 2 HE1 LYS 2 -8.026 9.755 12.468
22 HZ1 LYS 2 HZ1 LYS 2 -10.291 9.313 13.086
23 HZ2 LYS 2 HZ2 LYS 2 -9.324 8.021 13.580
24 HZ3 LYS 2 HZ3 LYS 2 -10.305 7.869 12.212
25 H VAL 3 HN VAL 3 -5.203 7.582 10.140
26 HA VAL 3 HA VAL 3 -3.448 6.173 8.309
27 HB VAL 3 HB VAL 3 -2.960 6.616 10.793
28 HG11 VAL 3 HG11 VAL 3 -4.834 4.274 11.108
29 HG12 VAL 3 HG12 VAL 3 -5.061 5.903 11.746
30 HG13 VAL 3 HG13 VAL 3 -3.754 4.890 12.360
31 HG21 VAL 3 HG21 VAL 3 -2.000 4.202 11.016
32 HG22 VAL 3 HG22 VAL 3 -1.402 5.286 9.762
33 HG23 VAL 3 HG23 VAL 3 -2.573 4.031 9.357
34 H HIS 4 HN HIS 4 -3.655 3.842 7.984
35 HA HIS 4 HA HIS 4 -6.357 3.133 7.337
36 HB2 HIS 4 HB2 HIS 4 -3.700 1.772 7.002
37 HB3 HIS 4 HB1 HIS 4 -5.207 0.937 6.637
38 HD1 HIS 4 HD1 HIS 4 -2.701 2.979 5.074
39 HD2 HIS 4 HD2 HIS 4 -6.818 2.553 4.668
40 HE1 HIS 4 HE1 HIS 4 -3.262 3.958 2.828
41 HE2 HIS 4 HE2 HIS 4 -5.743 3.596 2.558
42 H ARG 5 HN ARG 5 -7.208 0.923 7.922
43 HA ARG 5 HA ARG 5 -7.642 0.717 10.658
44 HB2 ARG 5 HB2 ARG 5 -9.120 -0.270 8.983
45 HB3 ARG 5 HB1 ARG 5 -7.879 -1.433 8.548
46 HG2 ARG 5 HG2 ARG 5 -9.263 -2.670 9.907
47 HG3 ARG 5 HG1 ARG 5 -8.019 -2.138 11.039
48 HD2 ARG 5 HD2 ARG 5 -10.516 -0.536 10.647
49 HD3 ARG 5 HD1 ARG 5 -10.517 -1.944 11.702
50 HE ARG 5 HE ARG 5 -8.429 -0.576 12.655
51 HH11 ARG 5 HH11 ARG 5 -11.643 0.487 11.790
52 HH12 ARG 5 HH12 ARG 5 -11.697 1.733 12.997
53 HH21 ARG 5 HH21 ARG 5 -8.488 1.056 14.265
54 HH22 ARG 5 HH22 ARG 5 -9.908 2.044 14.424
55 H MET 6 HN MET 6 -5.590 -1.415 8.650
56 HA MET 6 HA MET 6 -4.030 -1.961 11.084
57 HB2 MET 6 HB2 MET 6 -5.558 -3.862 10.236
58 HB3 MET 6 HB1 MET 6 -4.408 -4.010 8.914
59 HG2 MET 6 HG2 MET 6 -2.618 -4.448 10.483
60 HG3 MET 6 HG1 MET 6 -3.732 -4.249 11.836
61 HE1 MET 6 HE1 MET 6 -5.868 -5.740 12.158
62 HE2 MET 6 HE2 MET 6 -6.128 -7.303 11.382
63 HE3 MET 6 HE3 MET 6 -6.378 -5.813 10.473
64 HA PRO 7 HA PRO 7 -1.152 -0.197 7.966
65 HB2 PRO 7 HB2 PRO 7 0.320 0.548 10.405
66 HB3 PRO 7 HB1 PRO 7 -0.226 1.571 9.072
67 HG2 PRO 7 HG2 PRO 7 -1.374 1.675 11.497
68 HG3 PRO 7 HG1 PRO 7 -2.306 1.904 10.008
69 HD2 PRO 7 HD2 PRO 7 -2.104 -0.516 11.760
70 HD3 PRO 7 HD1 PRO 7 -3.527 0.173 10.950
71 H LYS 8 HN LYS 8 -0.610 -2.088 10.851
72 HA LYS 8 HA LYS 8 1.458 -3.604 9.440
73 HB2 LYS 8 HB2 LYS 8 2.316 -1.880 11.227
74 HB3 LYS 8 HB1 LYS 8 1.751 -3.080 12.380
75 HG2 LYS 8 HG2 LYS 8 3.553 -3.929 10.161
76 HG3 LYS 8 HG1 LYS 8 4.225 -3.084 11.556
77 HD2 LYS 8 HD2 LYS 8 3.453 -4.763 13.047
78 HD3 LYS 8 HD1 LYS 8 2.479 -5.523 11.790
79 HE2 LYS 8 HE2 LYS 8 5.450 -5.275 11.494
80 HE3 LYS 8 HE1 LYS 8 4.744 -6.589 12.431
81 HZ1 LYS 8 HZ1 LYS 8 3.455 -7.219 10.469
82 HZ2 LYS 8 HZ2 LYS 8 5.118 -7.284 10.172
83 HZ3 LYS 8 HZ3 LYS 8 4.207 -5.995 9.572
84 H GLY 9 HN GLY 9 0.694 -5.593 9.257
85 HA2 GLY 9 HA2 GLY 9 -1.301 -6.573 11.131
86 HA3 GLY 9 HA1 GLY 9 -0.787 -7.360 9.645
87 H VAL 10 HN VAL 10 -1.082 -8.392 12.426
88 HA VAL 10 HA VAL 10 1.708 -9.145 12.973
89 HB VAL 10 HB VAL 10 0.900 -9.995 15.144
90 HG11 VAL 10 HG11 VAL 10 0.387 -7.819 16.165
91 HG12 VAL 10 HG12 VAL 10 0.112 -7.145 14.560
92 HG13 VAL 10 HG13 VAL 10 1.719 -7.717 15.011
93 HG21 VAL 10 HG21 VAL 10 -1.403 -10.535 14.394
94 HG22 VAL 10 HG22 VAL 10 -1.763 -8.808 14.391
95 HG23 VAL 10 HG23 VAL 10 -1.348 -9.619 15.900
96 H VAL 11 HN VAL 11 -0.475 -10.141 10.995
97 HA VAL 11 HA VAL 11 0.309 -12.927 11.183
98 HB VAL 11 HB VAL 11 -1.822 -12.820 12.438
99 HG11 VAL 11 HG11 VAL 11 -3.916 -12.326 11.268
100 HG12 VAL 11 HG12 VAL 11 -3.000 -11.850 9.837
101 HG13 VAL 11 HG13 VAL 11 -2.849 -10.922 11.328
102 HG21 VAL 11 HG21 VAL 11 -2.048 -14.238 9.785
103 HG22 VAL 11 HG22 VAL 11 -2.979 -14.604 11.236
104 HG23 VAL 11 HG23 VAL 11 -1.234 -14.853 11.224
105 H LEU 12 HN LEU 12 0.445 -13.903 9.182
106 HA LEU 12 HA LEU 12 -0.478 -12.345 6.867
107 HB2 LEU 12 HB2 LEU 12 2.251 -13.538 7.309
108 HB3 LEU 12 HB1 LEU 12 1.653 -13.143 5.709
109 HG LEU 12 HG LEU 12 1.269 -10.766 6.869
110 HD11 LEU 12 HD11 LEU 12 2.038 -11.382 9.061
111 HD12 LEU 12 HD12 LEU 12 3.207 -10.279 8.335
112 HD13 LEU 12 HD13 LEU 12 3.549 -12.006 8.398
113 HD21 LEU 12 HD21 LEU 12 3.439 -10.089 5.944
114 HD22 LEU 12 HD22 LEU 12 2.561 -11.160 4.850
115 HD23 LEU 12 HD23 LEU 12 3.900 -11.785 5.812
116 H VAL 13 HN VAL 13 -2.178 -14.085 7.360
117 HA VAL 13 HA VAL 13 -1.437 -16.683 6.237
118 HB VAL 13 HB VAL 13 -3.771 -17.349 6.958
119 HG11 VAL 13 HG11 VAL 13 -3.145 -17.616 9.284
120 HG12 VAL 13 HG12 VAL 13 -1.916 -16.364 9.120
121 HG13 VAL 13 HG13 VAL 13 -1.748 -17.887 8.246
122 HG21 VAL 13 HG21 VAL 13 -4.870 -15.941 8.631
123 HG22 VAL 13 HG22 VAL 13 -4.756 -15.119 7.075
124 HG23 VAL 13 HG23 VAL 13 -3.652 -14.692 8.382
125 H GLY 14 HN GLY 14 -1.597 -14.391 4.518
126 HA2 GLY 14 HA2 GLY 14 -3.556 -15.436 2.634
127 HA3 GLY 14 HA1 GLY 14 -3.764 -13.758 3.111
128 H LYS 15 HN LYS 15 -3.236 -14.720 0.481
129 HA LYS 15 HA LYS 15 -0.509 -14.464 -0.215
130 HB2 LYS 15 HB2 LYS 15 -3.017 -14.150 -1.869
131 HB3 LYS 15 HB1 LYS 15 -1.391 -14.157 -2.540
132 HG2 LYS 15 HG2 LYS 15 -1.054 -16.432 -1.723
133 HG3 LYS 15 HG1 LYS 15 -2.675 -16.422 -1.021
134 HD2 LYS 15 HD2 LYS 15 -3.654 -16.152 -3.226
135 HD3 LYS 15 HD1 LYS 15 -2.047 -16.064 -3.952
136 HE2 LYS 15 HE2 LYS 15 -1.598 -18.354 -3.204
137 HE3 LYS 15 HE1 LYS 15 -3.212 -18.436 -2.495
138 HZ1 LYS 15 HZ1 LYS 15 -2.980 -19.461 -4.741
139 HZ2 LYS 15 HZ2 LYS 15 -2.723 -17.911 -5.373
140 HZ3 LYS 15 HZ3 LYS 15 -4.191 -18.290 -4.624
141 H ALA 16 HN ALA 16 -3.171 -12.156 -0.075
142 HA ALA 16 HA ALA 16 -1.919 -10.011 -1.365
143 HB1 ALA 16 HB1 ALA 16 -3.893 -9.697 0.871
144 HB2 ALA 16 HB2 ALA 16 -4.358 -10.249 -0.737
145 HB3 ALA 16 HB3 ALA 16 -3.639 -8.652 -0.525
146 H TRP 17 HN TRP 17 -1.766 -11.114 1.969
147 HA TRP 17 HA TRP 17 -0.499 -8.821 3.032
148 HB2 TRP 17 HB2 TRP 17 -0.397 -11.696 3.974
149 HB3 TRP 17 HB1 TRP 17 0.140 -10.309 4.909
150 HD1 TRP 17 HD1 TRP 17 -2.992 -12.145 3.806
151 HE1 TRP 17 HE1 TRP 17 -5.001 -11.257 5.145
152 HE3 TRP 17 HE3 TRP 17 -0.720 -8.186 6.111
153 HZ2 TRP 17 HZ2 TRP 17 -5.542 -9.143 6.940
154 HZ3 TRP 17 HZ3 TRP 17 -2.054 -6.782 7.627
155 HH2 TRP 17 HH2 TRP 17 -4.416 -7.254 8.032
156 H GLU 18 HN GLU 18 0.763 -11.921 1.852
157 HA GLU 18 HA GLU 18 3.483 -11.226 2.327
158 HB2 GLU 18 HB2 GLU 18 2.476 -13.567 2.154
159 HB3 GLU 18 HB1 GLU 18 2.550 -13.348 0.410
160 HG2 GLU 18 HG2 GLU 18 5.078 -12.628 1.293
161 HG3 GLU 18 HG1 GLU 18 4.644 -14.016 2.290
162 H ILE 19 HN ILE 19 1.393 -11.124 -0.539
163 HA ILE 19 HA ILE 19 3.488 -10.563 -2.352
164 HB ILE 19 HB ILE 19 1.171 -11.353 -2.998
165 HG12 ILE 19 HG12 ILE 19 2.233 -8.951 -4.502
166 HG13 ILE 19 HG11 ILE 19 2.921 -10.570 -4.596
167 HG21 ILE 19 HG21 ILE 19 0.477 -8.425 -2.924
168 HG22 ILE 19 HG22 ILE 19 -0.033 -9.587 -1.700
169 HG23 ILE 19 HG23 ILE 19 -0.570 -9.771 -3.370
170 HD11 ILE 19 HD11 ILE 19 0.831 -11.401 -5.525
171 HD12 ILE 19 HD12 ILE 19 1.497 -10.093 -6.502
172 HD13 ILE 19 HD13 ILE 19 0.136 -9.784 -5.423
173 H ARG 20 HN ARG 20 1.441 -8.426 -0.391
174 HA ARG 20 HA ARG 20 2.437 -6.052 -1.628
175 HB2 ARG 20 HB2 ARG 20 0.271 -6.356 -0.204
176 HB3 ARG 20 HB1 ARG 20 1.341 -6.072 1.166
177 HG2 ARG 20 HG2 ARG 20 1.964 -3.916 0.312
178 HG3 ARG 20 HG1 ARG 20 1.070 -4.205 -1.181
179 HD2 ARG 20 HD2 ARG 20 -0.991 -4.451 0.319
180 HD3 ARG 20 HD1 ARG 20 -0.000 -3.725 1.587
181 HE ARG 20 HE ARG 20 -0.038 -2.232 -0.883
182 HH11 ARG 20 HH11 ARG 20 -1.661 -2.725 2.197
183 HH12 ARG 20 HH12 ARG 20 -2.420 -1.164 2.177
184 HH21 ARG 20 HH21 ARG 20 -1.046 -0.180 -0.882
185 HH22 ARG 20 HH22 ARG 20 -2.053 0.284 0.453
186 H ALA 21 HN ALA 21 3.334 -7.942 1.214
187 HA ALA 21 HA ALA 21 5.274 -6.117 2.187
188 HB1 ALA 21 HB1 ALA 21 4.273 -7.934 3.543
189 HB2 ALA 21 HB2 ALA 21 6.037 -7.926 3.590
190 HB3 ALA 21 HB3 ALA 21 5.185 -9.104 2.589
191 H LYS 22 HN LYS 22 5.404 -8.868 -0.003
192 HA LYS 22 HA LYS 22 8.213 -8.910 -0.335
193 HB2 LYS 22 HB2 LYS 22 6.480 -10.720 -0.908
194 HB3 LYS 22 HB1 LYS 22 6.213 -9.820 -2.393
195 HG2 LYS 22 HG2 LYS 22 8.266 -10.361 -3.255
196 HG3 LYS 22 HG1 LYS 22 8.989 -10.611 -1.664
197 HD2 LYS 22 HD2 LYS 22 8.721 -12.740 -2.790
198 HD3 LYS 22 HD1 LYS 22 7.643 -12.658 -1.396
199 HE2 LYS 22 HE2 LYS 22 5.881 -11.833 -3.096
200 HE3 LYS 22 HE1 LYS 22 6.975 -12.482 -4.317
201 HZ1 LYS 22 HZ1 LYS 22 5.431 -14.167 -3.802
202 HZ2 LYS 22 HZ2 LYS 22 5.615 -13.961 -2.133
203 HZ3 LYS 22 HZ3 LYS 22 6.879 -14.622 -3.053
204 H LEU 23 HN LEU 23 5.584 -7.445 -2.220
205 HA LEU 23 HA LEU 23 7.220 -6.361 -4.245
206 HB2 LEU 23 HB2 LEU 23 4.430 -6.046 -3.381
207 HB3 LEU 23 HB1 LEU 23 5.116 -4.607 -4.104
208 HG LEU 23 HG LEU 23 5.644 -5.842 -6.141
209 HD11 LEU 23 HD11 LEU 23 4.481 -8.193 -4.661
210 HD12 LEU 23 HD12 LEU 23 6.110 -8.029 -5.315
211 HD13 LEU 23 HD13 LEU 23 4.732 -8.155 -6.407
212 HD21 LEU 23 HD21 LEU 23 3.489 -4.776 -6.027
213 HD22 LEU 23 HD22 LEU 23 2.801 -6.171 -5.193
214 HD23 LEU 23 HD23 LEU 23 3.331 -6.318 -6.868
215 H LYS 24 HN LYS 24 6.195 -5.118 -1.117
216 HA LYS 24 HA LYS 24 7.274 -2.506 -1.500
217 HB2 LYS 24 HB2 LYS 24 5.460 -3.061 0.122
218 HB3 LYS 24 HB1 LYS 24 6.641 -3.925 1.093
219 HG2 LYS 24 HG2 LYS 24 7.896 -1.834 1.394
220 HG3 LYS 24 HG1 LYS 24 6.660 -0.978 0.472
221 HD2 LYS 24 HD2 LYS 24 4.985 -1.566 2.129
222 HD3 LYS 24 HD1 LYS 24 6.183 -2.497 3.035
223 HE2 LYS 24 HE2 LYS 24 7.470 -0.476 3.439
224 HE3 LYS 24 HE1 LYS 24 6.332 0.468 2.483
225 HZ1 LYS 24 HZ1 LYS 24 5.879 0.730 4.818
226 HZ2 LYS 24 HZ2 LYS 24 5.727 -0.943 5.022
227 HZ3 LYS 24 HZ3 LYS 24 4.600 -0.098 4.082
228 H GLU 25 HN GLU 25 8.619 -5.557 -0.646
229 HA GLU 25 HA GLU 25 10.905 -4.455 0.715
230 HB2 GLU 25 HB2 GLU 25 9.772 -7.017 0.509
231 HB3 GLU 25 HB1 GLU 25 11.347 -7.139 -0.263
232 HG2 GLU 25 HG2 GLU 25 12.158 -5.881 1.876
233 HG3 GLU 25 HG1 GLU 25 10.663 -6.516 2.562
234 H TYR 26 HN TYR 26 10.174 -5.668 -2.512
235 HA TYR 26 HA TYR 26 12.910 -5.208 -3.390
236 HB2 TYR 26 HB2 TYR 26 10.451 -6.232 -4.817
237 HB3 TYR 26 HB1 TYR 26 11.987 -5.949 -5.630
238 HD1 TYR 26 HD1 TYR 26 14.032 -7.219 -4.807
239 HD2 TYR 26 HD2 TYR 26 10.067 -8.234 -3.652
240 HE1 TYR 26 HE1 TYR 26 14.806 -9.457 -4.144
241 HE2 TYR 26 HE2 TYR 26 10.830 -10.474 -2.984
242 HH TYR 26 HH TYR 26 14.142 -11.279 -2.693
243 H GLY 27 HN GLY 27 9.748 -3.720 -3.706
244 HA2 GLY 27 HA2 GLY 27 10.909 -1.633 -5.426
245 HA3 GLY 27 HA1 GLY 27 9.192 -1.929 -5.190
246 H ARG 28 HN ARG 28 11.972 -1.330 -3.066
247 HA ARG 28 HA ARG 28 10.478 0.047 -1.118
248 HB2 ARG 28 HB2 ARG 28 12.915 -1.032 -1.126
249 HB3 ARG 28 HB1 ARG 28 13.375 0.638 -1.426
250 HG2 ARG 28 HG2 ARG 28 13.427 0.053 0.961
251 HG3 ARG 28 HG1 ARG 28 12.286 1.354 0.604
252 HD2 ARG 28 HD2 ARG 28 10.430 -0.067 0.836
253 HD3 ARG 28 HD1 ARG 28 11.423 -1.518 0.742
254 HE ARG 28 HE ARG 28 11.980 0.180 3.008
255 HH11 ARG 28 HH11 ARG 28 10.073 -2.471 1.754
256 HH12 ARG 28 HH12 ARG 28 9.723 -3.137 3.319
257 HH21 ARG 28 HH21 ARG 28 11.503 -0.666 5.081
258 HH22 ARG 28 HH22 ARG 28 10.548 -2.109 5.216
259 H THR 29 HN THR 29 12.396 1.201 -3.854
260 HA THR 29 HA THR 29 11.141 3.834 -3.497
261 HB THR 29 HB THR 29 13.825 3.904 -4.687
262 HG1 THR 29 HG1 THR 29 13.537 3.378 -1.891
263 HG21 THR 29 HG21 THR 29 14.025 5.868 -3.205
264 HG22 THR 29 HG22 THR 29 12.473 5.458 -2.473
265 HG23 THR 29 HG23 THR 29 12.552 5.921 -4.171
266 H PHE 30 HN PHE 30 11.004 1.308 -5.341
267 HA PHE 30 HA PHE 30 11.744 2.077 -7.933
268 HB2 PHE 30 HB2 PHE 30 10.069 -0.033 -6.734
269 HB3 PHE 30 HB1 PHE 30 9.631 0.415 -8.380
270 HD1 PHE 30 HD2 PHE 30 12.675 -0.374 -6.371
271 HD2 PHE 30 HD1 PHE 30 10.662 -0.687 -10.110
272 HE1 PHE 30 HE2 PHE 30 14.513 -1.758 -7.245
273 HE2 PHE 30 HE1 PHE 30 12.493 -2.073 -10.987
274 HZ PHE 30 HZ PHE 30 14.425 -2.611 -9.552
275 H GLN 31 HN GLN 31 11.126 3.894 -8.817
276 HA GLN 31 HA GLN 31 9.852 5.475 -9.810
277 HB2 GLN 31 HB2 GLN 31 7.626 3.493 -9.331
278 HB3 GLN 31 HB1 GLN 31 7.438 4.985 -10.246
279 HG2 GLN 31 HG2 GLN 31 9.308 2.730 -10.921
280 HG3 GLN 31 HG1 GLN 31 7.767 3.061 -11.698
281 HE21 GLN 31 HE21 GLN 31 11.071 3.945 -11.411
282 HE22 GLN 31 HE22 GLN 31 11.105 5.082 -12.716
283 H TYR 32 HN TYR 32 9.953 4.951 -6.709
284 HA TYR 32 HA TYR 32 7.685 6.321 -5.669
285 HB2 TYR 32 HB2 TYR 32 9.602 4.798 -4.538
286 HB3 TYR 32 HB1 TYR 32 10.222 6.396 -4.139
287 HD1 TYR 32 HD2 TYR 32 8.983 7.868 -2.620
288 HD2 TYR 32 HD1 TYR 32 7.551 3.968 -3.558
289 HE1 TYR 32 HE2 TYR 32 7.424 7.987 -0.723
290 HE2 TYR 32 HE1 TYR 32 5.992 4.079 -1.659
291 HH TYR 32 HH TYR 32 5.907 5.366 0.579
292 H VAL 33 HN VAL 33 10.799 7.301 -6.891
293 HA VAL 33 HA VAL 33 10.837 9.929 -5.844
294 HB VAL 33 HB VAL 33 12.104 9.043 -8.439
295 HG11 VAL 33 HG11 VAL 33 12.847 11.190 -6.454
296 HG12 VAL 33 HG12 VAL 33 12.146 11.436 -8.053
297 HG13 VAL 33 HG13 VAL 33 13.767 10.764 -7.897
298 HG21 VAL 33 HG21 VAL 33 13.189 8.766 -5.639
299 HG22 VAL 33 HG22 VAL 33 14.085 8.450 -7.125
300 HG23 VAL 33 HG23 VAL 33 12.696 7.450 -6.703
301 H LYS 34 HN LYS 34 9.779 8.608 -8.963
302 HA LYS 34 HA LYS 34 8.918 11.092 -10.029
303 HB2 LYS 34 HB2 LYS 34 8.158 8.267 -10.793
304 HB3 LYS 34 HB1 LYS 34 7.759 9.701 -11.732
305 HG2 LYS 34 HG2 LYS 34 10.096 10.145 -12.131
306 HG3 LYS 34 HG1 LYS 34 10.561 8.810 -11.077
307 HD2 LYS 34 HD2 LYS 34 10.754 7.895 -13.205
308 HD3 LYS 34 HD1 LYS 34 9.160 7.350 -12.679
309 HE2 LYS 34 HE2 LYS 34 8.183 9.307 -13.890
310 HE3 LYS 34 HE1 LYS 34 9.790 9.644 -14.529
311 HZ1 LYS 34 HZ1 LYS 34 8.181 7.189 -14.982
312 HZ2 LYS 34 HZ2 LYS 34 9.770 7.410 -15.524
313 HZ3 LYS 34 HZ3 LYS 34 8.532 8.396 -16.113
314 H ASP 35 HN ASP 35 7.502 8.797 -7.885
315 HA ASP 35 HA ASP 35 4.774 9.541 -8.269
316 HB2 ASP 35 HB2 ASP 35 5.598 7.380 -7.233
317 HB3 ASP 35 HB1 ASP 35 5.991 8.309 -5.792
318 H TRP 36 HN TRP 36 7.434 10.893 -6.603
319 HA TRP 36 HA TRP 36 5.765 12.587 -4.919
320 HB2 TRP 36 HB2 TRP 36 8.666 11.917 -5.044
321 HB3 TRP 36 HB1 TRP 36 8.214 13.481 -4.376
322 HD1 TRP 36 HD1 TRP 36 6.618 9.973 -3.837
323 HE1 TRP 36 HE1 TRP 36 6.476 9.559 -1.303
324 HE3 TRP 36 HE3 TRP 36 8.847 14.269 -2.177
325 HZ2 TRP 36 HZ2 TRP 36 7.202 10.871 1.074
326 HZ3 TRP 36 HZ3 TRP 36 9.077 14.608 0.248
327 HH2 TRP 36 HH2 TRP 36 8.271 12.941 1.837
328 H ILE 37 HN ILE 37 8.190 12.921 -7.500
329 HA ILE 37 HA ILE 37 7.444 15.734 -7.788
330 HB ILE 37 HB ILE 37 9.345 15.814 -9.439
331 HG12 ILE 37 HG12 ILE 37 10.163 13.153 -8.278
332 HG13 ILE 37 HG11 ILE 37 9.268 13.271 -9.790
333 HG21 ILE 37 HG21 ILE 37 9.619 16.596 -7.169
334 HG22 ILE 37 HG22 ILE 37 11.089 15.781 -7.700
335 HG23 ILE 37 HG23 ILE 37 9.968 14.959 -6.614
336 HD11 ILE 37 HD11 ILE 37 11.049 14.504 -10.809
337 HD12 ILE 37 HD12 ILE 37 11.710 13.040 -10.081
338 HD13 ILE 37 HD13 ILE 37 11.918 14.597 -9.277
339 H SER 38 HN SER 38 5.359 14.256 -8.507
340 HA SER 38 HA SER 38 5.398 13.548 -11.284
341 HB2 SER 38 HB2 SER 38 2.936 14.012 -9.611
342 HB3 SER 38 HB1 SER 38 3.129 12.926 -10.988
343 HG SER 38 HG SER 38 4.838 11.945 -9.479
344 H LYS 39 HN LYS 39 6.189 15.552 -12.161
345 HA LYS 39 HA LYS 39 4.060 17.259 -13.057
346 HB2 LYS 39 HB2 LYS 39 4.842 18.141 -10.748
347 HB3 LYS 39 HB1 LYS 39 6.287 18.663 -11.603
348 HG2 LYS 39 HG2 LYS 39 4.990 20.085 -13.039
349 HG3 LYS 39 HG1 LYS 39 3.488 19.471 -12.347
350 HD2 LYS 39 HD2 LYS 39 3.915 21.581 -11.335
351 HD3 LYS 39 HD1 LYS 39 4.256 20.341 -10.126
352 HE2 LYS 39 HE2 LYS 39 6.658 20.504 -10.710
353 HE3 LYS 39 HE1 LYS 39 6.274 21.830 -11.805
354 HZ1 LYS 39 HZ1 LYS 39 6.891 22.913 -9.883
355 HZ2 LYS 39 HZ2 LYS 39 6.178 21.770 -8.866
356 HZ3 LYS 39 HZ3 LYS 39 5.210 22.863 -9.711
357 HA PRO 40 HA PRO 40 7.603 16.960 -15.943
358 HB2 PRO 40 HB2 PRO 40 6.218 15.495 -17.853
359 HB3 PRO 40 HB1 PRO 40 7.270 14.820 -16.609
360 HG2 PRO 40 HG2 PRO 40 4.442 14.531 -16.844
361 HG3 PRO 40 HG1 PRO 40 5.489 13.922 -15.555
362 HD2 PRO 40 HD2 PRO 40 3.781 16.340 -15.614
363 HD3 PRO 40 HD1 PRO 40 4.338 15.379 -14.227
Start of MODEL 7
1 H1 MET 1 HT1 MET 1 -11.464 7.190 -13.003
2 H2 MET 1 HT2 MET 1 -12.941 7.960 -12.715
3 H3 MET 1 HT3 MET 1 -12.887 6.284 -12.919
4 HA MET 1 HA MET 1 -11.550 6.076 -10.916
5 HB2 MET 1 HB2 MET 1 -11.215 7.952 -9.451
6 HB3 MET 1 HB1 MET 1 -10.613 8.395 -11.042
7 HG2 MET 1 HG2 MET 1 -13.307 9.184 -9.954
8 HG3 MET 1 HG1 MET 1 -11.865 10.196 -9.888
9 HE1 MET 1 HE1 MET 1 -10.782 11.377 -11.876
10 HE2 MET 1 HE2 MET 1 -11.223 11.137 -13.569
11 HE3 MET 1 HE3 MET 1 -10.452 9.836 -12.666
12 H LYS 2 HN LYS 2 -12.609 5.505 -9.036
13 HA LYS 2 HA LYS 2 -15.398 6.330 -8.729
14 HB2 LYS 2 HB2 LYS 2 -14.442 3.629 -9.446
15 HB3 LYS 2 HB1 LYS 2 -15.617 3.685 -8.142
16 HG2 LYS 2 HG2 LYS 2 -16.094 5.076 -10.758
17 HG3 LYS 2 HG1 LYS 2 -16.488 3.373 -10.518
18 HD2 LYS 2 HD2 LYS 2 -17.525 5.620 -8.790
19 HD3 LYS 2 HD1 LYS 2 -18.405 4.917 -10.149
20 HE2 LYS 2 HE2 LYS 2 -18.180 2.690 -9.000
21 HE3 LYS 2 HE1 LYS 2 -17.558 3.557 -7.598
22 HZ1 LYS 2 HZ1 LYS 2 -19.632 4.791 -7.492
23 HZ2 LYS 2 HZ2 LYS 2 -19.917 3.129 -7.389
24 HZ3 LYS 2 HZ3 LYS 2 -20.227 3.950 -8.833
25 H VAL 3 HN VAL 3 -13.052 4.027 -7.384
26 HA VAL 3 HA VAL 3 -12.990 5.433 -4.871
27 HB VAL 3 HB VAL 3 -14.922 4.201 -4.325
28 HG11 VAL 3 HG11 VAL 3 -14.978 2.671 -6.196
29 HG12 VAL 3 HG12 VAL 3 -15.176 1.787 -4.683
30 HG13 VAL 3 HG13 VAL 3 -13.626 1.759 -5.523
31 HG21 VAL 3 HG21 VAL 3 -12.538 2.663 -3.303
32 HG22 VAL 3 HG22 VAL 3 -14.166 2.571 -2.627
33 HG23 VAL 3 HG23 VAL 3 -13.272 4.090 -2.572
34 H HIS 4 HN HIS 4 -10.877 5.508 -4.503
35 HA HIS 4 HA HIS 4 -9.351 3.023 -4.549
36 HB2 HIS 4 HB2 HIS 4 -9.229 4.442 -6.779
37 HB3 HIS 4 HB1 HIS 4 -8.094 5.409 -5.845
38 HD1 HIS 4 HD1 HIS 4 -6.285 4.580 -7.615
39 HD2 HIS 4 HD2 HIS 4 -7.875 1.632 -5.155
40 HE1 HIS 4 HE1 HIS 4 -4.740 2.610 -7.833
41 HE2 HIS 4 HE2 HIS 4 -5.838 0.784 -6.501
42 H ARG 5 HN ARG 5 -10.380 4.954 -2.551
43 HA ARG 5 HA ARG 5 -7.822 5.848 -1.403
44 HB2 ARG 5 HB2 ARG 5 -10.592 6.991 -1.212
45 HB3 ARG 5 HB1 ARG 5 -9.389 7.339 0.022
46 HG2 ARG 5 HG2 ARG 5 -8.221 8.716 -1.312
47 HG3 ARG 5 HG1 ARG 5 -8.509 7.742 -2.754
48 HD2 ARG 5 HD2 ARG 5 -9.585 10.038 -2.703
49 HD3 ARG 5 HD1 ARG 5 -10.642 8.681 -3.091
50 HE ARG 5 HE ARG 5 -10.639 9.266 -0.300
51 HH11 ARG 5 HH11 ARG 5 -11.959 10.273 -3.373
52 HH12 ARG 5 HH12 ARG 5 -13.388 10.971 -2.680
53 HH21 ARG 5 HH21 ARG 5 -12.533 10.159 0.624
54 HH22 ARG 5 HH22 ARG 5 -13.718 10.902 -0.403
55 H MET 6 HN MET 6 -10.899 5.562 0.290
56 HA MET 6 HA MET 6 -9.713 3.409 1.915
57 HB2 MET 6 HB2 MET 6 -11.246 5.846 2.697
58 HB3 MET 6 HB1 MET 6 -11.437 4.390 3.662
59 HG2 MET 6 HG2 MET 6 -8.839 5.796 3.084
60 HG3 MET 6 HG1 MET 6 -9.751 5.883 4.591
61 HE1 MET 6 HE1 MET 6 -6.921 5.344 4.875
62 HE2 MET 6 HE2 MET 6 -6.648 3.783 5.648
63 HE3 MET 6 HE3 MET 6 -7.851 4.897 6.302
64 HA PRO 7 HA PRO 7 -13.598 1.698 0.244
65 HB2 PRO 7 HB2 PRO 7 -12.596 -0.536 -0.829
66 HB3 PRO 7 HB1 PRO 7 -12.443 1.023 -1.647
67 HG2 PRO 7 HG2 PRO 7 -10.408 -0.541 -0.154
68 HG3 PRO 7 HG1 PRO 7 -10.204 0.529 -1.549
69 HD2 PRO 7 HD2 PRO 7 -9.722 1.166 1.161
70 HD3 PRO 7 HD1 PRO 7 -9.762 2.296 -0.204
71 H LYS 8 HN LYS 8 -14.867 -0.024 0.997
72 HA LYS 8 HA LYS 8 -13.881 -1.227 3.472
73 HB2 LYS 8 HB2 LYS 8 -16.083 0.085 3.319
74 HB3 LYS 8 HB1 LYS 8 -16.720 -1.305 2.458
75 HG2 LYS 8 HG2 LYS 8 -17.263 -1.241 4.886
76 HG3 LYS 8 HG1 LYS 8 -16.446 -2.711 4.352
77 HD2 LYS 8 HD2 LYS 8 -15.580 -1.867 6.508
78 HD3 LYS 8 HD1 LYS 8 -14.341 -1.904 5.257
79 HE2 LYS 8 HE2 LYS 8 -14.077 0.147 6.401
80 HE3 LYS 8 HE1 LYS 8 -14.835 0.536 4.860
81 HZ1 LYS 8 HZ1 LYS 8 -16.148 0.384 7.518
82 HZ2 LYS 8 HZ2 LYS 8 -16.998 0.533 6.069
83 HZ3 LYS 8 HZ3 LYS 8 -15.940 1.757 6.552
84 H GLY 9 HN GLY 9 -12.567 -2.503 1.770
85 HA2 GLY 9 HA2 GLY 9 -14.044 -4.703 0.558
86 HA3 GLY 9 HA1 GLY 9 -12.324 -4.375 0.388
87 H VAL 10 HN VAL 10 -14.769 -5.572 2.636
88 HA VAL 10 HA VAL 10 -12.784 -6.711 4.397
89 HB VAL 10 HB VAL 10 -15.702 -7.414 4.488
90 HG11 VAL 10 HG11 VAL 10 -14.258 -8.604 6.005
91 HG12 VAL 10 HG12 VAL 10 -15.254 -7.472 6.916
92 HG13 VAL 10 HG13 VAL 10 -13.565 -7.092 6.590
93 HG21 VAL 10 HG21 VAL 10 -14.473 -4.869 5.551
94 HG22 VAL 10 HG22 VAL 10 -16.108 -5.437 5.889
95 HG23 VAL 10 HG23 VAL 10 -15.650 -4.995 4.244
96 H VAL 11 HN VAL 11 -11.902 -7.835 2.388
97 HA VAL 11 HA VAL 11 -13.177 -10.482 2.122
98 HB VAL 11 HB VAL 11 -12.056 -10.638 -0.103
99 HG11 VAL 11 HG11 VAL 11 -14.411 -10.055 0.071
100 HG12 VAL 11 HG12 VAL 11 -13.655 -9.200 -1.273
101 HG13 VAL 11 HG13 VAL 11 -13.991 -8.350 0.235
102 HG21 VAL 11 HG21 VAL 11 -11.257 -8.586 -1.174
103 HG22 VAL 11 HG22 VAL 11 -10.301 -8.976 0.254
104 HG23 VAL 11 HG23 VAL 11 -11.513 -7.699 0.330
105 H LEU 12 HN LEU 12 -11.025 -9.264 3.911
106 HA LEU 12 HA LEU 12 -9.172 -9.975 4.996
107 HB2 LEU 12 HB2 LEU 12 -9.388 -12.502 3.363
108 HB3 LEU 12 HB1 LEU 12 -8.490 -12.294 4.851
109 HG LEU 12 HG LEU 12 -11.497 -12.118 4.633
110 HD11 LEU 12 HD11 LEU 12 -11.497 -14.314 5.738
111 HD12 LEU 12 HD12 LEU 12 -9.740 -14.377 5.584
112 HD13 LEU 12 HD13 LEU 12 -10.754 -14.370 4.141
113 HD21 LEU 12 HD21 LEU 12 -11.394 -12.308 7.097
114 HD22 LEU 12 HD22 LEU 12 -10.646 -10.832 6.487
115 HD23 LEU 12 HD23 LEU 12 -9.637 -12.181 7.005
116 H VAL 13 HN VAL 13 -6.937 -11.385 4.211
117 HA VAL 13 HA VAL 13 -6.049 -9.958 1.800
118 HB VAL 13 HB VAL 13 -3.736 -9.912 2.972
119 HG11 VAL 13 HG11 VAL 13 -4.854 -7.892 2.387
120 HG12 VAL 13 HG12 VAL 13 -4.308 -7.729 4.057
121 HG13 VAL 13 HG13 VAL 13 -6.003 -8.075 3.712
122 HG21 VAL 13 HG21 VAL 13 -5.542 -10.079 5.385
123 HG22 VAL 13 HG22 VAL 13 -3.836 -9.638 5.410
124 HG23 VAL 13 HG23 VAL 13 -4.318 -11.260 4.918
125 H GLY 14 HN GLY 14 -5.088 -12.556 4.054
126 HA2 GLY 14 HA2 GLY 14 -4.233 -14.640 3.671
127 HA3 GLY 14 HA1 GLY 14 -5.000 -14.560 2.092
128 H LYS 15 HN LYS 15 -3.608 -14.918 0.511
129 HA LYS 15 HA LYS 15 -0.792 -14.752 0.840
130 HB2 LYS 15 HB2 LYS 15 -2.531 -15.960 -0.949
131 HB3 LYS 15 HB1 LYS 15 -1.722 -14.744 -1.926
132 HG2 LYS 15 HG2 LYS 15 -0.217 -16.699 -0.215
133 HG3 LYS 15 HG1 LYS 15 -0.692 -17.053 -1.879
134 HD2 LYS 15 HD2 LYS 15 0.552 -15.092 -2.651
135 HD3 LYS 15 HD1 LYS 15 1.006 -14.720 -0.988
136 HE2 LYS 15 HE2 LYS 15 2.802 -15.856 -2.210
137 HE3 LYS 15 HE1 LYS 15 2.242 -16.785 -0.821
138 HZ1 LYS 15 HZ1 LYS 15 1.377 -17.264 -3.619
139 HZ2 LYS 15 HZ2 LYS 15 1.002 -18.209 -2.271
140 HZ3 LYS 15 HZ3 LYS 15 2.592 -18.136 -2.831
141 H ALA 16 HN ALA 16 -3.223 -12.531 -0.260
142 HA ALA 16 HA ALA 16 -1.637 -10.814 -1.827
143 HB1 ALA 16 HB1 ALA 16 -4.056 -10.095 -0.179
144 HB2 ALA 16 HB2 ALA 16 -4.091 -10.764 -1.811
145 HB3 ALA 16 HB3 ALA 16 -3.389 -9.169 -1.524
146 H TRP 17 HN TRP 17 -1.854 -11.242 1.595
147 HA TRP 17 HA TRP 17 -0.866 -8.699 2.389
148 HB2 TRP 17 HB2 TRP 17 -2.063 -10.372 3.873
149 HB3 TRP 17 HB1 TRP 17 -0.568 -11.299 3.902
150 HD1 TRP 17 HD1 TRP 17 0.709 -10.879 6.066
151 HE1 TRP 17 HE1 TRP 17 1.113 -8.878 7.630
152 HE3 TRP 17 HE3 TRP 17 -2.081 -7.367 3.622
153 HZ2 TRP 17 HZ2 TRP 17 0.353 -6.167 7.802
154 HZ3 TRP 17 HZ3 TRP 17 -2.191 -5.096 4.553
155 HH2 TRP 17 HH2 TRP 17 -0.998 -4.511 6.605
156 H GLU 18 HN GLU 18 0.652 -11.841 1.777
157 HA GLU 18 HA GLU 18 3.285 -11.000 2.427
158 HB2 GLU 18 HB2 GLU 18 2.495 -13.263 0.585
159 HB3 GLU 18 HB1 GLU 18 4.024 -13.076 1.431
160 HG2 GLU 18 HG2 GLU 18 1.334 -13.753 2.561
161 HG3 GLU 18 HG1 GLU 18 2.821 -14.697 2.621
162 H ILE 19 HN ILE 19 1.347 -10.972 -0.483
163 HA ILE 19 HA ILE 19 3.382 -10.384 -2.339
164 HB ILE 19 HB ILE 19 0.465 -9.583 -2.402
165 HG12 ILE 19 HG12 ILE 19 0.649 -11.975 -2.279
166 HG13 ILE 19 HG11 ILE 19 0.247 -11.549 -3.938
167 HG21 ILE 19 HG21 ILE 19 0.759 -9.365 -4.824
168 HG22 ILE 19 HG22 ILE 19 2.484 -9.670 -4.639
169 HG23 ILE 19 HG23 ILE 19 1.763 -8.223 -3.934
170 HD11 ILE 19 HD11 ILE 19 2.905 -12.440 -2.858
171 HD12 ILE 19 HD12 ILE 19 2.686 -11.772 -4.473
172 HD13 ILE 19 HD13 ILE 19 1.872 -13.268 -4.021
173 H ARG 20 HN ARG 20 1.378 -8.364 -0.260
174 HA ARG 20 HA ARG 20 2.210 -5.853 -1.226
175 HB2 ARG 20 HB2 ARG 20 0.231 -6.076 0.170
176 HB3 ARG 20 HB1 ARG 20 1.198 -6.698 1.499
177 HG2 ARG 20 HG2 ARG 20 2.272 -4.559 1.781
178 HG3 ARG 20 HG1 ARG 20 1.441 -3.921 0.362
179 HD2 ARG 20 HD2 ARG 20 -0.629 -3.885 1.428
180 HD3 ARG 20 HD1 ARG 20 -0.118 -5.042 2.658
181 HE ARG 20 HE ARG 20 1.443 -3.055 3.316
182 HH11 ARG 20 HH11 ARG 20 -1.891 -2.883 2.275
183 HH12 ARG 20 HH12 ARG 20 -2.232 -1.432 3.167
184 HH21 ARG 20 HH21 ARG 20 1.005 -1.143 4.508
185 HH22 ARG 20 HH22 ARG 20 -0.580 -0.435 4.433
186 H ALA 21 HN ALA 21 3.475 -7.959 1.309
187 HA ALA 21 HA ALA 21 5.488 -6.209 2.238
188 HB1 ALA 21 HB1 ALA 21 4.643 -8.204 3.458
189 HB2 ALA 21 HB2 ALA 21 6.403 -8.118 3.364
190 HB3 ALA 21 HB3 ALA 21 5.513 -9.219 2.311
191 H LYS 22 HN LYS 22 5.528 -8.848 -0.126
192 HA LYS 22 HA LYS 22 8.259 -8.763 -0.732
193 HB2 LYS 22 HB2 LYS 22 6.721 -10.603 -1.375
194 HB3 LYS 22 HB1 LYS 22 5.992 -9.542 -2.572
195 HG2 LYS 22 HG2 LYS 22 7.554 -11.060 -3.623
196 HG3 LYS 22 HG1 LYS 22 8.144 -9.402 -3.742
197 HD2 LYS 22 HD2 LYS 22 9.635 -9.805 -1.836
198 HD3 LYS 22 HD1 LYS 22 9.051 -11.466 -1.737
199 HE2 LYS 22 HE2 LYS 22 10.265 -10.377 -4.255
200 HE3 LYS 22 HE1 LYS 22 11.263 -11.037 -2.964
201 HZ1 LYS 22 HZ1 LYS 22 10.164 -13.136 -3.172
202 HZ2 LYS 22 HZ2 LYS 22 10.711 -12.661 -4.701
203 HZ3 LYS 22 HZ3 LYS 22 9.074 -12.517 -4.308
204 H LEU 23 HN LEU 23 5.527 -7.000 -2.110
205 HA LEU 23 HA LEU 23 6.957 -5.774 -4.214
206 HB2 LEU 23 HB2 LEU 23 4.312 -5.477 -2.992
207 HB3 LEU 23 HB1 LEU 23 4.964 -3.975 -3.614
208 HG LEU 23 HG LEU 23 5.218 -4.982 -5.832
209 HD11 LEU 23 HD11 LEU 23 5.605 -7.302 -5.119
210 HD12 LEU 23 HD12 LEU 23 4.316 -7.185 -6.317
211 HD13 LEU 23 HD13 LEU 23 3.919 -7.417 -4.614
212 HD21 LEU 23 HD21 LEU 23 3.103 -3.869 -5.103
213 HD22 LEU 23 HD22 LEU 23 2.449 -5.469 -4.756
214 HD23 LEU 23 HD23 LEU 23 2.903 -5.039 -6.405
215 H LYS 24 HN LYS 24 6.503 -4.892 -0.854
216 HA LYS 24 HA LYS 24 7.651 -2.274 -1.184
217 HB2 LYS 24 HB2 LYS 24 6.966 -3.913 1.256
218 HB3 LYS 24 HB1 LYS 24 7.644 -2.295 1.341
219 HG2 LYS 24 HG2 LYS 24 5.191 -2.692 -0.284
220 HG3 LYS 24 HG1 LYS 24 5.047 -2.728 1.474
221 HD2 LYS 24 HD2 LYS 24 6.128 -0.532 1.600
222 HD3 LYS 24 HD1 LYS 24 6.262 -0.499 -0.161
223 HE2 LYS 24 HE2 LYS 24 4.347 0.817 0.687
224 HE3 LYS 24 HE1 LYS 24 3.864 -0.496 -0.379
225 HZ1 LYS 24 HZ1 LYS 24 2.407 -0.443 1.497
226 HZ2 LYS 24 HZ2 LYS 24 3.708 -0.473 2.578
227 HZ3 LYS 24 HZ3 LYS 24 3.376 -1.825 1.624
228 H GLU 25 HN GLU 25 8.812 -5.453 -0.419
229 HA GLU 25 HA GLU 25 11.327 -4.535 0.622
230 HB2 GLU 25 HB2 GLU 25 10.109 -6.724 1.200
231 HB3 GLU 25 HB1 GLU 25 10.732 -7.324 -0.331
232 HG2 GLU 25 HG2 GLU 25 12.992 -7.032 0.404
233 HG3 GLU 25 HG1 GLU 25 12.449 -6.237 1.882
234 H TYR 26 HN TYR 26 10.129 -5.797 -2.447
235 HA TYR 26 HA TYR 26 12.789 -5.711 -3.612
236 HB2 TYR 26 HB2 TYR 26 10.724 -7.343 -4.097
237 HB3 TYR 26 HB1 TYR 26 10.394 -6.124 -5.322
238 HD1 TYR 26 HD1 TYR 26 12.095 -5.667 -7.094
239 HD2 TYR 26 HD2 TYR 26 12.512 -8.889 -4.346
240 HE1 TYR 26 HE1 TYR 26 13.762 -6.705 -8.573
241 HE2 TYR 26 HE2 TYR 26 14.179 -9.934 -5.817
242 HH TYR 26 HH TYR 26 14.892 -9.929 -8.067
243 H GLY 27 HN GLY 27 9.823 -3.815 -3.706
244 HA2 GLY 27 HA2 GLY 27 10.852 -2.151 -5.862
245 HA3 GLY 27 HA1 GLY 27 9.291 -1.992 -5.073
246 H ARG 28 HN ARG 28 9.139 -0.882 -3.116
247 HA ARG 28 HA ARG 28 9.542 0.787 -1.647
248 HB2 ARG 28 HB2 ARG 28 11.517 -0.843 -1.162
249 HB3 ARG 28 HB1 ARG 28 12.502 0.397 -1.926
250 HG2 ARG 28 HG2 ARG 28 12.044 1.958 -0.260
251 HG3 ARG 28 HG1 ARG 28 10.630 1.072 0.314
252 HD2 ARG 28 HD2 ARG 28 13.460 0.054 0.505
253 HD3 ARG 28 HD1 ARG 28 12.630 0.915 1.801
254 HE ARG 28 HE ARG 28 11.330 -1.479 0.748
255 HH11 ARG 28 HH11 ARG 28 13.238 -0.001 3.285
256 HH12 ARG 28 HH12 ARG 28 12.934 -1.264 4.436
257 HH21 ARG 28 HH21 ARG 28 10.908 -3.153 2.278
258 HH22 ARG 28 HH22 ARG 28 11.622 -3.057 3.858
259 H THR 29 HN THR 29 9.703 1.199 -4.639
260 HA THR 29 HA THR 29 11.471 3.378 -5.095
261 HB THR 29 HB THR 29 9.008 2.994 -6.742
262 HG1 THR 29 HG1 THR 29 11.238 1.206 -6.730
263 HG21 THR 29 HG21 THR 29 11.915 3.346 -7.501
264 HG22 THR 29 HG22 THR 29 10.766 4.670 -7.314
265 HG23 THR 29 HG23 THR 29 10.516 3.458 -8.570
266 H PHE 30 HN PHE 30 11.234 5.290 -4.096
267 HA PHE 30 HA PHE 30 10.334 7.192 -3.243
268 HB2 PHE 30 HB2 PHE 30 8.299 6.571 -5.381
269 HB3 PHE 30 HB1 PHE 30 8.182 8.008 -4.373
270 HD1 PHE 30 HD2 PHE 30 10.406 9.447 -4.271
271 HD2 PHE 30 HD1 PHE 30 9.379 6.738 -7.394
272 HE1 PHE 30 HE2 PHE 30 11.917 10.640 -5.802
273 HE2 PHE 30 HE1 PHE 30 10.891 7.925 -8.923
274 HZ PHE 30 HZ PHE 30 12.160 9.884 -8.130
275 H GLN 31 HN GLN 31 10.021 5.282 -1.521
276 HA GLN 31 HA GLN 31 7.227 4.952 -0.796
277 HB2 GLN 31 HB2 GLN 31 9.605 3.480 -0.340
278 HB3 GLN 31 HB1 GLN 31 9.016 3.999 1.232
279 HG2 GLN 31 HG2 GLN 31 8.049 1.901 0.860
280 HG3 GLN 31 HG1 GLN 31 6.769 3.068 0.551
281 HE21 GLN 31 HE21 GLN 31 7.629 3.850 -2.061
282 HE22 GLN 31 HE22 GLN 31 7.342 2.512 -3.113
283 H TYR 32 HN TYR 32 9.683 7.171 -0.223
284 HA TYR 32 HA TYR 32 9.179 7.913 2.440
285 HB2 TYR 32 HB2 TYR 32 10.289 9.432 0.081
286 HB3 TYR 32 HB1 TYR 32 10.142 10.161 1.675
287 HD1 TYR 32 HD2 TYR 32 11.396 9.141 3.598
288 HD2 TYR 32 HD1 TYR 32 12.093 7.981 -0.436
289 HE1 TYR 32 HE2 TYR 32 13.546 8.158 4.262
290 HE2 TYR 32 HE1 TYR 32 14.254 6.999 0.216
291 HH TYR 32 HH TYR 32 15.923 7.244 2.037
292 H VAL 33 HN VAL 33 7.706 8.915 -0.601
293 HA VAL 33 HA VAL 33 6.027 10.888 0.627
294 HB VAL 33 HB VAL 33 4.874 10.961 -1.579
295 HG11 VAL 33 HG11 VAL 33 7.880 11.176 -1.618
296 HG12 VAL 33 HG12 VAL 33 6.735 12.428 -1.138
297 HG13 VAL 33 HG13 VAL 33 6.794 11.886 -2.812
298 HG21 VAL 33 HG21 VAL 33 5.801 9.719 -3.461
299 HG22 VAL 33 HG22 VAL 33 5.200 8.618 -2.224
300 HG23 VAL 33 HG23 VAL 33 6.933 8.901 -2.385
301 H LYS 34 HN LYS 34 5.965 7.560 0.557
302 HA LYS 34 HA LYS 34 3.071 7.308 0.505
303 HB2 LYS 34 HB2 LYS 34 4.465 5.577 -0.586
304 HB3 LYS 34 HB1 LYS 34 5.213 5.213 0.962
305 HG2 LYS 34 HG2 LYS 34 3.555 3.548 0.470
306 HG3 LYS 34 HG1 LYS 34 3.006 4.525 1.833
307 HD2 LYS 34 HD2 LYS 34 1.793 5.916 -0.002
308 HD3 LYS 34 HD1 LYS 34 2.009 4.471 -0.987
309 HE2 LYS 34 HE2 LYS 34 0.842 3.139 0.675
310 HE3 LYS 34 HE1 LYS 34 0.671 4.550 1.713
311 HZ1 LYS 34 HZ1 LYS 34 -1.360 4.144 0.510
312 HZ2 LYS 34 HZ2 LYS 34 -0.548 4.197 -0.970
313 HZ3 LYS 34 HZ3 LYS 34 -0.675 5.592 -0.027
314 H ASP 35 HN ASP 35 5.663 7.608 2.745
315 HA ASP 35 HA ASP 35 3.954 6.832 4.992
316 HB2 ASP 35 HB2 ASP 35 6.260 5.953 4.956
317 HB3 ASP 35 HB1 ASP 35 6.880 7.602 4.963
318 H TRP 36 HN TRP 36 5.186 9.595 3.365
319 HA TRP 36 HA TRP 36 4.788 11.413 5.561
320 HB2 TRP 36 HB2 TRP 36 6.489 11.684 3.668
321 HB3 TRP 36 HB1 TRP 36 5.126 12.149 2.656
322 HD1 TRP 36 HD1 TRP 36 4.745 14.668 2.549
323 HE1 TRP 36 HE1 TRP 36 5.302 16.694 4.036
324 HE3 TRP 36 HE3 TRP 36 6.866 12.209 6.485
325 HZ2 TRP 36 HZ2 TRP 36 6.491 17.178 6.544
326 HZ3 TRP 36 HZ3 TRP 36 7.695 13.522 8.390
327 HH2 TRP 36 HH2 TRP 36 7.512 15.959 8.419
328 H ILE 37 HN ILE 37 2.768 11.715 6.211
329 HA ILE 37 HA ILE 37 0.541 12.130 6.247
330 HB ILE 37 HB ILE 37 0.913 13.574 3.623
331 HG12 ILE 37 HG12 ILE 37 1.422 14.674 6.399
332 HG13 ILE 37 HG11 ILE 37 2.693 14.199 5.277
333 HG21 ILE 37 HG21 ILE 37 -0.858 15.026 4.493
334 HG22 ILE 37 HG22 ILE 37 -0.946 14.048 5.958
335 HG23 ILE 37 HG23 ILE 37 -1.387 13.347 4.402
336 HD11 ILE 37 HD11 ILE 37 2.016 15.907 3.726
337 HD12 ILE 37 HD12 ILE 37 2.293 16.624 5.313
338 HD13 ILE 37 HD13 ILE 37 0.646 16.341 4.745
339 H SER 38 HN SER 38 0.597 9.707 5.718
340 HA SER 38 HA SER 38 -0.425 9.012 3.104
341 HB2 SER 38 HB2 SER 38 -0.670 6.744 4.609
342 HB3 SER 38 HB1 SER 38 0.788 7.204 3.731
343 HG SER 38 HG SER 38 1.649 7.091 5.655
344 H LYS 39 HN LYS 39 -2.306 10.418 3.335
345 HA LYS 39 HA LYS 39 -4.462 9.107 4.852
346 HB2 LYS 39 HB2 LYS 39 -3.975 12.024 4.279
347 HB3 LYS 39 HB1 LYS 39 -5.562 11.424 4.739
348 HG2 LYS 39 HG2 LYS 39 -4.509 10.481 6.807
349 HG3 LYS 39 HG1 LYS 39 -3.031 11.334 6.359
350 HD2 LYS 39 HD2 LYS 39 -4.094 13.452 6.548
351 HD3 LYS 39 HD1 LYS 39 -5.690 12.711 6.680
352 HE2 LYS 39 HE2 LYS 39 -4.787 11.584 8.789
353 HE3 LYS 39 HE1 LYS 39 -3.463 12.745 8.691
354 HZ1 LYS 39 HZ1 LYS 39 -6.353 13.341 8.988
355 HZ2 LYS 39 HZ2 LYS 39 -5.180 14.517 8.674
356 HZ3 LYS 39 HZ3 LYS 39 -5.125 13.633 10.111
357 HA PRO 40 HA PRO 40 -5.847 8.616 0.570
358 HB2 PRO 40 HB2 PRO 40 -7.476 6.448 1.588
359 HB3 PRO 40 HB1 PRO 40 -6.090 6.361 0.504
360 HG2 PRO 40 HG2 PRO 40 -6.054 5.400 3.046
361 HG3 PRO 40 HG1 PRO 40 -4.605 5.993 2.215
362 HD2 PRO 40 HD2 PRO 40 -6.346 7.383 4.223
363 HD3 PRO 40 HD1 PRO 40 -4.572 7.359 4.093
Start of MODEL 8
1 H1 MET 1 HT1 MET 1 5.683 -17.221 -28.107
2 H2 MET 1 HT2 MET 1 6.432 -18.709 -27.843
3 H3 MET 1 HT3 MET 1 6.801 -17.391 -26.850
4 HA MET 1 HA MET 1 4.224 -18.832 -27.013
5 HB2 MET 1 HB2 MET 1 6.257 -18.527 -24.787
6 HB3 MET 1 HB1 MET 1 4.678 -19.272 -24.597
7 HG2 MET 1 HG2 MET 1 6.885 -20.246 -26.392
8 HG3 MET 1 HG1 MET 1 6.432 -20.938 -24.836
9 HE1 MET 1 HE1 MET 1 6.273 -23.327 -26.064
10 HE2 MET 1 HE2 MET 1 6.683 -22.566 -27.602
11 HE3 MET 1 HE3 MET 1 5.272 -23.617 -27.489
12 H LYS 2 HN LYS 2 2.706 -18.078 -25.279
13 HA LYS 2 HA LYS 2 2.293 -15.280 -25.542
14 HB2 LYS 2 HB2 LYS 2 0.965 -17.400 -23.861
15 HB3 LYS 2 HB1 LYS 2 0.470 -15.716 -23.802
16 HG2 LYS 2 HG2 LYS 2 -0.265 -15.743 -26.035
17 HG3 LYS 2 HG1 LYS 2 0.554 -17.270 -26.363
18 HD2 LYS 2 HD2 LYS 2 -1.872 -17.563 -26.113
19 HD3 LYS 2 HD1 LYS 2 -0.967 -18.442 -24.880
20 HE2 LYS 2 HE2 LYS 2 -1.374 -16.573 -23.314
21 HE3 LYS 2 HE1 LYS 2 -2.371 -15.794 -24.538
22 HZ1 LYS 2 HZ1 LYS 2 -3.620 -17.091 -22.851
23 HZ2 LYS 2 HZ2 LYS 2 -2.909 -18.501 -23.455
24 HZ3 LYS 2 HZ3 LYS 2 -3.919 -17.575 -24.443
25 H VAL 3 HN VAL 3 3.035 -17.322 -22.720
26 HA VAL 3 HA VAL 3 3.622 -14.999 -21.114
27 HB VAL 3 HB VAL 3 2.585 -17.072 -20.157
28 HG11 VAL 3 HG11 VAL 3 5.356 -18.236 -20.336
29 HG12 VAL 3 HG12 VAL 3 4.008 -18.704 -21.372
30 HG13 VAL 3 HG13 VAL 3 3.926 -18.990 -19.635
31 HG21 VAL 3 HG21 VAL 3 5.132 -16.009 -18.963
32 HG22 VAL 3 HG22 VAL 3 4.032 -17.081 -18.097
33 HG23 VAL 3 HG23 VAL 3 3.478 -15.495 -18.634
34 H HIS 4 HN HIS 4 5.563 -14.148 -20.677
35 HA HIS 4 HA HIS 4 7.843 -15.272 -22.119
36 HB2 HIS 4 HB2 HIS 4 7.399 -12.535 -20.921
37 HB3 HIS 4 HB1 HIS 4 8.893 -13.036 -21.709
38 HD1 HIS 4 HD1 HIS 4 8.527 -13.851 -24.308
39 HD2 HIS 4 HD2 HIS 4 5.579 -11.453 -22.619
40 HE1 HIS 4 HE1 HIS 4 7.183 -12.968 -26.240
41 HE2 HIS 4 HE2 HIS 4 5.559 -11.351 -25.203
42 H ARG 5 HN ARG 5 7.284 -16.788 -20.102
43 HA ARG 5 HA ARG 5 8.087 -17.849 -18.293
44 HB2 ARG 5 HB2 ARG 5 10.272 -17.065 -19.676
45 HB3 ARG 5 HB1 ARG 5 10.584 -16.279 -18.135
46 HG2 ARG 5 HG2 ARG 5 11.219 -18.187 -17.222
47 HG3 ARG 5 HG1 ARG 5 9.724 -18.985 -17.705
48 HD2 ARG 5 HD2 ARG 5 12.181 -18.621 -19.412
49 HD3 ARG 5 HD1 ARG 5 11.665 -20.119 -18.647
50 HE ARG 5 HE ARG 5 10.222 -18.756 -20.832
51 HH11 ARG 5 HH11 ARG 5 11.043 -21.658 -19.047
52 HH12 ARG 5 HH12 ARG 5 10.190 -22.712 -20.123
53 HH21 ARG 5 HH21 ARG 5 9.123 -20.135 -22.256
54 HH22 ARG 5 HH22 ARG 5 9.097 -21.845 -21.957
55 H MET 6 HN MET 6 6.606 -15.311 -17.942
56 HA MET 6 HA MET 6 6.941 -15.092 -15.117
57 HB2 MET 6 HB2 MET 6 8.726 -13.532 -16.160
58 HB3 MET 6 HB1 MET 6 7.363 -12.504 -16.590
59 HG2 MET 6 HG2 MET 6 6.730 -12.326 -14.258
60 HG3 MET 6 HG1 MET 6 8.047 -13.404 -13.801
61 HE1 MET 6 HE1 MET 6 9.597 -10.225 -12.363
62 HE2 MET 6 HE2 MET 6 9.353 -11.962 -12.172
63 HE3 MET 6 HE3 MET 6 7.966 -10.873 -12.197
64 HA PRO 7 HA PRO 7 2.712 -14.123 -16.424
65 HB2 PRO 7 HB2 PRO 7 1.620 -15.814 -14.477
66 HB3 PRO 7 HB1 PRO 7 1.911 -16.225 -16.165
67 HG2 PRO 7 HG2 PRO 7 3.215 -17.292 -13.888
68 HG3 PRO 7 HG1 PRO 7 3.607 -17.592 -15.586
69 HD2 PRO 7 HD2 PRO 7 4.907 -15.776 -13.639
70 HD3 PRO 7 HD1 PRO 7 5.577 -16.554 -15.088
71 H LYS 8 HN LYS 8 2.439 -12.081 -15.705
72 HA LYS 8 HA LYS 8 2.359 -11.554 -12.833
73 HB2 LYS 8 HB2 LYS 8 2.136 -9.584 -15.116
74 HB3 LYS 8 HB1 LYS 8 2.409 -9.209 -13.422
75 HG2 LYS 8 HG2 LYS 8 4.582 -10.391 -13.550
76 HG3 LYS 8 HG1 LYS 8 4.313 -10.622 -15.280
77 HD2 LYS 8 HD2 LYS 8 4.099 -8.124 -15.481
78 HD3 LYS 8 HD1 LYS 8 4.624 -8.012 -13.798
79 HE2 LYS 8 HE2 LYS 8 6.692 -9.250 -14.435
80 HE3 LYS 8 HE1 LYS 8 6.171 -9.165 -16.118
81 HZ1 LYS 8 HZ1 LYS 8 7.583 -7.370 -15.895
82 HZ2 LYS 8 HZ2 LYS 8 7.047 -6.984 -14.341
83 HZ3 LYS 8 HZ3 LYS 8 6.067 -6.655 -15.678
84 H GLY 9 HN GLY 9 0.549 -10.621 -11.813
85 HA2 GLY 9 HA2 GLY 9 -1.718 -9.628 -12.202
86 HA3 GLY 9 HA1 GLY 9 -1.976 -10.968 -13.313
87 H VAL 10 HN VAL 10 -0.977 -10.398 -9.951
88 HA VAL 10 HA VAL 10 -2.182 -12.927 -9.163
89 HB VAL 10 HB VAL 10 -0.746 -10.916 -7.422
90 HG11 VAL 10 HG11 VAL 10 -2.196 -12.458 -6.194
91 HG12 VAL 10 HG12 VAL 10 -0.493 -12.777 -5.864
92 HG13 VAL 10 HG13 VAL 10 -1.390 -13.829 -6.958
93 HG21 VAL 10 HG21 VAL 10 0.396 -13.440 -8.606
94 HG22 VAL 10 HG22 VAL 10 1.247 -12.194 -7.690
95 HG23 VAL 10 HG23 VAL 10 0.633 -11.839 -9.305
96 H VAL 11 HN VAL 11 -4.346 -12.798 -9.052
97 HA VAL 11 HA VAL 11 -5.510 -10.629 -7.429
98 HB VAL 11 HB VAL 11 -7.667 -11.175 -8.620
99 HG11 VAL 11 HG11 VAL 11 -6.956 -10.029 -10.759
100 HG12 VAL 11 HG12 VAL 11 -5.312 -10.077 -10.127
101 HG13 VAL 11 HG13 VAL 11 -6.567 -9.193 -9.258
102 HG21 VAL 11 HG21 VAL 11 -5.826 -12.684 -10.475
103 HG22 VAL 11 HG22 VAL 11 -7.532 -12.338 -10.760
104 HG23 VAL 11 HG23 VAL 11 -7.058 -13.398 -9.434
105 H LEU 12 HN LEU 12 -4.401 -13.409 -6.862
106 HA LEU 12 HA LEU 12 -6.660 -14.923 -5.921
107 HB2 LEU 12 HB2 LEU 12 -3.738 -15.362 -5.322
108 HB3 LEU 12 HB1 LEU 12 -5.034 -16.528 -5.163
109 HG LEU 12 HG LEU 12 -4.144 -15.355 -7.796
110 HD11 LEU 12 HD11 LEU 12 -3.444 -18.002 -6.535
111 HD12 LEU 12 HD12 LEU 12 -2.341 -16.653 -6.810
112 HD13 LEU 12 HD13 LEU 12 -3.046 -17.509 -8.182
113 HD21 LEU 12 HD21 LEU 12 -5.404 -17.274 -8.720
114 HD22 LEU 12 HD22 LEU 12 -6.425 -16.128 -7.851
115 HD23 LEU 12 HD23 LEU 12 -5.964 -17.652 -7.092
116 H VAL 13 HN VAL 13 -7.647 -14.627 -4.031
117 HA VAL 13 HA VAL 13 -6.561 -12.810 -2.084
118 HB VAL 13 HB VAL 13 -9.041 -14.511 -1.811
119 HG11 VAL 13 HG11 VAL 13 -8.134 -11.972 -0.468
120 HG12 VAL 13 HG12 VAL 13 -8.393 -13.550 0.276
121 HG13 VAL 13 HG13 VAL 13 -9.765 -12.631 -0.340
122 HG21 VAL 13 HG21 VAL 13 -10.276 -12.547 -2.665
123 HG22 VAL 13 HG22 VAL 13 -9.215 -13.265 -3.875
124 HG23 VAL 13 HG23 VAL 13 -8.737 -11.779 -3.055
125 H GLY 14 HN GLY 14 -5.651 -13.281 -0.170
126 HA2 GLY 14 HA2 GLY 14 -5.663 -15.030 1.675
127 HA3 GLY 14 HA1 GLY 14 -5.149 -16.123 0.403
128 H LYS 15 HN LYS 15 -3.277 -14.800 -0.961
129 HA LYS 15 HA LYS 15 -1.230 -14.326 1.090
130 HB2 LYS 15 HB2 LYS 15 0.423 -14.874 -0.612
131 HB3 LYS 15 HB1 LYS 15 -0.755 -16.164 -0.439
132 HG2 LYS 15 HG2 LYS 15 -1.897 -15.369 -2.468
133 HG3 LYS 15 HG1 LYS 15 -0.662 -14.115 -2.645
134 HD2 LYS 15 HD2 LYS 15 1.044 -15.974 -2.646
135 HD3 LYS 15 HD1 LYS 15 -0.305 -17.104 -2.784
136 HE2 LYS 15 HE2 LYS 15 -1.010 -15.909 -4.853
137 HE3 LYS 15 HE1 LYS 15 0.445 -14.922 -4.731
138 HZ1 LYS 15 HZ1 LYS 15 0.799 -16.737 -6.245
139 HZ2 LYS 15 HZ2 LYS 15 0.356 -17.872 -5.075
140 HZ3 LYS 15 HZ3 LYS 15 1.767 -16.962 -4.880
141 H ALA 16 HN ALA 16 -3.192 -12.372 0.131
142 HA ALA 16 HA ALA 16 -2.002 -10.478 -1.581
143 HB1 ALA 16 HB1 ALA 16 -4.046 -9.986 0.581
144 HB2 ALA 16 HB2 ALA 16 -4.413 -10.526 -1.057
145 HB3 ALA 16 HB3 ALA 16 -3.696 -8.936 -0.791
146 H TRP 17 HN TRP 17 -1.886 -10.938 1.903
147 HA TRP 17 HA TRP 17 -0.497 -8.510 2.454
148 HB2 TRP 17 HB2 TRP 17 -0.705 -11.041 4.102
149 HB3 TRP 17 HB1 TRP 17 -0.142 -9.480 4.688
150 HD1 TRP 17 HD1 TRP 17 -1.991 -7.566 5.062
151 HE1 TRP 17 HE1 TRP 17 -4.540 -7.689 5.383
152 HE3 TRP 17 HE3 TRP 17 -2.784 -12.328 3.385
153 HZ2 TRP 17 HZ2 TRP 17 -6.612 -9.563 4.983
154 HZ3 TRP 17 HZ3 TRP 17 -5.081 -13.207 3.385
155 HH2 TRP 17 HH2 TRP 17 -6.954 -11.856 4.165
156 H GLU 18 HN GLU 18 0.404 -11.645 1.390
157 HA GLU 18 HA GLU 18 3.158 -11.510 2.169
158 HB2 GLU 18 HB2 GLU 18 2.000 -13.660 1.796
159 HB3 GLU 18 HB1 GLU 18 1.778 -13.247 0.102
160 HG2 GLU 18 HG2 GLU 18 3.591 -14.732 0.169
161 HG3 GLU 18 HG1 GLU 18 4.296 -13.133 -0.065
162 H ILE 19 HN ILE 19 1.385 -11.078 -0.888
163 HA ILE 19 HA ILE 19 3.663 -10.406 -2.413
164 HB ILE 19 HB ILE 19 1.460 -11.184 -3.353
165 HG12 ILE 19 HG12 ILE 19 1.582 -9.573 -5.339
166 HG13 ILE 19 HG11 ILE 19 2.857 -8.752 -4.447
167 HG21 ILE 19 HG21 ILE 19 0.655 -8.305 -2.959
168 HG22 ILE 19 HG22 ILE 19 -0.022 -9.692 -2.105
169 HG23 ILE 19 HG23 ILE 19 -0.255 -9.526 -3.845
170 HD11 ILE 19 HD11 ILE 19 4.234 -10.701 -4.501
171 HD12 ILE 19 HD12 ILE 19 3.661 -10.379 -6.137
172 HD13 ILE 19 HD13 ILE 19 2.924 -11.667 -5.183
173 H ARG 20 HN ARG 20 1.500 -8.506 -0.414
174 HA ARG 20 HA ARG 20 2.296 -5.953 -1.343
175 HB2 ARG 20 HB2 ARG 20 0.936 -6.973 1.122
176 HB3 ARG 20 HB1 ARG 20 1.514 -5.313 1.096
177 HG2 ARG 20 HG2 ARG 20 -0.243 -6.384 -1.082
178 HG3 ARG 20 HG1 ARG 20 -0.914 -5.766 0.429
179 HD2 ARG 20 HD2 ARG 20 0.080 -3.612 0.058
180 HD3 ARG 20 HD1 ARG 20 0.954 -4.209 -1.352
181 HE ARG 20 HE ARG 20 -1.654 -4.660 -1.970
182 HH11 ARG 20 HH11 ARG 20 0.107 -1.832 -0.891
183 HH12 ARG 20 HH12 ARG 20 -0.887 -0.718 -1.774
184 HH21 ARG 20 HH21 ARG 20 -2.958 -3.207 -3.137
185 HH22 ARG 20 HH22 ARG 20 -2.639 -1.503 -3.051
186 H ALA 21 HN ALA 21 3.419 -8.035 1.267
187 HA ALA 21 HA ALA 21 5.350 -6.224 2.286
188 HB1 ALA 21 HB1 ALA 21 5.072 -9.210 2.544
189 HB2 ALA 21 HB2 ALA 21 4.496 -7.986 3.674
190 HB3 ALA 21 HB3 ALA 21 6.225 -8.233 3.450
191 H LYS 22 HN LYS 22 5.478 -8.936 0.034
192 HA LYS 22 HA LYS 22 8.261 -8.917 -0.393
193 HB2 LYS 22 HB2 LYS 22 6.761 -10.798 -0.975
194 HB3 LYS 22 HB1 LYS 22 6.057 -9.825 -2.260
195 HG2 LYS 22 HG2 LYS 22 8.233 -9.736 -3.383
196 HG3 LYS 22 HG1 LYS 22 8.927 -10.729 -2.100
197 HD2 LYS 22 HD2 LYS 22 7.436 -12.562 -2.685
198 HD3 LYS 22 HD1 LYS 22 6.659 -11.563 -3.916
199 HE2 LYS 22 HE2 LYS 22 8.224 -13.038 -4.985
200 HE3 LYS 22 HE1 LYS 22 8.844 -11.393 -5.078
201 HZ1 LYS 22 HZ1 LYS 22 10.527 -13.081 -4.470
202 HZ2 LYS 22 HZ2 LYS 22 9.684 -13.372 -3.038
203 HZ3 LYS 22 HZ3 LYS 22 10.369 -11.853 -3.316
204 H LEU 23 HN LEU 23 5.612 -7.272 -2.060
205 HA LEU 23 HA LEU 23 7.219 -6.200 -4.138
206 HB2 LEU 23 HB2 LEU 23 4.478 -6.183 -3.472
207 HB3 LEU 23 HB1 LEU 23 4.973 -4.504 -3.544
208 HG LEU 23 HG LEU 23 5.901 -4.961 -5.834
209 HD11 LEU 23 HD11 LEU 23 6.122 -7.397 -5.582
210 HD12 LEU 23 HD12 LEU 23 5.179 -6.952 -7.002
211 HD13 LEU 23 HD13 LEU 23 4.365 -7.539 -5.552
212 HD21 LEU 23 HD21 LEU 23 3.757 -3.861 -5.551
213 HD22 LEU 23 HD22 LEU 23 2.949 -5.422 -5.402
214 HD23 LEU 23 HD23 LEU 23 3.703 -4.960 -6.928
215 H LYS 24 HN LYS 24 6.419 -5.100 -0.916
216 HA LYS 24 HA LYS 24 7.324 -2.432 -1.250
217 HB2 LYS 24 HB2 LYS 24 5.792 -3.222 0.561
218 HB3 LYS 24 HB1 LYS 24 7.162 -4.033 1.304
219 HG2 LYS 24 HG2 LYS 24 8.259 -1.949 1.720
220 HG3 LYS 24 HG1 LYS 24 7.047 -1.069 0.786
221 HD2 LYS 24 HD2 LYS 24 6.455 -2.641 3.288
222 HD3 LYS 24 HD1 LYS 24 6.757 -0.902 3.257
223 HE2 LYS 24 HE2 LYS 24 4.850 -0.649 1.691
224 HE3 LYS 24 HE1 LYS 24 4.519 -2.375 1.862
225 HZ1 LYS 24 HZ1 LYS 24 3.111 -1.101 3.315
226 HZ2 LYS 24 HZ2 LYS 24 4.443 -0.344 4.029
227 HZ3 LYS 24 HZ3 LYS 24 4.192 -2.002 4.249
228 H GLU 25 HN GLU 25 8.881 -5.421 -0.212
229 HA GLU 25 HA GLU 25 11.322 -4.151 0.566
230 HB2 GLU 25 HB2 GLU 25 10.577 -7.018 0.039
231 HB3 GLU 25 HB1 GLU 25 12.213 -6.540 0.474
232 HG2 GLU 25 HG2 GLU 25 11.358 -5.562 2.555
233 HG3 GLU 25 HG1 GLU 25 9.736 -6.102 2.124
234 H TYR 26 HN TYR 26 10.110 -5.593 -2.381
235 HA TYR 26 HA TYR 26 12.684 -5.468 -3.680
236 HB2 TYR 26 HB2 TYR 26 10.941 -7.209 -4.205
237 HB3 TYR 26 HB1 TYR 26 9.988 -5.942 -4.969
238 HD1 TYR 26 HD2 TYR 26 13.521 -7.174 -5.059
239 HD2 TYR 26 HD1 TYR 26 10.136 -5.829 -7.262
240 HE1 TYR 26 HE2 TYR 26 14.750 -7.523 -7.157
241 HE2 TYR 26 HE1 TYR 26 11.367 -6.160 -9.365
242 HH TYR 26 HH TYR 26 14.281 -7.903 -9.530
243 H GLY 27 HN GLY 27 9.663 -3.651 -3.743
244 HA2 GLY 27 HA2 GLY 27 10.892 -1.695 -5.564
245 HA3 GLY 27 HA1 GLY 27 9.170 -1.857 -5.241
246 H ARG 28 HN ARG 28 12.097 -1.427 -3.295
247 HA ARG 28 HA ARG 28 10.790 0.164 -1.346
248 HB2 ARG 28 HB2 ARG 28 13.248 0.679 -0.692
249 HB3 ARG 28 HB1 ARG 28 12.639 -0.959 -0.513
250 HG2 ARG 28 HG2 ARG 28 13.687 -1.579 -2.639
251 HG3 ARG 28 HG1 ARG 28 14.317 0.059 -2.794
252 HD2 ARG 28 HD2 ARG 28 14.911 -1.717 -0.447
253 HD3 ARG 28 HD1 ARG 28 15.920 -1.663 -1.889
254 HE ARG 28 HE ARG 28 15.961 0.877 -1.292
255 HH11 ARG 28 HH11 ARG 28 16.112 -1.840 0.912
256 HH12 ARG 28 HH12 ARG 28 17.027 -0.985 2.113
257 HH21 ARG 28 HH21 ARG 28 17.172 2.009 0.277
258 HH22 ARG 28 HH22 ARG 28 17.624 1.219 1.752
259 H THR 29 HN THR 29 9.811 1.903 -2.350
260 HA THR 29 HA THR 29 11.513 3.783 -3.802
261 HB THR 29 HB THR 29 9.329 3.136 -4.786
262 HG1 THR 29 HG1 THR 29 9.844 5.833 -4.073
263 HG21 THR 29 HG21 THR 29 7.261 4.039 -3.830
264 HG22 THR 29 HG22 THR 29 8.164 4.633 -2.436
265 HG23 THR 29 HG23 THR 29 8.034 2.899 -2.728
266 H PHE 30 HN PHE 30 11.024 3.245 -0.719
267 HA PHE 30 HA PHE 30 11.306 4.425 1.187
268 HB2 PHE 30 HB2 PHE 30 12.255 6.343 -0.862
269 HB3 PHE 30 HB1 PHE 30 11.825 7.036 0.698
270 HD1 PHE 30 HD1 PHE 30 14.012 4.600 -0.992
271 HD2 PHE 30 HD2 PHE 30 13.201 6.755 2.582
272 HE1 PHE 30 HE1 PHE 30 16.195 3.919 -0.097
273 HE2 PHE 30 HE2 PHE 30 15.386 6.078 3.488
274 HZ PHE 30 HZ PHE 30 16.885 4.661 2.148
275 H GLN 31 HN GLN 31 10.567 6.831 2.110
276 HA GLN 31 HA GLN 31 7.688 6.948 1.496
277 HB2 GLN 31 HB2 GLN 31 7.219 7.359 3.798
278 HB3 GLN 31 HB1 GLN 31 8.292 5.971 3.735
279 HG2 GLN 31 HG2 GLN 31 9.112 8.793 4.404
280 HG3 GLN 31 HG1 GLN 31 8.849 7.496 5.564
281 HE21 GLN 31 HE21 GLN 31 10.378 5.818 5.711
282 HE22 GLN 31 HE22 GLN 31 11.960 5.971 5.026
283 H TYR 32 HN TYR 32 9.935 8.476 0.365
284 HA TYR 32 HA TYR 32 10.121 11.057 1.403
285 HB2 TYR 32 HB2 TYR 32 11.429 9.845 -0.546
286 HB3 TYR 32 HB1 TYR 32 10.234 10.648 -1.558
287 HD1 TYR 32 HD2 TYR 32 12.753 11.338 1.096
288 HD2 TYR 32 HD1 TYR 32 10.582 12.850 -2.232
289 HE1 TYR 32 HE2 TYR 32 14.099 13.390 1.157
290 HE2 TYR 32 HE1 TYR 32 11.928 14.907 -2.181
291 HH TYR 32 HH TYR 32 14.757 15.202 -0.237
292 H VAL 33 HN VAL 33 7.907 9.803 -1.092
293 HA VAL 33 HA VAL 33 6.605 12.275 -1.559
294 HB VAL 33 HB VAL 33 5.288 9.596 -1.935
295 HG11 VAL 33 HG11 VAL 33 5.148 12.190 -3.468
296 HG12 VAL 33 HG12 VAL 33 3.919 11.549 -2.380
297 HG13 VAL 33 HG13 VAL 33 4.290 10.707 -3.887
298 HG21 VAL 33 HG21 VAL 33 7.206 9.045 -3.022
299 HG22 VAL 33 HG22 VAL 33 7.636 10.722 -3.350
300 HG23 VAL 33 HG23 VAL 33 6.399 9.924 -4.321
301 H LYS 34 HN LYS 34 6.219 9.799 0.838
302 HA LYS 34 HA LYS 34 3.580 10.543 1.655
303 HB2 LYS 34 HB2 LYS 34 4.912 8.296 1.999
304 HB3 LYS 34 HB1 LYS 34 5.482 9.092 3.458
305 HG2 LYS 34 HG2 LYS 34 2.553 8.947 2.877
306 HG3 LYS 34 HG1 LYS 34 3.400 7.564 3.571
307 HD2 LYS 34 HD2 LYS 34 4.126 8.898 5.450
308 HD3 LYS 34 HD1 LYS 34 3.415 10.345 4.735
309 HE2 LYS 34 HE2 LYS 34 1.218 9.507 5.006
310 HE3 LYS 34 HE1 LYS 34 1.811 7.901 5.421
311 HZ1 LYS 34 HZ1 LYS 34 2.206 10.346 7.045
312 HZ2 LYS 34 HZ2 LYS 34 2.738 8.794 7.449
313 HZ3 LYS 34 HZ3 LYS 34 1.082 9.125 7.368
314 H ASP 35 HN ASP 35 6.853 11.259 2.755
315 HA ASP 35 HA ASP 35 5.960 12.837 4.985
316 HB2 ASP 35 HB2 ASP 35 8.202 11.600 4.768
317 HB3 ASP 35 HB1 ASP 35 8.705 12.955 3.761
318 H TRP 36 HN TRP 36 7.191 13.456 1.740
319 HA TRP 36 HA TRP 36 6.708 16.325 2.083
320 HB2 TRP 36 HB2 TRP 36 8.896 15.382 1.099
321 HB3 TRP 36 HB1 TRP 36 7.950 15.018 -0.339
322 HD1 TRP 36 HD1 TRP 36 8.600 18.146 1.875
323 HE1 TRP 36 HE1 TRP 36 8.826 20.183 0.318
324 HE3 TRP 36 HE3 TRP 36 7.785 15.835 -2.611
325 HZ2 TRP 36 HZ2 TRP 36 8.667 20.736 -2.444
326 HZ3 TRP 36 HZ3 TRP 36 7.835 17.193 -4.660
327 HH2 TRP 36 HH2 TRP 36 8.265 19.588 -4.575
328 H ILE 37 HN ILE 37 4.399 15.236 2.159
329 HA ILE 37 HA ILE 37 3.195 14.527 -0.297
330 HB ILE 37 HB ILE 37 2.164 13.811 1.753
331 HG12 ILE 37 HG12 ILE 37 0.275 15.878 0.636
332 HG13 ILE 37 HG11 ILE 37 0.746 14.451 -0.288
333 HG21 ILE 37 HG21 ILE 37 2.831 15.574 3.243
334 HG22 ILE 37 HG22 ILE 37 1.075 15.419 3.291
335 HG23 ILE 37 HG23 ILE 37 1.820 16.738 2.388
336 HD11 ILE 37 HD11 ILE 37 -0.627 14.451 2.395
337 HD12 ILE 37 HD12 ILE 37 -0.150 13.021 1.482
338 HD13 ILE 37 HD13 ILE 37 -1.378 14.108 0.837
339 H SER 38 HN SER 38 2.515 15.747 -1.918
340 HA SER 38 HA SER 38 2.368 18.659 -1.527
341 HB2 SER 38 HB2 SER 38 2.687 17.280 -4.186
342 HB3 SER 38 HB1 SER 38 3.100 18.937 -3.750
343 HG SER 38 HG SER 38 4.467 17.261 -2.169
344 H LYS 39 HN LYS 39 0.856 19.750 -3.105
345 HA LYS 39 HA LYS 39 -1.243 20.196 -3.807
346 HB2 LYS 39 HB2 LYS 39 -0.610 18.313 -5.393
347 HB3 LYS 39 HB1 LYS 39 -1.531 17.243 -4.346
348 HG2 LYS 39 HG2 LYS 39 -3.497 18.780 -4.727
349 HG3 LYS 39 HG1 LYS 39 -2.537 19.543 -5.995
350 HD2 LYS 39 HD2 LYS 39 -3.987 17.868 -6.972
351 HD3 LYS 39 HD1 LYS 39 -2.306 17.347 -7.098
352 HE2 LYS 39 HE2 LYS 39 -2.577 15.856 -5.233
353 HE3 LYS 39 HE1 LYS 39 -4.200 16.457 -4.927
354 HZ1 LYS 39 HZ1 LYS 39 -4.096 14.294 -6.110
355 HZ2 LYS 39 HZ2 LYS 39 -3.395 15.088 -7.428
356 HZ3 LYS 39 HZ3 LYS 39 -4.962 15.485 -6.940
357 HA PRO 40 HA PRO 40 -3.177 18.525 0.060
358 HB2 PRO 40 HB2 PRO 40 -2.713 20.812 1.599
359 HB3 PRO 40 HB1 PRO 40 -1.755 19.330 1.636
360 HG2 PRO 40 HG2 PRO 40 -0.923 21.888 0.730
361 HG3 PRO 40 HG1 PRO 40 -0.032 20.364 0.594
362 HD2 PRO 40 HD2 PRO 40 -1.690 21.779 -1.426
363 HD3 PRO 40 HD1 PRO 40 -0.273 20.729 -1.657
Start of MODEL 9
1 H1 MET 1 HT1 MET 1 13.641 3.224 -19.313
2 H2 MET 1 HT2 MET 1 14.521 1.818 -18.996
3 H3 MET 1 HT3 MET 1 12.925 1.958 -18.458
4 HA MET 1 HA MET 1 12.104 1.994 -20.697
5 HB2 MET 1 HB2 MET 1 15.040 1.882 -21.348
6 HB3 MET 1 HB1 MET 1 13.819 1.365 -22.504
7 HG2 MET 1 HG2 MET 1 14.110 4.108 -21.299
8 HG3 MET 1 HG1 MET 1 14.492 3.631 -22.952
9 HE1 MET 1 HE1 MET 1 11.366 5.880 -23.533
10 HE2 MET 1 HE2 MET 1 13.018 5.522 -24.038
11 HE3 MET 1 HE3 MET 1 12.703 6.129 -22.412
12 H LYS 2 HN LYS 2 13.281 0.113 -18.441
13 HA LYS 2 HA LYS 2 12.928 -2.363 -19.996
14 HB2 LYS 2 HB2 LYS 2 15.203 -2.238 -19.151
15 HB3 LYS 2 HB1 LYS 2 14.619 -1.893 -17.530
16 HG2 LYS 2 HG2 LYS 2 13.503 -4.146 -17.571
17 HG3 LYS 2 HG1 LYS 2 14.385 -4.467 -19.065
18 HD2 LYS 2 HD2 LYS 2 15.753 -3.632 -16.517
19 HD3 LYS 2 HD1 LYS 2 15.437 -5.321 -16.918
20 HE2 LYS 2 HE2 LYS 2 16.760 -5.142 -18.919
21 HE3 LYS 2 HE1 LYS 2 16.978 -3.411 -18.665
22 HZ1 LYS 2 HZ1 LYS 2 18.179 -3.917 -16.620
23 HZ2 LYS 2 HZ2 LYS 2 18.924 -4.621 -17.963
24 HZ3 LYS 2 HZ3 LYS 2 18.002 -5.574 -16.913
25 H VAL 3 HN VAL 3 11.338 -3.703 -19.383
26 HA VAL 3 HA VAL 3 10.021 -3.161 -16.802
27 HB VAL 3 HB VAL 3 7.882 -3.813 -17.775
28 HG11 VAL 3 HG11 VAL 3 7.493 -1.865 -19.183
29 HG12 VAL 3 HG12 VAL 3 9.232 -1.664 -19.400
30 HG13 VAL 3 HG13 VAL 3 8.512 -1.454 -17.805
31 HG21 VAL 3 HG21 VAL 3 8.585 -5.357 -19.477
32 HG22 VAL 3 HG22 VAL 3 9.409 -4.075 -20.362
33 HG23 VAL 3 HG23 VAL 3 7.651 -4.065 -20.233
34 H HIS 4 HN HIS 4 8.700 -5.109 -16.064
35 HA HIS 4 HA HIS 4 10.447 -7.409 -16.122
36 HB2 HIS 4 HB2 HIS 4 8.090 -6.571 -14.497
37 HB3 HIS 4 HB1 HIS 4 8.503 -8.280 -14.555
38 HD1 HIS 4 HD1 HIS 4 10.223 -9.036 -12.954
39 HD2 HIS 4 HD2 HIS 4 10.362 -4.927 -13.545
40 HE1 HIS 4 HE1 HIS 4 11.883 -8.170 -11.283
41 HE2 HIS 4 HE2 HIS 4 12.138 -5.732 -11.846
42 H ARG 5 HN ARG 5 9.741 -7.362 -18.585
43 HA ARG 5 HA ARG 5 8.687 -8.379 -20.328
44 HB2 ARG 5 HB2 ARG 5 9.753 -10.279 -18.900
45 HB3 ARG 5 HB1 ARG 5 8.091 -10.676 -18.492
46 HG2 ARG 5 HG2 ARG 5 7.556 -11.069 -20.802
47 HG3 ARG 5 HG1 ARG 5 9.153 -10.510 -21.303
48 HD2 ARG 5 HD2 ARG 5 10.032 -12.400 -19.764
49 HD3 ARG 5 HD1 ARG 5 8.393 -13.041 -19.886
50 HE ARG 5 HE ARG 5 9.268 -12.495 -22.471
51 HH11 ARG 5 HH11 ARG 5 10.039 -14.693 -19.852
52 HH12 ARG 5 HH12 ARG 5 10.727 -15.891 -20.901
53 HH21 ARG 5 HH21 ARG 5 10.158 -14.063 -23.845
54 HH22 ARG 5 HH22 ARG 5 10.803 -15.529 -23.176
55 H MET 6 HN MET 6 6.990 -6.673 -19.883
56 HA MET 6 HA MET 6 4.832 -5.998 -19.854
57 HB2 MET 6 HB2 MET 6 4.543 -8.871 -20.614
58 HB3 MET 6 HB1 MET 6 3.101 -7.923 -20.268
59 HG2 MET 6 HG2 MET 6 5.191 -7.280 -22.339
60 HG3 MET 6 HG1 MET 6 3.595 -7.959 -22.648
61 HE1 MET 6 HE1 MET 6 3.224 -5.972 -24.448
62 HE2 MET 6 HE2 MET 6 4.812 -5.324 -24.046
63 HE3 MET 6 HE3 MET 6 3.406 -4.264 -24.046
64 HA PRO 7 HA PRO 7 4.343 -7.106 -15.449
65 HB2 PRO 7 HB2 PRO 7 3.982 -4.270 -15.013
66 HB3 PRO 7 HB1 PRO 7 5.274 -5.319 -14.436
67 HG2 PRO 7 HG2 PRO 7 5.646 -3.355 -16.295
68 HG3 PRO 7 HG1 PRO 7 6.649 -4.812 -16.190
69 HD2 PRO 7 HD2 PRO 7 4.395 -4.193 -18.051
70 HD3 PRO 7 HD1 PRO 7 5.931 -5.026 -18.379
71 H LYS 8 HN LYS 8 2.455 -7.512 -14.479
72 HA LYS 8 HA LYS 8 0.096 -5.945 -15.244
73 HB2 LYS 8 HB2 LYS 8 0.470 -8.914 -15.354
74 HB3 LYS 8 HB1 LYS 8 -1.119 -8.262 -14.976
75 HG2 LYS 8 HG2 LYS 8 0.442 -7.471 -17.423
76 HG3 LYS 8 HG1 LYS 8 -0.706 -8.812 -17.391
77 HD2 LYS 8 HD2 LYS 8 -2.509 -7.327 -16.820
78 HD3 LYS 8 HD1 LYS 8 -1.396 -5.972 -16.637
79 HE2 LYS 8 HE2 LYS 8 -2.594 -5.879 -18.766
80 HE3 LYS 8 HE1 LYS 8 -0.858 -6.069 -19.001
81 HZ1 LYS 8 HZ1 LYS 8 -1.173 -8.395 -19.453
82 HZ2 LYS 8 HZ2 LYS 8 -2.195 -7.509 -20.464
83 HZ3 LYS 8 HZ3 LYS 8 -2.825 -8.298 -19.109
84 H GLY 9 HN GLY 9 -1.806 -6.655 -13.721
85 HA2 GLY 9 HA2 GLY 9 -0.788 -6.298 -11.010
86 HA3 GLY 9 HA1 GLY 9 -2.459 -6.112 -11.532
87 H VAL 10 HN VAL 10 -1.184 -7.698 -9.312
88 HA VAL 10 HA VAL 10 -1.488 -10.444 -10.052
89 HB VAL 10 HB VAL 10 -1.316 -10.953 -7.646
90 HG11 VAL 10 HG11 VAL 10 0.688 -10.724 -9.007
91 HG12 VAL 10 HG12 VAL 10 0.983 -10.177 -7.358
92 HG13 VAL 10 HG13 VAL 10 0.746 -8.999 -8.647
93 HG21 VAL 10 HG21 VAL 10 -1.005 -7.988 -7.205
94 HG22 VAL 10 HG22 VAL 10 -0.998 -9.263 -5.990
95 HG23 VAL 10 HG23 VAL 10 -2.483 -8.877 -6.858
96 H VAL 11 HN VAL 11 -3.258 -11.655 -10.097
97 HA VAL 11 HA VAL 11 -5.744 -10.508 -9.010
98 HB VAL 11 HB VAL 11 -6.908 -12.000 -10.666
99 HG11 VAL 11 HG11 VAL 11 -6.558 -9.602 -11.085
100 HG12 VAL 11 HG12 VAL 11 -6.524 -10.547 -12.575
101 HG13 VAL 11 HG13 VAL 11 -5.018 -9.970 -11.858
102 HG21 VAL 11 HG21 VAL 11 -4.108 -12.362 -11.740
103 HG22 VAL 11 HG22 VAL 11 -5.588 -12.840 -12.568
104 HG23 VAL 11 HG23 VAL 11 -5.140 -13.619 -11.052
105 H LEU 12 HN LEU 12 -3.587 -12.367 -7.869
106 HA LEU 12 HA LEU 12 -4.802 -14.894 -7.458
107 HB2 LEU 12 HB2 LEU 12 -2.401 -14.591 -7.239
108 HB3 LEU 12 HB1 LEU 12 -2.636 -13.467 -5.915
109 HG LEU 12 HG LEU 12 -3.666 -15.352 -4.601
110 HD11 LEU 12 HD11 LEU 12 -3.233 -17.624 -5.331
111 HD12 LEU 12 HD12 LEU 12 -2.538 -17.028 -6.839
112 HD13 LEU 12 HD13 LEU 12 -4.250 -16.782 -6.496
113 HD21 LEU 12 HD21 LEU 12 -0.810 -15.679 -5.520
114 HD22 LEU 12 HD22 LEU 12 -1.509 -16.399 -4.070
115 HD23 LEU 12 HD23 LEU 12 -1.376 -14.647 -4.209
116 H VAL 13 HN VAL 13 -6.274 -15.523 -6.022
117 HA VAL 13 HA VAL 13 -7.400 -13.534 -4.223
118 HB VAL 13 HB VAL 13 -8.344 -16.369 -4.673
119 HG11 VAL 13 HG11 VAL 13 -9.717 -13.937 -3.522
120 HG12 VAL 13 HG12 VAL 13 -9.219 -15.384 -2.645
121 HG13 VAL 13 HG13 VAL 13 -10.502 -15.481 -3.851
122 HG21 VAL 13 HG21 VAL 13 -9.970 -15.457 -6.244
123 HG22 VAL 13 HG22 VAL 13 -8.321 -15.159 -6.793
124 HG23 VAL 13 HG23 VAL 13 -9.253 -13.852 -6.065
125 H GLY 14 HN GLY 14 -6.071 -13.337 -2.490
126 HA2 GLY 14 HA2 GLY 14 -5.916 -14.203 -0.194
127 HA3 GLY 14 HA1 GLY 14 -5.581 -15.779 -0.901
128 H LYS 15 HN LYS 15 -3.899 -14.611 0.977
129 HA LYS 15 HA LYS 15 -1.722 -14.167 1.398
130 HB2 LYS 15 HB2 LYS 15 -1.365 -15.162 -1.433
131 HB3 LYS 15 HB1 LYS 15 -0.048 -14.855 -0.311
132 HG2 LYS 15 HG2 LYS 15 -0.938 -16.556 1.201
133 HG3 LYS 15 HG1 LYS 15 -2.253 -16.873 0.066
134 HD2 LYS 15 HD2 LYS 15 -0.568 -18.545 -0.261
135 HD3 LYS 15 HD1 LYS 15 -0.530 -17.457 -1.649
136 HE2 LYS 15 HE2 LYS 15 1.390 -16.305 -0.739
137 HE3 LYS 15 HE1 LYS 15 1.310 -17.269 0.734
138 HZ1 LYS 15 HZ1 LYS 15 1.752 -19.246 -0.611
139 HZ2 LYS 15 HZ2 LYS 15 3.006 -18.117 -0.722
140 HZ3 LYS 15 HZ3 LYS 15 1.899 -18.279 -1.990
141 H ALA 16 HN ALA 16 -3.489 -12.107 0.228
142 HA ALA 16 HA ALA 16 -2.034 -10.487 -1.579
143 HB1 ALA 16 HB1 ALA 16 -4.184 -9.613 0.336
144 HB2 ALA 16 HB2 ALA 16 -4.483 -10.354 -1.234
145 HB3 ALA 16 HB3 ALA 16 -3.675 -8.791 -1.138
146 H TRP 17 HN TRP 17 -1.775 -10.985 1.801
147 HA TRP 17 HA TRP 17 -0.489 -8.463 2.353
148 HB2 TRP 17 HB2 TRP 17 -1.854 -9.916 4.002
149 HB3 TRP 17 HB1 TRP 17 -0.386 -10.878 4.144
150 HD1 TRP 17 HD1 TRP 17 -1.578 -7.245 4.692
151 HE1 TRP 17 HE1 TRP 17 -0.146 -6.203 6.556
152 HE3 TRP 17 HE3 TRP 17 1.698 -11.099 5.437
153 HZ2 TRP 17 HZ2 TRP 17 2.083 -6.923 8.127
154 HZ3 TRP 17 HZ3 TRP 17 3.449 -10.840 7.141
155 HH2 TRP 17 HH2 TRP 17 3.637 -8.796 8.456
156 H GLU 18 HN GLU 18 0.440 -11.766 1.626
157 HA GLU 18 HA GLU 18 3.192 -11.479 2.279
158 HB2 GLU 18 HB2 GLU 18 1.710 -13.438 0.531
159 HB3 GLU 18 HB1 GLU 18 3.446 -13.524 0.792
160 HG2 GLU 18 HG2 GLU 18 2.901 -13.604 3.276
161 HG3 GLU 18 HG1 GLU 18 1.240 -13.914 2.775
162 H ILE 19 HN ILE 19 1.362 -11.239 -0.748
163 HA ILE 19 HA ILE 19 3.598 -10.771 -2.398
164 HB ILE 19 HB ILE 19 1.401 -11.494 -3.265
165 HG12 ILE 19 HG12 ILE 19 1.357 -9.944 -5.252
166 HG13 ILE 19 HG11 ILE 19 2.545 -8.948 -4.420
167 HG21 ILE 19 HG21 ILE 19 0.517 -8.651 -2.796
168 HG22 ILE 19 HG22 ILE 19 -0.013 -10.051 -1.866
169 HG23 ILE 19 HG23 ILE 19 -0.416 -9.927 -3.579
170 HD11 ILE 19 HD11 ILE 19 3.557 -10.450 -6.069
171 HD12 ILE 19 HD12 ILE 19 2.933 -11.834 -5.172
172 HD13 ILE 19 HD13 ILE 19 4.129 -10.770 -4.432
173 H ARG 20 HN ARG 20 1.576 -8.607 -0.478
174 HA ARG 20 HA ARG 20 2.594 -6.216 -1.643
175 HB2 ARG 20 HB2 ARG 20 1.306 -5.041 -0.115
176 HB3 ARG 20 HB1 ARG 20 0.430 -6.560 -0.228
177 HG2 ARG 20 HG2 ARG 20 0.959 -7.188 1.885
178 HG3 ARG 20 HG1 ARG 20 2.501 -6.334 1.876
179 HD2 ARG 20 HD2 ARG 20 1.058 -5.219 3.412
180 HD3 ARG 20 HD1 ARG 20 1.223 -4.191 1.990
181 HE ARG 20 HE ARG 20 -1.028 -5.691 1.540
182 HH11 ARG 20 HH11 ARG 20 0.058 -3.450 3.988
183 HH12 ARG 20 HH12 ARG 20 -1.540 -2.919 4.397
184 HH21 ARG 20 HH21 ARG 20 -3.125 -4.962 2.025
185 HH22 ARG 20 HH22 ARG 20 -3.355 -3.753 3.245
186 H ALA 21 HN ALA 21 3.614 -8.289 0.987
187 HA ALA 21 HA ALA 21 5.484 -6.461 2.120
188 HB1 ALA 21 HB1 ALA 21 4.559 -8.377 3.357
189 HB2 ALA 21 HB2 ALA 21 6.327 -8.376 3.348
190 HB3 ALA 21 HB3 ALA 21 5.438 -9.471 2.285
191 H LYS 22 HN LYS 22 5.676 -9.067 -0.235
192 HA LYS 22 HA LYS 22 8.484 -8.947 -0.627
193 HB2 LYS 22 HB2 LYS 22 6.887 -10.854 -1.203
194 HB3 LYS 22 HB1 LYS 22 6.451 -9.923 -2.629
195 HG2 LYS 22 HG2 LYS 22 8.580 -10.149 -3.571
196 HG3 LYS 22 HG1 LYS 22 9.298 -10.660 -2.042
197 HD2 LYS 22 HD2 LYS 22 8.079 -12.757 -2.137
198 HD3 LYS 22 HD1 LYS 22 7.251 -12.236 -3.604
199 HE2 LYS 22 HE2 LYS 22 9.036 -13.732 -4.204
200 HE3 LYS 22 HE1 LYS 22 9.442 -12.104 -4.747
201 HZ1 LYS 22 HZ1 LYS 22 10.481 -13.431 -2.306
202 HZ2 LYS 22 HZ2 LYS 22 10.856 -11.860 -2.797
203 HZ3 LYS 22 HZ3 LYS 22 11.337 -13.175 -3.740
204 H LEU 23 HN LEU 23 5.759 -7.262 -1.970
205 HA LEU 23 HA LEU 23 7.270 -6.058 -4.116
206 HB2 LEU 23 HB2 LEU 23 4.467 -6.143 -3.276
207 HB3 LEU 23 HB1 LEU 23 4.967 -4.568 -3.858
208 HG LEU 23 HG LEU 23 5.650 -5.522 -5.988
209 HD11 LEU 23 HD11 LEU 23 4.777 -8.159 -4.807
210 HD12 LEU 23 HD12 LEU 23 6.418 -7.701 -5.268
211 HD13 LEU 23 HD13 LEU 23 5.172 -7.888 -6.504
212 HD21 LEU 23 HD21 LEU 23 3.339 -4.803 -5.738
213 HD22 LEU 23 HD22 LEU 23 2.890 -6.405 -5.146
214 HD23 LEU 23 HD23 LEU 23 3.445 -6.202 -6.808
215 H LYS 24 HN LYS 24 6.662 -5.388 -0.814
216 HA LYS 24 HA LYS 24 7.126 -2.545 -1.060
217 HB2 LYS 24 HB2 LYS 24 5.586 -3.432 0.665
218 HB3 LYS 24 HB1 LYS 24 6.933 -4.265 1.426
219 HG2 LYS 24 HG2 LYS 24 7.688 -2.405 2.427
220 HG3 LYS 24 HG1 LYS 24 7.305 -1.376 1.045
221 HD2 LYS 24 HD2 LYS 24 5.164 -2.506 2.827
222 HD3 LYS 24 HD1 LYS 24 5.990 -0.996 3.209
223 HE2 LYS 24 HE2 LYS 24 5.320 -0.122 0.988
224 HE3 LYS 24 HE1 LYS 24 4.404 -1.604 0.722
225 HZ1 LYS 24 HZ1 LYS 24 3.086 0.329 1.547
226 HZ2 LYS 24 HZ2 LYS 24 3.922 0.211 3.013
227 HZ3 LYS 24 HZ3 LYS 24 2.952 -1.068 2.490
228 H GLU 25 HN GLU 25 8.978 -5.409 -0.315
229 HA GLU 25 HA GLU 25 11.234 -3.915 0.680
230 HB2 GLU 25 HB2 GLU 25 12.410 -6.169 0.469
231 HB3 GLU 25 HB1 GLU 25 11.067 -6.074 1.596
232 HG2 GLU 25 HG2 GLU 25 9.618 -7.195 0.070
233 HG3 GLU 25 HG1 GLU 25 10.837 -7.141 -1.201
234 H TYR 26 HN TYR 26 10.352 -5.537 -2.327
235 HA TYR 26 HA TYR 26 12.835 -4.797 -3.608
236 HB2 TYR 26 HB2 TYR 26 11.856 -6.905 -4.236
237 HB3 TYR 26 HB1 TYR 26 10.325 -6.135 -4.631
238 HD1 TYR 26 HD1 TYR 26 13.931 -5.886 -5.605
239 HD2 TYR 26 HD2 TYR 26 9.870 -5.799 -6.861
240 HE1 TYR 26 HE1 TYR 26 14.663 -5.622 -7.938
241 HE2 TYR 26 HE2 TYR 26 10.587 -5.541 -9.198
242 HH TYR 26 HH TYR 26 13.955 -5.774 -10.135
243 H GLY 27 HN GLY 27 9.489 -3.706 -3.584
244 HA2 GLY 27 HA2 GLY 27 10.276 -1.488 -5.369
245 HA3 GLY 27 HA1 GLY 27 8.655 -2.164 -5.316
246 H ARG 28 HN ARG 28 11.020 -0.926 -2.991
247 HA ARG 28 HA ARG 28 9.175 0.019 -1.128
248 HB2 ARG 28 HB2 ARG 28 11.098 1.530 -0.393
249 HB3 ARG 28 HB1 ARG 28 11.396 -0.201 -0.381
250 HG2 ARG 28 HG2 ARG 28 12.503 0.044 -2.596
251 HG3 ARG 28 HG1 ARG 28 12.325 1.791 -2.432
252 HD2 ARG 28 HD2 ARG 28 13.706 1.815 -0.482
253 HD3 ARG 28 HD1 ARG 28 13.753 0.052 -0.429
254 HE ARG 28 HE ARG 28 15.141 1.775 -2.360
255 HH11 ARG 28 HH11 ARG 28 14.558 -1.406 -1.027
256 HH12 ARG 28 HH12 ARG 28 15.928 -2.127 -1.807
257 HH21 ARG 28 HH21 ARG 28 16.951 0.821 -3.404
258 HH22 ARG 28 HH22 ARG 28 17.271 -0.867 -3.172
259 H THR 29 HN THR 29 7.584 1.372 -1.600
260 HA THR 29 HA THR 29 8.045 3.608 -3.423
261 HB THR 29 HB THR 29 5.370 3.375 -2.277
262 HG1 THR 29 HG1 THR 29 6.599 1.131 -3.523
263 HG21 THR 29 HG21 THR 29 5.889 4.675 -4.280
264 HG22 THR 29 HG22 THR 29 4.736 3.389 -4.650
265 HG23 THR 29 HG23 THR 29 6.434 3.214 -5.102
266 H PHE 30 HN PHE 30 8.820 3.211 -0.455
267 HA PHE 30 HA PHE 30 7.807 5.803 0.489
268 HB2 PHE 30 HB2 PHE 30 7.973 4.984 2.781
269 HB3 PHE 30 HB1 PHE 30 6.929 3.923 1.845
270 HD1 PHE 30 HD2 PHE 30 7.924 1.737 0.970
271 HD2 PHE 30 HD1 PHE 30 9.825 4.139 3.927
272 HE1 PHE 30 HE2 PHE 30 9.286 -0.193 1.659
273 HE2 PHE 30 HE1 PHE 30 11.194 2.214 4.616
274 HZ PHE 30 HZ PHE 30 10.924 0.043 3.482
275 H GLN 31 HN GLN 31 9.294 7.106 1.638
276 HA GLN 31 HA GLN 31 11.293 8.089 2.066
277 HB2 GLN 31 HB2 GLN 31 11.995 5.198 2.243
278 HB3 GLN 31 HB1 GLN 31 13.308 6.365 2.178
279 HG2 GLN 31 HG2 GLN 31 12.381 7.505 4.135
280 HG3 GLN 31 HG1 GLN 31 11.087 6.309 4.205
281 HE21 GLN 31 HE21 GLN 31 11.513 4.285 5.013
282 HE22 GLN 31 HE22 GLN 31 13.006 3.854 5.767
283 H TYR 32 HN TYR 32 10.376 7.567 -0.735
284 HA TYR 32 HA TYR 32 12.609 6.996 -2.377
285 HB2 TYR 32 HB2 TYR 32 10.130 7.034 -3.041
286 HB3 TYR 32 HB1 TYR 32 10.312 8.778 -3.199
287 HD1 TYR 32 HD2 TYR 32 11.577 5.527 -4.468
288 HD2 TYR 32 HD1 TYR 32 11.244 9.715 -5.159
289 HE1 TYR 32 HE2 TYR 32 12.436 5.213 -6.749
290 HE2 TYR 32 HE1 TYR 32 12.103 9.406 -7.443
291 HH TYR 32 HH TYR 32 12.363 6.343 -8.910
292 H VAL 33 HN VAL 33 11.425 9.958 -0.915
293 HA VAL 33 HA VAL 33 13.190 11.666 -2.397
294 HB VAL 33 HB VAL 33 12.472 13.442 -0.894
295 HG11 VAL 33 HG11 VAL 33 10.208 11.654 -1.767
296 HG12 VAL 33 HG12 VAL 33 11.014 12.883 -2.744
297 HG13 VAL 33 HG13 VAL 33 10.055 13.359 -1.342
298 HG21 VAL 33 HG21 VAL 33 10.684 12.812 0.839
299 HG22 VAL 33 HG22 VAL 33 12.372 12.497 1.239
300 HG23 VAL 33 HG23 VAL 33 11.331 11.177 0.707
301 H LYS 34 HN LYS 34 13.569 9.614 0.271
302 HA LYS 34 HA LYS 34 15.890 11.079 1.284
303 HB2 LYS 34 HB2 LYS 34 14.817 8.485 2.382
304 HB3 LYS 34 HB1 LYS 34 15.823 9.675 3.195
305 HG2 LYS 34 HG2 LYS 34 13.668 11.184 2.631
306 HG3 LYS 34 HG1 LYS 34 12.911 9.602 2.809
307 HD2 LYS 34 HD2 LYS 34 12.870 10.568 4.961
308 HD3 LYS 34 HD1 LYS 34 14.191 9.400 4.994
309 HE2 LYS 34 HE2 LYS 34 15.797 11.009 5.132
310 HE3 LYS 34 HE1 LYS 34 14.857 12.178 4.205
311 HZ1 LYS 34 HZ1 LYS 34 14.244 11.394 6.999
312 HZ2 LYS 34 HZ2 LYS 34 13.510 12.626 6.105
313 HZ3 LYS 34 HZ3 LYS 34 15.127 12.770 6.568
314 H ASP 35 HN ASP 35 14.989 8.248 -0.505
315 HA ASP 35 HA ASP 35 17.591 7.030 -0.413
316 HB2 ASP 35 HB2 ASP 35 15.632 5.615 -0.641
317 HB3 ASP 35 HB1 ASP 35 15.139 6.463 -2.100
318 H TRP 36 HN TRP 36 15.801 9.146 -2.566
319 HA TRP 36 HA TRP 36 18.124 9.201 -4.371
320 HB2 TRP 36 HB2 TRP 36 15.970 8.520 -5.397
321 HB3 TRP 36 HB1 TRP 36 15.287 10.075 -4.937
322 HD1 TRP 36 HD1 TRP 36 18.079 8.655 -7.208
323 HE1 TRP 36 HE1 TRP 36 18.420 10.281 -9.176
324 HE3 TRP 36 HE3 TRP 36 14.849 12.346 -5.767
325 HZ2 TRP 36 HZ2 TRP 36 17.454 12.808 -9.998
326 HZ3 TRP 36 HZ3 TRP 36 14.618 14.336 -7.197
327 HH2 TRP 36 HH2 TRP 36 15.894 14.558 -9.267
328 H ILE 37 HN ILE 37 19.366 10.937 -4.320
329 HA ILE 37 HA ILE 37 18.631 13.228 -2.758
330 HB ILE 37 HB ILE 37 20.914 12.629 -2.608
331 HG12 ILE 37 HG12 ILE 37 20.714 15.022 -4.449
332 HG13 ILE 37 HG11 ILE 37 20.535 15.053 -2.699
333 HG21 ILE 37 HG21 ILE 37 22.406 12.550 -4.603
334 HG22 ILE 37 HG22 ILE 37 20.967 12.684 -5.615
335 HG23 ILE 37 HG23 ILE 37 21.178 11.286 -4.563
336 HD11 ILE 37 HD11 ILE 37 22.713 15.855 -3.321
337 HD12 ILE 37 HD12 ILE 37 23.030 14.386 -4.244
338 HD13 ILE 37 HD13 ILE 37 22.878 14.309 -2.487
339 H SER 38 HN SER 38 17.718 15.041 -3.437
340 HA SER 38 HA SER 38 17.080 15.347 -6.242
341 HB2 SER 38 HB2 SER 38 16.401 17.225 -3.970
342 HB3 SER 38 HB1 SER 38 15.588 17.075 -5.529
343 HG SER 38 HG SER 38 15.458 14.697 -4.574
344 H LYS 39 HN LYS 39 17.913 16.827 -7.606
345 HA LYS 39 HA LYS 39 19.362 18.305 -8.512
346 HB2 LYS 39 HB2 LYS 39 18.265 19.912 -7.011
347 HB3 LYS 39 HB1 LYS 39 19.399 19.501 -5.732
348 HG2 LYS 39 HG2 LYS 39 19.984 21.604 -6.812
349 HG3 LYS 39 HG1 LYS 39 21.235 20.387 -7.060
350 HD2 LYS 39 HD2 LYS 39 20.372 19.940 -9.296
351 HD3 LYS 39 HD1 LYS 39 19.095 21.132 -9.045
352 HE2 LYS 39 HE2 LYS 39 20.751 22.896 -8.839
353 HE3 LYS 39 HE1 LYS 39 22.056 21.722 -9.006
354 HZ1 LYS 39 HZ1 LYS 39 20.020 22.361 -11.071
355 HZ2 LYS 39 HZ2 LYS 39 21.273 21.231 -11.237
356 HZ3 LYS 39 HZ3 LYS 39 21.633 22.872 -11.077
357 HA PRO 40 HA PRO 40 23.013 16.062 -6.856
358 HB2 PRO 40 HB2 PRO 40 23.310 14.742 -9.366
359 HB3 PRO 40 HB1 PRO 40 22.775 14.043 -7.839
360 HG2 PRO 40 HG2 PRO 40 21.192 14.335 -10.094
361 HG3 PRO 40 HG1 PRO 40 20.582 14.127 -8.442
362 HD2 PRO 40 HD2 PRO 40 20.890 16.634 -10.049
363 HD3 PRO 40 HD1 PRO 40 19.594 16.159 -8.927
Start of MODEL 10
1 H1 MET 1 HT1 MET 1 -5.909 -43.515 0.658
2 H2 MET 1 HT2 MET 1 -6.928 -44.828 0.976
3 H3 MET 1 HT3 MET 1 -5.369 -44.797 1.618
4 HA MET 1 HA MET 1 -7.449 -42.815 2.288
5 HB2 MET 1 HB2 MET 1 -6.739 -45.440 3.548
6 HB3 MET 1 HB1 MET 1 -7.320 -44.117 4.550
7 HG2 MET 1 HG2 MET 1 -9.218 -45.367 4.070
8 HG3 MET 1 HG1 MET 1 -9.299 -43.997 2.965
9 HE1 MET 1 HE1 MET 1 -11.137 -45.306 1.567
10 HE2 MET 1 HE2 MET 1 -11.015 -46.702 2.637
11 HE3 MET 1 HE3 MET 1 -10.895 -46.916 0.891
12 H LYS 2 HN LYS 2 -4.777 -42.199 1.570
13 HA LYS 2 HA LYS 2 -3.793 -41.253 4.166
14 HB2 LYS 2 HB2 LYS 2 -2.363 -42.917 2.198
15 HB3 LYS 2 HB1 LYS 2 -1.471 -41.512 2.759
16 HG2 LYS 2 HG2 LYS 2 -1.996 -42.294 5.109
17 HG3 LYS 2 HG1 LYS 2 -2.517 -43.812 4.373
18 HD2 LYS 2 HD2 LYS 2 -0.285 -44.009 3.307
19 HD3 LYS 2 HD1 LYS 2 0.217 -42.547 4.158
20 HE2 LYS 2 HE2 LYS 2 -0.329 -43.706 6.300
21 HE3 LYS 2 HE1 LYS 2 -0.606 -45.176 5.372
22 HZ1 LYS 2 HZ1 LYS 2 1.928 -43.713 5.768
23 HZ2 LYS 2 HZ2 LYS 2 1.741 -44.826 4.516
24 HZ3 LYS 2 HZ3 LYS 2 1.579 -45.332 6.120
25 H VAL 3 HN VAL 3 -2.173 -39.469 3.881
26 HA VAL 3 HA VAL 3 -2.371 -37.935 1.435
27 HB VAL 3 HB VAL 3 -4.407 -37.326 2.815
28 HG11 VAL 3 HG11 VAL 3 -2.368 -36.061 4.633
29 HG12 VAL 3 HG12 VAL 3 -3.382 -37.452 5.022
30 HG13 VAL 3 HG13 VAL 3 -4.116 -35.872 4.741
31 HG21 VAL 3 HG21 VAL 3 -3.583 -35.837 1.092
32 HG22 VAL 3 HG22 VAL 3 -2.433 -35.127 2.225
33 HG23 VAL 3 HG23 VAL 3 -4.166 -34.906 2.470
34 H HIS 4 HN HIS 4 -0.825 -36.174 1.402
35 HA HIS 4 HA HIS 4 1.404 -36.665 3.238
36 HB2 HIS 4 HB2 HIS 4 1.254 -35.321 0.535
37 HB3 HIS 4 HB1 HIS 4 2.697 -35.268 1.544
38 HD1 HIS 4 HD1 HIS 4 1.803 -36.896 -1.311
39 HD2 HIS 4 HD2 HIS 4 2.988 -38.354 2.402
40 HE1 HIS 4 HE1 HIS 4 2.652 -39.224 -1.733
41 HE2 HIS 4 HE2 HIS 4 3.409 -40.074 0.516
42 H ARG 5 HN ARG 5 2.780 -34.418 3.379
43 HA ARG 5 HA ARG 5 1.189 -32.783 5.078
44 HB2 ARG 5 HB2 ARG 5 3.782 -33.296 5.063
45 HB3 ARG 5 HB1 ARG 5 3.831 -31.847 4.066
46 HG2 ARG 5 HG2 ARG 5 3.036 -30.490 5.782
47 HG3 ARG 5 HG1 ARG 5 2.415 -31.862 6.704
48 HD2 ARG 5 HD2 ARG 5 5.318 -31.213 6.213
49 HD3 ARG 5 HD1 ARG 5 4.444 -30.971 7.724
50 HE ARG 5 HE ARG 5 4.092 -33.579 7.366
51 HH11 ARG 5 HH11 ARG 5 7.005 -31.667 6.970
52 HH12 ARG 5 HH12 ARG 5 8.058 -32.967 7.432
53 HH21 ARG 5 HH21 ARG 5 5.499 -35.282 7.949
54 HH22 ARG 5 HH22 ARG 5 7.213 -35.000 7.981
55 H MET 6 HN MET 6 2.621 -32.330 1.875
56 HA MET 6 HA MET 6 0.882 -29.975 1.529
57 HB2 MET 6 HB2 MET 6 3.314 -29.443 1.489
58 HB3 MET 6 HB1 MET 6 3.503 -30.532 0.122
59 HG2 MET 6 HG2 MET 6 1.978 -29.129 -1.191
60 HG3 MET 6 HG1 MET 6 1.838 -28.028 0.178
61 HE1 MET 6 HE1 MET 6 2.547 -25.944 -1.216
62 HE2 MET 6 HE2 MET 6 2.638 -26.945 -2.665
63 HE3 MET 6 HE3 MET 6 3.977 -25.876 -2.244
64 HA PRO 7 HA PRO 7 -0.639 -32.999 -1.522
65 HB2 PRO 7 HB2 PRO 7 -3.258 -32.432 -1.237
66 HB3 PRO 7 HB1 PRO 7 -2.392 -33.473 -0.102
67 HG2 PRO 7 HG2 PRO 7 -3.240 -30.636 0.192
68 HG3 PRO 7 HG1 PRO 7 -3.149 -31.915 1.414
69 HD2 PRO 7 HD2 PRO 7 -1.263 -29.895 1.017
70 HD3 PRO 7 HD1 PRO 7 -0.999 -31.393 1.929
71 H LYS 8 HN LYS 8 0.436 -31.663 -3.081
72 HA LYS 8 HA LYS 8 0.449 -30.552 -5.052
73 HB2 LYS 8 HB2 LYS 8 -2.410 -30.955 -4.606
74 HB3 LYS 8 HB1 LYS 8 -2.063 -29.507 -5.536
75 HG2 LYS 8 HG2 LYS 8 -0.587 -31.026 -6.977
76 HG3 LYS 8 HG1 LYS 8 -1.451 -32.354 -6.207
77 HD2 LYS 8 HD2 LYS 8 -3.524 -31.645 -7.062
78 HD3 LYS 8 HD1 LYS 8 -2.880 -30.068 -7.520
79 HE2 LYS 8 HE2 LYS 8 -1.462 -31.148 -9.203
80 HE3 LYS 8 HE1 LYS 8 -2.137 -32.715 -8.756
81 HZ1 LYS 8 HZ1 LYS 8 -4.282 -32.010 -9.495
82 HZ2 LYS 8 HZ2 LYS 8 -3.173 -31.727 -10.736
83 HZ3 LYS 8 HZ3 LYS 8 -3.729 -30.439 -9.795
84 H GLY 9 HN GLY 9 -0.320 -28.287 -6.011
85 HA2 GLY 9 HA2 GLY 9 0.031 -26.321 -3.830
86 HA3 GLY 9 HA1 GLY 9 0.785 -26.159 -5.410
87 H VAL 10 HN VAL 10 -1.343 -24.666 -3.725
88 HA VAL 10 HA VAL 10 -3.594 -24.656 -5.544
89 HB VAL 10 HB VAL 10 -4.560 -22.966 -4.022
90 HG11 VAL 10 HG11 VAL 10 -4.882 -24.459 -2.106
91 HG12 VAL 10 HG12 VAL 10 -3.517 -25.437 -2.641
92 HG13 VAL 10 HG13 VAL 10 -4.970 -25.338 -3.634
93 HG21 VAL 10 HG21 VAL 10 -2.486 -21.906 -3.280
94 HG22 VAL 10 HG22 VAL 10 -2.042 -23.372 -2.411
95 HG23 VAL 10 HG23 VAL 10 -3.453 -22.440 -1.905
96 H VAL 11 HN VAL 11 -4.316 -22.846 -6.706
97 HA VAL 11 HA VAL 11 -2.225 -20.832 -7.237
98 HB VAL 11 HB VAL 11 -3.253 -20.639 -9.540
99 HG11 VAL 11 HG11 VAL 11 -2.005 -23.288 -8.795
100 HG12 VAL 11 HG12 VAL 11 -1.140 -21.797 -9.171
101 HG13 VAL 11 HG13 VAL 11 -2.081 -22.607 -10.421
102 HG21 VAL 11 HG21 VAL 11 -4.566 -22.511 -10.370
103 HG22 VAL 11 HG22 VAL 11 -5.390 -21.741 -9.016
104 HG23 VAL 11 HG23 VAL 11 -4.537 -23.265 -8.775
105 H LEU 12 HN LEU 12 -4.201 -20.565 -5.242
106 HA LEU 12 HA LEU 12 -6.418 -19.030 -6.145
107 HB2 LEU 12 HB2 LEU 12 -5.210 -19.684 -3.511
108 HB3 LEU 12 HB1 LEU 12 -6.244 -18.273 -3.591
109 HG LEU 12 HG LEU 12 -7.996 -19.821 -4.640
110 HD11 LEU 12 HD11 LEU 12 -7.812 -22.166 -4.141
111 HD12 LEU 12 HD12 LEU 12 -6.237 -21.919 -3.391
112 HD13 LEU 12 HD13 LEU 12 -6.437 -21.665 -5.126
113 HD21 LEU 12 HD21 LEU 12 -7.160 -20.226 -1.773
114 HD22 LEU 12 HD22 LEU 12 -8.750 -20.588 -2.446
115 HD23 LEU 12 HD23 LEU 12 -8.174 -18.922 -2.390
116 H VAL 13 HN VAL 13 -6.810 -16.771 -5.603
117 HA VAL 13 HA VAL 13 -4.476 -15.149 -6.240
118 HB VAL 13 HB VAL 13 -6.165 -13.283 -6.443
119 HG11 VAL 13 HG11 VAL 13 -6.568 -15.736 -8.148
120 HG12 VAL 13 HG12 VAL 13 -5.353 -14.481 -8.385
121 HG13 VAL 13 HG13 VAL 13 -7.064 -14.099 -8.579
122 HG21 VAL 13 HG21 VAL 13 -8.517 -13.859 -6.567
123 HG22 VAL 13 HG22 VAL 13 -7.880 -14.269 -4.975
124 HG23 VAL 13 HG23 VAL 13 -8.153 -15.538 -6.169
125 H GLY 14 HN GLY 14 -4.609 -16.305 -3.632
126 HA2 GLY 14 HA2 GLY 14 -5.280 -14.092 -1.851
127 HA3 GLY 14 HA1 GLY 14 -4.846 -15.723 -1.360
128 H LYS 15 HN LYS 15 -3.393 -14.812 0.157
129 HA LYS 15 HA LYS 15 -1.329 -14.256 0.919
130 HB2 LYS 15 HB2 LYS 15 -0.527 -14.890 -1.928
131 HB3 LYS 15 HB1 LYS 15 0.615 -14.535 -0.641
132 HG2 LYS 15 HG2 LYS 15 -0.322 -16.479 0.616
133 HG3 LYS 15 HG1 LYS 15 -1.268 -16.873 -0.823
134 HD2 LYS 15 HD2 LYS 15 0.699 -17.245 -2.110
135 HD3 LYS 15 HD1 LYS 15 1.730 -16.574 -0.844
136 HE2 LYS 15 HE2 LYS 15 0.122 -19.120 -0.693
137 HE3 LYS 15 HE1 LYS 15 1.871 -19.000 -0.859
138 HZ1 LYS 15 HZ1 LYS 15 1.686 -17.654 1.331
139 HZ2 LYS 15 HZ2 LYS 15 1.609 -19.350 1.379
140 HZ3 LYS 15 HZ3 LYS 15 0.190 -18.440 1.488
141 H ALA 16 HN ALA 16 -3.095 -12.246 0.089
142 HA ALA 16 HA ALA 16 -1.963 -10.263 -1.537
143 HB1 ALA 16 HB1 ALA 16 -3.839 -9.794 0.772
144 HB2 ALA 16 HB2 ALA 16 -4.351 -10.410 -0.798
145 HB3 ALA 16 HB3 ALA 16 -3.635 -8.805 -0.674
146 H TRP 17 HN TRP 17 -1.834 -10.714 1.991
147 HA TRP 17 HA TRP 17 -0.331 -8.372 2.502
148 HB2 TRP 17 HB2 TRP 17 -1.649 -9.727 4.195
149 HB3 TRP 17 HB1 TRP 17 -0.327 -10.890 4.171
150 HD1 TRP 17 HD1 TRP 17 -1.187 -7.357 5.350
151 HE1 TRP 17 HE1 TRP 17 0.590 -6.593 7.047
152 HE3 TRP 17 HE3 TRP 17 2.123 -11.225 4.861
153 HZ2 TRP 17 HZ2 TRP 17 3.071 -7.502 8.038
154 HZ3 TRP 17 HZ3 TRP 17 4.173 -11.198 6.216
155 HH2 TRP 17 HH2 TRP 17 4.639 -9.373 7.774
156 H GLU 18 HN GLU 18 0.531 -11.718 1.841
157 HA GLU 18 HA GLU 18 3.289 -11.505 2.358
158 HB2 GLU 18 HB2 GLU 18 1.721 -13.405 0.612
159 HB3 GLU 18 HB1 GLU 18 3.440 -13.583 0.941
160 HG2 GLU 18 HG2 GLU 18 3.076 -14.018 3.212
161 HG3 GLU 18 HG1 GLU 18 1.417 -13.424 3.149
162 H ILE 19 HN ILE 19 1.408 -11.140 -0.648
163 HA ILE 19 HA ILE 19 3.733 -10.641 -2.233
164 HB ILE 19 HB ILE 19 1.488 -11.470 -3.113
165 HG12 ILE 19 HG12 ILE 19 1.732 -10.157 -5.266
166 HG13 ILE 19 HG11 ILE 19 2.959 -9.199 -4.445
167 HG21 ILE 19 HG21 ILE 19 0.821 -8.537 -3.035
168 HG22 ILE 19 HG22 ILE 19 0.062 -9.798 -2.063
169 HG23 ILE 19 HG23 ILE 19 -0.134 -9.799 -3.817
170 HD11 ILE 19 HD11 ILE 19 3.076 -12.174 -4.868
171 HD12 ILE 19 HD12 ILE 19 4.322 -11.175 -4.122
172 HD13 ILE 19 HD13 ILE 19 3.928 -10.966 -5.829
173 H ARG 20 HN ARG 20 1.515 -8.655 -0.398
174 HA ARG 20 HA ARG 20 2.268 -6.136 -1.440
175 HB2 ARG 20 HB2 ARG 20 0.248 -6.494 -0.059
176 HB3 ARG 20 HB1 ARG 20 1.266 -6.833 1.332
177 HG2 ARG 20 HG2 ARG 20 0.465 -4.602 1.529
178 HG3 ARG 20 HG1 ARG 20 2.184 -4.525 1.141
179 HD2 ARG 20 HD2 ARG 20 1.782 -3.823 -1.048
180 HD3 ARG 20 HD1 ARG 20 0.113 -4.388 -1.019
181 HE ARG 20 HE ARG 20 0.859 -2.178 0.747
182 HH11 ARG 20 HH11 ARG 20 -0.780 -3.291 -2.140
183 HH12 ARG 20 HH12 ARG 20 -1.774 -1.878 -2.272
184 HH21 ARG 20 HH21 ARG 20 -0.430 -0.304 0.571
185 HH22 ARG 20 HH22 ARG 20 -1.581 -0.169 -0.723
186 H ALA 21 HN ALA 21 3.436 -8.065 1.288
187 HA ALA 21 HA ALA 21 5.377 -6.214 2.194
188 HB1 ALA 21 HB1 ALA 21 4.401 -8.223 3.433
189 HB2 ALA 21 HB2 ALA 21 6.128 -7.919 3.627
190 HB3 ALA 21 HB3 ALA 21 5.574 -9.193 2.542
191 H LYS 22 HN LYS 22 5.402 -8.755 -0.217
192 HA LYS 22 HA LYS 22 8.220 -8.806 -0.607
193 HB2 LYS 22 HB2 LYS 22 6.671 -10.642 -1.278
194 HB3 LYS 22 HB1 LYS 22 6.041 -9.593 -2.544
195 HG2 LYS 22 HG2 LYS 22 8.208 -9.527 -3.615
196 HG3 LYS 22 HG1 LYS 22 8.904 -10.493 -2.315
197 HD2 LYS 22 HD2 LYS 22 7.398 -12.348 -2.919
198 HD3 LYS 22 HD1 LYS 22 6.755 -11.376 -4.245
199 HE2 LYS 22 HE2 LYS 22 8.419 -12.935 -5.069
200 HE3 LYS 22 HE1 LYS 22 8.993 -11.276 -5.241
201 HZ1 LYS 22 HZ1 LYS 22 10.323 -11.564 -3.254
202 HZ2 LYS 22 HZ2 LYS 22 10.721 -12.742 -4.394
203 HZ3 LYS 22 HZ3 LYS 22 9.759 -13.145 -3.065
204 H LEU 23 HN LEU 23 5.544 -7.190 -2.293
205 HA LEU 23 HA LEU 23 7.145 -5.940 -4.260
206 HB2 LEU 23 HB2 LEU 23 4.366 -5.698 -3.301
207 HB3 LEU 23 HB1 LEU 23 5.026 -4.256 -4.044
208 HG LEU 23 HG LEU 23 5.393 -5.375 -6.116
209 HD11 LEU 23 HD11 LEU 23 4.686 -7.905 -4.648
210 HD12 LEU 23 HD12 LEU 23 6.227 -7.491 -5.399
211 HD13 LEU 23 HD13 LEU 23 4.805 -7.777 -6.402
212 HD21 LEU 23 HD21 LEU 23 3.087 -4.640 -5.630
213 HD22 LEU 23 HD22 LEU 23 2.716 -6.265 -5.051
214 HD23 LEU 23 HD23 LEU 23 3.153 -6.009 -6.740
215 H LYS 24 HN LYS 24 6.302 -5.054 -0.989
216 HA LYS 24 HA LYS 24 7.329 -2.375 -1.245
217 HB2 LYS 24 HB2 LYS 24 5.459 -3.030 0.313
218 HB3 LYS 24 HB1 LYS 24 6.648 -3.876 1.292
219 HG2 LYS 24 HG2 LYS 24 7.780 -1.828 1.796
220 HG3 LYS 24 HG1 LYS 24 6.767 -0.938 0.659
221 HD2 LYS 24 HD2 LYS 24 6.027 -0.568 2.953
222 HD3 LYS 24 HD1 LYS 24 4.800 -1.428 2.024
223 HE2 LYS 24 HE2 LYS 24 4.905 -3.232 3.349
224 HE3 LYS 24 HE1 LYS 24 6.668 -3.210 3.383
225 HZ1 LYS 24 HZ1 LYS 24 6.678 -1.696 5.148
226 HZ2 LYS 24 HZ2 LYS 24 5.495 -2.826 5.566
227 HZ3 LYS 24 HZ3 LYS 24 5.043 -1.312 4.964
228 H GLU 25 HN GLU 25 8.626 -5.447 -0.715
229 HA GLU 25 HA GLU 25 10.970 -4.494 0.721
230 HB2 GLU 25 HB2 GLU 25 9.969 -6.690 1.283
231 HB3 GLU 25 HB1 GLU 25 10.308 -7.251 -0.347
232 HG2 GLU 25 HG2 GLU 25 12.748 -6.317 0.637
233 HG3 GLU 25 HG1 GLU 25 12.007 -7.211 1.963
234 H TYR 26 HN TYR 26 10.089 -5.816 -2.431
235 HA TYR 26 HA TYR 26 12.782 -5.508 -3.452
236 HB2 TYR 26 HB2 TYR 26 11.281 -7.422 -4.071
237 HB3 TYR 26 HB1 TYR 26 10.268 -6.278 -4.947
238 HD1 TYR 26 HD2 TYR 26 13.774 -7.544 -4.777
239 HD2 TYR 26 HD1 TYR 26 10.720 -5.819 -7.186
240 HE1 TYR 26 HE2 TYR 26 15.196 -7.824 -6.765
241 HE2 TYR 26 HE1 TYR 26 12.133 -6.091 -9.181
242 HH TYR 26 HH TYR 26 14.724 -6.246 -9.591
243 H GLY 27 HN GLY 27 9.703 -3.822 -3.628
244 HA2 GLY 27 HA2 GLY 27 10.919 -1.904 -5.512
245 HA3 GLY 27 HA1 GLY 27 9.193 -2.178 -5.338
246 H ARG 28 HN ARG 28 12.007 -1.144 -3.436
247 HA ARG 28 HA ARG 28 10.219 0.649 -1.940
248 HB2 ARG 28 HB2 ARG 28 12.175 0.761 -0.319
249 HB3 ARG 28 HB1 ARG 28 11.331 -0.777 -0.417
250 HG2 ARG 28 HG2 ARG 28 13.121 -1.571 -1.967
251 HG3 ARG 28 HG1 ARG 28 13.992 -0.073 -1.634
252 HD2 ARG 28 HD2 ARG 28 14.036 -0.633 0.745
253 HD3 ARG 28 HD1 ARG 28 13.164 -2.127 0.411
254 HE ARG 28 HE ARG 28 15.121 -2.831 -0.904
255 HH11 ARG 28 HH11 ARG 28 15.542 -0.252 1.436
256 HH12 ARG 28 HH12 ARG 28 17.238 -0.551 1.648
257 HH21 ARG 28 HH21 ARG 28 17.357 -3.224 -0.626
258 HH22 ARG 28 HH22 ARG 28 18.268 -2.246 0.479
259 H THR 29 HN THR 29 10.926 1.378 -4.501
260 HA THR 29 HA THR 29 13.207 3.064 -4.606
261 HB THR 29 HB THR 29 11.670 4.025 -6.594
262 HG1 THR 29 HG1 THR 29 10.588 1.870 -7.276
263 HG21 THR 29 HG21 THR 29 12.686 2.358 -8.047
264 HG22 THR 29 HG22 THR 29 13.031 1.328 -6.657
265 HG23 THR 29 HG23 THR 29 13.845 2.883 -6.827
266 H PHE 30 HN PHE 30 9.764 3.623 -4.071
267 HA PHE 30 HA PHE 30 8.597 5.295 -3.074
268 HB2 PHE 30 HB2 PHE 30 11.079 5.304 -1.745
269 HB3 PHE 30 HB1 PHE 30 10.722 6.988 -2.107
270 HD1 PHE 30 HD2 PHE 30 8.892 3.980 -0.866
271 HD2 PHE 30 HD1 PHE 30 9.626 8.154 -0.482
272 HE1 PHE 30 HE2 PHE 30 7.375 4.067 1.074
273 HE2 PHE 30 HE1 PHE 30 8.118 8.250 1.455
274 HZ PHE 30 HZ PHE 30 6.985 6.202 2.235
275 H GLN 31 HN GLN 31 10.028 5.556 -5.784
276 HA GLN 31 HA GLN 31 10.560 8.279 -6.248
277 HB2 GLN 31 HB2 GLN 31 10.213 5.886 -7.901
278 HB3 GLN 31 HB1 GLN 31 9.693 7.365 -8.688
279 HG2 GLN 31 HG2 GLN 31 11.827 7.539 -9.303
280 HG3 GLN 31 HG1 GLN 31 12.088 8.125 -7.662
281 HE21 GLN 31 HE21 GLN 31 12.426 5.442 -9.842
282 HE22 GLN 31 HE22 GLN 31 13.500 4.513 -8.852
283 H TYR 32 HN TYR 32 7.607 6.395 -6.974
284 HA TYR 32 HA TYR 32 6.173 8.621 -7.943
285 HB2 TYR 32 HB2 TYR 32 4.325 7.223 -8.130
286 HB3 TYR 32 HB1 TYR 32 5.677 6.108 -8.254
287 HD1 TYR 32 HD2 TYR 32 6.180 4.563 -6.403
288 HD2 TYR 32 HD1 TYR 32 2.797 7.137 -6.267
289 HE1 TYR 32 HE2 TYR 32 5.216 3.198 -4.603
290 HE2 TYR 32 HE1 TYR 32 1.827 5.774 -4.468
291 HH TYR 32 HH TYR 32 1.964 3.794 -3.378
292 H VAL 33 HN VAL 33 6.836 7.601 -4.718
293 HA VAL 33 HA VAL 33 4.623 8.989 -3.518
294 HB VAL 33 HB VAL 33 7.168 8.006 -2.209
295 HG11 VAL 33 HG11 VAL 33 4.549 8.981 -1.091
296 HG12 VAL 33 HG12 VAL 33 6.166 9.611 -0.781
297 HG13 VAL 33 HG13 VAL 33 5.701 8.031 -0.150
298 HG21 VAL 33 HG21 VAL 33 5.901 6.196 -3.289
299 HG22 VAL 33 HG22 VAL 33 4.465 6.676 -2.382
300 HG23 VAL 33 HG23 VAL 33 5.880 6.061 -1.531
301 H LYS 34 HN LYS 34 8.072 9.609 -3.970
302 HA LYS 34 HA LYS 34 8.060 12.140 -2.657
303 HB2 LYS 34 HB2 LYS 34 10.001 10.734 -4.480
304 HB3 LYS 34 HB1 LYS 34 10.283 12.383 -3.943
305 HG2 LYS 34 HG2 LYS 34 10.503 11.740 -1.703
306 HG3 LYS 34 HG1 LYS 34 9.777 10.158 -2.000
307 HD2 LYS 34 HD2 LYS 34 11.708 9.272 -2.781
308 HD3 LYS 34 HD1 LYS 34 12.212 10.780 -3.548
309 HE2 LYS 34 HE2 LYS 34 12.252 10.312 -0.570
310 HE3 LYS 34 HE1 LYS 34 13.639 10.039 -1.625
311 HZ1 LYS 34 HZ1 LYS 34 13.772 12.309 -2.137
312 HZ2 LYS 34 HZ2 LYS 34 13.520 12.260 -0.463
313 HZ3 LYS 34 HZ3 LYS 34 12.242 12.644 -1.502
314 H ASP 35 HN ASP 35 7.474 11.038 -5.893
315 HA ASP 35 HA ASP 35 7.654 13.636 -7.118
316 HB2 ASP 35 HB2 ASP 35 8.155 11.561 -8.350
317 HB3 ASP 35 HB1 ASP 35 6.487 11.043 -8.155
318 H TRP 36 HN TRP 36 5.364 12.102 -5.216
319 HA TRP 36 HA TRP 36 3.044 13.334 -6.472
320 HB2 TRP 36 HB2 TRP 36 3.312 10.981 -5.161
321 HB3 TRP 36 HB1 TRP 36 2.772 12.014 -3.841
322 HD1 TRP 36 HD1 TRP 36 0.718 13.803 -5.603
323 HE1 TRP 36 HE1 TRP 36 -1.510 12.741 -6.338
324 HE3 TRP 36 HE3 TRP 36 1.994 8.868 -5.174
325 HZ2 TRP 36 HZ2 TRP 36 -2.577 10.149 -6.681
326 HZ3 TRP 36 HZ3 TRP 36 0.310 7.163 -5.726
327 HH2 TRP 36 HH2 TRP 36 -1.926 7.792 -6.463
328 H ILE 37 HN ILE 37 1.950 15.054 -5.670
329 HA ILE 37 HA ILE 37 3.278 16.729 -3.756
330 HB ILE 37 HB ILE 37 1.975 17.541 -5.774
331 HG12 ILE 37 HG12 ILE 37 1.089 18.760 -3.156
332 HG13 ILE 37 HG11 ILE 37 2.688 18.995 -3.855
333 HG21 ILE 37 HG21 ILE 37 -0.442 17.842 -5.530
334 HG22 ILE 37 HG22 ILE 37 -0.396 16.943 -4.014
335 HG23 ILE 37 HG23 ILE 37 0.008 16.137 -5.530
336 HD11 ILE 37 HD11 ILE 37 1.674 20.043 -5.817
337 HD12 ILE 37 HD12 ILE 37 1.232 20.879 -4.329
338 HD13 ILE 37 HD13 ILE 37 0.075 19.806 -5.113
339 H SER 38 HN SER 38 0.974 14.255 -3.601
340 HA SER 38 HA SER 38 -0.319 15.138 -1.175
341 HB2 SER 38 HB2 SER 38 -1.470 13.794 -2.985
342 HB3 SER 38 HB1 SER 38 -0.488 12.416 -2.488
343 HG SER 38 HG SER 38 -2.303 13.869 -0.852
344 H LYS 39 HN LYS 39 2.060 12.715 -2.141
345 HA LYS 39 HA LYS 39 3.486 11.379 -0.986
346 HB2 LYS 39 HB2 LYS 39 3.375 13.770 0.854
347 HB3 LYS 39 HB1 LYS 39 4.501 12.437 1.074
348 HG2 LYS 39 HG2 LYS 39 5.726 12.980 -0.803
349 HG3 LYS 39 HG1 LYS 39 4.383 13.838 -1.557
350 HD2 LYS 39 HD2 LYS 39 5.902 15.514 -0.909
351 HD3 LYS 39 HD1 LYS 39 4.621 15.546 0.305
352 HE2 LYS 39 HE2 LYS 39 6.032 14.181 1.794
353 HE3 LYS 39 HE1 LYS 39 7.317 14.213 0.586
354 HZ1 LYS 39 HZ1 LYS 39 6.186 16.560 2.016
355 HZ2 LYS 39 HZ2 LYS 39 7.350 16.647 0.796
356 HZ3 LYS 39 HZ3 LYS 39 7.714 15.881 2.257
357 HA PRO 40 HA PRO 40 0.104 9.705 1.730
358 HB2 PRO 40 HB2 PRO 40 0.696 7.206 0.319
359 HB3 PRO 40 HB1 PRO 40 -0.842 8.054 0.493
360 HG2 PRO 40 HG2 PRO 40 0.473 7.943 -1.858
361 HG3 PRO 40 HG1 PRO 40 -0.495 9.349 -1.375
362 HD2 PRO 40 HD2 PRO 40 2.476 8.974 -1.285
363 HD3 PRO 40 HD1 PRO 40 1.537 10.396 -1.789
Start of MODEL 11
1 H1 MET 1 HT1 MET 1 21.503 -11.591 -25.409
2 H2 MET 1 HT2 MET 1 20.837 -10.230 -24.659
3 H3 MET 1 HT3 MET 1 19.922 -11.111 -25.769
4 HA MET 1 HA MET 1 19.869 -12.999 -24.322
5 HB2 MET 1 HB2 MET 1 21.959 -11.462 -22.968
6 HB3 MET 1 HB1 MET 1 20.740 -12.090 -21.865
7 HG2 MET 1 HG2 MET 1 22.723 -13.570 -22.230
8 HG3 MET 1 HG1 MET 1 21.155 -14.320 -22.519
9 HE1 MET 1 HE1 MET 1 22.326 -16.317 -23.828
10 HE2 MET 1 HE2 MET 1 23.895 -15.579 -23.502
11 HE3 MET 1 HE3 MET 1 23.475 -16.075 -25.142
12 H LYS 2 HN LYS 2 17.759 -12.885 -24.083
13 HA LYS 2 HA LYS 2 16.611 -11.291 -21.991
14 HB2 LYS 2 HB2 LYS 2 14.941 -10.169 -23.472
15 HB3 LYS 2 HB1 LYS 2 16.583 -9.590 -23.703
16 HG2 LYS 2 HG2 LYS 2 16.291 -9.915 -25.878
17 HG3 LYS 2 HG1 LYS 2 16.302 -11.651 -25.551
18 HD2 LYS 2 HD2 LYS 2 13.825 -11.446 -25.088
19 HD3 LYS 2 HD1 LYS 2 13.930 -9.812 -25.750
20 HE2 LYS 2 HE2 LYS 2 14.470 -10.588 -27.885
21 HE3 LYS 2 HE1 LYS 2 14.935 -12.181 -27.292
22 HZ1 LYS 2 HZ1 LYS 2 12.821 -12.316 -28.384
23 HZ2 LYS 2 HZ2 LYS 2 12.184 -11.077 -27.430
24 HZ3 LYS 2 HZ3 LYS 2 12.585 -12.564 -26.726
25 H VAL 3 HN VAL 3 13.940 -11.528 -22.630
26 HA VAL 3 HA VAL 3 13.398 -14.216 -22.046
27 HB VAL 3 HB VAL 3 11.839 -12.497 -21.407
28 HG11 VAL 3 HG11 VAL 3 11.389 -12.030 -24.346
29 HG12 VAL 3 HG12 VAL 3 12.152 -10.921 -23.206
30 HG13 VAL 3 HG13 VAL 3 10.440 -11.317 -23.042
31 HG21 VAL 3 HG21 VAL 3 10.446 -14.191 -23.464
32 HG22 VAL 3 HG22 VAL 3 9.779 -13.532 -21.972
33 HG23 VAL 3 HG23 VAL 3 10.998 -14.804 -21.904
34 H HIS 4 HN HIS 4 13.051 -15.966 -23.277
35 HA HIS 4 HA HIS 4 13.752 -15.927 -26.019
36 HB2 HIS 4 HB2 HIS 4 12.643 -18.041 -24.197
37 HB3 HIS 4 HB1 HIS 4 12.764 -18.339 -25.926
38 HD1 HIS 4 HD1 HIS 4 14.500 -19.305 -23.152
39 HD2 HIS 4 HD2 HIS 4 15.704 -17.282 -26.582
40 HE1 HIS 4 HE1 HIS 4 16.991 -19.644 -23.303
41 HE2 HIS 4 HE2 HIS 4 17.651 -18.594 -25.491
42 H ARG 5 HN ARG 5 10.664 -17.103 -24.677
43 HA ARG 5 HA ARG 5 9.103 -15.448 -26.400
44 HB2 ARG 5 HB2 ARG 5 10.137 -17.539 -27.742
45 HB3 ARG 5 HB1 ARG 5 8.713 -18.312 -27.069
46 HG2 ARG 5 HG2 ARG 5 7.310 -16.567 -28.083
47 HG3 ARG 5 HG1 ARG 5 8.755 -15.856 -28.804
48 HD2 ARG 5 HD2 ARG 5 7.610 -18.591 -29.332
49 HD3 ARG 5 HD1 ARG 5 7.679 -17.231 -30.450
50 HE ARG 5 HE ARG 5 9.931 -18.913 -29.601
51 HH11 ARG 5 HH11 ARG 5 8.661 -16.355 -31.637
52 HH12 ARG 5 HH12 ARG 5 10.050 -16.319 -32.671
53 HH21 ARG 5 HH21 ARG 5 11.751 -18.883 -30.985
54 HH22 ARG 5 HH22 ARG 5 11.793 -17.765 -32.310
55 H MET 6 HN MET 6 6.947 -15.499 -25.878
56 HA MET 6 HA MET 6 5.137 -15.718 -24.533
57 HB2 MET 6 HB2 MET 6 6.080 -18.553 -24.788
58 HB3 MET 6 HB1 MET 6 4.721 -18.172 -23.741
59 HG2 MET 6 HG2 MET 6 3.746 -18.783 -25.760
60 HG3 MET 6 HG1 MET 6 3.698 -17.022 -25.766
61 HE1 MET 6 HE1 MET 6 3.301 -18.864 -28.363
62 HE2 MET 6 HE2 MET 6 4.245 -17.961 -29.546
63 HE3 MET 6 HE3 MET 6 3.215 -17.105 -28.399
64 HA PRO 7 HA PRO 7 7.710 -15.459 -20.677
65 HB2 PRO 7 HB2 PRO 7 6.650 -13.052 -19.890
66 HB3 PRO 7 HB1 PRO 7 8.104 -13.221 -20.877
67 HG2 PRO 7 HG2 PRO 7 5.321 -12.558 -21.701
68 HG3 PRO 7 HG1 PRO 7 6.859 -11.946 -22.334
69 HD2 PRO 7 HD2 PRO 7 5.363 -13.836 -23.602
70 HD3 PRO 7 HD1 PRO 7 7.127 -13.729 -23.751
71 H LYS 8 HN LYS 8 6.767 -16.937 -19.393
72 HA LYS 8 HA LYS 8 3.987 -17.058 -18.859
73 HB2 LYS 8 HB2 LYS 8 4.626 -18.713 -17.113
74 HB3 LYS 8 HB1 LYS 8 5.306 -19.068 -18.693
75 HG2 LYS 8 HG2 LYS 8 7.451 -18.150 -17.979
76 HG3 LYS 8 HG1 LYS 8 6.771 -17.780 -16.394
77 HD2 LYS 8 HD2 LYS 8 6.366 -20.146 -16.001
78 HD3 LYS 8 HD1 LYS 8 6.981 -20.536 -17.607
79 HE2 LYS 8 HE2 LYS 8 9.162 -19.530 -16.939
80 HE3 LYS 8 HE1 LYS 8 8.525 -19.347 -15.307
81 HZ1 LYS 8 HZ1 LYS 8 8.803 -21.929 -16.749
82 HZ2 LYS 8 HZ2 LYS 8 8.262 -21.727 -15.163
83 HZ3 LYS 8 HZ3 LYS 8 9.861 -21.353 -15.559
84 H GLY 9 HN GLY 9 2.800 -16.396 -17.118
85 HA2 GLY 9 HA2 GLY 9 4.063 -14.292 -15.504
86 HA3 GLY 9 HA1 GLY 9 2.337 -14.472 -15.787
87 H VAL 10 HN VAL 10 3.093 -14.042 -13.266
88 HA VAL 10 HA VAL 10 2.697 -16.658 -11.984
89 HB VAL 10 HB VAL 10 4.028 -15.683 -10.006
90 HG11 VAL 10 HG11 VAL 10 5.410 -16.463 -12.572
91 HG12 VAL 10 HG12 VAL 10 4.845 -17.548 -11.300
92 HG13 VAL 10 HG13 VAL 10 6.178 -16.437 -10.983
93 HG21 VAL 10 HG21 VAL 10 4.174 -13.382 -10.777
94 HG22 VAL 10 HG22 VAL 10 5.043 -13.899 -12.222
95 HG23 VAL 10 HG23 VAL 10 5.791 -14.075 -10.634
96 H VAL 11 HN VAL 11 0.927 -16.706 -10.775
97 HA VAL 11 HA VAL 11 0.111 -14.427 -9.215
98 HB VAL 11 HB VAL 11 -0.982 -13.961 -11.373
99 HG11 VAL 11 HG11 VAL 11 -1.188 -16.246 -12.208
100 HG12 VAL 11 HG12 VAL 11 -2.738 -15.408 -12.238
101 HG13 VAL 11 HG13 VAL 11 -2.403 -16.590 -10.974
102 HG21 VAL 11 HG21 VAL 11 -3.274 -13.704 -10.531
103 HG22 VAL 11 HG22 VAL 11 -2.074 -13.238 -9.327
104 HG23 VAL 11 HG23 VAL 11 -2.899 -14.791 -9.195
105 H LEU 12 HN LEU 12 -0.913 -15.051 -7.383
106 HA LEU 12 HA LEU 12 -1.621 -17.899 -7.141
107 HB2 LEU 12 HB2 LEU 12 -0.295 -16.091 -5.121
108 HB3 LEU 12 HB1 LEU 12 -0.985 -17.645 -4.707
109 HG LEU 12 HG LEU 12 1.271 -18.129 -4.906
110 HD11 LEU 12 HD11 LEU 12 -0.096 -19.621 -6.311
111 HD12 LEU 12 HD12 LEU 12 1.565 -19.463 -6.878
112 HD13 LEU 12 HD13 LEU 12 0.268 -18.601 -7.702
113 HD21 LEU 12 HD21 LEU 12 2.024 -15.989 -5.730
114 HD22 LEU 12 HD22 LEU 12 1.361 -16.340 -7.327
115 HD23 LEU 12 HD23 LEU 12 2.715 -17.283 -6.707
116 H VAL 13 HN VAL 13 -3.262 -18.374 -5.543
117 HA VAL 13 HA VAL 13 -5.359 -16.376 -5.547
118 HB VAL 13 HB VAL 13 -5.395 -19.180 -4.406
119 HG11 VAL 13 HG11 VAL 13 -7.624 -17.222 -4.964
120 HG12 VAL 13 HG12 VAL 13 -7.104 -17.818 -3.387
121 HG13 VAL 13 HG13 VAL 13 -7.861 -18.917 -4.540
122 HG21 VAL 13 HG21 VAL 13 -6.588 -18.252 -7.012
123 HG22 VAL 13 HG22 VAL 13 -6.412 -19.904 -6.424
124 HG23 VAL 13 HG23 VAL 13 -4.986 -18.979 -6.890
125 H GLY 14 HN GLY 14 -5.105 -14.812 -4.068
126 HA2 GLY 14 HA2 GLY 14 -5.411 -14.001 -1.882
127 HA3 GLY 14 HA1 GLY 14 -5.019 -15.597 -1.260
128 H LYS 15 HN LYS 15 -3.529 -14.817 0.220
129 HA LYS 15 HA LYS 15 -1.481 -14.235 1.003
130 HB2 LYS 15 HB2 LYS 15 -0.598 -14.813 -1.837
131 HB3 LYS 15 HB1 LYS 15 0.472 -14.641 -0.455
132 HG2 LYS 15 HG2 LYS 15 -0.614 -16.598 0.589
133 HG3 LYS 15 HG1 LYS 15 -1.591 -16.794 -0.865
134 HD2 LYS 15 HD2 LYS 15 0.413 -17.146 -2.196
135 HD3 LYS 15 HD1 LYS 15 1.427 -16.867 -0.780
136 HE2 LYS 15 HE2 LYS 15 -0.167 -18.824 0.157
137 HE3 LYS 15 HE1 LYS 15 -0.149 -19.239 -1.556
138 HZ1 LYS 15 HZ1 LYS 15 1.623 -20.369 -0.446
139 HZ2 LYS 15 HZ2 LYS 15 2.214 -18.930 0.212
140 HZ3 LYS 15 HZ3 LYS 15 2.297 -19.191 -1.452
141 H ALA 16 HN ALA 16 -3.220 -12.187 0.089
142 HA ALA 16 HA ALA 16 -1.982 -10.253 -1.516
143 HB1 ALA 16 HB1 ALA 16 -3.956 -9.748 0.702
144 HB2 ALA 16 HB2 ALA 16 -4.390 -10.303 -0.914
145 HB3 ALA 16 HB3 ALA 16 -3.636 -8.723 -0.699
146 H TRP 17 HN TRP 17 -1.780 -10.893 1.935
147 HA TRP 17 HA TRP 17 -0.412 -8.486 2.576
148 HB2 TRP 17 HB2 TRP 17 -0.676 -11.123 4.019
149 HB3 TRP 17 HB1 TRP 17 0.220 -9.763 4.686
150 HD1 TRP 17 HD1 TRP 17 -3.378 -10.597 3.521
151 HE1 TRP 17 HE1 TRP 17 -5.022 -9.192 4.919
152 HE3 TRP 17 HE3 TRP 17 -0.009 -7.840 6.188
153 HZ2 TRP 17 HZ2 TRP 17 -4.898 -7.169 6.882
154 HZ3 TRP 17 HZ3 TRP 17 -0.852 -6.187 7.801
155 HH2 TRP 17 HH2 TRP 17 -3.240 -5.858 8.142
156 H GLU 18 HN GLU 18 0.651 -11.801 1.937
157 HA GLU 18 HA GLU 18 3.399 -11.341 2.319
158 HB2 GLU 18 HB2 GLU 18 2.026 -13.398 0.587
159 HB3 GLU 18 HB1 GLU 18 3.718 -13.438 1.064
160 HG2 GLU 18 HG2 GLU 18 2.961 -14.767 2.694
161 HG3 GLU 18 HG1 GLU 18 2.552 -13.242 3.479
162 H ILE 19 HN ILE 19 1.415 -11.238 -0.653
163 HA ILE 19 HA ILE 19 3.640 -10.759 -2.341
164 HB ILE 19 HB ILE 19 1.443 -11.599 -3.159
165 HG12 ILE 19 HG12 ILE 19 2.353 -9.082 -4.568
166 HG13 ILE 19 HG11 ILE 19 3.202 -10.620 -4.659
167 HG21 ILE 19 HG21 ILE 19 0.562 -8.727 -2.908
168 HG22 ILE 19 HG22 ILE 19 -0.006 -10.064 -1.909
169 HG23 ILE 19 HG23 ILE 19 -0.359 -10.042 -3.639
170 HD11 ILE 19 HD11 ILE 19 1.265 -11.648 -5.706
171 HD12 ILE 19 HD12 ILE 19 1.801 -10.234 -6.616
172 HD13 ILE 19 HD13 ILE 19 0.381 -10.126 -5.578
173 H ARG 20 HN ARG 20 1.518 -8.623 -0.527
174 HA ARG 20 HA ARG 20 2.505 -6.240 -1.749
175 HB2 ARG 20 HB2 ARG 20 0.773 -6.838 0.612
176 HB3 ARG 20 HB1 ARG 20 1.462 -5.227 0.448
177 HG2 ARG 20 HG2 ARG 20 0.322 -4.802 -1.538
178 HG3 ARG 20 HG1 ARG 20 -0.017 -6.511 -1.814
179 HD2 ARG 20 HD2 ARG 20 -1.472 -6.458 0.228
180 HD3 ARG 20 HD1 ARG 20 -1.248 -4.706 0.260
181 HE ARG 20 HE ARG 20 -2.104 -5.406 -2.300
182 HH11 ARG 20 HH11 ARG 20 -3.365 -5.418 0.969
183 HH12 ARG 20 HH12 ARG 20 -5.014 -5.256 0.461
184 HH21 ARG 20 HH21 ARG 20 -4.274 -5.192 -2.964
185 HH22 ARG 20 HH22 ARG 20 -5.531 -5.125 -1.769
186 H ALA 21 HN ALA 21 3.387 -8.138 1.059
187 HA ALA 21 HA ALA 21 5.199 -6.272 2.186
188 HB1 ALA 21 HB1 ALA 21 4.264 -8.273 3.355
189 HB2 ALA 21 HB2 ALA 21 6.007 -8.086 3.518
190 HB3 ALA 21 HB3 ALA 21 5.348 -9.279 2.396
191 H LYS 22 HN LYS 22 5.530 -8.918 -0.112
192 HA LYS 22 HA LYS 22 8.325 -8.774 -0.455
193 HB2 LYS 22 HB2 LYS 22 7.070 -10.727 -1.165
194 HB3 LYS 22 HB1 LYS 22 6.158 -9.762 -2.319
195 HG2 LYS 22 HG2 LYS 22 8.206 -9.351 -3.593
196 HG3 LYS 22 HG1 LYS 22 9.118 -10.316 -2.431
197 HD2 LYS 22 HD2 LYS 22 7.797 -12.278 -3.009
198 HD3 LYS 22 HD1 LYS 22 6.841 -11.317 -4.138
199 HE2 LYS 22 HE2 LYS 22 8.815 -10.896 -5.486
200 HE3 LYS 22 HE1 LYS 22 9.813 -11.783 -4.333
201 HZ1 LYS 22 HZ1 LYS 22 9.233 -13.136 -6.257
202 HZ2 LYS 22 HZ2 LYS 22 7.588 -12.939 -5.925
203 HZ3 LYS 22 HZ3 LYS 22 8.573 -13.787 -4.841
204 H LEU 23 HN LEU 23 5.625 -7.265 -2.156
205 HA LEU 23 HA LEU 23 7.124 -5.979 -4.152
206 HB2 LEU 23 HB2 LEU 23 4.393 -5.898 -3.203
207 HB3 LEU 23 HB1 LEU 23 4.960 -4.288 -3.594
208 HG LEU 23 HG LEU 23 5.635 -5.154 -5.849
209 HD11 LEU 23 HD11 LEU 23 5.831 -7.501 -5.371
210 HD12 LEU 23 HD12 LEU 23 4.569 -7.265 -6.580
211 HD13 LEU 23 HD13 LEU 23 4.133 -7.588 -4.901
212 HD21 LEU 23 HD21 LEU 23 3.547 -3.920 -5.463
213 HD22 LEU 23 HD22 LEU 23 2.716 -5.441 -5.141
214 HD23 LEU 23 HD23 LEU 23 3.380 -5.121 -6.743
215 H LYS 24 HN LYS 24 6.302 -5.039 -0.872
216 HA LYS 24 HA LYS 24 7.286 -2.384 -1.063
217 HB2 LYS 24 HB2 LYS 24 5.705 -3.050 0.682
218 HB3 LYS 24 HB1 LYS 24 6.884 -4.168 1.349
219 HG2 LYS 24 HG2 LYS 24 8.216 -1.747 1.337
220 HG3 LYS 24 HG1 LYS 24 6.565 -1.320 1.787
221 HD2 LYS 24 HD2 LYS 24 7.767 -1.783 3.800
222 HD3 LYS 24 HD1 LYS 24 6.667 -3.134 3.512
223 HE2 LYS 24 HE2 LYS 24 8.527 -4.400 2.511
224 HE3 LYS 24 HE1 LYS 24 9.616 -3.062 2.873
225 HZ1 LYS 24 HZ1 LYS 24 9.039 -3.380 5.243
226 HZ2 LYS 24 HZ2 LYS 24 9.827 -4.712 4.557
227 HZ3 LYS 24 HZ3 LYS 24 8.157 -4.758 4.824
228 H GLU 25 HN GLU 25 8.753 -5.474 -0.253
229 HA GLU 25 HA GLU 25 11.219 -4.335 0.667
230 HB2 GLU 25 HB2 GLU 25 10.309 -7.110 -0.027
231 HB3 GLU 25 HB1 GLU 25 12.007 -6.776 0.277
232 HG2 GLU 25 HG2 GLU 25 9.777 -6.189 2.207
233 HG3 GLU 25 HG1 GLU 25 10.792 -7.631 2.244
234 H TYR 26 HN TYR 26 10.056 -5.731 -2.355
235 HA TYR 26 HA TYR 26 12.607 -5.510 -3.660
236 HB2 TYR 26 HB2 TYR 26 10.844 -7.236 -4.188
237 HB3 TYR 26 HB1 TYR 26 9.914 -5.949 -4.948
238 HD1 TYR 26 HD2 TYR 26 13.263 -7.574 -5.072
239 HD2 TYR 26 HD1 TYR 26 10.231 -5.493 -7.211
240 HE1 TYR 26 HE2 TYR 26 14.495 -7.945 -7.161
241 HE2 TYR 26 HE1 TYR 26 11.460 -5.858 -9.313
242 HH TYR 26 HH TYR 26 13.862 -6.290 -9.991
243 H GLY 27 HN GLY 27 9.624 -3.610 -3.584
244 HA2 GLY 27 HA2 GLY 27 11.097 -1.419 -4.848
245 HA3 GLY 27 HA1 GLY 27 9.610 -1.953 -5.615
246 H ARG 28 HN ARG 28 10.976 -0.576 -2.684
247 HA ARG 28 HA ARG 28 8.496 -0.056 -1.403
248 HB2 ARG 28 HB2 ARG 28 10.867 -0.163 -0.379
249 HB3 ARG 28 HB1 ARG 28 11.015 1.513 -0.899
250 HG2 ARG 28 HG2 ARG 28 8.704 1.720 0.379
251 HG3 ARG 28 HG1 ARG 28 9.346 0.318 1.240
252 HD2 ARG 28 HD2 ARG 28 11.278 1.530 1.922
253 HD3 ARG 28 HD1 ARG 28 10.881 2.878 0.857
254 HE ARG 28 HE ARG 28 9.422 2.154 3.309
255 HH11 ARG 28 HH11 ARG 28 10.305 4.487 0.848
256 HH12 ARG 28 HH12 ARG 28 9.519 5.813 1.640
257 HH21 ARG 28 HH21 ARG 28 8.384 3.898 4.358
258 HH22 ARG 28 HH22 ARG 28 8.427 5.482 3.645
259 H THR 29 HN THR 29 9.662 1.212 -4.172
260 HA THR 29 HA THR 29 9.110 3.983 -3.855
261 HB THR 29 HB THR 29 8.929 3.759 -6.471
262 HG1 THR 29 HG1 THR 29 10.529 1.714 -6.673
263 HG21 THR 29 HG21 THR 29 11.474 3.246 -4.929
264 HG22 THR 29 HG22 THR 29 10.800 4.820 -5.357
265 HG23 THR 29 HG23 THR 29 11.403 3.744 -6.618
266 H PHE 30 HN PHE 30 7.248 1.160 -4.469
267 HA PHE 30 HA PHE 30 5.051 0.740 -4.808
268 HB2 PHE 30 HB2 PHE 30 4.802 3.490 -3.572
269 HB3 PHE 30 HB1 PHE 30 3.434 2.429 -3.890
270 HD1 PHE 30 HD2 PHE 30 4.039 -0.123 -3.011
271 HD2 PHE 30 HD1 PHE 30 5.398 3.561 -1.376
272 HE1 PHE 30 HE2 PHE 30 4.381 -1.222 -0.836
273 HE2 PHE 30 HE1 PHE 30 5.742 2.474 0.801
274 HZ PHE 30 HZ PHE 30 5.236 0.079 1.076
275 H GLN 31 HN GLN 31 6.402 1.562 -7.052
276 HA GLN 31 HA GLN 31 5.412 3.660 -8.541
277 HB2 GLN 31 HB2 GLN 31 7.288 2.177 -9.210
278 HB3 GLN 31 HB1 GLN 31 6.126 0.914 -9.585
279 HG2 GLN 31 HG2 GLN 31 5.088 2.503 -11.236
280 HG3 GLN 31 HG1 GLN 31 6.479 3.554 -10.975
281 HE21 GLN 31 HE21 GLN 31 5.335 0.608 -12.369
282 HE22 GLN 31 HE22 GLN 31 6.758 0.230 -13.273
283 H TYR 32 HN TYR 32 4.017 0.424 -8.163
284 HA TYR 32 HA TYR 32 1.953 0.742 -10.055
285 HB2 TYR 32 HB2 TYR 32 2.573 -1.469 -9.264
286 HB3 TYR 32 HB1 TYR 32 2.105 -1.047 -7.619
287 HD1 TYR 32 HD2 TYR 32 0.695 -1.334 -11.060
288 HD2 TYR 32 HD1 TYR 32 -0.047 -1.553 -6.878
289 HE1 TYR 32 HE2 TYR 32 -1.589 -2.124 -11.509
290 HE2 TYR 32 HE1 TYR 32 -2.332 -2.346 -7.316
291 HH TYR 32 HH TYR 32 -4.010 -2.088 -9.320
292 H VAL 33 HN VAL 33 2.089 1.379 -6.571
293 HA VAL 33 HA VAL 33 -0.683 2.099 -6.399
294 HB VAL 33 HB VAL 33 1.307 2.992 -4.352
295 HG11 VAL 33 HG11 VAL 33 -1.468 1.832 -4.181
296 HG12 VAL 33 HG12 VAL 33 -1.041 3.538 -4.038
297 HG13 VAL 33 HG13 VAL 33 -0.500 2.386 -2.816
298 HG21 VAL 33 HG21 VAL 33 0.396 0.142 -4.734
299 HG22 VAL 33 HG22 VAL 33 1.234 0.760 -3.310
300 HG23 VAL 33 HG23 VAL 33 2.048 0.744 -4.876
301 H LYS 34 HN LYS 34 2.129 3.678 -7.434
302 HA LYS 34 HA LYS 34 1.239 6.353 -6.830
303 HB2 LYS 34 HB2 LYS 34 3.594 6.077 -6.906
304 HB3 LYS 34 HB1 LYS 34 3.528 5.213 -8.432
305 HG2 LYS 34 HG2 LYS 34 2.502 7.972 -8.500
306 HG3 LYS 34 HG1 LYS 34 4.229 7.804 -8.182
307 HD2 LYS 34 HD2 LYS 34 4.655 6.853 -10.238
308 HD3 LYS 34 HD1 LYS 34 3.011 6.234 -10.409
309 HE2 LYS 34 HE2 LYS 34 2.230 8.582 -10.693
310 HE3 LYS 34 HE1 LYS 34 3.917 9.094 -10.685
311 HZ1 LYS 34 HZ1 LYS 34 2.737 7.177 -12.628
312 HZ2 LYS 34 HZ2 LYS 34 4.317 7.788 -12.644
313 HZ3 LYS 34 HZ3 LYS 34 3.012 8.824 -12.930
314 H ASP 35 HN ASP 35 1.364 4.210 -9.619
315 HA ASP 35 HA ASP 35 0.151 6.159 -11.372
316 HB2 ASP 35 HB2 ASP 35 1.649 3.808 -11.719
317 HB3 ASP 35 HB1 ASP 35 0.057 3.456 -12.383
318 H TRP 36 HN TRP 36 -0.812 3.296 -9.599
319 HA TRP 36 HA TRP 36 -3.605 3.789 -10.382
320 HB2 TRP 36 HB2 TRP 36 -2.735 1.559 -11.047
321 HB3 TRP 36 HB1 TRP 36 -2.364 1.219 -9.361
322 HD1 TRP 36 HD1 TRP 36 -5.342 1.595 -11.750
323 HE1 TRP 36 HE1 TRP 36 -7.405 0.507 -10.665
324 HE3 TRP 36 HE3 TRP 36 -3.401 0.584 -7.118
325 HZ2 TRP 36 HZ2 TRP 36 -8.117 -0.639 -8.182
326 HZ3 TRP 36 HZ3 TRP 36 -4.845 -0.511 -5.447
327 HH2 TRP 36 HH2 TRP 36 -7.156 -1.107 -5.973
328 H ILE 37 HN ILE 37 -4.534 4.962 -8.850
329 HA ILE 37 HA ILE 37 -3.731 4.639 -6.067
330 HB ILE 37 HB ILE 37 -5.253 6.573 -5.645
331 HG12 ILE 37 HG12 ILE 37 -5.449 6.680 -8.664
332 HG13 ILE 37 HG11 ILE 37 -6.751 6.167 -7.594
333 HG21 ILE 37 HG21 ILE 37 -2.873 6.904 -6.000
334 HG22 ILE 37 HG22 ILE 37 -3.796 8.242 -6.690
335 HG23 ILE 37 HG23 ILE 37 -3.132 6.992 -7.743
336 HD11 ILE 37 HD11 ILE 37 -6.733 8.394 -6.555
337 HD12 ILE 37 HD12 ILE 37 -7.098 8.443 -8.280
338 HD13 ILE 37 HD13 ILE 37 -5.493 8.897 -7.704
339 H SER 38 HN SER 38 -5.181 4.086 -4.410
340 HA SER 38 HA SER 38 -7.269 2.282 -5.231
341 HB2 SER 38 HB2 SER 38 -7.392 2.508 -2.463
342 HB3 SER 38 HB1 SER 38 -6.467 1.308 -3.368
343 HG SER 38 HG SER 38 -5.541 3.193 -1.781
344 H LYS 39 HN LYS 39 -8.238 4.426 -6.233
345 HA LYS 39 HA LYS 39 -10.146 5.519 -4.275
346 HB2 LYS 39 HB2 LYS 39 -8.584 7.218 -5.207
347 HB3 LYS 39 HB1 LYS 39 -9.171 6.833 -6.818
348 HG2 LYS 39 HG2 LYS 39 -10.253 8.823 -6.102
349 HG3 LYS 39 HG1 LYS 39 -11.449 7.528 -6.080
350 HD2 LYS 39 HD2 LYS 39 -10.198 7.602 -3.537
351 HD3 LYS 39 HD1 LYS 39 -10.658 9.250 -3.964
352 HE2 LYS 39 HE2 LYS 39 -12.936 8.508 -4.411
353 HE3 LYS 39 HE1 LYS 39 -12.485 6.851 -4.012
354 HZ1 LYS 39 HZ1 LYS 39 -12.475 9.174 -2.161
355 HZ2 LYS 39 HZ2 LYS 39 -11.935 7.620 -1.761
356 HZ3 LYS 39 HZ3 LYS 39 -13.559 7.877 -2.143
357 HA PRO 40 HA PRO 40 -12.797 3.027 -6.995
358 HB2 PRO 40 HB2 PRO 40 -14.936 3.081 -5.286
359 HB3 PRO 40 HB1 PRO 40 -13.616 1.913 -5.166
360 HG2 PRO 40 HG2 PRO 40 -14.061 4.435 -3.622
361 HG3 PRO 40 HG1 PRO 40 -13.484 2.858 -3.051
362 HD2 PRO 40 HD2 PRO 40 -11.818 4.929 -3.508
363 HD3 PRO 40 HD1 PRO 40 -11.331 3.246 -3.780
Start of MODEL 12
1 H1 MET 1 HT1 MET 1 10.507 -37.181 5.286
2 H2 MET 1 HT2 MET 1 9.550 -38.574 5.291
3 H3 MET 1 HT3 MET 1 9.925 -37.800 6.747
4 HA MET 1 HA MET 1 8.656 -35.880 6.127
5 HB2 MET 1 HB2 MET 1 9.113 -36.545 3.587
6 HB3 MET 1 HB1 MET 1 7.544 -37.315 3.762
7 HG2 MET 1 HG2 MET 1 6.652 -35.121 4.551
8 HG3 MET 1 HG1 MET 1 8.203 -34.406 4.111
9 HE1 MET 1 HE1 MET 1 6.591 -32.972 1.044
10 HE2 MET 1 HE2 MET 1 7.704 -32.784 2.400
11 HE3 MET 1 HE3 MET 1 5.969 -32.913 2.694
12 H LYS 2 HN LYS 2 7.075 -36.017 7.558
13 HA LYS 2 HA LYS 2 5.827 -38.507 8.184
14 HB2 LYS 2 HB2 LYS 2 6.286 -36.240 9.598
15 HB3 LYS 2 HB1 LYS 2 4.592 -36.014 9.190
16 HG2 LYS 2 HG2 LYS 2 5.658 -38.504 10.501
17 HG3 LYS 2 HG1 LYS 2 5.028 -37.120 11.395
18 HD2 LYS 2 HD2 LYS 2 2.872 -37.376 10.250
19 HD3 LYS 2 HD1 LYS 2 3.506 -38.772 9.376
20 HE2 LYS 2 HE2 LYS 2 3.864 -39.921 11.522
21 HE3 LYS 2 HE1 LYS 2 3.178 -38.535 12.364
22 HZ1 LYS 2 HZ1 LYS 2 1.776 -40.319 10.454
23 HZ2 LYS 2 HZ2 LYS 2 1.108 -38.909 11.106
24 HZ3 LYS 2 HZ3 LYS 2 1.507 -40.199 12.118
25 H VAL 3 HN VAL 3 4.628 -35.481 6.710
26 HA VAL 3 HA VAL 3 1.992 -36.425 6.305
27 HB VAL 3 HB VAL 3 2.527 -34.047 6.280
28 HG11 VAL 3 HG11 VAL 3 3.964 -34.648 3.704
29 HG12 VAL 3 HG12 VAL 3 4.655 -34.012 5.194
30 HG13 VAL 3 HG13 VAL 3 3.539 -33.028 4.252
31 HG21 VAL 3 HG21 VAL 3 1.353 -34.974 3.662
32 HG22 VAL 3 HG22 VAL 3 1.141 -33.382 4.383
33 HG23 VAL 3 HG23 VAL 3 0.480 -34.807 5.185
34 H HIS 4 HN HIS 4 4.906 -36.639 4.393
35 HA HIS 4 HA HIS 4 5.499 -37.792 2.545
36 HB2 HIS 4 HB2 HIS 4 4.442 -39.630 3.992
37 HB3 HIS 4 HB1 HIS 4 3.055 -39.507 2.916
38 HD1 HIS 4 HD1 HIS 4 6.803 -39.681 2.204
39 HD2 HIS 4 HD2 HIS 4 3.239 -41.556 1.172
40 HE1 HIS 4 HE1 HIS 4 7.417 -41.416 0.498
41 HE2 HIS 4 HE2 HIS 4 5.232 -42.448 -0.199
42 H ARG 5 HN ARG 5 3.349 -35.631 2.449
43 HA ARG 5 HA ARG 5 2.760 -35.928 -0.384
44 HB2 ARG 5 HB2 ARG 5 0.745 -35.863 1.782
45 HB3 ARG 5 HB1 ARG 5 0.435 -34.781 0.433
46 HG2 ARG 5 HG2 ARG 5 -0.630 -36.591 -0.376
47 HG3 ARG 5 HG1 ARG 5 0.992 -37.008 -0.928
48 HD2 ARG 5 HD2 ARG 5 1.303 -38.320 1.158
49 HD3 ARG 5 HD1 ARG 5 -0.376 -37.979 1.575
50 HE ARG 5 HE ARG 5 0.355 -39.407 -0.901
51 HH11 ARG 5 HH11 ARG 5 -1.501 -39.197 2.071
52 HH12 ARG 5 HH12 ARG 5 -2.493 -40.567 1.681
53 HH21 ARG 5 HH21 ARG 5 -0.952 -41.200 -1.399
54 HH22 ARG 5 HH22 ARG 5 -2.183 -41.707 -0.281
55 H MET 6 HN MET 6 1.263 -33.606 -0.693
56 HA MET 6 HA MET 6 3.202 -31.585 0.200
57 HB2 MET 6 HB2 MET 6 1.368 -31.608 -2.198
58 HB3 MET 6 HB1 MET 6 2.354 -30.229 -1.727
59 HG2 MET 6 HG2 MET 6 3.406 -32.956 -2.448
60 HG3 MET 6 HG1 MET 6 3.377 -31.555 -3.518
61 HE1 MET 6 HE1 MET 6 6.046 -32.686 -3.527
62 HE2 MET 6 HE2 MET 6 5.817 -33.583 -2.026
63 HE3 MET 6 HE3 MET 6 7.137 -32.423 -2.167
64 HA PRO 7 HA PRO 7 -0.477 -30.341 2.556
65 HB2 PRO 7 HB2 PRO 7 0.832 -29.388 4.691
66 HB3 PRO 7 HB1 PRO 7 0.632 -31.127 4.435
67 HG2 PRO 7 HG2 PRO 7 3.017 -29.397 3.935
68 HG3 PRO 7 HG1 PRO 7 2.940 -31.039 4.595
69 HD2 PRO 7 HD2 PRO 7 3.554 -30.419 1.971
70 HD3 PRO 7 HD1 PRO 7 2.944 -31.990 2.524
71 H LYS 8 HN LYS 8 -1.331 -28.269 3.069
72 HA LYS 8 HA LYS 8 0.291 -25.952 2.403
73 HB2 LYS 8 HB2 LYS 8 -1.339 -25.059 0.799
74 HB3 LYS 8 HB1 LYS 8 -0.653 -26.574 0.239
75 HG2 LYS 8 HG2 LYS 8 -3.242 -26.594 1.713
76 HG3 LYS 8 HG1 LYS 8 -3.205 -26.117 0.015
77 HD2 LYS 8 HD2 LYS 8 -1.959 -28.270 -0.431
78 HD3 LYS 8 HD1 LYS 8 -2.352 -28.743 1.221
79 HE2 LYS 8 HE2 LYS 8 -4.379 -29.394 0.595
80 HE3 LYS 8 HE1 LYS 8 -4.714 -27.805 -0.091
81 HZ1 LYS 8 HZ1 LYS 8 -4.907 -29.549 -1.750
82 HZ2 LYS 8 HZ2 LYS 8 -3.304 -30.021 -1.479
83 HZ3 LYS 8 HZ3 LYS 8 -3.636 -28.498 -2.137
84 H GLY 9 HN GLY 9 -0.937 -23.895 2.770
85 HA2 GLY 9 HA2 GLY 9 -2.163 -24.013 5.357
86 HA3 GLY 9 HA1 GLY 9 -1.877 -22.563 4.404
87 H VAL 10 HN VAL 10 -4.030 -25.277 4.922
88 HA VAL 10 HA VAL 10 -6.051 -24.496 3.099
89 HB VAL 10 HB VAL 10 -7.520 -26.039 4.408
90 HG11 VAL 10 HG11 VAL 10 -6.298 -28.067 3.831
91 HG12 VAL 10 HG12 VAL 10 -4.811 -27.134 3.671
92 HG13 VAL 10 HG13 VAL 10 -6.153 -26.853 2.560
93 HG21 VAL 10 HG21 VAL 10 -6.524 -27.375 6.197
94 HG22 VAL 10 HG22 VAL 10 -6.568 -25.664 6.623
95 HG23 VAL 10 HG23 VAL 10 -5.053 -26.407 6.108
96 H VAL 11 HN VAL 11 -5.052 -23.018 5.897
97 HA VAL 11 HA VAL 11 -7.614 -22.165 6.882
98 HB VAL 11 HB VAL 11 -6.274 -20.601 8.309
99 HG11 VAL 11 HG11 VAL 11 -5.307 -22.360 9.707
100 HG12 VAL 11 HG12 VAL 11 -5.428 -23.496 8.363
101 HG13 VAL 11 HG13 VAL 11 -6.889 -22.831 9.090
102 HG21 VAL 11 HG21 VAL 11 -4.377 -20.326 6.742
103 HG22 VAL 11 HG22 VAL 11 -3.899 -21.992 7.065
104 HG23 VAL 11 HG23 VAL 11 -3.860 -20.798 8.361
105 H LEU 12 HN LEU 12 -5.294 -21.044 4.567
106 HA LEU 12 HA LEU 12 -5.217 -19.290 3.141
107 HB2 LEU 12 HB2 LEU 12 -8.123 -19.576 3.683
108 HB3 LEU 12 HB1 LEU 12 -7.593 -18.125 2.856
109 HG LEU 12 HG LEU 12 -6.450 -19.667 1.178
110 HD11 LEU 12 HD11 LEU 12 -6.461 -21.698 2.506
111 HD12 LEU 12 HD12 LEU 12 -7.358 -21.929 1.006
112 HD13 LEU 12 HD13 LEU 12 -8.224 -21.695 2.525
113 HD21 LEU 12 HD21 LEU 12 -8.474 -18.451 0.656
114 HD22 LEU 12 HD22 LEU 12 -9.453 -19.695 1.431
115 HD23 LEU 12 HD23 LEU 12 -8.549 -20.072 -0.034
116 H VAL 13 HN VAL 13 -3.857 -18.116 4.554
117 HA VAL 13 HA VAL 13 -5.032 -16.240 6.417
118 HB VAL 13 HB VAL 13 -2.752 -15.554 6.938
119 HG11 VAL 13 HG11 VAL 13 -1.882 -17.691 7.762
120 HG12 VAL 13 HG12 VAL 13 -3.011 -18.553 6.719
121 HG13 VAL 13 HG13 VAL 13 -3.619 -17.548 8.034
122 HG21 VAL 13 HG21 VAL 13 -0.821 -16.529 5.823
123 HG22 VAL 13 HG22 VAL 13 -1.832 -15.667 4.662
124 HG23 VAL 13 HG23 VAL 13 -1.880 -17.428 4.738
125 H GLY 14 HN GLY 14 -4.350 -16.247 3.119
126 HA2 GLY 14 HA2 GLY 14 -5.073 -14.437 1.732
127 HA3 GLY 14 HA1 GLY 14 -4.713 -13.335 3.052
128 H LYS 15 HN LYS 15 -3.495 -14.971 0.290
129 HA LYS 15 HA LYS 15 -0.728 -14.571 0.712
130 HB2 LYS 15 HB2 LYS 15 -2.350 -14.972 -1.798
131 HB3 LYS 15 HB1 LYS 15 -0.598 -14.821 -1.816
132 HG2 LYS 15 HG2 LYS 15 -0.723 -16.764 -0.059
133 HG3 LYS 15 HG1 LYS 15 -2.311 -17.032 -0.788
134 HD2 LYS 15 HD2 LYS 15 -1.276 -17.218 -2.994
135 HD3 LYS 15 HD1 LYS 15 0.312 -16.906 -2.289
136 HE2 LYS 15 HE2 LYS 15 0.263 -19.222 -2.509
137 HE3 LYS 15 HE1 LYS 15 -0.185 -18.970 -0.829
138 HZ1 LYS 15 HZ1 LYS 15 -1.607 -20.601 -1.897
139 HZ2 LYS 15 HZ2 LYS 15 -2.082 -19.460 -3.048
140 HZ3 LYS 15 HZ3 LYS 15 -2.496 -19.242 -1.427
141 H ALA 16 HN ALA 16 -3.215 -12.371 -0.044
142 HA ALA 16 HA ALA 16 -1.902 -10.506 -1.658
143 HB1 ALA 16 HB1 ALA 16 -3.952 -9.946 0.475
144 HB2 ALA 16 HB2 ALA 16 -4.309 -10.457 -1.175
145 HB3 ALA 16 HB3 ALA 16 -3.534 -8.900 -0.882
146 H TRP 17 HN TRP 17 -1.897 -10.899 1.857
147 HA TRP 17 HA TRP 17 -0.507 -8.533 2.482
148 HB2 TRP 17 HB2 TRP 17 -1.707 -9.890 4.162
149 HB3 TRP 17 HB1 TRP 17 -0.518 -11.173 3.968
150 HD1 TRP 17 HD1 TRP 17 -0.788 -7.556 5.288
151 HE1 TRP 17 HE1 TRP 17 1.072 -7.191 7.027
152 HE3 TRP 17 HE3 TRP 17 1.669 -12.020 4.805
153 HZ2 TRP 17 HZ2 TRP 17 3.288 -8.605 8.058
154 HZ3 TRP 17 HZ3 TRP 17 3.650 -12.436 6.206
155 HH2 TRP 17 HH2 TRP 17 4.440 -10.763 7.797
156 H GLU 18 HN GLU 18 0.585 -11.813 1.782
157 HA GLU 18 HA GLU 18 3.323 -11.420 2.234
158 HB2 GLU 18 HB2 GLU 18 2.023 -13.292 0.256
159 HB3 GLU 18 HB1 GLU 18 3.657 -13.425 0.877
160 HG2 GLU 18 HG2 GLU 18 2.786 -13.847 3.116
161 HG3 GLU 18 HG1 GLU 18 1.140 -13.677 2.509
162 H ILE 19 HN ILE 19 1.333 -11.028 -0.653
163 HA ILE 19 HA ILE 19 3.394 -10.456 -2.473
164 HB ILE 19 HB ILE 19 0.520 -9.528 -2.490
165 HG12 ILE 19 HG12 ILE 19 1.855 -11.784 -3.989
166 HG13 ILE 19 HG11 ILE 19 0.905 -11.995 -2.525
167 HG21 ILE 19 HG21 ILE 19 2.508 -9.547 -4.754
168 HG22 ILE 19 HG22 ILE 19 1.950 -8.109 -3.900
169 HG23 ILE 19 HG23 ILE 19 0.815 -9.065 -4.853
170 HD11 ILE 19 HD11 ILE 19 -0.375 -12.546 -4.523
171 HD12 ILE 19 HD12 ILE 19 -0.124 -10.913 -5.142
172 HD13 ILE 19 HD13 ILE 19 -1.073 -11.166 -3.677
173 H ARG 20 HN ARG 20 1.393 -8.321 -0.465
174 HA ARG 20 HA ARG 20 2.465 -5.887 -1.392
175 HB2 ARG 20 HB2 ARG 20 1.086 -6.653 1.173
176 HB3 ARG 20 HB1 ARG 20 1.624 -5.008 0.859
177 HG2 ARG 20 HG2 ARG 20 0.252 -5.119 -1.269
178 HG3 ARG 20 HG1 ARG 20 -0.450 -6.598 -0.613
179 HD2 ARG 20 HD2 ARG 20 -1.427 -5.463 1.193
180 HD3 ARG 20 HD1 ARG 20 -0.417 -4.039 0.955
181 HE ARG 20 HE ARG 20 -2.763 -4.802 -0.625
182 HH11 ARG 20 HH11 ARG 20 -0.204 -2.512 0.054
183 HH12 ARG 20 HH12 ARG 20 -0.925 -1.235 -0.873
184 HH21 ARG 20 HH21 ARG 20 -3.717 -3.130 -1.850
185 HH22 ARG 20 HH22 ARG 20 -2.927 -1.587 -1.960
186 H ALA 21 HN ALA 21 3.415 -8.008 1.271
187 HA ALA 21 HA ALA 21 5.414 -6.299 2.334
188 HB1 ALA 21 HB1 ALA 21 4.363 -8.216 3.551
189 HB2 ALA 21 HB2 ALA 21 6.127 -8.203 3.621
190 HB3 ALA 21 HB3 ALA 21 5.295 -9.308 2.529
191 H LYS 22 HN LYS 22 5.444 -8.795 -0.137
192 HA LYS 22 HA LYS 22 8.278 -8.824 -0.438
193 HB2 LYS 22 HB2 LYS 22 6.745 -10.696 -1.099
194 HB3 LYS 22 HB1 LYS 22 6.186 -9.705 -2.437
195 HG2 LYS 22 HG2 LYS 22 7.839 -11.314 -3.178
196 HG3 LYS 22 HG1 LYS 22 8.452 -9.668 -3.353
197 HD2 LYS 22 HD2 LYS 22 9.715 -9.910 -1.282
198 HD3 LYS 22 HD1 LYS 22 9.079 -11.541 -1.076
199 HE2 LYS 22 HE2 LYS 22 10.175 -12.243 -3.132
200 HE3 LYS 22 HE1 LYS 22 10.772 -10.604 -3.382
201 HZ1 LYS 22 HZ1 LYS 22 12.026 -10.799 -1.308
202 HZ2 LYS 22 HZ2 LYS 22 12.483 -11.982 -2.431
203 HZ3 LYS 22 HZ3 LYS 22 11.485 -12.400 -1.130
204 H LEU 23 HN LEU 23 5.617 -7.246 -2.135
205 HA LEU 23 HA LEU 23 7.158 -6.075 -4.179
206 HB2 LEU 23 HB2 LEU 23 4.433 -5.765 -3.120
207 HB3 LEU 23 HB1 LEU 23 5.092 -4.307 -3.830
208 HG LEU 23 HG LEU 23 5.444 -5.435 -5.947
209 HD11 LEU 23 HD11 LEU 23 4.363 -7.888 -4.573
210 HD12 LEU 23 HD12 LEU 23 6.009 -7.652 -5.165
211 HD13 LEU 23 HD13 LEU 23 4.664 -7.735 -6.303
212 HD21 LEU 23 HD21 LEU 23 3.281 -4.431 -5.610
213 HD22 LEU 23 HD22 LEU 23 2.693 -5.884 -4.803
214 HD23 LEU 23 HD23 LEU 23 3.090 -5.930 -6.521
215 H LYS 24 HN LYS 24 6.244 -4.900 -0.957
216 HA LYS 24 HA LYS 24 7.381 -2.314 -1.302
217 HB2 LYS 24 HB2 LYS 24 5.636 -2.899 0.384
218 HB3 LYS 24 HB1 LYS 24 6.848 -3.810 1.272
219 HG2 LYS 24 HG2 LYS 24 8.102 -1.799 1.721
220 HG3 LYS 24 HG1 LYS 24 7.012 -0.854 0.705
221 HD2 LYS 24 HD2 LYS 24 6.496 -0.542 3.066
222 HD3 LYS 24 HD1 LYS 24 5.165 -1.351 2.238
223 HE2 LYS 24 HE2 LYS 24 5.899 -3.494 3.100
224 HE3 LYS 24 HE1 LYS 24 7.295 -2.733 3.862
225 HZ1 LYS 24 HZ1 LYS 24 5.845 -1.516 5.313
226 HZ2 LYS 24 HZ2 LYS 24 5.450 -3.157 5.408
227 HZ3 LYS 24 HZ3 LYS 24 4.470 -2.106 4.521
228 H GLU 25 HN GLU 25 8.665 -5.397 -0.543
229 HA GLU 25 HA GLU 25 11.101 -4.436 0.656
230 HB2 GLU 25 HB2 GLU 25 10.366 -6.588 1.374
231 HB3 GLU 25 HB1 GLU 25 10.152 -7.141 -0.281
232 HG2 GLU 25 HG2 GLU 25 12.646 -6.912 -0.554
233 HG3 GLU 25 HG1 GLU 25 12.729 -6.670 1.189
234 H TYR 26 HN TYR 26 10.126 -5.834 -2.441
235 HA TYR 26 HA TYR 26 12.735 -5.643 -3.597
236 HB2 TYR 26 HB2 TYR 26 10.802 -7.258 -4.190
237 HB3 TYR 26 HB1 TYR 26 10.183 -5.927 -5.160
238 HD1 TYR 26 HD1 TYR 26 13.675 -7.142 -4.639
239 HD2 TYR 26 HD2 TYR 26 10.483 -6.519 -7.379
240 HE1 TYR 26 HE1 TYR 26 15.134 -7.828 -6.486
241 HE2 TYR 26 HE2 TYR 26 11.936 -7.206 -9.239
242 HH TYR 26 HH TYR 26 14.464 -7.260 -9.687
243 H GLY 27 HN GLY 27 9.821 -3.646 -3.659
244 HA2 GLY 27 HA2 GLY 27 11.375 -1.659 -5.200
245 HA3 GLY 27 HA1 GLY 27 9.662 -1.929 -5.477
246 H ARG 28 HN ARG 28 11.961 -1.002 -2.941
247 HA ARG 28 HA ARG 28 10.084 0.113 -1.175
248 HB2 ARG 28 HB2 ARG 28 12.654 -0.411 -0.910
249 HB3 ARG 28 HB1 ARG 28 12.829 1.270 -1.399
250 HG2 ARG 28 HG2 ARG 28 12.706 1.615 0.826
251 HG3 ARG 28 HG1 ARG 28 10.969 1.551 0.516
252 HD2 ARG 28 HD2 ARG 28 11.564 0.134 2.413
253 HD3 ARG 28 HD1 ARG 28 10.951 -0.826 1.069
254 HE ARG 28 HE ARG 28 13.817 -0.574 1.114
255 HH11 ARG 28 HH11 ARG 28 11.071 -2.441 2.259
256 HH12 ARG 28 HH12 ARG 28 12.009 -3.875 2.536
257 HH21 ARG 28 HH21 ARG 28 15.042 -2.468 1.470
258 HH22 ARG 28 HH22 ARG 28 14.260 -3.896 2.075
259 H THR 29 HN THR 29 9.034 2.008 -1.158
260 HA THR 29 HA THR 29 9.166 3.695 -3.470
261 HB THR 29 HB THR 29 7.483 5.013 -1.852
262 HG1 THR 29 HG1 THR 29 6.822 3.824 -0.210
263 HG21 THR 29 HG21 THR 29 5.671 3.699 -2.828
264 HG22 THR 29 HG22 THR 29 6.810 2.424 -3.253
265 HG23 THR 29 HG23 THR 29 6.925 4.005 -4.028
266 H PHE 30 HN PHE 30 11.552 4.191 -2.899
267 HA PHE 30 HA PHE 30 11.543 6.779 -1.522
268 HB2 PHE 30 HB2 PHE 30 12.412 4.787 -0.075
269 HB3 PHE 30 HB1 PHE 30 13.851 4.909 -1.081
270 HD1 PHE 30 HD2 PHE 30 11.585 7.397 0.545
271 HD2 PHE 30 HD1 PHE 30 15.558 5.959 0.029
272 HE1 PHE 30 HE2 PHE 30 12.432 9.211 1.981
273 HE2 PHE 30 HE1 PHE 30 16.406 7.767 1.458
274 HZ PHE 30 HZ PHE 30 14.839 9.399 2.437
275 H GLN 31 HN GLN 31 11.829 5.529 -4.343
276 HA GLN 31 HA GLN 31 14.432 6.546 -5.138
277 HB2 GLN 31 HB2 GLN 31 13.675 5.791 -7.435
278 HB3 GLN 31 HB1 GLN 31 13.823 4.522 -6.228
279 HG2 GLN 31 HG2 GLN 31 11.578 4.151 -6.136
280 HG3 GLN 31 HG1 GLN 31 11.173 5.811 -6.570
281 HE21 GLN 31 HE21 GLN 31 12.197 2.700 -7.805
282 HE22 GLN 31 HE22 GLN 31 11.736 2.989 -9.447
283 H TYR 32 HN TYR 32 11.894 8.144 -4.266
284 HA TYR 32 HA TYR 32 11.005 9.666 -6.446
285 HB2 TYR 32 HB2 TYR 32 11.138 10.327 -3.503
286 HB3 TYR 32 HB1 TYR 32 10.322 11.336 -4.693
287 HD1 TYR 32 HD2 TYR 32 8.243 10.598 -5.734
288 HD2 TYR 32 HD1 TYR 32 10.198 8.208 -2.806
289 HE1 TYR 32 HE2 TYR 32 6.204 9.250 -5.479
290 HE2 TYR 32 HE1 TYR 32 8.162 6.859 -2.541
291 HH TYR 32 HH TYR 32 5.761 7.085 -2.903
292 H VAL 33 HN VAL 33 13.560 10.381 -4.063
293 HA VAL 33 HA VAL 33 14.283 12.868 -5.158
294 HB VAL 33 HB VAL 33 14.944 12.246 -2.906
295 HG11 VAL 33 HG11 VAL 33 15.333 9.886 -3.163
296 HG12 VAL 33 HG12 VAL 33 16.791 10.643 -2.518
297 HG13 VAL 33 HG13 VAL 33 16.711 10.192 -4.221
298 HG21 VAL 33 HG21 VAL 33 17.358 12.672 -4.654
299 HG22 VAL 33 HG22 VAL 33 17.248 13.017 -2.927
300 HG23 VAL 33 HG23 VAL 33 16.269 13.932 -4.074
301 H LYS 34 HN LYS 34 15.319 9.602 -5.886
302 HA LYS 34 HA LYS 34 17.485 10.296 -7.580
303 HB2 LYS 34 HB2 LYS 34 17.480 8.107 -6.671
304 HB3 LYS 34 HB1 LYS 34 15.839 7.800 -7.217
305 HG2 LYS 34 HG2 LYS 34 16.629 7.802 -9.543
306 HG3 LYS 34 HG1 LYS 34 18.278 8.053 -8.965
307 HD2 LYS 34 HD2 LYS 34 16.773 5.791 -7.793
308 HD3 LYS 34 HD1 LYS 34 17.264 5.630 -9.478
309 HE2 LYS 34 HE2 LYS 34 19.553 5.887 -8.934
310 HE3 LYS 34 HE1 LYS 34 19.175 6.432 -7.304
311 HZ1 LYS 34 HZ1 LYS 34 19.952 4.139 -7.351
312 HZ2 LYS 34 HZ2 LYS 34 18.655 3.704 -8.347
313 HZ3 LYS 34 HZ3 LYS 34 18.368 4.242 -6.768
314 H ASP 35 HN ASP 35 14.105 9.428 -8.166
315 HA ASP 35 HA ASP 35 14.207 9.582 -10.986
316 HB2 ASP 35 HB2 ASP 35 12.394 8.496 -9.573
317 HB3 ASP 35 HB1 ASP 35 11.781 10.119 -9.265
318 H TRP 36 HN TRP 36 13.618 11.926 -8.464
319 HA TRP 36 HA TRP 36 12.689 14.053 -10.058
320 HB2 TRP 36 HB2 TRP 36 12.804 13.706 -7.440
321 HB3 TRP 36 HB1 TRP 36 14.334 14.557 -7.608
322 HD1 TRP 36 HD1 TRP 36 14.252 17.146 -8.001
323 HE1 TRP 36 HE1 TRP 36 12.350 18.882 -7.996
324 HE3 TRP 36 HE3 TRP 36 10.260 13.960 -8.073
325 HZ2 TRP 36 HZ2 TRP 36 9.525 18.893 -8.006
326 HZ3 TRP 36 HZ3 TRP 36 7.988 14.913 -8.066
327 HH2 TRP 36 HH2 TRP 36 7.630 17.327 -8.032
328 H ILE 37 HN ILE 37 15.950 13.253 -8.875
329 HA ILE 37 HA ILE 37 17.071 15.349 -10.565
330 HB ILE 37 HB ILE 37 18.611 13.479 -8.768
331 HG12 ILE 37 HG12 ILE 37 16.886 14.628 -7.434
332 HG13 ILE 37 HG11 ILE 37 18.495 15.218 -7.036
333 HG21 ILE 37 HG21 ILE 37 19.915 14.732 -10.435
334 HG22 ILE 37 HG22 ILE 37 20.296 15.239 -8.790
335 HG23 ILE 37 HG23 ILE 37 19.256 16.240 -9.804
336 HD11 ILE 37 HD11 ILE 37 18.078 17.163 -8.529
337 HD12 ILE 37 HD12 ILE 37 17.010 17.073 -7.130
338 HD13 ILE 37 HD13 ILE 37 16.420 16.594 -8.720
339 H SER 38 HN SER 38 16.249 14.091 -12.441
340 HA SER 38 HA SER 38 18.395 12.380 -13.446
341 HB2 SER 38 HB2 SER 38 15.454 11.691 -13.412
342 HB3 SER 38 HB1 SER 38 16.562 10.969 -14.578
343 HG SER 38 HG SER 38 16.654 10.793 -11.741
344 H LYS 39 HN LYS 39 18.892 14.485 -14.395
345 HA LYS 39 HA LYS 39 19.040 15.895 -16.163
346 HB2 LYS 39 HB2 LYS 39 17.377 13.797 -17.561
347 HB3 LYS 39 HB1 LYS 39 18.219 15.117 -18.358
348 HG2 LYS 39 HG2 LYS 39 20.346 14.227 -17.750
349 HG3 LYS 39 HG1 LYS 39 19.601 13.011 -16.715
350 HD2 LYS 39 HD2 LYS 39 19.120 13.175 -19.685
351 HD3 LYS 39 HD1 LYS 39 20.393 12.192 -18.964
352 HE2 LYS 39 HE2 LYS 39 17.967 11.654 -17.585
353 HE3 LYS 39 HE1 LYS 39 17.643 11.554 -19.313
354 HZ1 LYS 39 HZ1 LYS 39 19.807 10.102 -17.888
355 HZ2 LYS 39 HZ2 LYS 39 19.452 9.983 -19.532
356 HZ3 LYS 39 HZ3 LYS 39 18.342 9.427 -18.388
357 HA PRO 40 HA PRO 40 14.723 17.456 -15.164
358 HB2 PRO 40 HB2 PRO 40 16.216 19.738 -14.052
359 HB3 PRO 40 HB1 PRO 40 14.934 18.770 -13.318
360 HG2 PRO 40 HG2 PRO 40 17.479 18.579 -12.494
361 HG3 PRO 40 HG1 PRO 40 16.402 17.169 -12.537
362 HD2 PRO 40 HD2 PRO 40 18.536 17.979 -14.484
363 HD3 PRO 40 HD1 PRO 40 18.162 16.369 -13.832
Start of MODEL 13
1 H1 MET 1 HT1 MET 1 -11.413 -24.745 24.076
2 H2 MET 1 HT2 MET 1 -12.953 -24.161 23.717
3 H3 MET 1 HT3 MET 1 -12.363 -24.065 25.297
4 HA MET 1 HA MET 1 -12.285 -21.927 24.201
5 HB2 MET 1 HB2 MET 1 -10.593 -22.577 25.919
6 HB3 MET 1 HB1 MET 1 -9.523 -23.089 24.619
7 HG2 MET 1 HG2 MET 1 -9.479 -20.810 23.752
8 HG3 MET 1 HG1 MET 1 -10.567 -20.298 25.042
9 HE1 MET 1 HE1 MET 1 -8.964 -18.386 25.836
10 HE2 MET 1 HE2 MET 1 -7.869 -18.781 24.514
11 HE3 MET 1 HE3 MET 1 -7.243 -18.607 26.152
12 H LYS 2 HN LYS 2 -10.007 -24.214 22.665
13 HA LYS 2 HA LYS 2 -9.790 -22.468 20.359
14 HB2 LYS 2 HB2 LYS 2 -8.540 -25.158 20.947
15 HB3 LYS 2 HB1 LYS 2 -8.180 -24.172 19.534
16 HG2 LYS 2 HG2 LYS 2 -7.408 -22.372 21.070
17 HG3 LYS 2 HG1 LYS 2 -7.623 -23.494 22.415
18 HD2 LYS 2 HD2 LYS 2 -5.540 -24.187 22.042
19 HD3 LYS 2 HD1 LYS 2 -6.123 -24.908 20.542
20 HE2 LYS 2 HE2 LYS 2 -5.227 -22.044 20.755
21 HE3 LYS 2 HE1 LYS 2 -4.134 -23.361 20.335
22 HZ1 LYS 2 HZ1 LYS 2 -5.026 -22.199 18.387
23 HZ2 LYS 2 HZ2 LYS 2 -6.592 -22.653 18.826
24 HZ3 LYS 2 HZ3 LYS 2 -5.458 -23.832 18.400
25 H VAL 3 HN VAL 3 -10.831 -22.728 18.483
26 HA VAL 3 HA VAL 3 -12.812 -24.850 18.319
27 HB VAL 3 HB VAL 3 -13.581 -23.605 16.266
28 HG11 VAL 3 HG11 VAL 3 -14.648 -21.806 17.532
29 HG12 VAL 3 HG12 VAL 3 -13.518 -22.065 18.858
30 HG13 VAL 3 HG13 VAL 3 -14.675 -23.325 18.425
31 HG21 VAL 3 HG21 VAL 3 -11.391 -22.468 15.862
32 HG22 VAL 3 HG22 VAL 3 -11.731 -21.436 17.250
33 HG23 VAL 3 HG23 VAL 3 -12.785 -21.386 15.837
34 H HIS 4 HN HIS 4 -12.489 -26.642 17.200
35 HA HIS 4 HA HIS 4 -10.937 -26.605 14.770
36 HB2 HIS 4 HB2 HIS 4 -9.415 -28.446 15.522
37 HB3 HIS 4 HB1 HIS 4 -9.124 -26.899 16.302
38 HD1 HIS 4 HD1 HIS 4 -10.032 -30.415 17.015
39 HD2 HIS 4 HD2 HIS 4 -9.868 -26.796 19.051
40 HE1 HIS 4 HE1 HIS 4 -10.171 -31.006 19.455
41 HE2 HIS 4 HE2 HIS 4 -9.940 -28.811 20.667
42 H ARG 5 HN ARG 5 -13.497 -27.023 14.748
43 HA ARG 5 HA ARG 5 -13.723 -29.873 14.137
44 HB2 ARG 5 HB2 ARG 5 -14.761 -29.059 16.457
45 HB3 ARG 5 HB1 ARG 5 -16.099 -28.604 15.409
46 HG2 ARG 5 HG2 ARG 5 -16.384 -30.853 14.669
47 HG3 ARG 5 HG1 ARG 5 -14.886 -31.357 15.453
48 HD2 ARG 5 HD2 ARG 5 -16.021 -30.549 17.626
49 HD3 ARG 5 HD1 ARG 5 -17.516 -30.635 16.693
50 HE ARG 5 HE ARG 5 -16.385 -33.057 16.273
51 HH11 ARG 5 HH11 ARG 5 -17.192 -31.239 19.144
52 HH12 ARG 5 HH12 ARG 5 -17.411 -32.644 20.133
53 HH21 ARG 5 HH21 ARG 5 -16.657 -34.919 17.557
54 HH22 ARG 5 HH22 ARG 5 -17.075 -34.753 19.234
55 H MET 6 HN MET 6 -13.228 -28.064 12.295
56 HA MET 6 HA MET 6 -13.868 -27.182 10.315
57 HB2 MET 6 HB2 MET 6 -14.910 -29.594 10.324
58 HB3 MET 6 HB1 MET 6 -16.431 -28.715 10.393
59 HG2 MET 6 HG2 MET 6 -15.955 -27.596 8.335
60 HG3 MET 6 HG1 MET 6 -14.324 -28.261 8.297
61 HE1 MET 6 HE1 MET 6 -15.998 -28.726 5.591
62 HE2 MET 6 HE2 MET 6 -15.412 -30.379 5.409
63 HE3 MET 6 HE3 MET 6 -14.353 -29.139 6.074
64 HA PRO 7 HA PRO 7 -16.885 -24.246 12.189
65 HB2 PRO 7 HB2 PRO 7 -15.258 -22.148 12.532
66 HB3 PRO 7 HB1 PRO 7 -15.296 -23.480 13.695
67 HG2 PRO 7 HG2 PRO 7 -13.294 -22.858 11.578
68 HG3 PRO 7 HG1 PRO 7 -13.045 -23.550 13.188
69 HD2 PRO 7 HD2 PRO 7 -13.158 -24.977 10.787
70 HD3 PRO 7 HD1 PRO 7 -13.302 -25.671 12.413
71 H LYS 8 HN LYS 8 -17.724 -22.265 11.292
72 HA LYS 8 HA LYS 8 -17.077 -21.985 8.444
73 HB2 LYS 8 HB2 LYS 8 -19.550 -21.214 10.004
74 HB3 LYS 8 HB1 LYS 8 -19.314 -20.872 8.298
75 HG2 LYS 8 HG2 LYS 8 -19.418 -23.132 7.709
76 HG3 LYS 8 HG1 LYS 8 -19.168 -23.669 9.369
77 HD2 LYS 8 HD2 LYS 8 -21.465 -24.012 8.882
78 HD3 LYS 8 HD1 LYS 8 -21.383 -22.593 9.923
79 HE2 LYS 8 HE2 LYS 8 -21.226 -21.413 7.510
80 HE3 LYS 8 HE1 LYS 8 -22.179 -22.836 7.093
81 HZ1 LYS 8 HZ1 LYS 8 -22.827 -20.761 9.105
82 HZ2 LYS 8 HZ2 LYS 8 -23.662 -22.226 8.987
83 HZ3 LYS 8 HZ3 LYS 8 -23.687 -21.137 7.697
84 H GLY 9 HN GLY 9 -16.251 -20.127 7.670
85 HA2 GLY 9 HA2 GLY 9 -16.534 -17.650 9.137
86 HA3 GLY 9 HA1 GLY 9 -14.901 -18.293 9.100
87 H VAL 10 HN VAL 10 -13.954 -16.746 7.863
88 HA VAL 10 HA VAL 10 -14.980 -16.501 5.114
89 HB VAL 10 HB VAL 10 -13.717 -14.207 5.202
90 HG11 VAL 10 HG11 VAL 10 -16.078 -14.398 4.763
91 HG12 VAL 10 HG12 VAL 10 -15.814 -13.109 5.938
92 HG13 VAL 10 HG13 VAL 10 -16.411 -14.680 6.470
93 HG21 VAL 10 HG21 VAL 10 -12.765 -14.487 7.432
94 HG22 VAL 10 HG22 VAL 10 -14.383 -14.638 8.118
95 HG23 VAL 10 HG23 VAL 10 -13.869 -13.115 7.393
96 H VAL 11 HN VAL 11 -13.671 -17.814 3.976
97 HA VAL 11 HA VAL 11 -10.803 -17.806 4.528
98 HB VAL 11 HB VAL 11 -10.705 -19.623 2.799
99 HG11 VAL 11 HG11 VAL 11 -12.622 -20.162 5.063
100 HG12 VAL 11 HG12 VAL 11 -10.869 -20.059 5.232
101 HG13 VAL 11 HG13 VAL 11 -11.588 -21.335 4.247
102 HG21 VAL 11 HG21 VAL 11 -12.733 -20.668 2.027
103 HG22 VAL 11 HG22 VAL 11 -12.768 -18.960 1.590
104 HG23 VAL 11 HG23 VAL 11 -13.714 -19.539 2.960
105 H LEU 12 HN LEU 12 -12.110 -15.490 3.385
106 HA LEU 12 HA LEU 12 -11.433 -15.357 0.604
107 HB2 LEU 12 HB2 LEU 12 -12.069 -13.112 2.517
108 HB3 LEU 12 HB1 LEU 12 -12.065 -13.016 0.767
109 HG LEU 12 HG LEU 12 -13.987 -14.601 2.470
110 HD11 LEU 12 HD11 LEU 12 -15.644 -13.053 1.400
111 HD12 LEU 12 HD12 LEU 12 -14.275 -12.108 0.810
112 HD13 LEU 12 HD13 LEU 12 -14.538 -12.292 2.545
113 HD21 LEU 12 HD21 LEU 12 -13.727 -14.398 -0.526
114 HD22 LEU 12 HD22 LEU 12 -15.139 -15.052 0.305
115 HD23 LEU 12 HD23 LEU 12 -13.572 -15.849 0.464
116 H VAL 13 HN VAL 13 -9.733 -14.964 3.528
117 HA VAL 13 HA VAL 13 -7.753 -13.120 2.579
118 HB VAL 13 HB VAL 13 -7.562 -15.013 4.930
119 HG11 VAL 13 HG11 VAL 13 -5.426 -14.062 4.249
120 HG12 VAL 13 HG12 VAL 13 -5.943 -13.399 5.797
121 HG13 VAL 13 HG13 VAL 13 -6.109 -12.438 4.328
122 HG21 VAL 13 HG21 VAL 13 -8.601 -12.182 4.859
123 HG22 VAL 13 HG22 VAL 13 -8.342 -13.150 6.310
124 HG23 VAL 13 HG23 VAL 13 -9.560 -13.636 5.130
125 H GLY 14 HN GLY 14 -6.245 -13.631 1.139
126 HA2 GLY 14 HA2 GLY 14 -5.360 -16.442 0.971
127 HA3 GLY 14 HA1 GLY 14 -5.368 -15.317 -0.379
128 H LYS 15 HN LYS 15 -3.454 -14.541 -0.922
129 HA LYS 15 HA LYS 15 -1.398 -14.304 1.182
130 HB2 LYS 15 HB2 LYS 15 -1.174 -15.244 -1.665
131 HB3 LYS 15 HB1 LYS 15 0.221 -14.568 -0.835
132 HG2 LYS 15 HG2 LYS 15 0.578 -16.720 -0.282
133 HG3 LYS 15 HG1 LYS 15 -0.570 -16.355 1.006
134 HD2 LYS 15 HD2 LYS 15 -1.698 -18.135 0.227
135 HD3 LYS 15 HD1 LYS 15 -2.234 -17.041 -1.051
136 HE2 LYS 15 HE2 LYS 15 0.247 -18.738 -1.219
137 HE3 LYS 15 HE1 LYS 15 -1.320 -19.228 -1.847
138 HZ1 LYS 15 HZ1 LYS 15 -1.287 -17.271 -3.295
139 HZ2 LYS 15 HZ2 LYS 15 0.023 -18.301 -3.593
140 HZ3 LYS 15 HZ3 LYS 15 0.254 -16.872 -2.722
141 H ALA 16 HN ALA 16 -3.189 -12.264 0.643
142 HA ALA 16 HA ALA 16 -2.259 -10.385 -1.261
143 HB1 ALA 16 HB1 ALA 16 -3.915 -9.896 1.209
144 HB2 ALA 16 HB2 ALA 16 -4.543 -10.380 -0.368
145 HB3 ALA 16 HB3 ALA 16 -3.753 -8.814 -0.176
146 H TRP 17 HN TRP 17 -1.717 -10.737 2.226
147 HA TRP 17 HA TRP 17 -0.137 -8.383 2.450
148 HB2 TRP 17 HB2 TRP 17 -0.183 -10.804 4.263
149 HB3 TRP 17 HB1 TRP 17 0.483 -9.223 4.663
150 HD1 TRP 17 HD1 TRP 17 -2.539 -11.187 5.160
151 HE1 TRP 17 HE1 TRP 17 -4.534 -9.712 5.834
152 HE3 TRP 17 HE3 TRP 17 -0.613 -6.608 3.939
153 HZ2 TRP 17 HZ2 TRP 17 -5.201 -6.969 5.849
154 HZ3 TRP 17 HZ3 TRP 17 -1.998 -4.613 4.316
155 HH2 TRP 17 HH2 TRP 17 -4.248 -4.789 5.252
156 H GLU 18 HN GLU 18 0.515 -11.699 1.647
157 HA GLU 18 HA GLU 18 3.317 -11.639 2.006
158 HB2 GLU 18 HB2 GLU 18 1.432 -13.419 0.510
159 HB3 GLU 18 HB1 GLU 18 3.166 -13.585 0.260
160 HG2 GLU 18 HG2 GLU 18 2.512 -15.161 1.908
161 HG3 GLU 18 HG1 GLU 18 3.413 -13.886 2.726
162 H ILE 19 HN ILE 19 1.269 -11.137 -0.874
163 HA ILE 19 HA ILE 19 3.500 -10.655 -2.583
164 HB ILE 19 HB ILE 19 1.320 -11.367 -3.484
165 HG12 ILE 19 HG12 ILE 19 2.122 -8.660 -4.577
166 HG13 ILE 19 HG11 ILE 19 2.997 -10.158 -4.893
167 HG21 ILE 19 HG21 ILE 19 0.383 -8.606 -2.745
168 HG22 ILE 19 HG22 ILE 19 -0.167 -10.126 -2.041
169 HG23 ILE 19 HG23 ILE 19 -0.512 -9.762 -3.732
170 HD11 ILE 19 HD11 ILE 19 1.058 -11.083 -6.001
171 HD12 ILE 19 HD12 ILE 19 1.509 -9.541 -6.730
172 HD13 ILE 19 HD13 ILE 19 0.127 -9.629 -5.634
173 H ARG 20 HN ARG 20 1.464 -8.620 -0.572
174 HA ARG 20 HA ARG 20 2.310 -6.113 -1.564
175 HB2 ARG 20 HB2 ARG 20 1.114 -7.026 1.037
176 HB3 ARG 20 HB1 ARG 20 1.643 -5.363 0.833
177 HG2 ARG 20 HG2 ARG 20 0.084 -5.035 -0.969
178 HG3 ARG 20 HG1 ARG 20 -0.365 -6.744 -0.936
179 HD2 ARG 20 HD2 ARG 20 -1.291 -6.509 1.272
180 HD3 ARG 20 HD1 ARG 20 -0.714 -4.849 1.376
181 HE ARG 20 HE ARG 20 -2.725 -5.655 -0.616
182 HH11 ARG 20 HH11 ARG 20 -1.674 -3.574 2.003
183 HH12 ARG 20 HH12 ARG 20 -3.060 -2.538 1.897
184 HH21 ARG 20 HH21 ARG 20 -4.542 -4.282 -0.749
185 HH22 ARG 20 HH22 ARG 20 -4.687 -2.942 0.343
186 H ALA 21 HN ALA 21 3.436 -8.110 1.138
187 HA ALA 21 HA ALA 21 5.393 -6.387 2.127
188 HB1 ALA 21 HB1 ALA 21 5.518 -9.395 2.134
189 HB2 ALA 21 HB2 ALA 21 4.549 -8.438 3.252
190 HB3 ALA 21 HB3 ALA 21 6.305 -8.292 3.259
191 H LYS 22 HN LYS 22 5.650 -8.960 -0.305
192 HA LYS 22 HA LYS 22 8.418 -8.750 -0.741
193 HB2 LYS 22 HB2 LYS 22 6.814 -10.591 -1.508
194 HB3 LYS 22 HB1 LYS 22 6.422 -9.528 -2.855
195 HG2 LYS 22 HG2 LYS 22 8.766 -9.527 -3.543
196 HG3 LYS 22 HG1 LYS 22 9.163 -10.584 -2.187
197 HD2 LYS 22 HD2 LYS 22 7.564 -12.264 -3.129
198 HD3 LYS 22 HD1 LYS 22 7.405 -11.225 -4.551
199 HE2 LYS 22 HE2 LYS 22 9.813 -11.419 -4.951
200 HE3 LYS 22 HE1 LYS 22 9.967 -12.451 -3.529
201 HZ1 LYS 22 HZ1 LYS 22 9.877 -13.846 -5.418
202 HZ2 LYS 22 HZ2 LYS 22 8.520 -13.055 -6.043
203 HZ3 LYS 22 HZ3 LYS 22 8.383 -13.997 -4.645
204 H LEU 23 HN LEU 23 5.674 -7.179 -2.361
205 HA LEU 23 HA LEU 23 7.239 -5.832 -4.300
206 HB2 LEU 23 HB2 LEU 23 4.445 -5.727 -3.384
207 HB3 LEU 23 HB1 LEU 23 5.057 -4.226 -4.050
208 HG LEU 23 HG LEU 23 5.637 -5.358 -6.136
209 HD11 LEU 23 HD11 LEU 23 6.152 -7.567 -5.329
210 HD12 LEU 23 HD12 LEU 23 4.863 -7.669 -6.529
211 HD13 LEU 23 HD13 LEU 23 4.483 -7.807 -4.812
212 HD21 LEU 23 HD21 LEU 23 3.414 -4.367 -5.861
213 HD22 LEU 23 HD22 LEU 23 2.804 -5.917 -5.281
214 HD23 LEU 23 HD23 LEU 23 3.389 -5.762 -6.939
215 H LYS 24 HN LYS 24 6.395 -5.061 -1.012
216 HA LYS 24 HA LYS 24 7.228 -2.313 -1.225
217 HB2 LYS 24 HB2 LYS 24 6.440 -4.078 1.082
218 HB3 LYS 24 HB1 LYS 24 7.080 -2.461 1.340
219 HG2 LYS 24 HG2 LYS 24 5.249 -1.467 0.183
220 HG3 LYS 24 HG1 LYS 24 4.671 -3.040 -0.364
221 HD2 LYS 24 HD2 LYS 24 3.323 -2.198 1.498
222 HD3 LYS 24 HD1 LYS 24 4.182 -3.672 1.947
223 HE2 LYS 24 HE2 LYS 24 4.299 -2.079 3.753
224 HE3 LYS 24 HE1 LYS 24 5.901 -2.297 3.059
225 HZ1 LYS 24 HZ1 LYS 24 5.778 -0.036 3.243
226 HZ2 LYS 24 HZ2 LYS 24 4.121 0.030 2.918
227 HZ3 LYS 24 HZ3 LYS 24 5.216 -0.237 1.662
228 H GLU 25 HN GLU 25 8.674 -5.352 -0.286
229 HA GLU 25 HA GLU 25 11.019 -4.074 0.832
230 HB2 GLU 25 HB2 GLU 25 9.852 -6.447 1.336
231 HB3 GLU 25 HB1 GLU 25 11.064 -6.965 0.172
232 HG2 GLU 25 HG2 GLU 25 11.823 -7.159 2.500
233 HG3 GLU 25 HG1 GLU 25 12.832 -6.081 1.538
234 H TYR 26 HN TYR 26 10.139 -5.753 -2.134
235 HA TYR 26 HA TYR 26 12.832 -5.595 -3.193
236 HB2 TYR 26 HB2 TYR 26 11.478 -7.555 -3.705
237 HB3 TYR 26 HB1 TYR 26 10.230 -6.541 -4.417
238 HD1 TYR 26 HD2 TYR 26 13.853 -7.371 -4.827
239 HD2 TYR 26 HD1 TYR 26 10.211 -6.222 -6.704
240 HE1 TYR 26 HE2 TYR 26 14.920 -7.604 -7.029
241 HE2 TYR 26 HE1 TYR 26 11.272 -6.448 -8.907
242 HH TYR 26 HH TYR 26 13.447 -6.459 -9.916
243 H GLY 27 HN GLY 27 10.022 -3.641 -3.148
244 HA2 GLY 27 HA2 GLY 27 10.827 -2.184 -5.559
245 HA3 GLY 27 HA1 GLY 27 9.309 -1.988 -4.698
246 H ARG 28 HN ARG 28 9.146 -0.502 -3.101
247 HA ARG 28 HA ARG 28 9.567 1.394 -1.941
248 HB2 ARG 28 HB2 ARG 28 11.889 -0.311 -1.471
249 HB3 ARG 28 HB1 ARG 28 12.256 1.397 -1.283
250 HG2 ARG 28 HG2 ARG 28 10.225 1.515 0.237
251 HG3 ARG 28 HG1 ARG 28 10.248 -0.251 0.221
252 HD2 ARG 28 HD2 ARG 28 12.582 -0.177 1.026
253 HD3 ARG 28 HD1 ARG 28 12.466 1.578 1.143
254 HE ARG 28 HE ARG 28 11.236 -0.397 2.893
255 HH11 ARG 28 HH11 ARG 28 11.488 2.972 1.957
256 HH12 ARG 28 HH12 ARG 28 10.776 3.566 3.422
257 HH21 ARG 28 HH21 ARG 28 10.298 0.387 4.830
258 HH22 ARG 28 HH22 ARG 28 10.101 2.096 5.055
259 H THR 29 HN THR 29 9.604 1.707 -4.653
260 HA THR 29 HA THR 29 11.911 3.144 -5.562
261 HB THR 29 HB THR 29 10.004 3.826 -7.344
262 HG1 THR 29 HG1 THR 29 8.242 2.714 -7.023
263 HG21 THR 29 HG21 THR 29 11.373 1.140 -7.142
264 HG22 THR 29 HG22 THR 29 12.041 2.599 -7.875
265 HG23 THR 29 HG23 THR 29 10.648 1.803 -8.605
266 H PHE 30 HN PHE 30 11.572 4.476 -3.392
267 HA PHE 30 HA PHE 30 10.029 6.895 -4.091
268 HB2 PHE 30 HB2 PHE 30 10.661 5.960 -1.288
269 HB3 PHE 30 HB1 PHE 30 9.593 7.278 -1.757
270 HD1 PHE 30 HD2 PHE 30 7.633 6.529 -3.392
271 HD2 PHE 30 HD1 PHE 30 9.700 3.975 -0.689
272 HE1 PHE 30 HE2 PHE 30 5.732 4.965 -3.421
273 HE2 PHE 30 HE1 PHE 30 7.804 2.408 -0.710
274 HZ PHE 30 HZ PHE 30 5.821 2.900 -2.078
275 H GLN 31 HN GLN 31 12.615 6.597 -5.012
276 HA GLN 31 HA GLN 31 14.383 7.959 -3.155
277 HB2 GLN 31 HB2 GLN 31 14.708 6.424 -5.607
278 HB3 GLN 31 HB1 GLN 31 15.667 7.895 -5.614
279 HG2 GLN 31 HG2 GLN 31 16.840 5.885 -4.735
280 HG3 GLN 31 HG1 GLN 31 16.808 7.261 -3.632
281 HE21 GLN 31 HE21 GLN 31 15.609 4.058 -4.255
282 HE22 GLN 31 HE22 GLN 31 14.969 3.775 -2.672
283 H TYR 32 HN TYR 32 12.223 8.747 -5.663
284 HA TYR 32 HA TYR 32 13.323 11.068 -6.721
285 HB2 TYR 32 HB2 TYR 32 10.593 9.945 -6.506
286 HB3 TYR 32 HB1 TYR 32 10.711 11.668 -6.851
287 HD1 TYR 32 HD1 TYR 32 12.193 12.371 -8.825
288 HD2 TYR 32 HD2 TYR 32 10.826 8.387 -8.229
289 HE1 TYR 32 HE1 TYR 32 12.598 11.883 -11.201
290 HE2 TYR 32 HE2 TYR 32 11.233 7.891 -10.601
291 HH TYR 32 HH TYR 32 12.729 10.260 -12.751
292 H VAL 33 HN VAL 33 11.491 10.633 -3.734
293 HA VAL 33 HA VAL 33 11.075 13.383 -3.226
294 HB VAL 33 HB VAL 33 9.761 11.603 -2.121
295 HG11 VAL 33 HG11 VAL 33 10.666 10.373 -0.231
296 HG12 VAL 33 HG12 VAL 33 12.244 11.120 -0.483
297 HG13 VAL 33 HG13 VAL 33 11.585 10.022 -1.696
298 HG21 VAL 33 HG21 VAL 33 9.700 13.802 -1.157
299 HG22 VAL 33 HG22 VAL 33 11.202 13.505 -0.282
300 HG23 VAL 33 HG23 VAL 33 9.744 12.615 0.147
301 H LYS 34 HN LYS 34 13.783 11.283 -2.714
302 HA LYS 34 HA LYS 34 15.131 13.227 -1.009
303 HB2 LYS 34 HB2 LYS 34 15.706 10.404 -1.853
304 HB3 LYS 34 HB1 LYS 34 16.998 11.407 -1.207
305 HG2 LYS 34 HG2 LYS 34 16.089 11.467 0.895
306 HG3 LYS 34 HG1 LYS 34 14.446 11.205 0.307
307 HD2 LYS 34 HD2 LYS 34 16.491 9.051 -0.014
308 HD3 LYS 34 HD1 LYS 34 15.720 9.293 1.556
309 HE2 LYS 34 HE2 LYS 34 13.508 9.084 0.460
310 HE3 LYS 34 HE1 LYS 34 14.323 8.739 -1.064
311 HZ1 LYS 34 HZ1 LYS 34 14.831 7.106 1.346
312 HZ2 LYS 34 HZ2 LYS 34 15.090 6.701 -0.278
313 HZ3 LYS 34 HZ3 LYS 34 13.517 6.783 0.334
314 H ASP 35 HN ASP 35 14.764 12.474 -4.255
315 HA ASP 35 HA ASP 35 17.358 13.437 -5.112
316 HB2 ASP 35 HB2 ASP 35 16.291 11.574 -6.314
317 HB3 ASP 35 HB1 ASP 35 14.930 12.612 -6.717
318 H TRP 36 HN TRP 36 13.988 14.461 -5.126
319 HA TRP 36 HA TRP 36 14.690 16.987 -6.366
320 HB2 TRP 36 HB2 TRP 36 12.053 15.895 -5.365
321 HB3 TRP 36 HB1 TRP 36 12.242 17.487 -6.090
322 HD1 TRP 36 HD1 TRP 36 10.925 14.380 -7.054
323 HE1 TRP 36 HE1 TRP 36 11.161 13.906 -9.571
324 HE3 TRP 36 HE3 TRP 36 14.506 17.847 -8.211
325 HZ2 TRP 36 HZ2 TRP 36 12.674 14.866 -11.757
326 HZ3 TRP 36 HZ3 TRP 36 15.290 18.003 -10.532
327 HH2 TRP 36 HH2 TRP 36 14.391 16.544 -12.270
328 H ILE 37 HN ILE 37 15.336 18.680 -5.253
329 HA ILE 37 HA ILE 37 15.407 18.665 -2.400
330 HB ILE 37 HB ILE 37 16.329 20.965 -2.615
331 HG12 ILE 37 HG12 ILE 37 16.050 20.464 -5.589
332 HG13 ILE 37 HG11 ILE 37 15.075 21.599 -4.661
333 HG21 ILE 37 HG21 ILE 37 17.791 19.038 -2.623
334 HG22 ILE 37 HG22 ILE 37 18.410 20.269 -3.722
335 HG23 ILE 37 HG23 ILE 37 17.579 18.851 -4.362
336 HD11 ILE 37 HD11 ILE 37 16.784 22.813 -5.801
337 HD12 ILE 37 HD12 ILE 37 18.036 21.746 -5.165
338 HD13 ILE 37 HD13 ILE 37 17.155 22.817 -4.077
339 H SER 38 HN SER 38 14.231 19.810 -0.949
340 HA SER 38 HA SER 38 11.672 20.835 -1.883
341 HB2 SER 38 HB2 SER 38 11.657 20.969 0.872
342 HB3 SER 38 HB1 SER 38 11.066 19.613 -0.086
343 HG SER 38 HG SER 38 12.718 18.458 0.526
344 H LYS 39 HN LYS 39 14.316 22.267 -2.075
345 HA LYS 39 HA LYS 39 13.513 24.711 -0.646
346 HB2 LYS 39 HB2 LYS 39 15.662 23.601 0.139
347 HB3 LYS 39 HB1 LYS 39 16.342 24.014 -1.430
348 HG2 LYS 39 HG2 LYS 39 15.891 26.396 -0.958
349 HG3 LYS 39 HG1 LYS 39 15.314 25.940 0.647
350 HD2 LYS 39 HD2 LYS 39 17.561 24.880 1.036
351 HD3 LYS 39 HD1 LYS 39 18.095 25.621 -0.473
352 HE2 LYS 39 HE2 LYS 39 18.778 27.068 1.281
353 HE3 LYS 39 HE1 LYS 39 17.401 27.838 0.491
354 HZ1 LYS 39 HZ1 LYS 39 17.036 26.145 2.883
355 HZ2 LYS 39 HZ2 LYS 39 16.016 27.345 2.269
356 HZ3 LYS 39 HZ3 LYS 39 17.461 27.776 3.029
357 HA PRO 40 HA PRO 40 13.345 26.198 -4.864
358 HB2 PRO 40 HB2 PRO 40 12.015 28.480 -4.336
359 HB3 PRO 40 HB1 PRO 40 11.216 26.905 -4.323
360 HG2 PRO 40 HG2 PRO 40 12.091 28.605 -2.046
361 HG3 PRO 40 HG1 PRO 40 10.682 27.543 -2.177
362 HD2 PRO 40 HD2 PRO 40 13.081 26.937 -0.879
363 HD3 PRO 40 HD1 PRO 40 11.840 25.766 -1.367
Start of MODEL 14
1 H1 MET 1 HT1 MET 1 13.235 -0.393 13.479
2 H2 MET 1 HT2 MET 1 13.639 -1.979 13.066
3 H3 MET 1 HT3 MET 1 12.960 -1.650 14.574
4 HA MET 1 HA MET 1 10.953 -0.796 13.367
5 HB2 MET 1 HB2 MET 1 12.281 -0.674 11.190
6 HB3 MET 1 HB1 MET 1 12.097 -2.418 11.098
7 HG2 MET 1 HG2 MET 1 10.361 -1.668 9.786
8 HG3 MET 1 HG1 MET 1 9.569 -1.925 11.340
9 HE1 MET 1 HE1 MET 1 10.813 0.558 8.692
10 HE2 MET 1 HE2 MET 1 11.872 1.090 10.001
11 HE3 MET 1 HE3 MET 1 10.576 2.140 9.430
12 H LYS 2 HN LYS 2 12.659 -3.867 12.764
13 HA LYS 2 HA LYS 2 12.217 -6.017 13.307
14 HB2 LYS 2 HB2 LYS 2 10.533 -4.655 15.396
15 HB3 LYS 2 HB1 LYS 2 10.633 -6.406 15.277
16 HG2 LYS 2 HG2 LYS 2 13.100 -6.222 15.532
17 HG3 LYS 2 HG1 LYS 2 12.892 -4.491 15.815
18 HD2 LYS 2 HD2 LYS 2 11.665 -4.872 17.804
19 HD3 LYS 2 HD1 LYS 2 11.484 -6.591 17.446
20 HE2 LYS 2 HE2 LYS 2 13.971 -6.798 17.615
21 HE3 LYS 2 HE1 LYS 2 14.011 -5.130 18.182
22 HZ1 LYS 2 HZ1 LYS 2 14.025 -6.706 20.012
23 HZ2 LYS 2 HZ2 LYS 2 12.552 -7.355 19.497
24 HZ3 LYS 2 HZ3 LYS 2 12.627 -5.758 20.047
25 H VAL 3 HN VAL 3 10.515 -4.486 11.367
26 HA VAL 3 HA VAL 3 7.882 -5.524 11.489
27 HB VAL 3 HB VAL 3 8.526 -3.507 10.183
28 HG11 VAL 3 HG11 VAL 3 10.581 -4.651 9.220
29 HG12 VAL 3 HG12 VAL 3 9.652 -3.616 8.138
30 HG13 VAL 3 HG13 VAL 3 9.489 -5.370 8.039
31 HG21 VAL 3 HG21 VAL 3 7.124 -5.680 8.631
32 HG22 VAL 3 HG22 VAL 3 7.033 -3.952 8.289
33 HG23 VAL 3 HG23 VAL 3 6.385 -4.584 9.802
34 H HIS 4 HN HIS 4 10.881 -6.843 10.340
35 HA HIS 4 HA HIS 4 9.392 -9.079 9.140
36 HB2 HIS 4 HB2 HIS 4 11.312 -9.617 7.814
37 HB3 HIS 4 HB1 HIS 4 11.004 -7.899 7.633
38 HD1 HIS 4 HD1 HIS 4 13.451 -10.319 9.140
39 HD2 HIS 4 HD2 HIS 4 13.065 -6.238 8.452
40 HE1 HIS 4 HE1 HIS 4 15.720 -9.338 9.587
41 HE2 HIS 4 HE2 HIS 4 15.437 -6.858 9.275
42 H ARG 5 HN ARG 5 10.133 -8.447 11.987
43 HA ARG 5 HA ARG 5 11.361 -11.050 12.623
44 HB2 ARG 5 HB2 ARG 5 12.021 -8.353 13.574
45 HB3 ARG 5 HB1 ARG 5 11.742 -9.503 14.874
46 HG2 ARG 5 HG2 ARG 5 13.398 -11.020 13.763
47 HG3 ARG 5 HG1 ARG 5 13.771 -9.690 12.664
48 HD2 ARG 5 HD2 ARG 5 14.395 -8.291 14.573
49 HD3 ARG 5 HD1 ARG 5 14.009 -9.615 15.670
50 HE ARG 5 HE ARG 5 16.167 -9.753 13.661
51 HH11 ARG 5 HH11 ARG 5 14.916 -10.427 16.872
52 HH12 ARG 5 HH12 ARG 5 16.378 -11.181 17.417
53 HH21 ARG 5 HH21 ARG 5 18.080 -10.777 14.384
54 HH22 ARG 5 HH22 ARG 5 18.163 -11.396 16.001
55 H MET 6 HN MET 6 8.636 -10.446 12.132
56 HA MET 6 HA MET 6 6.547 -10.707 12.948
57 HB2 MET 6 HB2 MET 6 8.103 -12.186 15.063
58 HB3 MET 6 HB1 MET 6 6.346 -12.098 15.079
59 HG2 MET 6 HG2 MET 6 6.525 -12.997 12.658
60 HG3 MET 6 HG1 MET 6 8.155 -13.470 13.134
61 HE1 MET 6 HE1 MET 6 4.210 -15.149 14.825
62 HE2 MET 6 HE2 MET 6 4.366 -14.179 13.359
63 HE3 MET 6 HE3 MET 6 4.619 -13.438 14.938
64 HA PRO 7 HA PRO 7 7.076 -6.973 15.618
65 HB2 PRO 7 HB2 PRO 7 5.240 -5.478 14.274
66 HB3 PRO 7 HB1 PRO 7 6.932 -5.604 13.765
67 HG2 PRO 7 HG2 PRO 7 4.531 -7.075 12.733
68 HG3 PRO 7 HG1 PRO 7 5.855 -6.314 11.828
69 HD2 PRO 7 HD2 PRO 7 5.776 -8.969 12.281
70 HD3 PRO 7 HD1 PRO 7 7.304 -8.068 12.221
71 H LYS 8 HN LYS 8 4.172 -8.513 14.356
72 HA LYS 8 HA LYS 8 2.951 -8.398 17.011
73 HB2 LYS 8 HB2 LYS 8 1.595 -7.592 14.427
74 HB3 LYS 8 HB1 LYS 8 0.737 -7.919 15.926
75 HG2 LYS 8 HG2 LYS 8 2.294 -6.100 16.919
76 HG3 LYS 8 HG1 LYS 8 2.530 -5.633 15.233
77 HD2 LYS 8 HD2 LYS 8 0.123 -5.359 14.962
78 HD3 LYS 8 HD1 LYS 8 -0.135 -5.867 16.632
79 HE2 LYS 8 HE2 LYS 8 1.381 -3.920 17.277
80 HE3 LYS 8 HE1 LYS 8 1.172 -3.359 15.618
81 HZ1 LYS 8 HZ1 LYS 8 -0.418 -2.310 17.073
82 HZ2 LYS 8 HZ2 LYS 8 -0.991 -3.810 17.600
83 HZ3 LYS 8 HZ3 LYS 8 -1.229 -3.328 15.994
84 H GLY 9 HN GLY 9 0.666 -9.761 16.598
85 HA2 GLY 9 HA2 GLY 9 1.586 -12.410 16.014
86 HA3 GLY 9 HA1 GLY 9 -0.056 -11.954 16.454
87 H VAL 10 HN VAL 10 -1.577 -11.797 14.897
88 HA VAL 10 HA VAL 10 -2.610 -12.137 12.909
89 HB VAL 10 HB VAL 10 -0.273 -10.840 11.523
90 HG11 VAL 10 HG11 VAL 10 -2.225 -11.687 10.223
91 HG12 VAL 10 HG12 VAL 10 -1.954 -9.953 10.056
92 HG13 VAL 10 HG13 VAL 10 -3.245 -10.548 11.099
93 HG21 VAL 10 HG21 VAL 10 -0.729 -9.556 13.583
94 HG22 VAL 10 HG22 VAL 10 -2.411 -9.388 13.085
95 HG23 VAL 10 HG23 VAL 10 -1.129 -8.649 12.123
96 H VAL 11 HN VAL 11 -2.246 -14.437 13.126
97 HA VAL 11 HA VAL 11 -0.092 -15.563 11.505
98 HB VAL 11 HB VAL 11 -0.903 -17.760 12.407
99 HG11 VAL 11 HG11 VAL 11 -0.126 -15.660 14.430
100 HG12 VAL 11 HG12 VAL 11 0.974 -16.610 13.429
101 HG13 VAL 11 HG13 VAL 11 -0.004 -17.404 14.662
102 HG21 VAL 11 HG21 VAL 11 -3.195 -17.219 12.888
103 HG22 VAL 11 HG22 VAL 11 -2.705 -15.974 14.036
104 HG23 VAL 11 HG23 VAL 11 -2.393 -17.670 14.391
105 H LEU 12 HN LEU 12 -3.480 -14.965 11.370
106 HA LEU 12 HA LEU 12 -3.951 -16.937 9.283
107 HB2 LEU 12 HB2 LEU 12 -5.847 -14.822 10.301
108 HB3 LEU 12 HB1 LEU 12 -6.255 -16.277 9.411
109 HG LEU 12 HG LEU 12 -5.058 -16.302 12.182
110 HD11 LEU 12 HD11 LEU 12 -7.344 -16.851 12.940
111 HD12 LEU 12 HD12 LEU 12 -7.937 -16.471 11.324
112 HD13 LEU 12 HD13 LEU 12 -7.197 -15.209 12.309
113 HD21 LEU 12 HD21 LEU 12 -4.747 -18.330 10.790
114 HD22 LEU 12 HD22 LEU 12 -6.500 -18.449 10.634
115 HD23 LEU 12 HD23 LEU 12 -5.742 -18.605 12.218
116 H VAL 13 HN VAL 13 -2.038 -15.343 8.362
117 HA VAL 13 HA VAL 13 -3.115 -13.093 6.899
118 HB VAL 13 HB VAL 13 -0.794 -12.979 5.918
119 HG11 VAL 13 HG11 VAL 13 -1.476 -11.621 7.817
120 HG12 VAL 13 HG12 VAL 13 0.210 -12.111 7.965
121 HG13 VAL 13 HG13 VAL 13 -1.031 -12.921 8.921
122 HG21 VAL 13 HG21 VAL 13 0.970 -14.276 6.985
123 HG22 VAL 13 HG22 VAL 13 -0.207 -15.343 6.218
124 HG23 VAL 13 HG23 VAL 13 -0.227 -15.123 7.968
125 H GLY 14 HN GLY 14 -3.088 -12.886 4.637
126 HA2 GLY 14 HA2 GLY 14 -3.332 -15.465 3.226
127 HA3 GLY 14 HA1 GLY 14 -4.235 -14.011 2.814
128 H LYS 15 HN LYS 15 -3.051 -15.049 0.736
129 HA LYS 15 HA LYS 15 -0.336 -14.446 0.314
130 HB2 LYS 15 HB2 LYS 15 -2.605 -14.767 -1.650
131 HB3 LYS 15 HB1 LYS 15 -0.916 -14.625 -2.117
132 HG2 LYS 15 HG2 LYS 15 -0.412 -16.641 -0.783
133 HG3 LYS 15 HG1 LYS 15 -2.135 -16.810 -0.446
134 HD2 LYS 15 HD2 LYS 15 -0.848 -16.856 -3.173
135 HD3 LYS 15 HD1 LYS 15 -1.451 -18.257 -2.287
136 HE2 LYS 15 HE2 LYS 15 -3.675 -16.872 -2.247
137 HE3 LYS 15 HE1 LYS 15 -2.952 -16.067 -3.637
138 HZ1 LYS 15 HZ1 LYS 15 -2.627 -18.353 -4.585
139 HZ2 LYS 15 HZ2 LYS 15 -4.232 -17.830 -4.474
140 HZ3 LYS 15 HZ3 LYS 15 -3.629 -18.934 -3.350
141 H ALA 16 HN ALA 16 -3.184 -12.453 0.166
142 HA ALA 16 HA ALA 16 -2.146 -10.367 -1.437
143 HB1 ALA 16 HB1 ALA 16 -4.219 -10.087 0.730
144 HB2 ALA 16 HB2 ALA 16 -4.558 -10.686 -0.893
145 HB3 ALA 16 HB3 ALA 16 -3.978 -9.038 -0.665
146 H TRP 17 HN TRP 17 -1.688 -11.229 1.867
147 HA TRP 17 HA TRP 17 -0.689 -8.647 2.674
148 HB2 TRP 17 HB2 TRP 17 -1.820 -10.244 4.248
149 HB3 TRP 17 HB1 TRP 17 -0.431 -11.314 4.085
150 HD1 TRP 17 HD1 TRP 17 1.740 -10.717 5.450
151 HE1 TRP 17 HE1 TRP 17 2.259 -8.972 7.268
152 HE3 TRP 17 HE3 TRP 17 -2.429 -7.804 4.977
153 HZ2 TRP 17 HZ2 TRP 17 1.047 -6.663 8.360
154 HZ3 TRP 17 HZ3 TRP 17 -2.678 -5.850 6.447
155 HH2 TRP 17 HH2 TRP 17 -0.969 -5.294 8.108
156 H GLU 18 HN GLU 18 0.603 -11.799 1.780
157 HA GLU 18 HA GLU 18 3.317 -11.143 2.300
158 HB2 GLU 18 HB2 GLU 18 2.135 -13.335 0.594
159 HB3 GLU 18 HB1 GLU 18 3.818 -13.234 1.096
160 HG2 GLU 18 HG2 GLU 18 3.117 -13.378 3.437
161 HG3 GLU 18 HG1 GLU 18 1.439 -13.519 2.913
162 H ILE 19 HN ILE 19 1.323 -11.096 -0.654
163 HA ILE 19 HA ILE 19 3.443 -10.573 -2.430
164 HB ILE 19 HB ILE 19 1.218 -11.243 -3.230
165 HG12 ILE 19 HG12 ILE 19 2.092 -8.560 -4.328
166 HG13 ILE 19 HG11 ILE 19 2.808 -10.111 -4.751
167 HG21 ILE 19 HG21 ILE 19 0.349 -8.449 -2.504
168 HG22 ILE 19 HG22 ILE 19 -0.154 -9.934 -1.700
169 HG23 ILE 19 HG23 ILE 19 -0.611 -9.643 -3.376
170 HD11 ILE 19 HD11 ILE 19 1.260 -9.300 -6.459
171 HD12 ILE 19 HD12 ILE 19 -0.048 -9.310 -5.275
172 HD13 ILE 19 HD13 ILE 19 0.720 -10.825 -5.756
173 H ARG 20 HN ARG 20 1.455 -8.428 -0.478
174 HA ARG 20 HA ARG 20 2.470 -6.015 -1.558
175 HB2 ARG 20 HB2 ARG 20 1.034 -6.696 0.996
176 HB3 ARG 20 HB1 ARG 20 1.574 -5.059 0.647
177 HG2 ARG 20 HG2 ARG 20 0.235 -5.104 -1.434
178 HG3 ARG 20 HG1 ARG 20 -0.371 -6.696 -0.969
179 HD2 ARG 20 HD2 ARG 20 -1.870 -4.738 -0.414
180 HD3 ARG 20 HD1 ARG 20 -1.491 -5.820 0.922
181 HE ARG 20 HE ARG 20 -0.436 -4.098 1.978
182 HH11 ARG 20 HH11 ARG 20 -0.845 -3.244 -1.399
183 HH12 ARG 20 HH12 ARG 20 -0.188 -1.650 -1.203
184 HH21 ARG 20 HH21 ARG 20 0.370 -1.979 2.244
185 HH22 ARG 20 HH22 ARG 20 0.474 -0.919 0.875
186 H ALA 21 HN ALA 21 3.397 -8.081 1.126
187 HA ALA 21 HA ALA 21 5.347 -6.349 2.226
188 HB1 ALA 21 HB1 ALA 21 4.417 -8.182 3.527
189 HB2 ALA 21 HB2 ALA 21 6.169 -8.346 3.404
190 HB3 ALA 21 HB3 ALA 21 5.119 -9.353 2.408
191 H LYS 22 HN LYS 22 5.437 -8.812 -0.275
192 HA LYS 22 HA LYS 22 8.285 -8.756 -0.556
193 HB2 LYS 22 HB2 LYS 22 6.669 -10.634 -1.265
194 HB3 LYS 22 HB1 LYS 22 6.350 -9.653 -2.688
195 HG2 LYS 22 HG2 LYS 22 8.015 -11.357 -3.157
196 HG3 LYS 22 HG1 LYS 22 8.712 -9.741 -3.291
197 HD2 LYS 22 HD2 LYS 22 9.707 -9.955 -1.094
198 HD3 LYS 22 HD1 LYS 22 8.946 -11.531 -0.876
199 HE2 LYS 22 HE2 LYS 22 10.256 -12.460 -2.663
200 HE3 LYS 22 HE1 LYS 22 10.916 -10.873 -3.057
201 HZ1 LYS 22 HZ1 LYS 22 12.542 -12.002 -1.804
202 HZ2 LYS 22 HZ2 LYS 22 11.427 -12.499 -0.636
203 HZ3 LYS 22 HZ3 LYS 22 11.862 -10.865 -0.743
204 H LEU 23 HN LEU 23 5.570 -7.218 -2.179
205 HA LEU 23 HA LEU 23 7.029 -5.986 -4.246
206 HB2 LEU 23 HB2 LEU 23 4.330 -5.778 -3.142
207 HB3 LEU 23 HB1 LEU 23 4.940 -4.244 -3.723
208 HG LEU 23 HG LEU 23 5.381 -5.275 -5.929
209 HD11 LEU 23 HD11 LEU 23 5.723 -7.559 -5.346
210 HD12 LEU 23 HD12 LEU 23 4.304 -7.472 -6.392
211 HD13 LEU 23 HD13 LEU 23 4.108 -7.682 -4.652
212 HD21 LEU 23 HD21 LEU 23 3.299 -4.084 -5.514
213 HD22 LEU 23 HD22 LEU 23 2.553 -5.573 -4.933
214 HD23 LEU 23 HD23 LEU 23 3.047 -5.434 -6.621
215 H LYS 24 HN LYS 24 6.273 -4.904 -0.951
216 HA LYS 24 HA LYS 24 7.509 -2.344 -1.399
217 HB2 LYS 24 HB2 LYS 24 6.996 -1.845 0.858
218 HB3 LYS 24 HB1 LYS 24 5.650 -2.802 0.261
219 HG2 LYS 24 HG2 LYS 24 6.852 -4.807 1.291
220 HG3 LYS 24 HG1 LYS 24 7.829 -3.613 2.150
221 HD2 LYS 24 HD2 LYS 24 5.716 -2.603 3.010
222 HD3 LYS 24 HD1 LYS 24 4.831 -3.934 2.263
223 HE2 LYS 24 HE2 LYS 24 6.404 -5.454 3.627
224 HE3 LYS 24 HE1 LYS 24 6.753 -4.003 4.563
225 HZ1 LYS 24 HZ1 LYS 24 4.043 -5.145 4.142
226 HZ2 LYS 24 HZ2 LYS 24 4.423 -3.801 5.091
227 HZ3 LYS 24 HZ3 LYS 24 4.973 -5.331 5.543
228 H GLU 25 HN GLU 25 8.610 -5.462 -0.681
229 HA GLU 25 HA GLU 25 10.971 -4.682 0.755
230 HB2 GLU 25 HB2 GLU 25 9.883 -6.893 1.068
231 HB3 GLU 25 HB1 GLU 25 10.340 -7.317 -0.574
232 HG2 GLU 25 HG2 GLU 25 12.704 -7.076 0.030
233 HG3 GLU 25 HG1 GLU 25 12.228 -6.703 1.686
234 H TYR 26 HN TYR 26 10.274 -5.808 -2.560
235 HA TYR 26 HA TYR 26 13.037 -5.180 -3.291
236 HB2 TYR 26 HB2 TYR 26 11.895 -7.336 -4.001
237 HB3 TYR 26 HB1 TYR 26 10.929 -6.354 -5.099
238 HD1 TYR 26 HD1 TYR 26 14.559 -6.412 -4.189
239 HD2 TYR 26 HD2 TYR 26 11.642 -6.618 -7.282
240 HE1 TYR 26 HE1 TYR 26 16.352 -6.534 -5.861
241 HE2 TYR 26 HE2 TYR 26 13.430 -6.742 -8.966
242 HH TYR 26 HH TYR 26 15.738 -6.232 -9.246
243 H GLY 27 HN GLY 27 9.801 -3.978 -3.703
244 HA2 GLY 27 HA2 GLY 27 10.788 -2.006 -5.666
245 HA3 GLY 27 HA1 GLY 27 9.102 -2.445 -5.434
246 H ARG 28 HN ARG 28 11.635 -1.541 -3.133
247 HA ARG 28 HA ARG 28 9.891 0.086 -1.596
248 HB2 ARG 28 HB2 ARG 28 12.057 -1.102 -0.865
249 HB3 ARG 28 HB1 ARG 28 12.894 0.281 -1.558
250 HG2 ARG 28 HG2 ARG 28 12.621 0.570 0.825
251 HG3 ARG 28 HG1 ARG 28 11.661 1.769 -0.041
252 HD2 ARG 28 HD2 ARG 28 9.650 0.575 0.365
253 HD3 ARG 28 HD1 ARG 28 10.530 -0.829 0.958
254 HE ARG 28 HE ARG 28 10.242 1.735 2.374
255 HH11 ARG 28 HH11 ARG 28 11.000 -1.687 2.375
256 HH12 ARG 28 HH12 ARG 28 11.032 -1.802 4.105
257 HH21 ARG 28 HH21 ARG 28 10.281 1.573 4.651
258 HH22 ARG 28 HH22 ARG 28 10.608 0.040 5.398
259 H THR 29 HN THR 29 12.736 0.970 -3.548
260 HA THR 29 HA THR 29 11.384 3.224 -4.704
261 HB THR 29 HB THR 29 13.812 3.861 -3.026
262 HG1 THR 29 HG1 THR 29 11.178 3.600 -2.255
263 HG21 THR 29 HG21 THR 29 13.131 6.167 -3.384
264 HG22 THR 29 HG22 THR 29 11.716 5.628 -4.286
265 HG23 THR 29 HG23 THR 29 13.333 5.346 -4.931
266 H PHE 30 HN PHE 30 14.766 2.413 -3.912
267 HA PHE 30 HA PHE 30 15.268 1.949 -6.757
268 HB2 PHE 30 HB2 PHE 30 17.417 3.206 -6.580
269 HB3 PHE 30 HB1 PHE 30 15.999 4.230 -6.397
270 HD1 PHE 30 HD1 PHE 30 15.412 5.152 -4.199
271 HD2 PHE 30 HD2 PHE 30 18.972 2.903 -4.799
272 HE1 PHE 30 HE1 PHE 30 16.315 6.029 -2.088
273 HE2 PHE 30 HE2 PHE 30 19.879 3.768 -2.683
274 HZ PHE 30 HZ PHE 30 18.552 5.335 -1.325
275 H GLN 31 HN GLN 31 16.795 0.344 -7.162
276 HA GLN 31 HA GLN 31 17.925 -0.966 -4.777
277 HB2 GLN 31 HB2 GLN 31 16.648 -2.218 -7.208
278 HB3 GLN 31 HB1 GLN 31 17.657 -3.128 -6.096
279 HG2 GLN 31 HG2 GLN 31 15.143 -1.670 -5.317
280 HG3 GLN 31 HG1 GLN 31 15.231 -3.390 -5.695
281 HE21 GLN 31 HE21 GLN 31 16.457 -4.745 -4.309
282 HE22 GLN 31 HE22 GLN 31 16.741 -4.302 -2.665
283 H TYR 32 HN TYR 32 18.240 -0.533 -8.280
284 HA TYR 32 HA TYR 32 20.800 -1.697 -8.484
285 HB2 TYR 32 HB2 TYR 32 19.099 -0.015 -10.251
286 HB3 TYR 32 HB1 TYR 32 20.814 -0.137 -10.638
287 HD1 TYR 32 HD1 TYR 32 17.718 -2.101 -10.146
288 HD2 TYR 32 HD2 TYR 32 21.715 -2.093 -11.599
289 HE1 TYR 32 HE1 TYR 32 17.330 -4.283 -11.203
290 HE2 TYR 32 HE2 TYR 32 21.336 -4.275 -12.663
291 HH TYR 32 HH TYR 32 19.775 -6.255 -12.258
292 H VAL 33 HN VAL 33 19.742 1.601 -7.879
293 HA VAL 33 HA VAL 33 22.253 2.847 -8.210
294 HB VAL 33 HB VAL 33 20.026 3.740 -6.359
295 HG11 VAL 33 HG11 VAL 33 22.140 4.898 -5.985
296 HG12 VAL 33 HG12 VAL 33 20.954 5.982 -6.713
297 HG13 VAL 33 HG13 VAL 33 22.241 5.291 -7.703
298 HG21 VAL 33 HG21 VAL 33 18.990 3.520 -8.461
299 HG22 VAL 33 HG22 VAL 33 20.412 4.109 -9.318
300 HG23 VAL 33 HG23 VAL 33 19.441 5.223 -8.358
301 H LYS 34 HN LYS 34 20.801 1.107 -5.549
302 HA LYS 34 HA LYS 34 22.900 1.889 -3.702
303 HB2 LYS 34 HB2 LYS 34 20.249 0.996 -3.420
304 HB3 LYS 34 HB1 LYS 34 21.254 -0.285 -2.759
305 HG2 LYS 34 HG2 LYS 34 22.217 2.228 -1.810
306 HG3 LYS 34 HG1 LYS 34 20.477 2.142 -1.548
307 HD2 LYS 34 HD2 LYS 34 20.988 0.997 0.311
308 HD3 LYS 34 HD1 LYS 34 21.331 -0.353 -0.771
309 HE2 LYS 34 HE2 LYS 34 23.528 1.575 -0.440
310 HE3 LYS 34 HE1 LYS 34 23.095 0.680 1.013
311 HZ1 LYS 34 HZ1 LYS 34 24.776 -0.516 -0.155
312 HZ2 LYS 34 HZ2 LYS 34 23.909 -0.460 -1.607
313 HZ3 LYS 34 HZ3 LYS 34 23.329 -1.381 -0.308
314 H ASP 35 HN ASP 35 22.450 -0.452 -6.065
315 HA ASP 35 HA ASP 35 24.172 -2.425 -4.762
316 HB2 ASP 35 HB2 ASP 35 22.191 -3.202 -6.035
317 HB3 ASP 35 HB1 ASP 35 22.857 -2.473 -7.491
318 H TRP 36 HN TRP 36 24.177 -0.097 -7.371
319 HA TRP 36 HA TRP 36 26.782 -0.879 -8.327
320 HB2 TRP 36 HB2 TRP 36 24.867 1.330 -9.035
321 HB3 TRP 36 HB1 TRP 36 26.491 1.269 -9.709
322 HD1 TRP 36 HD1 TRP 36 24.394 -1.914 -9.237
323 HE1 TRP 36 HE1 TRP 36 23.865 -2.890 -11.555
324 HE3 TRP 36 HE3 TRP 36 26.209 1.868 -12.156
325 HZ2 TRP 36 HZ2 TRP 36 24.172 -2.163 -14.256
326 HZ3 TRP 36 HZ3 TRP 36 26.054 1.652 -14.596
327 HH2 TRP 36 HH2 TRP 36 25.055 -0.327 -15.625
328 H ILE 37 HN ILE 37 25.411 1.795 -6.451
329 HA ILE 37 HA ILE 37 28.101 2.885 -6.059
330 HB ILE 37 HB ILE 37 25.470 4.078 -5.188
331 HG12 ILE 37 HG12 ILE 37 25.522 3.867 -7.621
332 HG13 ILE 37 HG11 ILE 37 25.674 5.554 -7.149
333 HG21 ILE 37 HG21 ILE 37 28.222 5.284 -5.434
334 HG22 ILE 37 HG22 ILE 37 27.375 4.907 -3.934
335 HG23 ILE 37 HG23 ILE 37 26.755 6.164 -5.005
336 HD11 ILE 37 HD11 ILE 37 27.174 5.137 -8.937
337 HD12 ILE 37 HD12 ILE 37 27.848 3.726 -8.121
338 HD13 ILE 37 HD13 ILE 37 28.131 5.341 -7.469
339 H SER 38 HN SER 38 29.179 2.636 -4.220
340 HA SER 38 HA SER 38 29.747 2.040 -2.118
341 HB2 SER 38 HB2 SER 38 27.817 3.747 -1.665
342 HB3 SER 38 HB1 SER 38 26.904 2.317 -1.187
343 HG SER 38 HG SER 38 28.940 1.902 0.140
344 H LYS 39 HN LYS 39 29.872 -0.044 -3.389
345 HA LYS 39 HA LYS 39 28.134 -2.067 -2.145
346 HB2 LYS 39 HB2 LYS 39 28.905 -3.467 -4.195
347 HB3 LYS 39 HB1 LYS 39 27.640 -2.266 -4.408
348 HG2 LYS 39 HG2 LYS 39 28.993 -0.854 -5.620
349 HG3 LYS 39 HG1 LYS 39 30.479 -1.496 -4.914
350 HD2 LYS 39 HD2 LYS 39 30.563 -3.258 -6.351
351 HD3 LYS 39 HD1 LYS 39 28.810 -3.345 -6.519
352 HE2 LYS 39 HE2 LYS 39 29.894 -2.624 -8.596
353 HE3 LYS 39 HE1 LYS 39 28.820 -1.385 -7.949
354 HZ1 LYS 39 HZ1 LYS 39 30.633 -0.114 -7.229
355 HZ2 LYS 39 HZ2 LYS 39 31.068 -0.635 -8.779
356 HZ3 LYS 39 HZ3 LYS 39 31.729 -1.387 -7.419
357 HA PRO 40 HA PRO 40 32.096 -3.016 -0.157
358 HB2 PRO 40 HB2 PRO 40 30.390 -5.136 1.030
359 HB3 PRO 40 HB1 PRO 40 31.437 -3.955 1.826
360 HG2 PRO 40 HG2 PRO 40 28.789 -3.686 1.898
361 HG3 PRO 40 HG1 PRO 40 29.842 -2.271 1.713
362 HD2 PRO 40 HD2 PRO 40 28.235 -3.720 -0.357
363 HD3 PRO 40 HD1 PRO 40 28.493 -1.975 -0.147
Start of MODEL 15
1 H1 MET 1 HT1 MET 1 16.283 -9.149 16.783
2 H2 MET 1 HT2 MET 1 15.775 -9.978 15.404
3 H3 MET 1 HT3 MET 1 14.721 -9.790 16.710
4 HA MET 1 HA MET 1 14.122 -8.285 14.956
5 HB2 MET 1 HB2 MET 1 13.784 -7.575 17.282
6 HB3 MET 1 HB1 MET 1 15.404 -6.897 17.319
7 HG2 MET 1 HG2 MET 1 13.846 -5.124 17.032
8 HG3 MET 1 HG1 MET 1 14.741 -5.329 15.528
9 HE1 MET 1 HE1 MET 1 12.017 -3.644 15.696
10 HE2 MET 1 HE2 MET 1 11.261 -4.195 14.198
11 HE3 MET 1 HE3 MET 1 12.998 -3.877 14.249
12 H LYS 2 HN LYS 2 17.467 -7.773 16.081
13 HA LYS 2 HA LYS 2 18.012 -5.837 14.025
14 HB2 LYS 2 HB2 LYS 2 19.856 -7.293 15.925
15 HB3 LYS 2 HB1 LYS 2 20.352 -5.996 14.850
16 HG2 LYS 2 HG2 LYS 2 18.944 -4.425 16.010
17 HG3 LYS 2 HG1 LYS 2 18.277 -5.711 17.016
18 HD2 LYS 2 HD2 LYS 2 20.543 -6.117 17.923
19 HD3 LYS 2 HD1 LYS 2 21.137 -4.753 16.975
20 HE2 LYS 2 HE2 LYS 2 19.685 -3.238 18.181
21 HE3 LYS 2 HE1 LYS 2 18.967 -4.583 19.066
22 HZ1 LYS 2 HZ1 LYS 2 21.756 -3.600 19.251
23 HZ2 LYS 2 HZ2 LYS 2 21.224 -5.033 19.963
24 HZ3 LYS 2 HZ3 LYS 2 20.573 -3.554 20.456
25 H VAL 3 HN VAL 3 17.158 -7.555 12.413
26 HA VAL 3 HA VAL 3 19.494 -8.699 11.107
27 HB VAL 3 HB VAL 3 17.854 -10.740 10.564
28 HG11 VAL 3 HG11 VAL 3 20.148 -10.858 11.427
29 HG12 VAL 3 HG12 VAL 3 19.092 -12.049 12.184
30 HG13 VAL 3 HG13 VAL 3 19.541 -10.584 13.058
31 HG21 VAL 3 HG21 VAL 3 16.766 -11.474 12.695
32 HG22 VAL 3 HG22 VAL 3 16.007 -10.075 11.936
33 HG23 VAL 3 HG23 VAL 3 17.055 -9.856 13.336
34 H HIS 4 HN HIS 4 15.949 -8.645 10.851
35 HA HIS 4 HA HIS 4 16.110 -7.169 8.353
36 HB2 HIS 4 HB2 HIS 4 15.369 -10.022 8.540
37 HB3 HIS 4 HB1 HIS 4 14.228 -9.026 7.646
38 HD1 HIS 4 HD1 HIS 4 17.579 -10.590 7.420
39 HD2 HIS 4 HD2 HIS 4 15.287 -7.872 5.270
40 HE1 HIS 4 HE1 HIS 4 18.684 -10.405 5.175
41 HE2 HIS 4 HE2 HIS 4 17.188 -8.879 3.840
42 H ARG 5 HN ARG 5 13.655 -6.855 7.591
43 HA ARG 5 HA ARG 5 12.377 -5.625 9.856
44 HB2 ARG 5 HB2 ARG 5 12.455 -4.748 7.431
45 HB3 ARG 5 HB1 ARG 5 11.165 -5.900 7.114
46 HG2 ARG 5 HG2 ARG 5 10.208 -3.743 7.527
47 HG3 ARG 5 HG1 ARG 5 9.809 -4.810 8.872
48 HD2 ARG 5 HD2 ARG 5 11.686 -3.830 10.151
49 HD3 ARG 5 HD1 ARG 5 11.970 -2.713 8.823
50 HE ARG 5 HE ARG 5 9.511 -2.769 10.455
51 HH11 ARG 5 HH11 ARG 5 11.847 -1.034 8.491
52 HH12 ARG 5 HH12 ARG 5 11.151 0.520 8.826
53 HH21 ARG 5 HH21 ARG 5 8.623 -0.721 10.904
54 HH22 ARG 5 HH22 ARG 5 9.331 0.699 10.198
55 H MET 6 HN MET 6 12.203 -8.624 8.247
56 HA MET 6 HA MET 6 10.097 -9.496 10.044
57 HB2 MET 6 HB2 MET 6 9.012 -8.684 7.887
58 HB3 MET 6 HB1 MET 6 9.829 -10.014 7.079
59 HG2 MET 6 HG2 MET 6 8.603 -11.629 8.312
60 HG3 MET 6 HG1 MET 6 7.955 -10.401 9.399
61 HE1 MET 6 HE1 MET 6 4.795 -11.610 7.420
62 HE2 MET 6 HE2 MET 6 5.540 -11.415 9.008
63 HE3 MET 6 HE3 MET 6 6.176 -12.604 7.874
64 HA PRO 7 HA PRO 7 13.387 -12.651 9.416
65 HB2 PRO 7 HB2 PRO 7 13.918 -13.109 12.010
66 HB3 PRO 7 HB1 PRO 7 14.602 -11.727 11.148
67 HG2 PRO 7 HG2 PRO 7 12.292 -11.825 13.042
68 HG3 PRO 7 HG1 PRO 7 13.566 -10.602 12.886
69 HD2 PRO 7 HD2 PRO 7 11.028 -10.356 11.835
70 HD3 PRO 7 HD1 PRO 7 12.455 -9.491 11.233
71 H LYS 8 HN LYS 8 10.443 -12.564 11.225
72 HA LYS 8 HA LYS 8 10.137 -15.461 10.888
73 HB2 LYS 8 HB2 LYS 8 9.407 -13.889 13.369
74 HB3 LYS 8 HB1 LYS 8 8.981 -15.568 13.083
75 HG2 LYS 8 HG2 LYS 8 11.263 -16.245 13.189
76 HG3 LYS 8 HG1 LYS 8 11.818 -14.569 13.216
77 HD2 LYS 8 HD2 LYS 8 10.712 -14.236 15.369
78 HD3 LYS 8 HD1 LYS 8 10.139 -15.903 15.336
79 HE2 LYS 8 HE2 LYS 8 12.404 -16.728 15.425
80 HE3 LYS 8 HE1 LYS 8 13.039 -15.087 15.318
81 HZ1 LYS 8 HZ1 LYS 8 13.010 -16.009 17.595
82 HZ2 LYS 8 HZ2 LYS 8 11.325 -16.056 17.533
83 HZ3 LYS 8 HZ3 LYS 8 12.131 -14.575 17.445
84 H GLY 9 HN GLY 9 7.978 -16.150 10.572
85 HA2 GLY 9 HA2 GLY 9 5.717 -14.503 10.762
86 HA3 GLY 9 HA1 GLY 9 6.352 -14.362 9.130
87 H VAL 10 HN VAL 10 5.322 -16.749 11.544
88 HA VAL 10 HA VAL 10 4.816 -18.677 9.415
89 HB VAL 10 HB VAL 10 4.209 -20.250 11.231
90 HG11 VAL 10 HG11 VAL 10 6.527 -20.028 10.366
91 HG12 VAL 10 HG12 VAL 10 6.444 -20.601 12.031
92 HG13 VAL 10 HG13 VAL 10 6.873 -18.924 11.697
93 HG21 VAL 10 HG21 VAL 10 3.408 -18.551 12.846
94 HG22 VAL 10 HG22 VAL 10 5.081 -18.047 13.099
95 HG23 VAL 10 HG23 VAL 10 4.573 -19.675 13.548
96 H VAL 11 HN VAL 11 3.144 -16.307 11.174
97 HA VAL 11 HA VAL 11 0.539 -17.567 10.832
98 HB VAL 11 HB VAL 11 1.074 -14.786 11.882
99 HG11 VAL 11 HG11 VAL 11 -1.080 -15.051 12.983
100 HG12 VAL 11 HG12 VAL 11 -1.227 -16.686 12.338
101 HG13 VAL 11 HG13 VAL 11 -1.243 -15.303 11.244
102 HG21 VAL 11 HG21 VAL 11 2.381 -16.359 13.199
103 HG22 VAL 11 HG22 VAL 11 0.953 -17.363 13.439
104 HG23 VAL 11 HG23 VAL 11 1.019 -15.745 14.135
105 H LEU 12 HN LEU 12 0.997 -17.557 8.456
106 HA LEU 12 HA LEU 12 0.566 -14.957 7.193
107 HB2 LEU 12 HB2 LEU 12 1.009 -16.207 5.060
108 HB3 LEU 12 HB1 LEU 12 2.355 -16.132 6.179
109 HG LEU 12 HG LEU 12 0.840 -18.533 6.641
110 HD11 LEU 12 HD11 LEU 12 1.272 -19.657 4.514
111 HD12 LEU 12 HD12 LEU 12 1.835 -18.134 3.825
112 HD13 LEU 12 HD13 LEU 12 0.151 -18.311 4.316
113 HD21 LEU 12 HD21 LEU 12 3.144 -18.200 7.329
114 HD22 LEU 12 HD22 LEU 12 3.639 -18.028 5.645
115 HD23 LEU 12 HD23 LEU 12 3.025 -19.576 6.230
116 H VAL 13 HN VAL 13 -1.561 -14.534 7.488
117 HA VAL 13 HA VAL 13 -3.490 -16.529 6.531
118 HB VAL 13 HB VAL 13 -4.262 -14.016 7.986
119 HG11 VAL 13 HG11 VAL 13 -6.185 -15.377 8.671
120 HG12 VAL 13 HG12 VAL 13 -5.533 -16.745 7.768
121 HG13 VAL 13 HG13 VAL 13 -6.041 -15.285 6.917
122 HG21 VAL 13 HG21 VAL 13 -4.174 -15.228 10.099
123 HG22 VAL 13 HG22 VAL 13 -2.571 -15.110 9.368
124 HG23 VAL 13 HG23 VAL 13 -3.475 -16.623 9.278
125 H GLY 14 HN GLY 14 -3.006 -16.054 4.326
126 HA2 GLY 14 HA2 GLY 14 -4.350 -15.081 2.535
127 HA3 GLY 14 HA1 GLY 14 -4.270 -13.551 3.401
128 H LYS 15 HN LYS 15 -3.108 -15.153 0.809
129 HA LYS 15 HA LYS 15 -0.353 -14.453 0.874
130 HB2 LYS 15 HB2 LYS 15 -2.242 -15.397 -1.243
131 HB3 LYS 15 HB1 LYS 15 -0.665 -14.775 -1.709
132 HG2 LYS 15 HG2 LYS 15 -1.029 -16.972 0.306
133 HG3 LYS 15 HG1 LYS 15 -0.817 -17.260 -1.420
134 HD2 LYS 15 HD2 LYS 15 1.306 -15.933 -1.285
135 HD3 LYS 15 HD1 LYS 15 1.110 -15.930 0.468
136 HE2 LYS 15 HE2 LYS 15 2.603 -17.706 -0.130
137 HE3 LYS 15 HE1 LYS 15 1.084 -18.407 0.420
138 HZ1 LYS 15 HZ1 LYS 15 0.459 -18.889 -1.803
139 HZ2 LYS 15 HZ2 LYS 15 2.043 -19.446 -1.606
140 HZ3 LYS 15 HZ3 LYS 15 1.754 -18.003 -2.439
141 H ALA 16 HN ALA 16 -3.128 -12.615 0.468
142 HA ALA 16 HA ALA 16 -2.267 -10.663 -1.376
143 HB1 ALA 16 HB1 ALA 16 -4.194 -10.362 0.930
144 HB2 ALA 16 HB2 ALA 16 -4.611 -10.898 -0.697
145 HB3 ALA 16 HB3 ALA 16 -4.029 -9.254 -0.433
146 H TRP 17 HN TRP 17 -1.585 -11.262 1.964
147 HA TRP 17 HA TRP 17 -0.499 -8.656 2.517
148 HB2 TRP 17 HB2 TRP 17 -0.432 -11.292 3.995
149 HB3 TRP 17 HB1 TRP 17 0.392 -9.855 4.588
150 HD1 TRP 17 HD1 TRP 17 -3.214 -10.231 3.178
151 HE1 TRP 17 HE1 TRP 17 -4.839 -9.260 4.919
152 HE3 TRP 17 HE3 TRP 17 0.148 -9.028 6.828
153 HZ2 TRP 17 HZ2 TRP 17 -4.709 -8.136 7.507
154 HZ3 TRP 17 HZ3 TRP 17 -0.681 -8.012 8.906
155 HH2 TRP 17 HH2 TRP 17 -3.057 -7.577 9.238
156 H GLU 18 HN GLU 18 0.683 -11.799 1.529
157 HA GLU 18 HA GLU 18 3.446 -11.293 1.894
158 HB2 GLU 18 HB2 GLU 18 2.389 -13.565 1.621
159 HB3 GLU 18 HB1 GLU 18 2.208 -13.207 -0.092
160 HG2 GLU 18 HG2 GLU 18 4.759 -12.743 -0.001
161 HG3 GLU 18 HG1 GLU 18 4.695 -13.683 1.487
162 H ILE 19 HN ILE 19 1.307 -11.022 -0.939
163 HA ILE 19 HA ILE 19 3.329 -10.291 -2.744
164 HB ILE 19 HB ILE 19 1.068 -11.051 -3.430
165 HG12 ILE 19 HG12 ILE 19 0.807 -9.330 -5.293
166 HG13 ILE 19 HG11 ILE 19 2.149 -8.468 -4.548
167 HG21 ILE 19 HG21 ILE 19 0.213 -8.255 -2.693
168 HG22 ILE 19 HG22 ILE 19 -0.287 -9.747 -1.895
169 HG23 ILE 19 HG23 ILE 19 -0.766 -9.438 -3.565
170 HD11 ILE 19 HD11 ILE 19 3.596 -10.376 -4.902
171 HD12 ILE 19 HD12 ILE 19 2.852 -9.878 -6.418
172 HD13 ILE 19 HD13 ILE 19 2.251 -11.300 -5.568
173 H ARG 20 HN ARG 20 1.402 -8.367 -0.516
174 HA ARG 20 HA ARG 20 2.259 -5.854 -1.555
175 HB2 ARG 20 HB2 ARG 20 0.179 -6.217 -0.194
176 HB3 ARG 20 HB1 ARG 20 1.206 -6.447 1.214
177 HG2 ARG 20 HG2 ARG 20 2.092 -4.171 0.904
178 HG3 ARG 20 HG1 ARG 20 0.979 -3.949 -0.447
179 HD2 ARG 20 HD2 ARG 20 -0.915 -4.289 1.034
180 HD3 ARG 20 HD1 ARG 20 0.175 -4.577 2.388
181 HE ARG 20 HE ARG 20 0.232 -1.994 0.979
182 HH11 ARG 20 HH11 ARG 20 -0.369 -3.846 3.896
183 HH12 ARG 20 HH12 ARG 20 -0.455 -2.447 4.918
184 HH21 ARG 20 HH21 ARG 20 0.081 -0.155 2.308
185 HH22 ARG 20 HH22 ARG 20 -0.214 -0.335 4.010
186 H ALA 21 HN ALA 21 3.306 -7.936 1.108
187 HA ALA 21 HA ALA 21 5.280 -6.169 2.115
188 HB1 ALA 21 HB1 ALA 21 5.070 -9.170 2.373
189 HB2 ALA 21 HB2 ALA 21 4.382 -7.976 3.472
190 HB3 ALA 21 HB3 ALA 21 6.131 -8.133 3.324
191 H LYS 22 HN LYS 22 5.352 -8.790 -0.238
192 HA LYS 22 HA LYS 22 8.148 -8.823 -0.634
193 HB2 LYS 22 HB2 LYS 22 6.371 -10.543 -1.351
194 HB3 LYS 22 HB1 LYS 22 6.113 -9.508 -2.747
195 HG2 LYS 22 HG2 LYS 22 8.362 -9.835 -3.494
196 HG3 LYS 22 HG1 LYS 22 8.780 -10.695 -2.010
197 HD2 LYS 22 HD2 LYS 22 6.802 -11.609 -4.108
198 HD3 LYS 22 HD1 LYS 22 8.419 -12.261 -3.847
199 HE2 LYS 22 HE2 LYS 22 7.690 -12.851 -1.509
200 HE3 LYS 22 HE1 LYS 22 6.051 -12.422 -1.992
201 HZ1 LYS 22 HZ1 LYS 22 6.023 -14.636 -2.418
202 HZ2 LYS 22 HZ2 LYS 22 7.674 -14.725 -2.773
203 HZ3 LYS 22 HZ3 LYS 22 6.601 -14.105 -3.918
204 H LEU 23 HN LEU 23 5.533 -6.994 -2.107
205 HA LEU 23 HA LEU 23 7.138 -5.831 -4.154
206 HB2 LEU 23 HB2 LEU 23 4.365 -5.607 -3.231
207 HB3 LEU 23 HB1 LEU 23 5.022 -4.111 -3.862
208 HG LEU 23 HG LEU 23 5.506 -5.157 -5.986
209 HD11 LEU 23 HD11 LEU 23 4.503 -7.692 -4.701
210 HD12 LEU 23 HD12 LEU 23 6.143 -7.364 -5.264
211 HD13 LEU 23 HD13 LEU 23 4.822 -7.490 -6.424
212 HD21 LEU 23 HD21 LEU 23 3.271 -4.265 -5.674
213 HD22 LEU 23 HD22 LEU 23 2.727 -5.810 -5.022
214 HD23 LEU 23 HD23 LEU 23 3.228 -5.692 -6.709
215 H LYS 24 HN LYS 24 6.542 -4.978 -0.820
216 HA LYS 24 HA LYS 24 7.603 -2.306 -1.236
217 HB2 LYS 24 HB2 LYS 24 7.166 -1.895 1.091
218 HB3 LYS 24 HB1 LYS 24 5.773 -2.720 0.410
219 HG2 LYS 24 HG2 LYS 24 5.964 -3.874 2.352
220 HG3 LYS 24 HG1 LYS 24 7.038 -4.852 1.354
221 HD2 LYS 24 HD2 LYS 24 8.934 -3.413 2.195
222 HD3 LYS 24 HD1 LYS 24 7.795 -2.733 3.356
223 HE2 LYS 24 HE2 LYS 24 8.329 -5.684 3.109
224 HE3 LYS 24 HE1 LYS 24 9.239 -4.631 4.191
225 HZ1 LYS 24 HZ1 LYS 24 7.394 -5.762 5.306
226 HZ2 LYS 24 HZ2 LYS 24 6.293 -5.005 4.269
227 HZ3 LYS 24 HZ3 LYS 24 7.213 -4.083 5.341
228 H GLU 25 HN GLU 25 8.783 -5.406 -0.469
229 HA GLU 25 HA GLU 25 11.207 -4.413 0.786
230 HB2 GLU 25 HB2 GLU 25 9.917 -6.597 1.359
231 HB3 GLU 25 HB1 GLU 25 10.738 -7.264 -0.044
232 HG2 GLU 25 HG2 GLU 25 11.912 -7.795 2.021
233 HG3 GLU 25 HG1 GLU 25 12.897 -6.784 0.966
234 H TYR 26 HN TYR 26 10.193 -5.906 -2.257
235 HA TYR 26 HA TYR 26 12.920 -5.643 -3.282
236 HB2 TYR 26 HB2 TYR 26 11.661 -7.784 -3.575
237 HB3 TYR 26 HB1 TYR 26 10.531 -6.928 -4.616
238 HD1 TYR 26 HD2 TYR 26 14.262 -7.012 -4.358
239 HD2 TYR 26 HD1 TYR 26 10.837 -7.509 -6.834
240 HE1 TYR 26 HE2 TYR 26 15.728 -7.451 -6.283
241 HE2 TYR 26 HE1 TYR 26 12.294 -7.958 -8.763
242 HH TYR 26 HH TYR 26 14.431 -7.798 -9.537
243 H GLY 27 HN GLY 27 9.818 -4.129 -3.514
244 HA2 GLY 27 HA2 GLY 27 10.501 -2.803 -6.027
245 HA3 GLY 27 HA1 GLY 27 8.975 -2.677 -5.168
246 H ARG 28 HN ARG 28 11.785 -2.337 -3.292
247 HA ARG 28 HA ARG 28 11.289 0.542 -3.050
248 HB2 ARG 28 HB2 ARG 28 11.296 -1.123 -1.045
249 HB3 ARG 28 HB1 ARG 28 13.044 -1.078 -1.221
250 HG2 ARG 28 HG2 ARG 28 13.084 1.286 -0.793
251 HG3 ARG 28 HG1 ARG 28 11.319 1.353 -0.795
252 HD2 ARG 28 HD2 ARG 28 12.058 1.359 1.485
253 HD3 ARG 28 HD1 ARG 28 11.323 -0.207 1.148
254 HE ARG 28 HE ARG 28 14.214 0.308 1.384
255 HH11 ARG 28 HH11 ARG 28 11.506 -1.935 1.408
256 HH12 ARG 28 HH12 ARG 28 12.453 -3.261 2.030
257 HH21 ARG 28 HH21 ARG 28 15.438 -1.437 2.156
258 HH22 ARG 28 HH22 ARG 28 14.680 -2.972 2.437
259 H THR 29 HN THR 29 12.782 1.952 -3.772
260 HA THR 29 HA THR 29 14.874 1.110 -5.410
261 HB THR 29 HB THR 29 13.952 3.291 -5.750
262 HG1 THR 29 HG1 THR 29 16.249 4.408 -5.009
263 HG21 THR 29 HG21 THR 29 14.968 3.999 -2.996
264 HG22 THR 29 HG22 THR 29 13.281 3.831 -3.474
265 HG23 THR 29 HG23 THR 29 14.259 5.137 -4.144
266 H PHE 30 HN PHE 30 16.903 0.494 -5.013
267 HA PHE 30 HA PHE 30 18.081 1.077 -2.387
268 HB2 PHE 30 HB2 PHE 30 19.174 -1.184 -2.521
269 HB3 PHE 30 HB1 PHE 30 17.432 -1.225 -2.277
270 HD1 PHE 30 HD2 PHE 30 20.143 -1.825 -4.698
271 HD2 PHE 30 HD1 PHE 30 15.972 -2.173 -3.920
272 HE1 PHE 30 HE2 PHE 30 19.905 -3.313 -6.639
273 HE2 PHE 30 HE1 PHE 30 15.737 -3.666 -5.861
274 HZ PHE 30 HZ PHE 30 17.704 -4.235 -7.221
275 H GLN 31 HN GLN 31 20.292 1.477 -2.378
276 HA GLN 31 HA GLN 31 21.605 1.532 -5.002
277 HB2 GLN 31 HB2 GLN 31 20.752 3.802 -4.418
278 HB3 GLN 31 HB1 GLN 31 21.760 3.772 -2.978
279 HG2 GLN 31 HG2 GLN 31 23.115 3.267 -5.554
280 HG3 GLN 31 HG1 GLN 31 22.514 4.900 -5.274
281 HE21 GLN 31 HE21 GLN 31 25.259 3.701 -5.403
282 HE22 GLN 31 HE22 GLN 31 26.036 4.232 -3.951
283 H TYR 32 HN TYR 32 22.014 1.646 -1.482
284 HA TYR 32 HA TYR 32 24.794 1.401 -1.407
285 HB2 TYR 32 HB2 TYR 32 23.368 1.966 0.541
286 HB3 TYR 32 HB1 TYR 32 22.816 0.296 0.596
287 HD1 TYR 32 HD1 TYR 32 26.109 2.057 0.382
288 HD2 TYR 32 HD2 TYR 32 23.776 -0.964 2.261
289 HE1 TYR 32 HE1 TYR 32 28.016 1.486 1.823
290 HE2 TYR 32 HE2 TYR 32 25.678 -1.542 3.704
291 HH TYR 32 HH TYR 32 28.209 0.351 4.253
292 H VAL 33 HN VAL 33 22.344 -1.194 -1.157
293 HA VAL 33 HA VAL 33 24.312 -3.257 -1.193
294 HB VAL 33 HB VAL 33 22.453 -4.828 -1.484
295 HG11 VAL 33 HG11 VAL 33 21.264 -4.305 0.598
296 HG12 VAL 33 HG12 VAL 33 21.944 -2.678 0.566
297 HG13 VAL 33 HG13 VAL 33 23.004 -4.076 0.746
298 HG21 VAL 33 HG21 VAL 33 21.000 -3.684 -2.960
299 HG22 VAL 33 HG22 VAL 33 20.826 -2.327 -1.851
300 HG23 VAL 33 HG23 VAL 33 20.120 -3.890 -1.446
301 H LYS 34 HN LYS 34 23.144 -1.279 -3.637
302 HA LYS 34 HA LYS 34 23.321 -3.251 -5.752
303 HB2 LYS 34 HB2 LYS 34 21.757 -1.252 -5.793
304 HB3 LYS 34 HB1 LYS 34 23.179 -0.249 -6.061
305 HG2 LYS 34 HG2 LYS 34 23.658 -1.491 -8.118
306 HG3 LYS 34 HG1 LYS 34 22.220 -2.480 -7.846
307 HD2 LYS 34 HD2 LYS 34 20.856 -0.401 -7.899
308 HD3 LYS 34 HD1 LYS 34 22.311 0.495 -8.345
309 HE2 LYS 34 HE2 LYS 34 21.124 -1.798 -9.902
310 HE3 LYS 34 HE1 LYS 34 20.916 -0.093 -10.295
311 HZ1 LYS 34 HZ1 LYS 34 23.359 0.049 -10.539
312 HZ2 LYS 34 HZ2 LYS 34 22.641 -0.996 -11.651
313 HZ3 LYS 34 HZ3 LYS 34 23.463 -1.626 -10.315
314 H ASP 35 HN ASP 35 25.154 -0.490 -4.545
315 HA ASP 35 HA ASP 35 27.302 -0.840 -6.420
316 HB2 ASP 35 HB2 ASP 35 26.775 1.369 -5.468
317 HB3 ASP 35 HB1 ASP 35 27.193 0.776 -3.863
318 H TRP 36 HN TRP 36 26.663 -1.701 -3.082
319 HA TRP 36 HA TRP 36 29.282 -2.860 -2.706
320 HB2 TRP 36 HB2 TRP 36 27.909 -1.724 -0.890
321 HB3 TRP 36 HB1 TRP 36 26.873 -3.145 -0.907
322 HD1 TRP 36 HD1 TRP 36 27.963 -5.459 0.015
323 HE1 TRP 36 HE1 TRP 36 29.899 -5.865 1.665
324 HE3 TRP 36 HE3 TRP 36 30.124 -0.824 -0.118
325 HZ2 TRP 36 HZ2 TRP 36 32.057 -4.407 2.761
326 HZ3 TRP 36 HZ3 TRP 36 32.120 -0.417 1.261
327 HH2 TRP 36 HH2 TRP 36 33.063 -2.173 2.670
328 H ILE 37 HN ILE 37 29.411 -4.497 -4.245
329 HA ILE 37 HA ILE 37 27.363 -6.500 -4.438
330 HB ILE 37 HB ILE 37 29.025 -7.709 -5.891
331 HG12 ILE 37 HG12 ILE 37 30.624 -5.156 -5.787
332 HG13 ILE 37 HG11 ILE 37 31.007 -6.524 -4.750
333 HG21 ILE 37 HG21 ILE 37 28.955 -5.840 -7.672
334 HG22 ILE 37 HG22 ILE 37 28.056 -4.937 -6.453
335 HG23 ILE 37 HG23 ILE 37 27.435 -6.478 -7.044
336 HD11 ILE 37 HD11 ILE 37 30.935 -6.583 -7.754
337 HD12 ILE 37 HD12 ILE 37 31.369 -7.923 -6.693
338 HD13 ILE 37 HD13 ILE 37 32.386 -6.484 -6.757
339 H SER 38 HN SER 38 27.142 -8.250 -3.259
340 HA SER 38 HA SER 38 29.376 -9.077 -1.531
341 HB2 SER 38 HB2 SER 38 26.515 -9.895 -1.101
342 HB3 SER 38 HB1 SER 38 27.824 -9.765 0.080
343 HG SER 38 HG SER 38 27.363 -7.383 -1.109
344 H LYS 39 HN LYS 39 27.324 -9.985 -4.106
345 HA LYS 39 HA LYS 39 28.682 -12.544 -4.309
346 HB2 LYS 39 HB2 LYS 39 26.354 -13.560 -4.918
347 HB3 LYS 39 HB1 LYS 39 26.826 -13.428 -3.229
348 HG2 LYS 39 HG2 LYS 39 25.587 -11.110 -3.415
349 HG3 LYS 39 HG1 LYS 39 24.770 -11.914 -4.755
350 HD2 LYS 39 HD2 LYS 39 23.993 -13.671 -3.305
351 HD3 LYS 39 HD1 LYS 39 24.958 -13.048 -1.963
352 HE2 LYS 39 HE2 LYS 39 23.629 -10.943 -2.079
353 HE3 LYS 39 HE1 LYS 39 22.588 -11.718 -3.272
354 HZ1 LYS 39 HZ1 LYS 39 21.558 -11.943 -1.174
355 HZ2 LYS 39 HZ2 LYS 39 22.980 -12.493 -0.438
356 HZ3 LYS 39 HZ3 LYS 39 22.177 -13.471 -1.563
357 HA PRO 40 HA PRO 40 28.464 -10.443 -8.323
358 HB2 PRO 40 HB2 PRO 40 30.836 -11.361 -9.230
359 HB3 PRO 40 HB1 PRO 40 30.703 -9.982 -8.134
360 HG2 PRO 40 HG2 PRO 40 31.412 -12.822 -7.530
361 HG3 PRO 40 HG1 PRO 40 32.099 -11.327 -6.872
362 HD2 PRO 40 HD2 PRO 40 30.248 -12.859 -5.560
363 HD3 PRO 40 HD1 PRO 40 30.453 -11.116 -5.298
Start of MODEL 16
1 H1 MET 1 HT1 MET 1 -20.789 4.370 -20.732
2 H2 MET 1 HT2 MET 1 -21.726 5.622 -20.094
3 H3 MET 1 HT3 MET 1 -22.442 4.453 -21.084
4 HA MET 1 HA MET 1 -22.965 4.114 -18.753
5 HB2 MET 1 HB2 MET 1 -21.268 2.063 -20.163
6 HB3 MET 1 HB1 MET 1 -22.057 1.724 -18.629
7 HG2 MET 1 HG2 MET 1 -23.462 0.866 -20.303
8 HG3 MET 1 HG1 MET 1 -24.223 2.348 -19.729
9 HE1 MET 1 HE1 MET 1 -25.768 2.968 -21.789
10 HE2 MET 1 HE2 MET 1 -25.411 1.276 -22.133
11 HE3 MET 1 HE3 MET 1 -25.303 2.476 -23.417
12 H LYS 2 HN LYS 2 -22.344 4.137 -16.682
13 HA LYS 2 HA LYS 2 -19.473 4.488 -16.159
14 HB2 LYS 2 HB2 LYS 2 -21.730 6.004 -15.363
15 HB3 LYS 2 HB1 LYS 2 -21.109 5.216 -13.918
16 HG2 LYS 2 HG2 LYS 2 -19.942 7.208 -13.942
17 HG3 LYS 2 HG1 LYS 2 -18.811 6.102 -14.718
18 HD2 LYS 2 HD2 LYS 2 -19.481 6.894 -16.904
19 HD3 LYS 2 HD1 LYS 2 -20.707 7.934 -16.180
20 HE2 LYS 2 HE2 LYS 2 -18.850 9.075 -14.936
21 HE3 LYS 2 HE1 LYS 2 -17.718 8.168 -15.933
22 HZ1 LYS 2 HZ1 LYS 2 -18.136 10.377 -16.817
23 HZ2 LYS 2 HZ2 LYS 2 -19.784 10.036 -16.946
24 HZ3 LYS 2 HZ3 LYS 2 -18.674 9.189 -17.895
25 H VAL 3 HN VAL 3 -18.575 3.474 -14.283
26 HA VAL 3 HA VAL 3 -20.147 1.168 -13.345
27 HB VAL 3 HB VAL 3 -18.402 0.301 -14.737
28 HG11 VAL 3 HG11 VAL 3 -15.967 0.772 -14.055
29 HG12 VAL 3 HG12 VAL 3 -16.624 2.194 -13.239
30 HG13 VAL 3 HG13 VAL 3 -16.830 1.998 -14.980
31 HG21 VAL 3 HG21 VAL 3 -17.899 0.006 -11.797
32 HG22 VAL 3 HG22 VAL 3 -16.957 -0.891 -12.991
33 HG23 VAL 3 HG23 VAL 3 -18.705 -1.107 -12.902
34 H HIS 4 HN HIS 4 -20.681 1.372 -11.291
35 HA HIS 4 HA HIS 4 -18.700 2.257 -9.351
36 HB2 HIS 4 HB2 HIS 4 -20.861 3.940 -10.264
37 HB3 HIS 4 HB1 HIS 4 -21.065 3.568 -8.556
38 HD1 HIS 4 HD1 HIS 4 -20.009 5.272 -7.112
39 HD2 HIS 4 HD2 HIS 4 -17.960 4.823 -10.701
40 HE1 HIS 4 HE1 HIS 4 -18.095 6.899 -7.006
41 HE2 HIS 4 HE2 HIS 4 -16.836 6.571 -9.166
42 H ARG 5 HN ARG 5 -20.013 2.254 -7.077
43 HA ARG 5 HA ARG 5 -20.944 0.977 -5.457
44 HB2 ARG 5 HB2 ARG 5 -23.024 1.362 -6.673
45 HB3 ARG 5 HB1 ARG 5 -22.693 -0.014 -7.717
46 HG2 ARG 5 HG2 ARG 5 -22.854 -1.514 -5.799
47 HG3 ARG 5 HG1 ARG 5 -23.171 -0.136 -4.749
48 HD2 ARG 5 HD2 ARG 5 -25.202 0.361 -5.985
49 HD3 ARG 5 HD1 ARG 5 -24.884 -0.988 -7.073
50 HE ARG 5 HE ARG 5 -25.172 -2.468 -5.153
51 HH11 ARG 5 HH11 ARG 5 -26.460 0.782 -4.905
52 HH12 ARG 5 HH12 ARG 5 -27.593 0.365 -3.662
53 HH21 ARG 5 HH21 ARG 5 -26.665 -3.026 -3.547
54 HH22 ARG 5 HH22 ARG 5 -27.722 -1.810 -2.896
55 H MET 6 HN MET 6 -18.999 -0.126 -5.156
56 HA MET 6 HA MET 6 -17.599 -1.905 -4.979
57 HB2 MET 6 HB2 MET 6 -19.743 -2.715 -3.875
58 HB3 MET 6 HB1 MET 6 -20.066 -3.602 -5.359
59 HG2 MET 6 HG2 MET 6 -17.870 -4.749 -5.051
60 HG3 MET 6 HG1 MET 6 -17.746 -3.967 -3.479
61 HE1 MET 6 HE1 MET 6 -20.821 -7.197 -4.642
62 HE2 MET 6 HE2 MET 6 -19.494 -6.633 -5.661
63 HE3 MET 6 HE3 MET 6 -20.874 -5.583 -5.347
64 HA PRO 7 HA PRO 7 -17.601 -2.694 -9.585
65 HB2 PRO 7 HB2 PRO 7 -14.989 -1.391 -9.568
66 HB3 PRO 7 HB1 PRO 7 -16.430 -0.986 -10.503
67 HG2 PRO 7 HG2 PRO 7 -15.507 0.581 -8.504
68 HG3 PRO 7 HG1 PRO 7 -17.232 0.447 -8.897
69 HD2 PRO 7 HD2 PRO 7 -15.675 -0.893 -6.713
70 HD3 PRO 7 HD1 PRO 7 -17.284 -0.141 -6.646
71 H LYS 8 HN LYS 8 -15.238 -3.162 -7.033
72 HA LYS 8 HA LYS 8 -14.261 -5.531 -8.491
73 HB2 LYS 8 HB2 LYS 8 -12.665 -3.526 -8.322
74 HB3 LYS 8 HB1 LYS 8 -12.538 -3.936 -6.617
75 HG2 LYS 8 HG2 LYS 8 -11.603 -6.067 -7.118
76 HG3 LYS 8 HG1 LYS 8 -11.946 -5.878 -8.838
77 HD2 LYS 8 HD2 LYS 8 -10.398 -3.911 -8.847
78 HD3 LYS 8 HD1 LYS 8 -9.965 -4.310 -7.184
79 HE2 LYS 8 HE2 LYS 8 -9.057 -6.417 -7.853
80 HE3 LYS 8 HE1 LYS 8 -9.682 -6.230 -9.492
81 HZ1 LYS 8 HZ1 LYS 8 -7.369 -5.720 -9.493
82 HZ2 LYS 8 HZ2 LYS 8 -7.532 -4.641 -8.205
83 HZ3 LYS 8 HZ3 LYS 8 -8.208 -4.266 -9.710
84 H GLY 9 HN GLY 9 -14.590 -4.026 -5.285
85 HA2 GLY 9 HA2 GLY 9 -15.566 -5.066 -3.413
86 HA3 GLY 9 HA1 GLY 9 -15.354 -6.628 -4.194
87 H VAL 10 HN VAL 10 -13.021 -7.252 -4.539
88 HA VAL 10 HA VAL 10 -11.013 -7.875 -3.702
89 HB VAL 10 HB VAL 10 -10.856 -5.276 -2.180
90 HG11 VAL 10 HG11 VAL 10 -9.110 -7.065 -1.892
91 HG12 VAL 10 HG12 VAL 10 -8.506 -5.501 -2.438
92 HG13 VAL 10 HG13 VAL 10 -8.689 -6.826 -3.589
93 HG21 VAL 10 HG21 VAL 10 -10.246 -5.694 -5.107
94 HG22 VAL 10 HG22 VAL 10 -9.909 -4.234 -4.176
95 HG23 VAL 10 HG23 VAL 10 -11.577 -4.740 -4.452
96 H VAL 11 HN VAL 11 -12.799 -9.181 -2.473
97 HA VAL 11 HA VAL 11 -12.537 -8.782 0.420
98 HB VAL 11 HB VAL 11 -14.807 -9.128 -0.709
99 HG11 VAL 11 HG11 VAL 11 -13.833 -11.981 -0.796
100 HG12 VAL 11 HG12 VAL 11 -14.215 -10.960 -2.183
101 HG13 VAL 11 HG13 VAL 11 -15.493 -11.450 -1.074
102 HG21 VAL 11 HG21 VAL 11 -13.956 -10.857 1.604
103 HG22 VAL 11 HG22 VAL 11 -15.633 -10.551 1.155
104 HG23 VAL 11 HG23 VAL 11 -14.603 -9.217 1.669
105 H LEU 12 HN LEU 12 -10.969 -10.341 -1.980
106 HA LEU 12 HA LEU 12 -10.515 -12.876 -0.694
107 HB2 LEU 12 HB2 LEU 12 -10.508 -12.540 -3.175
108 HB3 LEU 12 HB1 LEU 12 -9.016 -11.638 -2.999
109 HG LEU 12 HG LEU 12 -8.033 -13.740 -1.942
110 HD11 LEU 12 HD11 LEU 12 -10.144 -14.862 -1.464
111 HD12 LEU 12 HD12 LEU 12 -9.116 -15.843 -2.510
112 HD13 LEU 12 HD13 LEU 12 -10.485 -14.966 -3.190
113 HD21 LEU 12 HD21 LEU 12 -8.892 -13.829 -4.831
114 HD22 LEU 12 HD22 LEU 12 -7.578 -14.763 -4.117
115 HD23 LEU 12 HD23 LEU 12 -7.470 -13.004 -4.197
116 H VAL 13 HN VAL 13 -9.190 -13.113 0.980
117 HA VAL 13 HA VAL 13 -6.852 -11.326 1.210
118 HB VAL 13 HB VAL 13 -7.950 -12.674 3.634
119 HG11 VAL 13 HG11 VAL 13 -6.645 -10.016 3.098
120 HG12 VAL 13 HG12 VAL 13 -5.939 -11.417 3.902
121 HG13 VAL 13 HG13 VAL 13 -7.243 -10.518 4.678
122 HG21 VAL 13 HG21 VAL 13 -9.219 -10.239 2.388
123 HG22 VAL 13 HG22 VAL 13 -9.502 -10.781 4.042
124 HG23 VAL 13 HG23 VAL 13 -9.984 -11.798 2.686
125 H GLY 14 HN GLY 14 -5.134 -12.403 2.705
126 HA2 GLY 14 HA2 GLY 14 -4.426 -14.683 3.464
127 HA3 GLY 14 HA1 GLY 14 -4.895 -15.217 1.858
128 H LYS 15 HN LYS 15 -3.442 -15.160 0.264
129 HA LYS 15 HA LYS 15 -0.711 -14.706 0.865
130 HB2 LYS 15 HB2 LYS 15 -1.949 -14.970 -1.877
131 HB3 LYS 15 HB1 LYS 15 -0.278 -15.287 -1.433
132 HG2 LYS 15 HG2 LYS 15 -1.005 -17.167 -0.054
133 HG3 LYS 15 HG1 LYS 15 -2.680 -16.851 -0.513
134 HD2 LYS 15 HD2 LYS 15 -1.995 -18.564 -1.953
135 HD3 LYS 15 HD1 LYS 15 -1.872 -17.097 -2.922
136 HE2 LYS 15 HE2 LYS 15 0.089 -18.472 -3.280
137 HE3 LYS 15 HE1 LYS 15 0.541 -17.000 -2.424
138 HZ1 LYS 15 HZ1 LYS 15 0.870 -18.143 -0.460
139 HZ2 LYS 15 HZ2 LYS 15 1.460 -19.231 -1.613
140 HZ3 LYS 15 HZ3 LYS 15 -0.068 -19.465 -0.939
141 H ALA 16 HN ALA 16 -3.229 -12.687 -0.294
142 HA ALA 16 HA ALA 16 -1.858 -10.781 -1.783
143 HB1 ALA 16 HB1 ALA 16 -4.222 -10.357 0.039
144 HB2 ALA 16 HB2 ALA 16 -4.291 -10.871 -1.647
145 HB3 ALA 16 HB3 ALA 16 -3.694 -9.262 -1.237
146 H TRP 17 HN TRP 17 -1.859 -11.337 1.644
147 HA TRP 17 HA TRP 17 -0.939 -8.747 2.407
148 HB2 TRP 17 HB2 TRP 17 -1.981 -10.798 3.815
149 HB3 TRP 17 HB1 TRP 17 -0.269 -11.077 4.123
150 HD1 TRP 17 HD1 TRP 17 0.909 -9.510 5.838
151 HE1 TRP 17 HE1 TRP 17 0.117 -7.565 7.328
152 HE3 TRP 17 HE3 TRP 17 -3.700 -8.748 3.788
153 HZ2 TRP 17 HZ2 TRP 17 -2.159 -5.916 7.586
154 HZ3 TRP 17 HZ3 TRP 17 -5.122 -6.962 4.703
155 HH2 TRP 17 HH2 TRP 17 -4.365 -5.577 6.563
156 H GLU 18 HN GLU 18 0.639 -11.852 1.761
157 HA GLU 18 HA GLU 18 3.259 -10.990 2.398
158 HB2 GLU 18 HB2 GLU 18 2.779 -13.348 2.356
159 HB3 GLU 18 HB1 GLU 18 2.270 -13.267 0.675
160 HG2 GLU 18 HG2 GLU 18 4.420 -13.119 -0.115
161 HG3 GLU 18 HG1 GLU 18 5.040 -12.453 1.392
162 H ILE 19 HN ILE 19 1.340 -10.970 -0.546
163 HA ILE 19 HA ILE 19 3.343 -10.357 -2.396
164 HB ILE 19 HB ILE 19 0.480 -9.388 -2.449
165 HG12 ILE 19 HG12 ILE 19 0.585 -11.821 -2.218
166 HG13 ILE 19 HG11 ILE 19 0.029 -11.379 -3.829
167 HG21 ILE 19 HG21 ILE 19 0.791 -9.292 -4.884
168 HG22 ILE 19 HG22 ILE 19 2.489 -9.713 -4.672
169 HG23 ILE 19 HG23 ILE 19 1.870 -8.191 -4.031
170 HD11 ILE 19 HD11 ILE 19 2.746 -12.390 -3.039
171 HD12 ILE 19 HD12 ILE 19 2.369 -11.737 -4.634
172 HD13 ILE 19 HD13 ILE 19 1.547 -13.187 -4.055
173 H ARG 20 HN ARG 20 1.401 -8.247 -0.323
174 HA ARG 20 HA ARG 20 2.358 -5.796 -1.348
175 HB2 ARG 20 HB2 ARG 20 0.327 -6.225 0.188
176 HB3 ARG 20 HB1 ARG 20 1.492 -6.180 1.507
177 HG2 ARG 20 HG2 ARG 20 2.192 -3.916 0.683
178 HG3 ARG 20 HG1 ARG 20 0.815 -3.975 -0.417
179 HD2 ARG 20 HD2 ARG 20 -0.497 -4.545 1.797
180 HD3 ARG 20 HD1 ARG 20 0.871 -3.730 2.548
181 HE ARG 20 HE ARG 20 -0.970 -2.509 0.600
182 HH11 ARG 20 HH11 ARG 20 1.369 -2.208 3.194
183 HH12 ARG 20 HH12 ARG 20 1.116 -0.505 3.396
184 HH21 ARG 20 HH21 ARG 20 -1.307 -0.272 0.865
185 HH22 ARG 20 HH22 ARG 20 -0.403 0.597 2.064
186 H ALA 21 HN ALA 21 3.430 -7.869 1.293
187 HA ALA 21 HA ALA 21 5.455 -6.194 2.302
188 HB1 ALA 21 HB1 ALA 21 4.514 -8.174 3.479
189 HB2 ALA 21 HB2 ALA 21 6.276 -8.134 3.458
190 HB3 ALA 21 HB3 ALA 21 5.406 -9.212 2.365
191 H LYS 22 HN LYS 22 5.520 -8.810 -0.079
192 HA LYS 22 HA LYS 22 8.286 -8.741 -0.613
193 HB2 LYS 22 HB2 LYS 22 6.748 -10.587 -1.248
194 HB3 LYS 22 HB1 LYS 22 6.048 -9.548 -2.483
195 HG2 LYS 22 HG2 LYS 22 8.429 -9.354 -3.404
196 HG3 LYS 22 HG1 LYS 22 8.800 -10.730 -2.366
197 HD2 LYS 22 HD2 LYS 22 7.005 -12.015 -3.474
198 HD3 LYS 22 HD1 LYS 22 6.718 -10.644 -4.549
199 HE2 LYS 22 HE2 LYS 22 9.169 -10.828 -5.189
200 HE3 LYS 22 HE1 LYS 22 9.167 -12.377 -4.353
201 HZ1 LYS 22 HZ1 LYS 22 8.791 -12.648 -6.718
202 HZ2 LYS 22 HZ2 LYS 22 7.427 -11.653 -6.646
203 HZ3 LYS 22 HZ3 LYS 22 7.431 -13.140 -5.845
204 H LEU 23 HN LEU 23 5.548 -7.049 -2.057
205 HA LEU 23 HA LEU 23 6.955 -5.827 -4.174
206 HB2 LEU 23 HB2 LEU 23 4.304 -5.596 -2.999
207 HB3 LEU 23 HB1 LEU 23 4.934 -4.035 -3.476
208 HG LEU 23 HG LEU 23 5.306 -4.884 -5.757
209 HD11 LEU 23 HD11 LEU 23 5.632 -7.238 -5.240
210 HD12 LEU 23 HD12 LEU 23 4.342 -7.031 -6.422
211 HD13 LEU 23 HD13 LEU 23 3.945 -7.374 -4.739
212 HD21 LEU 23 HD21 LEU 23 3.235 -3.731 -5.213
213 HD22 LEU 23 HD22 LEU 23 2.500 -5.258 -4.723
214 HD23 LEU 23 HD23 LEU 23 2.954 -5.000 -6.407
215 H LYS 24 HN LYS 24 6.481 -4.925 -0.817
216 HA LYS 24 HA LYS 24 7.595 -2.311 -1.119
217 HB2 LYS 24 HB2 LYS 24 6.034 -2.808 0.698
218 HB3 LYS 24 HB1 LYS 24 7.151 -3.993 1.355
219 HG2 LYS 24 HG2 LYS 24 7.167 -1.869 2.598
220 HG3 LYS 24 HG1 LYS 24 8.742 -2.267 1.912
221 HD2 LYS 24 HD2 LYS 24 8.355 0.064 1.554
222 HD3 LYS 24 HD1 LYS 24 8.201 -0.752 -0.003
223 HE2 LYS 24 HE2 LYS 24 5.772 -0.724 0.217
224 HE3 LYS 24 HE1 LYS 24 5.913 0.072 1.784
225 HZ1 LYS 24 HZ1 LYS 24 6.517 1.158 -0.892
226 HZ2 LYS 24 HZ2 LYS 24 7.169 1.864 0.499
227 HZ3 LYS 24 HZ3 LYS 24 5.493 1.785 0.295
228 H GLU 25 HN GLU 25 8.847 -5.492 -0.331
229 HA GLU 25 HA GLU 25 11.372 -4.638 0.600
230 HB2 GLU 25 HB2 GLU 25 10.402 -7.246 -0.549
231 HB3 GLU 25 HB1 GLU 25 12.060 -7.014 -0.023
232 HG2 GLU 25 HG2 GLU 25 9.636 -6.698 1.716
233 HG3 GLU 25 HG1 GLU 25 10.687 -8.110 1.675
234 H TYR 26 HN TYR 26 10.218 -5.633 -2.591
235 HA TYR 26 HA TYR 26 12.806 -5.189 -3.798
236 HB2 TYR 26 HB2 TYR 26 11.066 -6.931 -4.530
237 HB3 TYR 26 HB1 TYR 26 10.198 -5.588 -5.264
238 HD1 TYR 26 HD2 TYR 26 11.325 -4.282 -7.112
239 HD2 TYR 26 HD1 TYR 26 12.905 -7.934 -5.609
240 HE1 TYR 26 HE2 TYR 26 12.693 -4.519 -9.147
241 HE2 TYR 26 HE1 TYR 26 14.273 -8.183 -7.638
242 HH TYR 26 HH TYR 26 14.187 -7.401 -10.019
243 H GLY 27 HN GLY 27 9.705 -3.538 -3.596
244 HA2 GLY 27 HA2 GLY 27 10.737 -1.360 -5.275
245 HA3 GLY 27 HA1 GLY 27 9.054 -1.609 -4.842
246 H ARG 28 HN ARG 28 11.990 -1.441 -2.854
247 HA ARG 28 HA ARG 28 10.642 0.521 -1.165
248 HB2 ARG 28 HB2 ARG 28 11.754 -1.448 -0.120
249 HB3 ARG 28 HB1 ARG 28 13.301 -0.851 -0.711
250 HG2 ARG 28 HG2 ARG 28 12.830 1.264 0.590
251 HG3 ARG 28 HG1 ARG 28 11.486 0.396 1.333
252 HD2 ARG 28 HD2 ARG 28 12.859 -1.013 2.504
253 HD3 ARG 28 HD1 ARG 28 14.168 -0.888 1.328
254 HE ARG 28 HE ARG 28 13.660 1.570 2.720
255 HH11 ARG 28 HH11 ARG 28 15.331 -1.496 2.901
256 HH12 ARG 28 HH12 ARG 28 16.584 -0.892 3.940
257 HH21 ARG 28 HH21 ARG 28 15.323 2.368 4.075
258 HH22 ARG 28 HH22 ARG 28 16.583 1.293 4.605
259 H THR 29 HN THR 29 14.067 0.209 -2.039
260 HA THR 29 HA THR 29 14.049 2.849 -3.250
261 HB THR 29 HB THR 29 16.208 3.309 -1.817
262 HG1 THR 29 HG1 THR 29 15.531 2.462 0.429
263 HG21 THR 29 HG21 THR 29 14.892 4.579 -0.225
264 HG22 THR 29 HG22 THR 29 13.460 3.616 -0.598
265 HG23 THR 29 HG23 THR 29 14.152 4.688 -1.817
266 H PHE 30 HN PHE 30 16.690 0.906 -1.908
267 HA PHE 30 HA PHE 30 18.011 0.927 -4.486
268 HB2 PHE 30 HB2 PHE 30 19.031 1.198 -2.056
269 HB3 PHE 30 HB1 PHE 30 19.097 -0.559 -2.131
270 HD1 PHE 30 HD2 PHE 30 20.563 -1.685 -3.709
271 HD2 PHE 30 HD1 PHE 30 20.449 2.560 -3.432
272 HE1 PHE 30 HE2 PHE 30 22.669 -1.549 -4.972
273 HE2 PHE 30 HE1 PHE 30 22.561 2.703 -4.685
274 HZ PHE 30 HZ PHE 30 23.670 0.646 -5.460
275 H GLN 31 HN GLN 31 16.498 -0.409 -5.615
276 HA GLN 31 HA GLN 31 16.103 -3.138 -4.803
277 HB2 GLN 31 HB2 GLN 31 15.005 -3.327 -7.076
278 HB3 GLN 31 HB1 GLN 31 14.297 -2.159 -5.971
279 HG2 GLN 31 HG2 GLN 31 14.372 -0.774 -7.717
280 HG3 GLN 31 HG1 GLN 31 16.081 -0.609 -7.314
281 HE21 GLN 31 HE21 GLN 31 13.765 -1.997 -9.474
282 HE22 GLN 31 HE22 GLN 31 14.886 -2.504 -10.685
283 H TYR 32 HN TYR 32 18.558 -1.505 -6.472
284 HA TYR 32 HA TYR 32 19.362 -3.421 -8.353
285 HB2 TYR 32 HB2 TYR 32 20.714 -1.154 -6.968
286 HB3 TYR 32 HB1 TYR 32 21.703 -2.303 -7.860
287 HD1 TYR 32 HD1 TYR 32 20.137 -2.913 -10.212
288 HD2 TYR 32 HD2 TYR 32 20.612 0.805 -8.196
289 HE1 TYR 32 HE1 TYR 32 19.665 -1.719 -12.309
290 HE2 TYR 32 HE2 TYR 32 20.135 2.005 -10.290
291 HH TYR 32 HH TYR 32 20.366 1.454 -12.814
292 H VAL 33 HN VAL 33 19.874 -3.238 -4.907
293 HA VAL 33 HA VAL 33 22.001 -5.157 -4.864
294 HB VAL 33 HB VAL 33 21.580 -3.389 -3.101
295 HG11 VAL 33 HG11 VAL 33 19.484 -5.366 -2.210
296 HG12 VAL 33 HG12 VAL 33 19.218 -3.703 -2.732
297 HG13 VAL 33 HG13 VAL 33 20.097 -4.028 -1.238
298 HG21 VAL 33 HG21 VAL 33 21.989 -6.246 -2.236
299 HG22 VAL 33 HG22 VAL 33 22.344 -4.832 -1.244
300 HG23 VAL 33 HG23 VAL 33 23.229 -5.098 -2.745
301 H LYS 34 HN LYS 34 18.645 -5.398 -5.226
302 HA LYS 34 HA LYS 34 18.524 -8.103 -4.135
303 HB2 LYS 34 HB2 LYS 34 16.682 -6.451 -3.707
304 HB3 LYS 34 HB1 LYS 34 16.313 -6.490 -5.425
305 HG2 LYS 34 HG2 LYS 34 14.813 -7.907 -4.086
306 HG3 LYS 34 HG1 LYS 34 15.719 -8.821 -5.294
307 HD2 LYS 34 HD2 LYS 34 17.274 -9.583 -3.590
308 HD3 LYS 34 HD1 LYS 34 16.461 -8.601 -2.371
309 HE2 LYS 34 HE2 LYS 34 14.531 -9.957 -2.426
310 HE3 LYS 34 HE1 LYS 34 15.026 -10.735 -3.925
311 HZ1 LYS 34 HZ1 LYS 34 16.502 -11.016 -1.375
312 HZ2 LYS 34 HZ2 LYS 34 16.739 -11.896 -2.800
313 HZ3 LYS 34 HZ3 LYS 34 15.323 -12.109 -1.899
314 H ASP 35 HN ASP 35 18.479 -6.371 -7.173
315 HA ASP 35 HA ASP 35 17.911 -8.744 -8.726
316 HB2 ASP 35 HB2 ASP 35 17.124 -6.561 -9.522
317 HB3 ASP 35 HB1 ASP 35 18.785 -5.978 -9.597
318 H TRP 36 HN TRP 36 20.708 -6.855 -7.788
319 HA TRP 36 HA TRP 36 22.436 -8.854 -9.093
320 HB2 TRP 36 HB2 TRP 36 22.326 -6.178 -9.725
321 HB3 TRP 36 HB1 TRP 36 23.636 -6.224 -8.554
322 HD1 TRP 36 HD1 TRP 36 24.305 -9.365 -9.876
323 HE1 TRP 36 HE1 TRP 36 25.838 -9.326 -11.948
324 HE3 TRP 36 HE3 TRP 36 23.777 -4.458 -11.193
325 HZ2 TRP 36 HZ2 TRP 36 26.702 -7.469 -13.881
326 HZ3 TRP 36 HZ3 TRP 36 24.983 -3.626 -13.175
327 HH2 TRP 36 HH2 TRP 36 26.413 -5.103 -14.490
328 H ILE 37 HN ILE 37 22.764 -10.145 -7.273
329 HA ILE 37 HA ILE 37 24.356 -8.856 -5.180
330 HB ILE 37 HB ILE 37 22.169 -8.890 -4.216
331 HG12 ILE 37 HG12 ILE 37 23.706 -11.209 -3.032
332 HG13 ILE 37 HG11 ILE 37 24.135 -9.521 -2.789
333 HG21 ILE 37 HG21 ILE 37 20.880 -10.952 -3.894
334 HG22 ILE 37 HG22 ILE 37 22.067 -11.830 -4.858
335 HG23 ILE 37 HG23 ILE 37 21.098 -10.557 -5.600
336 HD11 ILE 37 HD11 ILE 37 21.987 -9.130 -1.705
337 HD12 ILE 37 HD12 ILE 37 22.900 -10.403 -0.893
338 HD13 ILE 37 HD13 ILE 37 21.552 -10.819 -1.952
339 H SER 38 HN SER 38 26.216 -9.831 -5.092
340 HA SER 38 HA SER 38 26.343 -12.763 -5.316
341 HB2 SER 38 HB2 SER 38 28.744 -12.193 -6.235
342 HB3 SER 38 HB1 SER 38 27.354 -12.125 -7.318
343 HG SER 38 HG SER 38 28.135 -10.178 -7.665
344 H LYS 39 HN LYS 39 26.089 -11.021 -3.016
345 HA LYS 39 HA LYS 39 26.872 -10.723 -0.919
346 HB2 LYS 39 HB2 LYS 39 27.477 -13.307 -1.519
347 HB3 LYS 39 HB1 LYS 39 29.073 -12.682 -1.116
348 HG2 LYS 39 HG2 LYS 39 26.613 -12.694 0.633
349 HG3 LYS 39 HG1 LYS 39 28.094 -13.627 0.854
350 HD2 LYS 39 HD2 LYS 39 28.066 -10.612 0.862
351 HD3 LYS 39 HD1 LYS 39 27.793 -11.564 2.322
352 HE2 LYS 39 HE2 LYS 39 29.965 -12.503 2.220
353 HE3 LYS 39 HE1 LYS 39 30.222 -11.911 0.580
354 HZ1 LYS 39 HZ1 LYS 39 29.840 -10.118 2.907
355 HZ2 LYS 39 HZ2 LYS 39 30.369 -9.693 1.354
356 HZ3 LYS 39 HZ3 LYS 39 31.361 -10.620 2.370
357 HA PRO 40 HA PRO 40 30.565 -8.332 -2.260
358 HB2 PRO 40 HB2 PRO 40 29.176 -5.877 -2.021
359 HB3 PRO 40 HB1 PRO 40 29.626 -6.698 -3.514
360 HG2 PRO 40 HG2 PRO 40 27.017 -6.298 -2.599
361 HG3 PRO 40 HG1 PRO 40 27.510 -7.451 -3.852
362 HD2 PRO 40 HD2 PRO 40 26.941 -7.924 -0.957
363 HD3 PRO 40 HD1 PRO 40 26.607 -8.963 -2.361
Start of MODEL 17
1 H1 MET 1 HT1 MET 1 18.880 -15.861 18.065
2 H2 MET 1 HT2 MET 1 17.562 -16.070 17.032
3 H3 MET 1 HT3 MET 1 19.060 -15.601 16.407
4 HA MET 1 HA MET 1 20.033 -17.674 16.877
5 HB2 MET 1 HB2 MET 1 17.670 -17.932 18.619
6 HB3 MET 1 HB1 MET 1 18.133 -19.406 17.785
7 HG2 MET 1 HG2 MET 1 20.365 -19.268 18.717
8 HG3 MET 1 HG1 MET 1 19.963 -17.740 19.495
9 HE1 MET 1 HE1 MET 1 20.983 -18.951 21.722
10 HE2 MET 1 HE2 MET 1 21.156 -20.492 20.884
11 HE3 MET 1 HE3 MET 1 20.291 -20.417 22.418
12 H LYS 2 HN LYS 2 16.513 -17.993 16.376
13 HA LYS 2 HA LYS 2 17.075 -19.358 13.847
14 HB2 LYS 2 HB2 LYS 2 14.565 -19.191 15.523
15 HB3 LYS 2 HB1 LYS 2 14.641 -19.980 13.955
16 HG2 LYS 2 HG2 LYS 2 16.333 -21.525 14.815
17 HG3 LYS 2 HG1 LYS 2 16.229 -20.750 16.394
18 HD2 LYS 2 HD2 LYS 2 13.878 -21.387 16.563
19 HD3 LYS 2 HD1 LYS 2 13.959 -22.134 14.967
20 HE2 LYS 2 HE2 LYS 2 15.692 -22.965 17.290
21 HE3 LYS 2 HE1 LYS 2 14.142 -23.718 16.914
22 HZ1 LYS 2 HZ1 LYS 2 15.916 -24.997 15.959
23 HZ2 LYS 2 HZ2 LYS 2 16.542 -23.643 15.162
24 HZ3 LYS 2 HZ3 LYS 2 15.040 -24.272 14.709
25 H VAL 3 HN VAL 3 15.227 -16.635 15.155
26 HA VAL 3 HA VAL 3 14.724 -15.733 12.401
27 HB VAL 3 HB VAL 3 13.015 -14.249 13.300
28 HG11 VAL 3 HG11 VAL 3 12.341 -16.510 12.706
29 HG12 VAL 3 HG12 VAL 3 11.392 -15.912 14.067
30 HG13 VAL 3 HG13 VAL 3 12.700 -17.063 14.342
31 HG21 VAL 3 HG21 VAL 3 14.083 -13.790 15.475
32 HG22 VAL 3 HG22 VAL 3 13.648 -15.410 16.016
33 HG23 VAL 3 HG23 VAL 3 12.385 -14.237 15.642
34 H HIS 4 HN HIS 4 14.852 -13.298 12.113
35 HA HIS 4 HA HIS 4 17.418 -12.416 13.087
36 HB2 HIS 4 HB2 HIS 4 16.599 -12.000 10.744
37 HB3 HIS 4 HB1 HIS 4 15.442 -10.857 11.413
38 HD1 HIS 4 HD1 HIS 4 19.227 -11.354 11.473
39 HD2 HIS 4 HD2 HIS 4 16.379 -8.323 11.415
40 HE1 HIS 4 HE1 HIS 4 20.528 -9.205 11.335
41 HE2 HIS 4 HE2 HIS 4 18.782 -7.404 11.122
42 H ARG 5 HN ARG 5 14.074 -11.223 13.330
43 HA ARG 5 HA ARG 5 14.345 -10.467 16.035
44 HB2 ARG 5 HB2 ARG 5 15.728 -8.668 14.857
45 HB3 ARG 5 HB1 ARG 5 14.208 -8.083 14.193
46 HG2 ARG 5 HG2 ARG 5 13.419 -7.386 16.246
47 HG3 ARG 5 HG1 ARG 5 14.498 -8.459 17.141
48 HD2 ARG 5 HD2 ARG 5 15.744 -6.631 17.464
49 HD3 ARG 5 HD1 ARG 5 16.261 -6.865 15.796
50 HE ARG 5 HE ARG 5 13.879 -5.343 15.872
51 HH11 ARG 5 HH11 ARG 5 17.289 -5.116 16.575
52 HH12 ARG 5 HH12 ARG 5 17.385 -3.415 16.253
53 HH21 ARG 5 HH21 ARG 5 13.977 -3.077 15.487
54 HH22 ARG 5 HH22 ARG 5 15.489 -2.247 15.664
55 H MET 6 HN MET 6 12.710 -9.311 13.083
56 HA MET 6 HA MET 6 10.149 -9.705 14.480
57 HB2 MET 6 HB2 MET 6 10.544 -7.362 13.924
58 HB3 MET 6 HB1 MET 6 10.833 -7.788 12.242
59 HG2 MET 6 HG2 MET 6 8.537 -8.518 12.000
60 HG3 MET 6 HG1 MET 6 8.231 -8.179 13.703
61 HE1 MET 6 HE1 MET 6 9.765 -5.301 14.118
62 HE2 MET 6 HE2 MET 6 8.254 -5.922 14.776
63 HE3 MET 6 HE3 MET 6 8.279 -4.368 13.948
64 HA PRO 7 HA PRO 7 9.874 -12.842 11.235
65 HB2 PRO 7 HB2 PRO 7 7.811 -14.073 12.826
66 HB3 PRO 7 HB1 PRO 7 9.444 -14.656 12.513
67 HG2 PRO 7 HG2 PRO 7 8.565 -13.810 14.964
68 HG3 PRO 7 HG1 PRO 7 10.263 -13.789 14.454
69 HD2 PRO 7 HD2 PRO 7 8.281 -11.542 14.552
70 HD3 PRO 7 HD1 PRO 7 10.014 -11.547 14.956
71 H LYS 8 HN LYS 8 7.732 -13.968 10.356
72 HA LYS 8 HA LYS 8 5.806 -11.794 9.871
73 HB2 LYS 8 HB2 LYS 8 7.308 -13.380 8.060
74 HB3 LYS 8 HB1 LYS 8 5.629 -13.877 7.903
75 HG2 LYS 8 HG2 LYS 8 5.888 -12.186 6.329
76 HG3 LYS 8 HG1 LYS 8 5.092 -11.396 7.688
77 HD2 LYS 8 HD2 LYS 8 7.201 -10.457 8.429
78 HD3 LYS 8 HD1 LYS 8 8.065 -11.329 7.164
79 HE2 LYS 8 HE2 LYS 8 6.668 -10.086 5.488
80 HE3 LYS 8 HE1 LYS 8 6.066 -9.105 6.822
81 HZ1 LYS 8 HZ1 LYS 8 7.871 -7.976 5.759
82 HZ2 LYS 8 HZ2 LYS 8 8.885 -9.315 5.922
83 HZ3 LYS 8 HZ3 LYS 8 8.382 -8.465 7.296
84 H GLY 9 HN GLY 9 4.585 -12.413 11.717
85 HA2 GLY 9 HA2 GLY 9 3.450 -15.058 11.885
86 HA3 GLY 9 HA1 GLY 9 3.070 -13.690 12.922
87 H VAL 10 HN VAL 10 2.635 -14.767 9.560
88 HA VAL 10 HA VAL 10 0.168 -13.236 9.381
89 HB VAL 10 HB VAL 10 1.384 -14.982 7.243
90 HG11 VAL 10 HG11 VAL 10 -0.953 -14.387 6.895
91 HG12 VAL 10 HG12 VAL 10 0.082 -13.573 5.723
92 HG13 VAL 10 HG13 VAL 10 -0.562 -12.681 7.102
93 HG21 VAL 10 HG21 VAL 10 1.840 -12.041 7.747
94 HG22 VAL 10 HG22 VAL 10 2.394 -12.935 6.332
95 HG23 VAL 10 HG23 VAL 10 3.033 -13.327 7.930
96 H VAL 11 HN VAL 11 -1.224 -14.322 10.730
97 HA VAL 11 HA VAL 11 -1.702 -17.161 10.371
98 HB VAL 11 HB VAL 11 -3.345 -15.287 12.073
99 HG11 VAL 11 HG11 VAL 11 -3.806 -17.271 13.381
100 HG12 VAL 11 HG12 VAL 11 -2.710 -18.221 12.381
101 HG13 VAL 11 HG13 VAL 11 -4.197 -17.573 11.687
102 HG21 VAL 11 HG21 VAL 11 -1.021 -14.917 12.680
103 HG22 VAL 11 HG22 VAL 11 -0.760 -16.655 12.827
104 HG23 VAL 11 HG23 VAL 11 -1.838 -15.829 13.951
105 H LEU 12 HN LEU 12 -2.991 -14.134 9.374
106 HA LEU 12 HA LEU 12 -5.604 -14.953 8.670
107 HB2 LEU 12 HB2 LEU 12 -3.854 -12.633 8.012
108 HB3 LEU 12 HB1 LEU 12 -5.260 -12.914 7.007
109 HG LEU 12 HG LEU 12 -6.683 -12.802 9.057
110 HD11 LEU 12 HD11 LEU 12 -5.753 -11.865 11.091
111 HD12 LEU 12 HD12 LEU 12 -4.142 -11.863 10.375
112 HD13 LEU 12 HD13 LEU 12 -4.962 -13.391 10.696
113 HD21 LEU 12 HD21 LEU 12 -6.502 -10.356 9.309
114 HD22 LEU 12 HD22 LEU 12 -6.460 -10.869 7.622
115 HD23 LEU 12 HD23 LEU 12 -4.969 -10.398 8.437
116 H VAL 13 HN VAL 13 -6.400 -15.893 6.866
117 HA VAL 13 HA VAL 13 -4.583 -17.222 5.101
118 HB VAL 13 HB VAL 13 -7.585 -16.980 4.820
119 HG11 VAL 13 HG11 VAL 13 -7.417 -19.042 3.531
120 HG12 VAL 13 HG12 VAL 13 -5.665 -19.035 3.733
121 HG13 VAL 13 HG13 VAL 13 -6.450 -17.759 2.805
122 HG21 VAL 13 HG21 VAL 13 -7.237 -17.896 6.964
123 HG22 VAL 13 HG22 VAL 13 -5.913 -18.913 6.402
124 HG23 VAL 13 HG23 VAL 13 -7.568 -19.269 5.907
125 H GLY 14 HN GLY 14 -3.999 -16.708 3.050
126 HA2 GLY 14 HA2 GLY 14 -4.802 -15.557 0.957
127 HA3 GLY 14 HA1 GLY 14 -5.038 -14.156 1.993
128 H LYS 15 HN LYS 15 -3.247 -14.776 -0.374
129 HA LYS 15 HA LYS 15 -0.627 -14.345 0.858
130 HB2 LYS 15 HB2 LYS 15 -1.422 -14.964 -1.991
131 HB3 LYS 15 HB1 LYS 15 0.227 -14.646 -1.474
132 HG2 LYS 15 HG2 LYS 15 0.223 -16.592 -0.073
133 HG3 LYS 15 HG1 LYS 15 -1.488 -16.869 -0.396
134 HD2 LYS 15 HD2 LYS 15 -0.280 -18.380 -1.767
135 HD3 LYS 15 HD1 LYS 15 -0.874 -17.102 -2.827
136 HE2 LYS 15 HE2 LYS 15 1.386 -17.564 -3.431
137 HE3 LYS 15 HE1 LYS 15 1.355 -15.997 -2.621
138 HZ1 LYS 15 HZ1 LYS 15 1.932 -18.455 -1.105
139 HZ2 LYS 15 HZ2 LYS 15 2.365 -16.857 -0.739
140 HZ3 LYS 15 HZ3 LYS 15 3.153 -17.693 -1.985
141 H ALA 16 HN ALA 16 -3.066 -12.416 0.203
142 HA ALA 16 HA ALA 16 -2.089 -10.440 -1.541
143 HB1 ALA 16 HB1 ALA 16 -3.944 -10.035 0.802
144 HB2 ALA 16 HB2 ALA 16 -4.442 -10.608 -0.789
145 HB3 ALA 16 HB3 ALA 16 -3.772 -8.986 -0.606
146 H TRP 17 HN TRP 17 -1.880 -10.765 1.979
147 HA TRP 17 HA TRP 17 -0.426 -8.386 2.439
148 HB2 TRP 17 HB2 TRP 17 -1.675 -9.753 4.167
149 HB3 TRP 17 HB1 TRP 17 -0.343 -10.902 4.118
150 HD1 TRP 17 HD1 TRP 17 1.939 -10.197 5.287
151 HE1 TRP 17 HE1 TRP 17 2.526 -8.338 6.971
152 HE3 TRP 17 HE3 TRP 17 -2.253 -7.319 4.806
153 HZ2 TRP 17 HZ2 TRP 17 1.359 -5.969 7.963
154 HZ3 TRP 17 HZ3 TRP 17 -2.440 -5.273 6.157
155 HH2 TRP 17 HH2 TRP 17 -0.670 -4.613 7.704
156 H GLU 18 HN GLU 18 0.488 -11.672 1.663
157 HA GLU 18 HA GLU 18 3.257 -11.484 2.152
158 HB2 GLU 18 HB2 GLU 18 2.005 -13.611 1.832
159 HB3 GLU 18 HB1 GLU 18 1.815 -13.210 0.131
160 HG2 GLU 18 HG2 GLU 18 4.338 -13.149 0.001
161 HG3 GLU 18 HG1 GLU 18 4.342 -13.869 1.611
162 H ILE 19 HN ILE 19 1.346 -11.125 -0.818
163 HA ILE 19 HA ILE 19 3.476 -10.462 -2.521
164 HB ILE 19 HB ILE 19 0.549 -9.719 -2.691
165 HG12 ILE 19 HG12 ILE 19 2.096 -11.831 -4.201
166 HG13 ILE 19 HG11 ILE 19 1.194 -12.157 -2.724
167 HG21 ILE 19 HG21 ILE 19 0.931 -9.230 -5.044
168 HG22 ILE 19 HG22 ILE 19 2.656 -9.539 -4.844
169 HG23 ILE 19 HG23 ILE 19 1.904 -8.172 -4.022
170 HD11 ILE 19 HD11 ILE 19 -0.043 -12.768 -4.750
171 HD12 ILE 19 HD12 ILE 19 0.007 -11.085 -5.276
172 HD13 ILE 19 HD13 ILE 19 -0.871 -11.528 -3.810
173 H ARG 20 HN ARG 20 1.375 -8.513 -0.484
174 HA ARG 20 HA ARG 20 2.205 -5.969 -1.312
175 HB2 ARG 20 HB2 ARG 20 0.293 -5.937 0.021
176 HB3 ARG 20 HB1 ARG 20 0.967 -7.070 1.184
177 HG2 ARG 20 HG2 ARG 20 2.635 -4.961 1.513
178 HG3 ARG 20 HG1 ARG 20 1.130 -4.141 1.081
179 HD2 ARG 20 HD2 ARG 20 -0.034 -5.182 2.886
180 HD3 ARG 20 HD1 ARG 20 1.314 -6.266 3.210
181 HE ARG 20 HE ARG 20 2.569 -4.329 3.974
182 HH11 ARG 20 HH11 ARG 20 -0.906 -3.951 3.679
183 HH12 ARG 20 HH12 ARG 20 -0.986 -2.669 4.841
184 HH21 ARG 20 HH21 ARG 20 2.444 -2.658 5.523
185 HH22 ARG 20 HH22 ARG 20 0.905 -1.939 5.888
186 H ALA 21 HN ALA 21 3.386 -7.991 1.374
187 HA ALA 21 HA ALA 21 5.400 -6.193 2.203
188 HB1 ALA 21 HB1 ALA 21 5.336 -9.186 2.555
189 HB2 ALA 21 HB2 ALA 21 4.547 -8.021 3.619
190 HB3 ALA 21 HB3 ALA 21 6.306 -8.040 3.479
191 H LYS 22 HN LYS 22 5.392 -8.901 -0.029
192 HA LYS 22 HA LYS 22 8.137 -9.043 -0.583
193 HB2 LYS 22 HB2 LYS 22 5.659 -10.054 -1.776
194 HB3 LYS 22 HB1 LYS 22 6.920 -9.748 -2.960
195 HG2 LYS 22 HG2 LYS 22 8.388 -11.264 -1.949
196 HG3 LYS 22 HG1 LYS 22 7.415 -11.360 -0.480
197 HD2 LYS 22 HD2 LYS 22 5.609 -12.433 -1.782
198 HD3 LYS 22 HD1 LYS 22 6.640 -12.381 -3.214
199 HE2 LYS 22 HE2 LYS 22 8.279 -13.795 -2.091
200 HE3 LYS 22 HE1 LYS 22 7.268 -13.839 -0.650
201 HZ1 LYS 22 HZ1 LYS 22 6.346 -14.806 -3.296
202 HZ2 LYS 22 HZ2 LYS 22 5.610 -15.055 -1.788
203 HZ3 LYS 22 HZ3 LYS 22 7.084 -15.807 -2.148
204 H LEU 23 HN LEU 23 5.574 -7.160 -2.144
205 HA LEU 23 HA LEU 23 7.355 -6.121 -4.129
206 HB2 LEU 23 HB2 LEU 23 4.519 -5.678 -3.374
207 HB3 LEU 23 HB1 LEU 23 5.324 -4.398 -4.264
208 HG LEU 23 HG LEU 23 5.811 -5.906 -6.097
209 HD11 LEU 23 HD11 LEU 23 6.031 -7.952 -4.588
210 HD12 LEU 23 HD12 LEU 23 5.256 -8.185 -6.159
211 HD13 LEU 23 HD13 LEU 23 4.272 -8.073 -4.699
212 HD21 LEU 23 HD21 LEU 23 3.677 -4.762 -6.140
213 HD22 LEU 23 HD22 LEU 23 2.936 -6.062 -5.204
214 HD23 LEU 23 HD23 LEU 23 3.516 -6.373 -6.842
215 H LYS 24 HN LYS 24 6.437 -5.145 -0.917
216 HA LYS 24 HA LYS 24 7.382 -2.449 -1.249
217 HB2 LYS 24 HB2 LYS 24 6.580 -4.011 1.204
218 HB3 LYS 24 HB1 LYS 24 7.148 -2.346 1.266
219 HG2 LYS 24 HG2 LYS 24 4.720 -3.332 -0.220
220 HG3 LYS 24 HG1 LYS 24 4.719 -2.462 1.314
221 HD2 LYS 24 HD2 LYS 24 5.599 -0.494 0.271
222 HD3 LYS 24 HD1 LYS 24 5.875 -1.356 -1.243
223 HE2 LYS 24 HE2 LYS 24 3.897 -0.053 -1.503
224 HE3 LYS 24 HE1 LYS 24 3.419 -1.745 -1.389
225 HZ1 LYS 24 HZ1 LYS 24 3.076 0.416 0.586
226 HZ2 LYS 24 HZ2 LYS 24 3.128 -1.193 1.102
227 HZ3 LYS 24 HZ3 LYS 24 1.937 -0.697 0.011
228 H GLU 25 HN GLU 25 8.846 -5.478 -0.467
229 HA GLU 25 HA GLU 25 11.218 -4.105 0.557
230 HB2 GLU 25 HB2 GLU 25 12.120 -6.406 0.938
231 HB3 GLU 25 HB1 GLU 25 10.648 -6.053 1.829
232 HG2 GLU 25 HG2 GLU 25 9.350 -7.322 0.208
233 HG3 GLU 25 HG1 GLU 25 10.815 -7.647 -0.717
234 H TYR 26 HN TYR 26 9.979 -5.431 -2.331
235 HA TYR 26 HA TYR 26 12.608 -5.697 -3.562
236 HB2 TYR 26 HB2 TYR 26 10.388 -7.151 -3.932
237 HB3 TYR 26 HB1 TYR 26 10.111 -5.931 -5.171
238 HD1 TYR 26 HD2 TYR 26 12.493 -8.515 -4.013
239 HD2 TYR 26 HD1 TYR 26 11.271 -6.013 -7.225
240 HE1 TYR 26 HE2 TYR 26 13.980 -9.750 -5.526
241 HE2 TYR 26 HE1 TYR 26 12.749 -7.246 -8.754
242 HH TYR 26 HH TYR 26 14.499 -8.722 -8.844
243 H GLY 27 HN GLY 27 9.687 -3.700 -3.786
244 HA2 GLY 27 HA2 GLY 27 11.300 -1.637 -5.128
245 HA3 GLY 27 HA1 GLY 27 9.767 -2.124 -5.840
246 H ARG 28 HN ARG 28 11.297 -0.541 -3.130
247 HA ARG 28 HA ARG 28 8.757 0.166 -1.932
248 HB2 ARG 28 HB2 ARG 28 10.870 -0.401 -0.641
249 HB3 ARG 28 HB1 ARG 28 11.491 1.160 -1.148
250 HG2 ARG 28 HG2 ARG 28 9.927 2.332 0.125
251 HG3 ARG 28 HG1 ARG 28 8.875 0.926 0.293
252 HD2 ARG 28 HD2 ARG 28 11.641 1.113 1.472
253 HD3 ARG 28 HD1 ARG 28 10.168 1.513 2.354
254 HE ARG 28 HE ARG 28 10.012 -1.093 1.219
255 HH11 ARG 28 HH11 ARG 28 11.511 0.683 3.846
256 HH12 ARG 28 HH12 ARG 28 11.554 -0.687 4.910
257 HH21 ARG 28 HH21 ARG 28 10.089 -2.906 2.621
258 HH22 ARG 28 HH22 ARG 28 10.742 -2.722 4.217
259 H THR 29 HN THR 29 8.048 1.294 -3.922
260 HA THR 29 HA THR 29 9.271 3.884 -4.396
261 HB THR 29 HB THR 29 6.855 2.605 -5.703
262 HG1 THR 29 HG1 THR 29 8.496 1.496 -6.543
263 HG21 THR 29 HG21 THR 29 7.114 4.345 -7.415
264 HG22 THR 29 HG22 THR 29 8.416 5.077 -6.478
265 HG23 THR 29 HG23 THR 29 6.773 5.055 -5.836
266 H PHE 30 HN PHE 30 8.873 4.717 -2.303
267 HA PHE 30 HA PHE 30 7.818 6.007 -0.781
268 HB2 PHE 30 HB2 PHE 30 5.764 6.520 -2.937
269 HB3 PHE 30 HB1 PHE 30 6.123 7.539 -1.549
270 HD1 PHE 30 HD2 PHE 30 9.026 7.658 -1.554
271 HD2 PHE 30 HD1 PHE 30 6.292 7.750 -4.810
272 HE1 PHE 30 HE2 PHE 30 10.675 8.885 -2.896
273 HE2 PHE 30 HE1 PHE 30 7.938 8.989 -6.159
274 HZ PHE 30 HZ PHE 30 10.134 9.556 -5.204
275 H GLN 31 HN GLN 31 5.043 6.539 -0.479
276 HA GLN 31 HA GLN 31 3.507 4.166 -0.315
277 HB2 GLN 31 HB2 GLN 31 4.996 3.601 1.514
278 HB3 GLN 31 HB1 GLN 31 4.779 5.188 2.238
279 HG2 GLN 31 HG2 GLN 31 3.514 3.481 3.426
280 HG3 GLN 31 HG1 GLN 31 2.449 4.682 2.701
281 HE21 GLN 31 HE21 GLN 31 0.690 3.309 2.717
282 HE22 GLN 31 HE22 GLN 31 0.551 1.969 1.634
283 H TYR 32 HN TYR 32 3.991 7.096 1.644
284 HA TYR 32 HA TYR 32 1.256 7.697 1.904
285 HB2 TYR 32 HB2 TYR 32 3.731 9.394 2.206
286 HB3 TYR 32 HB1 TYR 32 2.113 10.001 2.549
287 HD1 TYR 32 HD1 TYR 32 4.611 7.445 3.548
288 HD2 TYR 32 HD2 TYR 32 1.053 9.524 4.608
289 HE1 TYR 32 HE1 TYR 32 4.750 6.511 5.819
290 HE2 TYR 32 HE2 TYR 32 1.189 8.607 6.885
291 HH TYR 32 HH TYR 32 2.174 6.697 8.048
292 H VAL 33 HN VAL 33 3.625 8.567 -0.525
293 HA VAL 33 HA VAL 33 1.985 10.537 -1.800
294 HB VAL 33 HB VAL 33 4.268 9.055 -3.102
295 HG11 VAL 33 HG11 VAL 33 3.180 11.841 -3.502
296 HG12 VAL 33 HG12 VAL 33 2.900 10.463 -4.564
297 HG13 VAL 33 HG13 VAL 33 4.527 11.119 -4.382
298 HG21 VAL 33 HG21 VAL 33 5.300 9.790 -1.143
299 HG22 VAL 33 HG22 VAL 33 4.336 11.264 -1.076
300 HG23 VAL 33 HG23 VAL 33 5.613 11.101 -2.280
301 H LYS 34 HN LYS 34 2.430 7.096 -2.079
302 HA LYS 34 HA LYS 34 1.145 6.770 -4.600
303 HB2 LYS 34 HB2 LYS 34 2.690 5.086 -3.686
304 HB3 LYS 34 HB1 LYS 34 1.583 4.787 -2.354
305 HG2 LYS 34 HG2 LYS 34 -0.096 4.256 -4.317
306 HG3 LYS 34 HG1 LYS 34 1.401 3.958 -5.202
307 HD2 LYS 34 HD2 LYS 34 2.098 2.439 -3.333
308 HD3 LYS 34 HD1 LYS 34 0.478 2.626 -2.660
309 HE2 LYS 34 HE2 LYS 34 1.228 1.426 -5.321
310 HE3 LYS 34 HE1 LYS 34 0.534 0.596 -3.932
311 HZ1 LYS 34 HZ1 LYS 34 -0.840 2.737 -5.449
312 HZ2 LYS 34 HZ2 LYS 34 -1.507 1.782 -4.223
313 HZ3 LYS 34 HZ3 LYS 34 -1.084 1.087 -5.706
314 H ASP 35 HN ASP 35 0.137 6.579 -1.238
315 HA ASP 35 HA ASP 35 -2.585 5.906 -1.889
316 HB2 ASP 35 HB2 ASP 35 -1.397 5.167 0.208
317 HB3 ASP 35 HB1 ASP 35 -1.477 6.833 0.770
318 H TRP 36 HN TRP 36 -0.739 8.756 -1.193
319 HA TRP 36 HA TRP 36 -1.185 10.967 -1.211
320 HB2 TRP 36 HB2 TRP 36 -2.290 10.100 -3.450
321 HB3 TRP 36 HB1 TRP 36 -3.782 10.550 -2.630
322 HD1 TRP 36 HD1 TRP 36 -0.353 12.274 -3.284
323 HE1 TRP 36 HE1 TRP 36 -0.805 14.732 -3.907
324 HE3 TRP 36 HE3 TRP 36 -5.451 12.279 -2.897
325 HZ2 TRP 36 HZ2 TRP 36 -3.033 16.444 -4.198
326 HZ3 TRP 36 HZ3 TRP 36 -6.662 14.367 -3.369
327 HH2 TRP 36 HH2 TRP 36 -5.483 16.404 -4.005
328 H ILE 37 HN ILE 37 -1.644 10.117 1.114
329 HA ILE 37 HA ILE 37 -4.314 10.236 2.068
330 HB ILE 37 HB ILE 37 -2.625 8.991 3.282
331 HG12 ILE 37 HG12 ILE 37 -3.027 9.874 5.571
332 HG13 ILE 37 HG11 ILE 37 -3.672 11.350 4.860
333 HG21 ILE 37 HG21 ILE 37 -0.903 10.222 4.625
334 HG22 ILE 37 HG22 ILE 37 -1.294 11.659 3.680
335 HG23 ILE 37 HG23 ILE 37 -0.638 10.230 2.880
336 HD11 ILE 37 HD11 ILE 37 -5.428 9.811 5.590
337 HD12 ILE 37 HD12 ILE 37 -4.817 8.593 4.470
338 HD13 ILE 37 HD13 ILE 37 -5.485 10.106 3.854
339 H SER 38 HN SER 38 -1.769 12.603 1.669
340 HA SER 38 HA SER 38 -1.681 14.859 1.903
341 HB2 SER 38 HB2 SER 38 -4.698 14.879 1.867
342 HB3 SER 38 HB1 SER 38 -3.592 16.126 1.292
343 HG SER 38 HG SER 38 -3.317 13.646 0.106
344 H LYS 39 HN LYS 39 -0.934 14.322 4.112
345 HA LYS 39 HA LYS 39 -2.790 14.648 6.292
346 HB2 LYS 39 HB2 LYS 39 -0.778 13.137 6.361
347 HB3 LYS 39 HB1 LYS 39 0.227 14.578 6.402
348 HG2 LYS 39 HG2 LYS 39 -0.789 15.255 8.500
349 HG3 LYS 39 HG1 LYS 39 -1.846 13.846 8.455
350 HD2 LYS 39 HD2 LYS 39 -0.028 12.353 8.750
351 HD3 LYS 39 HD1 LYS 39 1.155 13.624 8.429
352 HE2 LYS 39 HE2 LYS 39 -0.705 14.085 10.680
353 HE3 LYS 39 HE1 LYS 39 0.494 12.811 10.901
354 HZ1 LYS 39 HZ1 LYS 39 1.206 15.059 11.652
355 HZ2 LYS 39 HZ2 LYS 39 1.178 15.564 10.039
356 HZ3 LYS 39 HZ3 LYS 39 2.243 14.344 10.526
357 HA PRO 40 HA PRO 40 -2.427 19.117 6.025
358 HB2 PRO 40 HB2 PRO 40 -4.100 19.071 8.437
359 HB3 PRO 40 HB1 PRO 40 -4.428 19.781 6.853
360 HG2 PRO 40 HG2 PRO 40 -5.709 17.577 7.719
361 HG3 PRO 40 HG1 PRO 40 -5.312 17.831 6.011
362 HD2 PRO 40 HD2 PRO 40 -3.939 16.113 8.038
363 HD3 PRO 40 HD1 PRO 40 -4.292 15.784 6.329
Start of MODEL 18
1 H1 MET 1 HT1 MET 1 6.432 -8.762 18.997
2 H2 MET 1 HT2 MET 1 7.418 -9.928 18.275
3 H3 MET 1 HT3 MET 1 7.597 -9.574 19.917
4 HA MET 1 HA MET 1 6.424 -11.662 19.547
5 HB2 MET 1 HB2 MET 1 6.002 -10.166 21.544
6 HB3 MET 1 HB1 MET 1 4.592 -9.553 20.698
7 HG2 MET 1 HG2 MET 1 3.749 -11.911 20.593
8 HG3 MET 1 HG1 MET 1 5.079 -12.360 21.656
9 HE1 MET 1 HE1 MET 1 5.364 -9.972 23.611
10 HE2 MET 1 HE2 MET 1 5.272 -11.631 24.203
11 HE3 MET 1 HE3 MET 1 4.257 -10.382 24.922
12 H LYS 2 HN LYS 2 5.545 -12.598 17.843
13 HA LYS 2 HA LYS 2 3.115 -11.426 16.695
14 HB2 LYS 2 HB2 LYS 2 5.542 -12.370 15.168
15 HB3 LYS 2 HB1 LYS 2 3.951 -12.268 14.424
16 HG2 LYS 2 HG2 LYS 2 5.335 -9.940 15.734
17 HG3 LYS 2 HG1 LYS 2 5.429 -10.305 14.008
18 HD2 LYS 2 HD2 LYS 2 3.121 -9.928 13.703
19 HD3 LYS 2 HD1 LYS 2 2.805 -9.951 15.440
20 HE2 LYS 2 HE2 LYS 2 4.223 -7.898 15.626
21 HE3 LYS 2 HE1 LYS 2 4.279 -7.846 13.865
22 HZ1 LYS 2 HZ1 LYS 2 1.982 -7.466 13.749
23 HZ2 LYS 2 HZ2 LYS 2 2.528 -6.444 14.987
24 HZ3 LYS 2 HZ3 LYS 2 1.731 -7.885 15.369
25 H VAL 3 HN VAL 3 5.156 -14.260 16.052
26 HA VAL 3 HA VAL 3 2.837 -15.963 15.919
27 HB VAL 3 HB VAL 3 4.623 -16.396 14.355
28 HG11 VAL 3 HG11 VAL 3 6.395 -16.754 16.773
29 HG12 VAL 3 HG12 VAL 3 6.515 -15.502 15.537
30 HG13 VAL 3 HG13 VAL 3 6.852 -17.183 15.123
31 HG21 VAL 3 HG21 VAL 3 4.492 -18.560 16.453
32 HG22 VAL 3 HG22 VAL 3 5.067 -18.774 14.800
33 HG23 VAL 3 HG23 VAL 3 3.385 -18.338 15.098
34 H HIS 4 HN HIS 4 2.115 -17.359 17.466
35 HA HIS 4 HA HIS 4 3.019 -16.986 20.136
36 HB2 HIS 4 HB2 HIS 4 0.981 -18.745 18.833
37 HB3 HIS 4 HB1 HIS 4 1.452 -19.054 20.502
38 HD1 HIS 4 HD1 HIS 4 -0.938 -17.197 18.604
39 HD2 HIS 4 HD2 HIS 4 1.172 -16.549 22.123
40 HE1 HIS 4 HE1 HIS 4 -2.173 -15.366 19.802
41 HE2 HIS 4 HE2 HIS 4 -0.766 -14.859 21.828
42 H ARG 5 HN ARG 5 3.321 -19.697 17.846
43 HA ARG 5 HA ARG 5 5.812 -20.450 19.049
44 HB2 ARG 5 HB2 ARG 5 4.281 -21.549 20.607
45 HB3 ARG 5 HB1 ARG 5 3.468 -22.349 19.269
46 HG2 ARG 5 HG2 ARG 5 4.953 -23.908 20.345
47 HG3 ARG 5 HG1 ARG 5 5.578 -23.532 18.739
48 HD2 ARG 5 HD2 ARG 5 7.004 -21.760 19.915
49 HD3 ARG 5 HD1 ARG 5 6.574 -22.591 21.405
50 HE ARG 5 HE ARG 5 7.974 -23.917 19.171
51 HH11 ARG 5 HH11 ARG 5 7.535 -23.335 22.601
52 HH12 ARG 5 HH12 ARG 5 8.816 -24.403 23.062
53 HH21 ARG 5 HH21 ARG 5 9.665 -25.285 19.784
54 HH22 ARG 5 HH22 ARG 5 10.022 -25.522 21.465
55 H MET 6 HN MET 6 3.203 -21.870 17.063
56 HA MET 6 HA MET 6 5.251 -22.839 15.227
57 HB2 MET 6 HB2 MET 6 3.548 -24.268 14.276
58 HB3 MET 6 HB1 MET 6 3.576 -24.455 16.020
59 HG2 MET 6 HG2 MET 6 1.589 -22.749 14.534
60 HG3 MET 6 HG1 MET 6 1.311 -24.426 14.994
61 HE1 MET 6 HE1 MET 6 -1.036 -22.672 17.509
62 HE2 MET 6 HE2 MET 6 -0.853 -23.968 16.327
63 HE3 MET 6 HE3 MET 6 -0.776 -22.284 15.808
64 HA PRO 7 HA PRO 7 3.978 -19.446 12.541
65 HB2 PRO 7 HB2 PRO 7 6.493 -19.322 11.340
66 HB3 PRO 7 HB1 PRO 7 5.978 -18.382 12.738
67 HG2 PRO 7 HG2 PRO 7 7.951 -20.419 12.663
68 HG3 PRO 7 HG1 PRO 7 7.343 -19.566 14.089
69 HD2 PRO 7 HD2 PRO 7 6.633 -22.251 13.040
70 HD3 PRO 7 HD1 PRO 7 6.567 -21.626 14.701
71 H LYS 8 HN LYS 8 3.862 -22.433 12.027
72 HA LYS 8 HA LYS 8 4.474 -22.564 9.176
73 HB2 LYS 8 HB2 LYS 8 3.741 -25.004 9.515
74 HB3 LYS 8 HB1 LYS 8 5.249 -24.493 10.262
75 HG2 LYS 8 HG2 LYS 8 4.301 -24.440 12.404
76 HG3 LYS 8 HG1 LYS 8 2.654 -24.486 11.767
77 HD2 LYS 8 HD2 LYS 8 3.036 -26.776 10.980
78 HD3 LYS 8 HD1 LYS 8 4.687 -26.719 11.608
79 HE2 LYS 8 HE2 LYS 8 3.957 -26.670 13.829
80 HE3 LYS 8 HE1 LYS 8 2.320 -26.198 13.374
81 HZ1 LYS 8 HZ1 LYS 8 2.499 -28.530 14.065
82 HZ2 LYS 8 HZ2 LYS 8 3.539 -28.834 12.767
83 HZ3 LYS 8 HZ3 LYS 8 1.938 -28.370 12.479
84 H GLY 9 HN GLY 9 2.953 -22.769 7.623
85 HA2 GLY 9 HA2 GLY 9 0.284 -23.526 7.970
86 HA3 GLY 9 HA1 GLY 9 0.371 -21.772 8.073
87 H VAL 10 HN VAL 10 -0.702 -23.756 6.017
88 HA VAL 10 HA VAL 10 0.768 -22.690 3.697
89 HB VAL 10 HB VAL 10 -0.990 -25.149 3.719
90 HG11 VAL 10 HG11 VAL 10 0.023 -25.607 1.559
91 HG12 VAL 10 HG12 VAL 10 1.010 -24.151 1.690
92 HG13 VAL 10 HG13 VAL 10 -0.743 -24.018 1.551
93 HG21 VAL 10 HG21 VAL 10 1.025 -25.424 5.152
94 HG22 VAL 10 HG22 VAL 10 2.026 -25.056 3.748
95 HG23 VAL 10 HG23 VAL 10 1.006 -26.494 3.750
96 H VAL 11 HN VAL 11 -0.313 -20.885 3.149
97 HA VAL 11 HA VAL 11 -3.176 -21.181 2.571
98 HB VAL 11 HB VAL 11 -3.116 -19.836 4.537
99 HG11 VAL 11 HG11 VAL 11 -1.110 -18.049 3.172
100 HG12 VAL 11 HG12 VAL 11 -0.758 -19.185 4.475
101 HG13 VAL 11 HG13 VAL 11 -1.810 -17.801 4.773
102 HG21 VAL 11 HG21 VAL 11 -3.462 -18.065 2.125
103 HG22 VAL 11 HG22 VAL 11 -4.054 -17.708 3.747
104 HG23 VAL 11 HG23 VAL 11 -4.691 -19.093 2.860
105 H LEU 12 HN LEU 12 -3.217 -21.299 0.419
106 HA LEU 12 HA LEU 12 -1.476 -19.545 -1.153
107 HB2 LEU 12 HB2 LEU 12 -2.262 -20.935 -3.081
108 HB3 LEU 12 HB1 LEU 12 -1.386 -21.821 -1.848
109 HG LEU 12 HG LEU 12 -3.948 -22.182 -1.007
110 HD11 LEU 12 HD11 LEU 12 -5.300 -22.771 -2.946
111 HD12 LEU 12 HD12 LEU 12 -4.036 -22.173 -4.020
112 HD13 LEU 12 HD13 LEU 12 -4.889 -21.056 -2.954
113 HD21 LEU 12 HD21 LEU 12 -2.514 -23.895 -3.026
114 HD22 LEU 12 HD22 LEU 12 -3.738 -24.416 -1.868
115 HD23 LEU 12 HD23 LEU 12 -2.162 -23.865 -1.299
116 H VAL 13 HN VAL 13 -4.527 -19.514 0.120
117 HA VAL 13 HA VAL 13 -5.899 -18.304 -2.113
118 HB VAL 13 HB VAL 13 -6.772 -18.546 0.766
119 HG11 VAL 13 HG11 VAL 13 -8.390 -17.929 -1.705
120 HG12 VAL 13 HG12 VAL 13 -7.947 -16.768 -0.453
121 HG13 VAL 13 HG13 VAL 13 -9.020 -18.114 -0.069
122 HG21 VAL 13 HG21 VAL 13 -7.581 -20.248 -1.584
123 HG22 VAL 13 HG22 VAL 13 -8.016 -20.481 0.111
124 HG23 VAL 13 HG23 VAL 13 -6.347 -20.707 -0.410
125 H GLY 14 HN GLY 14 -5.434 -16.291 -2.689
126 HA2 GLY 14 HA2 GLY 14 -5.551 -13.977 -2.437
127 HA3 GLY 14 HA1 GLY 14 -5.595 -14.186 -0.693
128 H LYS 15 HN LYS 15 -3.598 -14.676 0.403
129 HA LYS 15 HA LYS 15 -1.438 -14.229 0.933
130 HB2 LYS 15 HB2 LYS 15 -1.015 -14.706 -2.018
131 HB3 LYS 15 HB1 LYS 15 0.289 -14.478 -0.868
132 HG2 LYS 15 HG2 LYS 15 -0.991 -16.472 0.350
133 HG3 LYS 15 HG1 LYS 15 -1.465 -16.808 -1.314
134 HD2 LYS 15 HD2 LYS 15 1.345 -16.546 -0.255
135 HD3 LYS 15 HD1 LYS 15 0.551 -18.028 -0.797
136 HE2 LYS 15 HE2 LYS 15 0.517 -17.278 -3.052
137 HE3 LYS 15 HE1 LYS 15 0.973 -15.639 -2.587
138 HZ1 LYS 15 HZ1 LYS 15 3.124 -16.552 -1.819
139 HZ2 LYS 15 HZ2 LYS 15 2.869 -16.738 -3.485
140 HZ3 LYS 15 HZ3 LYS 15 2.681 -18.065 -2.453
141 H ALA 16 HN ALA 16 -3.264 -12.090 0.216
142 HA ALA 16 HA ALA 16 -2.069 -10.082 -1.324
143 HB1 ALA 16 HB1 ALA 16 -3.899 -9.695 1.037
144 HB2 ALA 16 HB2 ALA 16 -4.432 -10.116 -0.592
145 HB3 ALA 16 HB3 ALA 16 -3.626 -8.576 -0.299
146 H TRP 17 HN TRP 17 -1.723 -10.919 2.071
147 HA TRP 17 HA TRP 17 -0.214 -8.625 2.809
148 HB2 TRP 17 HB2 TRP 17 -0.959 -11.183 4.058
149 HB3 TRP 17 HB1 TRP 17 0.604 -10.565 4.571
150 HD1 TRP 17 HD1 TRP 17 -3.120 -9.805 4.782
151 HE1 TRP 17 HE1 TRP 17 -3.495 -8.004 6.579
152 HE3 TRP 17 HE3 TRP 17 1.751 -8.574 5.706
153 HZ2 TRP 17 HZ2 TRP 17 -1.920 -6.286 8.177
154 HZ3 TRP 17 HZ3 TRP 17 2.234 -6.845 7.380
155 HH2 TRP 17 HH2 TRP 17 0.432 -5.721 8.592
156 H GLU 18 HN GLU 18 0.631 -11.848 1.702
157 HA GLU 18 HA GLU 18 3.421 -11.607 2.073
158 HB2 GLU 18 HB2 GLU 18 2.118 -13.746 1.815
159 HB3 GLU 18 HB1 GLU 18 1.996 -13.388 0.100
160 HG2 GLU 18 HG2 GLU 18 4.363 -13.556 -0.175
161 HG3 GLU 18 HG1 GLU 18 4.602 -13.682 1.567
162 H ILE 19 HN ILE 19 1.338 -11.159 -0.776
163 HA ILE 19 HA ILE 19 3.512 -10.561 -2.521
164 HB ILE 19 HB ILE 19 1.246 -11.388 -3.265
165 HG12 ILE 19 HG12 ILE 19 1.200 -9.959 -5.325
166 HG13 ILE 19 HG11 ILE 19 2.390 -8.910 -4.565
167 HG21 ILE 19 HG21 ILE 19 0.435 -8.512 -2.911
168 HG22 ILE 19 HG22 ILE 19 -0.109 -9.858 -1.910
169 HG23 ILE 19 HG23 ILE 19 -0.538 -9.796 -3.621
170 HD11 ILE 19 HD11 ILE 19 3.372 -10.513 -6.150
171 HD12 ILE 19 HD12 ILE 19 2.800 -11.834 -5.130
172 HD13 ILE 19 HD13 ILE 19 3.995 -10.695 -4.511
173 H ARG 20 HN ARG 20 1.550 -8.677 -0.355
174 HA ARG 20 HA ARG 20 2.269 -6.137 -1.471
175 HB2 ARG 20 HB2 ARG 20 0.374 -6.988 0.361
176 HB3 ARG 20 HB1 ARG 20 1.526 -6.117 1.363
177 HG2 ARG 20 HG2 ARG 20 0.254 -4.974 -1.114
178 HG3 ARG 20 HG1 ARG 20 -0.369 -4.746 0.521
179 HD2 ARG 20 HD2 ARG 20 1.650 -3.622 1.188
180 HD3 ARG 20 HD1 ARG 20 2.404 -3.976 -0.366
181 HE ARG 20 HE ARG 20 -0.036 -2.475 -0.595
182 HH11 ARG 20 HH11 ARG 20 3.414 -2.256 -0.050
183 HH12 ARG 20 HH12 ARG 20 3.529 -0.623 -0.620
184 HH21 ARG 20 HH21 ARG 20 0.121 -0.322 -1.362
185 HH22 ARG 20 HH22 ARG 20 1.665 0.475 -1.366
186 H ALA 21 HN ALA 21 3.426 -8.147 1.174
187 HA ALA 21 HA ALA 21 5.311 -6.271 2.171
188 HB1 ALA 21 HB1 ALA 21 4.328 -8.341 3.344
189 HB2 ALA 21 HB2 ALA 21 6.033 -7.973 3.607
190 HB3 ALA 21 HB3 ALA 21 5.572 -9.248 2.481
191 H LYS 22 HN LYS 22 5.571 -9.042 -0.032
192 HA LYS 22 HA LYS 22 8.366 -8.823 -0.379
193 HB2 LYS 22 HB2 LYS 22 6.890 -10.818 -0.909
194 HB3 LYS 22 HB1 LYS 22 6.430 -9.979 -2.383
195 HG2 LYS 22 HG2 LYS 22 8.159 -11.552 -2.891
196 HG3 LYS 22 HG1 LYS 22 8.813 -9.919 -3.042
197 HD2 LYS 22 HD2 LYS 22 9.681 -10.192 -0.678
198 HD3 LYS 22 HD1 LYS 22 9.245 -11.897 -0.810
199 HE2 LYS 22 HE2 LYS 22 11.122 -10.432 -2.667
200 HE3 LYS 22 HE1 LYS 22 11.623 -11.451 -1.320
201 HZ1 LYS 22 HZ1 LYS 22 11.694 -12.657 -3.404
202 HZ2 LYS 22 HZ2 LYS 22 10.056 -12.344 -3.670
203 HZ3 LYS 22 HZ3 LYS 22 10.528 -13.322 -2.379
204 H LEU 23 HN LEU 23 5.639 -7.339 -2.007
205 HA LEU 23 HA LEU 23 7.126 -6.329 -4.213
206 HB2 LEU 23 HB2 LEU 23 4.405 -6.326 -3.423
207 HB3 LEU 23 HB1 LEU 23 4.874 -4.649 -3.630
208 HG LEU 23 HG LEU 23 5.710 -5.229 -5.917
209 HD11 LEU 23 HD11 LEU 23 6.056 -7.614 -5.618
210 HD12 LEU 23 HD12 LEU 23 4.912 -7.319 -6.927
211 HD13 LEU 23 HD13 LEU 23 4.330 -7.850 -5.349
212 HD21 LEU 23 HD21 LEU 23 3.554 -4.180 -5.627
213 HD22 LEU 23 HD22 LEU 23 2.802 -5.745 -5.317
214 HD23 LEU 23 HD23 LEU 23 3.462 -5.383 -6.913
215 H LYS 24 HN LYS 24 6.170 -4.912 -1.087
216 HA LYS 24 HA LYS 24 7.417 -2.403 -1.759
217 HB2 LYS 24 HB2 LYS 24 6.796 -1.649 0.408
218 HB3 LYS 24 HB1 LYS 24 5.460 -2.606 -0.207
219 HG2 LYS 24 HG2 LYS 24 6.127 -4.479 1.173
220 HG3 LYS 24 HG1 LYS 24 7.529 -3.575 1.752
221 HD2 LYS 24 HD2 LYS 24 5.899 -1.828 2.577
222 HD3 LYS 24 HD1 LYS 24 4.616 -2.987 2.233
223 HE2 LYS 24 HE2 LYS 24 5.491 -4.538 3.812
224 HE3 LYS 24 HE1 LYS 24 6.962 -3.588 4.017
225 HZ1 LYS 24 HZ1 LYS 24 5.526 -3.208 5.867
226 HZ2 LYS 24 HZ2 LYS 24 4.223 -2.821 4.863
227 HZ3 LYS 24 HZ3 LYS 24 5.561 -1.793 4.940
228 H GLU 25 HN GLU 25 8.533 -5.383 -0.737
229 HA GLU 25 HA GLU 25 10.763 -4.464 0.814
230 HB2 GLU 25 HB2 GLU 25 9.720 -7.066 -0.078
231 HB3 GLU 25 HB1 GLU 25 11.470 -6.984 0.031
232 HG2 GLU 25 HG2 GLU 25 10.366 -5.819 2.376
233 HG3 GLU 25 HG1 GLU 25 9.598 -7.383 2.101
234 H TYR 26 HN TYR 26 10.276 -5.583 -2.504
235 HA TYR 26 HA TYR 26 13.070 -4.969 -3.116
236 HB2 TYR 26 HB2 TYR 26 11.364 -6.979 -3.961
237 HB3 TYR 26 HB1 TYR 26 11.425 -5.885 -5.340
238 HD1 TYR 26 HD1 TYR 26 13.651 -5.322 -6.350
239 HD2 TYR 26 HD2 TYR 26 13.190 -8.387 -3.440
240 HE1 TYR 26 HE1 TYR 26 15.835 -6.252 -6.991
241 HE2 TYR 26 HE2 TYR 26 15.365 -9.330 -4.076
242 HH TYR 26 HH TYR 26 17.603 -7.662 -6.014
243 H GLY 27 HN GLY 27 9.819 -3.841 -3.744
244 HA2 GLY 27 HA2 GLY 27 10.949 -1.737 -5.487
245 HA3 GLY 27 HA1 GLY 27 9.303 -2.341 -5.618
246 H ARG 28 HN ARG 28 11.296 -1.247 -2.903
247 HA ARG 28 HA ARG 28 9.147 0.030 -1.595
248 HB2 ARG 28 HB2 ARG 28 11.444 -0.807 -0.680
249 HB3 ARG 28 HB1 ARG 28 12.015 0.793 -1.135
250 HG2 ARG 28 HG2 ARG 28 10.619 1.856 0.405
251 HG3 ARG 28 HG1 ARG 28 9.616 0.421 0.623
252 HD2 ARG 28 HD2 ARG 28 11.580 -0.726 1.619
253 HD3 ARG 28 HD1 ARG 28 12.470 0.791 1.519
254 HE ARG 28 HE ARG 28 10.509 1.653 2.951
255 HH11 ARG 28 HH11 ARG 28 11.925 -1.536 3.149
256 HH12 ARG 28 HH12 ARG 28 11.545 -1.741 4.831
257 HH21 ARG 28 HH21 ARG 28 9.995 1.385 5.169
258 HH22 ARG 28 HH22 ARG 28 10.441 -0.090 5.972
259 H THR 29 HN THR 29 11.974 1.420 -3.265
260 HA THR 29 HA THR 29 10.415 3.893 -3.618
261 HB THR 29 HB THR 29 12.412 4.238 -2.264
262 HG1 THR 29 HG1 THR 29 12.355 5.332 -4.877
263 HG21 THR 29 HG21 THR 29 13.820 2.442 -3.015
264 HG22 THR 29 HG22 THR 29 14.659 3.964 -3.304
265 HG23 THR 29 HG23 THR 29 13.888 3.115 -4.642
266 H PHE 30 HN PHE 30 11.438 1.218 -5.285
267 HA PHE 30 HA PHE 30 12.405 2.334 -7.695
268 HB2 PHE 30 HB2 PHE 30 11.307 -0.320 -6.893
269 HB3 PHE 30 HB1 PHE 30 11.446 0.042 -8.610
270 HD1 PHE 30 HD1 PHE 30 13.670 0.555 -9.575
271 HD2 PHE 30 HD2 PHE 30 13.197 -0.829 -5.581
272 HE1 PHE 30 HE1 PHE 30 16.050 -0.056 -9.508
273 HE2 PHE 30 HE2 PHE 30 15.580 -1.429 -5.499
274 HZ PHE 30 HZ PHE 30 17.009 -1.044 -7.467
275 H GLN 31 HN GLN 31 9.221 2.011 -6.405
276 HA GLN 31 HA GLN 31 7.722 2.083 -8.774
277 HB2 GLN 31 HB2 GLN 31 5.925 3.081 -7.287
278 HB3 GLN 31 HB1 GLN 31 6.575 1.530 -6.781
279 HG2 GLN 31 HG2 GLN 31 7.923 2.577 -5.096
280 HG3 GLN 31 HG1 GLN 31 7.467 4.180 -5.669
281 HE21 GLN 31 HE21 GLN 31 7.172 2.965 -3.039
282 HE22 GLN 31 HE22 GLN 31 5.483 3.038 -2.670
283 H TYR 32 HN TYR 32 9.309 4.614 -6.944
284 HA TYR 32 HA TYR 32 8.003 6.770 -8.287
285 HB2 TYR 32 HB2 TYR 32 10.384 6.581 -6.465
286 HB3 TYR 32 HB1 TYR 32 9.973 8.093 -7.271
287 HD1 TYR 32 HD2 TYR 32 7.940 9.304 -6.689
288 HD2 TYR 32 HD1 TYR 32 8.980 5.686 -4.707
289 HE1 TYR 32 HE2 TYR 32 6.286 9.796 -4.935
290 HE2 TYR 32 HE1 TYR 32 7.330 6.166 -2.947
291 HH TYR 32 HH TYR 32 6.138 8.057 -1.990
292 H VAL 33 HN VAL 33 11.150 5.163 -8.654
293 HA VAL 33 HA VAL 33 12.028 6.901 -10.737
294 HB VAL 33 HB VAL 33 13.513 5.474 -9.231
295 HG11 VAL 33 HG11 VAL 33 12.818 3.337 -11.240
296 HG12 VAL 33 HG12 VAL 33 12.358 3.340 -9.539
297 HG13 VAL 33 HG13 VAL 33 14.059 3.228 -9.993
298 HG21 VAL 33 HG21 VAL 33 13.989 5.402 -12.206
299 HG22 VAL 33 HG22 VAL 33 15.220 5.178 -10.964
300 HG23 VAL 33 HG23 VAL 33 14.390 6.728 -11.115
301 H LYS 34 HN LYS 34 9.934 4.216 -10.624
302 HA LYS 34 HA LYS 34 10.201 3.557 -13.434
303 HB2 LYS 34 HB2 LYS 34 9.792 1.743 -11.898
304 HB3 LYS 34 HB1 LYS 34 8.379 2.552 -11.245
305 HG2 LYS 34 HG2 LYS 34 7.222 2.267 -13.372
306 HG3 LYS 34 HG1 LYS 34 8.646 1.468 -14.042
307 HD2 LYS 34 HD2 LYS 34 8.428 -0.364 -12.555
308 HD3 LYS 34 HD1 LYS 34 7.233 0.484 -11.573
309 HE2 LYS 34 HE2 LYS 34 5.675 0.438 -13.474
310 HE3 LYS 34 HE1 LYS 34 6.866 -0.465 -14.411
311 HZ1 LYS 34 HZ1 LYS 34 5.178 -1.899 -13.390
312 HZ2 LYS 34 HZ2 LYS 34 5.662 -1.386 -11.856
313 HZ3 LYS 34 HZ3 LYS 34 6.730 -2.262 -12.829
314 H ASP 35 HN ASP 35 8.101 5.342 -11.302
315 HA ASP 35 HA ASP 35 6.029 5.744 -13.257
316 HB2 ASP 35 HB2 ASP 35 5.645 5.658 -10.776
317 HB3 ASP 35 HB1 ASP 35 6.479 7.201 -10.652
318 H TRP 36 HN TRP 36 8.778 7.560 -11.996
319 HA TRP 36 HA TRP 36 8.139 9.983 -13.375
320 HB2 TRP 36 HB2 TRP 36 10.160 9.069 -11.533
321 HB3 TRP 36 HB1 TRP 36 10.906 9.949 -12.862
322 HD1 TRP 36 HD1 TRP 36 9.499 10.563 -9.573
323 HE1 TRP 36 HE1 TRP 36 8.869 13.041 -9.271
324 HE3 TRP 36 HE3 TRP 36 9.645 12.046 -14.466
325 HZ2 TRP 36 HZ2 TRP 36 8.485 15.313 -10.884
326 HZ3 TRP 36 HZ3 TRP 36 9.129 14.393 -15.003
327 HH2 TRP 36 HH2 TRP 36 8.561 15.991 -13.246
328 H ILE 37 HN ILE 37 8.512 10.509 -15.424
329 HA ILE 37 HA ILE 37 10.416 8.873 -16.947
330 HB ILE 37 HB ILE 37 8.008 8.306 -17.428
331 HG12 ILE 37 HG12 ILE 37 9.076 9.402 -19.972
332 HG13 ILE 37 HG11 ILE 37 10.132 8.315 -19.076
333 HG21 ILE 37 HG21 ILE 37 7.059 10.540 -17.253
334 HG22 ILE 37 HG22 ILE 37 6.712 9.833 -18.831
335 HG23 ILE 37 HG23 ILE 37 7.973 11.054 -18.670
336 HD11 ILE 37 HD11 ILE 37 7.342 7.701 -20.028
337 HD12 ILE 37 HD12 ILE 37 8.365 6.615 -19.089
338 HD13 ILE 37 HD13 ILE 37 8.847 7.091 -20.716
339 H SER 38 HN SER 38 11.673 9.927 -18.460
340 HA SER 38 HA SER 38 11.254 12.789 -18.867
341 HB2 SER 38 HB2 SER 38 13.933 11.677 -18.008
342 HB3 SER 38 HB1 SER 38 13.523 13.370 -18.279
343 HG SER 38 HG SER 38 11.787 12.451 -16.526
344 H LYS 39 HN LYS 39 13.238 9.944 -19.650
345 HA LYS 39 HA LYS 39 13.119 10.743 -22.464
346 HB2 LYS 39 HB2 LYS 39 15.297 11.464 -21.434
347 HB3 LYS 39 HB1 LYS 39 15.650 9.772 -21.136
348 HG2 LYS 39 HG2 LYS 39 15.762 9.288 -23.449
349 HG3 LYS 39 HG1 LYS 39 15.081 10.857 -23.874
350 HD2 LYS 39 HD2 LYS 39 17.715 10.506 -22.455
351 HD3 LYS 39 HD1 LYS 39 17.556 10.671 -24.204
352 HE2 LYS 39 HE2 LYS 39 16.381 12.843 -23.815
353 HE3 LYS 39 HE1 LYS 39 16.772 12.688 -22.104
354 HZ1 LYS 39 HZ1 LYS 39 18.361 14.080 -23.256
355 HZ2 LYS 39 HZ2 LYS 39 18.737 12.829 -24.322
356 HZ3 LYS 39 HZ3 LYS 39 19.117 12.681 -22.680
357 HA PRO 40 HA PRO 40 11.815 6.361 -22.009
358 HB2 PRO 40 HB2 PRO 40 10.435 7.007 -24.530
359 HB3 PRO 40 HB1 PRO 40 9.781 6.332 -23.034
360 HG2 PRO 40 HG2 PRO 40 9.264 8.857 -23.803
361 HG3 PRO 40 HG1 PRO 40 9.431 8.412 -22.098
362 HD2 PRO 40 HD2 PRO 40 11.377 9.780 -23.900
363 HD3 PRO 40 HD1 PRO 40 11.029 10.075 -22.184
Start of MODEL 19
1 H1 MET 1 HT1 MET 1 5.245 -34.963 23.276
2 H2 MET 1 HT2 MET 1 4.463 -33.632 22.589
3 H3 MET 1 HT3 MET 1 6.107 -33.545 22.967
4 HA MET 1 HA MET 1 5.687 -33.833 20.582
5 HB2 MET 1 HB2 MET 1 7.654 -34.898 22.083
6 HB3 MET 1 HB1 MET 1 6.978 -36.376 21.412
7 HG2 MET 1 HG2 MET 1 7.242 -35.364 19.143
8 HG3 MET 1 HG1 MET 1 8.115 -34.035 19.906
9 HE1 MET 1 HE1 MET 1 9.325 -35.686 17.546
10 HE2 MET 1 HE2 MET 1 10.960 -36.033 18.110
11 HE3 MET 1 HE3 MET 1 10.253 -34.437 18.369
12 H LYS 2 HN LYS 2 5.538 -35.856 19.008
13 HA LYS 2 HA LYS 2 4.203 -37.373 17.986
14 HB2 LYS 2 HB2 LYS 2 3.793 -38.209 20.850
15 HB3 LYS 2 HB1 LYS 2 3.020 -39.054 19.518
16 HG2 LYS 2 HG2 LYS 2 5.312 -39.401 18.549
17 HG3 LYS 2 HG1 LYS 2 5.961 -38.785 20.070
18 HD2 LYS 2 HD2 LYS 2 4.775 -40.562 21.281
19 HD3 LYS 2 HD1 LYS 2 4.154 -41.180 19.750
20 HE2 LYS 2 HE2 LYS 2 6.437 -41.618 18.997
21 HE3 LYS 2 HE1 LYS 2 7.067 -40.981 20.516
22 HZ1 LYS 2 HZ1 LYS 2 5.786 -42.771 21.651
23 HZ2 LYS 2 HZ2 LYS 2 7.032 -43.339 20.662
24 HZ3 LYS 2 HZ3 LYS 2 5.428 -43.427 20.135
25 H VAL 3 HN VAL 3 3.203 -34.852 18.254
26 HA VAL 3 HA VAL 3 0.441 -35.021 19.126
27 HB VAL 3 HB VAL 3 0.290 -32.661 18.431
28 HG11 VAL 3 HG11 VAL 3 1.047 -33.210 20.685
29 HG12 VAL 3 HG12 VAL 3 1.817 -31.739 20.089
30 HG13 VAL 3 HG13 VAL 3 2.716 -33.254 20.118
31 HG21 VAL 3 HG21 VAL 3 1.730 -32.549 16.553
32 HG22 VAL 3 HG22 VAL 3 3.110 -33.118 17.490
33 HG23 VAL 3 HG23 VAL 3 2.444 -31.514 17.791
34 H HIS 4 HN HIS 4 -1.013 -33.646 17.406
35 HA HIS 4 HA HIS 4 -1.507 -35.452 15.292
36 HB2 HIS 4 HB2 HIS 4 -3.272 -33.959 14.625
37 HB3 HIS 4 HB1 HIS 4 -3.245 -34.013 16.379
38 HD1 HIS 4 HD1 HIS 4 -2.450 -31.838 17.613
39 HD2 HIS 4 HD2 HIS 4 -2.801 -31.478 13.491
40 HE1 HIS 4 HE1 HIS 4 -2.357 -29.375 17.138
41 HE2 HIS 4 HE2 HIS 4 -2.768 -29.181 14.663
42 H ARG 5 HN ARG 5 -1.583 -34.896 12.996
43 HA ARG 5 HA ARG 5 0.912 -34.113 12.015
44 HB2 ARG 5 HB2 ARG 5 -0.490 -35.561 10.711
45 HB3 ARG 5 HB1 ARG 5 -1.767 -34.355 10.648
46 HG2 ARG 5 HG2 ARG 5 -0.863 -34.101 8.571
47 HG3 ARG 5 HG1 ARG 5 0.088 -32.918 9.469
48 HD2 ARG 5 HD2 ARG 5 1.872 -34.572 9.741
49 HD3 ARG 5 HD1 ARG 5 0.921 -35.749 8.834
50 HE ARG 5 HE ARG 5 2.396 -33.483 7.774
51 HH11 ARG 5 HH11 ARG 5 -0.041 -35.926 7.158
52 HH12 ARG 5 HH12 ARG 5 0.145 -35.859 5.438
53 HH21 ARG 5 HH21 ARG 5 2.634 -33.390 5.500
54 HH22 ARG 5 HH22 ARG 5 1.667 -34.421 4.494
55 H MET 6 HN MET 6 1.788 -32.194 11.762
56 HA MET 6 HA MET 6 2.118 -29.970 11.466
57 HB2 MET 6 HB2 MET 6 -0.643 -30.150 10.267
58 HB3 MET 6 HB1 MET 6 0.268 -28.648 10.330
59 HG2 MET 6 HG2 MET 6 2.010 -29.605 8.965
60 HG3 MET 6 HG1 MET 6 1.199 -31.169 8.979
61 HE1 MET 6 HE1 MET 6 0.740 -30.024 5.274
62 HE2 MET 6 HE2 MET 6 1.195 -31.372 6.319
63 HE3 MET 6 HE3 MET 6 2.146 -29.885 6.326
64 HA PRO 7 HA PRO 7 -0.094 -29.151 15.463
65 HB2 PRO 7 HB2 PRO 7 2.170 -28.271 16.733
66 HB3 PRO 7 HB1 PRO 7 1.621 -29.948 16.746
67 HG2 PRO 7 HG2 PRO 7 3.734 -28.659 15.077
68 HG3 PRO 7 HG1 PRO 7 3.720 -30.263 15.831
69 HD2 PRO 7 HD2 PRO 7 3.230 -29.885 13.197
70 HD3 PRO 7 HD1 PRO 7 2.473 -31.191 14.131
71 H LYS 8 HN LYS 8 2.520 -27.308 13.946
72 HA LYS 8 HA LYS 8 0.876 -24.942 13.775
73 HB2 LYS 8 HB2 LYS 8 2.686 -25.247 15.951
74 HB3 LYS 8 HB1 LYS 8 3.381 -24.065 14.850
75 HG2 LYS 8 HG2 LYS 8 1.044 -22.985 14.896
76 HG3 LYS 8 HG1 LYS 8 0.799 -23.955 16.349
77 HD2 LYS 8 HD2 LYS 8 2.783 -22.938 17.366
78 HD3 LYS 8 HD1 LYS 8 3.036 -21.975 15.908
79 HE2 LYS 8 HE2 LYS 8 0.609 -21.164 16.341
80 HE3 LYS 8 HE1 LYS 8 0.889 -21.753 17.979
81 HZ1 LYS 8 HZ1 LYS 8 2.791 -20.295 18.158
82 HZ2 LYS 8 HZ2 LYS 8 1.418 -19.400 17.748
83 HZ3 LYS 8 HZ3 LYS 8 2.576 -19.755 16.570
84 H GLY 9 HN GLY 9 2.587 -23.094 12.923
85 HA2 GLY 9 HA2 GLY 9 4.482 -22.751 11.474
86 HA3 GLY 9 HA1 GLY 9 4.294 -24.406 10.910
87 H VAL 10 HN VAL 10 1.333 -22.869 11.243
88 HA VAL 10 HA VAL 10 0.977 -22.770 8.379
89 HB VAL 10 HB VAL 10 -0.972 -22.068 10.588
90 HG11 VAL 10 HG11 VAL 10 -2.649 -22.551 8.739
91 HG12 VAL 10 HG12 VAL 10 -1.292 -22.395 7.621
92 HG13 VAL 10 HG13 VAL 10 -1.758 -21.032 8.638
93 HG21 VAL 10 HG21 VAL 10 -0.630 -24.635 9.032
94 HG22 VAL 10 HG22 VAL 10 -1.944 -24.288 10.155
95 HG23 VAL 10 HG23 VAL 10 -0.288 -24.395 10.746
96 H VAL 11 HN VAL 11 1.947 -21.055 7.451
97 HA VAL 11 HA VAL 11 1.362 -18.398 8.580
98 HB VAL 11 HB VAL 11 3.431 -17.614 7.447
99 HG11 VAL 11 HG11 VAL 11 4.997 -18.666 9.049
100 HG12 VAL 11 HG12 VAL 11 3.743 -19.837 9.461
101 HG13 VAL 11 HG13 VAL 11 3.499 -18.122 9.800
102 HG21 VAL 11 HG21 VAL 11 3.626 -19.311 5.728
103 HG22 VAL 11 HG22 VAL 11 3.865 -20.559 6.952
104 HG23 VAL 11 HG23 VAL 11 5.077 -19.299 6.727
105 H LEU 12 HN LEU 12 0.554 -20.410 6.102
106 HA LEU 12 HA LEU 12 0.514 -18.447 3.980
107 HB2 LEU 12 HB2 LEU 12 -0.154 -21.322 4.240
108 HB3 LEU 12 HB1 LEU 12 -1.053 -20.427 3.033
109 HG LEU 12 HG LEU 12 0.853 -21.503 2.000
110 HD11 LEU 12 HD11 LEU 12 1.444 -18.555 2.220
111 HD12 LEU 12 HD12 LEU 12 0.132 -19.220 1.245
112 HD13 LEU 12 HD13 LEU 12 1.808 -19.628 0.871
113 HD21 LEU 12 HD21 LEU 12 2.597 -19.899 3.866
114 HD22 LEU 12 HD22 LEU 12 3.130 -21.038 2.630
115 HD23 LEU 12 HD23 LEU 12 2.255 -21.621 4.047
116 H VAL 13 HN VAL 13 -0.722 -17.077 5.672
117 HA VAL 13 HA VAL 13 -3.608 -17.393 5.135
118 HB VAL 13 HB VAL 13 -2.394 -16.219 7.650
119 HG11 VAL 13 HG11 VAL 13 -4.743 -16.336 8.469
120 HG12 VAL 13 HG12 VAL 13 -5.242 -16.747 6.831
121 HG13 VAL 13 HG13 VAL 13 -4.494 -15.183 7.154
122 HG21 VAL 13 HG21 VAL 13 -3.230 -18.205 8.801
123 HG22 VAL 13 HG22 VAL 13 -2.063 -18.649 7.556
124 HG23 VAL 13 HG23 VAL 13 -3.787 -18.871 7.266
125 H GLY 14 HN GLY 14 -3.958 -15.918 3.572
126 HA2 GLY 14 HA2 GLY 14 -4.483 -13.698 2.970
127 HA3 GLY 14 HA1 GLY 14 -3.386 -13.125 4.217
128 H LYS 15 HN LYS 15 -3.592 -14.489 0.993
129 HA LYS 15 HA LYS 15 -0.851 -14.430 0.345
130 HB2 LYS 15 HB2 LYS 15 -3.308 -14.218 -1.404
131 HB3 LYS 15 HB1 LYS 15 -1.676 -14.405 -2.024
132 HG2 LYS 15 HG2 LYS 15 -2.481 -16.396 -0.029
133 HG3 LYS 15 HG1 LYS 15 -3.374 -16.445 -1.548
134 HD2 LYS 15 HD2 LYS 15 -1.110 -16.399 -2.701
135 HD3 LYS 15 HD1 LYS 15 -0.416 -16.737 -1.115
136 HE2 LYS 15 HE2 LYS 15 -0.740 -18.782 -2.417
137 HE3 LYS 15 HE1 LYS 15 -1.724 -18.782 -0.955
138 HZ1 LYS 15 HZ1 LYS 15 -2.878 -19.559 -3.004
139 HZ2 LYS 15 HZ2 LYS 15 -2.755 -17.991 -3.621
140 HZ3 LYS 15 HZ3 LYS 15 -3.650 -18.276 -2.217
141 H ALA 16 HN ALA 16 -3.356 -11.997 0.285
142 HA ALA 16 HA ALA 16 -2.112 -10.060 -1.295
143 HB1 ALA 16 HB1 ALA 16 -4.053 -9.756 0.989
144 HB2 ALA 16 HB2 ALA 16 -4.428 -9.849 -0.732
145 HB3 ALA 16 HB3 ALA 16 -3.576 -8.445 -0.090
146 H TRP 17 HN TRP 17 -1.649 -10.916 2.073
147 HA TRP 17 HA TRP 17 -0.137 -8.568 2.703
148 HB2 TRP 17 HB2 TRP 17 -0.546 -11.197 4.111
149 HB3 TRP 17 HB1 TRP 17 0.560 -9.975 4.732
150 HD1 TRP 17 HD1 TRP 17 -3.168 -10.655 4.226
151 HE1 TRP 17 HE1 TRP 17 -4.518 -8.980 5.640
152 HE3 TRP 17 HE3 TRP 17 0.653 -7.640 5.776
153 HZ2 TRP 17 HZ2 TRP 17 -4.022 -6.683 7.210
154 HZ3 TRP 17 HZ3 TRP 17 0.133 -5.731 7.230
155 HH2 TRP 17 HH2 TRP 17 -2.158 -5.261 7.933
156 H GLU 18 HN GLU 18 0.596 -11.819 1.654
157 HA GLU 18 HA GLU 18 3.407 -11.667 2.019
158 HB2 GLU 18 HB2 GLU 18 1.782 -13.409 0.152
159 HB3 GLU 18 HB1 GLU 18 3.487 -13.627 0.518
160 HG2 GLU 18 HG2 GLU 18 2.396 -13.605 3.008
161 HG3 GLU 18 HG1 GLU 18 1.123 -14.376 2.059
162 H ILE 19 HN ILE 19 1.312 -11.235 -0.828
163 HA ILE 19 HA ILE 19 3.468 -10.668 -2.589
164 HB ILE 19 HB ILE 19 1.198 -11.460 -3.314
165 HG12 ILE 19 HG12 ILE 19 2.037 -8.922 -4.718
166 HG13 ILE 19 HG11 ILE 19 2.968 -10.413 -4.812
167 HG21 ILE 19 HG21 ILE 19 -0.560 -9.817 -3.683
168 HG22 ILE 19 HG22 ILE 19 0.433 -8.569 -2.927
169 HG23 ILE 19 HG23 ILE 19 -0.153 -9.930 -1.971
170 HD11 ILE 19 HD11 ILE 19 0.118 -10.055 -5.707
171 HD12 ILE 19 HD12 ILE 19 1.053 -11.549 -5.801
172 HD13 ILE 19 HD13 ILE 19 1.537 -10.142 -6.751
173 H ARG 20 HN ARG 20 1.556 -8.687 -0.439
174 HA ARG 20 HA ARG 20 2.388 -6.196 -1.578
175 HB2 ARG 20 HB2 ARG 20 0.308 -6.508 -0.212
176 HB3 ARG 20 HB1 ARG 20 1.329 -6.730 1.202
177 HG2 ARG 20 HG2 ARG 20 0.583 -4.503 1.265
178 HG3 ARG 20 HG1 ARG 20 2.263 -4.432 0.736
179 HD2 ARG 20 HD2 ARG 20 1.461 -4.297 -1.608
180 HD3 ARG 20 HD1 ARG 20 -0.193 -4.233 -1.003
181 HE ARG 20 HE ARG 20 1.563 -2.224 0.091
182 HH11 ARG 20 HH11 ARG 20 -0.656 -3.018 -2.496
183 HH12 ARG 20 HH12 ARG 20 -1.021 -1.361 -2.857
184 HH21 ARG 20 HH21 ARG 20 1.104 -0.063 -0.390
185 HH22 ARG 20 HH22 ARG 20 -0.008 0.328 -1.661
186 H ALA 21 HN ALA 21 3.457 -8.218 1.108
187 HA ALA 21 HA ALA 21 5.363 -6.424 2.140
188 HB1 ALA 21 HB1 ALA 21 4.447 -8.449 3.295
189 HB2 ALA 21 HB2 ALA 21 6.196 -8.249 3.416
190 HB3 ALA 21 HB3 ALA 21 5.516 -9.427 2.291
191 H LYS 22 HN LYS 22 5.702 -9.106 -0.183
192 HA LYS 22 HA LYS 22 8.506 -8.807 -0.468
193 HB2 LYS 22 HB2 LYS 22 8.285 -10.266 -2.429
194 HB3 LYS 22 HB1 LYS 22 7.409 -10.899 -1.044
195 HG2 LYS 22 HG2 LYS 22 5.314 -10.159 -1.971
196 HG3 LYS 22 HG1 LYS 22 6.148 -9.380 -3.317
197 HD2 LYS 22 HD2 LYS 22 6.308 -12.334 -2.732
198 HD3 LYS 22 HD1 LYS 22 5.149 -11.615 -3.854
199 HE2 LYS 22 HE2 LYS 22 6.968 -10.749 -5.216
200 HE3 LYS 22 HE1 LYS 22 8.152 -11.369 -4.064
201 HZ1 LYS 22 HZ1 LYS 22 7.905 -12.810 -5.992
202 HZ2 LYS 22 HZ2 LYS 22 6.267 -13.036 -5.645
203 HZ3 LYS 22 HZ3 LYS 22 7.445 -13.609 -4.579
204 H LEU 23 HN LEU 23 5.764 -7.393 -2.180
205 HA LEU 23 HA LEU 23 7.366 -6.255 -4.253
206 HB2 LEU 23 HB2 LEU 23 4.542 -6.251 -3.526
207 HB3 LEU 23 HB1 LEU 23 5.085 -4.697 -4.125
208 HG LEU 23 HG LEU 23 5.944 -5.820 -6.165
209 HD11 LEU 23 HD11 LEU 23 6.295 -8.047 -5.259
210 HD12 LEU 23 HD12 LEU 23 5.210 -8.106 -6.648
211 HD13 LEU 23 HD13 LEU 23 4.558 -8.240 -5.015
212 HD21 LEU 23 HD21 LEU 23 3.700 -4.777 -6.049
213 HD22 LEU 23 HD22 LEU 23 3.026 -6.352 -5.636
214 HD23 LEU 23 HD23 LEU 23 3.796 -6.108 -7.201
215 H LYS 24 HN LYS 24 6.269 -5.199 -1.103
216 HA LYS 24 HA LYS 24 7.014 -2.474 -1.434
217 HB2 LYS 24 HB2 LYS 24 5.420 -3.480 0.311
218 HB3 LYS 24 HB1 LYS 24 6.870 -3.923 1.200
219 HG2 LYS 24 HG2 LYS 24 7.420 -1.351 0.815
220 HG3 LYS 24 HG1 LYS 24 5.660 -1.259 0.748
221 HD2 LYS 24 HD2 LYS 24 7.300 -2.428 2.996
222 HD3 LYS 24 HD1 LYS 24 6.462 -0.879 3.019
223 HE2 LYS 24 HE2 LYS 24 4.319 -2.016 2.781
224 HE3 LYS 24 HE1 LYS 24 5.141 -3.572 2.721
225 HZ1 LYS 24 HZ1 LYS 24 4.380 -3.306 4.909
226 HZ2 LYS 24 HZ2 LYS 24 4.940 -1.717 5.015
227 HZ3 LYS 24 HZ3 LYS 24 6.039 -3.001 4.983
228 H GLU 25 HN GLU 25 8.604 -5.329 -0.123
229 HA GLU 25 HA GLU 25 10.906 -4.023 0.865
230 HB2 GLU 25 HB2 GLU 25 10.301 -6.236 1.637
231 HB3 GLU 25 HB1 GLU 25 10.448 -6.886 0.011
232 HG2 GLU 25 HG2 GLU 25 12.901 -5.615 0.816
233 HG3 GLU 25 HG1 GLU 25 12.395 -6.819 2.001
234 H TYR 26 HN TYR 26 10.248 -5.688 -2.207
235 HA TYR 26 HA TYR 26 12.861 -5.204 -3.252
236 HB2 TYR 26 HB2 TYR 26 11.220 -7.024 -3.977
237 HB3 TYR 26 HB1 TYR 26 10.400 -5.768 -4.900
238 HD1 TYR 26 HD1 TYR 26 13.821 -7.193 -4.416
239 HD2 TYR 26 HD2 TYR 26 11.027 -5.438 -7.103
240 HE1 TYR 26 HE1 TYR 26 15.401 -7.529 -6.268
241 HE2 TYR 26 HE2 TYR 26 12.602 -5.768 -8.966
242 HH TYR 26 HH TYR 26 15.017 -6.042 -9.300
243 H GLY 27 HN GLY 27 9.948 -3.384 -3.102
244 HA2 GLY 27 HA2 GLY 27 10.825 -1.517 -5.161
245 HA3 GLY 27 HA1 GLY 27 9.281 -1.494 -4.324
246 H ARG 28 HN ARG 28 11.987 -1.898 -2.292
247 HA ARG 28 HA ARG 28 11.503 0.616 -1.022
248 HB2 ARG 28 HB2 ARG 28 13.439 -1.632 -0.567
249 HB3 ARG 28 HB1 ARG 28 13.651 -0.107 0.282
250 HG2 ARG 28 HG2 ARG 28 11.492 -0.317 1.308
251 HG3 ARG 28 HG1 ARG 28 11.134 -1.753 0.349
252 HD2 ARG 28 HD2 ARG 28 11.761 -2.494 2.522
253 HD3 ARG 28 HD1 ARG 28 13.098 -2.859 1.437
254 HE ARG 28 HE ARG 28 13.655 -0.382 2.536
255 HH11 ARG 28 HH11 ARG 28 13.165 -3.646 3.732
256 HH12 ARG 28 HH12 ARG 28 14.244 -3.444 5.074
257 HH21 ARG 28 HH21 ARG 28 15.044 -0.126 4.307
258 HH22 ARG 28 HH22 ARG 28 15.277 -1.437 5.425
259 H THR 29 HN THR 29 14.645 -0.634 -2.120
260 HA THR 29 HA THR 29 15.139 1.603 -3.809
261 HB THR 29 HB THR 29 15.567 2.920 -1.932
262 HG1 THR 29 HG1 THR 29 18.121 1.802 -2.526
263 HG21 THR 29 HG21 THR 29 15.469 1.292 -0.182
264 HG22 THR 29 HG22 THR 29 16.992 2.165 -0.025
265 HG23 THR 29 HG23 THR 29 16.974 0.544 -0.719
266 H PHE 30 HN PHE 30 15.689 0.125 -5.333
267 HA PHE 30 HA PHE 30 17.014 -1.230 -6.565
268 HB2 PHE 30 HB2 PHE 30 19.017 -0.112 -4.628
269 HB3 PHE 30 HB1 PHE 30 19.494 -1.334 -5.801
270 HD1 PHE 30 HD2 PHE 30 19.243 -0.847 -8.236
271 HD2 PHE 30 HD1 PHE 30 18.736 2.141 -5.250
272 HE1 PHE 30 HE2 PHE 30 19.542 0.899 -9.943
273 HE2 PHE 30 HE1 PHE 30 19.029 3.893 -6.953
274 HZ PHE 30 HZ PHE 30 19.433 3.274 -9.300
275 H GLN 31 HN GLN 31 18.898 -3.068 -6.108
276 HA GLN 31 HA GLN 31 17.459 -5.022 -4.508
277 HB2 GLN 31 HB2 GLN 31 19.916 -5.457 -6.213
278 HB3 GLN 31 HB1 GLN 31 18.846 -6.691 -5.566
279 HG2 GLN 31 HG2 GLN 31 18.004 -6.621 -7.649
280 HG3 GLN 31 HG1 GLN 31 17.066 -5.289 -6.977
281 HE21 GLN 31 HE21 GLN 31 19.681 -6.186 -9.071
282 HE22 GLN 31 HE22 GLN 31 19.894 -4.635 -9.811
283 H TYR 32 HN TYR 32 19.696 -2.770 -3.892
284 HA TYR 32 HA TYR 32 21.741 -4.085 -2.499
285 HB2 TYR 32 HB2 TYR 32 20.604 -1.310 -2.349
286 HB3 TYR 32 HB1 TYR 32 21.863 -1.825 -1.235
287 HD1 TYR 32 HD2 TYR 32 24.015 -2.826 -2.323
288 HD2 TYR 32 HD1 TYR 32 21.198 -0.415 -4.412
289 HE1 TYR 32 HE2 TYR 32 25.725 -2.284 -4.001
290 HE2 TYR 32 HE1 TYR 32 22.905 0.126 -6.097
291 HH TYR 32 HH TYR 32 25.490 0.215 -6.124
292 H VAL 33 HN VAL 33 18.476 -3.311 -1.592
293 HA VAL 33 HA VAL 33 18.815 -3.603 1.217
294 HB VAL 33 HB VAL 33 16.324 -3.939 -0.469
295 HG11 VAL 33 HG11 VAL 33 15.126 -3.476 1.662
296 HG12 VAL 33 HG12 VAL 33 16.664 -3.634 2.511
297 HG13 VAL 33 HG13 VAL 33 15.986 -5.015 1.647
298 HG21 VAL 33 HG21 VAL 33 17.287 -1.547 1.098
299 HG22 VAL 33 HG22 VAL 33 15.792 -1.659 0.170
300 HG23 VAL 33 HG23 VAL 33 17.349 -1.711 -0.658
301 H LYS 34 HN LYS 34 17.677 -5.777 -1.334
302 HA LYS 34 HA LYS 34 17.279 -8.009 0.375
303 HB2 LYS 34 HB2 LYS 34 16.152 -7.763 -1.809
304 HB3 LYS 34 HB1 LYS 34 17.702 -7.935 -2.621
305 HG2 LYS 34 HG2 LYS 34 16.509 -10.014 -2.735
306 HG3 LYS 34 HG1 LYS 34 17.906 -10.213 -1.677
307 HD2 LYS 34 HD2 LYS 34 16.530 -10.987 -0.104
308 HD3 LYS 34 HD1 LYS 34 15.798 -9.383 -0.022
309 HE2 LYS 34 HE2 LYS 34 14.954 -11.577 -1.910
310 HE3 LYS 34 HE1 LYS 34 14.145 -11.181 -0.394
311 HZ1 LYS 34 HZ1 LYS 34 14.408 -9.434 -2.777
312 HZ2 LYS 34 HZ2 LYS 34 13.772 -8.921 -1.291
313 HZ3 LYS 34 HZ3 LYS 34 12.989 -10.133 -2.180
314 H ASP 35 HN ASP 35 20.010 -6.753 -1.392
315 HA ASP 35 HA ASP 35 21.622 -9.115 -1.147
316 HB2 ASP 35 HB2 ASP 35 21.923 -7.350 -2.914
317 HB3 ASP 35 HB1 ASP 35 22.539 -6.280 -1.660
318 H TRP 36 HN TRP 36 21.158 -6.164 0.670
319 HA TRP 36 HA TRP 36 23.368 -6.381 2.395
320 HB2 TRP 36 HB2 TRP 36 21.430 -4.517 1.961
321 HB3 TRP 36 HB1 TRP 36 20.928 -5.170 3.516
322 HD1 TRP 36 HD1 TRP 36 22.550 -4.745 5.602
323 HE1 TRP 36 HE1 TRP 36 24.431 -3.031 5.988
324 HE3 TRP 36 HE3 TRP 36 23.308 -3.268 0.758
325 HZ2 TRP 36 HZ2 TRP 36 26.023 -1.288 4.444
326 HZ3 TRP 36 HZ3 TRP 36 25.036 -1.573 0.301
327 HH2 TRP 36 HH2 TRP 36 26.364 -0.605 2.113
328 H ILE 37 HN ILE 37 19.991 -7.398 2.763
329 HA ILE 37 HA ILE 37 20.634 -8.753 5.260
330 HB ILE 37 HB ILE 37 18.257 -9.171 5.483
331 HG12 ILE 37 HG12 ILE 37 17.965 -7.899 2.749
332 HG13 ILE 37 HG11 ILE 37 17.768 -9.612 3.103
333 HG21 ILE 37 HG21 ILE 37 19.109 -6.989 6.175
334 HG22 ILE 37 HG22 ILE 37 17.449 -6.868 5.591
335 HG23 ILE 37 HG23 ILE 37 18.785 -6.346 4.564
336 HD11 ILE 37 HD11 ILE 37 16.038 -7.336 4.009
337 HD12 ILE 37 HD12 ILE 37 15.898 -8.975 4.644
338 HD13 ILE 37 HD13 ILE 37 15.611 -8.662 2.931
339 H SER 38 HN SER 38 19.478 -10.990 5.475
340 HA SER 38 HA SER 38 20.157 -12.559 3.074
341 HB2 SER 38 HB2 SER 38 20.275 -13.615 5.900
342 HB3 SER 38 HB1 SER 38 20.977 -14.310 4.442
343 HG SER 38 HG SER 38 22.309 -12.360 4.372
344 H LYS 39 HN LYS 39 17.987 -12.273 2.374
345 HA LYS 39 HA LYS 39 16.086 -14.018 3.780
346 HB2 LYS 39 HB2 LYS 39 15.298 -11.799 4.144
347 HB3 LYS 39 HB1 LYS 39 15.590 -11.349 2.473
348 HG2 LYS 39 HG2 LYS 39 13.230 -11.608 2.828
349 HG3 LYS 39 HG1 LYS 39 13.804 -12.901 1.773
350 HD2 LYS 39 HD2 LYS 39 13.941 -14.364 3.812
351 HD3 LYS 39 HD1 LYS 39 13.128 -13.079 4.707
352 HE2 LYS 39 HE2 LYS 39 11.244 -13.217 3.104
353 HE3 LYS 39 HE1 LYS 39 12.051 -14.570 2.312
354 HZ1 LYS 39 HZ1 LYS 39 11.285 -14.569 5.180
355 HZ2 LYS 39 HZ2 LYS 39 11.814 -15.885 4.258
356 HZ3 LYS 39 HZ3 LYS 39 10.304 -15.195 3.953
357 HA PRO 40 HA PRO 40 16.285 -15.916 -0.310
358 HB2 PRO 40 HB2 PRO 40 14.768 -18.094 0.881
359 HB3 PRO 40 HB1 PRO 40 16.424 -18.101 0.275
360 HG2 PRO 40 HG2 PRO 40 15.812 -18.329 2.914
361 HG3 PRO 40 HG1 PRO 40 17.317 -17.602 2.324
362 HD2 PRO 40 HD2 PRO 40 14.820 -16.267 3.301
363 HD3 PRO 40 HD1 PRO 40 16.520 -15.844 3.601
Start of MODEL 20
1 H1 MET 1 HT1 MET 1 -7.054 -6.034 -23.433
2 H2 MET 1 HT2 MET 1 -8.071 -5.421 -24.634
3 H3 MET 1 HT3 MET 1 -6.452 -4.938 -24.572
4 HA MET 1 HA MET 1 -7.388 -7.696 -25.111
5 HB2 MET 1 HB2 MET 1 -7.670 -5.733 -26.873
6 HB3 MET 1 HB1 MET 1 -5.951 -6.004 -27.111
7 HG2 MET 1 HG2 MET 1 -6.449 -8.399 -27.549
8 HG3 MET 1 HG1 MET 1 -8.164 -8.008 -27.481
9 HE1 MET 1 HE1 MET 1 -5.192 -6.996 -30.816
10 HE2 MET 1 HE2 MET 1 -5.033 -8.266 -29.603
11 HE3 MET 1 HE3 MET 1 -4.859 -6.573 -29.137
12 H LYS 2 HN LYS 2 -5.634 -7.364 -23.078
13 HA LYS 2 HA LYS 2 -3.056 -8.040 -24.322
14 HB2 LYS 2 HB2 LYS 2 -3.670 -6.140 -22.198
15 HB3 LYS 2 HB1 LYS 2 -2.450 -7.313 -21.718
16 HG2 LYS 2 HG2 LYS 2 -1.315 -6.729 -23.945
17 HG3 LYS 2 HG1 LYS 2 -2.362 -5.308 -23.938
18 HD2 LYS 2 HD2 LYS 2 -1.445 -4.600 -21.817
19 HD3 LYS 2 HD1 LYS 2 -0.490 -6.081 -21.702
20 HE2 LYS 2 HE2 LYS 2 1.012 -4.433 -22.448
21 HE3 LYS 2 HE1 LYS 2 0.597 -5.368 -23.881
22 HZ1 LYS 2 HZ1 LYS 2 0.545 -3.066 -24.419
23 HZ2 LYS 2 HZ2 LYS 2 -0.477 -2.714 -23.122
24 HZ3 LYS 2 HZ3 LYS 2 -1.048 -3.631 -24.422
25 H VAL 3 HN VAL 3 -2.848 -10.158 -24.226
26 HA VAL 3 HA VAL 3 -4.012 -11.681 -22.058
27 HB VAL 3 HB VAL 3 -4.092 -12.477 -24.434
28 HG11 VAL 3 HG11 VAL 3 -1.887 -11.838 -25.185
29 HG12 VAL 3 HG12 VAL 3 -2.086 -13.580 -25.360
30 HG13 VAL 3 HG13 VAL 3 -1.140 -12.930 -24.021
31 HG21 VAL 3 HG21 VAL 3 -2.721 -14.318 -22.478
32 HG22 VAL 3 HG22 VAL 3 -3.620 -14.818 -23.910
33 HG23 VAL 3 HG23 VAL 3 -4.456 -14.015 -22.580
34 H HIS 4 HN HIS 4 -1.005 -10.301 -22.896
35 HA HIS 4 HA HIS 4 1.023 -10.217 -21.882
36 HB2 HIS 4 HB2 HIS 4 -0.776 -11.059 -19.676
37 HB3 HIS 4 HB1 HIS 4 0.953 -11.251 -19.415
38 HD1 HIS 4 HD1 HIS 4 -1.436 -9.019 -18.439
39 HD2 HIS 4 HD2 HIS 4 2.122 -8.483 -20.528
40 HE1 HIS 4 HE1 HIS 4 -0.816 -6.607 -18.114
41 HE2 HIS 4 HE2 HIS 4 1.427 -6.357 -19.221
42 H ARG 5 HN ARG 5 2.384 -11.924 -20.179
43 HA ARG 5 HA ARG 5 2.777 -14.215 -21.934
44 HB2 ARG 5 HB2 ARG 5 4.616 -12.636 -20.881
45 HB3 ARG 5 HB1 ARG 5 4.440 -13.706 -19.498
46 HG2 ARG 5 HG2 ARG 5 6.255 -14.478 -20.841
47 HG3 ARG 5 HG1 ARG 5 4.922 -15.628 -20.981
48 HD2 ARG 5 HD2 ARG 5 4.285 -14.650 -23.119
49 HD3 ARG 5 HD1 ARG 5 5.566 -13.449 -22.969
50 HE ARG 5 HE ARG 5 6.732 -15.978 -22.800
51 HH11 ARG 5 HH11 ARG 5 5.020 -14.001 -25.124
52 HH12 ARG 5 HH12 ARG 5 5.808 -14.707 -26.503
53 HH21 ARG 5 HH21 ARG 5 7.776 -16.915 -24.624
54 HH22 ARG 5 HH22 ARG 5 7.378 -16.345 -26.214
55 H MET 6 HN MET 6 1.766 -13.407 -18.691
56 HA MET 6 HA MET 6 1.028 -16.222 -18.279
57 HB2 MET 6 HB2 MET 6 3.001 -15.276 -16.871
58 HB3 MET 6 HB1 MET 6 1.750 -14.412 -15.991
59 HG2 MET 6 HG2 MET 6 0.824 -17.019 -16.103
60 HG3 MET 6 HG1 MET 6 2.556 -17.183 -15.834
61 HE1 MET 6 HE1 MET 6 3.224 -14.534 -14.241
62 HE2 MET 6 HE2 MET 6 3.842 -16.100 -13.714
63 HE3 MET 6 HE3 MET 6 3.034 -15.041 -12.561
64 HA PRO 7 HA PRO 7 -2.753 -13.630 -17.928
65 HB2 PRO 7 HB2 PRO 7 -4.393 -15.265 -19.291
66 HB3 PRO 7 HB1 PRO 7 -3.291 -14.152 -20.109
67 HG2 PRO 7 HG2 PRO 7 -3.012 -17.087 -19.633
68 HG3 PRO 7 HG1 PRO 7 -2.605 -16.141 -21.076
69 HD2 PRO 7 HD2 PRO 7 -0.773 -16.972 -19.200
70 HD3 PRO 7 HD1 PRO 7 -0.547 -15.563 -20.252
71 H LYS 8 HN LYS 8 -1.679 -16.385 -16.526
72 HA LYS 8 HA LYS 8 -4.244 -17.082 -15.292
73 HB2 LYS 8 HB2 LYS 8 -3.038 -19.044 -14.381
74 HB3 LYS 8 HB1 LYS 8 -3.000 -18.976 -16.137
75 HG2 LYS 8 HG2 LYS 8 -0.768 -18.717 -16.212
76 HG3 LYS 8 HG1 LYS 8 -0.727 -17.704 -14.768
77 HD2 LYS 8 HD2 LYS 8 0.397 -19.706 -14.196
78 HD3 LYS 8 HD1 LYS 8 -1.191 -19.804 -13.436
79 HE2 LYS 8 HE2 LYS 8 -0.879 -20.950 -16.156
80 HE3 LYS 8 HE1 LYS 8 -0.144 -21.820 -14.812
81 HZ1 LYS 8 HZ1 LYS 8 -2.323 -21.834 -13.718
82 HZ2 LYS 8 HZ2 LYS 8 -2.360 -22.626 -15.211
83 HZ3 LYS 8 HZ3 LYS 8 -3.007 -21.075 -15.065
84 H GLY 9 HN GLY 9 -2.399 -14.699 -14.772
85 HA2 GLY 9 HA2 GLY 9 -1.432 -15.064 -12.093
86 HA3 GLY 9 HA1 GLY 9 -1.499 -13.554 -12.983
87 H VAL 10 HN VAL 10 -4.067 -15.812 -12.071
88 HA VAL 10 HA VAL 10 -5.300 -13.689 -10.440
89 HB VAL 10 HB VAL 10 -7.532 -14.669 -11.145
90 HG11 VAL 10 HG11 VAL 10 -7.595 -13.439 -13.276
91 HG12 VAL 10 HG12 VAL 10 -5.836 -13.335 -13.252
92 HG13 VAL 10 HG13 VAL 10 -6.785 -12.532 -12.000
93 HG21 VAL 10 HG21 VAL 10 -5.856 -15.903 -13.330
94 HG22 VAL 10 HG22 VAL 10 -7.616 -15.889 -13.250
95 HG23 VAL 10 HG23 VAL 10 -6.687 -16.781 -12.047
96 H VAL 11 HN VAL 11 -3.694 -16.348 -10.150
97 HA VAL 11 HA VAL 11 -5.521 -17.808 -8.395
98 HB VAL 11 HB VAL 11 -4.113 -19.013 -10.116
99 HG11 VAL 11 HG11 VAL 11 -2.053 -17.781 -9.924
100 HG12 VAL 11 HG12 VAL 11 -1.759 -19.470 -9.513
101 HG13 VAL 11 HG13 VAL 11 -1.880 -18.264 -8.234
102 HG21 VAL 11 HG21 VAL 11 -3.576 -20.886 -8.656
103 HG22 VAL 11 HG22 VAL 11 -5.130 -20.176 -8.217
104 HG23 VAL 11 HG23 VAL 11 -3.699 -19.838 -7.244
105 H LEU 12 HN LEU 12 -3.354 -15.322 -8.180
106 HA LEU 12 HA LEU 12 -2.143 -16.023 -5.658
107 HB2 LEU 12 HB2 LEU 12 -2.169 -13.435 -7.209
108 HB3 LEU 12 HB1 LEU 12 -1.262 -13.695 -5.733
109 HG LEU 12 HG LEU 12 -0.372 -15.762 -7.282
110 HD11 LEU 12 HD11 LEU 12 -1.604 -14.939 -9.229
111 HD12 LEU 12 HD12 LEU 12 0.140 -14.868 -9.482
112 HD13 LEU 12 HD13 LEU 12 -0.757 -13.396 -9.108
113 HD21 LEU 12 HD21 LEU 12 0.985 -14.243 -5.929
114 HD22 LEU 12 HD22 LEU 12 0.769 -12.974 -7.136
115 HD23 LEU 12 HD23 LEU 12 1.657 -14.443 -7.547
116 H VAL 13 HN VAL 13 -4.277 -16.444 -4.668
117 HA VAL 13 HA VAL 13 -5.494 -13.945 -3.672
118 HB VAL 13 HB VAL 13 -7.536 -15.296 -3.207
119 HG11 VAL 13 HG11 VAL 13 -8.294 -15.425 -5.539
120 HG12 VAL 13 HG12 VAL 13 -6.625 -15.247 -6.081
121 HG13 VAL 13 HG13 VAL 13 -7.415 -13.933 -5.210
122 HG21 VAL 13 HG21 VAL 13 -6.220 -17.421 -4.892
123 HG22 VAL 13 HG22 VAL 13 -7.826 -17.470 -4.166
124 HG23 VAL 13 HG23 VAL 13 -6.393 -17.504 -3.138
125 H GLY 14 HN GLY 14 -6.058 -13.849 -1.453
126 HA2 GLY 14 HA2 GLY 14 -5.987 -14.455 0.786
127 HA3 GLY 14 HA1 GLY 14 -5.314 -16.010 0.321
128 H LYS 15 HN LYS 15 -3.109 -14.966 -1.178
129 HA LYS 15 HA LYS 15 -1.351 -14.344 1.040
130 HB2 LYS 15 HB2 LYS 15 0.462 -14.734 -0.583
131 HB3 LYS 15 HB1 LYS 15 -0.670 -16.077 -0.509
132 HG2 LYS 15 HG2 LYS 15 -1.792 -14.876 -2.537
133 HG3 LYS 15 HG1 LYS 15 -0.213 -14.098 -2.695
134 HD2 LYS 15 HD2 LYS 15 -0.656 -17.082 -2.570
135 HD3 LYS 15 HD1 LYS 15 -0.459 -16.163 -4.063
136 HE2 LYS 15 HE2 LYS 15 1.774 -15.625 -3.563
137 HE3 LYS 15 HE1 LYS 15 1.594 -16.084 -1.872
138 HZ1 LYS 15 HZ1 LYS 15 1.394 -18.385 -2.536
139 HZ2 LYS 15 HZ2 LYS 15 2.833 -17.735 -3.140
140 HZ3 LYS 15 HZ3 LYS 15 1.510 -17.959 -4.169
141 H ALA 16 HN ALA 16 -3.235 -12.311 0.030
142 HA ALA 16 HA ALA 16 -1.935 -10.343 -1.492
143 HB1 ALA 16 HB1 ALA 16 -4.057 -9.931 0.611
144 HB2 ALA 16 HB2 ALA 16 -4.362 -10.381 -1.066
145 HB3 ALA 16 HB3 ALA 16 -3.635 -8.819 -0.690
146 H TRP 17 HN TRP 17 -1.884 -11.105 1.907
147 HA TRP 17 HA TRP 17 -0.615 -8.750 2.817
148 HB2 TRP 17 HB2 TRP 17 -0.563 -11.537 4.005
149 HB3 TRP 17 HB1 TRP 17 -0.106 -10.057 4.840
150 HD1 TRP 17 HD1 TRP 17 -3.211 -11.881 3.481
151 HE1 TRP 17 HE1 TRP 17 -5.291 -10.930 4.667
152 HE3 TRP 17 HE3 TRP 17 -0.999 -8.056 6.062
153 HZ2 TRP 17 HZ2 TRP 17 -5.909 -8.832 6.453
154 HZ3 TRP 17 HZ3 TRP 17 -2.407 -6.620 7.479
155 HH2 TRP 17 HH2 TRP 17 -4.815 -7.005 7.668
156 H GLU 18 HN GLU 18 0.583 -11.797 1.540
157 HA GLU 18 HA GLU 18 3.328 -11.243 2.158
158 HB2 GLU 18 HB2 GLU 18 2.398 -13.551 1.945
159 HB3 GLU 18 HB1 GLU 18 2.197 -13.270 0.222
160 HG2 GLU 18 HG2 GLU 18 4.666 -12.819 0.125
161 HG3 GLU 18 HG1 GLU 18 4.751 -13.421 1.777
162 H ILE 19 HN ILE 19 1.273 -11.028 -0.718
163 HA ILE 19 HA ILE 19 3.336 -10.411 -2.526
164 HB ILE 19 HB ILE 19 0.932 -11.103 -3.090
165 HG12 ILE 19 HG12 ILE 19 2.125 -8.800 -4.645
166 HG13 ILE 19 HG11 ILE 19 2.707 -10.459 -4.722
167 HG21 ILE 19 HG21 ILE 19 -0.677 -9.375 -3.505
168 HG22 ILE 19 HG22 ILE 19 0.462 -8.125 -3.003
169 HG23 ILE 19 HG23 ILE 19 -0.165 -9.275 -1.821
170 HD11 ILE 19 HD11 ILE 19 1.297 -9.976 -6.617
171 HD12 ILE 19 HD12 ILE 19 -0.022 -9.492 -5.549
172 HD13 ILE 19 HD13 ILE 19 0.523 -11.170 -5.578
173 H ARG 20 HN ARG 20 1.426 -8.359 -0.377
174 HA ARG 20 HA ARG 20 2.455 -5.934 -1.512
175 HB2 ARG 20 HB2 ARG 20 1.272 -4.780 0.200
176 HB3 ARG 20 HB1 ARG 20 0.258 -6.122 -0.303
177 HG2 ARG 20 HG2 ARG 20 0.078 -6.707 1.820
178 HG3 ARG 20 HG1 ARG 20 1.797 -7.106 1.810
179 HD2 ARG 20 HD2 ARG 20 1.874 -4.407 2.117
180 HD3 ARG 20 HD1 ARG 20 0.386 -4.810 2.974
181 HE ARG 20 HE ARG 20 2.098 -6.597 3.997
182 HH11 ARG 20 HH11 ARG 20 2.358 -3.133 3.526
183 HH12 ARG 20 HH12 ARG 20 3.450 -2.908 4.854
184 HH21 ARG 20 HH21 ARG 20 3.539 -6.298 5.747
185 HH22 ARG 20 HH22 ARG 20 4.133 -4.705 6.104
186 H ALA 21 HN ALA 21 3.475 -8.149 0.944
187 HA ALA 21 HA ALA 21 5.309 -6.342 2.211
188 HB1 ALA 21 HB1 ALA 21 5.705 -9.261 2.491
189 HB2 ALA 21 HB2 ALA 21 4.164 -8.609 3.046
190 HB3 ALA 21 HB3 ALA 21 5.671 -7.991 3.720
191 H LYS 22 HN LYS 22 5.579 -9.013 -0.107
192 HA LYS 22 HA LYS 22 8.413 -8.823 -0.319
193 HB2 LYS 22 HB2 LYS 22 8.258 -10.441 -2.060
194 HB3 LYS 22 HB1 LYS 22 7.069 -10.874 -0.840
195 HG2 LYS 22 HG2 LYS 22 5.304 -9.910 -2.223
196 HG3 LYS 22 HG1 LYS 22 6.501 -9.477 -3.443
197 HD2 LYS 22 HD2 LYS 22 5.449 -11.512 -4.131
198 HD3 LYS 22 HD1 LYS 22 7.093 -11.896 -3.619
199 HE2 LYS 22 HE2 LYS 22 6.200 -12.575 -1.413
200 HE3 LYS 22 HE1 LYS 22 4.572 -12.268 -2.010
201 HZ1 LYS 22 HZ1 LYS 22 6.474 -14.328 -2.982
202 HZ2 LYS 22 HZ2 LYS 22 5.018 -13.952 -3.758
203 HZ3 LYS 22 HZ3 LYS 22 4.999 -14.580 -2.184
204 H LEU 23 HN LEU 23 5.753 -7.258 -1.944
205 HA LEU 23 HA LEU 23 7.327 -6.295 -4.137
206 HB2 LEU 23 HB2 LEU 23 4.551 -6.073 -3.277
207 HB3 LEU 23 HB1 LEU 23 5.177 -4.569 -3.923
208 HG LEU 23 HG LEU 23 5.804 -5.708 -6.006
209 HD11 LEU 23 HD11 LEU 23 6.165 -7.952 -4.947
210 HD12 LEU 23 HD12 LEU 23 5.236 -7.980 -6.447
211 HD13 LEU 23 HD13 LEU 23 4.411 -8.137 -4.896
212 HD21 LEU 23 HD21 LEU 23 2.941 -6.206 -5.207
213 HD22 LEU 23 HD22 LEU 23 3.559 -6.083 -6.854
214 HD23 LEU 23 HD23 LEU 23 3.591 -4.675 -5.793
215 H LYS 24 HN LYS 24 6.358 -5.010 -0.998
216 HA LYS 24 HA LYS 24 7.417 -2.408 -1.494
217 HB2 LYS 24 HB2 LYS 24 6.478 -3.861 0.946
218 HB3 LYS 24 HB1 LYS 24 7.341 -2.340 1.117
219 HG2 LYS 24 HG2 LYS 24 5.644 -1.353 -0.475
220 HG3 LYS 24 HG1 LYS 24 4.719 -2.838 -0.256
221 HD2 LYS 24 HD2 LYS 24 4.045 -2.257 1.806
222 HD3 LYS 24 HD1 LYS 24 5.618 -1.582 2.237
223 HE2 LYS 24 HE2 LYS 24 5.090 0.415 0.869
224 HE3 LYS 24 HE1 LYS 24 3.488 -0.259 0.561
225 HZ1 LYS 24 HZ1 LYS 24 3.574 1.379 2.395
226 HZ2 LYS 24 HZ2 LYS 24 4.540 0.303 3.270
227 HZ3 LYS 24 HZ3 LYS 24 2.961 -0.129 2.855
228 H GLU 25 HN GLU 25 8.720 -5.416 -0.425
229 HA GLU 25 HA GLU 25 11.117 -4.300 0.687
230 HB2 GLU 25 HB2 GLU 25 9.967 -6.603 1.163
231 HB3 GLU 25 HB1 GLU 25 10.896 -7.146 -0.228
232 HG2 GLU 25 HG2 GLU 25 12.197 -7.682 1.631
233 HG3 GLU 25 HG1 GLU 25 12.938 -6.227 0.957
234 H TYR 26 HN TYR 26 10.048 -5.356 -2.430
235 HA TYR 26 HA TYR 26 12.761 -5.335 -3.506
236 HB2 TYR 26 HB2 TYR 26 10.916 -7.068 -4.070
237 HB3 TYR 26 HB1 TYR 26 10.256 -5.805 -5.100
238 HD1 TYR 26 HD1 TYR 26 11.575 -4.984 -7.043
239 HD2 TYR 26 HD2 TYR 26 12.837 -8.306 -4.701
240 HE1 TYR 26 HE1 TYR 26 13.098 -5.670 -8.845
241 HE2 TYR 26 HE2 TYR 26 14.360 -9.004 -6.500
242 HH TYR 26 HH TYR 26 15.321 -7.069 -8.939
243 H GLY 27 HN GLY 27 9.729 -3.544 -3.695
244 HA2 GLY 27 HA2 GLY 27 11.125 -1.527 -5.348
245 HA3 GLY 27 HA1 GLY 27 9.410 -1.878 -5.507
246 H ARG 28 HN ARG 28 11.737 -0.982 -2.990
247 HA ARG 28 HA ARG 28 9.793 0.333 -1.376
248 HB2 ARG 28 HB2 ARG 28 11.705 1.030 -0.021
249 HB3 ARG 28 HB1 ARG 28 11.842 -0.671 -0.446
250 HG2 ARG 28 HG2 ARG 28 13.272 0.219 -2.428
251 HG3 ARG 28 HG1 ARG 28 13.434 1.653 -1.414
252 HD2 ARG 28 HD2 ARG 28 14.392 0.361 0.364
253 HD3 ARG 28 HD1 ARG 28 14.066 -1.144 -0.495
254 HE ARG 28 HE ARG 28 15.751 0.691 -1.939
255 HH11 ARG 28 HH11 ARG 28 15.689 -1.878 0.441
256 HH12 ARG 28 HH12 ARG 28 17.323 -2.369 0.138
257 HH21 ARG 28 HH21 ARG 28 17.907 0.055 -2.331
258 HH22 ARG 28 HH22 ARG 28 18.582 -1.272 -1.443
259 H THR 29 HN THR 29 11.751 1.309 -4.050
260 HA THR 29 HA THR 29 11.115 4.140 -3.548
261 HB THR 29 HB THR 29 12.985 3.956 -5.649
262 HG1 THR 29 HG1 THR 29 14.545 2.778 -3.931
263 HG21 THR 29 HG21 THR 29 13.380 4.619 -2.725
264 HG22 THR 29 HG22 THR 29 12.862 5.744 -3.980
265 HG23 THR 29 HG23 THR 29 14.482 5.050 -4.031
266 H PHE 30 HN PHE 30 9.682 1.760 -5.037
267 HA PHE 30 HA PHE 30 9.468 2.779 -7.729
268 HB2 PHE 30 HB2 PHE 30 9.193 0.307 -6.744
269 HB3 PHE 30 HB1 PHE 30 7.505 0.800 -6.699
270 HD1 PHE 30 HD1 PHE 30 10.434 0.491 -8.950
271 HD2 PHE 30 HD2 PHE 30 6.198 0.757 -8.634
272 HE1 PHE 30 HE1 PHE 30 10.232 -0.030 -11.346
273 HE2 PHE 30 HE2 PHE 30 5.982 0.235 -11.034
274 HZ PHE 30 HZ PHE 30 8.000 -0.159 -12.395
275 H GLN 31 HN GLN 31 8.840 4.860 -6.235
276 HA GLN 31 HA GLN 31 5.895 5.021 -6.318
277 HB2 GLN 31 HB2 GLN 31 7.776 6.666 -4.618
278 HB3 GLN 31 HB1 GLN 31 6.019 6.723 -4.588
279 HG2 GLN 31 HG2 GLN 31 5.834 4.762 -3.432
280 HG3 GLN 31 HG1 GLN 31 7.360 4.128 -4.046
281 HE21 GLN 31 HE21 GLN 31 6.374 4.278 -1.303
282 HE22 GLN 31 HE22 GLN 31 7.564 5.171 -0.424
283 H TYR 32 HN TYR 32 8.661 5.978 -7.861
284 HA TYR 32 HA TYR 32 8.328 8.695 -8.378
285 HB2 TYR 32 HB2 TYR 32 9.537 6.560 -10.139
286 HB3 TYR 32 HB1 TYR 32 9.722 8.294 -10.387
287 HD1 TYR 32 HD1 TYR 32 10.276 9.394 -7.809
288 HD2 TYR 32 HD2 TYR 32 11.554 5.662 -9.410
289 HE1 TYR 32 HE1 TYR 32 12.214 9.420 -6.299
290 HE2 TYR 32 HE2 TYR 32 13.496 5.679 -7.899
291 HH TYR 32 HH TYR 32 13.750 7.766 -5.263
292 H VAL 33 HN VAL 33 7.206 5.938 -10.328
293 HA VAL 33 HA VAL 33 5.927 7.463 -12.309
294 HB VAL 33 HB VAL 33 5.228 4.675 -11.377
295 HG11 VAL 33 HG11 VAL 33 4.647 6.027 -14.007
296 HG12 VAL 33 HG12 VAL 33 3.465 5.691 -12.743
297 HG13 VAL 33 HG13 VAL 33 4.259 4.359 -13.583
298 HG21 VAL 33 HG21 VAL 33 6.658 3.919 -13.223
299 HG22 VAL 33 HG22 VAL 33 7.561 4.832 -12.014
300 HG23 VAL 33 HG23 VAL 33 7.112 5.595 -13.537
301 H LYS 34 HN LYS 34 4.786 6.154 -9.251
302 HA LYS 34 HA LYS 34 2.049 6.793 -9.607
303 HB2 LYS 34 HB2 LYS 34 3.622 6.332 -7.064
304 HB3 LYS 34 HB1 LYS 34 1.868 6.361 -7.187
305 HG2 LYS 34 HG2 LYS 34 3.414 4.461 -8.880
306 HG3 LYS 34 HG1 LYS 34 3.165 4.096 -7.172
307 HD2 LYS 34 HD2 LYS 34 0.852 4.881 -8.907
308 HD3 LYS 34 HD1 LYS 34 1.456 3.225 -8.921
309 HE2 LYS 34 HE2 LYS 34 1.135 3.100 -6.488
310 HE3 LYS 34 HE1 LYS 34 0.500 4.742 -6.495
311 HZ1 LYS 34 HZ1 LYS 34 -1.219 2.989 -6.484
312 HZ2 LYS 34 HZ2 LYS 34 -0.706 2.509 -8.018
313 HZ3 LYS 34 HZ3 LYS 34 -1.352 4.054 -7.791
314 H ASP 35 HN ASP 35 4.793 8.536 -8.288
315 HA ASP 35 HA ASP 35 3.210 10.644 -7.156
316 HB2 ASP 35 HB2 ASP 35 5.566 9.932 -6.428
317 HB3 ASP 35 HB1 ASP 35 6.142 10.836 -7.827
318 H TRP 36 HN TRP 36 4.907 10.101 -10.176
319 HA TRP 36 HA TRP 36 4.886 12.692 -11.212
320 HB2 TRP 36 HB2 TRP 36 4.984 9.960 -12.397
321 HB3 TRP 36 HB1 TRP 36 4.612 11.301 -13.474
322 HD1 TRP 36 HD1 TRP 36 6.917 12.584 -10.919
323 HE1 TRP 36 HE1 TRP 36 9.335 12.636 -11.814
324 HE3 TRP 36 HE3 TRP 36 6.315 9.670 -15.077
325 HZ2 TRP 36 HZ2 TRP 36 10.784 11.591 -13.991
326 HZ3 TRP 36 HZ3 TRP 36 8.270 9.245 -16.519
327 HH2 TRP 36 HH2 TRP 36 10.458 10.188 -15.981
328 H ILE 37 HN ILE 37 2.459 10.127 -11.489
329 HA ILE 37 HA ILE 37 0.553 12.155 -12.442
330 HB ILE 37 HB ILE 37 -0.795 10.181 -13.268
331 HG12 ILE 37 HG12 ILE 37 1.825 8.697 -12.980
332 HG13 ILE 37 HG11 ILE 37 0.474 8.508 -11.867
333 HG21 ILE 37 HG21 ILE 37 1.914 10.646 -14.502
334 HG22 ILE 37 HG22 ILE 37 0.465 11.616 -14.771
335 HG23 ILE 37 HG23 ILE 37 0.518 9.939 -15.315
336 HD11 ILE 37 HD11 ILE 37 -0.917 7.649 -13.635
337 HD12 ILE 37 HD12 ILE 37 0.592 6.737 -13.566
338 HD13 ILE 37 HD13 ILE 37 0.353 7.954 -14.820
339 H SER 38 HN SER 38 0.948 12.211 -9.813
340 HA SER 38 HA SER 38 -0.743 10.464 -8.333
341 HB2 SER 38 HB2 SER 38 -0.401 12.372 -6.574
342 HB3 SER 38 HB1 SER 38 0.981 11.383 -7.051
343 HG SER 38 HG SER 38 1.864 13.055 -8.007
344 H LYS 39 HN LYS 39 -0.965 13.972 -8.705
345 HA LYS 39 HA LYS 39 -2.681 15.429 -8.859
346 HB2 LYS 39 HB2 LYS 39 -3.006 14.120 -10.995
347 HB3 LYS 39 HB1 LYS 39 -4.239 13.192 -10.152
348 HG2 LYS 39 HG2 LYS 39 -5.475 15.288 -9.736
349 HG3 LYS 39 HG1 LYS 39 -4.275 16.147 -10.702
350 HD2 LYS 39 HD2 LYS 39 -4.825 14.721 -12.623
351 HD3 LYS 39 HD1 LYS 39 -6.057 13.912 -11.653
352 HE2 LYS 39 HE2 LYS 39 -7.117 16.166 -11.319
353 HE3 LYS 39 HE1 LYS 39 -5.989 16.792 -12.517
354 HZ1 LYS 39 HZ1 LYS 39 -7.956 16.287 -13.662
355 HZ2 LYS 39 HZ2 LYS 39 -8.125 14.789 -12.909
356 HZ3 LYS 39 HZ3 LYS 39 -6.893 15.030 -14.040
357 HA PRO 40 HA PRO 40 -4.696 13.964 -5.025
358 HB2 PRO 40 HB2 PRO 40 -5.053 16.500 -4.042
359 HB3 PRO 40 HB1 PRO 40 -3.593 15.540 -3.792
360 HG2 PRO 40 HG2 PRO 40 -4.118 17.713 -5.773
361 HG3 PRO 40 HG1 PRO 40 -2.655 17.394 -4.825
362 HD2 PRO 40 HD2 PRO 40 -2.858 16.720 -7.427
363 HD3 PRO 40 HD1 PRO 40 -1.929 15.745 -6.270
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