Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
596355 | 2n4n RC | 25673 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 0 HA2 ACE 0 12.342 -2.012 -1.384
2 H2 ACE 0 HA3 ACE 0 10.601 -1.819 -1.180
3 H3 ACE 0 HA1 ACE 0 11.692 -1.446 0.155
4 H GLU 1 HN GLU 1 13.609 0.085 -0.914
5 HA GLU 1 HA GLU 1 12.563 2.125 -2.658
6 HB2 GLU 1 HB2 GLU 1 12.709 3.970 -1.030
7 HB3 GLU 1 HB1 GLU 1 11.483 2.795 -0.564
8 HG2 GLU 1 HG2 GLU 1 13.057 1.751 1.004
9 HG3 GLU 1 HG1 GLU 1 14.305 2.904 0.537
10 H ARG 2 HN ARG 2 14.342 4.189 -1.652
11 HA ARG 2 HA ARG 2 16.916 3.044 -2.550
12 HB2 ARG 2 HB2 ARG 2 15.984 5.933 -2.538
13 HB3 ARG 2 HB1 ARG 2 17.556 5.382 -3.082
14 HG2 ARG 2 HG2 ARG 2 16.149 5.807 -5.010
15 HG3 ARG 2 HG1 ARG 2 16.442 4.084 -4.890
16 HD2 ARG 2 HD2 ARG 2 14.221 3.720 -3.974
17 HD3 ARG 2 HD1 ARG 2 13.921 5.446 -3.890
18 HE ARG 2 HE ARG 2 13.567 3.758 -6.147
19 HH11 ARG 2 HH21 ARG 2 14.628 6.916 -5.188
20 HH12 ARG 2 HH22 ARG 2 14.348 7.626 -6.743
21 HH21 ARG 2 HH11 ARG 2 13.196 4.691 -8.177
22 HH22 ARG 2 HH12 ARG 2 13.538 6.370 -8.432
23 H PHE 3 HN PHE 3 18.832 3.536 -1.430
24 HA PHE 3 HA PHE 3 18.626 5.040 1.090
25 HB2 PHE 3 HB2 PHE 3 17.999 2.720 1.631
26 HB3 PHE 3 HB1 PHE 3 19.509 2.158 0.919
27 HD1 PHE 3 HD1 PHE 3 18.465 4.824 3.377
28 HD2 PHE 3 HD2 PHE 3 21.139 1.577 2.479
29 HE1 PHE 3 HE1 PHE 3 19.566 5.117 5.576
30 HE2 PHE 3 HE2 PHE 3 22.227 1.875 4.676
31 HZ PHE 3 HZ PHE 3 21.448 3.641 6.227
32 H TYR 4 HN TYR 4 20.334 6.350 1.200
33 HA TYR 4 HA TYR 4 22.940 5.454 0.109
34 HB2 TYR 4 HB2 TYR 4 21.995 7.003 -1.494
35 HB3 TYR 4 HB1 TYR 4 21.649 8.167 -0.220
36 HD1 TYR 4 HD1 TYR 4 24.668 6.128 -1.288
37 HD2 TYR 4 HD2 TYR 4 23.112 9.974 -0.154
38 HE1 TYR 4 HE1 TYR 4 26.911 7.119 -1.567
39 HE2 TYR 4 HE2 TYR 4 25.367 10.955 -0.425
40 HH TYR 4 HH TYR 4 28.009 9.140 -1.827
41 H GLU 5 HN GLU 5 24.142 5.137 1.856
42 HA GLU 5 HA GLU 5 24.659 7.452 3.598
43 HB2 GLU 5 HB2 GLU 5 24.014 4.691 4.659
44 HB3 GLU 5 HB1 GLU 5 24.623 6.029 5.623
45 HG2 GLU 5 HG2 GLU 5 22.009 6.011 4.084
46 HG3 GLU 5 HG1 GLU 5 22.171 5.818 5.827
47 H LYS 6 HN LYS 6 26.762 7.445 4.490
48 HA LYS 6 HA LYS 6 28.590 5.374 3.388
49 HB2 LYS 6 HB2 LYS 6 30.280 7.131 3.186
50 HB3 LYS 6 HB1 LYS 6 28.875 7.489 2.183
51 HG2 LYS 6 HG2 LYS 6 27.994 8.962 3.988
52 HG3 LYS 6 HG1 LYS 6 29.447 8.655 4.930
53 HD2 LYS 6 HD2 LYS 6 29.374 9.981 2.200
54 HD3 LYS 6 HD1 LYS 6 29.573 10.820 3.732
55 HE2 LYS 6 HE2 LYS 6 31.508 8.797 2.542
56 HE3 LYS 6 HE1 LYS 6 31.740 10.531 2.654
57 HZ1 LYS 6 HZ1 LYS 6 32.831 9.823 4.511
58 HZ2 LYS 6 HZ2 LYS 6 31.764 8.533 4.801
59 HZ3 LYS 6 HZ3 LYS 6 31.292 10.125 5.158
60 HAC 4G6 7 HAC 4G6 7 32.965 6.572 5.227
61 HAB 4G6 7 HAB 4G6 7 32.247 7.280 6.693
62 HAA 4G6 7 HAA 4G6 7 33.879 6.572 6.753
63 HAF 4G6 7 HAF 4G6 7 32.415 3.726 8.301
64 HAD 4G6 7 HAD 4G6 7 32.514 5.436 8.793
65 HAE 4G6 7 HAE 4G6 7 33.906 4.650 8.009
66 HAL 4G6 7 HAL 4G6 7 33.459 4.305 5.081
67 HAH 4G6 7 HAH 4G6 7 30.530 6.135 7.397
68 HAG 4G6 7 HAG 4G6 7 30.347 4.379 7.215
69 HAI 4G6 7 HAI 4G6 7 30.626 5.138 4.620
70 HA DPR 8 HA PRO 8 33.558 2.288 4.188
71 HB2 DPR 8 HB2 PRO 8 33.390 0.307 5.392
72 HB3 DPR 8 HB1 PRO 8 31.633 0.462 5.600
73 HG2 DPR 8 HG2 PRO 8 33.182 -0.578 3.281
74 HG3 DPR 8 HG1 PRO 8 31.593 -1.069 3.886
75 HD2 DPR 8 HD2 PRO 8 32.044 0.616 1.675
76 HD3 DPR 8 HD1 PRO 8 30.498 0.449 2.535
77 H VAL 9 HN VAL 9 28.454 3.623 2.207
78 HA VAL 9 HA VAL 9 30.690 2.260 0.800
79 HB VAL 9 HB VAL 9 30.196 5.215 1.239
80 HG11 VAL 9 HG11 VAL 9 32.389 3.656 -0.151
81 HG12 VAL 9 HG12 VAL 9 32.560 4.811 1.170
82 HG13 VAL 9 HG13 VAL 9 32.103 5.372 -0.438
83 HG21 VAL 9 HG21 VAL 9 30.150 3.631 -1.342
84 HG22 VAL 9 HG22 VAL 9 29.655 5.307 -1.098
85 HG23 VAL 9 HG23 VAL 9 28.694 3.995 -0.415
86 H GLN 10 HN GLN 10 26.264 0.134 0.559
87 HA GLN 10 HA GLN 10 26.471 2.685 2.073
88 HB2 GLN 10 HB2 GLN 10 27.195 -0.098 3.016
89 HB3 GLN 10 HB1 GLN 10 27.385 1.384 3.940
90 HG2 GLN 10 HG2 GLN 10 24.741 0.266 2.972
91 HG3 GLN 10 HG1 GLN 10 25.368 0.106 4.609
92 HE21 GLN 10 HE21 GLN 10 24.625 1.655 6.023
93 HE22 GLN 10 HE22 GLN 10 24.067 3.196 5.589
94 H LYS 11 HN LYS 11 22.263 1.444 -0.058
95 HA LYS 11 HA LYS 11 24.431 -0.317 -0.375
96 HB2 LYS 11 HB2 LYS 11 25.652 1.144 -2.132
97 HB3 LYS 11 HB1 LYS 11 24.497 -0.067 -2.648
98 HG2 LYS 11 HG2 LYS 11 24.218 2.039 -3.870
99 HG3 LYS 11 HG1 LYS 11 22.790 1.654 -2.929
100 HD2 LYS 11 HD2 LYS 11 23.469 3.276 -1.222
101 HD3 LYS 11 HD1 LYS 11 24.922 3.660 -2.152
102 HE2 LYS 11 HE2 LYS 11 22.066 3.950 -3.139
103 HE3 LYS 11 HE1 LYS 11 23.078 5.279 -2.608
104 HZ1 LYS 11 HZ1 LYS 11 23.526 5.355 -4.806
105 HZ2 LYS 11 HZ2 LYS 11 23.209 3.706 -5.055
106 HZ3 LYS 11 HZ3 LYS 11 24.691 4.199 -4.383
107 H PHE 12 HN PHE 12 19.993 -1.506 -2.545
108 HA PHE 12 HA PHE 12 20.214 1.046 -1.048
109 HB2 PHE 12 HB2 PHE 12 20.125 -1.790 0.021
110 HB3 PHE 12 HB1 PHE 12 20.414 -0.351 0.991
111 HD1 PHE 12 HD1 PHE 12 17.918 -1.547 -1.598
112 HD2 PHE 12 HD2 PHE 12 18.566 0.497 2.133
113 HE1 PHE 12 HE1 PHE 12 15.498 -1.127 -1.402
114 HE2 PHE 12 HE2 PHE 12 16.136 0.906 2.317
115 HZ PHE 12 HZ PHE 12 14.612 0.103 0.545
116 H ILE 13 HN ILE 13 16.715 -0.881 -3.236
117 HA ILE 13 HA ILE 13 19.207 -1.377 -4.577
118 HB ILE 13 HB ILE 13 19.280 0.825 -5.767
119 HG12 ILE 13 HG12 ILE 13 16.281 0.826 -5.277
120 HG13 ILE 13 HG11 ILE 13 17.415 1.940 -4.540
121 HG21 ILE 13 HG21 ILE 13 18.704 -1.420 -6.841
122 HG22 ILE 13 HG22 ILE 13 18.200 0.018 -7.722
123 HG23 ILE 13 HG23 ILE 13 17.018 -0.897 -6.792
124 HD11 ILE 13 HD11 ILE 13 17.806 3.095 -6.516
125 HD12 ILE 13 HD12 ILE 13 16.111 2.655 -6.707
126 HD13 ILE 13 HD13 ILE 13 17.355 1.733 -7.537
127 H ARG 14 HN ARG 14 14.766 -3.005 -6.097
128 HA ARG 14 HA ARG 14 15.033 -2.156 -3.453
129 HB2 ARG 14 HB2 ARG 14 16.509 -3.831 -2.470
130 HB3 ARG 14 HB1 ARG 14 14.929 -4.505 -2.800
131 HG2 ARG 14 HG2 ARG 14 17.346 -4.889 -4.570
132 HG3 ARG 14 HG1 ARG 14 16.788 -6.054 -3.398
133 HD2 ARG 14 HD2 ARG 14 14.569 -6.075 -4.613
134 HD3 ARG 14 HD1 ARG 14 15.345 -5.119 -5.871
135 HE ARG 14 HE ARG 14 15.696 -7.885 -5.430
136 HH11 ARG 14 HH21 ARG 14 17.247 -4.972 -6.451
137 HH12 ARG 14 HH22 ARG 14 18.498 -5.778 -7.337
138 HH21 ARG 14 HH11 ARG 14 17.345 -8.960 -6.588
139 HH22 ARG 14 HH12 ARG 14 18.554 -8.034 -7.413
140 H VAL 15 HN VAL 15 11.437 -5.533 -5.018
141 HA VAL 15 HA VAL 15 13.031 -4.052 -6.988
142 HB VAL 15 HB VAL 15 12.068 -1.866 -6.370
143 HG11 VAL 15 HG11 VAL 15 11.199 -3.251 -8.341
144 HG12 VAL 15 HG12 VAL 15 10.126 -1.989 -7.741
145 HG13 VAL 15 HG13 VAL 15 9.830 -3.670 -7.310
146 HG21 VAL 15 HG21 VAL 15 11.186 -2.303 -4.192
147 HG22 VAL 15 HG22 VAL 15 10.172 -3.615 -4.791
148 HG23 VAL 15 HG23 VAL 15 9.795 -1.945 -5.216
149 H8 4FU 16 HAM 4FU 16 10.554 -9.276 -6.948
150 H9 4FU 16 HAI 4FU 16 12.007 -7.404 -8.853
151 HAI 4FU 16 HAJ 4FU 16 11.974 -9.179 -8.965
152 H112 4FU 16 HAE 4FU 16 9.528 -9.147 -9.196
153 H111 4FU 16 HAF 4FU 16 10.301 -8.170 -10.465
154 HAG 4FU 16 HAG 4FU 16 9.827 -6.114 -9.202
155 H12 4FU 16 HAH 4FU 16 8.335 -7.037 -9.467
156 HAL 4FU 16 HAL 4FU 16 8.469 -7.985 -7.224
157 HAK 4FU 16 HAK 4FU 16 8.498 -6.212 -7.131
158 H14 4FU 16 HAN 4FU 16 10.173 -7.227 -5.628
159 H GLY 17 HN GLY 17 12.205 -10.407 -6.055
160 HA2 GLY 17 HA2 GLY 17 14.156 -10.868 -4.922
161 HA3 GLY 17 HA1 GLY 17 14.851 -9.439 -5.687
162 H VAL 18 HN VAL 18 14.737 -10.563 -2.806
163 HA VAL 18 HA VAL 18 13.241 -8.774 -1.232
164 HB VAL 18 HB VAL 18 14.708 -9.488 0.631
165 HG11 VAL 18 HG11 VAL 18 14.121 -11.854 -1.162
166 HG12 VAL 18 HG12 VAL 18 12.842 -10.930 -0.373
167 HG13 VAL 18 HG13 VAL 18 14.044 -11.778 0.599
168 HG21 VAL 18 HG21 VAL 18 16.428 -11.362 -0.158
169 HG22 VAL 18 HG22 VAL 18 16.903 -9.669 -0.171
170 HG23 VAL 18 HG23 VAL 18 16.405 -10.451 -1.669
171 H THR 19 HN THR 19 15.956 -8.213 0.333
172 HA THR 19 HA THR 19 16.672 -5.766 -1.175
173 HB THR 19 HB THR 19 16.697 -4.522 0.933
174 HG1 THR 19 HG1 THR 19 15.273 -6.114 2.463
175 HG21 THR 19 HG21 THR 19 14.027 -5.899 0.801
176 HG22 THR 19 HG22 THR 19 14.574 -4.934 -0.566
177 HG23 THR 19 HG23 THR 19 14.377 -4.185 1.019
178 H ILE 20 HN ILE 20 18.772 -4.985 -0.910
179 HA ILE 20 HA ILE 20 20.642 -6.377 0.818
180 HB ILE 20 HB ILE 20 20.505 -7.899 -1.135
181 HG12 ILE 20 HG12 ILE 20 22.919 -7.927 -1.689
182 HG13 ILE 20 HG11 ILE 20 23.092 -6.314 -1.009
183 HG21 ILE 20 HG21 ILE 20 21.064 -7.161 -3.341
184 HG22 ILE 20 HG22 ILE 20 21.599 -5.588 -2.750
185 HG23 ILE 20 HG23 ILE 20 19.885 -6.005 -2.721
186 HD11 ILE 20 HD11 ILE 20 22.847 -7.057 1.179
187 HD12 ILE 20 HD12 ILE 20 23.647 -8.448 0.453
188 HD13 ILE 20 HD13 ILE 20 21.903 -8.471 0.708
189 H ARG 21 HN ARG 21 22.697 -5.274 0.930
190 HA ARG 21 HA ARG 21 22.906 -2.761 -0.550
191 HB2 ARG 21 HB2 ARG 21 23.429 -1.421 1.410
192 HB3 ARG 21 HB1 ARG 21 21.819 -2.080 1.530
193 HG2 ARG 21 HG2 ARG 21 24.227 -3.252 2.933
194 HG3 ARG 21 HG1 ARG 21 23.099 -2.129 3.678
195 HD2 ARG 21 HD2 ARG 21 22.448 -4.911 2.667
196 HD3 ARG 21 HD1 ARG 21 22.527 -4.387 4.326
197 HE ARG 21 HE ARG 21 20.688 -2.725 3.027
198 HH11 ARG 21 HH21 ARG 21 21.119 -6.050 3.897
199 HH12 ARG 21 HH22 ARG 21 19.425 -6.368 4.065
200 HH21 ARG 21 HH11 ARG 21 18.470 -3.135 3.246
201 HH22 ARG 21 HH12 ARG 21 17.924 -4.716 3.695
202 H GLU 22 HN GLU 22 24.911 -1.974 -0.890
203 HA GLU 22 HA GLU 22 27.240 -2.928 0.462
204 HB2 GLU 22 HB2 GLU 22 28.247 -4.240 -1.347
205 HB3 GLU 22 HB1 GLU 22 26.751 -4.987 -0.795
206 HG2 GLU 22 HG2 GLU 22 27.037 -3.228 -3.254
207 HG3 GLU 22 HG1 GLU 22 26.885 -4.981 -3.259
208 H LYS 23 HN LYS 23 29.250 -2.127 -0.518
209 HA LYS 23 HA LYS 23 30.358 -0.147 -1.104
210 HB2 LYS 23 HB2 LYS 23 29.134 -1.016 -3.729
211 HB3 LYS 23 HB1 LYS 23 30.585 -0.047 -3.530
212 HG2 LYS 23 HG2 LYS 23 30.252 -2.904 -2.596
213 HG3 LYS 23 HG1 LYS 23 31.114 -2.400 -4.042
214 HD2 LYS 23 HD2 LYS 23 32.685 -1.091 -2.616
215 HD3 LYS 23 HD1 LYS 23 31.850 -1.694 -1.184
216 HE2 LYS 23 HE2 LYS 23 33.809 -3.068 -1.643
217 HE3 LYS 23 HE1 LYS 23 32.326 -3.995 -1.854
218 HZ1 LYS 23 HZ1 LYS 23 33.369 -2.612 -4.195
219 HZ2 LYS 23 HZ2 LYS 23 32.597 -4.122 -4.078
220 HZ3 LYS 23 HZ3 LYS 23 34.236 -3.967 -3.660
221 HN1 NH2 24 H2 LYS 23 27.172 1.904 -1.065
222 HN2 NH2 24 H1 LYS 23 27.491 0.420 -0.318
Start of MODEL 2
1 H1 ACE 0 HA2 ACE 0 10.325 -2.434 1.026
2 H2 ACE 0 HA3 ACE 0 11.096 -1.811 2.484
3 H3 ACE 0 HA1 ACE 0 12.086 -2.397 1.147
4 H GLU 1 HN GLU 1 13.143 -0.612 0.432
5 HA GLU 1 HA GLU 1 11.751 1.383 -1.022
6 HB2 GLU 1 HB2 GLU 1 12.245 3.338 0.399
7 HB3 GLU 1 HB1 GLU 1 11.170 2.208 1.208
8 HG2 GLU 1 HG2 GLU 1 13.078 1.241 2.429
9 HG3 GLU 1 HG1 GLU 1 14.168 2.370 1.626
10 H ARG 2 HN ARG 2 13.750 3.471 -0.335
11 HA ARG 2 HA ARG 2 16.187 2.352 -1.602
12 HB2 ARG 2 HB2 ARG 2 14.879 5.044 -2.101
13 HB3 ARG 2 HB1 ARG 2 16.338 4.444 -2.876
14 HG2 ARG 2 HG2 ARG 2 13.585 3.197 -3.150
15 HG3 ARG 2 HG1 ARG 2 14.337 4.252 -4.336
16 HD2 ARG 2 HD2 ARG 2 16.183 2.622 -4.585
17 HD3 ARG 2 HD1 ARG 2 15.388 1.551 -3.440
18 HE ARG 2 HE ARG 2 14.060 0.833 -5.162
19 HH11 ARG 2 HH21 ARG 2 15.270 4.003 -5.877
20 HH12 ARG 2 HH22 ARG 2 14.472 4.105 -7.411
21 HH21 ARG 2 HH11 ARG 2 13.029 0.963 -7.167
22 HH22 ARG 2 HH12 ARG 2 13.206 2.384 -8.141
23 H PHE 3 HN PHE 3 18.021 2.795 -0.528
24 HA PHE 3 HA PHE 3 18.596 5.274 0.623
25 HB2 PHE 3 HB2 PHE 3 17.001 4.694 2.408
26 HB3 PHE 3 HB1 PHE 3 17.890 3.202 2.731
27 HD1 PHE 3 HD1 PHE 3 18.884 6.832 2.184
28 HD2 PHE 3 HD2 PHE 3 19.133 3.374 4.710
29 HE1 PHE 3 HE1 PHE 3 20.438 8.030 3.687
30 HE2 PHE 3 HE2 PHE 3 20.713 4.556 6.188
31 HZ PHE 3 HZ PHE 3 21.379 6.881 5.678
32 H TYR 4 HN TYR 4 20.637 4.804 2.368
33 HA TYR 4 HA TYR 4 22.816 4.121 2.424
34 HB2 TYR 4 HB2 TYR 4 21.756 1.691 0.974
35 HB3 TYR 4 HB1 TYR 4 23.400 1.877 1.452
36 HD1 TYR 4 HD1 TYR 4 20.057 2.275 3.043
37 HD2 TYR 4 HD2 TYR 4 24.037 0.707 3.330
38 HE1 TYR 4 HE1 TYR 4 19.501 1.252 5.258
39 HE2 TYR 4 HE2 TYR 4 23.497 -0.266 5.547
40 HH TYR 4 HH TYR 4 21.326 0.547 7.446
41 H GLU 5 HN GLU 5 24.299 5.205 1.245
42 HA GLU 5 HA GLU 5 24.200 5.031 -1.706
43 HB2 GLU 5 HB2 GLU 5 24.854 7.556 -0.168
44 HB3 GLU 5 HB1 GLU 5 24.930 7.363 -1.908
45 HG2 GLU 5 HG2 GLU 5 22.906 8.518 -1.477
46 HG3 GLU 5 HG1 GLU 5 22.424 6.865 -1.816
47 H LYS 6 HN LYS 6 26.483 7.101 -0.095
48 HA LYS 6 HA LYS 6 28.618 5.176 0.098
49 HB2 LYS 6 HB2 LYS 6 28.349 5.534 -2.390
50 HB3 LYS 6 HB1 LYS 6 28.720 7.229 -2.136
51 HG2 LYS 6 HG2 LYS 6 30.577 4.904 -1.536
52 HG3 LYS 6 HG1 LYS 6 30.690 5.961 -2.931
53 HD2 LYS 6 HD2 LYS 6 31.101 7.886 -1.358
54 HD3 LYS 6 HD1 LYS 6 31.141 6.723 -0.033
55 HE2 LYS 6 HE2 LYS 6 33.410 7.183 -0.817
56 HE3 LYS 6 HE1 LYS 6 32.963 5.501 -1.098
57 HZ1 LYS 6 HZ1 LYS 6 32.901 5.788 -3.324
58 HZ2 LYS 6 HZ2 LYS 6 34.008 7.028 -2.974
59 HZ3 LYS 6 HZ3 LYS 6 32.370 7.395 -3.230
60 HAC 4G6 7 HAC 4G6 7 32.268 8.524 4.129
61 HAB 4G6 7 HAB 4G6 7 30.736 9.294 4.611
62 HAA 4G6 7 HAA 4G6 7 31.458 8.030 5.635
63 HAF 4G6 7 HAF 4G6 7 29.319 5.653 4.544
64 HAD 4G6 7 HAD 4G6 7 28.499 7.234 4.569
65 HAE 4G6 7 HAE 4G6 7 29.732 6.848 5.796
66 HAL 4G6 7 HAL 4G6 7 31.866 6.368 2.465
67 HAH 4G6 7 HAH 4G6 7 30.542 8.577 2.110
68 HAG 4G6 7 HAG 4G6 7 29.016 8.583 3.021
69 HAI 4G6 7 HAI 4G6 7 29.209 5.988 2.050
70 HA DPR 8 HA PRO 8 33.301 4.644 2.675
71 HB2 DPR 8 HB2 PRO 8 34.571 3.905 4.449
72 HB3 DPR 8 HB1 PRO 8 33.148 3.603 5.464
73 HG2 DPR 8 HG2 PRO 8 34.498 1.811 3.511
74 HG3 DPR 8 HG1 PRO 8 33.637 1.408 5.007
75 HD2 DPR 8 HD2 PRO 8 32.568 1.010 2.513
76 HD3 DPR 8 HD1 PRO 8 31.573 1.316 3.949
77 H VAL 9 HN VAL 9 28.593 2.888 0.194
78 HA VAL 9 HA VAL 9 30.374 1.181 1.778
79 HB VAL 9 HB VAL 9 30.787 2.683 -0.825
80 HG11 VAL 9 HG11 VAL 9 32.407 0.382 0.295
81 HG12 VAL 9 HG12 VAL 9 32.884 2.071 0.464
82 HG13 VAL 9 HG13 VAL 9 32.760 1.347 -1.134
83 HG21 VAL 9 HG21 VAL 9 30.571 -0.275 -0.852
84 HG22 VAL 9 HG22 VAL 9 29.843 0.907 -1.933
85 HG23 VAL 9 HG23 VAL 9 29.069 0.536 -0.390
86 H GLN 10 HN GLN 10 26.002 0.553 1.228
87 HA GLN 10 HA GLN 10 26.597 3.453 1.026
88 HB2 GLN 10 HB2 GLN 10 24.833 3.138 2.737
89 HB3 GLN 10 HB1 GLN 10 25.859 1.981 3.561
90 HG2 GLN 10 HG2 GLN 10 25.959 4.158 4.658
91 HG3 GLN 10 HG1 GLN 10 27.523 3.720 3.976
92 HE21 GLN 10 HE21 GLN 10 25.377 6.272 4.267
93 HE22 GLN 10 HE22 GLN 10 25.873 7.197 2.933
94 H LYS 11 HN LYS 11 22.484 1.500 -0.669
95 HA LYS 11 HA LYS 11 24.629 -0.289 -0.117
96 HB2 LYS 11 HB2 LYS 11 26.005 0.323 -2.163
97 HB3 LYS 11 HB1 LYS 11 24.733 -0.868 -2.357
98 HG2 LYS 11 HG2 LYS 11 24.829 0.746 -4.236
99 HG3 LYS 11 HG1 LYS 11 23.285 0.788 -3.403
100 HD2 LYS 11 HD2 LYS 11 23.876 2.807 -2.274
101 HD3 LYS 11 HD1 LYS 11 25.530 2.764 -2.892
102 HE2 LYS 11 HE2 LYS 11 22.975 3.046 -4.514
103 HE3 LYS 11 HE1 LYS 11 24.117 4.343 -4.166
104 HZ1 LYS 11 HZ1 LYS 11 24.333 2.132 -6.042
105 HZ2 LYS 11 HZ2 LYS 11 25.755 2.544 -5.207
106 HZ3 LYS 11 HZ3 LYS 11 24.948 3.709 -6.143
107 H PHE 12 HN PHE 12 20.306 -1.847 -2.164
108 HA PHE 12 HA PHE 12 20.439 0.788 -0.857
109 HB2 PHE 12 HB2 PHE 12 20.390 -1.832 0.657
110 HB3 PHE 12 HB1 PHE 12 20.547 -0.228 1.343
111 HD1 PHE 12 HD1 PHE 12 18.222 -2.162 -0.906
112 HD2 PHE 12 HD2 PHE 12 18.621 0.801 2.172
113 HE1 PHE 12 HE1 PHE 12 15.762 -1.923 -0.805
114 HE2 PHE 12 HE2 PHE 12 16.167 1.022 2.286
115 HZ PHE 12 HZ PHE 12 14.742 -0.337 0.798
116 H ILE 13 HN ILE 13 16.412 -0.808 -2.923
117 HA ILE 13 HA ILE 13 18.853 -2.196 -3.663
118 HB ILE 13 HB ILE 13 19.705 -0.390 -5.143
119 HG12 ILE 13 HG12 ILE 13 16.816 0.495 -5.140
120 HG13 ILE 13 HG11 ILE 13 18.159 1.394 -4.428
121 HG21 ILE 13 HG21 ILE 13 18.637 -2.540 -5.979
122 HG22 ILE 13 HG22 ILE 13 18.660 -1.200 -7.122
123 HG23 ILE 13 HG23 ILE 13 17.173 -1.598 -6.267
124 HD11 ILE 13 HD11 ILE 13 17.683 0.770 -7.347
125 HD12 ILE 13 HD12 ILE 13 19.243 1.328 -6.740
126 HD13 ILE 13 HD13 ILE 13 17.817 2.356 -6.585
127 H ARG 14 HN ARG 14 14.488 -2.957 -5.775
128 HA ARG 14 HA ARG 14 14.506 -1.800 -3.114
129 HB2 ARG 14 HB2 ARG 14 14.932 -4.768 -3.519
130 HB3 ARG 14 HB1 ARG 14 15.270 -3.898 -2.044
131 HG2 ARG 14 HG2 ARG 14 12.526 -4.188 -3.262
132 HG3 ARG 14 HG1 ARG 14 13.164 -5.185 -1.974
133 HD2 ARG 14 HD2 ARG 14 13.468 -3.185 -0.563
134 HD3 ARG 14 HD1 ARG 14 12.798 -2.179 -1.833
135 HE ARG 14 HE ARG 14 10.743 -2.822 -1.146
136 HH11 ARG 14 HH21 ARG 14 13.053 -5.169 -0.111
137 HH12 ARG 14 HH22 ARG 14 11.879 -6.192 0.646
138 HH21 ARG 14 HH11 ARG 14 9.196 -4.152 -0.152
139 HH22 ARG 14 HH12 ARG 14 9.699 -5.616 0.624
140 H VAL 15 HN VAL 15 11.469 -4.423 -5.784
141 HA VAL 15 HA VAL 15 12.834 -2.251 -7.122
142 HB VAL 15 HB VAL 15 11.362 -0.441 -6.264
143 HG11 VAL 15 HG11 VAL 15 9.728 -2.290 -8.016
144 HG12 VAL 15 HG12 VAL 15 11.143 -1.420 -8.615
145 HG13 VAL 15 HG13 VAL 15 9.752 -0.531 -8.010
146 HG21 VAL 15 HG21 VAL 15 10.025 -1.186 -4.527
147 HG22 VAL 15 HG22 VAL 15 9.837 -2.798 -5.216
148 HG23 VAL 15 HG23 VAL 15 8.878 -1.455 -5.834
149 H8 4FU 16 HAM 4FU 16 11.505 -7.660 -8.564
150 H9 4FU 16 HAI 4FU 16 12.467 -5.113 -9.920
151 HAI 4FU 16 HAJ 4FU 16 12.841 -6.773 -10.436
152 H112 4FU 16 HAE 4FU 16 10.451 -7.236 -10.774
153 H111 4FU 16 HAF 4FU 16 10.975 -5.842 -11.745
154 HAG 4FU 16 HAG 4FU 16 10.057 -4.299 -10.060
155 H12 4FU 16 HAH 4FU 16 8.809 -5.434 -10.616
156 HAL 4FU 16 HAL 4FU 16 9.160 -6.843 -8.652
157 HAK 4FU 16 HAK 4FU 16 8.781 -5.182 -8.146
158 H14 4FU 16 HAN 4FU 16 10.648 -6.127 -6.835
159 H GLY 17 HN GLY 17 14.125 -7.681 -9.070
160 HA2 GLY 17 HA2 GLY 17 16.149 -7.907 -7.984
161 HA3 GLY 17 HA1 GLY 17 15.906 -6.221 -7.531
162 H VAL 18 HN VAL 18 17.030 -6.851 -5.517
163 HA VAL 18 HA VAL 18 15.080 -7.812 -3.535
164 HB VAL 18 HB VAL 18 16.828 -9.217 -2.463
165 HG11 VAL 18 HG11 VAL 18 16.456 -9.952 -5.380
166 HG12 VAL 18 HG12 VAL 18 15.174 -10.097 -4.178
167 HG13 VAL 18 HG13 VAL 18 16.646 -11.052 -4.014
168 HG21 VAL 18 HG21 VAL 18 18.768 -7.943 -3.489
169 HG22 VAL 18 HG22 VAL 18 18.402 -8.747 -5.013
170 HG23 VAL 18 HG23 VAL 18 18.904 -9.696 -3.615
171 H THR 19 HN THR 19 16.173 -7.566 -1.234
172 HA THR 19 HA THR 19 17.187 -4.781 -1.133
173 HB THR 19 HB THR 19 15.801 -6.457 0.989
174 HG1 THR 19 HG1 THR 19 14.332 -5.995 -0.563
175 HG21 THR 19 HG21 THR 19 15.966 -4.668 2.417
176 HG22 THR 19 HG22 THR 19 15.755 -3.503 1.115
177 HG23 THR 19 HG23 THR 19 17.342 -4.207 1.412
178 H ILE 20 HN ILE 20 19.342 -4.827 -1.058
179 HA ILE 20 HA ILE 20 20.663 -6.337 1.094
180 HB ILE 20 HB ILE 20 21.612 -6.135 -1.777
181 HG12 ILE 20 HG12 ILE 20 20.737 -8.529 -0.120
182 HG13 ILE 20 HG11 ILE 20 19.772 -7.776 -1.386
183 HG21 ILE 20 HG21 ILE 20 23.488 -6.016 -0.274
184 HG22 ILE 20 HG22 ILE 20 23.428 -7.661 -0.895
185 HG23 ILE 20 HG23 ILE 20 22.838 -7.309 0.728
186 HD11 ILE 20 HD11 ILE 20 21.628 -8.250 -3.005
187 HD12 ILE 20 HD12 ILE 20 20.902 -9.707 -2.328
188 HD13 ILE 20 HD13 ILE 20 22.458 -9.135 -1.727
189 H ARG 21 HN ARG 21 22.248 -5.206 2.146
190 HA ARG 21 HA ARG 21 22.725 -2.415 1.267
191 HB2 ARG 21 HB2 ARG 21 23.065 -3.675 4.000
192 HB3 ARG 21 HB1 ARG 21 23.549 -2.040 3.600
193 HG2 ARG 21 HG2 ARG 21 21.422 -2.010 4.744
194 HG3 ARG 21 HG1 ARG 21 21.196 -1.490 3.092
195 HD2 ARG 21 HD2 ARG 21 20.292 -3.695 2.516
196 HD3 ARG 21 HD1 ARG 21 20.581 -4.254 4.161
197 HE ARG 21 HE ARG 21 19.031 -1.882 4.198
198 HH11 ARG 21 HH21 ARG 21 18.904 -5.254 3.432
199 HH12 ARG 21 HH22 ARG 21 17.183 -5.370 3.599
200 HH21 ARG 21 HH11 ARG 21 16.777 -2.021 4.419
201 HH22 ARG 21 HH12 ARG 21 15.977 -3.537 4.162
202 H GLU 22 HN GLU 22 24.695 -1.814 0.632
203 HA GLU 22 HA GLU 22 26.802 -3.760 0.525
204 HB2 GLU 22 HB2 GLU 22 26.417 -2.230 -1.369
205 HB3 GLU 22 HB1 GLU 22 26.811 -0.870 -0.324
206 HG2 GLU 22 HG2 GLU 22 28.743 -1.459 -1.680
207 HG3 GLU 22 HG1 GLU 22 29.069 -1.771 0.019
208 H LYS 23 HN LYS 23 28.867 -3.556 1.484
209 HA LYS 23 HA LYS 23 28.800 -2.554 4.147
210 HB2 LYS 23 HB2 LYS 23 31.092 -3.682 2.529
211 HB3 LYS 23 HB1 LYS 23 31.183 -3.289 4.236
212 HG2 LYS 23 HG2 LYS 23 30.831 -5.683 3.919
213 HG3 LYS 23 HG1 LYS 23 29.435 -4.963 4.706
214 HD2 LYS 23 HD2 LYS 23 28.194 -4.980 2.609
215 HD3 LYS 23 HD1 LYS 23 29.610 -5.577 1.739
216 HE2 LYS 23 HE2 LYS 23 28.186 -6.974 4.005
217 HE3 LYS 23 HE1 LYS 23 28.026 -7.384 2.299
218 HZ1 LYS 23 HZ1 LYS 23 30.225 -7.883 4.139
219 HZ2 LYS 23 HZ2 LYS 23 30.657 -7.449 2.554
220 HZ3 LYS 23 HZ3 LYS 23 29.677 -8.809 2.827
221 HN1 NH2 24 H2 LYS 23 29.983 0.688 3.711
222 HN2 NH2 24 H1 LYS 23 28.876 -0.354 4.459
Start of MODEL 3
1 H1 ACE 0 HA2 ACE 0 11.512 0.674 1.446
2 H2 ACE 0 HA3 ACE 0 13.043 0.785 2.316
3 H3 ACE 0 HA1 ACE 0 12.855 -0.382 1.006
4 H GLU 1 HN GLU 1 11.897 0.880 -1.066
5 HA GLU 1 HA GLU 1 12.438 2.239 -2.827
6 HB2 GLU 1 HB2 GLU 1 13.001 4.223 -0.609
7 HB3 GLU 1 HB1 GLU 1 12.795 4.621 -2.315
8 HG2 GLU 1 HG2 GLU 1 10.513 3.686 -2.262
9 HG3 GLU 1 HG1 GLU 1 10.715 3.288 -0.556
10 H ARG 2 HN ARG 2 14.643 4.387 -1.577
11 HA ARG 2 HA ARG 2 16.948 2.739 -2.468
12 HB2 ARG 2 HB2 ARG 2 16.629 5.751 -2.705
13 HB3 ARG 2 HB1 ARG 2 18.070 4.855 -3.125
14 HG2 ARG 2 HG2 ARG 2 16.900 5.388 -5.164
15 HG3 ARG 2 HG1 ARG 2 16.739 3.662 -4.894
16 HD2 ARG 2 HD2 ARG 2 14.459 3.972 -4.090
17 HD3 ARG 2 HD1 ARG 2 14.618 5.713 -4.187
18 HE ARG 2 HE ARG 2 15.167 4.612 -6.714
19 HH11 ARG 2 HH21 ARG 2 12.577 4.940 -4.440
20 HH12 ARG 2 HH22 ARG 2 11.336 4.970 -5.649
21 HH21 ARG 2 HH11 ARG 2 13.546 4.653 -8.302
22 HH22 ARG 2 HH12 ARG 2 11.885 4.808 -7.835
23 H PHE 3 HN PHE 3 19.039 3.343 -1.526
24 HA PHE 3 HA PHE 3 18.954 4.786 1.026
25 HB2 PHE 3 HB2 PHE 3 18.252 2.433 1.498
26 HB3 PHE 3 HB1 PHE 3 19.752 1.873 0.803
27 HD1 PHE 3 HD2 PHE 3 20.604 4.827 2.566
28 HD2 PHE 3 HD1 PHE 3 19.469 0.735 3.191
29 HE1 PHE 3 HE2 PHE 3 21.632 4.882 4.803
30 HE2 PHE 3 HE1 PHE 3 20.503 0.800 5.437
31 HZ PHE 3 HZ PHE 3 21.588 2.873 6.243
32 H TYR 4 HN TYR 4 20.504 6.250 0.143
33 HA TYR 4 HA TYR 4 23.173 5.107 -0.463
34 HB2 TYR 4 HB2 TYR 4 21.867 7.510 -1.705
35 HB3 TYR 4 HB1 TYR 4 23.585 7.162 -1.851
36 HD1 TYR 4 HD1 TYR 4 20.300 5.320 -2.231
37 HD2 TYR 4 HD2 TYR 4 24.265 6.034 -3.751
38 HE1 TYR 4 HE1 TYR 4 19.853 3.806 -4.151
39 HE2 TYR 4 HE2 TYR 4 23.797 4.541 -5.665
40 HH TYR 4 HH TYR 4 20.636 2.939 -6.030
41 H GLU 5 HN GLU 5 23.648 5.308 1.835
42 HA GLU 5 HA GLU 5 24.526 8.078 2.493
43 HB2 GLU 5 HB2 GLU 5 23.623 6.016 4.515
44 HB3 GLU 5 HB1 GLU 5 24.444 7.507 4.914
45 HG2 GLU 5 HG2 GLU 5 22.090 7.818 5.311
46 HG3 GLU 5 HG1 GLU 5 22.536 8.778 3.915
47 H LYS 6 HN LYS 6 26.337 8.027 4.155
48 HA LYS 6 HA LYS 6 28.310 5.975 3.324
49 HB2 LYS 6 HB2 LYS 6 30.000 7.637 3.948
50 HB3 LYS 6 HB1 LYS 6 28.926 8.270 2.704
51 HG2 LYS 6 HG2 LYS 6 27.584 9.396 4.483
52 HG3 LYS 6 HG1 LYS 6 28.736 8.832 5.684
53 HD2 LYS 6 HD2 LYS 6 29.382 10.681 3.366
54 HD3 LYS 6 HD1 LYS 6 29.169 11.179 5.039
55 HE2 LYS 6 HE2 LYS 6 31.353 9.337 3.995
56 HE3 LYS 6 HE1 LYS 6 31.546 11.000 4.516
57 HZ1 LYS 6 HZ1 LYS 6 30.744 8.699 6.197
58 HZ2 LYS 6 HZ2 LYS 6 30.672 10.316 6.714
59 HZ3 LYS 6 HZ3 LYS 6 32.166 9.615 6.313
60 HAC 4G6 7 HAC 4G6 7 31.895 6.092 8.251
61 HAB 4G6 7 HAB 4G6 7 31.673 6.241 6.491
62 HAA 4G6 7 HAA 4G6 7 30.381 6.761 7.598
63 HAF 4G6 7 HAF 4G6 7 31.704 4.029 9.123
64 HAD 4G6 7 HAD 4G6 7 30.317 2.976 8.757
65 HAE 4G6 7 HAE 4G6 7 30.052 4.578 9.484
66 HAL 4G6 7 HAL 4G6 7 32.163 4.126 6.051
67 HAH 4G6 7 HAH 4G6 7 28.596 5.420 7.704
68 HAG 4G6 7 HAG 4G6 7 28.631 3.758 7.082
69 HAI 4G6 7 HAI 4G6 7 29.389 4.798 4.877
70 HA DPR 8 HA PRO 8 32.720 2.230 5.056
71 HB2 DPR 8 HB2 PRO 8 32.581 0.129 6.041
72 HB3 DPR 8 HB1 PRO 8 30.814 0.055 5.877
73 HG2 DPR 8 HG2 PRO 8 32.931 -0.549 3.873
74 HG3 DPR 8 HG1 PRO 8 31.336 -1.288 4.085
75 HD2 DPR 8 HD2 PRO 8 31.983 0.654 2.151
76 HD3 DPR 8 HD1 PRO 8 30.334 0.222 2.656
77 H VAL 9 HN VAL 9 28.212 3.969 1.723
78 HA VAL 9 HA VAL 9 30.372 2.051 1.217
79 HB VAL 9 HB VAL 9 30.388 5.069 1.447
80 HG11 VAL 9 HG11 VAL 9 32.594 4.271 1.868
81 HG12 VAL 9 HG12 VAL 9 32.573 4.740 0.168
82 HG13 VAL 9 HG13 VAL 9 32.464 3.037 0.614
83 HG21 VAL 9 HG21 VAL 9 29.009 4.124 -0.439
84 HG22 VAL 9 HG22 VAL 9 30.459 3.307 -1.024
85 HG23 VAL 9 HG23 VAL 9 30.396 5.068 -0.985
86 H GLN 10 HN GLN 10 26.130 0.684 0.183
87 HA GLN 10 HA GLN 10 26.215 3.330 1.460
88 HB2 GLN 10 HB2 GLN 10 26.092 2.451 3.710
89 HB3 GLN 10 HB1 GLN 10 24.634 2.012 2.836
90 HG2 GLN 10 HG2 GLN 10 27.001 0.189 3.361
91 HG3 GLN 10 HG1 GLN 10 25.462 0.140 4.197
92 HE21 GLN 10 HE21 GLN 10 24.064 -1.388 3.407
93 HE22 GLN 10 HE22 GLN 10 24.065 -1.996 1.824
94 H LYS 11 HN LYS 11 22.295 1.905 -1.206
95 HA LYS 11 HA LYS 11 24.790 0.334 -1.490
96 HB2 LYS 11 HB2 LYS 11 24.146 1.438 -3.585
97 HB3 LYS 11 HB1 LYS 11 24.071 2.996 -2.775
98 HG2 LYS 11 HG2 LYS 11 26.499 2.718 -2.169
99 HG3 LYS 11 HG1 LYS 11 26.518 1.249 -3.136
100 HD2 LYS 11 HD2 LYS 11 25.888 4.007 -4.211
101 HD3 LYS 11 HD1 LYS 11 27.437 3.194 -4.366
102 HE2 LYS 11 HE2 LYS 11 26.187 2.939 -6.438
103 HE3 LYS 11 HE1 LYS 11 26.314 1.372 -5.650
104 HZ1 LYS 11 HZ1 LYS 11 23.990 2.818 -4.837
105 HZ2 LYS 11 HZ2 LYS 11 24.125 1.240 -5.451
106 HZ3 LYS 11 HZ3 LYS 11 24.024 2.564 -6.512
107 H PHE 12 HN PHE 12 20.041 -1.571 -2.538
108 HA PHE 12 HA PHE 12 20.482 1.032 -1.185
109 HB2 PHE 12 HB2 PHE 12 20.485 -1.783 -0.088
110 HB3 PHE 12 HB1 PHE 12 20.917 -0.360 0.842
111 HD1 PHE 12 HD2 PHE 12 18.355 0.904 -1.202
112 HD2 PHE 12 HD1 PHE 12 18.923 -1.852 2.055
113 HE1 PHE 12 HE2 PHE 12 16.044 1.221 -0.540
114 HE2 PHE 12 HE1 PHE 12 16.558 -1.496 2.714
115 HZ PHE 12 HZ PHE 12 15.130 0.048 1.391
116 H ILE 13 HN ILE 13 16.739 -0.149 -3.750
117 HA ILE 13 HA ILE 13 19.240 -1.466 -4.695
118 HB ILE 13 HB ILE 13 18.185 1.263 -5.485
119 HG12 ILE 13 HG12 ILE 13 16.952 -0.558 -6.586
120 HG13 ILE 13 HG11 ILE 13 17.978 0.282 -7.743
121 HG21 ILE 13 HG21 ILE 13 20.686 -0.245 -6.295
122 HG22 ILE 13 HG22 ILE 13 20.620 1.239 -5.347
123 HG23 ILE 13 HG23 ILE 13 20.130 1.253 -7.039
124 HD11 ILE 13 HD11 ILE 13 18.561 -1.863 -8.305
125 HD12 ILE 13 HD12 ILE 13 18.167 -2.503 -6.715
126 HD13 ILE 13 HD13 ILE 13 19.699 -1.678 -6.974
127 H ARG 14 HN ARG 14 15.631 -4.399 -3.471
128 HA ARG 14 HA ARG 14 14.752 -1.693 -4.317
129 HB2 ARG 14 HB2 ARG 14 15.998 -2.414 -1.648
130 HB3 ARG 14 HB1 ARG 14 15.508 -0.814 -2.167
131 HG2 ARG 14 HG2 ARG 14 13.643 -3.158 -1.749
132 HG3 ARG 14 HG1 ARG 14 13.882 -1.839 -0.612
133 HD2 ARG 14 HD2 ARG 14 13.059 -0.244 -2.338
134 HD3 ARG 14 HD1 ARG 14 12.745 -1.599 -3.412
135 HE ARG 14 HE ARG 14 11.492 -2.123 -0.967
136 HH11 ARG 14 HH21 ARG 14 11.335 0.043 -3.663
137 HH12 ARG 14 HH22 ARG 14 9.628 0.306 -3.529
138 HH21 ARG 14 HH11 ARG 14 9.252 -1.780 -0.786
139 HH22 ARG 14 HH12 ARG 14 8.449 -0.724 -1.901
140 H VAL 15 HN VAL 15 11.577 -5.713 -4.821
141 HA VAL 15 HA VAL 15 14.332 -6.115 -3.831
142 HB VAL 15 HB VAL 15 14.996 -5.864 -6.182
143 HG11 VAL 15 HG11 VAL 15 13.350 -7.819 -7.088
144 HG12 VAL 15 HG12 VAL 15 12.978 -7.915 -5.371
145 HG13 VAL 15 HG13 VAL 15 14.634 -8.132 -5.926
146 HG21 VAL 15 HG21 VAL 15 13.441 -4.303 -7.050
147 HG22 VAL 15 HG22 VAL 15 12.054 -5.260 -6.529
148 HG23 VAL 15 HG23 VAL 15 13.047 -5.808 -7.879
149 H8 4FU 16 HAM 4FU 16 8.837 -7.949 -3.508
150 H9 4FU 16 HAI 4FU 16 10.973 -6.995 -5.454
151 HAI 4FU 16 HAJ 4FU 16 9.516 -7.923 -5.865
152 H112 4FU 16 HAE 4FU 16 8.078 -6.126 -5.035
153 H111 4FU 16 HAF 4FU 16 9.186 -5.515 -6.284
154 HAG 4FU 16 HAG 4FU 16 10.666 -4.583 -4.554
155 H12 4FU 16 HAH 4FU 16 9.009 -3.988 -4.341
156 HAL 4FU 16 HAL 4FU 16 8.576 -5.642 -2.610
157 HAK 4FU 16 HAK 4FU 16 10.016 -4.693 -2.185
158 H14 4FU 16 HAN 4FU 16 10.320 -7.106 -1.764
159 H GLY 17 HN GLY 17 11.240 -8.957 -5.547
160 HA2 GLY 17 HA2 GLY 17 11.522 -11.514 -4.472
161 HA3 GLY 17 HA1 GLY 17 12.681 -10.765 -5.571
162 H VAL 18 HN VAL 18 14.088 -9.031 -4.482
163 HA VAL 18 HA VAL 18 14.526 -9.078 -1.715
164 HB VAL 18 HB VAL 18 15.342 -11.364 -2.089
165 HG11 VAL 18 HG11 VAL 18 15.972 -10.961 -4.495
166 HG12 VAL 18 HG12 VAL 18 17.203 -11.816 -3.566
167 HG13 VAL 18 HG13 VAL 18 17.400 -10.099 -3.920
168 HG21 VAL 18 HG21 VAL 18 16.484 -9.718 -0.474
169 HG22 VAL 18 HG22 VAL 18 17.749 -9.576 -1.695
170 HG23 VAL 18 HG23 VAL 18 17.418 -11.138 -0.946
171 H THR 19 HN THR 19 16.430 -7.867 -1.044
172 HA THR 19 HA THR 19 17.467 -6.089 -3.187
173 HB THR 19 HB THR 19 15.838 -4.898 -1.803
174 HG1 THR 19 HG1 THR 19 18.452 -4.133 -1.050
175 HG21 THR 19 HG21 THR 19 17.654 -5.624 0.511
176 HG22 THR 19 HG22 THR 19 16.035 -6.268 0.238
177 HG23 THR 19 HG23 THR 19 16.253 -4.556 0.593
178 H ILE 20 HN ILE 20 19.534 -5.167 -2.833
179 HA ILE 20 HA ILE 20 21.301 -6.822 -1.139
180 HB ILE 20 HB ILE 20 21.900 -5.255 -3.661
181 HG12 ILE 20 HG12 ILE 20 21.731 -8.244 -3.142
182 HG13 ILE 20 HG11 ILE 20 20.511 -7.297 -3.994
183 HG21 ILE 20 HG21 ILE 20 23.831 -5.330 -2.184
184 HG22 ILE 20 HG22 ILE 20 24.088 -6.473 -3.496
185 HG23 ILE 20 HG23 ILE 20 23.594 -7.053 -1.907
186 HD11 ILE 20 HD11 ILE 20 22.299 -6.615 -5.635
187 HD12 ILE 20 HD12 ILE 20 21.924 -8.338 -5.654
188 HD13 ILE 20 HD13 ILE 20 23.381 -7.762 -4.845
189 H ARG 21 HN ARG 21 22.260 -5.877 0.506
190 HA ARG 21 HA ARG 21 22.397 -2.917 0.657
191 HB2 ARG 21 HB2 ARG 21 20.880 -3.979 2.273
192 HB3 ARG 21 HB1 ARG 21 22.173 -5.047 2.807
193 HG2 ARG 21 HG2 ARG 21 23.450 -3.142 3.615
194 HG3 ARG 21 HG1 ARG 21 22.207 -2.028 3.029
195 HD2 ARG 21 HD2 ARG 21 21.793 -4.202 5.096
196 HD3 ARG 21 HD1 ARG 21 21.978 -2.488 5.457
197 HE ARG 21 HE ARG 21 19.876 -2.782 3.608
198 HH11 ARG 21 HH21 ARG 21 20.719 -3.557 6.872
199 HH12 ARG 21 HH22 ARG 21 19.087 -3.521 7.449
200 HH21 ARG 21 HH11 ARG 21 17.731 -2.733 4.357
201 HH22 ARG 21 HH12 ARG 21 17.395 -3.055 6.025
202 H GLU 22 HN GLU 22 24.481 -2.908 -0.442
203 HA GLU 22 HA GLU 22 26.720 -3.273 1.372
204 HB2 GLU 22 HB2 GLU 22 26.674 -4.867 -1.211
205 HB3 GLU 22 HB1 GLU 22 28.038 -4.726 -0.115
206 HG2 GLU 22 HG2 GLU 22 26.688 -5.817 1.671
207 HG3 GLU 22 HG1 GLU 22 25.380 -6.028 0.510
208 H LYS 23 HN LYS 23 28.841 -2.559 0.266
209 HA LYS 23 HA LYS 23 30.009 -0.895 -0.774
210 HB2 LYS 23 HB2 LYS 23 28.056 -1.559 -2.978
211 HB3 LYS 23 HB1 LYS 23 29.403 -0.453 -3.182
212 HG2 LYS 23 HG2 LYS 23 29.929 -2.712 -4.012
213 HG3 LYS 23 HG1 LYS 23 30.980 -2.252 -2.681
214 HD2 LYS 23 HD2 LYS 23 29.731 -3.615 -1.144
215 HD3 LYS 23 HD1 LYS 23 28.508 -3.977 -2.369
216 HE2 LYS 23 HE2 LYS 23 30.110 -5.828 -2.150
217 HE3 LYS 23 HE1 LYS 23 30.262 -5.059 -3.730
218 HZ1 LYS 23 HZ1 LYS 23 32.238 -4.079 -3.173
219 HZ2 LYS 23 HZ2 LYS 23 32.365 -5.538 -2.312
220 HZ3 LYS 23 HZ3 LYS 23 31.926 -4.108 -1.507
221 HN1 NH2 24 H2 LYS 23 28.601 2.278 -0.526
222 HN2 NH2 24 H1 LYS 23 29.991 1.310 -0.496
Start of MODEL 4
1 H1 ACE 0 HA2 ACE 0 11.155 -2.136 1.420
2 H2 ACE 0 HA3 ACE 0 12.744 -2.079 2.184
3 H3 ACE 0 HA1 ACE 0 12.550 -2.852 0.610
4 H GLU 1 HN GLU 1 12.902 0.149 2.315
5 HA GLU 1 HA GLU 1 12.383 1.867 0.078
6 HB2 GLU 1 HB2 GLU 1 13.313 3.642 1.517
7 HB3 GLU 1 HB1 GLU 1 12.098 2.682 2.361
8 HG2 GLU 1 HG2 GLU 1 13.880 1.351 3.421
9 HG3 GLU 1 HG1 GLU 1 15.099 2.304 2.578
10 H ARG 2 HN ARG 2 14.489 3.659 0.130
11 HA ARG 2 HA ARG 2 16.634 2.098 -1.197
12 HB2 ARG 2 HB2 ARG 2 15.945 5.033 -1.525
13 HB3 ARG 2 HB1 ARG 2 17.196 4.167 -2.390
14 HG2 ARG 2 HG2 ARG 2 15.304 4.456 -3.862
15 HG3 ARG 2 HG1 ARG 2 15.417 2.754 -3.443
16 HD2 ARG 2 HD2 ARG 2 13.585 2.976 -1.859
17 HD3 ARG 2 HD1 ARG 2 13.549 4.719 -2.078
18 HE ARG 2 HE ARG 2 12.244 4.326 -3.941
19 HH11 ARG 2 HH21 ARG 2 14.064 1.496 -3.150
20 HH12 ARG 2 HH22 ARG 2 13.467 0.574 -4.489
21 HH21 ARG 2 HH11 ARG 2 11.457 3.126 -5.692
22 HH22 ARG 2 HH12 ARG 2 11.993 1.495 -5.927
23 H PHE 3 HN PHE 3 18.809 2.589 -0.745
24 HA PHE 3 HA PHE 3 19.412 4.722 1.147
25 HB2 PHE 3 HB2 PHE 3 18.936 2.716 2.569
26 HB3 PHE 3 HB1 PHE 3 20.226 1.857 1.745
27 HD1 PHE 3 HD2 PHE 3 21.353 5.255 2.010
28 HD2 PHE 3 HD1 PHE 3 20.690 1.716 4.381
29 HE1 PHE 3 HE2 PHE 3 22.908 6.095 3.701
30 HE2 PHE 3 HE1 PHE 3 22.266 2.590 6.080
31 HZ PHE 3 HZ PHE 3 23.377 4.774 5.738
32 H TYR 4 HN TYR 4 20.844 5.777 -0.034
33 HA TYR 4 HA TYR 4 22.438 4.598 -2.086
34 HB2 TYR 4 HB2 TYR 4 21.541 6.844 -2.277
35 HB3 TYR 4 HB1 TYR 4 22.470 7.362 -0.876
36 HD1 TYR 4 HD1 TYR 4 23.066 5.565 -4.133
37 HD2 TYR 4 HD2 TYR 4 24.475 8.479 -1.314
38 HE1 TYR 4 HE1 TYR 4 24.978 6.091 -5.624
39 HE2 TYR 4 HE2 TYR 4 26.389 8.993 -2.797
40 HH TYR 4 HH TYR 4 26.533 8.315 -5.907
41 H GLU 5 HN GLU 5 24.676 4.984 -2.356
42 HA GLU 5 HA GLU 5 26.397 3.729 -0.632
43 HB2 GLU 5 HB2 GLU 5 26.987 5.821 -2.724
44 HB3 GLU 5 HB1 GLU 5 28.209 4.827 -1.954
45 HG2 GLU 5 HG2 GLU 5 27.609 3.936 -4.155
46 HG3 GLU 5 HG1 GLU 5 27.180 2.813 -2.896
47 H LYS 6 HN LYS 6 24.928 6.247 0.633
48 HA LYS 6 HA LYS 6 27.366 7.670 1.530
49 HB2 LYS 6 HB2 LYS 6 25.830 9.408 2.306
50 HB3 LYS 6 HB1 LYS 6 25.671 9.118 0.578
51 HG2 LYS 6 HG2 LYS 6 23.719 7.620 1.068
52 HG3 LYS 6 HG1 LYS 6 23.839 8.073 2.759
53 HD2 LYS 6 HD2 LYS 6 23.311 9.991 0.473
54 HD3 LYS 6 HD1 LYS 6 22.102 9.389 1.600
55 HE2 LYS 6 HE2 LYS 6 24.495 11.124 2.310
56 HE3 LYS 6 HE1 LYS 6 22.816 11.626 2.259
57 HZ1 LYS 6 HZ1 LYS 6 23.038 11.150 4.456
58 HZ2 LYS 6 HZ2 LYS 6 24.159 9.898 4.204
59 HZ3 LYS 6 HZ3 LYS 6 22.510 9.641 3.887
60 HAC 4G6 7 HAC 4G6 7 27.850 8.871 6.406
61 HAB 4G6 7 HAB 4G6 7 29.627 8.812 6.484
62 HAA 4G6 7 HAA 4G6 7 28.806 8.859 4.905
63 HAF 4G6 7 HAF 4G6 7 29.752 6.312 7.673
64 HAD 4G6 7 HAD 4G6 7 28.190 5.497 7.412
65 HAE 4G6 7 HAE 4G6 7 28.233 7.178 8.001
66 HAL 4G6 7 HAL 4G6 7 30.291 7.014 4.479
67 HAH 4G6 7 HAH 4G6 7 26.547 6.946 5.798
68 HAG 4G6 7 HAG 4G6 7 27.323 5.436 5.271
69 HAI 4G6 7 HAI 4G6 7 28.166 7.358 3.430
70 HA DPR 8 HA PRO 8 31.903 5.683 3.977
71 HB2 DPR 8 HB2 PRO 8 33.358 4.717 5.491
72 HB3 DPR 8 HB1 PRO 8 32.117 3.627 6.140
73 HG2 DPR 8 HG2 PRO 8 33.901 3.280 3.781
74 HG3 DPR 8 HG1 PRO 8 33.272 2.068 4.908
75 HD2 DPR 8 HD2 PRO 8 32.274 2.437 2.366
76 HD3 DPR 8 HD1 PRO 8 31.310 1.779 3.701
77 H VAL 9 HN VAL 9 27.627 3.705 1.896
78 HA VAL 9 HA VAL 9 30.053 2.105 1.716
79 HB VAL 9 HB VAL 9 29.678 4.528 -0.076
80 HG11 VAL 9 HG11 VAL 9 31.993 2.604 0.065
81 HG12 VAL 9 HG12 VAL 9 31.977 4.185 0.850
82 HG13 VAL 9 HG13 VAL 9 31.882 4.070 -0.905
83 HG21 VAL 9 HG21 VAL 9 28.461 2.692 -1.022
84 HG22 VAL 9 HG22 VAL 9 29.790 1.579 -0.705
85 HG23 VAL 9 HG23 VAL 9 29.967 2.847 -1.918
86 H GLN 10 HN GLN 10 25.443 -0.150 0.705
87 HA GLN 10 HA GLN 10 25.611 2.769 1.224
88 HB2 GLN 10 HB2 GLN 10 26.165 0.396 3.007
89 HB3 GLN 10 HB1 GLN 10 26.137 2.089 3.500
90 HG2 GLN 10 HG2 GLN 10 23.768 2.253 2.865
91 HG3 GLN 10 HG1 GLN 10 23.787 0.574 2.326
92 HE21 GLN 10 HE21 GLN 10 25.824 0.693 4.964
93 HE22 GLN 10 HE22 GLN 10 24.716 0.277 6.181
94 H LYS 11 HN LYS 11 21.994 0.827 -1.459
95 HA LYS 11 HA LYS 11 24.371 -0.879 -1.022
96 HB2 LYS 11 HB2 LYS 11 23.607 -0.483 -3.391
97 HB3 LYS 11 HB1 LYS 11 23.854 1.228 -3.135
98 HG2 LYS 11 HG2 LYS 11 25.794 0.313 -4.291
99 HG3 LYS 11 HG1 LYS 11 26.236 0.840 -2.683
100 HD2 LYS 11 HD2 LYS 11 27.319 -1.287 -3.253
101 HD3 LYS 11 HD1 LYS 11 26.252 -1.483 -1.884
102 HE2 LYS 11 HE2 LYS 11 24.525 -2.460 -3.360
103 HE3 LYS 11 HE1 LYS 11 25.571 -2.200 -4.756
104 HZ1 LYS 11 HZ1 LYS 11 25.643 -4.478 -3.836
105 HZ2 LYS 11 HZ2 LYS 11 26.286 -3.851 -2.394
106 HZ3 LYS 11 HZ3 LYS 11 27.158 -3.714 -3.846
107 H PHE 12 HN PHE 12 20.000 -2.285 -1.298
108 HA PHE 12 HA PHE 12 20.207 0.426 -0.110
109 HB2 PHE 12 HB2 PHE 12 20.358 -2.178 1.421
110 HB3 PHE 12 HB1 PHE 12 20.690 -0.589 2.086
111 HD1 PHE 12 HD1 PHE 12 17.993 -2.396 0.164
112 HD2 PHE 12 HD2 PHE 12 18.950 0.490 3.202
113 HE1 PHE 12 HE1 PHE 12 15.585 -2.069 0.614
114 HE2 PHE 12 HE2 PHE 12 16.536 0.802 3.659
115 HZ PHE 12 HZ PHE 12 14.860 -0.475 2.361
116 H ILE 13 HN ILE 13 16.117 -1.167 -1.957
117 HA ILE 13 HA ILE 13 18.468 -2.678 -2.710
118 HB ILE 13 HB ILE 13 19.367 -1.014 -4.290
119 HG12 ILE 13 HG12 ILE 13 18.024 0.944 -3.690
120 HG13 ILE 13 HG11 ILE 13 17.844 0.580 -5.396
121 HG21 ILE 13 HG21 ILE 13 18.190 -3.109 -5.025
122 HG22 ILE 13 HG22 ILE 13 18.214 -1.814 -6.220
123 HG23 ILE 13 HG23 ILE 13 16.748 -2.131 -5.297
124 HD11 ILE 13 HD11 ILE 13 15.747 -0.824 -4.515
125 HD12 ILE 13 HD12 ILE 13 15.639 0.898 -4.846
126 HD13 ILE 13 HD13 ILE 13 15.847 0.335 -3.189
127 H ARG 14 HN ARG 14 13.967 -2.690 -4.641
128 HA ARG 14 HA ARG 14 14.187 -2.295 -1.813
129 HB2 ARG 14 HB2 ARG 14 13.016 -4.478 -2.036
130 HB3 ARG 14 HB1 ARG 14 14.376 -5.025 -3.005
131 HG2 ARG 14 HG2 ARG 14 15.877 -4.777 -1.156
132 HG3 ARG 14 HG1 ARG 14 14.609 -4.043 -0.181
133 HD2 ARG 14 HD2 ARG 14 14.809 -6.369 0.469
134 HD3 ARG 14 HD1 ARG 14 13.287 -6.102 -0.372
135 HE ARG 14 HE ARG 14 15.436 -7.821 -1.225
136 HH11 ARG 14 HH21 ARG 14 12.519 -6.180 -2.099
137 HH12 ARG 14 HH22 ARG 14 12.418 -6.916 -3.663
138 HH21 ARG 14 HH11 ARG 14 15.297 -8.802 -3.252
139 HH22 ARG 14 HH12 ARG 14 13.988 -8.402 -4.315
140 H VAL 15 HN VAL 15 11.197 -4.471 -4.801
141 HA VAL 15 HA VAL 15 11.983 -1.790 -5.555
142 HB VAL 15 HB VAL 15 9.641 -2.049 -3.622
143 HG11 VAL 15 HG11 VAL 15 11.446 0.240 -4.403
144 HG12 VAL 15 HG12 VAL 15 11.093 -0.364 -2.786
145 HG13 VAL 15 HG13 VAL 15 9.859 0.515 -3.688
146 HG21 VAL 15 HG21 VAL 15 8.578 -0.389 -5.259
147 HG22 VAL 15 HG22 VAL 15 8.699 -2.041 -5.834
148 HG23 VAL 15 HG23 VAL 15 9.852 -0.821 -6.391
149 H8 4FU 16 HAM 4FU 16 10.982 -6.165 -5.344
150 H9 4FU 16 HAI 4FU 16 11.254 -8.339 -6.473
151 HAI 4FU 16 HAJ 4FU 16 9.569 -7.779 -6.552
152 H112 4FU 16 HAE 4FU 16 10.279 -8.657 -8.731
153 H111 4FU 16 HAF 4FU 16 11.642 -7.516 -8.761
154 HAG 4FU 16 HAG 4FU 16 9.757 -6.654 -10.098
155 H12 4FU 16 HAH 4FU 16 8.688 -6.797 -8.684
156 HAL 4FU 16 HAL 4FU 16 9.482 -4.483 -8.968
157 HAK 4FU 16 HAK 4FU 16 11.170 -5.037 -8.876
158 H14 4FU 16 HAN 4FU 16 9.071 -5.376 -6.703
159 H GLY 17 HN GLY 17 12.496 -4.111 -6.131
160 HA2 GLY 17 HA2 GLY 17 14.427 -4.233 -8.047
161 HA3 GLY 17 HA1 GLY 17 14.754 -3.650 -6.411
162 H VAL 18 HN VAL 18 15.545 -5.128 -4.827
163 HA VAL 18 HA VAL 18 15.905 -7.833 -5.345
164 HB VAL 18 HB VAL 18 17.550 -7.149 -7.023
165 HG11 VAL 18 HG11 VAL 18 18.637 -5.496 -4.748
166 HG12 VAL 18 HG12 VAL 18 18.266 -5.003 -6.397
167 HG13 VAL 18 HG13 VAL 18 19.684 -5.998 -6.073
168 HG21 VAL 18 HG21 VAL 18 17.959 -9.135 -5.414
169 HG22 VAL 18 HG22 VAL 18 19.160 -8.092 -4.651
170 HG23 VAL 18 HG23 VAL 18 19.331 -8.541 -6.346
171 H THR 19 HN THR 19 17.407 -8.912 -3.734
172 HA THR 19 HA THR 19 17.321 -7.413 -1.174
173 HB THR 19 HB THR 19 15.953 -9.480 -1.232
174 HG1 THR 19 HG1 THR 19 17.989 -8.930 0.447
175 HG21 THR 19 HG21 THR 19 17.950 -10.562 -2.807
176 HG22 THR 19 HG22 THR 19 16.719 -11.509 -1.977
177 HG23 THR 19 HG23 THR 19 18.298 -11.278 -1.236
178 H ILE 20 HN ILE 20 19.340 -6.382 -1.429
179 HA ILE 20 HA ILE 20 21.580 -7.935 -0.548
180 HB ILE 20 HB ILE 20 21.626 -8.502 -2.951
181 HG12 ILE 20 HG12 ILE 20 23.939 -7.757 -3.431
182 HG13 ILE 20 HG11 ILE 20 23.829 -6.568 -2.139
183 HG21 ILE 20 HG21 ILE 20 21.825 -6.832 -4.644
184 HG22 ILE 20 HG22 ILE 20 22.087 -5.557 -3.454
185 HG23 ILE 20 HG23 ILE 20 20.499 -6.309 -3.605
186 HD11 ILE 20 HD11 ILE 20 24.934 -8.921 -1.681
187 HD12 ILE 20 HD12 ILE 20 23.262 -9.453 -1.508
188 HD13 ILE 20 HD13 ILE 20 23.899 -8.185 -0.461
189 H ARG 21 HN ARG 21 23.317 -6.620 0.167
190 HA ARG 21 HA ARG 21 23.231 -3.767 -0.310
191 HB2 ARG 21 HB2 ARG 21 22.972 -3.137 2.041
192 HB3 ARG 21 HB1 ARG 21 21.575 -4.052 1.489
193 HG2 ARG 21 HG2 ARG 21 22.490 -6.092 2.510
194 HG3 ARG 21 HG1 ARG 21 23.888 -5.179 3.078
195 HD2 ARG 21 HD2 ARG 21 20.996 -4.652 3.822
196 HD3 ARG 21 HD1 ARG 21 22.217 -5.366 4.870
197 HE ARG 21 HE ARG 21 21.831 -2.583 4.398
198 HH11 ARG 21 HH21 ARG 21 24.272 -5.004 4.844
199 HH12 ARG 21 HH22 ARG 21 25.457 -3.886 5.434
200 HH21 ARG 21 HH11 ARG 21 23.381 -1.129 5.175
201 HH22 ARG 21 HH12 ARG 21 24.953 -1.699 5.623
202 H GLU 22 HN GLU 22 25.095 -2.631 0.582
203 HA GLU 22 HA GLU 22 27.177 -4.182 1.792
204 HB2 GLU 22 HB2 GLU 22 27.415 -4.937 -0.498
205 HB3 GLU 22 HB1 GLU 22 27.455 -3.279 -1.070
206 HG2 GLU 22 HG2 GLU 22 29.708 -4.218 -1.000
207 HG3 GLU 22 HG1 GLU 22 29.556 -2.901 0.146
208 H LYS 23 HN LYS 23 29.061 -2.974 2.361
209 HA LYS 23 HA LYS 23 28.489 -0.177 2.877
210 HB2 LYS 23 HB2 LYS 23 30.728 -1.963 3.865
211 HB3 LYS 23 HB1 LYS 23 30.476 -0.299 4.354
212 HG2 LYS 23 HG2 LYS 23 29.636 -1.785 6.075
213 HG3 LYS 23 HG1 LYS 23 28.280 -0.959 5.321
214 HD2 LYS 23 HD2 LYS 23 27.743 -2.939 4.016
215 HD3 LYS 23 HD1 LYS 23 29.186 -3.765 4.603
216 HE2 LYS 23 HE2 LYS 23 28.295 -3.609 6.896
217 HE3 LYS 23 HE1 LYS 23 26.855 -2.801 6.274
218 HZ1 LYS 23 HZ1 LYS 23 26.022 -4.835 6.028
219 HZ2 LYS 23 HZ2 LYS 23 27.531 -5.581 6.259
220 HZ3 LYS 23 HZ3 LYS 23 27.087 -5.016 4.720
221 HN1 NH2 24 H2 LYS 23 30.591 -0.176 -0.247
222 HN2 NH2 24 H1 LYS 23 29.156 -0.985 0.133
Start of MODEL 5
1 H1 ACE 0 HA2 ACE 0 10.382 -0.828 1.471
2 H2 ACE 0 HA3 ACE 0 11.774 -1.466 0.597
3 H3 ACE 0 HA1 ACE 0 10.163 -1.572 -0.112
4 H GLU 1 HN GLU 1 13.010 0.227 0.029
5 HA GLU 1 HA GLU 1 11.986 2.188 -1.799
6 HB2 GLU 1 HB2 GLU 1 12.515 4.160 -0.379
7 HB3 GLU 1 HB1 GLU 1 11.181 3.196 0.244
8 HG2 GLU 1 HG2 GLU 1 12.707 2.078 1.824
9 HG3 GLU 1 HG1 GLU 1 14.053 3.035 1.219
10 H ARG 2 HN ARG 2 14.257 3.958 -0.490
11 HA ARG 2 HA ARG 2 16.542 2.573 -1.773
12 HB2 ARG 2 HB2 ARG 2 15.771 5.496 -1.963
13 HB3 ARG 2 HB1 ARG 2 17.243 4.793 -2.616
14 HG2 ARG 2 HG2 ARG 2 15.904 3.303 -4.055
15 HG3 ARG 2 HG1 ARG 2 14.427 3.998 -3.393
16 HD2 ARG 2 HD2 ARG 2 15.084 6.217 -4.249
17 HD3 ARG 2 HD1 ARG 2 16.568 5.530 -4.899
18 HE ARG 2 HE ARG 2 15.331 4.842 -6.720
19 HH11 ARG 2 HH21 ARG 2 13.249 5.260 -3.978
20 HH12 ARG 2 HH22 ARG 2 11.811 4.826 -4.839
21 HH21 ARG 2 HH11 ARG 2 13.447 4.276 -7.841
22 HH22 ARG 2 HH12 ARG 2 11.922 4.271 -7.020
23 H PHE 3 HN PHE 3 18.607 3.032 -0.922
24 HA PHE 3 HA PHE 3 18.793 4.694 1.491
25 HB2 PHE 3 HB2 PHE 3 18.148 2.430 2.270
26 HB3 PHE 3 HB1 PHE 3 19.527 1.757 1.429
27 HD1 PHE 3 HD2 PHE 3 20.622 4.898 2.811
28 HD2 PHE 3 HD1 PHE 3 19.628 0.850 3.910
29 HE1 PHE 3 HE2 PHE 3 21.985 5.107 4.841
30 HE2 PHE 3 HE1 PHE 3 20.992 1.089 5.957
31 HZ PHE 3 HZ PHE 3 22.187 3.207 6.417
32 H TYR 4 HN TYR 4 20.398 6.018 0.828
33 HA TYR 4 HA TYR 4 22.908 4.825 -0.219
34 HB2 TYR 4 HB2 TYR 4 21.702 7.533 -0.816
35 HB3 TYR 4 HB1 TYR 4 23.361 7.097 -1.204
36 HD1 TYR 4 HD1 TYR 4 19.910 5.578 -1.614
37 HD2 TYR 4 HD2 TYR 4 23.747 6.406 -3.375
38 HE1 TYR 4 HE1 TYR 4 19.184 4.526 -3.744
39 HE2 TYR 4 HE2 TYR 4 23.002 5.363 -5.489
40 HH TYR 4 HH TYR 4 21.413 4.008 -6.405
41 H GLU 5 HN GLU 5 24.716 5.190 0.917
42 HA GLU 5 HA GLU 5 24.693 7.298 2.983
43 HB2 GLU 5 HB2 GLU 5 24.179 5.150 4.057
44 HB3 GLU 5 HB1 GLU 5 25.607 4.441 3.317
45 HG2 GLU 5 HG2 GLU 5 26.056 5.027 5.650
46 HG3 GLU 5 HG1 GLU 5 27.042 5.993 4.570
47 H LYS 6 HN LYS 6 26.491 8.484 3.022
48 HA LYS 6 HA LYS 6 28.867 7.535 1.526
49 HB2 LYS 6 HB2 LYS 6 29.404 9.818 0.977
50 HB3 LYS 6 HB1 LYS 6 27.784 9.474 0.421
51 HG2 LYS 6 HG2 LYS 6 28.571 11.063 2.888
52 HG3 LYS 6 HG1 LYS 6 27.881 11.702 1.415
53 HD2 LYS 6 HD2 LYS 6 26.478 9.952 3.454
54 HD3 LYS 6 HD1 LYS 6 26.181 11.638 3.121
55 HE2 LYS 6 HE2 LYS 6 25.686 9.378 1.161
56 HE3 LYS 6 HE1 LYS 6 24.464 10.269 2.053
57 HZ1 LYS 6 HZ1 LYS 6 24.624 11.229 -0.091
58 HZ2 LYS 6 HZ2 LYS 6 26.315 11.352 0.008
59 HZ3 LYS 6 HZ3 LYS 6 25.330 12.321 0.997
60 HAC 4G6 7 HAC 4G6 7 32.173 6.020 7.249
61 HAB 4G6 7 HAB 4G6 7 32.519 7.693 6.749
62 HAA 4G6 7 HAA 4G6 7 30.993 7.310 7.578
63 HAF 4G6 7 HAF 4G6 7 29.439 5.641 6.477
64 HAD 4G6 7 HAD 4G6 7 29.129 6.130 4.789
65 HAE 4G6 7 HAE 4G6 7 29.101 7.343 6.092
66 HAL 4G6 7 HAL 4G6 7 32.454 5.714 4.213
67 HAH 4G6 7 HAH 4G6 7 32.247 8.025 4.328
68 HAG 4G6 7 HAG 4G6 7 30.923 8.801 5.226
69 HAI 4G6 7 HAI 4G6 7 30.609 7.201 2.710
70 HA DPR 8 HA PRO 8 33.035 3.712 3.863
71 HB2 DPR 8 HB2 PRO 8 33.409 2.189 5.588
72 HB3 DPR 8 HB1 PRO 8 31.679 1.831 5.782
73 HG2 DPR 8 HG2 PRO 8 33.611 0.807 3.755
74 HG3 DPR 8 HG1 PRO 8 32.240 -0.015 4.519
75 HD2 DPR 8 HD2 PRO 8 32.223 1.152 1.942
76 HD3 DPR 8 HD1 PRO 8 30.786 0.675 2.870
77 H VAL 9 HN VAL 9 27.660 3.297 1.334
78 HA VAL 9 HA VAL 9 30.179 1.832 0.957
79 HB VAL 9 HB VAL 9 29.391 4.660 0.228
80 HG11 VAL 9 HG11 VAL 9 31.775 4.555 0.422
81 HG12 VAL 9 HG12 VAL 9 31.411 4.409 -1.297
82 HG13 VAL 9 HG13 VAL 9 31.835 2.976 -0.360
83 HG21 VAL 9 HG21 VAL 9 29.737 2.267 -1.592
84 HG22 VAL 9 HG22 VAL 9 29.013 3.829 -1.978
85 HG23 VAL 9 HG23 VAL 9 28.174 2.710 -0.905
86 H GLN 10 HN GLN 10 25.894 -0.277 0.764
87 HA GLN 10 HA GLN 10 25.931 2.216 2.396
88 HB2 GLN 10 HB2 GLN 10 25.044 0.145 3.477
89 HB3 GLN 10 HB1 GLN 10 26.568 -0.664 3.140
90 HG2 GLN 10 HG2 GLN 10 26.582 0.102 5.436
91 HG3 GLN 10 HG1 GLN 10 27.736 1.059 4.518
92 HE21 GLN 10 HE21 GLN 10 24.556 1.978 3.704
93 HE22 GLN 10 HE22 GLN 10 24.433 3.323 4.732
94 H LYS 11 HN LYS 11 22.428 1.577 -1.032
95 HA LYS 11 HA LYS 11 24.661 -0.358 -0.950
96 HB2 LYS 11 HB2 LYS 11 25.911 1.208 -2.410
97 HB3 LYS 11 HB1 LYS 11 24.429 0.618 -3.137
98 HG2 LYS 11 HG2 LYS 11 23.287 2.703 -2.601
99 HG3 LYS 11 HG1 LYS 11 24.710 3.292 -1.757
100 HD2 LYS 11 HD2 LYS 11 24.594 4.298 -3.983
101 HD3 LYS 11 HD1 LYS 11 25.994 3.256 -3.862
102 HE2 LYS 11 HE2 LYS 11 23.368 2.455 -5.151
103 HE3 LYS 11 HE1 LYS 11 24.778 3.030 -6.033
104 HZ1 LYS 11 HZ1 LYS 11 24.231 0.442 -4.976
105 HZ2 LYS 11 HZ2 LYS 11 25.730 1.031 -4.434
106 HZ3 LYS 11 HZ3 LYS 11 25.408 0.923 -6.099
107 H PHE 12 HN PHE 12 19.926 -1.590 -2.042
108 HA PHE 12 HA PHE 12 20.474 0.885 -0.493
109 HB2 PHE 12 HB2 PHE 12 20.292 -1.989 0.441
110 HB3 PHE 12 HB1 PHE 12 20.711 -0.618 1.453
111 HD1 PHE 12 HD2 PHE 12 18.273 0.803 -0.603
112 HD2 PHE 12 HD1 PHE 12 18.665 -2.143 2.505
113 HE1 PHE 12 HE2 PHE 12 15.934 1.113 -0.011
114 HE2 PHE 12 HE1 PHE 12 16.286 -1.799 3.098
115 HZ PHE 12 HZ PHE 12 14.918 -0.166 1.824
116 H ILE 13 HN ILE 13 16.769 -0.184 -3.132
117 HA ILE 13 HA ILE 13 19.276 -1.345 -4.143
118 HB ILE 13 HB ILE 13 19.881 0.739 -5.351
119 HG12 ILE 13 HG12 ILE 13 16.948 1.428 -4.972
120 HG13 ILE 13 HG11 ILE 13 18.289 2.302 -4.246
121 HG21 ILE 13 HG21 ILE 13 17.311 -0.468 -6.392
122 HG22 ILE 13 HG22 ILE 13 18.856 -1.318 -6.431
123 HG23 ILE 13 HG23 ILE 13 18.652 0.183 -7.332
124 HD11 ILE 13 HD11 ILE 13 17.769 3.553 -6.179
125 HD12 ILE 13 HD12 ILE 13 17.564 2.102 -7.161
126 HD13 ILE 13 HD13 ILE 13 19.176 2.598 -6.643
127 H ARG 14 HN ARG 14 15.272 -4.257 -4.241
128 HA ARG 14 HA ARG 14 14.725 -1.336 -4.293
129 HB2 ARG 14 HB2 ARG 14 15.885 -3.054 -2.109
130 HB3 ARG 14 HB1 ARG 14 15.494 -1.363 -1.967
131 HG2 ARG 14 HG2 ARG 14 13.497 -3.605 -2.396
132 HG3 ARG 14 HG1 ARG 14 13.822 -2.815 -0.860
133 HD2 ARG 14 HD2 ARG 14 11.856 -1.792 -1.752
134 HD3 ARG 14 HD1 ARG 14 13.169 -0.641 -1.933
135 HE ARG 14 HE ARG 14 12.798 -0.714 -4.181
136 HH11 ARG 14 HH21 ARG 14 11.706 -3.652 -2.711
137 HH12 ARG 14 HH22 ARG 14 11.042 -4.303 -4.172
138 HH21 ARG 14 HH11 ARG 14 11.862 -1.546 -6.098
139 HH22 ARG 14 HH12 ARG 14 11.128 -3.115 -6.082
140 H VAL 15 HN VAL 15 11.906 -4.483 -5.733
141 HA VAL 15 HA VAL 15 14.503 -5.522 -5.808
142 HB VAL 15 HB VAL 15 14.199 -5.750 -8.229
143 HG11 VAL 15 HG11 VAL 15 13.940 -2.766 -8.527
144 HG12 VAL 15 HG12 VAL 15 12.492 -3.718 -8.198
145 HG13 VAL 15 HG13 VAL 15 13.456 -4.047 -9.636
146 HG21 VAL 15 HG21 VAL 15 15.942 -3.338 -7.687
147 HG22 VAL 15 HG22 VAL 15 16.183 -4.596 -8.900
148 HG23 VAL 15 HG23 VAL 15 16.389 -4.970 -7.189
149 H8 4FU 16 HAM 4FU 16 9.094 -8.080 -6.514
150 H9 4FU 16 HAI 4FU 16 11.532 -8.214 -8.330
151 HAI 4FU 16 HAJ 4FU 16 10.168 -9.350 -8.308
152 H112 4FU 16 HAE 4FU 16 8.613 -7.558 -8.918
153 H111 4FU 16 HAF 4FU 16 9.924 -7.689 -10.113
154 HAG 4FU 16 HAG 4FU 16 11.112 -5.816 -9.018
155 H12 4FU 16 HAH 4FU 16 9.475 -5.334 -9.518
156 HAL 4FU 16 HAL 4FU 16 8.653 -5.741 -7.232
157 HAK 4FU 16 HAK 4FU 16 9.973 -4.549 -7.223
158 H14 4FU 16 HAN 4FU 16 10.250 -6.211 -5.421
159 H GLY 17 HN GLY 17 12.552 -8.791 -6.909
160 HA2 GLY 17 HA2 GLY 17 12.627 -10.949 -5.166
161 HA3 GLY 17 HA1 GLY 17 14.027 -9.954 -5.567
162 H VAL 18 HN VAL 18 14.822 -8.534 -4.056
163 HA VAL 18 HA VAL 18 13.173 -7.759 -1.782
164 HB VAL 18 HB VAL 18 15.766 -9.284 -1.377
165 HG11 VAL 18 HG11 VAL 18 14.714 -9.137 1.092
166 HG12 VAL 18 HG12 VAL 18 14.002 -7.664 0.438
167 HG13 VAL 18 HG13 VAL 18 15.752 -7.861 0.469
168 HG21 VAL 18 HG21 VAL 18 14.036 -10.857 -1.929
169 HG22 VAL 18 HG22 VAL 18 12.864 -10.018 -0.911
170 HG23 VAL 18 HG23 VAL 18 14.205 -10.892 -0.174
171 H THR 19 HN THR 19 16.491 -7.649 -1.156
172 HA THR 19 HA THR 19 16.901 -5.057 -2.448
173 HB THR 19 HB THR 19 17.024 -5.378 0.569
174 HG1 THR 19 HG1 THR 19 14.956 -5.066 0.256
175 HG21 THR 19 HG21 THR 19 16.995 -2.671 -0.087
176 HG22 THR 19 HG22 THR 19 18.062 -3.346 -1.314
177 HG23 THR 19 HG23 THR 19 18.432 -3.575 0.398
178 H ILE 20 HN ILE 20 19.089 -4.353 -2.428
179 HA ILE 20 HA ILE 20 21.018 -6.551 -1.924
180 HB ILE 20 HB ILE 20 20.803 -5.851 -4.277
181 HG12 ILE 20 HG12 ILE 20 23.408 -4.928 -3.009
182 HG13 ILE 20 HG11 ILE 20 23.008 -6.600 -3.407
183 HG21 ILE 20 HG21 ILE 20 20.147 -3.464 -3.628
184 HG22 ILE 20 HG22 ILE 20 21.258 -3.621 -4.989
185 HG23 ILE 20 HG23 ILE 20 21.868 -3.160 -3.400
186 HD11 ILE 20 HD11 ILE 20 24.338 -5.702 -5.218
187 HD12 ILE 20 HD12 ILE 20 23.293 -4.285 -5.341
188 HD13 ILE 20 HD13 ILE 20 22.681 -5.875 -5.795
189 H ARG 21 HN ARG 21 22.653 -6.263 -0.584
190 HA ARG 21 HA ARG 21 23.096 -3.631 0.667
191 HB2 ARG 21 HB2 ARG 21 23.412 -6.437 1.765
192 HB3 ARG 21 HB1 ARG 21 23.850 -4.998 2.658
193 HG2 ARG 21 HG2 ARG 21 21.070 -5.359 1.570
194 HG3 ARG 21 HG1 ARG 21 21.530 -6.116 3.078
195 HD2 ARG 21 HD2 ARG 21 20.307 -3.964 3.363
196 HD3 ARG 21 HD1 ARG 21 21.865 -3.992 4.144
197 HE ARG 21 HE ARG 21 20.983 -2.195 2.084
198 HH11 ARG 21 HH21 ARG 21 23.699 -3.556 3.743
199 HH12 ARG 21 HH22 ARG 21 24.831 -2.411 3.104
200 HH21 ARG 21 HH11 ARG 21 22.471 -0.681 1.274
201 HH22 ARG 21 HH12 ARG 21 24.140 -0.795 1.713
202 H GLU 22 HN GLU 22 25.118 -2.741 0.324
203 HA GLU 22 HA GLU 22 27.370 -4.599 0.118
204 HB2 GLU 22 HB2 GLU 22 28.235 -3.671 -1.975
205 HB3 GLU 22 HB1 GLU 22 26.658 -4.416 -2.206
206 HG2 GLU 22 HG2 GLU 22 26.696 -2.314 -3.400
207 HG3 GLU 22 HG1 GLU 22 25.626 -2.144 -2.013
208 H LYS 23 HN LYS 23 29.503 -3.485 0.017
209 HA LYS 23 HA LYS 23 29.614 -1.591 2.136
210 HB2 LYS 23 HB2 LYS 23 31.808 -2.775 0.423
211 HB3 LYS 23 HB1 LYS 23 32.030 -1.823 1.891
212 HG2 LYS 23 HG2 LYS 23 30.790 -3.488 3.196
213 HG3 LYS 23 HG1 LYS 23 30.476 -4.422 1.742
214 HD2 LYS 23 HD2 LYS 23 32.305 -5.444 3.000
215 HD3 LYS 23 HD1 LYS 23 32.917 -4.806 1.480
216 HE2 LYS 23 HE2 LYS 23 34.424 -4.297 3.372
217 HE3 LYS 23 HE1 LYS 23 33.803 -2.822 2.656
218 HZ1 LYS 23 HZ1 LYS 23 32.384 -2.465 4.430
219 HZ2 LYS 23 HZ2 LYS 23 33.749 -3.119 5.202
220 HZ3 LYS 23 HZ3 LYS 23 32.389 -4.093 4.906
221 HN1 NH2 24 H2 LYS 23 29.230 0.878 -0.561
222 HN2 NH2 24 H1 LYS 23 28.253 -0.351 0.068
Start of MODEL 6
1 H1 ACE 0 HA2 ACE 0 10.036 -1.123 -1.719
2 H2 ACE 0 HA3 ACE 0 9.085 -0.643 -0.314
3 H3 ACE 0 HA1 ACE 0 10.680 -1.363 -0.097
4 H GLU 1 HN GLU 1 12.522 -0.105 -0.395
5 HA GLU 1 HA GLU 1 12.349 2.602 -1.382
6 HB2 GLU 1 HB2 GLU 1 13.068 3.673 0.719
7 HB3 GLU 1 HB1 GLU 1 11.474 2.935 0.874
8 HG2 GLU 1 HG2 GLU 1 12.500 0.947 1.923
9 HG3 GLU 1 HG1 GLU 1 14.087 1.696 1.780
10 H ARG 2 HN ARG 2 14.529 3.762 -0.938
11 HA ARG 2 HA ARG 2 16.733 1.790 -1.233
12 HB2 ARG 2 HB2 ARG 2 16.570 4.542 -2.517
13 HB3 ARG 2 HB1 ARG 2 17.911 3.427 -2.652
14 HG2 ARG 2 HG2 ARG 2 16.668 3.338 -4.709
15 HG3 ARG 2 HG1 ARG 2 16.377 1.835 -3.851
16 HD2 ARG 2 HD2 ARG 2 14.182 2.637 -3.136
17 HD3 ARG 2 HD1 ARG 2 14.488 4.211 -3.836
18 HE ARG 2 HE ARG 2 13.775 3.307 -5.831
19 HH11 ARG 2 HH21 ARG 2 14.932 0.777 -3.765
20 HH12 ARG 2 HH22 ARG 2 14.607 -0.483 -4.909
21 HH21 ARG 2 HH11 ARG 2 13.347 1.660 -7.317
22 HH22 ARG 2 HH12 ARG 2 13.711 0.015 -6.914
23 H PHE 3 HN PHE 3 18.817 2.508 -0.467
24 HA PHE 3 HA PHE 3 18.804 4.819 1.370
25 HB2 PHE 3 HB2 PHE 3 18.319 2.802 2.730
26 HB3 PHE 3 HB1 PHE 3 19.779 2.045 2.103
27 HD1 PHE 3 HD1 PHE 3 18.825 5.371 3.605
28 HD2 PHE 3 HD2 PHE 3 21.622 2.103 3.532
29 HE1 PHE 3 HE1 PHE 3 20.157 6.467 5.380
30 HE2 PHE 3 HE2 PHE 3 22.950 3.206 5.309
31 HZ PHE 3 HZ PHE 3 22.218 5.387 6.234
32 H TYR 4 HN TYR 4 20.457 6.088 0.818
33 HA TYR 4 HA TYR 4 22.986 4.871 -0.137
34 HB2 TYR 4 HB2 TYR 4 21.743 5.600 -2.100
35 HB3 TYR 4 HB1 TYR 4 21.502 7.193 -1.388
36 HD1 TYR 4 HD1 TYR 4 24.381 4.838 -1.994
37 HD2 TYR 4 HD2 TYR 4 22.921 8.871 -2.176
38 HE1 TYR 4 HE1 TYR 4 26.550 5.578 -2.927
39 HE2 TYR 4 HE2 TYR 4 25.093 9.612 -3.110
40 HH TYR 4 HH TYR 4 27.490 7.369 -4.189
41 H GLU 5 HN GLU 5 24.723 5.605 0.913
42 HA GLU 5 HA GLU 5 24.960 8.360 1.647
43 HB2 GLU 5 HB2 GLU 5 23.615 7.648 3.526
44 HB3 GLU 5 HB1 GLU 5 24.685 6.296 3.843
45 HG2 GLU 5 HG2 GLU 5 25.137 8.114 5.403
46 HG3 GLU 5 HG1 GLU 5 26.517 7.859 4.351
47 H LYS 6 HN LYS 6 27.026 8.999 2.138
48 HA LYS 6 HA LYS 6 29.153 6.996 1.634
49 HB2 LYS 6 HB2 LYS 6 29.170 9.991 1.265
50 HB3 LYS 6 HB1 LYS 6 30.515 8.912 0.894
51 HG2 LYS 6 HG2 LYS 6 29.057 7.697 -0.719
52 HG3 LYS 6 HG1 LYS 6 27.768 8.848 -0.396
53 HD2 LYS 6 HD2 LYS 6 30.486 9.545 -1.556
54 HD3 LYS 6 HD1 LYS 6 29.000 9.390 -2.483
55 HE2 LYS 6 HE2 LYS 6 29.533 11.448 -0.310
56 HE3 LYS 6 HE1 LYS 6 29.467 11.743 -2.036
57 HZ1 LYS 6 HZ1 LYS 6 27.139 10.555 -1.715
58 HZ2 LYS 6 HZ2 LYS 6 27.343 12.234 -1.554
59 HZ3 LYS 6 HZ3 LYS 6 27.291 11.246 -0.173
60 HAC 4G6 7 HAC 4G6 7 31.511 6.932 7.751
61 HAB 4G6 7 HAB 4G6 7 32.598 5.596 7.301
62 HAA 4G6 7 HAA 4G6 7 32.947 7.252 6.750
63 HAF 4G6 7 HAF 4G6 7 29.835 4.760 5.441
64 HAD 4G6 7 HAD 4G6 7 29.199 6.331 5.992
65 HAE 4G6 7 HAE 4G6 7 30.071 5.273 7.128
66 HAL 4G6 7 HAL 4G6 7 32.563 5.882 4.000
67 HAH 4G6 7 HAH 4G6 7 31.931 8.212 4.945
68 HAG 4G6 7 HAG 4G6 7 30.323 8.181 5.702
69 HAI 4G6 7 HAI 4G6 7 30.672 6.671 3.163
70 HA DPR 8 HA PRO 8 33.583 4.177 3.288
71 HB2 DPR 8 HB2 PRO 8 34.941 2.829 4.570
72 HB3 DPR 8 HB1 PRO 8 33.575 2.097 5.434
73 HG2 DPR 8 HG2 PRO 8 34.775 1.360 2.807
74 HG3 DPR 8 HG1 PRO 8 34.073 0.320 4.059
75 HD2 DPR 8 HD2 PRO 8 32.753 0.947 1.751
76 HD3 DPR 8 HD1 PRO 8 31.906 0.610 3.273
77 H VAL 9 HN VAL 9 28.605 3.580 1.351
78 HA VAL 9 HA VAL 9 30.522 1.298 1.357
79 HB VAL 9 HB VAL 9 30.626 3.735 -0.449
80 HG11 VAL 9 HG11 VAL 9 32.873 2.792 0.334
81 HG12 VAL 9 HG12 VAL 9 32.611 2.806 -1.405
82 HG13 VAL 9 HG13 VAL 9 32.430 1.305 -0.505
83 HG21 VAL 9 HG21 VAL 9 28.945 2.186 -1.218
84 HG22 VAL 9 HG22 VAL 9 30.022 0.813 -0.963
85 HG23 VAL 9 HG23 VAL 9 30.368 1.979 -2.239
86 H GLN 10 HN GLN 10 25.886 0.381 0.257
87 HA GLN 10 HA GLN 10 26.500 3.123 1.193
88 HB2 GLN 10 HB2 GLN 10 26.101 0.687 2.958
89 HB3 GLN 10 HB1 GLN 10 26.550 2.301 3.510
90 HG2 GLN 10 HG2 GLN 10 23.976 1.622 2.052
91 HG3 GLN 10 HG1 GLN 10 24.114 1.846 3.793
92 HE21 GLN 10 HE21 GLN 10 26.288 4.020 2.723
93 HE22 GLN 10 HE22 GLN 10 25.293 5.370 2.492
94 H LYS 11 HN LYS 11 22.152 1.832 -1.108
95 HA LYS 11 HA LYS 11 24.574 0.191 -1.496
96 HB2 LYS 11 HB2 LYS 11 23.737 2.778 -2.803
97 HB3 LYS 11 HB1 LYS 11 25.257 1.937 -3.104
98 HG2 LYS 11 HG2 LYS 11 23.998 -0.047 -3.869
99 HG3 LYS 11 HG1 LYS 11 22.482 0.808 -3.581
100 HD2 LYS 11 HD2 LYS 11 23.151 2.540 -5.214
101 HD3 LYS 11 HD1 LYS 11 24.654 1.671 -5.516
102 HE2 LYS 11 HE2 LYS 11 21.867 0.566 -5.986
103 HE3 LYS 11 HE1 LYS 11 22.956 1.156 -7.240
104 HZ1 LYS 11 HZ1 LYS 11 23.480 -1.033 -7.292
105 HZ2 LYS 11 HZ2 LYS 11 23.091 -1.297 -5.659
106 HZ3 LYS 11 HZ3 LYS 11 24.563 -0.556 -6.078
107 H PHE 12 HN PHE 12 20.081 -1.910 -1.018
108 HA PHE 12 HA PHE 12 20.414 0.962 -0.322
109 HB2 PHE 12 HB2 PHE 12 20.908 -1.539 1.307
110 HB3 PHE 12 HB1 PHE 12 21.232 0.091 1.857
111 HD1 PHE 12 HD2 PHE 12 18.309 0.636 0.054
112 HD2 PHE 12 HD1 PHE 12 19.629 -1.404 3.600
113 HE1 PHE 12 HE2 PHE 12 16.069 0.801 0.967
114 HE2 PHE 12 HE1 PHE 12 17.337 -1.202 4.525
115 HZ PHE 12 HZ PHE 12 15.558 -0.101 3.185
116 H ILE 13 HN ILE 13 16.544 -0.450 -2.704
117 HA ILE 13 HA ILE 13 18.616 -2.493 -2.354
118 HB ILE 13 HB ILE 13 19.901 -1.790 -4.328
119 HG12 ILE 13 HG12 ILE 13 18.687 -0.590 -6.186
120 HG13 ILE 13 HG11 ILE 13 17.432 -0.164 -5.034
121 HG21 ILE 13 HG21 ILE 13 18.235 -3.696 -4.321
122 HG22 ILE 13 HG22 ILE 13 18.621 -3.042 -5.910
123 HG23 ILE 13 HG23 ILE 13 17.105 -2.606 -5.122
124 HD11 ILE 13 HD11 ILE 13 20.128 0.583 -4.114
125 HD12 ILE 13 HD12 ILE 13 18.655 1.557 -4.213
126 HD13 ILE 13 HD13 ILE 13 19.667 1.345 -5.627
127 H ARG 14 HN ARG 14 14.330 -3.573 -4.143
128 HA ARG 14 HA ARG 14 14.461 -1.059 -2.844
129 HB2 ARG 14 HB2 ARG 14 14.650 -1.826 -0.506
130 HB3 ARG 14 HB1 ARG 14 13.041 -2.114 -1.161
131 HG2 ARG 14 HG2 ARG 14 13.666 -4.469 -1.631
132 HG3 ARG 14 HG1 ARG 14 15.256 -4.173 -0.929
133 HD2 ARG 14 HD2 ARG 14 13.774 -5.207 0.725
134 HD3 ARG 14 HD1 ARG 14 14.209 -3.572 1.215
135 HE ARG 14 HE ARG 14 11.803 -3.468 -0.256
136 HH11 ARG 14 HH21 ARG 14 13.103 -4.627 2.733
137 HH12 ARG 14 HH22 ARG 14 11.611 -4.474 3.601
138 HH21 ARG 14 HH11 ARG 14 9.844 -3.263 0.874
139 HH22 ARG 14 HH12 ARG 14 9.766 -3.701 2.549
140 H VAL 15 HN VAL 15 11.546 -4.900 -3.233
141 HA VAL 15 HA VAL 15 12.593 -3.829 -5.633
142 HB VAL 15 HB VAL 15 11.102 -1.862 -5.876
143 HG11 VAL 15 HG11 VAL 15 10.823 -4.078 -7.210
144 HG12 VAL 15 HG12 VAL 15 9.539 -2.879 -7.285
145 HG13 VAL 15 HG13 VAL 15 9.357 -4.283 -6.250
146 HG21 VAL 15 HG21 VAL 15 9.712 -3.190 -3.594
147 HG22 VAL 15 HG22 VAL 15 8.649 -2.530 -4.835
148 HG23 VAL 15 HG23 VAL 15 9.799 -1.480 -4.018
149 H8 4FU 16 HAM 4FU 16 9.701 -9.020 -3.986
150 H9 4FU 16 HAI 4FU 16 9.472 -7.465 -6.552
151 HAI 4FU 16 HAJ 4FU 16 8.435 -8.756 -5.922
152 H112 4FU 16 HAE 4FU 16 7.069 -6.996 -5.432
153 H111 4FU 16 HAF 4FU 16 8.417 -5.844 -5.322
154 HAG 4FU 16 HAG 4FU 16 7.341 -6.259 -3.116
155 H12 4FU 16 HAH 4FU 16 7.754 -7.980 -3.267
156 HAL 4FU 16 HAL 4FU 16 9.542 -7.249 -2.021
157 HAK 4FU 16 HAK 4FU 16 9.512 -5.622 -2.721
158 H14 4FU 16 HAN 4FU 16 11.446 -7.336 -3.294
159 H GLY 17 HN GLY 17 11.816 -9.931 -3.816
160 HA2 GLY 17 HA2 GLY 17 13.527 -11.190 -4.715
161 HA3 GLY 17 HA1 GLY 17 12.889 -10.824 -6.319
162 H VAL 18 HN VAL 18 13.338 -8.103 -4.353
163 HA VAL 18 HA VAL 18 15.849 -7.402 -5.750
164 HB VAL 18 HB VAL 18 13.641 -5.617 -4.790
165 HG11 VAL 18 HG11 VAL 18 15.773 -4.476 -4.708
166 HG12 VAL 18 HG12 VAL 18 14.909 -3.900 -6.125
167 HG13 VAL 18 HG13 VAL 18 16.210 -5.077 -6.301
168 HG21 VAL 18 HG21 VAL 18 12.862 -6.799 -6.720
169 HG22 VAL 18 HG22 VAL 18 14.423 -6.656 -7.523
170 HG23 VAL 18 HG23 VAL 18 13.406 -5.232 -7.311
171 H THR 19 HN THR 19 17.405 -7.881 -4.232
172 HA THR 19 HA THR 19 17.429 -6.194 -1.844
173 HB THR 19 HB THR 19 17.949 -8.089 -0.365
174 HG1 THR 19 HG1 THR 19 17.037 -10.108 -1.751
175 HG21 THR 19 HG21 THR 19 15.711 -8.884 -0.116
176 HG22 THR 19 HG22 THR 19 15.366 -8.649 -1.829
177 HG23 THR 19 HG23 THR 19 15.574 -7.254 -0.772
178 H ILE 20 HN ILE 20 19.483 -5.639 -1.197
179 HA ILE 20 HA ILE 20 21.823 -7.106 -1.834
180 HB ILE 20 HB ILE 20 21.325 -6.333 -4.123
181 HG12 ILE 20 HG12 ILE 20 23.687 -4.893 -2.861
182 HG13 ILE 20 HG11 ILE 20 23.682 -6.579 -3.380
183 HG21 ILE 20 HG21 ILE 20 21.051 -4.077 -4.697
184 HG22 ILE 20 HG22 ILE 20 21.818 -3.499 -3.219
185 HG23 ILE 20 HG23 ILE 20 20.190 -4.174 -3.162
186 HD11 ILE 20 HD11 ILE 20 23.364 -4.119 -5.115
187 HD12 ILE 20 HD12 ILE 20 23.055 -5.757 -5.693
188 HD13 ILE 20 HD13 ILE 20 24.672 -5.301 -5.158
189 H ARG 21 HN ARG 21 23.098 -6.624 -0.177
190 HA ARG 21 HA ARG 21 22.962 -3.927 1.063
191 HB2 ARG 21 HB2 ARG 21 24.102 -6.522 2.131
192 HB3 ARG 21 HB1 ARG 21 23.997 -5.008 3.007
193 HG2 ARG 21 HG2 ARG 21 21.621 -6.618 2.036
194 HG3 ARG 21 HG1 ARG 21 22.247 -6.649 3.673
195 HD2 ARG 21 HD2 ARG 21 20.368 -5.166 3.676
196 HD3 ARG 21 HD1 ARG 21 21.807 -4.176 3.817
197 HE ARG 21 HE ARG 21 21.114 -3.120 1.897
198 HH11 ARG 21 HH21 ARG 21 19.858 -6.351 1.975
199 HH12 ARG 21 HH22 ARG 21 18.942 -6.175 0.516
200 HH21 ARG 21 HH11 ARG 21 19.857 -2.875 0.015
201 HH22 ARG 21 HH12 ARG 21 18.939 -4.214 -0.588
202 H GLU 22 HN GLU 22 24.669 -2.589 0.691
203 HA GLU 22 HA GLU 22 27.269 -3.790 -0.073
204 HB2 GLU 22 HB2 GLU 22 26.257 -2.366 -1.833
205 HB3 GLU 22 HB1 GLU 22 26.219 -1.040 -0.684
206 HG2 GLU 22 HG2 GLU 22 28.185 -0.857 -2.137
207 HG3 GLU 22 HG1 GLU 22 28.659 -1.123 -0.466
208 H LYS 23 HN LYS 23 28.953 -3.437 1.246
209 HA LYS 23 HA LYS 23 28.500 -2.052 3.738
210 HB2 LYS 23 HB2 LYS 23 30.925 -3.522 2.692
211 HB3 LYS 23 HB1 LYS 23 30.803 -2.822 4.295
212 HG2 LYS 23 HG2 LYS 23 30.367 -5.221 4.367
213 HG3 LYS 23 HG1 LYS 23 28.918 -4.327 4.800
214 HD2 LYS 23 HD2 LYS 23 27.980 -4.700 2.582
215 HD3 LYS 23 HD1 LYS 23 29.467 -5.489 2.050
216 HE2 LYS 23 HE2 LYS 23 27.666 -6.393 4.298
217 HE3 LYS 23 HE1 LYS 23 27.730 -7.116 2.693
218 HZ1 LYS 23 HZ1 LYS 23 29.628 -7.297 4.896
219 HZ2 LYS 23 HZ2 LYS 23 30.286 -7.212 3.332
220 HZ3 LYS 23 HZ3 LYS 23 29.203 -8.457 3.735
221 HN1 NH2 24 H2 LYS 23 30.008 0.996 3.018
222 HN2 NH2 24 H1 LYS 23 28.774 0.143 3.805
Start of MODEL 7
1 H1 ACE 0 HA2 ACE 0 10.531 -0.098 -2.877
2 H2 ACE 0 HA3 ACE 0 9.320 0.175 -1.625
3 H3 ACE 0 HA1 ACE 0 10.614 -0.993 -1.359
4 H GLU 1 HN GLU 1 11.662 -0.103 0.365
5 HA GLU 1 HA GLU 1 12.312 2.742 0.413
6 HB2 GLU 1 HB2 GLU 1 13.220 2.235 2.650
7 HB3 GLU 1 HB1 GLU 1 11.562 1.666 2.472
8 HG2 GLU 1 HG2 GLU 1 12.409 -0.607 1.964
9 HG3 GLU 1 HG1 GLU 1 14.059 -0.031 2.198
10 H ARG 2 HN ARG 2 14.320 3.627 0.161
11 HA ARG 2 HA ARG 2 16.523 1.790 -0.620
12 HB2 ARG 2 HB2 ARG 2 15.976 4.557 -1.738
13 HB3 ARG 2 HB1 ARG 2 17.357 3.563 -2.119
14 HG2 ARG 2 HG2 ARG 2 15.832 3.395 -3.963
15 HG3 ARG 2 HG1 ARG 2 15.766 1.869 -3.103
16 HD2 ARG 2 HD2 ARG 2 13.661 2.552 -2.039
17 HD3 ARG 2 HD1 ARG 2 13.754 4.118 -2.805
18 HE ARG 2 HE ARG 2 12.825 3.119 -4.661
19 HH11 ARG 2 HH21 ARG 2 14.405 0.728 -2.711
20 HH12 ARG 2 HH22 ARG 2 14.008 -0.587 -3.766
21 HH21 ARG 2 HH11 ARG 2 12.302 1.394 -6.037
22 HH22 ARG 2 HH12 ARG 2 12.820 -0.211 -5.644
23 H PHE 3 HN PHE 3 18.694 2.535 -0.192
24 HA PHE 3 HA PHE 3 18.996 4.863 1.567
25 HB2 PHE 3 HB2 PHE 3 18.433 2.949 3.073
26 HB3 PHE 3 HB1 PHE 3 19.816 2.081 2.437
27 HD1 PHE 3 HD2 PHE 3 20.794 5.543 2.658
28 HD2 PHE 3 HD1 PHE 3 20.059 2.046 5.067
29 HE1 PHE 3 HE2 PHE 3 22.197 6.472 4.432
30 HE2 PHE 3 HE1 PHE 3 21.473 3.007 6.855
31 HZ PHE 3 HZ PHE 3 22.561 5.207 6.531
32 H TYR 4 HN TYR 4 20.675 5.903 0.553
33 HA TYR 4 HA TYR 4 23.058 4.315 -0.241
34 HB2 TYR 4 HB2 TYR 4 21.978 6.835 -1.509
35 HB3 TYR 4 HB1 TYR 4 23.587 6.200 -1.822
36 HD1 TYR 4 HD1 TYR 4 20.039 4.872 -1.697
37 HD2 TYR 4 HD2 TYR 4 23.821 4.936 -3.745
38 HE1 TYR 4 HE1 TYR 4 19.140 3.369 -3.464
39 HE2 TYR 4 HE2 TYR 4 22.909 3.441 -5.488
40 HH TYR 4 HH TYR 4 20.774 1.588 -5.383
41 H GLU 5 HN GLU 5 24.831 4.708 0.880
42 HA GLU 5 HA GLU 5 25.038 7.217 2.443
43 HB2 GLU 5 HB2 GLU 5 26.567 4.632 2.827
44 HB3 GLU 5 HB1 GLU 5 26.767 6.086 3.781
45 HG2 GLU 5 HG2 GLU 5 25.416 4.533 5.040
46 HG3 GLU 5 HG1 GLU 5 24.403 5.867 4.536
47 H LYS 6 HN LYS 6 26.500 8.665 1.838
48 HA LYS 6 HA LYS 6 28.567 7.863 -0.123
49 HB2 LYS 6 HB2 LYS 6 28.557 10.243 -0.788
50 HB3 LYS 6 HB1 LYS 6 27.025 9.434 -1.095
51 HG2 LYS 6 HG2 LYS 6 26.179 10.379 1.081
52 HG3 LYS 6 HG1 LYS 6 27.662 11.299 1.218
53 HD2 LYS 6 HD2 LYS 6 25.632 11.563 -1.009
54 HD3 LYS 6 HD1 LYS 6 25.852 12.689 0.319
55 HE2 LYS 6 HE2 LYS 6 26.938 13.583 -1.659
56 HE3 LYS 6 HE1 LYS 6 28.177 13.128 -0.494
57 HZ1 LYS 6 HZ1 LYS 6 29.028 11.686 -1.918
58 HZ2 LYS 6 HZ2 LYS 6 27.993 12.319 -3.109
59 HZ3 LYS 6 HZ3 LYS 6 27.522 10.959 -2.207
60 HAC 4G6 7 HAC 4G6 7 32.083 8.738 0.257
61 HAB 4G6 7 HAB 4G6 7 33.772 8.178 0.302
62 HAA 4G6 7 HAA 4G6 7 32.450 7.002 0.113
63 HAF 4G6 7 HAF 4G6 7 34.716 7.849 2.738
64 HAD 4G6 7 HAD 4G6 7 33.611 8.813 3.750
65 HAE 4G6 7 HAE 4G6 7 34.092 9.403 2.140
66 HAL 4G6 7 HAL 4G6 7 33.538 5.865 2.286
67 HAH 4G6 7 HAH 4G6 7 31.530 9.564 2.580
68 HAG 4G6 7 HAG 4G6 7 31.154 8.155 3.593
69 HAI 4G6 7 HAI 4G6 7 30.208 7.260 1.251
70 HA DPR 8 HA PRO 8 33.102 4.087 3.102
71 HB2 DPR 8 HB2 PRO 8 32.483 4.013 5.357
72 HB3 DPR 8 HB1 PRO 8 30.764 4.281 4.990
73 HG2 DPR 8 HG2 PRO 8 32.351 1.773 4.863
74 HG3 DPR 8 HG1 PRO 8 30.621 1.997 5.171
75 HD2 DPR 8 HD2 PRO 8 31.866 1.297 2.660
76 HD3 DPR 8 HD1 PRO 8 30.143 1.610 2.955
77 H VAL 9 HN VAL 9 28.008 3.347 0.714
78 HA VAL 9 HA VAL 9 30.417 1.592 0.654
79 HB VAL 9 HB VAL 9 29.562 2.029 -1.576
80 HG11 VAL 9 HG11 VAL 9 28.983 4.110 -2.412
81 HG12 VAL 9 HG12 VAL 9 30.126 4.973 -1.389
82 HG13 VAL 9 HG13 VAL 9 28.605 4.391 -0.714
83 HG21 VAL 9 HG21 VAL 9 31.615 2.822 -2.545
84 HG22 VAL 9 HG22 VAL 9 32.045 1.987 -1.052
85 HG23 VAL 9 HG23 VAL 9 32.009 3.750 -1.098
86 H GLN 10 HN GLN 10 25.820 -0.154 0.719
87 HA GLN 10 HA GLN 10 26.235 2.599 1.770
88 HB2 GLN 10 HB2 GLN 10 25.209 1.016 3.381
89 HB3 GLN 10 HB1 GLN 10 26.591 -0.051 3.182
90 HG2 GLN 10 HG2 GLN 10 28.087 1.728 3.999
91 HG3 GLN 10 HG1 GLN 10 26.698 2.784 4.218
92 HE21 GLN 10 HE21 GLN 10 26.017 2.826 6.351
93 HE22 GLN 10 HE22 GLN 10 26.094 1.515 7.426
94 H LYS 11 HN LYS 11 22.177 1.424 -0.829
95 HA LYS 11 HA LYS 11 24.494 -0.408 -0.992
96 HB2 LYS 11 HB2 LYS 11 23.952 2.111 -2.572
97 HB3 LYS 11 HB1 LYS 11 25.487 1.266 -2.579
98 HG2 LYS 11 HG2 LYS 11 24.219 0.661 -4.551
99 HG3 LYS 11 HG1 LYS 11 24.360 -0.738 -3.503
100 HD2 LYS 11 HD2 LYS 11 22.061 -0.404 -2.722
101 HD3 LYS 11 HD1 LYS 11 21.917 1.044 -3.718
102 HE2 LYS 11 HE2 LYS 11 22.480 -1.761 -4.734
103 HE3 LYS 11 HE1 LYS 11 20.939 -0.926 -4.857
104 HZ1 LYS 11 HZ1 LYS 11 23.411 -0.470 -6.329
105 HZ2 LYS 11 HZ2 LYS 11 22.457 0.889 -5.965
106 HZ3 LYS 11 HZ3 LYS 11 21.803 -0.397 -6.859
107 H PHE 12 HN PHE 12 19.994 -2.222 -0.465
108 HA PHE 12 HA PHE 12 20.332 0.694 0.023
109 HB2 PHE 12 HB2 PHE 12 20.780 -1.653 1.884
110 HB3 PHE 12 HB1 PHE 12 21.242 -0.005 2.251
111 HD1 PHE 12 HD2 PHE 12 18.250 0.599 0.630
112 HD2 PHE 12 HD1 PHE 12 19.693 -1.262 4.212
113 HE1 PHE 12 HE2 PHE 12 16.095 0.996 1.679
114 HE2 PHE 12 HE1 PHE 12 17.504 -0.821 5.286
115 HZ PHE 12 HZ PHE 12 15.707 0.303 3.996
116 H ILE 13 HN ILE 13 16.154 -1.094 -1.839
117 HA ILE 13 HA ILE 13 18.391 -2.948 -1.519
118 HB ILE 13 HB ILE 13 19.535 -2.204 -3.582
119 HG12 ILE 13 HG12 ILE 13 18.120 -1.301 -5.449
120 HG13 ILE 13 HG11 ILE 13 16.838 -1.001 -4.290
121 HG21 ILE 13 HG21 ILE 13 18.392 -3.716 -5.019
122 HG22 ILE 13 HG22 ILE 13 16.862 -3.451 -4.189
123 HG23 ILE 13 HG23 ILE 13 18.171 -4.310 -3.378
124 HD11 ILE 13 HD11 ILE 13 17.817 0.906 -3.547
125 HD12 ILE 13 HD12 ILE 13 18.737 0.821 -5.037
126 HD13 ILE 13 HD13 ILE 13 19.435 0.204 -3.551
127 H ARG 14 HN ARG 14 13.815 -4.952 -1.679
128 HA ARG 14 HA ARG 14 14.082 -2.099 -2.368
129 HB2 ARG 14 HB2 ARG 14 14.643 -1.741 0.067
130 HB3 ARG 14 HB1 ARG 14 12.963 -2.090 -0.284
131 HG2 ARG 14 HG2 ARG 14 14.901 -4.241 0.570
132 HG3 ARG 14 HG1 ARG 14 14.032 -3.258 1.742
133 HD2 ARG 14 HD2 ARG 14 11.887 -4.016 0.834
134 HD3 ARG 14 HD1 ARG 14 12.672 -4.967 -0.390
135 HE ARG 14 HE ARG 14 13.668 -5.741 2.119
136 HH11 ARG 14 HH21 ARG 14 10.797 -5.795 0.192
137 HH12 ARG 14 HH22 ARG 14 10.180 -7.250 0.899
138 HH21 ARG 14 HH11 ARG 14 12.865 -7.655 3.055
139 HH22 ARG 14 HH12 ARG 14 11.351 -8.303 2.519
140 H VAL 15 HN VAL 15 11.764 -4.827 -5.472
141 HA VAL 15 HA VAL 15 11.534 -5.759 -2.690
142 HB VAL 15 HB VAL 15 13.858 -6.265 -4.566
143 HG11 VAL 15 HG11 VAL 15 14.860 -6.150 -2.460
144 HG12 VAL 15 HG12 VAL 15 14.434 -7.854 -2.561
145 HG13 VAL 15 HG13 VAL 15 13.421 -6.751 -1.637
146 HG21 VAL 15 HG21 VAL 15 11.961 -7.685 -5.129
147 HG22 VAL 15 HG22 VAL 15 11.731 -8.100 -3.432
148 HG23 VAL 15 HG23 VAL 15 13.165 -8.660 -4.288
149 H8 4FU 16 HAM 4FU 16 9.712 -4.625 -8.072
150 H9 4FU 16 HAI 4FU 16 11.195 -3.470 -5.681
151 HAI 4FU 16 HAJ 4FU 16 11.196 -2.828 -7.336
152 H112 4FU 16 HAE 4FU 16 8.776 -2.473 -7.241
153 H111 4FU 16 HAF 4FU 16 9.588 -1.632 -5.901
154 HAG 4FU 16 HAG 4FU 16 9.026 -3.502 -4.382
155 H12 4FU 16 HAH 4FU 16 7.563 -2.817 -5.130
156 HAL 4FU 16 HAL 4FU 16 7.592 -4.607 -6.824
157 HAK 4FU 16 HAK 4FU 16 7.515 -5.293 -5.185
158 H14 4FU 16 HAN 4FU 16 9.149 -6.493 -6.586
159 H GLY 17 HN GLY 17 12.618 -3.878 -7.528
160 HA2 GLY 17 HA2 GLY 17 13.866 -5.862 -8.983
161 HA3 GLY 17 HA1 GLY 17 14.710 -4.741 -7.929
162 H VAL 18 HN VAL 18 16.075 -5.783 -6.667
163 HA VAL 18 HA VAL 18 15.231 -8.267 -5.287
164 HB VAL 18 HB VAL 18 17.511 -9.147 -5.583
165 HG11 VAL 18 HG11 VAL 18 16.390 -8.324 -8.272
166 HG12 VAL 18 HG12 VAL 18 15.631 -9.555 -7.261
167 HG13 VAL 18 HG13 VAL 18 17.266 -9.801 -7.873
168 HG21 VAL 18 HG21 VAL 18 18.808 -7.138 -5.781
169 HG22 VAL 18 HG22 VAL 18 17.855 -6.582 -7.157
170 HG23 VAL 18 HG23 VAL 18 18.938 -7.962 -7.335
171 H THR 19 HN THR 19 17.273 -8.717 -3.615
172 HA THR 19 HA THR 19 17.630 -6.172 -2.119
173 HB THR 19 HB THR 19 16.042 -7.604 -0.952
174 HG1 THR 19 HG1 THR 19 17.953 -6.445 0.068
175 HG21 THR 19 HG21 THR 19 16.873 -9.772 -1.902
176 HG22 THR 19 HG22 THR 19 16.641 -9.809 -0.156
177 HG23 THR 19 HG23 THR 19 18.264 -9.655 -0.824
178 H ILE 20 HN ILE 20 19.578 -5.604 -1.541
179 HA ILE 20 HA ILE 20 21.725 -7.485 -1.114
180 HB ILE 20 HB ILE 20 21.805 -7.244 -3.575
181 HG12 ILE 20 HG12 ILE 20 24.145 -6.463 -3.757
182 HG13 ILE 20 HG11 ILE 20 24.035 -5.737 -2.158
183 HG21 ILE 20 HG21 ILE 20 22.350 -4.308 -3.092
184 HG22 ILE 20 HG22 ILE 20 20.746 -4.920 -3.494
185 HG23 ILE 20 HG23 ILE 20 22.078 -5.121 -4.633
186 HD11 ILE 20 HD11 ILE 20 24.039 -7.796 -1.073
187 HD12 ILE 20 HD12 ILE 20 25.070 -8.150 -2.456
188 HD13 ILE 20 HD13 ILE 20 23.382 -8.655 -2.468
189 H ARG 21 HN ARG 21 23.240 -6.599 0.293
190 HA ARG 21 HA ARG 21 22.901 -3.737 0.970
191 HB2 ARG 21 HB2 ARG 21 21.949 -5.269 2.653
192 HB3 ARG 21 HB1 ARG 21 23.485 -6.110 2.766
193 HG2 ARG 21 HG2 ARG 21 23.232 -4.620 4.647
194 HG3 ARG 21 HG1 ARG 21 24.502 -4.004 3.596
195 HD2 ARG 21 HD2 ARG 21 22.987 -2.364 2.636
196 HD3 ARG 21 HD1 ARG 21 21.625 -3.068 3.499
197 HE ARG 21 HE ARG 21 22.230 -1.757 5.256
198 HH11 ARG 21 HH21 ARG 21 25.005 -2.325 3.282
199 HH12 ARG 21 HH22 ARG 21 26.066 -1.384 4.274
200 HH21 ARG 21 HH11 ARG 21 23.608 -0.509 6.544
201 HH22 ARG 21 HH12 ARG 21 25.279 -0.353 6.112
202 H GLU 22 HN GLU 22 24.685 -2.870 -0.081
203 HA GLU 22 HA GLU 22 27.257 -4.171 -0.052
204 HB2 GLU 22 HB2 GLU 22 26.518 -2.754 -1.953
205 HB3 GLU 22 HB1 GLU 22 26.500 -1.366 -0.878
206 HG2 GLU 22 HG2 GLU 22 28.560 -1.429 -2.207
207 HG3 GLU 22 HG1 GLU 22 28.904 -1.592 -0.495
208 H LYS 23 HN LYS 23 29.210 -3.046 0.896
209 HA LYS 23 HA LYS 23 28.583 -1.328 3.192
210 HB2 LYS 23 HB2 LYS 23 29.899 -2.633 4.746
211 HB3 LYS 23 HB1 LYS 23 28.582 -3.605 4.138
212 HG2 LYS 23 HG2 LYS 23 31.485 -3.746 3.258
213 HG3 LYS 23 HG1 LYS 23 30.666 -4.909 4.278
214 HD2 LYS 23 HD2 LYS 23 30.131 -4.396 1.338
215 HD3 LYS 23 HD1 LYS 23 30.880 -5.803 2.041
216 HE2 LYS 23 HE2 LYS 23 28.001 -4.961 2.487
217 HE3 LYS 23 HE1 LYS 23 28.556 -6.292 1.486
218 HZ1 LYS 23 HZ1 LYS 23 28.746 -6.035 4.423
219 HZ2 LYS 23 HZ2 LYS 23 29.687 -7.150 3.552
220 HZ3 LYS 23 HZ3 LYS 23 27.991 -7.255 3.519
221 HN1 NH2 24 H2 LYS 23 31.443 -0.208 1.097
222 HN2 NH2 24 H1 LYS 23 29.884 -0.708 0.692
Start of MODEL 8
1 H1 ACE 0 HA2 ACE 0 10.328 -1.645 -3.028
2 H2 ACE 0 HA3 ACE 0 8.733 -0.967 -2.699
3 H3 ACE 0 HA1 ACE 0 9.570 -1.899 -1.456
4 H GLU 1 HN GLU 1 12.079 -0.883 -1.452
5 HA GLU 1 HA GLU 1 12.027 2.018 -1.400
6 HB2 GLU 1 HB2 GLU 1 12.587 2.191 0.993
7 HB3 GLU 1 HB1 GLU 1 10.981 1.504 0.754
8 HG2 GLU 1 HG2 GLU 1 11.909 -0.764 1.048
9 HG3 GLU 1 HG1 GLU 1 13.513 -0.078 1.293
10 H ARG 2 HN ARG 2 14.174 2.833 -0.409
11 HA ARG 2 HA ARG 2 16.369 0.971 -0.693
12 HB2 ARG 2 HB2 ARG 2 17.532 2.368 -2.396
13 HB3 ARG 2 HB1 ARG 2 16.126 1.500 -2.976
14 HG2 ARG 2 HG2 ARG 2 16.188 3.781 -3.892
15 HG3 ARG 2 HG1 ARG 2 14.781 3.549 -2.872
16 HD2 ARG 2 HD2 ARG 2 15.822 4.804 -1.076
17 HD3 ARG 2 HD1 ARG 2 17.339 4.908 -1.955
18 HE ARG 2 HE ARG 2 16.421 6.734 -3.034
19 HH11 ARG 2 HH21 ARG 2 13.893 4.699 -1.810
20 HH12 ARG 2 HH22 ARG 2 12.617 5.712 -2.395
21 HH21 ARG 2 HH11 ARG 2 14.748 8.057 -3.789
22 HH22 ARG 2 HH12 ARG 2 13.099 7.609 -3.511
23 H PHE 3 HN PHE 3 18.557 2.107 -0.428
24 HA PHE 3 HA PHE 3 18.413 4.482 1.284
25 HB2 PHE 3 HB2 PHE 3 17.949 2.640 2.833
26 HB3 PHE 3 HB1 PHE 3 19.408 1.807 2.300
27 HD1 PHE 3 HD1 PHE 3 18.431 5.254 3.472
28 HD2 PHE 3 HD2 PHE 3 21.273 2.035 3.683
29 HE1 PHE 3 HE1 PHE 3 19.759 6.531 5.129
30 HE2 PHE 3 HE2 PHE 3 22.596 3.314 5.340
31 HZ PHE 3 HZ PHE 3 21.838 5.559 6.063
32 H TYR 4 HN TYR 4 20.117 5.756 0.903
33 HA TYR 4 HA TYR 4 22.659 4.524 0.008
34 HB2 TYR 4 HB2 TYR 4 21.475 7.133 -0.940
35 HB3 TYR 4 HB1 TYR 4 23.122 6.608 -1.269
36 HD1 TYR 4 HD1 TYR 4 19.610 5.249 -1.510
37 HD2 TYR 4 HD2 TYR 4 23.513 5.532 -3.295
38 HE1 TYR 4 HE1 TYR 4 18.817 3.957 -3.476
39 HE2 TYR 4 HE2 TYR 4 22.707 4.248 -5.255
40 HH TYR 4 HH TYR 4 20.268 3.888 -6.341
41 H GLU 5 HN GLU 5 24.400 5.020 1.096
42 HA GLU 5 HA GLU 5 24.906 7.489 2.377
43 HB2 GLU 5 HB2 GLU 5 23.223 6.686 3.985
44 HB3 GLU 5 HB1 GLU 5 24.148 5.202 4.216
45 HG2 GLU 5 HG2 GLU 5 26.057 6.503 5.050
46 HG3 GLU 5 HG1 GLU 5 25.167 7.998 4.783
47 H LYS 6 HN LYS 6 27.049 7.582 3.214
48 HA LYS 6 HA LYS 6 28.698 5.219 2.525
49 HB2 LYS 6 HB2 LYS 6 30.569 6.848 2.265
50 HB3 LYS 6 HB1 LYS 6 29.273 7.019 1.096
51 HG2 LYS 6 HG2 LYS 6 30.035 9.220 1.873
52 HG3 LYS 6 HG1 LYS 6 28.372 8.938 2.359
53 HD2 LYS 6 HD2 LYS 6 29.067 8.466 4.638
54 HD3 LYS 6 HD1 LYS 6 30.771 8.549 4.182
55 HE2 LYS 6 HE2 LYS 6 30.011 10.641 5.241
56 HE3 LYS 6 HE1 LYS 6 30.437 10.921 3.553
57 HZ1 LYS 6 HZ1 LYS 6 28.305 11.299 2.981
58 HZ2 LYS 6 HZ2 LYS 6 28.147 11.711 4.622
59 HZ3 LYS 6 HZ3 LYS 6 27.679 10.169 4.080
60 HAC 4G6 7 HAC 4G6 7 33.115 6.939 5.817
61 HAB 4G6 7 HAB 4G6 7 34.354 5.704 5.479
62 HAA 4G6 7 HAA 4G6 7 33.142 6.113 4.240
63 HAF 4G6 7 HAF 4G6 7 33.868 4.279 7.290
64 HAD 4G6 7 HAD 4G6 7 32.207 3.772 7.683
65 HAE 4G6 7 HAE 4G6 7 32.704 5.466 7.920
66 HAL 4G6 7 HAL 4G6 7 33.308 3.552 4.494
67 HAH 4G6 7 HAH 4G6 7 30.977 6.446 6.396
68 HAG 4G6 7 HAG 4G6 7 30.334 4.793 6.476
69 HAI 4G6 7 HAI 4G6 7 30.964 5.410 3.750
70 HA DPR 8 HA PRO 8 32.817 1.450 3.905
71 HB2 DPR 8 HB2 PRO 8 31.921 -0.189 5.289
72 HB3 DPR 8 HB1 PRO 8 30.315 0.566 5.315
73 HG2 DPR 8 HG2 PRO 8 31.512 -1.259 3.300
74 HG3 DPR 8 HG1 PRO 8 29.819 -1.063 3.778
75 HD2 DPR 8 HD2 PRO 8 31.018 0.026 1.456
76 HD3 DPR 8 HD1 PRO 8 29.439 0.497 2.121
77 H VAL 9 HN VAL 9 28.415 3.376 1.715
78 HA VAL 9 HA VAL 9 30.488 1.906 0.207
79 HB VAL 9 HB VAL 9 30.360 4.921 0.517
80 HG11 VAL 9 HG11 VAL 9 32.391 3.023 -0.659
81 HG12 VAL 9 HG12 VAL 9 32.645 4.292 0.538
82 HG13 VAL 9 HG13 VAL 9 32.318 4.717 -1.141
83 HG21 VAL 9 HG21 VAL 9 30.085 4.924 -1.943
84 HG22 VAL 9 HG22 VAL 9 28.748 4.083 -1.159
85 HG23 VAL 9 HG23 VAL 9 30.037 3.162 -1.936
86 H GLN 10 HN GLN 10 25.917 0.393 -0.347
87 HA GLN 10 HA GLN 10 26.191 3.217 0.468
88 HB2 GLN 10 HB2 GLN 10 26.455 0.816 2.284
89 HB3 GLN 10 HB1 GLN 10 26.894 2.465 2.729
90 HG2 GLN 10 HG2 GLN 10 24.567 3.192 2.258
91 HG3 GLN 10 HG1 GLN 10 24.139 1.528 1.868
92 HE21 GLN 10 HE21 GLN 10 23.081 0.560 3.597
93 HE22 GLN 10 HE22 GLN 10 23.434 0.838 5.233
94 H LYS 11 HN LYS 11 21.803 1.346 -1.299
95 HA LYS 11 HA LYS 11 24.339 -0.148 -1.687
96 HB2 LYS 11 HB2 LYS 11 23.245 0.590 -3.768
97 HB3 LYS 11 HB1 LYS 11 23.261 2.253 -3.186
98 HG2 LYS 11 HG2 LYS 11 25.729 2.205 -3.090
99 HG3 LYS 11 HG1 LYS 11 25.716 0.534 -3.651
100 HD2 LYS 11 HD2 LYS 11 24.618 1.243 -5.744
101 HD3 LYS 11 HD1 LYS 11 24.627 2.914 -5.180
102 HE2 LYS 11 HE2 LYS 11 27.089 2.873 -5.069
103 HE3 LYS 11 HE1 LYS 11 27.088 1.200 -5.628
104 HZ1 LYS 11 HZ1 LYS 11 26.941 3.560 -7.152
105 HZ2 LYS 11 HZ2 LYS 11 25.520 2.662 -7.396
106 HZ3 LYS 11 HZ3 LYS 11 27.036 1.955 -7.692
107 H PHE 12 HN PHE 12 20.025 -2.485 -1.054
108 HA PHE 12 HA PHE 12 20.169 0.389 -0.293
109 HB2 PHE 12 HB2 PHE 12 20.952 -2.085 1.282
110 HB3 PHE 12 HB1 PHE 12 21.166 -0.433 1.828
111 HD1 PHE 12 HD2 PHE 12 18.090 -0.261 0.157
112 HD2 PHE 12 HD1 PHE 12 19.843 -1.958 3.689
113 HE1 PHE 12 HE2 PHE 12 15.880 -0.318 1.207
114 HE2 PHE 12 HE1 PHE 12 17.606 -1.998 4.753
115 HZ PHE 12 HZ PHE 12 15.626 -1.180 3.503
116 H ILE 13 HN ILE 13 16.493 -0.994 -2.898
117 HA ILE 13 HA ILE 13 18.374 -3.126 -2.349
118 HB ILE 13 HB ILE 13 20.073 -2.425 -3.985
119 HG12 ILE 13 HG12 ILE 13 19.327 -0.131 -4.394
120 HG13 ILE 13 HG11 ILE 13 19.449 -1.015 -5.908
121 HG21 ILE 13 HG21 ILE 13 19.210 -3.583 -5.875
122 HG22 ILE 13 HG22 ILE 13 17.548 -3.186 -5.457
123 HG23 ILE 13 HG23 ILE 13 18.466 -4.313 -4.456
124 HD11 ILE 13 HD11 ILE 13 17.393 -0.001 -6.198
125 HD12 ILE 13 HD12 ILE 13 17.015 -0.026 -4.482
126 HD13 ILE 13 HD13 ILE 13 16.867 -1.498 -5.437
127 H ARG 14 HN ARG 14 14.712 -3.106 -5.608
128 HA ARG 14 HA ARG 14 14.478 -1.362 -3.449
129 HB2 ARG 14 HB2 ARG 14 13.989 -2.946 -1.607
130 HB3 ARG 14 HB1 ARG 14 12.604 -2.699 -2.658
131 HG2 ARG 14 HG2 ARG 14 13.303 -4.780 -3.909
132 HG3 ARG 14 HG1 ARG 14 14.514 -5.034 -2.670
133 HD2 ARG 14 HD2 ARG 14 11.526 -4.967 -2.199
134 HD3 ARG 14 HD1 ARG 14 12.506 -6.417 -2.287
135 HE ARG 14 HE ARG 14 13.103 -6.066 -0.093
136 HH11 ARG 14 HH21 ARG 14 11.594 -3.212 -1.323
137 HH12 ARG 14 HH22 ARG 14 11.867 -2.289 0.113
138 HH21 ARG 14 HH11 ARG 14 13.434 -4.875 1.796
139 HH22 ARG 14 HH12 ARG 14 12.905 -3.227 1.881
140 H VAL 15 HN VAL 15 11.709 -4.613 -6.141
141 HA VAL 15 HA VAL 15 13.417 -2.658 -7.417
142 HB VAL 15 HB VAL 15 11.899 -0.703 -7.139
143 HG11 VAL 15 HG11 VAL 15 10.743 -0.926 -9.186
144 HG12 VAL 15 HG12 VAL 15 10.566 -2.665 -9.011
145 HG13 VAL 15 HG13 VAL 15 12.153 -1.963 -9.358
146 HG21 VAL 15 HG21 VAL 15 9.321 -1.630 -7.203
147 HG22 VAL 15 HG22 VAL 15 10.133 -1.141 -5.722
148 HG23 VAL 15 HG23 VAL 15 10.064 -2.847 -6.165
149 H8 4FU 16 HAM 4FU 16 10.948 -6.184 -6.093
150 H9 4FU 16 HAI 4FU 16 10.824 -8.808 -6.232
151 HAI 4FU 16 HAJ 4FU 16 9.465 -7.820 -6.795
152 H112 4FU 16 HAE 4FU 16 9.805 -8.344 -8.996
153 H111 4FU 16 HAF 4FU 16 10.472 -9.813 -8.251
154 HAG 4FU 16 HAG 4FU 16 12.744 -8.815 -8.359
155 H12 4FU 16 HAH 4FU 16 11.993 -8.962 -9.964
156 HAL 4FU 16 HAL 4FU 16 11.775 -6.700 -10.222
157 HAK 4FU 16 HAK 4FU 16 13.177 -6.699 -9.135
158 H14 4FU 16 HAN 4FU 16 10.301 -6.065 -8.546
159 H GLY 17 HN GLY 17 13.381 -5.307 -6.540
160 HA2 GLY 17 HA2 GLY 17 15.493 -7.162 -6.761
161 HA3 GLY 17 HA1 GLY 17 15.605 -5.579 -5.981
162 H VAL 18 HN VAL 18 16.409 -5.858 -3.953
163 HA VAL 18 HA VAL 18 14.861 -7.320 -2.084
164 HB VAL 18 HB VAL 18 15.996 -9.223 -3.184
165 HG11 VAL 18 HG11 VAL 18 18.363 -9.445 -3.270
166 HG12 VAL 18 HG12 VAL 18 18.605 -8.073 -2.189
167 HG13 VAL 18 HG13 VAL 18 18.011 -7.810 -3.828
168 HG21 VAL 18 HG21 VAL 18 17.413 -9.034 -0.540
169 HG22 VAL 18 HG22 VAL 18 16.514 -10.377 -1.236
170 HG23 VAL 18 HG23 VAL 18 15.646 -9.005 -0.553
171 H THR 19 HN THR 19 16.552 -7.620 0.059
172 HA THR 19 HA THR 19 17.631 -4.886 0.423
173 HB THR 19 HB THR 19 17.400 -5.323 2.831
174 HG1 THR 19 HG1 THR 19 15.871 -7.541 2.589
175 HG21 THR 19 HG21 THR 19 15.094 -4.995 2.924
176 HG22 THR 19 HG22 THR 19 14.780 -6.168 1.650
177 HG23 THR 19 HG23 THR 19 15.427 -4.579 1.242
178 H ILE 20 HN ILE 20 19.717 -4.791 0.084
179 HA ILE 20 HA ILE 20 21.524 -6.546 1.559
180 HB ILE 20 HB ILE 20 21.259 -7.681 -0.624
181 HG12 ILE 20 HG12 ILE 20 23.920 -6.241 -0.344
182 HG13 ILE 20 HG11 ILE 20 23.461 -7.704 0.527
183 HG21 ILE 20 HG21 ILE 20 20.682 -5.511 -1.830
184 HG22 ILE 20 HG22 ILE 20 21.787 -6.587 -2.686
185 HG23 ILE 20 HG23 ILE 20 22.412 -5.165 -1.848
186 HD11 ILE 20 HD11 ILE 20 23.860 -7.367 -2.452
187 HD12 ILE 20 HD12 ILE 20 23.053 -8.772 -1.755
188 HD13 ILE 20 HD13 ILE 20 24.738 -8.435 -1.356
189 H ARG 21 HN ARG 21 23.188 -5.365 2.355
190 HA ARG 21 HA ARG 21 23.503 -2.598 1.365
191 HB2 ARG 21 HB2 ARG 21 22.752 -2.847 3.647
192 HB3 ARG 21 HB1 ARG 21 24.155 -3.838 4.050
193 HG2 ARG 21 HG2 ARG 21 25.625 -1.935 3.413
194 HG3 ARG 21 HG1 ARG 21 24.199 -0.963 3.099
195 HD2 ARG 21 HD2 ARG 21 24.994 -2.141 5.772
196 HD3 ARG 21 HD1 ARG 21 25.196 -0.463 5.309
197 HE ARG 21 HE ARG 21 22.954 -0.117 5.821
198 HH11 ARG 21 HH21 ARG 21 23.645 -3.510 5.748
199 HH12 ARG 21 HH22 ARG 21 22.015 -3.982 6.096
200 HH21 ARG 21 HH11 ARG 21 20.832 -0.730 6.288
201 HH22 ARG 21 HH12 ARG 21 20.425 -2.409 6.402
202 H GLU 22 HN GLU 22 25.251 -2.228 0.179
203 HA GLU 22 HA GLU 22 27.838 -3.103 1.009
204 HB2 GLU 22 HB2 GLU 22 28.362 -4.496 -0.978
205 HB3 GLU 22 HB1 GLU 22 27.150 -5.218 0.074
206 HG2 GLU 22 HG2 GLU 22 26.471 -5.463 -2.264
207 HG3 GLU 22 HG1 GLU 22 25.364 -4.378 -1.431
208 H LYS 23 HN LYS 23 29.524 -2.635 -0.751
209 HA LYS 23 HA LYS 23 30.038 -0.129 -1.249
210 HB2 LYS 23 HB2 LYS 23 31.407 -1.956 -2.149
211 HB3 LYS 23 HB1 LYS 23 30.219 -2.227 -3.422
212 HG2 LYS 23 HG2 LYS 23 30.605 0.050 -4.282
213 HG3 LYS 23 HG1 LYS 23 31.777 0.338 -2.996
214 HD2 LYS 23 HD2 LYS 23 33.164 -1.515 -3.843
215 HD3 LYS 23 HD1 LYS 23 31.989 -1.810 -5.126
216 HE2 LYS 23 HE2 LYS 23 32.355 0.465 -5.991
217 HE3 LYS 23 HE1 LYS 23 33.530 0.766 -4.711
218 HZ1 LYS 23 HZ1 LYS 23 33.780 -0.843 -7.120
219 HZ2 LYS 23 HZ2 LYS 23 34.494 -1.486 -5.719
220 HZ3 LYS 23 HZ3 LYS 23 34.955 0.049 -6.284
221 HN1 NH2 24 H2 LYS 23 27.956 1.606 -3.456
222 HN2 NH2 24 H1 LYS 23 29.379 1.627 -2.547
Start of MODEL 9
1 H1 ACE 0 HA2 ACE 0 12.568 -1.555 0.202
2 H2 ACE 0 HA3 ACE 0 11.138 -0.527 0.306
3 H3 ACE 0 HA1 ACE 0 12.742 0.169 0.530
4 H GLU 1 HN GLU 1 13.707 1.054 -1.206
5 HA GLU 1 HA GLU 1 13.311 0.045 -3.866
6 HB2 GLU 1 HB2 GLU 1 12.346 2.140 -4.787
7 HB3 GLU 1 HB1 GLU 1 11.251 1.306 -3.687
8 HG2 GLU 1 HG2 GLU 1 11.934 2.825 -1.860
9 HG3 GLU 1 HG1 GLU 1 13.011 3.668 -2.963
10 H ARG 2 HN ARG 2 14.467 2.707 -1.866
11 HA ARG 2 HA ARG 2 16.991 2.741 -3.418
12 HB2 ARG 2 HB2 ARG 2 15.342 5.135 -2.576
13 HB3 ARG 2 HB1 ARG 2 16.961 5.220 -3.246
14 HG2 ARG 2 HG2 ARG 2 16.182 4.105 -5.303
15 HG3 ARG 2 HG1 ARG 2 14.558 4.002 -4.632
16 HD2 ARG 2 HD2 ARG 2 14.466 6.466 -4.486
17 HD3 ARG 2 HD1 ARG 2 16.085 6.562 -5.173
18 HE ARG 2 HE ARG 2 14.467 5.062 -6.924
19 HH11 ARG 2 HH21 ARG 2 14.805 8.265 -5.658
20 HH12 ARG 2 HH22 ARG 2 14.159 9.039 -7.066
21 HH21 ARG 2 HH11 ARG 2 13.618 6.072 -8.776
22 HH22 ARG 2 HH12 ARG 2 13.487 7.798 -8.831
23 H PHE 3 HN PHE 3 18.843 2.892 -2.126
24 HA PHE 3 HA PHE 3 18.538 3.925 0.606
25 HB2 PHE 3 HB2 PHE 3 17.952 1.490 0.710
26 HB3 PHE 3 HB1 PHE 3 19.563 1.115 0.125
27 HD1 PHE 3 HD2 PHE 3 19.985 3.967 2.259
28 HD2 PHE 3 HD1 PHE 3 19.141 -0.261 2.376
29 HE1 PHE 3 HE2 PHE 3 20.745 3.869 4.590
30 HE2 PHE 3 HE1 PHE 3 19.909 -0.331 4.724
31 HZ PHE 3 HZ PHE 3 20.712 1.731 5.830
32 H TYR 4 HN TYR 4 20.024 5.549 0.074
33 HA TYR 4 HA TYR 4 22.828 4.654 -0.359
34 HB2 TYR 4 HB2 TYR 4 21.951 5.822 -2.349
35 HB3 TYR 4 HB1 TYR 4 21.516 7.205 -1.345
36 HD1 TYR 4 HD1 TYR 4 24.510 4.988 -1.907
37 HD2 TYR 4 HD2 TYR 4 23.034 8.987 -1.338
38 HE1 TYR 4 HE1 TYR 4 26.813 5.872 -2.122
39 HE2 TYR 4 HE2 TYR 4 25.342 9.867 -1.560
40 HH TYR 4 HH TYR 4 28.071 7.702 -2.291
41 H GLU 5 HN GLU 5 23.937 4.931 1.451
42 HA GLU 5 HA GLU 5 24.137 7.431 2.764
43 HB2 GLU 5 HB2 GLU 5 21.949 6.807 3.635
44 HB3 GLU 5 HB1 GLU 5 22.560 5.233 4.114
45 HG2 GLU 5 HG2 GLU 5 22.378 6.735 6.039
46 HG3 GLU 5 HG1 GLU 5 24.045 6.284 5.748
47 H LYS 6 HN LYS 6 25.596 7.212 4.750
48 HA LYS 6 HA LYS 6 27.473 4.952 4.333
49 HB2 LYS 6 HB2 LYS 6 29.151 6.387 5.382
50 HB3 LYS 6 HB1 LYS 6 28.466 7.165 3.959
51 HG2 LYS 6 HG2 LYS 6 26.904 8.430 5.438
52 HG3 LYS 6 HG1 LYS 6 27.680 7.708 6.840
53 HD2 LYS 6 HD2 LYS 6 29.052 9.485 4.803
54 HD3 LYS 6 HD1 LYS 6 28.528 9.988 6.405
55 HE2 LYS 6 HE2 LYS 6 30.649 7.894 5.800
56 HE3 LYS 6 HE1 LYS 6 30.920 9.509 6.424
57 HZ1 LYS 6 HZ1 LYS 6 30.684 8.672 8.437
58 HZ2 LYS 6 HZ2 LYS 6 30.173 7.167 7.838
59 HZ3 LYS 6 HZ3 LYS 6 29.045 8.410 8.095
60 HAC 4G6 7 HAC 4G6 7 28.064 5.509 9.093
61 HAB 4G6 7 HAB 4G6 7 28.314 4.554 10.575
62 HAA 4G6 7 HAA 4G6 7 29.708 5.020 9.572
63 HAF 4G6 7 HAF 4G6 7 29.455 2.056 10.110
64 HAD 4G6 7 HAD 4G6 7 28.089 1.364 9.201
65 HAE 4G6 7 HAE 4G6 7 27.787 2.489 10.548
66 HAL 4G6 7 HAL 4G6 7 30.219 4.072 7.629
67 HAH 4G6 7 HAH 4G6 7 26.475 4.098 8.528
68 HAG 4G6 7 HAG 4G6 7 26.799 2.481 7.868
69 HAI 4G6 7 HAI 4G6 7 27.894 3.566 5.942
70 HA DPR 8 HA PRO 8 31.648 3.142 6.469
71 HB2 DPR 8 HB2 PRO 8 33.143 1.385 6.492
72 HB3 DPR 8 HB1 PRO 8 31.973 0.665 7.615
73 HG2 DPR 8 HG2 PRO 8 32.679 -0.558 5.331
74 HG3 DPR 8 HG1 PRO 8 31.045 -0.688 6.003
75 HD2 DPR 8 HD2 PRO 8 31.968 0.815 3.600
76 HD3 DPR 8 HD1 PRO 8 30.353 0.174 3.981
77 H VAL 9 HN VAL 9 27.887 3.531 2.519
78 HA VAL 9 HA VAL 9 30.308 1.835 2.363
79 HB VAL 9 HB VAL 9 31.539 3.938 2.051
80 HG11 VAL 9 HG11 VAL 9 29.193 3.412 0.209
81 HG12 VAL 9 HG12 VAL 9 30.817 2.739 0.082
82 HG13 VAL 9 HG13 VAL 9 30.551 4.457 -0.211
83 HG21 VAL 9 HG21 VAL 9 30.303 5.637 3.112
84 HG22 VAL 9 HG22 VAL 9 28.778 5.099 2.410
85 HG23 VAL 9 HG23 VAL 9 29.963 5.939 1.412
86 H GLN 10 HN GLN 10 26.553 0.509 -0.005
87 HA GLN 10 HA GLN 10 25.981 2.641 1.965
88 HB2 GLN 10 HB2 GLN 10 25.937 -0.330 2.540
89 HB3 GLN 10 HB1 GLN 10 25.834 0.946 3.752
90 HG2 GLN 10 HG2 GLN 10 23.767 1.781 2.694
91 HG3 GLN 10 HG1 GLN 10 23.868 0.494 1.492
92 HE21 GLN 10 HE21 GLN 10 22.388 1.261 4.385
93 HE22 GLN 10 HE22 GLN 10 22.094 -0.309 4.959
94 H LYS 11 HN LYS 11 23.569 2.684 -2.565
95 HA LYS 11 HA LYS 11 25.304 0.397 -1.817
96 HB2 LYS 11 HB2 LYS 11 26.071 3.163 -2.708
97 HB3 LYS 11 HB1 LYS 11 27.205 1.901 -2.242
98 HG2 LYS 11 HG2 LYS 11 26.283 0.440 -4.036
99 HG3 LYS 11 HG1 LYS 11 25.228 1.755 -4.536
100 HD2 LYS 11 HD2 LYS 11 28.263 1.846 -4.544
101 HD3 LYS 11 HD1 LYS 11 27.254 1.593 -5.961
102 HE2 LYS 11 HE2 LYS 11 27.304 4.100 -4.239
103 HE3 LYS 11 HE1 LYS 11 27.974 3.923 -5.849
104 HZ1 LYS 11 HZ1 LYS 11 25.561 3.139 -6.395
105 HZ2 LYS 11 HZ2 LYS 11 25.957 4.791 -6.356
106 HZ3 LYS 11 HZ3 LYS 11 25.170 4.071 -5.033
107 H PHE 12 HN PHE 12 21.294 -0.845 -3.927
108 HA PHE 12 HA PHE 12 22.200 1.504 -4.605
109 HB2 PHE 12 HB2 PHE 12 20.432 2.156 -2.323
110 HB3 PHE 12 HB1 PHE 12 21.899 3.075 -2.586
111 HD1 PHE 12 HD2 PHE 12 20.768 2.111 -5.866
112 HD2 PHE 12 HD1 PHE 12 19.851 4.788 -2.611
113 HE1 PHE 12 HE2 PHE 12 19.627 3.619 -7.425
114 HE2 PHE 12 HE1 PHE 12 18.718 6.299 -4.211
115 HZ PHE 12 HZ PHE 12 18.598 5.712 -6.607
116 H ILE 13 HN ILE 13 16.894 -0.896 -4.139
117 HA ILE 13 HA ILE 13 19.665 -1.924 -4.296
118 HB ILE 13 HB ILE 13 19.679 -1.094 -6.652
119 HG12 ILE 13 HG12 ILE 13 17.471 -0.885 -7.792
120 HG13 ILE 13 HG11 ILE 13 16.682 -0.853 -6.226
121 HG21 ILE 13 HG21 ILE 13 19.402 -3.438 -6.074
122 HG22 ILE 13 HG22 ILE 13 18.444 -3.032 -7.498
123 HG23 ILE 13 HG23 ILE 13 17.662 -3.209 -5.932
124 HD11 ILE 13 HD11 ILE 13 17.308 1.310 -5.818
125 HD12 ILE 13 HD12 ILE 13 17.381 1.367 -7.572
126 HD13 ILE 13 HD13 ILE 13 18.855 1.130 -6.649
127 H ARG 14 HN ARG 14 17.181 -3.575 -0.646
128 HA ARG 14 HA ARG 14 15.585 -2.847 -2.914
129 HB2 ARG 14 HB2 ARG 14 15.746 -0.437 -2.626
130 HB3 ARG 14 HB1 ARG 14 14.710 -1.185 -1.430
131 HG2 ARG 14 HG2 ARG 14 17.585 -0.327 -0.962
132 HG3 ARG 14 HG1 ARG 14 16.171 0.604 -0.494
133 HD2 ARG 14 HD2 ARG 14 16.952 -2.121 0.604
134 HD3 ARG 14 HD1 ARG 14 17.025 -0.592 1.436
135 HE ARG 14 HE ARG 14 14.391 -0.966 0.556
136 HH11 ARG 14 HH21 ARG 14 16.721 -2.297 2.746
137 HH12 ARG 14 HH22 ARG 14 15.537 -2.875 3.870
138 HH21 ARG 14 HH11 ARG 14 12.836 -1.715 2.031
139 HH22 ARG 14 HH12 ARG 14 13.338 -2.546 3.466
140 H VAL 15 HN VAL 15 13.507 -5.746 0.252
141 HA VAL 15 HA VAL 15 15.734 -4.253 1.457
142 HB VAL 15 HB VAL 15 17.322 -5.538 0.063
143 HG11 VAL 15 HG11 VAL 15 17.368 -7.496 1.473
144 HG12 VAL 15 HG12 VAL 15 15.635 -7.379 1.785
145 HG13 VAL 15 HG13 VAL 15 16.735 -6.171 2.450
146 HG21 VAL 15 HG21 VAL 15 14.777 -6.980 -0.699
147 HG22 VAL 15 HG22 VAL 15 16.324 -7.817 -0.759
148 HG23 VAL 15 HG23 VAL 15 16.064 -6.378 -1.735
149 H8 4FU 16 HAM 4FU 16 10.235 -5.937 1.853
150 H9 4FU 16 HAI 4FU 16 12.088 -3.530 1.918
151 HAI 4FU 16 HAJ 4FU 16 10.349 -3.492 1.545
152 H112 4FU 16 HAE 4FU 16 9.828 -4.414 3.766
153 H111 4FU 16 HAF 4FU 16 10.761 -2.906 3.903
154 HAG 4FU 16 HAG 4FU 16 12.830 -4.198 4.245
155 H12 4FU 16 HAH 4FU 16 11.597 -4.654 5.442
156 HAL 4FU 16 HAL 4FU 16 10.982 -6.610 4.094
157 HAK 4FU 16 HAK 4FU 16 12.715 -6.653 4.488
158 H14 4FU 16 HAN 4FU 16 12.327 -7.226 2.124
159 H GLY 17 HN GLY 17 11.368 -7.510 0.166
160 HA2 GLY 17 HA2 GLY 17 10.865 -7.179 -2.324
161 HA3 GLY 17 HA1 GLY 17 12.171 -5.998 -2.264
162 H VAL 18 HN VAL 18 13.033 -7.479 -3.968
163 HA VAL 18 HA VAL 18 14.684 -9.603 -2.725
164 HB VAL 18 HB VAL 18 12.875 -10.681 -3.966
165 HG11 VAL 18 HG11 VAL 18 12.801 -8.565 -5.618
166 HG12 VAL 18 HG12 VAL 18 12.247 -10.155 -6.134
167 HG13 VAL 18 HG13 VAL 18 13.853 -9.595 -6.591
168 HG21 VAL 18 HG21 VAL 18 15.423 -10.859 -5.593
169 HG22 VAL 18 HG22 VAL 18 14.242 -12.134 -5.294
170 HG23 VAL 18 HG23 VAL 18 15.267 -11.556 -3.981
171 H THR 19 HN THR 19 16.273 -7.928 -2.586
172 HA THR 19 HA THR 19 18.104 -7.944 -4.743
173 HB THR 19 HB THR 19 16.585 -6.375 -5.768
174 HG1 THR 19 HG1 THR 19 18.572 -5.790 -6.249
175 HG21 THR 19 HG21 THR 19 15.423 -5.583 -3.773
176 HG22 THR 19 HG22 THR 19 16.059 -4.223 -4.682
177 HG23 THR 19 HG23 THR 19 16.885 -4.762 -3.218
178 H ILE 20 HN ILE 20 19.873 -6.037 -4.253
179 HA ILE 20 HA ILE 20 20.268 -5.995 -1.315
180 HB ILE 20 HB ILE 20 22.630 -6.485 -1.711
181 HG12 ILE 20 HG12 ILE 20 21.769 -6.899 -4.586
182 HG13 ILE 20 HG11 ILE 20 22.786 -5.578 -4.010
183 HG21 ILE 20 HG21 ILE 20 20.846 -8.277 -1.354
184 HG22 ILE 20 HG22 ILE 20 22.354 -8.824 -2.086
185 HG23 ILE 20 HG23 ILE 20 20.930 -8.563 -3.092
186 HD11 ILE 20 HD11 ILE 20 24.251 -7.280 -4.891
187 HD12 ILE 20 HD12 ILE 20 23.434 -8.536 -3.960
188 HD13 ILE 20 HD13 ILE 20 24.398 -7.313 -3.133
189 H ARG 21 HN ARG 21 22.006 -4.575 -0.602
190 HA ARG 21 HA ARG 21 22.769 -2.401 -2.254
191 HB2 ARG 21 HB2 ARG 21 21.752 -0.635 -0.688
192 HB3 ARG 21 HB1 ARG 21 20.735 -1.384 -1.904
193 HG2 ARG 21 HG2 ARG 21 19.572 -1.177 0.265
194 HG3 ARG 21 HG1 ARG 21 19.734 -2.845 -0.229
195 HD2 ARG 21 HD2 ARG 21 21.538 -1.488 1.784
196 HD3 ARG 21 HD1 ARG 21 20.135 -2.464 2.200
197 HE ARG 21 HE ARG 21 21.762 -3.964 0.488
198 HH11 ARG 21 HH21 ARG 21 21.805 -2.565 3.648
199 HH12 ARG 21 HH22 ARG 21 22.796 -3.807 4.337
200 HH21 ARG 21 HH11 ARG 21 23.048 -5.608 1.382
201 HH22 ARG 21 HH12 ARG 21 23.500 -5.533 3.053
202 H GLU 22 HN GLU 22 24.816 -2.738 -1.907
203 HA GLU 22 HA GLU 22 25.933 -1.980 0.721
204 HB2 GLU 22 HB2 GLU 22 26.786 -4.434 -0.838
205 HB3 GLU 22 HB1 GLU 22 27.563 -3.828 0.617
206 HG2 GLU 22 HG2 GLU 22 24.686 -4.772 0.469
207 HG3 GLU 22 HG1 GLU 22 26.027 -5.750 1.047
208 H LYS 23 HN LYS 23 28.534 -2.146 0.376
209 HA LYS 23 HA LYS 23 30.364 -1.124 -0.566
210 HB2 LYS 23 HB2 LYS 23 28.879 -1.491 -3.186
211 HB3 LYS 23 HB1 LYS 23 30.593 -1.167 -2.993
212 HG2 LYS 23 HG2 LYS 23 29.186 -3.653 -2.002
213 HG3 LYS 23 HG1 LYS 23 30.141 -3.548 -3.476
214 HD2 LYS 23 HD2 LYS 23 32.125 -2.911 -2.108
215 HD3 LYS 23 HD1 LYS 23 31.160 -3.127 -0.650
216 HE2 LYS 23 HE2 LYS 23 30.730 -5.458 -1.245
217 HE3 LYS 23 HE1 LYS 23 31.700 -5.262 -2.707
218 HZ1 LYS 23 HZ1 LYS 23 32.543 -5.589 0.025
219 HZ2 LYS 23 HZ2 LYS 23 33.328 -4.319 -0.786
220 HZ3 LYS 23 HZ3 LYS 23 33.386 -5.896 -1.415
221 HN1 NH2 24 H2 LYS 23 28.217 1.957 -0.470
222 HN2 NH2 24 H1 LYS 23 28.044 0.469 0.314
Start of MODEL 10
1 H1 ACE 0 HA2 ACE 0 10.352 0.539 -2.037
2 H2 ACE 0 HA3 ACE 0 10.978 1.864 -3.017
3 H3 ACE 0 HA1 ACE 0 9.484 2.071 -2.105
4 H GLU 1 HN GLU 1 12.567 0.612 -1.105
5 HA GLU 1 HA GLU 1 13.026 2.826 0.795
6 HB2 GLU 1 HB2 GLU 1 11.812 1.060 2.023
7 HB3 GLU 1 HB1 GLU 1 13.034 -0.114 1.537
8 HG2 GLU 1 HG2 GLU 1 14.766 1.196 2.717
9 HG3 GLU 1 HG1 GLU 1 13.547 2.375 3.193
10 H ARG 2 HN ARG 2 15.135 3.366 1.016
11 HA ARG 2 HA ARG 2 17.158 1.575 -0.203
12 HB2 ARG 2 HB2 ARG 2 17.222 4.611 -0.256
13 HB3 ARG 2 HB1 ARG 2 18.456 3.547 -0.895
14 HG2 ARG 2 HG2 ARG 2 17.208 4.360 -2.768
15 HG3 ARG 2 HG1 ARG 2 16.727 2.690 -2.535
16 HD2 ARG 2 HD2 ARG 2 14.652 3.422 -1.448
17 HD3 ARG 2 HD1 ARG 2 15.154 5.091 -1.560
18 HE ARG 2 HE ARG 2 14.339 5.056 -3.712
19 HH11 ARG 2 HH21 ARG 2 15.144 1.833 -2.724
20 HH12 ARG 2 HH22 ARG 2 14.674 1.113 -4.228
21 HH21 ARG 2 HH11 ARG 2 13.726 4.113 -5.676
22 HH22 ARG 2 HH12 ARG 2 13.877 2.402 -5.897
23 H PHE 3 HN PHE 3 19.379 1.865 0.691
24 HA PHE 3 HA PHE 3 19.286 2.843 3.510
25 HB2 PHE 3 HB2 PHE 3 19.525 0.354 3.266
26 HB3 PHE 3 HB1 PHE 3 21.016 0.655 2.399
27 HD1 PHE 3 HD2 PHE 3 20.942 3.171 4.933
28 HD2 PHE 3 HD1 PHE 3 21.528 -1.063 4.380
29 HE1 PHE 3 HE2 PHE 3 22.199 3.069 7.034
30 HE2 PHE 3 HE1 PHE 3 22.779 -1.147 6.512
31 HZ PHE 3 HZ PHE 3 23.120 0.917 7.836
32 H TYR 4 HN TYR 4 20.255 4.683 3.509
33 HA TYR 4 HA TYR 4 21.699 6.345 3.301
34 HB2 TYR 4 HB2 TYR 4 23.030 4.813 4.700
35 HB3 TYR 4 HB1 TYR 4 23.805 4.209 3.236
36 HD1 TYR 4 HD1 TYR 4 22.967 7.556 4.756
37 HD2 TYR 4 HD2 TYR 4 25.925 5.166 2.756
38 HE1 TYR 4 HE1 TYR 4 24.566 9.439 4.854
39 HE2 TYR 4 HE2 TYR 4 27.520 7.050 2.861
40 HH TYR 4 HH TYR 4 27.608 9.365 3.154
41 H GLU 5 HN GLU 5 24.426 5.490 1.838
42 HA GLU 5 HA GLU 5 23.611 5.965 -0.918
43 HB2 GLU 5 HB2 GLU 5 25.404 7.886 0.566
44 HB3 GLU 5 HB1 GLU 5 25.059 7.927 -1.160
45 HG2 GLU 5 HG2 GLU 5 22.655 8.278 -0.657
46 HG3 GLU 5 HG1 GLU 5 23.029 8.282 1.064
47 H LYS 6 HN LYS 6 25.581 6.123 -2.358
48 HA LYS 6 HA LYS 6 27.765 4.361 -1.387
49 HB2 LYS 6 HB2 LYS 6 27.960 3.515 -3.688
50 HB3 LYS 6 HB1 LYS 6 26.352 3.206 -3.043
51 HG2 LYS 6 HG2 LYS 6 25.497 5.208 -4.217
52 HG3 LYS 6 HG1 LYS 6 27.106 5.499 -4.880
53 HD2 LYS 6 HD2 LYS 6 27.046 3.295 -5.995
54 HD3 LYS 6 HD1 LYS 6 25.428 3.018 -5.350
55 HE2 LYS 6 HE2 LYS 6 26.211 5.300 -7.188
56 HE3 LYS 6 HE1 LYS 6 25.335 3.850 -7.678
57 HZ1 LYS 6 HZ1 LYS 6 24.407 6.167 -6.214
58 HZ2 LYS 6 HZ2 LYS 6 23.874 4.674 -5.601
59 HZ3 LYS 6 HZ3 LYS 6 23.549 5.098 -7.213
60 HAC 4G6 7 HAC 4G6 7 33.470 5.252 -3.331
61 HAB 4G6 7 HAB 4G6 7 31.905 4.436 -3.100
62 HAA 4G6 7 HAA 4G6 7 32.089 5.664 -4.375
63 HAF 4G6 7 HAF 4G6 7 33.069 8.148 -1.614
64 HAD 4G6 7 HAD 4G6 7 32.398 8.391 -3.246
65 HAE 4G6 7 HAE 4G6 7 33.824 7.351 -3.013
66 HAL 4G6 7 HAL 4G6 7 32.942 5.480 -0.765
67 HAH 4G6 7 HAH 4G6 7 30.450 7.058 -3.786
68 HAG 4G6 7 HAG 4G6 7 30.308 7.810 -2.184
69 HAI 4G6 7 HAI 4G6 7 29.858 5.049 -1.805
70 HA DPR 8 HA PRO 8 32.613 5.414 1.409
71 HB2 DPR 8 HB2 PRO 8 31.815 7.141 2.746
72 HB3 DPR 8 HB1 PRO 8 30.154 6.978 2.142
73 HG2 DPR 8 HG2 PRO 8 31.544 5.458 4.283
74 HG3 DPR 8 HG1 PRO 8 29.826 5.849 4.113
75 HD2 DPR 8 HD2 PRO 8 31.042 3.356 3.483
76 HD3 DPR 8 HD1 PRO 8 29.395 3.855 3.037
77 H VAL 9 HN VAL 9 28.064 3.024 0.890
78 HA VAL 9 HA VAL 9 30.441 1.652 1.926
79 HB VAL 9 HB VAL 9 29.562 0.104 0.256
80 HG11 VAL 9 HG11 VAL 9 28.947 0.677 -1.907
81 HG12 VAL 9 HG12 VAL 9 30.009 2.078 -1.966
82 HG13 VAL 9 HG13 VAL 9 28.495 2.158 -1.067
83 HG21 VAL 9 HG21 VAL 9 32.099 0.728 0.517
84 HG22 VAL 9 HG22 VAL 9 31.906 1.456 -1.078
85 HG23 VAL 9 HG23 VAL 9 31.595 -0.263 -0.852
86 H GLN 10 HN GLN 10 25.740 0.174 1.514
87 HA GLN 10 HA GLN 10 26.283 2.961 2.365
88 HB2 GLN 10 HB2 GLN 10 24.980 1.695 4.053
89 HB3 GLN 10 HB1 GLN 10 26.201 0.428 4.033
90 HG2 GLN 10 HG2 GLN 10 26.559 1.913 5.942
91 HG3 GLN 10 HG1 GLN 10 27.892 2.064 4.804
92 HE21 GLN 10 HE21 GLN 10 28.476 4.215 4.522
93 HE22 GLN 10 HE22 GLN 10 27.402 5.527 4.548
94 H LYS 11 HN LYS 11 22.194 1.186 0.554
95 HA LYS 11 HA LYS 11 24.631 -0.210 -0.099
96 HB2 LYS 11 HB2 LYS 11 25.184 1.550 -1.926
97 HB3 LYS 11 HB1 LYS 11 24.235 0.130 -2.326
98 HG2 LYS 11 HG2 LYS 11 23.292 2.201 -3.301
99 HG3 LYS 11 HG1 LYS 11 22.179 1.399 -2.208
100 HD2 LYS 11 HD2 LYS 11 22.701 3.003 -0.461
101 HD3 LYS 11 HD1 LYS 11 23.886 3.786 -1.507
102 HE2 LYS 11 HE2 LYS 11 21.706 4.989 -1.537
103 HE3 LYS 11 HE1 LYS 11 22.081 4.313 -3.120
104 HZ1 LYS 11 HZ1 LYS 11 19.758 3.969 -2.062
105 HZ2 LYS 11 HZ2 LYS 11 20.529 2.733 -1.188
106 HZ3 LYS 11 HZ3 LYS 11 20.503 2.691 -2.885
107 H PHE 12 HN PHE 12 19.995 -2.298 -1.286
108 HA PHE 12 HA PHE 12 20.298 0.173 0.309
109 HB2 PHE 12 HB2 PHE 12 20.722 -2.745 0.962
110 HB3 PHE 12 HB1 PHE 12 21.177 -1.472 2.058
111 HD1 PHE 12 HD2 PHE 12 18.234 -0.278 0.489
112 HD2 PHE 12 HD1 PHE 12 19.517 -3.227 3.331
113 HE1 PHE 12 HE2 PHE 12 16.003 -0.306 1.433
114 HE2 PHE 12 HE1 PHE 12 17.228 -3.236 4.290
115 HZ PHE 12 HZ PHE 12 15.481 -1.756 3.319
116 H ILE 13 HN ILE 13 16.559 -0.304 -2.463
117 HA ILE 13 HA ILE 13 18.523 -2.425 -2.718
118 HB ILE 13 HB ILE 13 19.954 -1.234 -4.338
119 HG12 ILE 13 HG12 ILE 13 18.875 0.454 -5.859
120 HG13 ILE 13 HG11 ILE 13 17.542 0.570 -4.723
121 HG21 ILE 13 HG21 ILE 13 18.318 -3.048 -4.957
122 HG22 ILE 13 HG22 ILE 13 18.778 -1.978 -6.280
123 HG23 ILE 13 HG23 ILE 13 17.216 -1.779 -5.490
124 HD11 ILE 13 HD11 ILE 13 20.184 0.964 -3.467
125 HD12 ILE 13 HD12 ILE 13 18.716 1.936 -3.348
126 HD13 ILE 13 HD13 ILE 13 19.797 2.146 -4.708
127 H ARG 14 HN ARG 14 14.294 -2.757 -4.893
128 HA ARG 14 HA ARG 14 14.455 -0.693 -3.090
129 HB2 ARG 14 HB2 ARG 14 14.686 -1.682 -0.894
130 HB3 ARG 14 HB1 ARG 14 13.069 -1.978 -1.493
131 HG2 ARG 14 HG2 ARG 14 15.324 -3.999 -1.588
132 HG3 ARG 14 HG1 ARG 14 14.104 -3.931 -0.327
133 HD2 ARG 14 HD2 ARG 14 13.581 -4.446 -3.265
134 HD3 ARG 14 HD1 ARG 14 13.548 -5.640 -1.982
135 HE ARG 14 HE ARG 14 11.801 -3.517 -1.318
136 HH11 ARG 14 HH21 ARG 14 12.148 -6.272 -3.378
137 HH12 ARG 14 HH22 ARG 14 10.449 -6.439 -3.670
138 HH21 ARG 14 HH11 ARG 14 9.573 -3.731 -1.694
139 HH22 ARG 14 HH12 ARG 14 8.992 -5.001 -2.718
140 H VAL 15 HN VAL 15 11.446 -4.673 -4.495
141 HA VAL 15 HA VAL 15 12.526 -2.674 -6.332
142 HB VAL 15 HB VAL 15 9.852 -2.223 -4.976
143 HG11 VAL 15 HG11 VAL 15 11.744 -0.431 -6.509
144 HG12 VAL 15 HG12 VAL 15 11.008 -0.149 -4.933
145 HG13 VAL 15 HG13 VAL 15 10.024 -0.064 -6.390
146 HG21 VAL 15 HG21 VAL 15 10.660 -2.596 -7.874
147 HG22 VAL 15 HG22 VAL 15 9.136 -1.852 -7.401
148 HG23 VAL 15 HG23 VAL 15 9.469 -3.523 -6.959
149 H8 4FU 16 HAM 4FU 16 11.819 -8.455 -6.978
150 H9 4FU 16 HAI 4FU 16 11.825 -6.079 -8.878
151 HAI 4FU 16 HAJ 4FU 16 12.126 -7.776 -9.300
152 H112 4FU 16 HAE 4FU 16 9.877 -8.407 -8.575
153 H111 4FU 16 HAF 4FU 16 9.801 -7.124 -9.804
154 HAG 4FU 16 HAG 4FU 16 9.525 -5.432 -8.018
155 H12 4FU 16 HAH 4FU 16 8.255 -6.674 -7.934
156 HAL 4FU 16 HAL 4FU 16 9.532 -7.861 -6.190
157 HAK 4FU 16 HAK 4FU 16 9.176 -6.192 -5.687
158 H14 4FU 16 HAN 4FU 16 11.515 -6.806 -5.194
159 H GLY 17 HN GLY 17 13.990 -8.483 -8.378
160 HA2 GLY 17 HA2 GLY 17 16.286 -8.300 -8.295
161 HA3 GLY 17 HA1 GLY 17 16.023 -6.605 -7.887
162 H VAL 18 HN VAL 18 14.373 -8.520 -5.741
163 HA VAL 18 HA VAL 18 14.606 -8.811 -3.460
164 HB VAL 18 HB VAL 18 17.298 -9.852 -4.417
165 HG11 VAL 18 HG11 VAL 18 17.508 -9.861 -2.085
166 HG12 VAL 18 HG12 VAL 18 16.805 -11.446 -2.378
167 HG13 VAL 18 HG13 VAL 18 15.780 -10.122 -1.830
168 HG21 VAL 18 HG21 VAL 18 16.185 -11.983 -4.686
169 HG22 VAL 18 HG22 VAL 18 15.262 -10.774 -5.580
170 HG23 VAL 18 HG23 VAL 18 14.688 -11.339 -4.010
171 H THR 19 HN THR 19 16.409 -8.502 -1.583
172 HA THR 19 HA THR 19 17.371 -5.714 -1.900
173 HB THR 19 HB THR 19 16.579 -7.235 0.598
174 HG1 THR 19 HG1 THR 19 15.199 -5.836 -1.268
175 HG21 THR 19 HG21 THR 19 18.187 -5.587 1.205
176 HG22 THR 19 HG22 THR 19 16.618 -4.847 1.522
177 HG23 THR 19 HG23 THR 19 17.519 -4.413 0.070
178 H ILE 20 HN ILE 20 19.488 -5.382 -1.852
179 HA ILE 20 HA ILE 20 21.263 -7.254 -0.406
180 HB ILE 20 HB ILE 20 22.913 -6.933 -2.199
181 HG12 ILE 20 HG12 ILE 20 20.678 -5.460 -3.623
182 HG13 ILE 20 HG11 ILE 20 22.140 -4.713 -2.982
183 HG21 ILE 20 HG21 ILE 20 21.169 -8.793 -2.240
184 HG22 ILE 20 HG22 ILE 20 21.915 -8.410 -3.792
185 HG23 ILE 20 HG23 ILE 20 20.295 -7.817 -3.420
186 HD11 ILE 20 HD11 ILE 20 21.915 -6.700 -5.246
187 HD12 ILE 20 HD12 ILE 20 23.448 -6.349 -4.449
188 HD13 ILE 20 HD13 ILE 20 22.580 -5.068 -5.294
189 H ARG 21 HN ARG 21 23.081 -6.224 0.607
190 HA ARG 21 HA ARG 21 23.059 -3.260 0.541
191 HB2 ARG 21 HB2 ARG 21 23.399 -3.219 2.971
192 HB3 ARG 21 HB1 ARG 21 21.862 -3.961 2.543
193 HG2 ARG 21 HG2 ARG 21 22.862 -6.198 2.782
194 HG3 ARG 21 HG1 ARG 21 24.406 -5.461 3.216
195 HD2 ARG 21 HD2 ARG 21 23.158 -6.131 5.234
196 HD3 ARG 21 HD1 ARG 21 23.354 -4.382 5.162
197 HE ARG 21 HE ARG 21 20.909 -5.041 3.933
198 HH11 ARG 21 HH21 ARG 21 22.469 -5.118 7.021
199 HH12 ARG 21 HH22 ARG 21 21.005 -4.897 7.920
200 HH21 ARG 21 HH11 ARG 21 18.985 -4.751 5.106
201 HH22 ARG 21 HH12 ARG 21 19.033 -4.689 6.837
202 H GLU 22 HN GLU 22 24.940 -2.217 0.669
203 HA GLU 22 HA GLU 22 27.401 -3.855 0.637
204 HB2 GLU 22 HB2 GLU 22 26.895 -1.101 -0.480
205 HB3 GLU 22 HB1 GLU 22 28.464 -1.906 -0.471
206 HG2 GLU 22 HG2 GLU 22 27.337 -2.221 -2.638
207 HG3 GLU 22 HG1 GLU 22 27.529 -3.759 -1.803
208 H LYS 23 HN LYS 23 29.319 -3.047 1.643
209 HA LYS 23 HA LYS 23 28.744 -1.560 4.134
210 HB2 LYS 23 HB2 LYS 23 30.735 -2.709 5.042
211 HB3 LYS 23 HB1 LYS 23 29.504 -3.838 4.483
212 HG2 LYS 23 HG2 LYS 23 30.722 -4.171 2.378
213 HG3 LYS 23 HG1 LYS 23 31.925 -2.984 2.861
214 HD2 LYS 23 HD2 LYS 23 32.800 -5.235 3.222
215 HD3 LYS 23 HD1 LYS 23 32.575 -4.430 4.768
216 HE2 LYS 23 HE2 LYS 23 30.483 -5.668 5.135
217 HE3 LYS 23 HE1 LYS 23 30.637 -6.425 3.549
218 HZ1 LYS 23 HZ1 LYS 23 31.715 -8.005 4.674
219 HZ2 LYS 23 HZ2 LYS 23 31.971 -7.016 6.031
220 HZ3 LYS 23 HZ3 LYS 23 33.022 -6.926 4.700
221 HN1 NH2 24 H2 LYS 23 31.123 0.933 3.576
222 HN2 NH2 24 H1 LYS 23 30.027 0.243 4.666