Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
644093 | 6r2x RC | 34381 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 PHE 1 HT1 PHE 1 19.122 10.058 2.296
2 H2 PHE 1 HT2 PHE 1 17.940 9.551 3.393
3 H3 PHE 1 HT3 PHE 1 17.535 9.809 1.772
4 HA PHE 1 HA PHE 1 18.904 7.995 1.069
5 HB2 PHE 1 HB2 PHE 1 20.632 8.144 2.782
6 HB3 PHE 1 HB1 PHE 1 19.475 7.705 4.031
7 HD1 PHE 1 HD1 PHE 1 19.290 5.503 4.681
8 HD2 PHE 1 HD2 PHE 1 20.979 6.410 0.885
9 HE1 PHE 1 HE1 PHE 1 19.853 3.130 4.368
10 HE2 PHE 1 HE2 PHE 1 21.543 4.039 0.564
11 HZ PHE 1 HZ PHE 1 20.996 2.395 2.331
12 H GLU 2 HN GLU 2 17.463 6.542 0.410
13 HA GLU 2 HA GLU 2 15.233 5.833 2.134
14 HB2 GLU 2 HB2 GLU 2 15.863 5.150 -0.742
15 HB3 GLU 2 HB1 GLU 2 14.438 4.570 0.107
16 HG2 GLU 2 HG2 GLU 2 15.132 7.420 -0.551
17 HG3 GLU 2 HG1 GLU 2 13.828 6.448 -1.229
18 H THR 3 HN THR 3 15.023 3.960 3.169
19 HA THR 3 HA THR 3 17.266 2.149 3.211
20 HB THR 3 HB THR 3 15.741 0.953 4.917
21 HG1 THR 3 HG1 THR 3 14.067 2.286 5.735
22 HG21 THR 3 HG21 THR 3 17.656 2.342 5.546
23 HG22 THR 3 HG22 THR 3 16.318 2.557 6.672
24 HG23 THR 3 HG23 THR 3 16.648 3.785 5.451
25 H LEU 4 HN LEU 4 17.365 0.894 1.425
26 HA LEU 4 HA LEU 4 15.021 -0.047 0.079
27 HB2 LEU 4 HB2 LEU 4 17.066 0.512 -1.144
28 HB3 LEU 4 HB1 LEU 4 17.922 -0.769 -0.310
29 HG LEU 4 HG LEU 4 16.431 -2.430 -1.385
30 HD11 LEU 4 HD11 LEU 4 14.482 -1.026 -1.738
31 HD12 LEU 4 HD12 LEU 4 15.026 -1.731 -3.260
32 HD13 LEU 4 HD13 LEU 4 15.380 -0.043 -2.894
33 HD21 LEU 4 HD21 LEU 4 18.584 -1.922 -2.376
34 HD22 LEU 4 HD22 LEU 4 17.881 -0.569 -3.261
35 HD23 LEU 4 HD23 LEU 4 17.388 -2.219 -3.637
36 H ARG 5 HN ARG 5 13.928 -1.237 1.563
37 HA ARG 5 HA ARG 5 15.174 -3.685 2.594
38 HB2 ARG 5 HB2 ARG 5 12.609 -2.278 3.332
39 HB3 ARG 5 HB1 ARG 5 13.155 -3.784 4.049
40 HG2 ARG 5 HG2 ARG 5 14.771 -2.773 5.290
41 HG3 ARG 5 HG1 ARG 5 15.003 -1.467 4.124
42 HD2 ARG 5 HD2 ARG 5 12.515 -1.762 5.791
43 HD3 ARG 5 HD1 ARG 5 13.911 -0.817 6.308
44 HE ARG 5 HE ARG 5 13.509 0.353 4.016
45 HH11 ARG 5 HH11 ARG 5 11.024 -0.798 6.213
46 HH12 ARG 5 HH12 ARG 5 9.869 0.405 5.732
47 HH21 ARG 5 HH21 ARG 5 12.002 1.938 3.405
48 HH22 ARG 5 HH22 ARG 5 10.429 1.967 4.139
49 H GLY 6 HN GLY 6 12.997 -2.548 0.243
50 HA2 GLY 6 HA2 GLY 6 12.003 -3.846 -1.457
51 HA3 GLY 6 HA1 GLY 6 12.239 -5.278 -0.465
52 H ASP 7 HN ASP 7 11.099 -4.078 1.912
53 HA ASP 7 HA ASP 7 8.458 -4.928 1.598
54 HB2 ASP 7 HB2 ASP 7 9.741 -3.307 3.792
55 HB3 ASP 7 HB1 ASP 7 8.082 -3.886 3.863
56 H GLU 8 HN GLU 8 9.856 -1.866 0.933
57 HA GLU 8 HA GLU 8 7.666 -0.172 1.358
58 HB2 GLU 8 HB2 GLU 8 9.984 0.582 0.830
59 HB3 GLU 8 HB1 GLU 8 9.739 0.060 -0.832
60 HG2 GLU 8 HG2 GLU 8 7.849 1.652 -0.995
61 HG3 GLU 8 HG1 GLU 8 8.250 2.232 0.619
62 H ARG 9 HN ARG 9 8.420 -2.417 -1.206
63 HA ARG 9 HA ARG 9 6.461 -1.573 -3.068
64 HB2 ARG 9 HB2 ARG 9 7.968 -4.127 -2.633
65 HB3 ARG 9 HB1 ARG 9 6.667 -4.058 -3.813
66 HG2 ARG 9 HG2 ARG 9 9.013 -2.179 -3.829
67 HG3 ARG 9 HG1 ARG 9 8.967 -3.697 -4.727
68 HD2 ARG 9 HD2 ARG 9 7.088 -1.359 -5.035
69 HD3 ARG 9 HD1 ARG 9 8.330 -1.871 -6.179
70 HE ARG 9 HE ARG 9 6.776 -4.076 -5.928
71 HH11 ARG 9 HH11 ARG 9 6.063 -0.726 -6.675
72 HH12 ARG 9 HH12 ARG 9 4.677 -1.111 -7.642
73 HH21 ARG 9 HH21 ARG 9 4.959 -4.572 -7.191
74 HH22 ARG 9 HH22 ARG 9 4.048 -3.297 -7.936
75 H ILE 10 HN ILE 10 6.426 -3.894 -0.428
76 HA ILE 10 HA ILE 10 3.778 -4.810 -0.877
77 HB ILE 10 HB ILE 10 5.426 -4.825 1.661
78 HG12 ILE 10 HG12 ILE 10 4.864 -7.024 -0.341
79 HG13 ILE 10 HG11 ILE 10 6.372 -6.123 -0.231
80 HG21 ILE 10 HG21 ILE 10 3.062 -4.983 2.198
81 HG22 ILE 10 HG22 ILE 10 3.854 -6.537 2.462
82 HG23 ILE 10 HG23 ILE 10 2.863 -6.285 1.026
83 HD11 ILE 10 HD11 ILE 10 6.574 -8.287 0.827
84 HD12 ILE 10 HD12 ILE 10 5.215 -7.914 1.889
85 HD13 ILE 10 HD13 ILE 10 6.716 -6.998 2.024
86 H LEU 11 HN LEU 11 5.195 -2.227 1.041
87 HA LEU 11 HA LEU 11 2.928 -1.372 2.419
88 HB2 LEU 11 HB2 LEU 11 5.310 -0.618 2.752
89 HB3 LEU 11 HB1 LEU 11 5.131 0.387 1.331
90 HG LEU 11 HG LEU 11 3.338 0.715 3.729
91 HD11 LEU 11 HD11 LEU 11 5.972 2.076 3.187
92 HD12 LEU 11 HD12 LEU 11 5.640 0.933 4.489
93 HD13 LEU 11 HD13 LEU 11 4.833 2.501 4.465
94 HD21 LEU 11 HD21 LEU 11 3.078 2.981 2.843
95 HD22 LEU 11 HD22 LEU 11 2.593 1.772 1.655
96 HD23 LEU 11 HD23 LEU 11 4.151 2.585 1.501
97 H SER 12 HN SER 12 4.163 -0.374 -0.780
98 HA SER 12 HA SER 12 2.059 1.467 -1.228
99 HB2 SER 12 HB2 SER 12 2.871 1.453 -3.589
100 HB3 SER 12 HB1 SER 12 4.136 1.756 -2.399
101 HG SER 12 HG SER 12 3.604 -0.659 -3.792
102 H ILE 13 HN ILE 13 2.466 -1.948 -1.954
103 HA ILE 13 HA ILE 13 0.167 -2.179 -3.599
104 HB ILE 13 HB ILE 13 1.535 -4.280 -1.911
105 HG12 ILE 13 HG12 ILE 13 1.633 -3.782 -4.893
106 HG13 ILE 13 HG11 ILE 13 2.888 -3.297 -3.757
107 HG21 ILE 13 HG21 ILE 13 -0.597 -4.599 -4.024
108 HG22 ILE 13 HG22 ILE 13 -0.770 -4.923 -2.300
109 HG23 ILE 13 HG23 ILE 13 0.305 -5.921 -3.280
110 HD11 ILE 13 HD11 ILE 13 2.022 -6.115 -4.355
111 HD12 ILE 13 HD12 ILE 13 3.252 -5.648 -3.181
112 HD13 ILE 13 HD13 ILE 13 3.505 -5.332 -4.896
113 H LEU 14 HN LEU 14 0.714 -2.674 -0.132
114 HA LEU 14 HA LEU 14 -1.946 -3.337 0.513
115 HB2 LEU 14 HB2 LEU 14 -0.009 -3.735 1.993
116 HB3 LEU 14 HB1 LEU 14 0.144 -2.006 2.239
117 HG LEU 14 HG LEU 14 -2.022 -1.949 3.368
118 HD11 LEU 14 HD11 LEU 14 -2.060 -4.923 2.869
119 HD12 LEU 14 HD12 LEU 14 -3.163 -3.728 2.190
120 HD13 LEU 14 HD13 LEU 14 -3.176 -4.054 3.922
121 HD21 LEU 14 HD21 LEU 14 -1.396 -3.197 5.370
122 HD22 LEU 14 HD22 LEU 14 -0.007 -2.358 4.682
123 HD23 LEU 14 HD23 LEU 14 -0.194 -4.095 4.445
124 H ARG 15 HN ARG 15 -0.243 -0.251 0.281
125 HA ARG 15 HA ARG 15 -2.322 1.420 1.132
126 HB2 ARG 15 HB2 ARG 15 -0.056 2.251 0.782
127 HB3 ARG 15 HB1 ARG 15 -0.185 1.933 -0.943
128 HG2 ARG 15 HG2 ARG 15 -1.966 3.598 -1.116
129 HG3 ARG 15 HG1 ARG 15 -1.827 3.922 0.613
130 HD2 ARG 15 HD2 ARG 15 0.480 4.649 0.298
131 HD3 ARG 15 HD1 ARG 15 0.366 4.292 -1.424
132 HE ARG 15 HE ARG 15 -1.650 6.132 -0.567
133 HH11 ARG 15 HH11 ARG 15 1.723 5.876 -1.456
134 HH12 ARG 15 HH12 ARG 15 1.844 7.524 -1.983
135 HH21 ARG 15 HH21 ARG 15 -1.507 8.295 -1.273
136 HH22 ARG 15 HH22 ARG 15 0.002 8.901 -1.878
137 H HIS 16 HN HIS 16 -1.644 -0.051 -1.993
138 HA HIS 16 HA HIS 16 -3.769 1.240 -3.379
139 HB2 HIS 16 HB2 HIS 16 -2.153 -1.233 -3.966
140 HB3 HIS 16 HB1 HIS 16 -3.489 -0.736 -4.997
141 HD1 HIS 16 HD1 HIS 16 -1.573 -0.512 -6.858
142 HD2 HIS 16 HD2 HIS 16 -1.438 2.238 -3.747
143 HE1 HIS 16 HE1 HIS 16 -0.063 1.329 -7.653
144 HE2 HIS 16 HE2 HIS 16 -0.144 3.062 -5.826
145 H GLN 17 HN GLN 17 -3.478 -1.796 -1.615
146 HA GLN 17 HA GLN 17 -6.051 -2.803 -2.167
147 HB2 GLN 17 HB2 GLN 17 -4.359 -3.173 0.316
148 HB3 GLN 17 HB1 GLN 17 -5.781 -4.121 -0.080
149 HG2 GLN 17 HG2 GLN 17 -3.154 -4.075 -1.552
150 HG3 GLN 17 HG1 GLN 17 -3.836 -5.398 -0.609
151 HE21 GLN 17 HE21 GLN 17 -3.827 -3.748 -3.630
152 HE22 GLN 17 HE22 GLN 17 -4.871 -4.839 -4.473
153 H ASN 18 HN ASN 18 -4.840 -0.486 0.149
154 HA ASN 18 HA ASN 18 -7.174 -0.250 1.723
155 HB2 ASN 18 HB2 ASN 18 -5.023 0.532 2.543
156 HB3 ASN 18 HB1 ASN 18 -4.916 1.703 1.236
157 HD21 ASN 18 HD21 ASN 18 -5.958 3.649 1.435
158 HD22 ASN 18 HD22 ASN 18 -6.814 4.127 2.856
159 H LEU 19 HN LEU 19 -6.123 1.290 -1.243
160 HA LEU 19 HA LEU 19 -8.265 3.192 -1.315
161 HB2 LEU 19 HB2 LEU 19 -6.367 2.237 -3.455
162 HB3 LEU 19 HB1 LEU 19 -7.531 3.526 -3.683
163 HG LEU 19 HG LEU 19 -5.247 3.575 -1.708
164 HD11 LEU 19 HD11 LEU 19 -4.444 3.709 -3.992
165 HD12 LEU 19 HD12 LEU 19 -4.306 5.280 -3.204
166 HD13 LEU 19 HD13 LEU 19 -5.613 4.980 -4.350
167 HD21 LEU 19 HD21 LEU 19 -7.250 5.692 -2.486
168 HD22 LEU 19 HD22 LEU 19 -5.848 5.942 -1.446
169 HD23 LEU 19 HD23 LEU 19 -7.150 4.873 -0.928
170 H LEU 20 HN LEU 20 -7.704 -0.026 -2.589
171 HA LEU 20 HA LEU 20 -10.014 -0.092 -4.261
172 HB2 LEU 20 HB2 LEU 20 -8.381 -2.343 -3.081
173 HB3 LEU 20 HB1 LEU 20 -9.615 -2.540 -4.310
174 HG LEU 20 HG LEU 20 -7.048 -0.984 -4.643
175 HD11 LEU 20 HD11 LEU 20 -6.646 -3.371 -4.516
176 HD12 LEU 20 HD12 LEU 20 -6.427 -2.800 -6.170
177 HD13 LEU 20 HD13 LEU 20 -7.896 -3.667 -5.725
178 HD21 LEU 20 HD21 LEU 20 -7.685 -0.878 -7.008
179 HD22 LEU 20 HD22 LEU 20 -8.852 -0.049 -5.981
180 HD23 LEU 20 HD23 LEU 20 -9.225 -1.647 -6.625
181 H LYS 21 HN LYS 21 -9.343 -0.948 -0.927
182 HA LYS 21 HA LYS 21 -11.879 -2.196 -0.481
183 HB2 LYS 21 HB2 LYS 21 -9.889 -2.741 0.878
184 HB3 LYS 21 HB1 LYS 21 -9.890 -1.103 1.513
185 HG2 LYS 21 HG2 LYS 21 -12.095 -1.498 2.510
186 HG3 LYS 21 HG1 LYS 21 -12.054 -3.157 1.911
187 HD2 LYS 21 HD2 LYS 21 -10.065 -3.599 3.256
188 HD3 LYS 21 HD1 LYS 21 -10.078 -1.931 3.834
189 HE2 LYS 21 HE2 LYS 21 -12.258 -2.299 4.869
190 HE3 LYS 21 HE1 LYS 21 -12.267 -3.958 4.276
191 HZ1 LYS 21 HZ1 LYS 21 -11.587 -3.830 6.592
192 HZ2 LYS 21 HZ2 LYS 21 -10.287 -2.825 6.174
193 HZ3 LYS 21 HZ3 LYS 21 -10.329 -4.422 5.620
194 H GLU 22 HN GLU 22 -13.404 -0.714 -1.182
195 HA GLU 22 HA GLU 22 -13.644 1.760 0.384
196 HB2 GLU 22 HB2 GLU 22 -15.088 0.933 -2.142
197 HB3 GLU 22 HB1 GLU 22 -15.222 2.493 -1.341
198 HG2 GLU 22 HG2 GLU 22 -12.858 2.919 -1.769
199 HG3 GLU 22 HG1 GLU 22 -12.723 1.357 -2.573
200 H LEU 23 HN LEU 23 -14.282 -1.013 1.219
201 HA LEU 23 HA LEU 23 -17.073 -0.572 2.007
202 HB2 LEU 23 HB2 LEU 23 -15.845 -3.186 1.124
203 HB3 LEU 23 HB1 LEU 23 -17.433 -3.028 1.846
204 HG LEU 23 HG LEU 23 -16.599 -1.806 -0.789
205 HD11 LEU 23 HD11 LEU 23 -18.323 -4.204 -0.191
206 HD12 LEU 23 HD12 LEU 23 -16.721 -4.228 -0.927
207 HD13 LEU 23 HD13 LEU 23 -18.073 -3.488 -1.783
208 HD21 LEU 23 HD21 LEU 23 -19.291 -1.953 0.567
209 HD22 LEU 23 HD22 LEU 23 -18.990 -1.345 -1.061
210 HD23 LEU 23 HD23 LEU 23 -18.321 -0.499 0.335
211 H GLN 24 HN GLN 24 -17.615 -1.331 4.041
212 HA GLN 24 HA GLN 24 -15.363 -1.349 5.858
213 HB2 GLN 24 HB2 GLN 24 -18.329 -1.022 6.172
214 HB3 GLN 24 HB1 GLN 24 -17.314 -1.335 7.571
215 HG2 GLN 24 HG2 GLN 24 -17.797 1.050 7.245
216 HG3 GLN 24 HG1 GLN 24 -16.077 0.686 7.197
217 HE21 GLN 24 HE21 GLN 24 -14.948 0.963 5.304
218 HE22 GLN 24 HE22 GLN 24 -15.598 1.809 3.941
219 H ASP 25 HN ASP 25 -15.729 -2.777 7.889
220 HA ASP 25 HA ASP 25 -16.081 -5.518 6.903
221 HB2 ASP 25 HB2 ASP 25 -14.566 -4.540 9.337
222 HB3 ASP 25 HB1 ASP 25 -14.677 -6.213 8.804
Start of MODEL 2
1 H1 PHE 1 HT1 PHE 1 24.607 3.244 -4.011
2 H2 PHE 1 HT2 PHE 1 24.670 3.046 -5.686
3 H3 PHE 1 HT3 PHE 1 24.287 1.735 -4.696
4 HA PHE 1 HA PHE 1 22.665 4.176 -5.088
5 HB2 PHE 1 HB2 PHE 1 22.782 2.365 -6.924
6 HB3 PHE 1 HB1 PHE 1 21.898 1.348 -5.793
7 HD1 PHE 1 HD1 PHE 1 19.677 1.187 -6.291
8 HD2 PHE 1 HD2 PHE 1 21.660 4.893 -6.913
9 HE1 PHE 1 HE1 PHE 1 17.567 2.184 -7.063
10 HE2 PHE 1 HE2 PHE 1 19.555 5.900 -7.681
11 HZ PHE 1 HZ PHE 1 17.502 4.544 -7.760
12 H GLU 2 HN GLU 2 22.349 0.814 -3.903
13 HA GLU 2 HA GLU 2 21.427 -0.068 -2.033
14 HB2 GLU 2 HB2 GLU 2 22.520 2.482 -0.844
15 HB3 GLU 2 HB1 GLU 2 21.973 1.104 0.098
16 HG2 GLU 2 HG2 GLU 2 24.271 1.142 -1.850
17 HG3 GLU 2 HG1 GLU 2 24.380 1.103 -0.091
18 H THR 3 HN THR 3 19.279 0.078 -2.831
19 HA THR 3 HA THR 3 17.640 1.949 -1.284
20 HB THR 3 HB THR 3 16.090 2.098 -3.272
21 HG1 THR 3 HG1 THR 3 18.048 0.509 -4.319
22 HG21 THR 3 HG21 THR 3 18.845 3.288 -3.565
23 HG22 THR 3 HG22 THR 3 17.519 3.958 -2.617
24 HG23 THR 3 HG23 THR 3 17.388 3.862 -4.373
25 H LEU 4 HN LEU 4 17.130 0.292 0.142
26 HA LEU 4 HA LEU 4 15.999 -2.177 -0.803
27 HB2 LEU 4 HB2 LEU 4 17.312 -2.091 1.264
28 HB3 LEU 4 HB1 LEU 4 16.136 -1.006 1.974
29 HG LEU 4 HG LEU 4 14.435 -2.821 1.812
30 HD11 LEU 4 HD11 LEU 4 15.227 -5.115 1.441
31 HD12 LEU 4 HD12 LEU 4 16.812 -4.485 0.998
32 HD13 LEU 4 HD13 LEU 4 15.406 -4.109 0.005
33 HD21 LEU 4 HD21 LEU 4 16.933 -3.476 3.366
34 HD22 LEU 4 HD22 LEU 4 15.323 -4.126 3.679
35 HD23 LEU 4 HD23 LEU 4 15.634 -2.403 3.887
36 H ARG 5 HN ARG 5 14.273 -1.467 -2.051
37 HA ARG 5 HA ARG 5 12.095 -0.066 -0.683
38 HB2 ARG 5 HB2 ARG 5 12.416 -0.747 -3.605
39 HB3 ARG 5 HB1 ARG 5 11.132 0.231 -2.915
40 HG2 ARG 5 HG2 ARG 5 12.761 1.909 -2.234
41 HG3 ARG 5 HG1 ARG 5 14.062 0.922 -2.903
42 HD2 ARG 5 HD2 ARG 5 13.496 2.642 -4.486
43 HD3 ARG 5 HD1 ARG 5 12.980 1.082 -5.125
44 HE ARG 5 HE ARG 5 10.867 2.373 -3.708
45 HH11 ARG 5 HH11 ARG 5 12.582 2.389 -6.772
46 HH12 ARG 5 HH12 ARG 5 11.253 3.071 -7.647
47 HH21 ARG 5 HH21 ARG 5 9.142 3.265 -4.846
48 HH22 ARG 5 HH22 ARG 5 9.285 3.570 -6.554
49 H GLY 6 HN GLY 6 12.986 -3.065 -0.697
50 HA2 GLY 6 HA2 GLY 6 10.993 -4.664 -1.779
51 HA3 GLY 6 HA1 GLY 6 11.914 -5.068 -0.340
52 H ASP 7 HN ASP 7 11.102 -3.328 1.522
53 HA ASP 7 HA ASP 7 8.526 -4.303 2.208
54 HB2 ASP 7 HB2 ASP 7 8.724 -3.004 4.215
55 HB3 ASP 7 HB1 ASP 7 10.304 -3.695 3.867
56 H GLU 8 HN GLU 8 9.725 -1.418 0.724
57 HA GLU 8 HA GLU 8 7.482 0.239 1.042
58 HB2 GLU 8 HB2 GLU 8 9.687 1.059 0.350
59 HB3 GLU 8 HB1 GLU 8 9.540 0.191 -1.170
60 HG2 GLU 8 HG2 GLU 8 7.533 1.579 -1.673
61 HG3 GLU 8 HG1 GLU 8 7.903 2.529 -0.234
62 H ARG 9 HN ARG 9 8.338 -2.181 -1.365
63 HA ARG 9 HA ARG 9 6.247 -1.705 -3.185
64 HB2 ARG 9 HB2 ARG 9 7.793 -4.200 -2.510
65 HB3 ARG 9 HB1 ARG 9 6.590 -4.150 -3.787
66 HG2 ARG 9 HG2 ARG 9 9.063 -2.441 -3.662
67 HG3 ARG 9 HG1 ARG 9 8.868 -3.898 -4.639
68 HD2 ARG 9 HD2 ARG 9 7.281 -1.347 -4.871
69 HD3 ARG 9 HD1 ARG 9 8.502 -1.930 -5.999
70 HE ARG 9 HE ARG 9 6.772 -3.955 -6.043
71 HH11 ARG 9 HH11 ARG 9 6.194 -0.503 -6.139
72 HH12 ARG 9 HH12 ARG 9 4.793 -0.635 -7.156
73 HH21 ARG 9 HH21 ARG 9 4.931 -4.137 -7.381
74 HH22 ARG 9 HH22 ARG 9 4.074 -2.709 -7.864
75 H ILE 10 HN ILE 10 6.481 -3.854 -0.403
76 HA ILE 10 HA ILE 10 3.873 -4.937 -0.646
77 HB ILE 10 HB ILE 10 5.625 -4.701 1.811
78 HG12 ILE 10 HG12 ILE 10 5.238 -7.004 -0.120
79 HG13 ILE 10 HG11 ILE 10 6.658 -5.967 -0.051
80 HG21 ILE 10 HG21 ILE 10 3.229 -6.464 1.306
81 HG22 ILE 10 HG22 ILE 10 3.284 -5.082 2.398
82 HG23 ILE 10 HG23 ILE 10 4.262 -6.511 2.735
83 HD11 ILE 10 HD11 ILE 10 7.122 -6.763 2.208
84 HD12 ILE 10 HD12 ILE 10 7.066 -8.084 1.042
85 HD13 ILE 10 HD13 ILE 10 5.704 -7.806 2.126
86 H LEU 11 HN LEU 11 5.212 -2.125 0.928
87 HA LEU 11 HA LEU 11 2.933 -1.408 2.446
88 HB2 LEU 11 HB2 LEU 11 5.327 -0.616 2.753
89 HB3 LEU 11 HB1 LEU 11 5.068 0.441 1.384
90 HG LEU 11 HG LEU 11 3.338 0.599 3.845
91 HD11 LEU 11 HD11 LEU 11 5.912 2.068 3.281
92 HD12 LEU 11 HD12 LEU 11 5.645 0.878 4.556
93 HD13 LEU 11 HD13 LEU 11 4.794 2.421 4.599
94 HD21 LEU 11 HD21 LEU 11 2.500 1.706 1.830
95 HD22 LEU 11 HD22 LEU 11 4.018 2.592 1.683
96 HD23 LEU 11 HD23 LEU 11 2.958 2.881 3.063
97 H SER 12 HN SER 12 4.129 -0.392 -0.757
98 HA SER 12 HA SER 12 2.043 1.483 -1.178
99 HB2 SER 12 HB2 SER 12 2.841 1.518 -3.520
100 HB3 SER 12 HB1 SER 12 4.154 1.706 -2.359
101 HG SER 12 HG SER 12 5.021 0.098 -3.382
102 H ILE 13 HN ILE 13 2.521 -1.884 -2.165
103 HA ILE 13 HA ILE 13 0.172 -2.115 -3.691
104 HB ILE 13 HB ILE 13 1.679 -4.209 -2.121
105 HG12 ILE 13 HG12 ILE 13 1.534 -3.625 -5.088
106 HG13 ILE 13 HG11 ILE 13 2.871 -3.180 -4.035
107 HG21 ILE 13 HG21 ILE 13 -0.603 -4.958 -2.326
108 HG22 ILE 13 HG22 ILE 13 0.405 -5.869 -3.453
109 HG23 ILE 13 HG23 ILE 13 -0.618 -4.557 -4.043
110 HD11 ILE 13 HD11 ILE 13 3.394 -5.160 -5.327
111 HD12 ILE 13 HD12 ILE 13 1.977 -5.981 -4.674
112 HD13 ILE 13 HD13 ILE 13 3.313 -5.546 -3.608
113 H LEU 14 HN LEU 14 0.799 -2.612 -0.247
114 HA LEU 14 HA LEU 14 -1.842 -3.361 0.424
115 HB2 LEU 14 HB2 LEU 14 0.190 -3.711 1.848
116 HB3 LEU 14 HB1 LEU 14 0.173 -1.994 2.202
117 HG LEU 14 HG LEU 14 -2.072 -2.257 3.221
118 HD11 LEU 14 HD11 LEU 14 -2.851 -4.197 2.017
119 HD12 LEU 14 HD12 LEU 14 -2.848 -4.537 3.745
120 HD13 LEU 14 HD13 LEU 14 -1.571 -5.185 2.719
121 HD21 LEU 14 HD21 LEU 14 -0.037 -2.319 4.585
122 HD22 LEU 14 HD22 LEU 14 0.048 -4.067 4.370
123 HD23 LEU 14 HD23 LEU 14 -1.302 -3.350 5.248
124 H ARG 15 HN ARG 15 -0.222 -0.276 0.065
125 HA ARG 15 HA ARG 15 -2.277 1.343 1.123
126 HB2 ARG 15 HB2 ARG 15 0.020 2.160 0.693
127 HB3 ARG 15 HB1 ARG 15 -0.269 2.019 -1.036
128 HG2 ARG 15 HG2 ARG 15 -1.985 3.712 -0.929
129 HG3 ARG 15 HG1 ARG 15 -1.818 3.806 0.824
130 HD2 ARG 15 HD2 ARG 15 0.534 4.521 0.519
131 HD3 ARG 15 HD1 ARG 15 0.278 4.519 -1.225
132 HE ARG 15 HE ARG 15 -1.663 6.145 0.054
133 HH11 ARG 15 HH11 ARG 15 1.711 6.103 -0.886
134 HH12 ARG 15 HH12 ARG 15 1.839 7.829 -0.968
135 HH21 ARG 15 HH21 ARG 15 -1.494 8.410 -0.041
136 HH22 ARG 15 HH22 ARG 15 0.015 9.148 -0.481
137 H HIS 16 HN HIS 16 -1.658 -0.017 -2.053
138 HA HIS 16 HA HIS 16 -3.828 1.265 -3.362
139 HB2 HIS 16 HB2 HIS 16 -2.258 -1.226 -4.028
140 HB3 HIS 16 HB1 HIS 16 -3.572 -0.639 -5.038
141 HD1 HIS 16 HD1 HIS 16 -1.855 -0.261 -6.977
142 HD2 HIS 16 HD2 HIS 16 -1.188 2.043 -3.585
143 HE1 HIS 16 HE1 HIS 16 -0.206 1.506 -7.675
144 HE2 HIS 16 HE2 HIS 16 0.293 2.798 -5.567
145 H GLN 17 HN GLN 17 -3.519 -1.704 -1.511
146 HA GLN 17 HA GLN 17 -6.117 -2.695 -2.123
147 HB2 GLN 17 HB2 GLN 17 -4.366 -3.265 0.280
148 HB3 GLN 17 HB1 GLN 17 -5.815 -4.157 -0.149
149 HG2 GLN 17 HG2 GLN 17 -3.173 -4.100 -1.572
150 HG3 GLN 17 HG1 GLN 17 -4.016 -5.478 -0.867
151 HE21 GLN 17 HE21 GLN 17 -3.697 -3.415 -3.603
152 HE22 GLN 17 HE22 GLN 17 -4.766 -4.280 -4.651
153 H ASN 18 HN ASN 18 -4.809 -0.512 0.277
154 HA ASN 18 HA ASN 18 -7.085 -0.326 1.939
155 HB2 ASN 18 HB2 ASN 18 -4.878 0.489 2.644
156 HB3 ASN 18 HB1 ASN 18 -4.929 1.729 1.395
157 HD21 ASN 18 HD21 ASN 18 -4.816 3.465 2.751
158 HD22 ASN 18 HD22 ASN 18 -6.078 3.891 3.847
159 H LEU 19 HN LEU 19 -6.099 1.385 -0.965
160 HA LEU 19 HA LEU 19 -8.317 3.200 -0.922
161 HB2 LEU 19 HB2 LEU 19 -6.394 2.496 -3.137
162 HB3 LEU 19 HB1 LEU 19 -7.542 3.820 -3.183
163 HG LEU 19 HG LEU 19 -5.243 3.581 -1.237
164 HD11 LEU 19 HD11 LEU 19 -4.470 3.986 -3.507
165 HD12 LEU 19 HD12 LEU 19 -4.270 5.429 -2.515
166 HD13 LEU 19 HD13 LEU 19 -5.600 5.328 -3.668
167 HD21 LEU 19 HD21 LEU 19 -7.232 5.798 -1.722
168 HD22 LEU 19 HD22 LEU 19 -5.806 5.915 -0.693
169 HD23 LEU 19 HD23 LEU 19 -7.103 4.798 -0.276
170 H LEU 20 HN LEU 20 -7.572 0.132 -2.444
171 HA LEU 20 HA LEU 20 -9.813 0.082 -4.188
172 HB2 LEU 20 HB2 LEU 20 -7.731 -1.256 -4.480
173 HB3 LEU 20 HB1 LEU 20 -8.205 -2.229 -3.103
174 HG LEU 20 HG LEU 20 -10.254 -2.910 -4.362
175 HD11 LEU 20 HD11 LEU 20 -8.877 -1.486 -6.635
176 HD12 LEU 20 HD12 LEU 20 -10.407 -1.029 -5.886
177 HD13 LEU 20 HD13 LEU 20 -10.283 -2.538 -6.787
178 HD21 LEU 20 HD21 LEU 20 -8.264 -4.326 -4.274
179 HD22 LEU 20 HD22 LEU 20 -7.620 -3.513 -5.700
180 HD23 LEU 20 HD23 LEU 20 -9.092 -4.475 -5.823
181 H LYS 21 HN LYS 21 -9.307 -0.682 -0.864
182 HA LYS 21 HA LYS 21 -11.427 -2.394 -0.303
183 HB2 LYS 21 HB2 LYS 21 -9.645 -1.790 1.290
184 HB3 LYS 21 HB1 LYS 21 -10.308 -0.168 1.412
185 HG2 LYS 21 HG2 LYS 21 -12.423 -1.201 2.276
186 HG3 LYS 21 HG1 LYS 21 -11.556 -2.738 2.345
187 HD2 LYS 21 HD2 LYS 21 -10.798 -0.201 3.798
188 HD3 LYS 21 HD1 LYS 21 -11.552 -1.621 4.520
189 HE2 LYS 21 HE2 LYS 21 -8.838 -1.577 3.191
190 HE3 LYS 21 HE1 LYS 21 -9.117 -1.517 4.928
191 HZ1 LYS 21 HZ1 LYS 21 -8.590 -3.747 4.240
192 HZ2 LYS 21 HZ2 LYS 21 -9.855 -3.749 3.120
193 HZ3 LYS 21 HZ3 LYS 21 -10.194 -3.689 4.774
194 H GLU 22 HN GLU 22 -13.454 -2.069 -0.950
195 HA GLU 22 HA GLU 22 -15.442 -1.102 -1.439
196 HB2 GLU 22 HB2 GLU 22 -14.680 0.620 0.922
197 HB3 GLU 22 HB1 GLU 22 -16.270 0.623 0.170
198 HG2 GLU 22 HG2 GLU 22 -16.486 -1.777 0.702
199 HG3 GLU 22 HG1 GLU 22 -14.937 -1.702 1.540
200 H LEU 23 HN LEU 23 -13.537 -0.352 -3.141
201 HA LEU 23 HA LEU 23 -13.436 2.508 -3.448
202 HB2 LEU 23 HB2 LEU 23 -11.601 1.045 -4.204
203 HB3 LEU 23 HB1 LEU 23 -12.680 0.299 -5.366
204 HG LEU 23 HG LEU 23 -12.915 2.510 -6.494
205 HD11 LEU 23 HD11 LEU 23 -10.737 3.317 -4.574
206 HD12 LEU 23 HD12 LEU 23 -12.375 3.968 -4.639
207 HD13 LEU 23 HD13 LEU 23 -11.260 4.250 -5.975
208 HD21 LEU 23 HD21 LEU 23 -10.115 1.426 -6.230
209 HD22 LEU 23 HD22 LEU 23 -10.690 2.470 -7.529
210 HD23 LEU 23 HD23 LEU 23 -11.359 0.850 -7.339
211 H GLN 24 HN GLN 24 -15.655 3.013 -3.463
212 HA GLN 24 HA GLN 24 -17.178 2.008 -5.762
213 HB2 GLN 24 HB2 GLN 24 -18.175 3.416 -3.277
214 HB3 GLN 24 HB1 GLN 24 -19.177 2.731 -4.549
215 HG2 GLN 24 HG2 GLN 24 -17.400 1.233 -2.636
216 HG3 GLN 24 HG1 GLN 24 -19.161 1.248 -2.667
217 HE21 GLN 24 HE21 GLN 24 -20.242 0.100 -4.283
218 HE22 GLN 24 HE22 GLN 24 -19.454 -1.122 -5.219
219 H ASP 25 HN ASP 25 -17.636 3.346 -7.409
220 HA ASP 25 HA ASP 25 -16.988 6.190 -7.033
221 HB2 ASP 25 HB2 ASP 25 -16.852 4.468 -9.513
222 HB3 ASP 25 HB1 ASP 25 -16.714 6.221 -9.546
Start of MODEL 3
1 H1 PHE 1 HT1 PHE 1 23.486 4.107 4.037
2 H2 PHE 1 HT2 PHE 1 23.879 2.702 4.884
3 H3 PHE 1 HT3 PHE 1 23.852 4.192 5.686
4 HA PHE 1 HA PHE 1 21.899 2.946 6.247
5 HB2 PHE 1 HB2 PHE 1 21.701 5.393 6.057
6 HB3 PHE 1 HB1 PHE 1 21.322 5.238 4.348
7 HD1 PHE 1 HD1 PHE 1 20.104 3.872 7.601
8 HD2 PHE 1 HD2 PHE 1 19.123 5.443 3.771
9 HE1 PHE 1 HE1 PHE 1 17.712 3.726 8.156
10 HE2 PHE 1 HE2 PHE 1 16.733 5.298 4.320
11 HZ PHE 1 HZ PHE 1 16.021 4.439 6.514
12 H GLU 2 HN GLU 2 21.625 3.858 2.817
13 HA GLU 2 HA GLU 2 20.812 2.813 0.998
14 HB2 GLU 2 HB2 GLU 2 22.339 0.966 1.628
15 HB3 GLU 2 HB1 GLU 2 21.059 0.260 2.604
16 HG2 GLU 2 HG2 GLU 2 21.300 -0.833 0.425
17 HG3 GLU 2 HG1 GLU 2 19.706 -0.106 0.639
18 H THR 3 HN THR 3 18.810 3.265 0.495
19 HA THR 3 HA THR 3 16.636 2.988 2.291
20 HB THR 3 HB THR 3 15.263 3.584 0.246
21 HG1 THR 3 HG1 THR 3 17.155 2.720 -1.126
22 HG21 THR 3 HG21 THR 3 16.085 5.888 0.174
23 HG22 THR 3 HG22 THR 3 17.582 5.379 0.952
24 HG23 THR 3 HG23 THR 3 16.053 5.271 1.824
25 H LEU 4 HN LEU 4 15.651 1.145 2.782
26 HA LEU 4 HA LEU 4 15.831 -1.139 1.005
27 HB2 LEU 4 HB2 LEU 4 16.127 -1.383 3.451
28 HB3 LEU 4 HB1 LEU 4 14.470 -0.867 3.685
29 HG LEU 4 HG LEU 4 13.695 -2.857 2.449
30 HD11 LEU 4 HD11 LEU 4 15.646 -3.201 1.032
31 HD12 LEU 4 HD12 LEU 4 15.276 -4.656 1.957
32 HD13 LEU 4 HD13 LEU 4 16.612 -3.616 2.448
33 HD21 LEU 4 HD21 LEU 4 14.225 -4.485 4.181
34 HD22 LEU 4 HD22 LEU 4 13.870 -2.906 4.879
35 HD23 LEU 4 HD23 LEU 4 15.539 -3.459 4.752
36 H ARG 5 HN ARG 5 14.611 -0.221 -0.705
37 HA ARG 5 HA ARG 5 11.868 0.536 -0.208
38 HB2 ARG 5 HB2 ARG 5 13.415 0.368 -2.788
39 HB3 ARG 5 HB1 ARG 5 11.795 1.026 -2.621
40 HG2 ARG 5 HG2 ARG 5 12.736 2.700 -1.011
41 HG3 ARG 5 HG1 ARG 5 14.342 2.117 -1.457
42 HD2 ARG 5 HD2 ARG 5 13.757 4.098 -2.745
43 HD3 ARG 5 HD1 ARG 5 13.892 2.686 -3.794
44 HE ARG 5 HE ARG 5 11.229 3.416 -2.812
45 HH11 ARG 5 HH11 ARG 5 13.517 3.305 -5.475
46 HH12 ARG 5 HH12 ARG 5 12.304 3.577 -6.684
47 HH21 ARG 5 HH21 ARG 5 9.647 3.740 -4.399
48 HH22 ARG 5 HH22 ARG 5 10.106 3.840 -6.076
49 H GLY 6 HN GLY 6 13.303 -2.369 -0.501
50 HA2 GLY 6 HA2 GLY 6 11.607 -3.831 -2.190
51 HA3 GLY 6 HA1 GLY 6 12.429 -4.481 -0.776
52 H ASP 7 HN ASP 7 11.309 -3.174 1.291
53 HA ASP 7 HA ASP 7 8.769 -4.429 1.481
54 HB2 ASP 7 HB2 ASP 7 10.229 -2.587 3.368
55 HB3 ASP 7 HB1 ASP 7 8.663 -3.304 3.738
56 H GLU 8 HN GLU 8 9.790 -1.368 0.427
57 HA GLU 8 HA GLU 8 7.514 0.185 0.958
58 HB2 GLU 8 HB2 GLU 8 9.641 1.127 0.143
59 HB3 GLU 8 HB1 GLU 8 9.395 0.334 -1.405
60 HG2 GLU 8 HG2 GLU 8 7.225 1.665 -1.541
61 HG3 GLU 8 HG1 GLU 8 7.878 2.623 -0.214
62 H ARG 9 HN ARG 9 8.272 -2.160 -1.539
63 HA ARG 9 HA ARG 9 6.045 -1.675 -3.209
64 HB2 ARG 9 HB2 ARG 9 7.798 -4.084 -2.784
65 HB3 ARG 9 HB1 ARG 9 6.452 -4.108 -3.914
66 HG2 ARG 9 HG2 ARG 9 8.679 -2.090 -4.042
67 HG3 ARG 9 HG1 ARG 9 8.698 -3.621 -4.915
68 HD2 ARG 9 HD2 ARG 9 6.597 -1.472 -5.188
69 HD3 ARG 9 HD1 ARG 9 7.912 -1.767 -6.322
70 HE ARG 9 HE ARG 9 6.578 -4.168 -6.093
71 HH11 ARG 9 HH11 ARG 9 5.778 -0.909 -7.097
72 HH12 ARG 9 HH12 ARG 9 4.538 -1.413 -8.199
73 HH21 ARG 9 HH21 ARG 9 4.944 -4.833 -7.544
74 HH22 ARG 9 HH22 ARG 9 4.069 -3.649 -8.458
75 H ILE 10 HN ILE 10 6.523 -3.723 -0.401
76 HA ILE 10 HA ILE 10 3.972 -4.957 -0.466
77 HB ILE 10 HB ILE 10 5.803 -4.443 1.888
78 HG12 ILE 10 HG12 ILE 10 5.355 -6.946 0.247
79 HG13 ILE 10 HG11 ILE 10 6.764 -5.900 0.130
80 HG21 ILE 10 HG21 ILE 10 3.399 -6.253 1.690
81 HG22 ILE 10 HG22 ILE 10 3.514 -4.774 2.642
82 HG23 ILE 10 HG23 ILE 10 4.510 -6.169 3.057
83 HD11 ILE 10 HD11 ILE 10 7.334 -6.423 2.452
84 HD12 ILE 10 HD12 ILE 10 7.248 -7.872 1.449
85 HD13 ILE 10 HD13 ILE 10 5.926 -7.482 2.549
86 H LEU 11 HN LEU 11 5.248 -2.038 0.995
87 HA LEU 11 HA LEU 11 2.954 -1.310 2.468
88 HB2 LEU 11 HB2 LEU 11 5.317 -0.461 2.762
89 HB3 LEU 11 HB1 LEU 11 5.068 0.528 1.341
90 HG LEU 11 HG LEU 11 3.272 0.790 3.741
91 HD11 LEU 11 HD11 LEU 11 4.738 2.640 4.467
92 HD12 LEU 11 HD12 LEU 11 5.912 2.159 3.243
93 HD13 LEU 11 HD13 LEU 11 5.524 1.066 4.569
94 HD21 LEU 11 HD21 LEU 11 2.964 3.055 2.869
95 HD22 LEU 11 HD22 LEU 11 2.535 1.846 1.657
96 HD23 LEU 11 HD23 LEU 11 4.073 2.704 1.542
97 H SER 12 HN SER 12 4.098 -0.448 -0.784
98 HA SER 12 HA SER 12 2.040 1.442 -1.255
99 HB2 SER 12 HB2 SER 12 2.827 1.317 -3.625
100 HB3 SER 12 HB1 SER 12 4.100 1.655 -2.454
101 HG SER 12 HG SER 12 5.064 -0.072 -3.122
102 H ILE 13 HN ILE 13 2.444 -1.964 -2.151
103 HA ILE 13 HA ILE 13 0.052 -2.130 -3.644
104 HB ILE 13 HB ILE 13 1.581 -4.286 -2.186
105 HG12 ILE 13 HG12 ILE 13 1.396 -3.582 -5.125
106 HG13 ILE 13 HG11 ILE 13 2.754 -3.199 -4.075
107 HG21 ILE 13 HG21 ILE 13 -0.724 -4.991 -2.387
108 HG22 ILE 13 HG22 ILE 13 0.268 -5.889 -3.537
109 HG23 ILE 13 HG23 ILE 13 -0.741 -4.554 -4.095
110 HD11 ILE 13 HD11 ILE 13 1.811 -5.961 -4.797
111 HD12 ILE 13 HD12 ILE 13 3.177 -5.573 -3.753
112 HD13 ILE 13 HD13 ILE 13 3.219 -5.133 -5.460
113 H LEU 14 HN LEU 14 0.794 -2.715 -0.243
114 HA LEU 14 HA LEU 14 -1.784 -3.445 0.591
115 HB2 LEU 14 HB2 LEU 14 0.231 -3.697 1.982
116 HB3 LEU 14 HB1 LEU 14 0.360 -1.954 2.110
117 HG LEU 14 HG LEU 14 -1.839 -1.932 3.294
118 HD11 LEU 14 HD11 LEU 14 -1.475 -4.923 3.311
119 HD12 LEU 14 HD12 LEU 14 -2.707 -4.042 2.409
120 HD13 LEU 14 HD13 LEU 14 -2.719 -4.017 4.172
121 HD21 LEU 14 HD21 LEU 14 0.254 -1.857 4.531
122 HD22 LEU 14 HD22 LEU 14 0.335 -3.620 4.526
123 HD23 LEU 14 HD23 LEU 14 -0.954 -2.798 5.406
124 H ARG 15 HN ARG 15 -0.191 -0.320 0.265
125 HA ARG 15 HA ARG 15 -2.255 1.315 1.203
126 HB2 ARG 15 HB2 ARG 15 -0.003 2.160 0.854
127 HB3 ARG 15 HB1 ARG 15 -0.128 1.863 -0.872
128 HG2 ARG 15 HG2 ARG 15 -1.910 3.553 -1.015
129 HG3 ARG 15 HG1 ARG 15 -1.717 3.876 0.709
130 HD2 ARG 15 HD2 ARG 15 0.573 4.584 0.355
131 HD3 ARG 15 HD1 ARG 15 0.464 4.163 -1.353
132 HE ARG 15 HE ARG 15 -1.521 6.075 -0.563
133 HH11 ARG 15 HH11 ARG 15 1.835 5.720 -1.516
134 HH12 ARG 15 HH12 ARG 15 1.962 7.340 -2.122
135 HH21 ARG 15 HH21 ARG 15 -1.352 8.195 -1.366
136 HH22 ARG 15 HH22 ARG 15 0.151 8.746 -2.040
137 H HIS 16 HN HIS 16 -1.616 -0.019 -2.004
138 HA HIS 16 HA HIS 16 -3.733 1.386 -3.293
139 HB2 HIS 16 HB2 HIS 16 -2.251 -1.118 -4.107
140 HB3 HIS 16 HB1 HIS 16 -3.433 -0.305 -5.120
141 HD1 HIS 16 HD1 HIS 16 -0.626 -0.605 -6.179
142 HD2 HIS 16 HD2 HIS 16 -1.850 2.675 -3.945
143 HE1 HIS 16 HE1 HIS 16 0.974 1.239 -6.762
144 HE2 HIS 16 HE2 HIS 16 0.161 3.244 -5.469
145 H GLN 17 HN GLN 17 -3.508 -1.701 -1.637
146 HA GLN 17 HA GLN 17 -6.110 -2.590 -2.384
147 HB2 GLN 17 HB2 GLN 17 -4.336 -3.387 -0.068
148 HB3 GLN 17 HB1 GLN 17 -5.869 -4.163 -0.442
149 HG2 GLN 17 HG2 GLN 17 -3.380 -4.124 -2.134
150 HG3 GLN 17 HG1 GLN 17 -4.118 -5.508 -1.330
151 HE21 GLN 17 HE21 GLN 17 -3.486 -5.054 -4.160
152 HE22 GLN 17 HE22 GLN 17 -4.974 -5.255 -5.016
153 H ASN 18 HN ASN 18 -4.819 -0.640 0.226
154 HA ASN 18 HA ASN 18 -7.152 -0.460 1.792
155 HB2 ASN 18 HB2 ASN 18 -5.063 0.281 2.716
156 HB3 ASN 18 HB1 ASN 18 -4.829 1.434 1.409
157 HD21 ASN 18 HD21 ASN 18 -4.619 3.196 2.742
158 HD22 ASN 18 HD22 ASN 18 -5.941 3.852 3.638
159 H LEU 19 HN LEU 19 -6.000 1.404 -0.959
160 HA LEU 19 HA LEU 19 -8.158 3.285 -0.891
161 HB2 LEU 19 HB2 LEU 19 -6.182 2.682 -3.088
162 HB3 LEU 19 HB1 LEU 19 -7.234 4.080 -3.015
163 HG LEU 19 HG LEU 19 -5.024 3.468 -1.052
164 HD11 LEU 19 HD11 LEU 19 -5.167 5.499 -3.273
165 HD12 LEU 19 HD12 LEU 19 -4.162 4.050 -3.256
166 HD13 LEU 19 HD13 LEU 19 -3.865 5.344 -2.093
167 HD21 LEU 19 HD21 LEU 19 -6.802 4.706 0.007
168 HD22 LEU 19 HD22 LEU 19 -6.857 5.843 -1.338
169 HD23 LEU 19 HD23 LEU 19 -5.440 5.785 -0.293
170 H LEU 20 HN LEU 20 -7.787 0.132 -2.101
171 HA LEU 20 HA LEU 20 -9.979 0.425 -4.017
172 HB2 LEU 20 HB2 LEU 20 -7.912 -0.815 -4.659
173 HB3 LEU 20 HB1 LEU 20 -8.252 -1.977 -3.394
174 HG LEU 20 HG LEU 20 -10.370 -2.566 -4.564
175 HD11 LEU 20 HD11 LEU 20 -10.732 -0.497 -5.778
176 HD12 LEU 20 HD12 LEU 20 -10.653 -1.859 -6.895
177 HD13 LEU 20 HD13 LEU 20 -9.272 -0.775 -6.726
178 HD21 LEU 20 HD21 LEU 20 -7.847 -2.853 -6.189
179 HD22 LEU 20 HD22 LEU 20 -9.301 -3.837 -6.358
180 HD23 LEU 20 HD23 LEU 20 -8.360 -3.904 -4.868
181 H LYS 21 HN LYS 21 -9.651 -0.012 -0.819
182 HA LYS 21 HA LYS 21 -11.857 -1.951 -0.619
183 HB2 LYS 21 HB2 LYS 21 -9.651 -2.674 0.328
184 HB3 LYS 21 HB1 LYS 21 -9.752 -1.332 1.453
185 HG2 LYS 21 HG2 LYS 21 -11.743 -2.280 2.454
186 HG3 LYS 21 HG1 LYS 21 -11.714 -3.603 1.287
187 HD2 LYS 21 HD2 LYS 21 -10.762 -4.367 3.368
188 HD3 LYS 21 HD1 LYS 21 -9.493 -4.271 2.151
189 HE2 LYS 21 HE2 LYS 21 -8.700 -3.394 4.274
190 HE3 LYS 21 HE1 LYS 21 -8.780 -2.108 3.073
191 HZ1 LYS 21 HZ1 LYS 21 -10.833 -1.348 4.041
192 HZ2 LYS 21 HZ2 LYS 21 -9.652 -1.433 5.242
193 HZ3 LYS 21 HZ3 LYS 21 -10.842 -2.628 5.144
194 H GLU 22 HN GLU 22 -13.497 -1.533 0.892
195 HA GLU 22 HA GLU 22 -15.024 -0.259 1.989
196 HB2 GLU 22 HB2 GLU 22 -13.104 -0.186 3.623
197 HB3 GLU 22 HB1 GLU 22 -12.649 1.361 2.925
198 HG2 GLU 22 HG2 GLU 22 -14.913 2.212 3.544
199 HG3 GLU 22 HG1 GLU 22 -15.178 0.699 4.407
200 H LEU 23 HN LEU 23 -14.953 0.340 -0.583
201 HA LEU 23 HA LEU 23 -14.517 3.161 -1.017
202 HB2 LEU 23 HB2 LEU 23 -15.655 1.007 -2.802
203 HB3 LEU 23 HB1 LEU 23 -15.389 2.665 -3.303
204 HG LEU 23 HG LEU 23 -13.230 0.746 -2.417
205 HD11 LEU 23 HD11 LEU 23 -12.546 0.769 -4.759
206 HD12 LEU 23 HD12 LEU 23 -13.929 1.783 -5.160
207 HD13 LEU 23 HD13 LEU 23 -14.182 0.138 -4.582
208 HD21 LEU 23 HD21 LEU 23 -11.702 2.492 -3.250
209 HD22 LEU 23 HD22 LEU 23 -12.658 3.033 -1.870
210 HD23 LEU 23 HD23 LEU 23 -13.086 3.557 -3.498
211 H GLN 24 HN GLN 24 -16.137 3.231 0.938
212 HA GLN 24 HA GLN 24 -18.916 3.264 0.035
213 HB2 GLN 24 HB2 GLN 24 -17.740 3.816 2.770
214 HB3 GLN 24 HB1 GLN 24 -19.451 3.664 2.399
215 HG2 GLN 24 HG2 GLN 24 -17.398 1.476 2.115
216 HG3 GLN 24 HG1 GLN 24 -18.539 1.650 3.445
217 HE21 GLN 24 HE21 GLN 24 -20.711 1.209 3.098
218 HE22 GLN 24 HE22 GLN 24 -21.262 0.331 1.713
219 H ASP 25 HN ASP 25 -18.153 5.055 -1.465
220 HA ASP 25 HA ASP 25 -18.028 7.634 -0.057
221 HB2 ASP 25 HB2 ASP 25 -16.007 7.106 -1.371
222 HB3 ASP 25 HB1 ASP 25 -16.998 6.947 -2.819
Start of MODEL 4
1 H1 PHE 1 HT1 PHE 1 25.106 2.131 -0.089
2 H2 PHE 1 HT2 PHE 1 24.147 2.180 1.305
3 H3 PHE 1 HT3 PHE 1 25.038 3.539 0.845
4 HA PHE 1 HA PHE 1 22.705 3.811 0.333
5 HB2 PHE 1 HB2 PHE 1 24.546 4.800 -1.100
6 HB3 PHE 1 HB1 PHE 1 24.300 3.459 -2.212
7 HD1 PHE 1 HD1 PHE 1 22.420 6.181 -0.512
8 HD2 PHE 1 HD2 PHE 1 22.792 3.700 -3.946
9 HE1 PHE 1 HE1 PHE 1 20.613 7.432 -1.604
10 HE2 PHE 1 HE2 PHE 1 20.982 4.951 -5.047
11 HZ PHE 1 HZ PHE 1 19.889 6.821 -3.877
12 H GLU 2 HN GLU 2 23.540 0.726 0.285
13 HA GLU 2 HA GLU 2 21.821 -0.226 -1.823
14 HB2 GLU 2 HB2 GLU 2 23.041 -1.744 0.494
15 HB3 GLU 2 HB1 GLU 2 22.283 -2.463 -0.920
16 HG2 GLU 2 HG2 GLU 2 24.837 -0.874 -0.829
17 HG3 GLU 2 HG1 GLU 2 24.653 -2.593 -1.168
18 H THR 3 HN THR 3 20.117 1.252 -0.938
19 HA THR 3 HA THR 3 18.814 0.674 1.502
20 HB THR 3 HB THR 3 16.938 2.043 0.466
21 HG1 THR 3 HG1 THR 3 17.985 1.456 -1.757
22 HG21 THR 3 HG21 THR 3 19.706 3.250 0.494
23 HG22 THR 3 HG22 THR 3 18.671 3.020 1.903
24 HG23 THR 3 HG23 THR 3 18.187 4.135 0.626
25 H LEU 4 HN LEU 4 17.710 -1.097 1.942
26 HA LEU 4 HA LEU 4 16.642 -2.758 -0.155
27 HB2 LEU 4 HB2 LEU 4 17.692 -3.724 1.864
28 HB3 LEU 4 HB1 LEU 4 16.418 -3.024 2.844
29 HG LEU 4 HG LEU 4 14.768 -4.435 1.634
30 HD11 LEU 4 HD11 LEU 4 15.956 -4.762 -0.445
31 HD12 LEU 4 HD12 LEU 4 15.604 -6.322 0.298
32 HD13 LEU 4 HD13 LEU 4 17.230 -5.647 0.393
33 HD21 LEU 4 HD21 LEU 4 17.031 -5.923 2.954
34 HD22 LEU 4 HD22 LEU 4 15.393 -6.533 2.720
35 HD23 LEU 4 HD23 LEU 4 15.676 -5.150 3.775
36 H ARG 5 HN ARG 5 14.995 -1.722 -1.137
37 HA ARG 5 HA ARG 5 12.783 -0.780 0.547
38 HB2 ARG 5 HB2 ARG 5 13.304 -0.150 -2.357
39 HB3 ARG 5 HB1 ARG 5 12.062 0.563 -1.341
40 HG2 ARG 5 HG2 ARG 5 14.009 1.370 0.126
41 HG3 ARG 5 HG1 ARG 5 15.024 0.993 -1.267
42 HD2 ARG 5 HD2 ARG 5 14.458 3.299 -1.413
43 HD3 ARG 5 HD1 ARG 5 13.516 2.453 -2.642
44 HE ARG 5 HE ARG 5 11.981 2.607 -0.304
45 HH11 ARG 5 HH11 ARG 5 13.272 4.748 -2.763
46 HH12 ARG 5 HH12 ARG 5 12.013 5.926 -2.572
47 HH21 ARG 5 HH21 ARG 5 10.339 4.154 -0.039
48 HH22 ARG 5 HH22 ARG 5 10.344 5.592 -1.022
49 H GLY 6 HN GLY 6 13.118 -3.498 0.180
50 HA2 GLY 6 HA2 GLY 6 11.445 -4.478 -1.932
51 HA3 GLY 6 HA1 GLY 6 12.036 -5.402 -0.558
52 H ASP 7 HN ASP 7 11.020 -4.061 1.563
53 HA ASP 7 HA ASP 7 8.326 -4.934 1.565
54 HB2 ASP 7 HB2 ASP 7 9.790 -3.234 3.589
55 HB3 ASP 7 HB1 ASP 7 8.204 -3.953 3.835
56 H GLU 8 HN GLU 8 9.843 -2.001 0.746
57 HA GLU 8 HA GLU 8 7.830 -0.119 1.132
58 HB2 GLU 8 HB2 GLU 8 10.205 0.278 0.371
59 HB3 GLU 8 HB1 GLU 8 9.702 -0.236 -1.231
60 HG2 GLU 8 HG2 GLU 8 9.651 2.094 -1.283
61 HG3 GLU 8 HG1 GLU 8 7.967 1.596 -1.121
62 H ARG 9 HN ARG 9 8.281 -2.541 -1.369
63 HA ARG 9 HA ARG 9 6.209 -1.632 -3.096
64 HB2 ARG 9 HB2 ARG 9 7.588 -4.295 -2.786
65 HB3 ARG 9 HB1 ARG 9 6.326 -4.021 -3.976
66 HG2 ARG 9 HG2 ARG 9 8.914 -2.491 -3.819
67 HG3 ARG 9 HG1 ARG 9 8.585 -3.832 -4.917
68 HD2 ARG 9 HD2 ARG 9 7.166 -1.173 -4.837
69 HD3 ARG 9 HD1 ARG 9 8.283 -1.734 -6.078
70 HE ARG 9 HE ARG 9 6.375 -3.623 -6.151
71 HH11 ARG 9 HH11 ARG 9 6.187 -0.132 -6.139
72 HH12 ARG 9 HH12 ARG 9 4.742 -0.071 -7.093
73 HH21 ARG 9 HH21 ARG 9 4.446 -3.557 -7.389
74 HH22 ARG 9 HH22 ARG 9 3.746 -2.021 -7.791
75 H ILE 10 HN ILE 10 6.358 -3.924 -0.440
76 HA ILE 10 HA ILE 10 3.674 -4.822 -0.674
77 HB ILE 10 HB ILE 10 5.478 -4.810 1.758
78 HG12 ILE 10 HG12 ILE 10 4.883 -7.018 -0.230
79 HG13 ILE 10 HG11 ILE 10 6.370 -6.080 -0.186
80 HG21 ILE 10 HG21 ILE 10 3.120 -5.037 2.361
81 HG22 ILE 10 HG22 ILE 10 3.993 -6.541 2.642
82 HG23 ILE 10 HG23 ILE 10 2.953 -6.377 1.228
83 HD11 ILE 10 HD11 ILE 10 6.831 -6.958 2.058
84 HD12 ILE 10 HD12 ILE 10 6.698 -8.232 0.846
85 HD13 ILE 10 HD13 ILE 10 5.364 -7.929 1.959
86 H LEU 11 HN LEU 11 5.258 -2.165 0.954
87 HA LEU 11 HA LEU 11 3.093 -1.252 2.504
88 HB2 LEU 11 HB2 LEU 11 5.529 -0.563 2.658
89 HB3 LEU 11 HB1 LEU 11 5.256 0.443 1.255
90 HG LEU 11 HG LEU 11 3.667 0.800 3.789
91 HD11 LEU 11 HD11 LEU 11 6.257 2.135 3.021
92 HD12 LEU 11 HD12 LEU 11 6.030 0.994 4.346
93 HD13 LEU 11 HD13 LEU 11 5.238 2.569 4.393
94 HD21 LEU 11 HD21 LEU 11 3.337 3.053 2.925
95 HD22 LEU 11 HD22 LEU 11 2.775 1.854 1.761
96 HD23 LEU 11 HD23 LEU 11 4.319 2.669 1.512
97 H SER 12 HN SER 12 4.156 -0.440 -0.794
98 HA SER 12 HA SER 12 2.112 1.518 -1.160
99 HB2 SER 12 HB2 SER 12 2.878 1.486 -3.538
100 HB3 SER 12 HB1 SER 12 4.169 1.764 -2.372
101 HG SER 12 HG SER 12 5.103 0.141 -3.301
102 H ILE 13 HN ILE 13 2.516 -1.858 -2.154
103 HA ILE 13 HA ILE 13 0.143 -1.972 -3.680
104 HB ILE 13 HB ILE 13 1.655 -4.186 -2.293
105 HG12 ILE 13 HG12 ILE 13 1.511 -3.342 -5.198
106 HG13 ILE 13 HG11 ILE 13 2.859 -3.027 -4.112
107 HG21 ILE 13 HG21 ILE 13 -0.646 -4.364 -4.239
108 HG22 ILE 13 HG22 ILE 13 -0.636 -4.899 -2.558
109 HG23 ILE 13 HG23 ILE 13 0.369 -5.721 -3.750
110 HD11 ILE 13 HD11 ILE 13 3.254 -5.425 -3.908
111 HD12 ILE 13 HD12 ILE 13 3.335 -4.889 -5.587
112 HD13 ILE 13 HD13 ILE 13 1.904 -5.738 -5.000
113 H LEU 14 HN LEU 14 0.809 -2.631 -0.259
114 HA LEU 14 HA LEU 14 -1.819 -3.391 0.420
115 HB2 LEU 14 HB2 LEU 14 0.164 -3.712 1.886
116 HB3 LEU 14 HB1 LEU 14 0.204 -1.981 2.164
117 HG LEU 14 HG LEU 14 -2.065 -2.136 3.172
118 HD11 LEU 14 HD11 LEU 14 -1.600 -5.096 2.863
119 HD12 LEU 14 HD12 LEU 14 -2.861 -4.138 2.086
120 HD13 LEU 14 HD13 LEU 14 -2.876 -4.365 3.834
121 HD21 LEU 14 HD21 LEU 14 -0.070 -2.123 4.573
122 HD22 LEU 14 HD22 LEU 14 0.045 -3.878 4.438
123 HD23 LEU 14 HD23 LEU 14 -1.327 -3.144 5.267
124 H ARG 15 HN ARG 15 -0.212 -0.249 0.232
125 HA ARG 15 HA ARG 15 -2.328 1.330 1.160
126 HB2 ARG 15 HB2 ARG 15 -0.120 2.273 0.844
127 HB3 ARG 15 HB1 ARG 15 -0.190 1.955 -0.883
128 HG2 ARG 15 HG2 ARG 15 -1.988 3.567 -1.130
129 HG3 ARG 15 HG1 ARG 15 -1.987 3.857 0.610
130 HD2 ARG 15 HD2 ARG 15 0.305 4.690 0.476
131 HD3 ARG 15 HD1 ARG 15 0.322 4.383 -1.260
132 HE ARG 15 HE ARG 15 -1.850 6.069 -0.631
133 HH11 ARG 15 HH11 ARG 15 1.651 6.138 -0.753
134 HH12 ARG 15 HH12 ARG 15 1.728 7.828 -1.130
135 HH21 ARG 15 HH21 ARG 15 -1.752 8.282 -1.113
136 HH22 ARG 15 HH22 ARG 15 -0.212 9.053 -1.335
137 H HIS 16 HN HIS 16 -1.661 -0.072 -1.985
138 HA HIS 16 HA HIS 16 -3.793 1.229 -3.347
139 HB2 HIS 16 HB2 HIS 16 -2.374 -1.360 -4.017
140 HB3 HIS 16 HB1 HIS 16 -3.488 -0.518 -5.085
141 HD1 HIS 16 HD1 HIS 16 -0.413 -1.102 -5.656
142 HD2 HIS 16 HD2 HIS 16 -2.046 2.507 -4.395
143 HE1 HIS 16 HE1 HIS 16 1.236 0.664 -6.348
144 HE2 HIS 16 HE2 HIS 16 0.134 2.847 -5.747
145 H GLN 17 HN GLN 17 -3.508 -1.805 -1.574
146 HA GLN 17 HA GLN 17 -6.088 -2.785 -2.234
147 HB2 GLN 17 HB2 GLN 17 -4.324 -3.391 0.148
148 HB3 GLN 17 HB1 GLN 17 -5.800 -4.262 -0.245
149 HG2 GLN 17 HG2 GLN 17 -3.262 -4.158 -1.859
150 HG3 GLN 17 HG1 GLN 17 -3.941 -5.542 -1.007
151 HE21 GLN 17 HE21 GLN 17 -3.250 -5.162 -3.834
152 HE22 GLN 17 HE22 GLN 17 -4.692 -5.516 -4.719
153 H ASN 18 HN ASN 18 -4.865 -0.608 0.193
154 HA ASN 18 HA ASN 18 -7.145 -0.420 1.816
155 HB2 ASN 18 HB2 ASN 18 -5.011 0.566 2.487
156 HB3 ASN 18 HB1 ASN 18 -5.083 1.691 1.135
157 HD21 ASN 18 HD21 ASN 18 -5.089 3.553 2.308
158 HD22 ASN 18 HD22 ASN 18 -6.376 4.007 3.365
159 H LEU 19 HN LEU 19 -6.201 1.296 -1.112
160 HA LEU 19 HA LEU 19 -8.536 2.934 -1.212
161 HB2 LEU 19 HB2 LEU 19 -6.552 2.234 -3.377
162 HB3 LEU 19 HB1 LEU 19 -7.753 3.508 -3.476
163 HG LEU 19 HG LEU 19 -5.431 3.428 -1.543
164 HD11 LEU 19 HD11 LEU 19 -5.925 5.149 -3.969
165 HD12 LEU 19 HD12 LEU 19 -4.740 3.849 -3.846
166 HD13 LEU 19 HD13 LEU 19 -4.568 5.296 -2.853
167 HD21 LEU 19 HD21 LEU 19 -7.560 5.515 -2.004
168 HD22 LEU 19 HD22 LEU 19 -6.115 5.743 -1.020
169 HD23 LEU 19 HD23 LEU 19 -7.324 4.552 -0.544
170 H LEU 20 HN LEU 20 -7.492 -0.035 -2.845
171 HA LEU 20 HA LEU 20 -9.716 -0.358 -4.518
172 HB2 LEU 20 HB2 LEU 20 -7.878 -2.399 -3.271
173 HB3 LEU 20 HB1 LEU 20 -9.086 -2.794 -4.476
174 HG LEU 20 HG LEU 20 -6.799 -0.877 -4.927
175 HD11 LEU 20 HD11 LEU 20 -7.120 -3.747 -5.791
176 HD12 LEU 20 HD12 LEU 20 -5.978 -3.147 -4.589
177 HD13 LEU 20 HD13 LEU 20 -5.818 -2.662 -6.277
178 HD21 LEU 20 HD21 LEU 20 -8.743 -0.431 -6.326
179 HD22 LEU 20 HD22 LEU 20 -8.782 -2.120 -6.828
180 HD23 LEU 20 HD23 LEU 20 -7.420 -1.096 -7.281
181 H LYS 21 HN LYS 21 -9.274 -0.979 -1.142
182 HA LYS 21 HA LYS 21 -11.595 -2.605 -0.802
183 HB2 LYS 21 HB2 LYS 21 -9.640 -2.572 0.755
184 HB3 LYS 21 HB1 LYS 21 -10.123 -0.959 1.260
185 HG2 LYS 21 HG2 LYS 21 -12.297 -1.911 2.006
186 HG3 LYS 21 HG1 LYS 21 -11.663 -3.515 1.636
187 HD2 LYS 21 HD2 LYS 21 -10.493 -1.558 3.613
188 HD3 LYS 21 HD1 LYS 21 -11.427 -3.000 4.011
189 HE2 LYS 21 HE2 LYS 21 -8.754 -2.940 2.606
190 HE3 LYS 21 HE1 LYS 21 -9.038 -3.410 4.282
191 HZ1 LYS 21 HZ1 LYS 21 -10.091 -4.805 1.883
192 HZ2 LYS 21 HZ2 LYS 21 -10.404 -5.246 3.483
193 HZ3 LYS 21 HZ3 LYS 21 -8.830 -5.343 2.873
194 H GLU 22 HN GLU 22 -10.887 0.795 0.096
195 HA GLU 22 HA GLU 22 -13.795 1.237 0.166
196 HB2 GLU 22 HB2 GLU 22 -11.726 2.330 2.072
197 HB3 GLU 22 HB1 GLU 22 -13.426 2.776 2.065
198 HG2 GLU 22 HG2 GLU 22 -14.060 0.513 2.619
199 HG3 GLU 22 HG1 GLU 22 -12.377 -0.002 2.531
200 H LEU 23 HN LEU 23 -13.115 1.921 -2.137
201 HA LEU 23 HA LEU 23 -12.994 4.842 -1.983
202 HB2 LEU 23 HB2 LEU 23 -10.777 3.861 -2.761
203 HB3 LEU 23 HB1 LEU 23 -11.628 3.303 -4.188
204 HG LEU 23 HG LEU 23 -12.203 5.662 -4.723
205 HD11 LEU 23 HD11 LEU 23 -10.371 6.265 -2.406
206 HD12 LEU 23 HD12 LEU 23 -12.097 6.616 -2.500
207 HD13 LEU 23 HD13 LEU 23 -10.970 7.447 -3.570
208 HD21 LEU 23 HD21 LEU 23 -9.264 5.067 -4.406
209 HD22 LEU 23 HD22 LEU 23 -9.959 6.294 -5.465
210 HD23 LEU 23 HD23 LEU 23 -10.284 4.587 -5.762
211 H GLN 24 HN GLN 24 -15.269 3.444 -1.991
212 HA GLN 24 HA GLN 24 -16.263 3.663 -4.754
213 HB2 GLN 24 HB2 GLN 24 -17.212 1.848 -2.532
214 HB3 GLN 24 HB1 GLN 24 -18.007 2.014 -4.088
215 HG2 GLN 24 HG2 GLN 24 -15.187 1.035 -3.695
216 HG3 GLN 24 HG1 GLN 24 -16.597 -0.001 -3.909
217 HE21 GLN 24 HE21 GLN 24 -14.383 2.180 -5.444
218 HE22 GLN 24 HE22 GLN 24 -14.853 1.834 -7.070
219 H ASP 25 HN ASP 25 -18.317 4.610 -5.040
220 HA ASP 25 HA ASP 25 -19.214 6.237 -2.758
221 HB2 ASP 25 HB2 ASP 25 -19.581 6.740 -5.725
222 HB3 ASP 25 HB1 ASP 25 -20.228 7.752 -4.439
Start of MODEL 5
1 H1 PHE 1 HT1 PHE 1 16.797 12.233 -1.135
2 H2 PHE 1 HT2 PHE 1 15.796 11.987 -2.471
3 H3 PHE 1 HT3 PHE 1 17.371 12.549 -2.694
4 HA PHE 1 HA PHE 1 17.218 10.225 -3.269
5 HB2 PHE 1 HB2 PHE 1 19.254 11.263 -2.068
6 HB3 PHE 1 HB1 PHE 1 18.669 10.439 -0.629
7 HD1 PHE 1 HD1 PHE 1 18.445 7.917 -0.701
8 HD2 PHE 1 HD2 PHE 1 20.534 10.144 -3.661
9 HE1 PHE 1 HE1 PHE 1 19.635 5.879 -1.388
10 HE2 PHE 1 HE2 PHE 1 21.726 8.110 -4.356
11 HZ PHE 1 HZ PHE 1 21.278 5.972 -3.221
12 H GLU 2 HN GLU 2 15.772 8.633 -3.075
13 HA GLU 2 HA GLU 2 14.677 8.106 -0.402
14 HB2 GLU 2 HB2 GLU 2 12.712 7.128 -1.536
15 HB3 GLU 2 HB1 GLU 2 12.948 8.813 -1.964
16 HG2 GLU 2 HG2 GLU 2 13.791 6.491 -3.680
17 HG3 GLU 2 HG1 GLU 2 12.271 7.362 -3.849
18 H THR 3 HN THR 3 15.167 6.258 0.548
19 HA THR 3 HA THR 3 16.732 4.295 -0.867
20 HB THR 3 HB THR 3 16.600 3.131 1.438
21 HG1 THR 3 HG1 THR 3 14.963 4.207 2.439
22 HG21 THR 3 HG21 THR 3 17.914 5.837 1.194
23 HG22 THR 3 HG22 THR 3 18.577 4.314 0.602
24 HG23 THR 3 HG23 THR 3 18.357 4.567 2.333
25 H LEU 4 HN LEU 4 16.141 2.209 -1.348
26 HA LEU 4 HA LEU 4 13.347 1.454 -0.882
27 HB2 LEU 4 HB2 LEU 4 13.514 2.454 -3.110
28 HB3 LEU 4 HB1 LEU 4 14.808 1.347 -3.519
29 HG LEU 4 HG LEU 4 13.203 -0.541 -3.273
30 HD11 LEU 4 HD11 LEU 4 11.616 0.526 -1.771
31 HD12 LEU 4 HD12 LEU 4 10.812 -0.046 -3.232
32 HD13 LEU 4 HD13 LEU 4 11.171 1.670 -3.035
33 HD21 LEU 4 HD21 LEU 4 13.708 0.370 -5.463
34 HD22 LEU 4 HD22 LEU 4 12.460 1.598 -5.262
35 HD23 LEU 4 HD23 LEU 4 12.012 -0.104 -5.372
36 H ARG 5 HN ARG 5 13.708 -0.215 0.469
37 HA ARG 5 HA ARG 5 15.796 -2.154 -0.007
38 HB2 ARG 5 HB2 ARG 5 13.501 -2.436 1.921
39 HB3 ARG 5 HB1 ARG 5 15.060 -3.235 1.981
40 HG2 ARG 5 HG2 ARG 5 16.144 -1.136 2.511
41 HG3 ARG 5 HG1 ARG 5 14.598 -0.291 2.382
42 HD2 ARG 5 HD2 ARG 5 13.729 -1.814 4.175
43 HD3 ARG 5 HD1 ARG 5 15.376 -2.401 4.384
44 HE ARG 5 HE ARG 5 15.990 -0.119 5.032
45 HH11 ARG 5 HH11 ARG 5 12.578 -0.943 5.053
46 HH12 ARG 5 HH12 ARG 5 12.174 0.244 6.250
47 HH21 ARG 5 HH21 ARG 5 15.452 1.439 6.608
48 HH22 ARG 5 HH22 ARG 5 13.805 1.596 7.134
49 H GLY 6 HN GLY 6 12.368 -1.854 -0.578
50 HA2 GLY 6 HA2 GLY 6 11.570 -3.344 -2.459
51 HA3 GLY 6 HA1 GLY 6 12.267 -4.652 -1.512
52 H ASP 7 HN ASP 7 11.498 -3.616 1.024
53 HA ASP 7 HA ASP 7 8.967 -4.787 1.279
54 HB2 ASP 7 HB2 ASP 7 9.022 -3.702 3.605
55 HB3 ASP 7 HB1 ASP 7 10.275 -4.871 3.211
56 H GLU 8 HN GLU 8 9.913 -1.515 0.667
57 HA GLU 8 HA GLU 8 7.581 -0.163 1.389
58 HB2 GLU 8 HB2 GLU 8 9.680 0.951 0.734
59 HB3 GLU 8 HB1 GLU 8 9.427 0.439 -0.927
60 HG2 GLU 8 HG2 GLU 8 7.300 1.735 -0.916
61 HG3 GLU 8 HG1 GLU 8 7.753 2.354 0.672
62 H ARG 9 HN ARG 9 8.328 -2.136 -1.398
63 HA ARG 9 HA ARG 9 6.136 -1.356 -3.008
64 HB2 ARG 9 HB2 ARG 9 7.879 -3.804 -2.947
65 HB3 ARG 9 HB1 ARG 9 6.514 -3.686 -4.048
66 HG2 ARG 9 HG2 ARG 9 8.775 -1.702 -3.934
67 HG3 ARG 9 HG1 ARG 9 8.683 -3.057 -5.062
68 HD2 ARG 9 HD2 ARG 9 6.713 -0.781 -4.836
69 HD3 ARG 9 HD1 ARG 9 7.902 -1.004 -6.117
70 HE ARG 9 HE ARG 9 6.550 -3.266 -6.340
71 HH11 ARG 9 HH11 ARG 9 5.345 -0.011 -5.876
72 HH12 ARG 9 HH12 ARG 9 3.865 -0.301 -6.728
73 HH21 ARG 9 HH21 ARG 9 4.615 -3.657 -7.460
74 HH22 ARG 9 HH22 ARG 9 3.446 -2.388 -7.634
75 H ILE 10 HN ILE 10 6.538 -3.781 -0.510
76 HA ILE 10 HA ILE 10 3.987 -4.984 -0.809
77 HB ILE 10 HB ILE 10 5.733 -4.791 1.659
78 HG12 ILE 10 HG12 ILE 10 5.420 -7.070 -0.308
79 HG13 ILE 10 HG11 ILE 10 6.773 -5.947 -0.304
80 HG21 ILE 10 HG21 ILE 10 3.402 -6.619 1.085
81 HG22 ILE 10 HG22 ILE 10 3.418 -5.284 2.237
82 HG23 ILE 10 HG23 ILE 10 4.446 -6.692 2.505
83 HD11 ILE 10 HD11 ILE 10 7.384 -6.708 1.939
84 HD12 ILE 10 HD12 ILE 10 7.366 -8.030 0.773
85 HD13 ILE 10 HD13 ILE 10 6.034 -7.841 1.914
86 H LEU 11 HN LEU 11 5.211 -2.220 0.944
87 HA LEU 11 HA LEU 11 2.861 -1.659 2.435
88 HB2 LEU 11 HB2 LEU 11 5.245 -0.855 2.864
89 HB3 LEU 11 HB1 LEU 11 4.982 0.317 1.593
90 HG LEU 11 HG LEU 11 3.224 0.193 4.040
91 HD11 LEU 11 HD11 LEU 11 5.736 1.803 3.610
92 HD12 LEU 11 HD12 LEU 11 5.511 0.510 4.787
93 HD13 LEU 11 HD13 LEU 11 4.601 2.013 4.945
94 HD21 LEU 11 HD21 LEU 11 3.812 2.386 2.050
95 HD22 LEU 11 HD22 LEU 11 2.751 2.520 3.453
96 HD23 LEU 11 HD23 LEU 11 2.331 1.432 2.132
97 H SER 12 HN SER 12 4.144 -0.426 -0.657
98 HA SER 12 HA SER 12 2.040 1.440 -1.027
99 HB2 SER 12 HB2 SER 12 2.902 1.545 -3.383
100 HB3 SER 12 HB1 SER 12 4.115 1.841 -2.139
101 HG SER 12 HG SER 12 5.012 0.419 -3.560
102 H ILE 13 HN ILE 13 2.509 -1.906 -1.987
103 HA ILE 13 HA ILE 13 0.178 -2.059 -3.596
104 HB ILE 13 HB ILE 13 1.706 -4.219 -2.142
105 HG12 ILE 13 HG12 ILE 13 1.526 -3.487 -5.075
106 HG13 ILE 13 HG11 ILE 13 2.875 -3.098 -4.014
107 HG21 ILE 13 HG21 ILE 13 -0.560 -4.542 -4.109
108 HG22 ILE 13 HG22 ILE 13 -0.620 -4.916 -2.388
109 HG23 ILE 13 HG23 ILE 13 0.431 -5.845 -3.456
110 HD11 ILE 13 HD11 ILE 13 3.398 -5.002 -5.405
111 HD12 ILE 13 HD12 ILE 13 1.978 -5.859 -4.805
112 HD13 ILE 13 HD13 ILE 13 3.310 -5.486 -3.711
113 H LEU 14 HN LEU 14 0.809 -2.568 -0.161
114 HA LEU 14 HA LEU 14 -1.808 -3.279 0.585
115 HB2 LEU 14 HB2 LEU 14 0.108 -3.499 2.097
116 HB3 LEU 14 HB1 LEU 14 0.279 -1.756 2.147
117 HG LEU 14 HG LEU 14 -1.981 -1.615 3.193
118 HD11 LEU 14 HD11 LEU 14 -2.937 -3.654 4.155
119 HD12 LEU 14 HD12 LEU 14 -1.712 -4.614 3.325
120 HD13 LEU 14 HD13 LEU 14 -2.903 -3.707 2.394
121 HD21 LEU 14 HD21 LEU 14 0.049 -3.298 4.658
122 HD22 LEU 14 HD22 LEU 14 -1.254 -2.372 5.399
123 HD23 LEU 14 HD23 LEU 14 0.046 -1.538 4.549
124 H ARG 15 HN ARG 15 -0.223 -0.157 0.146
125 HA ARG 15 HA ARG 15 -2.371 1.465 0.940
126 HB2 ARG 15 HB2 ARG 15 -0.061 2.293 0.582
127 HB3 ARG 15 HB1 ARG 15 -0.269 2.067 -1.150
128 HG2 ARG 15 HG2 ARG 15 -2.070 3.704 -1.159
129 HG3 ARG 15 HG1 ARG 15 -1.885 3.923 0.582
130 HD2 ARG 15 HD2 ARG 15 0.475 4.630 0.157
131 HD3 ARG 15 HD1 ARG 15 0.116 4.582 -1.569
132 HE ARG 15 HE ARG 15 -1.718 6.206 -0.056
133 HH11 ARG 15 HH11 ARG 15 1.363 6.159 -1.720
134 HH12 ARG 15 HH12 ARG 15 1.382 7.870 -2.000
135 HH21 ARG 15 HH21 ARG 15 -1.690 8.463 -0.417
136 HH22 ARG 15 HH22 ARG 15 -0.349 9.178 -1.254
137 H HIS 16 HN HIS 16 -1.642 -0.181 -2.057
138 HA HIS 16 HA HIS 16 -3.691 1.009 -3.615
139 HB2 HIS 16 HB2 HIS 16 -2.281 -1.645 -3.855
140 HB3 HIS 16 HB1 HIS 16 -3.516 -1.124 -4.990
141 HD1 HIS 16 HD1 HIS 16 -1.053 -1.598 -6.379
142 HD2 HIS 16 HD2 HIS 16 -1.646 1.992 -4.366
143 HE1 HIS 16 HE1 HIS 16 0.533 0.039 -7.435
144 HE2 HIS 16 HE2 HIS 16 -0.002 2.245 -6.348
145 H GLN 17 HN GLN 17 -3.638 -1.617 -1.306
146 HA GLN 17 HA GLN 17 -6.231 -2.611 -1.934
147 HB2 GLN 17 HB2 GLN 17 -4.675 -2.838 0.649
148 HB3 GLN 17 HB1 GLN 17 -6.126 -3.745 0.256
149 HG2 GLN 17 HG2 GLN 17 -3.383 -4.003 -0.930
150 HG3 GLN 17 HG1 GLN 17 -4.357 -5.225 -0.121
151 HE21 GLN 17 HE21 GLN 17 -3.642 -3.651 -3.086
152 HE22 GLN 17 HE22 GLN 17 -4.678 -4.603 -4.092
153 H ASN 18 HN ASN 18 -4.997 -0.037 0.056
154 HA ASN 18 HA ASN 18 -7.370 0.571 1.460
155 HB2 ASN 18 HB2 ASN 18 -5.294 1.555 2.192
156 HB3 ASN 18 HB1 ASN 18 -5.043 2.313 0.625
157 HD21 ASN 18 HD21 ASN 18 -4.952 4.402 1.336
158 HD22 ASN 18 HD22 ASN 18 -6.296 5.225 2.038
159 H LEU 19 HN LEU 19 -6.075 1.689 -1.623
160 HA LEU 19 HA LEU 19 -8.262 3.441 -2.177
161 HB2 LEU 19 HB2 LEU 19 -6.200 2.291 -4.059
162 HB3 LEU 19 HB1 LEU 19 -7.238 3.667 -4.382
163 HG LEU 19 HG LEU 19 -5.107 3.573 -2.241
164 HD11 LEU 19 HD11 LEU 19 -4.148 3.572 -4.487
165 HD12 LEU 19 HD12 LEU 19 -3.873 5.109 -3.669
166 HD13 LEU 19 HD13 LEU 19 -5.122 4.980 -4.905
167 HD21 LEU 19 HD21 LEU 19 -6.942 5.048 -1.647
168 HD22 LEU 19 HD22 LEU 19 -6.843 5.834 -3.221
169 HD23 LEU 19 HD23 LEU 19 -5.512 5.986 -2.076
170 H LEU 20 HN LEU 20 -7.456 0.128 -2.912
171 HA LEU 20 HA LEU 20 -9.564 -0.324 -4.768
172 HB2 LEU 20 HB2 LEU 20 -7.504 -1.699 -4.614
173 HB3 LEU 20 HB1 LEU 20 -8.048 -2.298 -3.061
174 HG LEU 20 HG LEU 20 -9.994 -3.344 -4.159
175 HD11 LEU 20 HD11 LEU 20 -8.678 -2.384 -6.694
176 HD12 LEU 20 HD12 LEU 20 -10.240 -1.866 -6.059
177 HD13 LEU 20 HD13 LEU 20 -10.018 -3.526 -6.611
178 HD21 LEU 20 HD21 LEU 20 -7.936 -4.615 -3.780
179 HD22 LEU 20 HD22 LEU 20 -7.338 -4.112 -5.362
180 HD23 LEU 20 HD23 LEU 20 -8.765 -5.142 -5.244
181 H LYS 21 HN LYS 21 -9.465 0.049 -1.399
182 HA LYS 21 HA LYS 21 -11.931 -1.445 -0.969
183 HB2 LYS 21 HB2 LYS 21 -9.991 -1.515 0.669
184 HB3 LYS 21 HB1 LYS 21 -10.374 0.151 1.064
185 HG2 LYS 21 HG2 LYS 21 -12.520 -0.461 1.906
186 HG3 LYS 21 HG1 LYS 21 -12.334 -2.114 1.325
187 HD2 LYS 21 HD2 LYS 21 -10.390 -0.947 3.285
188 HD3 LYS 21 HD1 LYS 21 -11.930 -1.605 3.832
189 HE2 LYS 21 HE2 LYS 21 -10.285 -3.328 4.031
190 HE3 LYS 21 HE1 LYS 21 -11.342 -3.745 2.687
191 HZ1 LYS 21 HZ1 LYS 21 -8.961 -4.107 2.233
192 HZ2 LYS 21 HZ2 LYS 21 -8.691 -2.446 2.378
193 HZ3 LYS 21 HZ3 LYS 21 -9.682 -3.037 1.144
194 H GLU 22 HN GLU 22 -12.824 0.165 -2.578
195 HA GLU 22 HA GLU 22 -13.588 2.706 -1.361
196 HB2 GLU 22 HB2 GLU 22 -12.809 2.664 -3.719
197 HB3 GLU 22 HB1 GLU 22 -14.155 1.611 -4.128
198 HG2 GLU 22 HG2 GLU 22 -14.597 3.906 -4.781
199 HG3 GLU 22 HG1 GLU 22 -15.729 3.367 -3.542
200 H LEU 23 HN LEU 23 -15.747 3.251 -0.963
201 HA LEU 23 HA LEU 23 -17.909 2.953 -0.356
202 HB2 LEU 23 HB2 LEU 23 -18.193 2.168 -2.690
203 HB3 LEU 23 HB1 LEU 23 -17.847 0.534 -2.163
204 HG LEU 23 HG LEU 23 -19.869 0.573 -0.750
205 HD11 LEU 23 HD11 LEU 23 -20.016 2.943 -0.303
206 HD12 LEU 23 HD12 LEU 23 -21.504 2.381 -1.063
207 HD13 LEU 23 HD13 LEU 23 -20.313 3.272 -2.010
208 HD21 LEU 23 HD21 LEU 23 -21.495 0.484 -2.579
209 HD22 LEU 23 HD22 LEU 23 -19.991 -0.331 -3.003
210 HD23 LEU 23 HD23 LEU 23 -20.333 1.275 -3.644
211 H GLN 24 HN GLN 24 -17.429 2.590 1.740
212 HA GLN 24 HA GLN 24 -17.592 1.561 3.738
213 HB2 GLN 24 HB2 GLN 24 -18.421 -0.849 2.129
214 HB3 GLN 24 HB1 GLN 24 -18.373 -0.815 3.886
215 HG2 GLN 24 HG2 GLN 24 -19.967 1.125 3.776
216 HG3 GLN 24 HG1 GLN 24 -20.137 0.780 2.054
217 HE21 GLN 24 HE21 GLN 24 -21.138 -1.138 1.408
218 HE22 GLN 24 HE22 GLN 24 -22.138 -2.049 2.485
219 H ASP 25 HN ASP 25 -16.479 0.048 5.134
220 HA ASP 25 HA ASP 25 -13.833 -0.592 4.041
221 HB2 ASP 25 HB2 ASP 25 -13.950 0.974 5.983
222 HB3 ASP 25 HB1 ASP 25 -14.682 -0.312 6.937
Start of MODEL 6
1 H1 PHE 1 HT1 PHE 1 17.463 10.563 -3.508
2 H2 PHE 1 HT2 PHE 1 15.878 10.152 -3.923
3 H3 PHE 1 HT3 PHE 1 17.173 9.459 -4.757
4 HA PHE 1 HA PHE 1 17.885 8.290 -2.810
5 HB2 PHE 1 HB2 PHE 1 17.117 10.013 -1.196
6 HB3 PHE 1 HB1 PHE 1 15.454 9.539 -1.510
7 HD1 PHE 1 HD1 PHE 1 14.462 7.809 -0.308
8 HD2 PHE 1 HD2 PHE 1 18.688 8.280 -0.214
9 HE1 PHE 1 HE1 PHE 1 14.609 6.103 1.454
10 HE2 PHE 1 HE2 PHE 1 18.842 6.578 1.551
11 HZ PHE 1 HZ PHE 1 16.795 5.541 2.442
12 H GLU 2 HN GLU 2 17.449 6.260 -3.357
13 HA GLU 2 HA GLU 2 14.690 5.358 -3.411
14 HB2 GLU 2 HB2 GLU 2 15.097 4.110 -5.567
15 HB3 GLU 2 HB1 GLU 2 14.958 5.854 -5.731
16 HG2 GLU 2 HG2 GLU 2 17.347 6.068 -5.929
17 HG3 GLU 2 HG1 GLU 2 17.556 4.343 -5.637
18 H THR 3 HN THR 3 14.683 3.773 -1.981
19 HA THR 3 HA THR 3 16.956 1.905 -1.959
20 HB THR 3 HB THR 3 16.287 1.573 0.500
21 HG1 THR 3 HG1 THR 3 14.311 2.826 0.271
22 HG21 THR 3 HG21 THR 3 18.358 2.672 -0.203
23 HG22 THR 3 HG22 THR 3 17.676 3.445 1.227
24 HG23 THR 3 HG23 THR 3 17.497 4.203 -0.355
25 H LEU 4 HN LEU 4 16.264 0.092 -2.915
26 HA LEU 4 HA LEU 4 13.529 -0.807 -2.546
27 HB2 LEU 4 HB2 LEU 4 14.500 -0.922 -4.781
28 HB3 LEU 4 HB1 LEU 4 15.786 -1.955 -4.186
29 HG LEU 4 HG LEU 4 14.174 -3.728 -3.713
30 HD11 LEU 4 HD11 LEU 4 12.225 -2.436 -3.160
31 HD12 LEU 4 HD12 LEU 4 11.843 -3.497 -4.517
32 HD13 LEU 4 HD13 LEU 4 12.146 -1.782 -4.794
33 HD21 LEU 4 HD21 LEU 4 13.569 -4.273 -6.020
34 HD22 LEU 4 HD22 LEU 4 15.217 -3.655 -5.912
35 HD23 LEU 4 HD23 LEU 4 13.923 -2.614 -6.504
36 H ARG 5 HN ARG 5 13.533 -1.328 -0.391
37 HA ARG 5 HA ARG 5 15.314 -3.460 0.525
38 HB2 ARG 5 HB2 ARG 5 13.264 -1.883 2.087
39 HB3 ARG 5 HB1 ARG 5 14.476 -2.965 2.753
40 HG2 ARG 5 HG2 ARG 5 16.245 -1.497 2.073
41 HG3 ARG 5 HG1 ARG 5 15.106 -0.458 1.216
42 HD2 ARG 5 HD2 ARG 5 14.008 0.077 3.337
43 HD3 ARG 5 HD1 ARG 5 15.148 -0.962 4.191
44 HE ARG 5 HE ARG 5 16.891 0.632 3.198
45 HH11 ARG 5 HH11 ARG 5 13.656 1.608 4.141
46 HH12 ARG 5 HH12 ARG 5 14.128 3.236 4.509
47 HH21 ARG 5 HH21 ARG 5 17.494 2.777 3.670
48 HH22 ARG 5 HH22 ARG 5 16.298 3.900 4.236
49 H GLY 6 HN GLY 6 12.248 -3.007 -0.771
50 HA2 GLY 6 HA2 GLY 6 11.009 -4.941 -1.504
51 HA3 GLY 6 HA1 GLY 6 11.515 -5.763 -0.039
52 H ASP 7 HN ASP 7 10.953 -3.609 1.752
53 HA ASP 7 HA ASP 7 8.284 -4.353 2.294
54 HB2 ASP 7 HB2 ASP 7 8.426 -2.885 4.236
55 HB3 ASP 7 HB1 ASP 7 9.861 -3.891 4.096
56 H GLU 8 HN GLU 8 9.672 -1.457 0.832
57 HA GLU 8 HA GLU 8 7.363 0.140 1.076
58 HB2 GLU 8 HB2 GLU 8 9.490 1.166 0.538
59 HB3 GLU 8 HB1 GLU 8 9.570 0.277 -0.974
60 HG2 GLU 8 HG2 GLU 8 7.723 1.484 -1.868
61 HG3 GLU 8 HG1 GLU 8 7.412 2.255 -0.317
62 H ARG 9 HN ARG 9 8.331 -2.282 -1.253
63 HA ARG 9 HA ARG 9 6.326 -1.751 -3.175
64 HB2 ARG 9 HB2 ARG 9 7.934 -4.203 -2.510
65 HB3 ARG 9 HB1 ARG 9 6.688 -4.236 -3.748
66 HG2 ARG 9 HG2 ARG 9 8.975 -2.285 -3.772
67 HG3 ARG 9 HG1 ARG 9 9.027 -3.857 -4.571
68 HD2 ARG 9 HD2 ARG 9 7.001 -1.687 -5.114
69 HD3 ARG 9 HD1 ARG 9 8.408 -2.040 -6.115
70 HE ARG 9 HE ARG 9 6.812 -4.362 -5.760
71 HH11 ARG 9 HH11 ARG 9 6.935 -1.333 -7.508
72 HH12 ARG 9 HH12 ARG 9 5.999 -1.922 -8.844
73 HH21 ARG 9 HH21 ARG 9 5.570 -5.138 -7.508
74 HH22 ARG 9 HH22 ARG 9 5.229 -4.091 -8.848
75 H ILE 10 HN ILE 10 6.438 -3.875 -0.357
76 HA ILE 10 HA ILE 10 3.791 -4.860 -0.655
77 HB ILE 10 HB ILE 10 5.498 -4.643 1.834
78 HG12 ILE 10 HG12 ILE 10 4.957 -6.982 -0.013
79 HG13 ILE 10 HG11 ILE 10 6.463 -6.078 0.077
80 HG21 ILE 10 HG21 ILE 10 3.976 -6.315 2.801
81 HG22 ILE 10 HG22 ILE 10 2.948 -6.186 1.373
82 HG23 ILE 10 HG23 ILE 10 3.156 -4.797 2.438
83 HD11 ILE 10 HD11 ILE 10 6.614 -8.196 1.257
84 HD12 ILE 10 HD12 ILE 10 5.267 -7.722 2.294
85 HD13 ILE 10 HD13 ILE 10 6.791 -6.836 2.365
86 H LEU 11 HN LEU 11 5.221 -2.168 1.124
87 HA LEU 11 HA LEU 11 2.965 -1.285 2.503
88 HB2 LEU 11 HB2 LEU 11 5.337 -0.536 2.833
89 HB3 LEU 11 HB1 LEU 11 5.188 0.421 1.377
90 HG LEU 11 HG LEU 11 3.322 0.882 3.682
91 HD11 LEU 11 HD11 LEU 11 6.081 2.046 3.334
92 HD12 LEU 11 HD12 LEU 11 5.555 0.969 4.628
93 HD13 LEU 11 HD13 LEU 11 4.877 2.592 4.502
94 HD21 LEU 11 HD21 LEU 11 4.411 2.662 1.501
95 HD22 LEU 11 HD22 LEU 11 3.286 3.156 2.766
96 HD23 LEU 11 HD23 LEU 11 2.791 1.966 1.562
97 H SER 12 HN SER 12 4.148 -0.379 -0.726
98 HA SER 12 HA SER 12 2.086 1.527 -1.164
99 HB2 SER 12 HB2 SER 12 2.920 1.416 -3.555
100 HB3 SER 12 HB1 SER 12 4.118 1.856 -2.340
101 HG SER 12 HG SER 12 5.062 -0.082 -2.524
102 H ILE 13 HN ILE 13 2.519 -1.860 -2.091
103 HA ILE 13 HA ILE 13 0.179 -1.966 -3.695
104 HB ILE 13 HB ILE 13 1.773 -4.146 -2.355
105 HG12 ILE 13 HG12 ILE 13 1.515 -3.249 -5.237
106 HG13 ILE 13 HG11 ILE 13 2.887 -2.933 -4.183
107 HG21 ILE 13 HG21 ILE 13 -0.536 -4.432 -4.278
108 HG22 ILE 13 HG22 ILE 13 -0.533 -4.900 -2.578
109 HG23 ILE 13 HG23 ILE 13 0.510 -5.740 -3.724
110 HD11 ILE 13 HD11 ILE 13 3.333 -5.330 -4.055
111 HD12 ILE 13 HD12 ILE 13 3.368 -4.739 -5.716
112 HD13 ILE 13 HD13 ILE 13 1.966 -5.633 -5.128
113 H LEU 14 HN LEU 14 0.819 -2.723 -0.285
114 HA LEU 14 HA LEU 14 -1.825 -3.460 0.361
115 HB2 LEU 14 HB2 LEU 14 0.104 -3.849 1.850
116 HB3 LEU 14 HB1 LEU 14 0.247 -2.120 2.108
117 HG LEU 14 HG LEU 14 -1.998 -2.119 3.158
118 HD11 LEU 14 HD11 LEU 14 -2.956 -4.050 2.059
119 HD12 LEU 14 HD12 LEU 14 -2.994 -4.267 3.808
120 HD13 LEU 14 HD13 LEU 14 -1.783 -5.107 2.842
121 HD21 LEU 14 HD21 LEU 14 -0.007 -4.029 4.374
122 HD22 LEU 14 HD22 LEU 14 -1.313 -3.215 5.235
123 HD23 LEU 14 HD23 LEU 14 0.001 -2.273 4.535
124 H ARG 15 HN ARG 15 -0.177 -0.352 0.165
125 HA ARG 15 HA ARG 15 -2.236 1.285 1.102
126 HB2 ARG 15 HB2 ARG 15 0.043 2.098 0.686
127 HB3 ARG 15 HB1 ARG 15 -0.189 1.873 -1.041
128 HG2 ARG 15 HG2 ARG 15 -1.928 3.574 -1.046
129 HG3 ARG 15 HG1 ARG 15 -1.737 3.784 0.696
130 HD2 ARG 15 HD2 ARG 15 0.608 4.448 0.329
131 HD3 ARG 15 HD1 ARG 15 0.358 4.302 -1.409
132 HE ARG 15 HE ARG 15 -1.583 6.053 -0.465
133 HH11 ARG 15 HH11 ARG 15 1.905 5.896 -0.672
134 HH12 ARG 15 HH12 ARG 15 2.109 7.617 -0.736
135 HH21 ARG 15 HH21 ARG 15 -1.331 8.318 -0.566
136 HH22 ARG 15 HH22 ARG 15 0.262 9.001 -0.675
137 H HIS 16 HN HIS 16 -1.676 -0.177 -2.035
138 HA HIS 16 HA HIS 16 -3.736 1.182 -3.429
139 HB2 HIS 16 HB2 HIS 16 -2.487 -1.524 -3.953
140 HB3 HIS 16 HB1 HIS 16 -3.607 -0.725 -5.047
141 HD1 HIS 16 HD1 HIS 16 -0.999 -1.360 -6.247
142 HD2 HIS 16 HD2 HIS 16 -1.608 2.144 -4.090
143 HE1 HIS 16 HE1 HIS 16 0.789 0.230 -7.020
144 HE2 HIS 16 HE2 HIS 16 0.306 2.390 -5.818
145 H GLN 17 HN GLN 17 -3.670 -1.680 -1.420
146 HA GLN 17 HA GLN 17 -6.358 -2.467 -2.017
147 HB2 GLN 17 HB2 GLN 17 -4.443 -3.248 0.181
148 HB3 GLN 17 HB1 GLN 17 -6.070 -3.901 0.060
149 HG2 GLN 17 HG2 GLN 17 -3.907 -4.160 -2.023
150 HG3 GLN 17 HG1 GLN 17 -4.436 -5.419 -0.907
151 HE21 GLN 17 HE21 GLN 17 -4.443 -5.328 -3.840
152 HE22 GLN 17 HE22 GLN 17 -6.083 -5.613 -4.315
153 H ASN 18 HN ASN 18 -4.788 -0.493 0.429
154 HA ASN 18 HA ASN 18 -7.063 -0.049 2.043
155 HB2 ASN 18 HB2 ASN 18 -4.789 0.517 2.803
156 HB3 ASN 18 HB1 ASN 18 -4.685 1.765 1.566
157 HD21 ASN 18 HD21 ASN 18 -4.441 3.486 2.947
158 HD22 ASN 18 HD22 ASN 18 -5.684 4.014 4.022
159 H LEU 19 HN LEU 19 -5.845 1.512 -0.852
160 HA LEU 19 HA LEU 19 -7.905 3.532 -0.841
161 HB2 LEU 19 HB2 LEU 19 -5.957 2.733 -3.003
162 HB3 LEU 19 HB1 LEU 19 -6.972 4.161 -3.024
163 HG LEU 19 HG LEU 19 -4.733 3.606 -1.077
164 HD11 LEU 19 HD11 LEU 19 -3.648 5.507 -2.177
165 HD12 LEU 19 HD12 LEU 19 -4.976 5.587 -3.335
166 HD13 LEU 19 HD13 LEU 19 -3.925 4.170 -3.293
167 HD21 LEU 19 HD21 LEU 19 -6.513 4.838 0.010
168 HD22 LEU 19 HD22 LEU 19 -6.571 5.984 -1.329
169 HD23 LEU 19 HD23 LEU 19 -5.142 5.902 -0.298
170 H LEU 20 HN LEU 20 -7.959 0.336 -1.409
171 HA LEU 20 HA LEU 20 -10.149 0.553 -3.361
172 HB2 LEU 20 HB2 LEU 20 -8.038 -0.680 -4.093
173 HB3 LEU 20 HB1 LEU 20 -8.440 -1.888 -2.891
174 HG LEU 20 HG LEU 20 -10.609 -2.257 -4.074
175 HD11 LEU 20 HD11 LEU 20 -9.357 -0.472 -6.155
176 HD12 LEU 20 HD12 LEU 20 -10.805 -0.124 -5.209
177 HD13 LEU 20 HD13 LEU 20 -10.813 -1.443 -6.379
178 HD21 LEU 20 HD21 LEU 20 -9.636 -3.548 -5.892
179 HD22 LEU 20 HD22 LEU 20 -8.686 -3.720 -4.416
180 HD23 LEU 20 HD23 LEU 20 -8.116 -2.672 -5.716
181 H LYS 21 HN LYS 21 -10.206 0.837 -0.461
182 HA LYS 21 HA LYS 21 -11.331 -1.593 0.596
183 HB2 LYS 21 HB2 LYS 21 -11.716 -0.267 2.637
184 HB3 LYS 21 HB1 LYS 21 -10.062 -0.138 2.069
185 HG2 LYS 21 HG2 LYS 21 -10.587 2.049 1.079
186 HG3 LYS 21 HG1 LYS 21 -12.231 1.920 1.707
187 HD2 LYS 21 HD2 LYS 21 -11.350 1.812 3.988
188 HD3 LYS 21 HD1 LYS 21 -9.705 1.937 3.362
189 HE2 LYS 21 HE2 LYS 21 -10.450 4.099 4.159
190 HE3 LYS 21 HE1 LYS 21 -10.258 4.139 2.408
191 HZ1 LYS 21 HZ1 LYS 21 -12.288 5.234 3.094
192 HZ2 LYS 21 HZ2 LYS 21 -12.830 3.829 3.857
193 HZ3 LYS 21 HZ3 LYS 21 -12.647 3.861 2.177
194 H GLU 22 HN GLU 22 -12.762 -1.184 -1.541
195 HA GLU 22 HA GLU 22 -14.981 0.518 -1.410
196 HB2 GLU 22 HB2 GLU 22 -14.237 -0.607 -3.463
197 HB3 GLU 22 HB1 GLU 22 -14.701 -2.159 -2.783
198 HG2 GLU 22 HG2 GLU 22 -17.043 -1.308 -2.652
199 HG3 GLU 22 HG1 GLU 22 -16.509 0.113 -3.550
200 H LEU 23 HN LEU 23 -16.459 0.522 0.164
201 HA LEU 23 HA LEU 23 -17.320 -2.064 1.268
202 HB2 LEU 23 HB2 LEU 23 -16.279 -0.508 2.886
203 HB3 LEU 23 HB1 LEU 23 -17.510 0.680 2.511
204 HG LEU 23 HG LEU 23 -19.237 -0.858 3.380
205 HD11 LEU 23 HD11 LEU 23 -18.106 -2.970 2.976
206 HD12 LEU 23 HD12 LEU 23 -18.549 -2.817 4.674
207 HD13 LEU 23 HD13 LEU 23 -16.877 -2.560 4.173
208 HD21 LEU 23 HD21 LEU 23 -18.287 0.850 4.825
209 HD22 LEU 23 HD22 LEU 23 -16.985 -0.244 5.288
210 HD23 LEU 23 HD23 LEU 23 -18.649 -0.610 5.746
211 H GLN 24 HN GLN 24 -18.962 -2.596 -0.084
212 HA GLN 24 HA GLN 24 -20.967 -0.675 -0.867
213 HB2 GLN 24 HB2 GLN 24 -20.802 -3.671 -1.247
214 HB3 GLN 24 HB1 GLN 24 -22.067 -2.655 -1.920
215 HG2 GLN 24 HG2 GLN 24 -20.346 -1.416 -3.191
216 HG3 GLN 24 HG1 GLN 24 -19.130 -2.533 -2.572
217 HE21 GLN 24 HE21 GLN 24 -18.592 -3.264 -4.634
218 HE22 GLN 24 HE22 GLN 24 -19.653 -4.295 -5.540
219 H ASP 25 HN ASP 25 -21.288 -0.221 1.527
220 HA ASP 25 HA ASP 25 -22.900 -2.200 2.931
221 HB2 ASP 25 HB2 ASP 25 -21.154 -1.092 4.214
222 HB3 ASP 25 HB1 ASP 25 -21.817 0.487 3.808
Start of MODEL 7
1 H1 PHE 1 HT1 PHE 1 22.098 3.943 4.439
2 H2 PHE 1 HT2 PHE 1 21.529 3.191 5.839
3 H3 PHE 1 HT3 PHE 1 21.828 4.852 5.837
4 HA PHE 1 HA PHE 1 19.470 4.362 5.723
5 HB2 PHE 1 HB2 PHE 1 20.453 6.407 4.644
6 HB3 PHE 1 HB1 PHE 1 20.505 5.522 3.125
7 HD1 PHE 1 HD1 PHE 1 18.197 6.751 5.750
8 HD2 PHE 1 HD2 PHE 1 18.643 5.422 1.733
9 HE1 PHE 1 HE1 PHE 1 15.885 7.436 5.270
10 HE2 PHE 1 HE2 PHE 1 16.331 6.103 1.247
11 HZ PHE 1 HZ PHE 1 14.944 7.111 3.032
12 H GLU 2 HN GLU 2 20.907 3.611 2.532
13 HA GLU 2 HA GLU 2 20.532 1.968 1.028
14 HB2 GLU 2 HB2 GLU 2 20.937 0.367 2.796
15 HB3 GLU 2 HB1 GLU 2 19.298 0.555 3.399
16 HG2 GLU 2 HG2 GLU 2 19.559 -1.526 2.189
17 HG3 GLU 2 HG1 GLU 2 18.420 -0.461 1.372
18 H THR 3 HN THR 3 19.175 2.346 -0.572
19 HA THR 3 HA THR 3 16.478 3.212 -0.073
20 HB THR 3 HB THR 3 16.419 3.092 -2.672
21 HG1 THR 3 HG1 THR 3 18.404 1.808 -2.725
22 HG21 THR 3 HG21 THR 3 17.543 5.259 -2.826
23 HG22 THR 3 HG22 THR 3 18.270 4.999 -1.241
24 HG23 THR 3 HG23 THR 3 16.522 5.171 -1.393
25 H LEU 4 HN LEU 4 16.124 1.048 1.059
26 HA LEU 4 HA LEU 4 15.797 -1.272 -0.603
27 HB2 LEU 4 HB2 LEU 4 16.448 -1.426 1.774
28 HB3 LEU 4 HB1 LEU 4 14.884 -0.779 2.231
29 HG LEU 4 HG LEU 4 13.820 -2.778 1.165
30 HD11 LEU 4 HD11 LEU 4 16.667 -3.752 1.010
31 HD12 LEU 4 HD12 LEU 4 15.630 -3.362 -0.361
32 HD13 LEU 4 HD13 LEU 4 15.226 -4.715 0.692
33 HD21 LEU 4 HD21 LEU 4 14.169 -2.678 3.570
34 HD22 LEU 4 HD22 LEU 4 15.796 -3.325 3.372
35 HD23 LEU 4 HD23 LEU 4 14.397 -4.322 2.972
36 H ARG 5 HN ARG 5 14.199 -1.349 -2.025
37 HA ARG 5 HA ARG 5 11.645 -0.092 -1.338
38 HB2 ARG 5 HB2 ARG 5 12.648 -1.023 -4.026
39 HB3 ARG 5 HB1 ARG 5 11.130 -0.190 -3.731
40 HG2 ARG 5 HG2 ARG 5 12.505 1.715 -2.804
41 HG3 ARG 5 HG1 ARG 5 13.918 0.892 -3.469
42 HD2 ARG 5 HD2 ARG 5 13.171 2.534 -5.052
43 HD3 ARG 5 HD1 ARG 5 12.820 0.929 -5.695
44 HE ARG 5 HE ARG 5 10.633 2.147 -4.237
45 HH11 ARG 5 HH11 ARG 5 12.158 1.731 -7.373
46 HH12 ARG 5 HH12 ARG 5 10.719 2.122 -8.258
47 HH21 ARG 5 HH21 ARG 5 8.753 2.662 -5.402
48 HH22 ARG 5 HH22 ARG 5 8.780 2.657 -7.139
49 H GLY 6 HN GLY 6 13.010 -3.065 -1.191
50 HA2 GLY 6 HA2 GLY 6 11.109 -4.821 -2.250
51 HA3 GLY 6 HA1 GLY 6 12.139 -5.176 -0.871
52 H ASP 7 HN ASP 7 11.323 -3.612 1.093
53 HA ASP 7 HA ASP 7 8.777 -4.670 1.810
54 HB2 ASP 7 HB2 ASP 7 9.071 -3.477 3.905
55 HB3 ASP 7 HB1 ASP 7 10.581 -4.264 3.460
56 H GLU 8 HN GLU 8 9.921 -1.737 0.426
57 HA GLU 8 HA GLU 8 7.761 -0.036 1.006
58 HB2 GLU 8 HB2 GLU 8 9.963 0.717 0.164
59 HB3 GLU 8 HB1 GLU 8 9.598 -0.011 -1.392
60 HG2 GLU 8 HG2 GLU 8 7.645 1.513 -1.567
61 HG3 GLU 8 HG1 GLU 8 8.197 2.306 -0.093
62 H ARG 9 HN ARG 9 8.350 -2.375 -1.557
63 HA ARG 9 HA ARG 9 6.152 -1.770 -3.198
64 HB2 ARG 9 HB2 ARG 9 7.655 -4.337 -2.713
65 HB3 ARG 9 HB1 ARG 9 6.343 -4.224 -3.877
66 HG2 ARG 9 HG2 ARG 9 8.819 -2.515 -3.956
67 HG3 ARG 9 HG1 ARG 9 8.615 -4.017 -4.861
68 HD2 ARG 9 HD2 ARG 9 6.874 -1.563 -5.096
69 HD3 ARG 9 HD1 ARG 9 8.128 -2.046 -6.236
70 HE ARG 9 HE ARG 9 6.661 -4.185 -6.390
71 HH11 ARG 9 HH11 ARG 9 5.529 -0.889 -6.083
72 HH12 ARG 9 HH12 ARG 9 4.025 -1.198 -6.887
73 HH21 ARG 9 HH21 ARG 9 4.679 -4.584 -7.475
74 HH22 ARG 9 HH22 ARG 9 3.542 -3.290 -7.671
75 H ILE 10 HN ILE 10 6.468 -3.830 -0.372
76 HA ILE 10 HA ILE 10 3.853 -4.906 -0.427
77 HB ILE 10 HB ILE 10 5.671 -4.437 1.950
78 HG12 ILE 10 HG12 ILE 10 5.198 -6.944 0.321
79 HG13 ILE 10 HG11 ILE 10 6.619 -5.916 0.188
80 HG21 ILE 10 HG21 ILE 10 3.365 -4.709 2.664
81 HG22 ILE 10 HG22 ILE 10 4.308 -6.139 3.086
82 HG23 ILE 10 HG23 ILE 10 3.221 -6.179 1.698
83 HD11 ILE 10 HD11 ILE 10 7.183 -6.419 2.516
84 HD12 ILE 10 HD12 ILE 10 7.092 -7.873 1.523
85 HD13 ILE 10 HD13 ILE 10 5.771 -7.470 2.619
86 H LEU 11 HN LEU 11 5.270 -2.044 1.040
87 HA LEU 11 HA LEU 11 3.033 -1.182 2.500
88 HB2 LEU 11 HB2 LEU 11 5.431 -0.409 2.710
89 HB3 LEU 11 HB1 LEU 11 5.178 0.551 1.271
90 HG LEU 11 HG LEU 11 3.486 0.937 3.734
91 HD11 LEU 11 HD11 LEU 11 5.821 1.188 4.389
92 HD12 LEU 11 HD12 LEU 11 5.003 2.748 4.358
93 HD13 LEU 11 HD13 LEU 11 6.088 2.297 3.044
94 HD21 LEU 11 HD21 LEU 11 3.183 3.180 2.794
95 HD22 LEU 11 HD22 LEU 11 2.648 1.934 1.667
96 HD23 LEU 11 HD23 LEU 11 4.195 2.742 1.417
97 H SER 12 HN SER 12 4.133 -0.419 -0.796
98 HA SER 12 HA SER 12 2.076 1.504 -1.225
99 HB2 SER 12 HB2 SER 12 2.885 1.443 -3.592
100 HB3 SER 12 HB1 SER 12 4.147 1.759 -2.404
101 HG SER 12 HG SER 12 3.678 -0.535 -3.952
102 H ILE 13 HN ILE 13 2.493 -1.898 -2.137
103 HA ILE 13 HA ILE 13 0.141 -2.030 -3.714
104 HB ILE 13 HB ILE 13 1.632 -4.231 -2.276
105 HG12 ILE 13 HG12 ILE 13 1.551 -3.496 -5.209
106 HG13 ILE 13 HG11 ILE 13 2.840 -3.026 -4.106
107 HG21 ILE 13 HG21 ILE 13 0.382 -5.784 -3.724
108 HG22 ILE 13 HG22 ILE 13 -0.594 -4.433 -4.304
109 HG23 ILE 13 HG23 ILE 13 -0.671 -4.913 -2.608
110 HD11 ILE 13 HD11 ILE 13 2.081 -5.851 -4.809
111 HD12 ILE 13 HD12 ILE 13 3.397 -5.361 -3.742
112 HD13 ILE 13 HD13 ILE 13 3.455 -4.956 -5.457
113 H LEU 14 HN LEU 14 0.806 -2.763 -0.308
114 HA LEU 14 HA LEU 14 -1.814 -3.506 0.387
115 HB2 LEU 14 HB2 LEU 14 0.129 -3.902 1.836
116 HB3 LEU 14 HB1 LEU 14 0.294 -2.175 2.090
117 HG LEU 14 HG LEU 14 -1.966 -2.176 3.159
118 HD11 LEU 14 HD11 LEU 14 -2.906 -4.308 3.885
119 HD12 LEU 14 HD12 LEU 14 -1.660 -5.171 2.983
120 HD13 LEU 14 HD13 LEU 14 -2.853 -4.195 2.125
121 HD21 LEU 14 HD21 LEU 14 -1.200 -3.184 5.258
122 HD22 LEU 14 HD22 LEU 14 0.058 -2.207 4.502
123 HD23 LEU 14 HD23 LEU 14 0.124 -3.966 4.395
124 H ARG 15 HN ARG 15 -0.226 -0.368 0.144
125 HA ARG 15 HA ARG 15 -2.336 1.152 1.225
126 HB2 ARG 15 HB2 ARG 15 -0.084 2.087 0.904
127 HB3 ARG 15 HB1 ARG 15 -0.296 1.992 -0.840
128 HG2 ARG 15 HG2 ARG 15 -2.204 3.539 -0.667
129 HG3 ARG 15 HG1 ARG 15 -1.904 3.678 1.065
130 HD2 ARG 15 HD2 ARG 15 0.319 4.579 0.612
131 HD3 ARG 15 HD1 ARG 15 0.029 4.424 -1.119
132 HE ARG 15 HE ARG 15 -1.784 6.095 0.475
133 HH11 ARG 15 HH11 ARG 15 0.713 5.826 -1.973
134 HH12 ARG 15 HH12 ARG 15 0.495 7.447 -2.552
135 HH21 ARG 15 HH21 ARG 15 -2.057 8.232 -0.280
136 HH22 ARG 15 HH22 ARG 15 -1.067 8.819 -1.579
137 H HIS 16 HN HIS 16 -1.635 -0.006 -2.021
138 HA HIS 16 HA HIS 16 -3.752 1.343 -3.322
139 HB2 HIS 16 HB2 HIS 16 -2.286 -1.204 -4.011
140 HB3 HIS 16 HB1 HIS 16 -3.547 -0.532 -5.032
141 HD1 HIS 16 HD1 HIS 16 -1.177 -0.650 -6.582
142 HD2 HIS 16 HD2 HIS 16 -1.637 2.425 -3.821
143 HE1 HIS 16 HE1 HIS 16 0.384 1.170 -7.334
144 HE2 HIS 16 HE2 HIS 16 0.218 2.942 -5.551
145 H GLN 17 HN GLN 17 -3.567 -1.691 -1.577
146 HA GLN 17 HA GLN 17 -6.211 -2.521 -2.259
147 HB2 GLN 17 HB2 GLN 17 -4.412 -3.411 0.004
148 HB3 GLN 17 HB1 GLN 17 -5.918 -4.193 -0.455
149 HG2 GLN 17 HG2 GLN 17 -3.381 -4.012 -2.061
150 HG3 GLN 17 HG1 GLN 17 -4.154 -5.457 -1.408
151 HE21 GLN 17 HE21 GLN 17 -3.416 -4.666 -4.174
152 HE22 GLN 17 HE22 GLN 17 -4.873 -4.823 -5.093
153 H ASN 18 HN ASN 18 -4.805 -0.532 0.243
154 HA ASN 18 HA ASN 18 -7.131 -0.357 1.860
155 HB2 ASN 18 HB2 ASN 18 -4.997 0.343 2.781
156 HB3 ASN 18 HB1 ASN 18 -4.824 1.571 1.531
157 HD21 ASN 18 HD21 ASN 18 -4.656 3.257 3.004
158 HD22 ASN 18 HD22 ASN 18 -6.007 3.813 3.920
159 H LEU 19 HN LEU 19 -5.891 1.556 -0.838
160 HA LEU 19 HA LEU 19 -7.953 3.497 -0.779
161 HB2 LEU 19 HB2 LEU 19 -6.186 2.655 -3.076
162 HB3 LEU 19 HB1 LEU 19 -7.162 4.109 -3.028
163 HG LEU 19 HG LEU 19 -4.808 3.495 -1.237
164 HD11 LEU 19 HD11 LEU 19 -4.142 4.027 -3.511
165 HD12 LEU 19 HD12 LEU 19 -3.734 5.350 -2.420
166 HD13 LEU 19 HD13 LEU 19 -5.137 5.482 -3.479
167 HD21 LEU 19 HD21 LEU 19 -6.456 4.792 -0.028
168 HD22 LEU 19 HD22 LEU 19 -6.586 5.928 -1.370
169 HD23 LEU 19 HD23 LEU 19 -5.084 5.815 -0.454
170 H LEU 20 HN LEU 20 -7.628 0.375 -2.346
171 HA LEU 20 HA LEU 20 -10.133 0.748 -3.788
172 HB2 LEU 20 HB2 LEU 20 -7.955 -1.295 -3.860
173 HB3 LEU 20 HB1 LEU 20 -9.547 -1.735 -4.445
174 HG LEU 20 HG LEU 20 -8.122 -1.076 -6.288
175 HD11 LEU 20 HD11 LEU 20 -10.216 1.017 -5.728
176 HD12 LEU 20 HD12 LEU 20 -10.503 -0.569 -6.441
177 HD13 LEU 20 HD13 LEU 20 -9.533 0.621 -7.303
178 HD21 LEU 20 HD21 LEU 20 -7.293 1.218 -6.505
179 HD22 LEU 20 HD22 LEU 20 -6.579 0.383 -5.126
180 HD23 LEU 20 HD23 LEU 20 -7.859 1.569 -4.874
181 H LYS 21 HN LYS 21 -9.588 0.168 -0.721
182 HA LYS 21 HA LYS 21 -10.952 -2.259 -0.196
183 HB2 LYS 21 HB2 LYS 21 -9.463 -1.207 1.437
184 HB3 LYS 21 HB1 LYS 21 -10.561 0.158 1.573
185 HG2 LYS 21 HG2 LYS 21 -12.278 -1.307 2.490
186 HG3 LYS 21 HG1 LYS 21 -11.185 -2.687 2.344
187 HD2 LYS 21 HD2 LYS 21 -9.598 -1.536 3.854
188 HD3 LYS 21 HD1 LYS 21 -10.767 -0.232 4.051
189 HE2 LYS 21 HE2 LYS 21 -10.849 -1.809 5.922
190 HE3 LYS 21 HE1 LYS 21 -12.365 -1.790 5.028
191 HZ1 LYS 21 HZ1 LYS 21 -11.749 -3.821 3.937
192 HZ2 LYS 21 HZ2 LYS 21 -11.611 -4.038 5.606
193 HZ3 LYS 21 HZ3 LYS 21 -10.225 -3.813 4.668
194 H GLU 22 HN GLU 22 -12.030 1.137 -0.009
195 HA GLU 22 HA GLU 22 -14.775 0.268 0.314
196 HB2 GLU 22 HB2 GLU 22 -13.623 3.048 0.082
197 HB3 GLU 22 HB1 GLU 22 -15.293 2.669 0.469
198 HG2 GLU 22 HG2 GLU 22 -14.498 1.494 2.501
199 HG3 GLU 22 HG1 GLU 22 -12.865 2.042 2.131
200 H LEU 23 HN LEU 23 -14.381 -0.837 -1.867
201 HA LEU 23 HA LEU 23 -15.084 0.998 -4.057
202 HB2 LEU 23 HB2 LEU 23 -13.061 -0.411 -4.376
203 HB3 LEU 23 HB1 LEU 23 -14.056 -1.842 -4.192
204 HG LEU 23 HG LEU 23 -15.322 -1.168 -6.231
205 HD11 LEU 23 HD11 LEU 23 -13.176 0.937 -6.450
206 HD12 LEU 23 HD12 LEU 23 -14.892 1.226 -6.163
207 HD13 LEU 23 HD13 LEU 23 -14.359 0.537 -7.695
208 HD21 LEU 23 HD21 LEU 23 -13.542 -1.770 -7.812
209 HD22 LEU 23 HD22 LEU 23 -13.532 -2.795 -6.377
210 HD23 LEU 23 HD23 LEU 23 -12.343 -1.504 -6.547
211 H GLN 24 HN GLN 24 -17.220 0.982 -2.913
212 HA GLN 24 HA GLN 24 -18.763 -1.458 -3.437
213 HB2 GLN 24 HB2 GLN 24 -19.264 0.855 -1.567
214 HB3 GLN 24 HB1 GLN 24 -20.443 -0.412 -1.873
215 HG2 GLN 24 HG2 GLN 24 -17.684 -0.825 -0.740
216 HG3 GLN 24 HG1 GLN 24 -19.184 -0.802 0.187
217 HE21 GLN 24 HE21 GLN 24 -20.711 -2.223 -1.839
218 HE22 GLN 24 HE22 GLN 24 -20.184 -3.871 -1.778
219 H ASP 25 HN ASP 25 -20.401 -1.473 -4.849
220 HA ASP 25 HA ASP 25 -20.557 0.587 -6.777
221 HB2 ASP 25 HB2 ASP 25 -20.999 -1.717 -7.402
222 HB3 ASP 25 HB1 ASP 25 -22.377 -1.778 -6.305
Start of MODEL 8
1 H1 PHE 1 HT1 PHE 1 25.083 1.498 0.255
2 H2 PHE 1 HT2 PHE 1 25.160 2.242 -1.258
3 H3 PHE 1 HT3 PHE 1 24.451 0.719 -1.105
4 HA PHE 1 HA PHE 1 23.456 3.233 0.085
5 HB2 PHE 1 HB2 PHE 1 21.521 2.889 -1.486
6 HB3 PHE 1 HB1 PHE 1 23.038 3.300 -2.271
7 HD1 PHE 1 HD1 PHE 1 20.468 0.772 -1.832
8 HD2 PHE 1 HD2 PHE 1 24.244 1.633 -3.587
9 HE1 PHE 1 HE1 PHE 1 20.227 -1.182 -3.301
10 HE2 PHE 1 HE2 PHE 1 24.012 -0.321 -5.058
11 HZ PHE 1 HZ PHE 1 22.000 -1.733 -4.917
12 H GLU 2 HN GLU 2 22.883 -0.245 -0.420
13 HA GLU 2 HA GLU 2 21.678 -1.772 0.748
14 HB2 GLU 2 HB2 GLU 2 22.548 -0.004 3.038
15 HB3 GLU 2 HB1 GLU 2 21.925 -1.637 3.213
16 HG2 GLU 2 HG2 GLU 2 24.457 -0.839 1.794
17 HG3 GLU 2 HG1 GLU 2 24.337 -1.616 3.371
18 H THR 3 HN THR 3 19.838 -0.489 -0.421
19 HA THR 3 HA THR 3 17.893 0.304 1.635
20 HB THR 3 HB THR 3 16.761 1.569 -0.262
21 HG1 THR 3 HG1 THR 3 17.896 0.720 -2.016
22 HG21 THR 3 HG21 THR 3 18.197 3.531 0.010
23 HG22 THR 3 HG22 THR 3 19.476 2.507 0.662
24 HG23 THR 3 HG23 THR 3 17.961 2.694 1.544
25 H LEU 4 HN LEU 4 16.978 -1.701 1.931
26 HA LEU 4 HA LEU 4 16.163 -3.319 -0.305
27 HB2 LEU 4 HB2 LEU 4 16.896 -4.336 1.811
28 HB3 LEU 4 HB1 LEU 4 15.545 -3.589 2.639
29 HG LEU 4 HG LEU 4 14.007 -4.920 1.175
30 HD11 LEU 4 HD11 LEU 4 14.928 -6.860 0.008
31 HD12 LEU 4 HD12 LEU 4 16.560 -6.325 0.406
32 HD13 LEU 4 HD13 LEU 4 15.549 -5.352 -0.661
33 HD21 LEU 4 HD21 LEU 4 15.938 -6.490 2.875
34 HD22 LEU 4 HD22 LEU 4 14.315 -7.000 2.408
35 HD23 LEU 4 HD23 LEU 4 14.532 -5.600 3.460
36 H ARG 5 HN ARG 5 14.710 -2.144 -1.483
37 HA ARG 5 HA ARG 5 12.390 -1.001 -0.151
38 HB2 ARG 5 HB2 ARG 5 13.161 -0.944 -3.067
39 HB3 ARG 5 HB1 ARG 5 11.858 -0.028 -2.327
40 HG2 ARG 5 HG2 ARG 5 13.472 1.194 -0.967
41 HG3 ARG 5 HG1 ARG 5 14.788 0.266 -1.691
42 HD2 ARG 5 HD2 ARG 5 14.618 2.429 -2.759
43 HD3 ARG 5 HD1 ARG 5 14.173 1.160 -3.899
44 HE ARG 5 HE ARG 5 11.869 2.172 -2.586
45 HH11 ARG 5 HH11 ARG 5 14.202 2.999 -5.063
46 HH12 ARG 5 HH12 ARG 5 13.109 4.026 -5.926
47 HH21 ARG 5 HH21 ARG 5 10.433 3.503 -3.706
48 HH22 ARG 5 HH22 ARG 5 10.946 4.304 -5.165
49 H GLY 6 HN GLY 6 13.074 -3.984 -0.892
50 HA2 GLY 6 HA2 GLY 6 10.987 -4.938 -2.513
51 HA3 GLY 6 HA1 GLY 6 11.825 -5.874 -1.286
52 H ASP 7 HN ASP 7 11.146 -4.547 1.019
53 HA ASP 7 HA ASP 7 8.446 -5.388 1.376
54 HB2 ASP 7 HB2 ASP 7 8.714 -4.560 3.699
55 HB3 ASP 7 HB1 ASP 7 9.982 -5.673 3.206
56 H GLU 8 HN GLU 8 9.961 -2.420 0.582
57 HA GLU 8 HA GLU 8 7.926 -0.620 1.326
58 HB2 GLU 8 HB2 GLU 8 10.146 0.153 0.699
59 HB3 GLU 8 HB1 GLU 8 9.940 -0.485 -0.925
60 HG2 GLU 8 HG2 GLU 8 8.092 1.111 -1.271
61 HG3 GLU 8 HG1 GLU 8 8.414 1.784 0.323
62 H ARG 9 HN ARG 9 8.380 -2.740 -1.413
63 HA ARG 9 HA ARG 9 6.381 -1.709 -3.110
64 HB2 ARG 9 HB2 ARG 9 7.386 -4.546 -2.804
65 HB3 ARG 9 HB1 ARG 9 6.361 -3.989 -4.118
66 HG2 ARG 9 HG2 ARG 9 9.144 -3.002 -3.523
67 HG3 ARG 9 HG1 ARG 9 8.699 -4.146 -4.788
68 HD2 ARG 9 HD2 ARG 9 7.792 -1.279 -4.574
69 HD3 ARG 9 HD1 ARG 9 8.981 -1.914 -5.707
70 HE ARG 9 HE ARG 9 6.663 -3.373 -6.107
71 HH11 ARG 9 HH11 ARG 9 7.712 -0.043 -6.369
72 HH12 ARG 9 HH12 ARG 9 6.553 0.360 -7.597
73 HH21 ARG 9 HH21 ARG 9 5.141 -2.849 -7.732
74 HH22 ARG 9 HH22 ARG 9 5.094 -1.237 -8.371
75 H ILE 10 HN ILE 10 6.313 -4.059 -0.510
76 HA ILE 10 HA ILE 10 3.600 -4.810 -0.749
77 HB ILE 10 HB ILE 10 5.352 -4.795 1.721
78 HG12 ILE 10 HG12 ILE 10 4.707 -7.064 -0.173
79 HG13 ILE 10 HG11 ILE 10 6.216 -6.159 -0.186
80 HG21 ILE 10 HG21 ILE 10 2.767 -6.253 1.176
81 HG22 ILE 10 HG22 ILE 10 2.992 -4.915 2.302
82 HG23 ILE 10 HG23 ILE 10 3.781 -6.464 2.603
83 HD11 ILE 10 HD11 ILE 10 6.495 -8.262 0.962
84 HD12 ILE 10 HD12 ILE 10 5.175 -7.865 2.061
85 HD13 ILE 10 HD13 ILE 10 6.667 -6.928 2.102
86 H LEU 11 HN LEU 11 5.265 -2.222 0.901
87 HA LEU 11 HA LEU 11 3.177 -1.268 2.505
88 HB2 LEU 11 HB2 LEU 11 5.588 -0.672 2.687
89 HB3 LEU 11 HB1 LEU 11 5.439 0.283 1.230
90 HG LEU 11 HG LEU 11 3.798 0.900 3.681
91 HD11 LEU 11 HD11 LEU 11 6.548 1.934 2.991
92 HD12 LEU 11 HD12 LEU 11 6.151 0.873 4.342
93 HD13 LEU 11 HD13 LEU 11 5.522 2.520 4.299
94 HD21 LEU 11 HD21 LEU 11 3.098 1.964 1.601
95 HD22 LEU 11 HD22 LEU 11 4.736 2.563 1.342
96 HD23 LEU 11 HD23 LEU 11 3.788 3.152 2.707
97 H SER 12 HN SER 12 4.184 -0.345 -0.793
98 HA SER 12 HA SER 12 2.085 1.583 -1.035
99 HB2 SER 12 HB2 SER 12 2.836 1.729 -3.403
100 HB3 SER 12 HB1 SER 12 4.139 1.946 -2.239
101 HG SER 12 HG SER 12 3.653 -0.166 -4.006
102 H ILE 13 HN ILE 13 2.512 -1.776 -1.971
103 HA ILE 13 HA ILE 13 0.193 -1.892 -3.606
104 HB ILE 13 HB ILE 13 1.771 -4.066 -2.240
105 HG12 ILE 13 HG12 ILE 13 1.501 -3.246 -5.141
106 HG13 ILE 13 HG11 ILE 13 2.867 -2.861 -4.100
107 HG21 ILE 13 HG21 ILE 13 -0.566 -4.354 -4.124
108 HG22 ILE 13 HG22 ILE 13 -0.511 -4.850 -2.433
109 HG23 ILE 13 HG23 ILE 13 0.501 -5.666 -3.626
110 HD11 ILE 13 HD11 ILE 13 2.010 -5.621 -4.931
111 HD12 ILE 13 HD12 ILE 13 3.385 -5.231 -3.899
112 HD13 ILE 13 HD13 ILE 13 3.372 -4.712 -5.584
113 H LEU 14 HN LEU 14 0.794 -2.608 -0.186
114 HA LEU 14 HA LEU 14 -1.818 -3.381 0.493
115 HB2 LEU 14 HB2 LEU 14 0.041 -3.653 2.035
116 HB3 LEU 14 HB1 LEU 14 0.263 -1.916 2.119
117 HG LEU 14 HG LEU 14 -2.009 -1.742 3.155
118 HD11 LEU 14 HD11 LEU 14 -3.009 -3.759 4.096
119 HD12 LEU 14 HD12 LEU 14 -1.779 -4.743 3.303
120 HD13 LEU 14 HD13 LEU 14 -2.942 -3.836 2.336
121 HD21 LEU 14 HD21 LEU 14 0.003 -1.679 4.515
122 HD22 LEU 14 HD22 LEU 14 0.019 -3.441 4.597
123 HD23 LEU 14 HD23 LEU 14 -1.289 -2.536 5.357
124 H ARG 15 HN ARG 15 -0.280 -0.215 0.282
125 HA ARG 15 HA ARG 15 -2.422 1.361 1.133
126 HB2 ARG 15 HB2 ARG 15 -0.098 2.158 0.767
127 HB3 ARG 15 HB1 ARG 15 -0.354 2.033 -0.966
128 HG2 ARG 15 HG2 ARG 15 -2.061 3.744 -0.871
129 HG3 ARG 15 HG1 ARG 15 -1.905 3.829 0.886
130 HD2 ARG 15 HD2 ARG 15 0.485 4.457 0.580
131 HD3 ARG 15 HD1 ARG 15 0.200 4.523 -1.157
132 HE ARG 15 HE ARG 15 -1.685 6.186 0.025
133 HH11 ARG 15 HH11 ARG 15 1.789 5.988 -0.289
134 HH12 ARG 15 HH12 ARG 15 2.038 7.698 -0.136
135 HH21 ARG 15 HH21 ARG 15 -1.372 8.448 0.244
136 HH22 ARG 15 HH22 ARG 15 0.240 9.096 0.176
137 H HIS 16 HN HIS 16 -1.711 -0.113 -1.967
138 HA HIS 16 HA HIS 16 -3.858 1.167 -3.360
139 HB2 HIS 16 HB2 HIS 16 -2.200 -1.266 -4.022
140 HB3 HIS 16 HB1 HIS 16 -3.476 -0.664 -5.070
141 HD1 HIS 16 HD1 HIS 16 -1.117 -0.571 -6.607
142 HD2 HIS 16 HD2 HIS 16 -1.772 2.366 -3.743
143 HE1 HIS 16 HE1 HIS 16 0.367 1.350 -7.261
144 HE2 HIS 16 HE2 HIS 16 0.086 3.038 -5.409
145 H GLN 17 HN GLN 17 -3.507 -1.778 -1.503
146 HA GLN 17 HA GLN 17 -5.999 -2.916 -2.264
147 HB2 GLN 17 HB2 GLN 17 -4.339 -3.363 0.224
148 HB3 GLN 17 HB1 GLN 17 -5.741 -4.320 -0.225
149 HG2 GLN 17 HG2 GLN 17 -3.063 -4.188 -1.571
150 HG3 GLN 17 HG1 GLN 17 -3.884 -5.585 -0.878
151 HE21 GLN 17 HE21 GLN 17 -3.542 -3.549 -3.632
152 HE22 GLN 17 HE22 GLN 17 -4.547 -4.464 -4.703
153 H ASN 18 HN ASN 18 -4.978 -0.640 0.190
154 HA ASN 18 HA ASN 18 -7.351 -0.472 1.672
155 HB2 ASN 18 HB2 ASN 18 -5.313 0.620 2.431
156 HB3 ASN 18 HB1 ASN 18 -5.307 1.666 1.014
157 HD21 ASN 18 HD21 ASN 18 -5.425 3.592 2.074
158 HD22 ASN 18 HD22 ASN 18 -6.789 4.085 3.010
159 H LEU 19 HN LEU 19 -6.358 1.107 -1.309
160 HA LEU 19 HA LEU 19 -8.696 2.726 -1.548
161 HB2 LEU 19 HB2 LEU 19 -6.661 1.913 -3.627
162 HB3 LEU 19 HB1 LEU 19 -7.867 3.170 -3.827
163 HG LEU 19 HG LEU 19 -5.624 3.233 -1.802
164 HD11 LEU 19 HD11 LEU 19 -4.780 3.431 -4.077
165 HD12 LEU 19 HD12 LEU 19 -4.673 4.977 -3.236
166 HD13 LEU 19 HD13 LEU 19 -5.955 4.700 -4.416
167 HD21 LEU 19 HD21 LEU 19 -6.295 5.573 -1.507
168 HD22 LEU 19 HD22 LEU 19 -7.586 4.460 -1.057
169 HD23 LEU 19 HD23 LEU 19 -7.656 5.314 -2.598
170 H LEU 20 HN LEU 20 -7.833 -0.499 -2.473
171 HA LEU 20 HA LEU 20 -9.952 -0.776 -4.413
172 HB2 LEU 20 HB2 LEU 20 -7.793 -1.934 -4.677
173 HB3 LEU 20 HB1 LEU 20 -8.103 -2.836 -3.207
174 HG LEU 20 HG LEU 20 -10.064 -3.889 -4.295
175 HD11 LEU 20 HD11 LEU 20 -10.335 -3.682 -6.719
176 HD12 LEU 20 HD12 LEU 20 -9.080 -2.446 -6.753
177 HD13 LEU 20 HD13 LEU 20 -10.593 -2.143 -5.900
178 HD21 LEU 20 HD21 LEU 20 -7.447 -4.190 -5.766
179 HD22 LEU 20 HD22 LEU 20 -8.778 -5.345 -5.795
180 HD23 LEU 20 HD23 LEU 20 -7.919 -5.029 -4.288
181 H LYS 21 HN LYS 21 -9.319 -1.707 -1.083
182 HA LYS 21 HA LYS 21 -11.525 -3.437 -0.751
183 HB2 LYS 21 HB2 LYS 21 -9.617 -3.377 0.803
184 HB3 LYS 21 HB1 LYS 21 -10.087 -1.761 1.314
185 HG2 LYS 21 HG2 LYS 21 -12.217 -2.669 2.149
186 HG3 LYS 21 HG1 LYS 21 -11.679 -4.286 1.695
187 HD2 LYS 21 HD2 LYS 21 -9.744 -4.031 3.203
188 HD3 LYS 21 HD1 LYS 21 -10.364 -2.455 3.696
189 HE2 LYS 21 HE2 LYS 21 -10.986 -4.126 5.336
190 HE3 LYS 21 HE1 LYS 21 -12.426 -3.546 4.502
191 HZ1 LYS 21 HZ1 LYS 21 -12.381 -5.522 3.120
192 HZ2 LYS 21 HZ2 LYS 21 -12.441 -5.951 4.753
193 HZ3 LYS 21 HZ3 LYS 21 -10.986 -6.073 3.901
194 H GLU 22 HN GLU 22 -13.619 -3.057 -0.349
195 HA GLU 22 HA GLU 22 -14.525 -0.298 -0.494
196 HB2 GLU 22 HB2 GLU 22 -16.149 -2.847 -0.455
197 HB3 GLU 22 HB1 GLU 22 -16.731 -1.238 -0.869
198 HG2 GLU 22 HG2 GLU 22 -15.244 -1.211 -2.815
199 HG3 GLU 22 HG1 GLU 22 -14.696 -2.836 -2.406
200 H LEU 23 HN LEU 23 -13.650 0.149 1.663
201 HA LEU 23 HA LEU 23 -14.899 -1.054 3.952
202 HB2 LEU 23 HB2 LEU 23 -12.596 -0.109 3.979
203 HB3 LEU 23 HB1 LEU 23 -13.279 1.490 3.769
204 HG LEU 23 HG LEU 23 -14.464 1.223 5.944
205 HD11 LEU 23 HD11 LEU 23 -13.725 -0.565 7.453
206 HD12 LEU 23 HD12 LEU 23 -12.805 -1.287 6.134
207 HD13 LEU 23 HD13 LEU 23 -14.564 -1.200 6.038
208 HD21 LEU 23 HD21 LEU 23 -11.467 0.909 6.025
209 HD22 LEU 23 HD22 LEU 23 -12.473 1.542 7.327
210 HD23 LEU 23 HD23 LEU 23 -12.347 2.420 5.802
211 H GLN 24 HN GLN 24 -17.102 -0.759 3.513
212 HA GLN 24 HA GLN 24 -18.062 2.022 3.649
213 HB2 GLN 24 HB2 GLN 24 -19.448 -0.376 2.431
214 HB3 GLN 24 HB1 GLN 24 -20.030 1.283 2.409
215 HG2 GLN 24 HG2 GLN 24 -18.200 1.957 0.996
216 HG3 GLN 24 HG1 GLN 24 -17.482 0.352 1.105
217 HE21 GLN 24 HE21 GLN 24 -19.986 2.283 -0.300
218 HE22 GLN 24 HE22 GLN 24 -20.499 1.123 -1.474
219 H ASP 25 HN ASP 25 -19.229 2.558 5.402
220 HA ASP 25 HA ASP 25 -20.158 0.382 7.145
221 HB2 ASP 25 HB2 ASP 25 -18.570 1.913 8.205
222 HB3 ASP 25 HB1 ASP 25 -19.600 3.282 7.801
Start of MODEL 9
1 H1 PHE 1 HT1 PHE 1 24.828 3.921 -1.180
2 H2 PHE 1 HT2 PHE 1 24.262 2.995 -2.475
3 H3 PHE 1 HT3 PHE 1 24.560 2.262 -0.981
4 HA PHE 1 HA PHE 1 22.811 3.586 0.035
5 HB2 PHE 1 HB2 PHE 1 22.933 5.478 -1.551
6 HB3 PHE 1 HB1 PHE 1 22.278 4.450 -2.820
7 HD1 PHE 1 HD1 PHE 1 21.438 5.583 0.634
8 HD2 PHE 1 HD2 PHE 1 20.035 4.560 -3.251
9 HE1 PHE 1 HE1 PHE 1 19.156 6.218 1.295
10 HE2 PHE 1 HE2 PHE 1 17.750 5.192 -2.595
11 HZ PHE 1 HZ PHE 1 17.307 6.023 -0.320
12 H GLU 2 HN GLU 2 22.271 2.374 -3.287
13 HA GLU 2 HA GLU 2 21.160 0.578 -4.097
14 HB2 GLU 2 HB2 GLU 2 22.360 -0.811 -2.498
15 HB3 GLU 2 HB1 GLU 2 21.224 -0.385 -1.228
16 HG2 GLU 2 HG2 GLU 2 20.765 -2.603 -2.040
17 HG3 GLU 2 HG1 GLU 2 19.435 -1.528 -2.463
18 H THR 3 HN THR 3 19.137 0.583 -4.784
19 HA THR 3 HA THR 3 17.118 1.928 -3.199
20 HB THR 3 HB THR 3 15.709 1.495 -5.300
21 HG1 THR 3 HG1 THR 3 17.988 1.320 -6.826
22 HG21 THR 3 HG21 THR 3 16.740 3.374 -6.481
23 HG22 THR 3 HG22 THR 3 18.196 3.194 -5.503
24 HG23 THR 3 HG23 THR 3 16.677 3.670 -4.745
25 H LEU 4 HN LEU 4 17.007 0.280 -1.564
26 HA LEU 4 HA LEU 4 15.950 -2.310 -2.334
27 HB2 LEU 4 HB2 LEU 4 17.660 -2.113 -0.560
28 HB3 LEU 4 HB1 LEU 4 16.527 -1.185 0.403
29 HG LEU 4 HG LEU 4 15.030 -3.155 0.489
30 HD11 LEU 4 HD11 LEU 4 17.315 -4.549 -0.901
31 HD12 LEU 4 HD12 LEU 4 15.709 -4.253 -1.567
32 HD13 LEU 4 HD13 LEU 4 15.906 -5.340 -0.194
33 HD21 LEU 4 HD21 LEU 4 16.593 -2.728 2.298
34 HD22 LEU 4 HD22 LEU 4 17.848 -3.627 1.448
35 HD23 LEU 4 HD23 LEU 4 16.411 -4.462 2.034
36 H ARG 5 HN ARG 5 13.958 -1.837 -3.145
37 HA ARG 5 HA ARG 5 12.049 -0.473 -1.375
38 HB2 ARG 5 HB2 ARG 5 11.922 -0.950 -4.348
39 HB3 ARG 5 HB1 ARG 5 10.719 -0.089 -3.403
40 HG2 ARG 5 HG2 ARG 5 12.357 1.621 -2.850
41 HG3 ARG 5 HG1 ARG 5 13.584 0.752 -3.777
42 HD2 ARG 5 HD2 ARG 5 12.623 2.589 -5.071
43 HD3 ARG 5 HD1 ARG 5 12.261 1.024 -5.802
44 HE ARG 5 HE ARG 5 10.258 2.234 -4.030
45 HH11 ARG 5 HH11 ARG 5 11.273 1.410 -7.291
46 HH12 ARG 5 HH12 ARG 5 9.674 1.552 -7.951
47 HH21 ARG 5 HH21 ARG 5 8.184 2.433 -4.896
48 HH22 ARG 5 HH22 ARG 5 7.913 2.150 -6.591
49 H GLY 6 HN GLY 6 12.901 -3.433 -1.572
50 HA2 GLY 6 HA2 GLY 6 10.806 -4.967 -2.613
51 HA3 GLY 6 HA1 GLY 6 11.894 -5.485 -1.336
52 H ASP 7 HN ASP 7 11.301 -3.847 0.724
53 HA ASP 7 HA ASP 7 8.769 -4.868 1.577
54 HB2 ASP 7 HB2 ASP 7 9.236 -3.858 3.707
55 HB3 ASP 7 HB1 ASP 7 10.714 -4.602 3.115
56 H GLU 8 HN GLU 8 9.957 -1.856 0.343
57 HA GLU 8 HA GLU 8 7.820 -0.185 1.088
58 HB2 GLU 8 HB2 GLU 8 9.983 0.644 0.244
59 HB3 GLU 8 HB1 GLU 8 9.611 -0.013 -1.341
60 HG2 GLU 8 HG2 GLU 8 7.588 1.484 -1.350
61 HG3 GLU 8 HG1 GLU 8 8.263 2.255 0.084
62 H ARG 9 HN ARG 9 8.286 -2.421 -1.575
63 HA ARG 9 HA ARG 9 6.071 -1.585 -3.124
64 HB2 ARG 9 HB2 ARG 9 7.544 -4.211 -2.982
65 HB3 ARG 9 HB1 ARG 9 6.224 -3.919 -4.107
66 HG2 ARG 9 HG2 ARG 9 8.793 -2.353 -3.984
67 HG3 ARG 9 HG1 ARG 9 8.411 -3.616 -5.153
68 HD2 ARG 9 HD2 ARG 9 6.938 -1.004 -4.806
69 HD3 ARG 9 HD1 ARG 9 8.055 -1.404 -6.110
70 HE ARG 9 HE ARG 9 6.304 -3.330 -6.449
71 HH11 ARG 9 HH11 ARG 9 5.684 0.021 -5.669
72 HH12 ARG 9 HH12 ARG 9 4.154 0.070 -6.477
73 HH21 ARG 9 HH21 ARG 9 4.283 -3.279 -7.519
74 HH22 ARG 9 HH22 ARG 9 3.353 -1.816 -7.526
75 H ILE 10 HN ILE 10 6.435 -3.917 -0.522
76 HA ILE 10 HA ILE 10 3.810 -4.948 -0.623
77 HB ILE 10 HB ILE 10 5.731 -4.731 1.702
78 HG12 ILE 10 HG12 ILE 10 4.982 -7.047 -0.100
79 HG13 ILE 10 HG11 ILE 10 6.503 -6.163 -0.138
80 HG21 ILE 10 HG21 ILE 10 3.142 -6.264 1.518
81 HG22 ILE 10 HG22 ILE 10 3.464 -4.873 2.554
82 HG23 ILE 10 HG23 ILE 10 4.315 -6.392 2.829
83 HD11 ILE 10 HD11 ILE 10 5.488 -7.871 2.120
84 HD12 ILE 10 HD12 ILE 10 6.992 -6.951 2.134
85 HD13 ILE 10 HD13 ILE 10 6.780 -8.275 0.989
86 H LEU 11 HN LEU 11 5.256 -2.218 1.077
87 HA LEU 11 HA LEU 11 2.992 -1.405 2.531
88 HB2 LEU 11 HB2 LEU 11 5.391 -0.654 2.832
89 HB3 LEU 11 HB1 LEU 11 5.176 0.370 1.432
90 HG LEU 11 HG LEU 11 3.443 0.649 3.881
91 HD11 LEU 11 HD11 LEU 11 6.062 2.015 3.278
92 HD12 LEU 11 HD12 LEU 11 5.734 0.903 4.608
93 HD13 LEU 11 HD13 LEU 11 4.941 2.478 4.560
94 HD21 LEU 11 HD21 LEU 11 4.153 2.544 1.640
95 HD22 LEU 11 HD22 LEU 11 3.142 2.929 3.033
96 HD23 LEU 11 HD23 LEU 11 2.606 1.724 1.861
97 H SER 12 HN SER 12 4.213 -0.364 -0.653
98 HA SER 12 HA SER 12 2.155 1.541 -1.050
99 HB2 SER 12 HB2 SER 12 3.011 1.466 -3.458
100 HB3 SER 12 HB1 SER 12 4.159 1.941 -2.209
101 HG SER 12 HG SER 12 5.144 0.001 -2.343
102 H ILE 13 HN ILE 13 2.537 -1.827 -2.042
103 HA ILE 13 HA ILE 13 0.184 -1.879 -3.638
104 HB ILE 13 HB ILE 13 1.738 -4.110 -2.326
105 HG12 ILE 13 HG12 ILE 13 1.506 -3.251 -5.218
106 HG13 ILE 13 HG11 ILE 13 2.850 -2.848 -4.157
107 HG21 ILE 13 HG21 ILE 13 0.452 -5.657 -3.737
108 HG22 ILE 13 HG22 ILE 13 -0.572 -4.318 -4.256
109 HG23 ILE 13 HG23 ILE 13 -0.572 -4.825 -2.568
110 HD11 ILE 13 HD11 ILE 13 3.390 -4.697 -5.641
111 HD12 ILE 13 HD12 ILE 13 2.042 -5.624 -4.981
112 HD13 ILE 13 HD13 ILE 13 3.410 -5.201 -3.952
113 H LEU 14 HN LEU 14 0.862 -2.533 -0.242
114 HA LEU 14 HA LEU 14 -1.717 -3.371 0.498
115 HB2 LEU 14 HB2 LEU 14 0.273 -3.547 1.956
116 HB3 LEU 14 HB1 LEU 14 0.287 -1.804 2.127
117 HG LEU 14 HG LEU 14 -1.961 -1.948 3.204
118 HD11 LEU 14 HD11 LEU 14 -2.693 -4.066 2.269
119 HD12 LEU 14 HD12 LEU 14 -2.700 -4.136 4.031
120 HD13 LEU 14 HD13 LEU 14 -1.401 -4.910 3.124
121 HD21 LEU 14 HD21 LEU 14 0.266 -3.510 4.504
122 HD22 LEU 14 HD22 LEU 14 -1.116 -2.804 5.339
123 HD23 LEU 14 HD23 LEU 14 0.059 -1.759 4.541
124 H ARG 15 HN ARG 15 -0.246 -0.175 0.197
125 HA ARG 15 HA ARG 15 -2.429 1.352 1.057
126 HB2 ARG 15 HB2 ARG 15 -0.182 2.286 0.701
127 HB3 ARG 15 HB1 ARG 15 -0.355 2.044 -1.031
128 HG2 ARG 15 HG2 ARG 15 -2.160 3.647 -1.114
129 HG3 ARG 15 HG1 ARG 15 -2.100 3.844 0.638
130 HD2 ARG 15 HD2 ARG 15 0.243 4.638 0.409
131 HD3 ARG 15 HD1 ARG 15 0.058 4.559 -1.341
132 HE ARG 15 HE ARG 15 -2.021 6.135 -0.416
133 HH11 ARG 15 HH11 ARG 15 1.475 6.236 -0.365
134 HH12 ARG 15 HH12 ARG 15 1.553 7.968 -0.348
135 HH21 ARG 15 HH21 ARG 15 -1.923 8.417 -0.386
136 HH22 ARG 15 HH22 ARG 15 -0.379 9.209 -0.353
137 H HIS 16 HN HIS 16 -1.677 -0.107 -2.044
138 HA HIS 16 HA HIS 16 -3.800 1.106 -3.493
139 HB2 HIS 16 HB2 HIS 16 -2.267 -1.448 -4.007
140 HB3 HIS 16 HB1 HIS 16 -3.462 -0.790 -5.115
141 HD1 HIS 16 HD1 HIS 16 -0.794 -1.083 -6.313
142 HD2 HIS 16 HD2 HIS 16 -1.807 2.287 -4.096
143 HE1 HIS 16 HE1 HIS 16 0.776 0.727 -7.077
144 HE2 HIS 16 HE2 HIS 16 0.025 2.796 -5.850
145 H GLN 17 HN GLN 17 -3.596 -1.625 -1.366
146 HA GLN 17 HA GLN 17 -6.165 -2.691 -2.077
147 HB2 GLN 17 HB2 GLN 17 -4.429 -3.200 0.348
148 HB3 GLN 17 HB1 GLN 17 -5.897 -4.085 -0.037
149 HG2 GLN 17 HG2 GLN 17 -3.347 -4.034 -1.638
150 HG3 GLN 17 HG1 GLN 17 -3.995 -5.380 -0.702
151 HE21 GLN 17 HE21 GLN 17 -3.330 -5.128 -3.559
152 HE22 GLN 17 HE22 GLN 17 -4.773 -5.551 -4.415
153 H ASN 18 HN ASN 18 -4.899 -0.432 0.291
154 HA ASN 18 HA ASN 18 -7.296 -0.173 1.780
155 HB2 ASN 18 HB2 ASN 18 -5.205 0.577 2.757
156 HB3 ASN 18 HB1 ASN 18 -4.968 1.735 1.456
157 HD21 ASN 18 HD21 ASN 18 -5.906 3.723 1.601
158 HD22 ASN 18 HD22 ASN 18 -6.891 4.226 2.925
159 H LEU 19 HN LEU 19 -6.038 1.401 -1.083
160 HA LEU 19 HA LEU 19 -8.158 3.302 -1.292
161 HB2 LEU 19 HB2 LEU 19 -6.130 2.315 -3.285
162 HB3 LEU 19 HB1 LEU 19 -7.307 3.560 -3.652
163 HG LEU 19 HG LEU 19 -5.196 3.759 -1.501
164 HD11 LEU 19 HD11 LEU 19 -5.341 5.031 -4.230
165 HD12 LEU 19 HD12 LEU 19 -4.202 3.786 -3.718
166 HD13 LEU 19 HD13 LEU 19 -4.139 5.390 -2.991
167 HD21 LEU 19 HD21 LEU 19 -7.161 5.056 -0.946
168 HD22 LEU 19 HD22 LEU 19 -7.185 5.763 -2.561
169 HD23 LEU 19 HD23 LEU 19 -5.864 6.137 -1.455
170 H LEU 20 HN LEU 20 -7.814 -0.016 -2.092
171 HA LEU 20 HA LEU 20 -9.827 -0.125 -4.111
172 HB2 LEU 20 HB2 LEU 20 -8.044 -1.824 -3.869
173 HB3 LEU 20 HB1 LEU 20 -8.741 -2.320 -2.340
174 HG LEU 20 HG LEU 20 -10.788 -3.042 -3.519
175 HD11 LEU 20 HD11 LEU 20 -9.238 -2.322 -6.003
176 HD12 LEU 20 HD12 LEU 20 -10.710 -1.545 -5.424
177 HD13 LEU 20 HD13 LEU 20 -10.754 -3.220 -5.968
178 HD21 LEU 20 HD21 LEU 20 -8.238 -4.231 -4.599
179 HD22 LEU 20 HD22 LEU 20 -9.818 -5.013 -4.579
180 HD23 LEU 20 HD23 LEU 20 -9.000 -4.637 -3.063
181 H LYS 21 HN LYS 21 -9.799 -0.095 -0.660
182 HA LYS 21 HA LYS 21 -12.633 -0.812 -0.532
183 HB2 LYS 21 HB2 LYS 21 -10.452 -0.561 1.499
184 HB3 LYS 21 HB1 LYS 21 -12.119 -0.368 2.015
185 HG2 LYS 21 HG2 LYS 21 -11.444 -2.627 2.393
186 HG3 LYS 21 HG1 LYS 21 -12.624 -2.602 1.085
187 HD2 LYS 21 HD2 LYS 21 -10.847 -2.811 -0.556
188 HD3 LYS 21 HD1 LYS 21 -9.631 -2.748 0.724
189 HE2 LYS 21 HE2 LYS 21 -10.550 -4.807 1.686
190 HE3 LYS 21 HE1 LYS 21 -11.745 -4.876 0.392
191 HZ1 LYS 21 HZ1 LYS 21 -8.808 -4.958 -0.016
192 HZ2 LYS 21 HZ2 LYS 21 -9.998 -5.148 -1.207
193 HZ3 LYS 21 HZ3 LYS 21 -9.818 -6.314 0.001
194 H GLU 22 HN GLU 22 -13.803 0.594 1.232
195 HA GLU 22 HA GLU 22 -14.819 2.555 1.723
196 HB2 GLU 22 HB2 GLU 22 -12.491 2.924 2.689
197 HB3 GLU 22 HB1 GLU 22 -12.147 3.873 1.253
198 HG2 GLU 22 HG2 GLU 22 -13.927 5.422 1.826
199 HG3 GLU 22 HG1 GLU 22 -14.327 4.454 3.243
200 H LEU 23 HN LEU 23 -14.917 1.652 -0.938
201 HA LEU 23 HA LEU 23 -14.864 4.119 -2.523
202 HB2 LEU 23 HB2 LEU 23 -15.216 1.235 -3.334
203 HB3 LEU 23 HB1 LEU 23 -15.352 2.583 -4.444
204 HG LEU 23 HG LEU 23 -12.867 1.790 -2.922
205 HD11 LEU 23 HD11 LEU 23 -13.443 0.262 -4.743
206 HD12 LEU 23 HD12 LEU 23 -11.994 1.197 -5.113
207 HD13 LEU 23 HD13 LEU 23 -13.534 1.627 -5.856
208 HD21 LEU 23 HD21 LEU 23 -11.763 3.499 -4.317
209 HD22 LEU 23 HD22 LEU 23 -12.944 4.191 -3.207
210 HD23 LEU 23 HD23 LEU 23 -13.343 4.003 -4.915
211 H GLN 24 HN GLN 24 -16.847 2.894 -0.427
212 HA GLN 24 HA GLN 24 -19.022 3.287 0.073
213 HB2 GLN 24 HB2 GLN 24 -19.129 4.641 -2.624
214 HB3 GLN 24 HB1 GLN 24 -20.408 4.692 -1.418
215 HG2 GLN 24 HG2 GLN 24 -18.980 5.869 0.117
216 HG3 GLN 24 HG1 GLN 24 -17.610 5.707 -0.977
217 HE21 GLN 24 HE21 GLN 24 -19.242 6.250 -3.345
218 HE22 GLN 24 HE22 GLN 24 -19.544 7.952 -3.322
219 H ASP 25 HN ASP 25 -21.305 2.755 -0.735
220 HA ASP 25 HA ASP 25 -21.106 0.187 -2.152
221 HB2 ASP 25 HB2 ASP 25 -23.095 1.161 -0.091
222 HB3 ASP 25 HB1 ASP 25 -23.302 -0.326 -1.007
Start of MODEL 10
1 H1 PHE 1 HT1 PHE 1 17.956 10.004 -0.370
2 H2 PHE 1 HT2 PHE 1 19.624 9.990 -0.633
3 H3 PHE 1 HT3 PHE 1 18.958 9.074 0.620
4 HA PHE 1 HA PHE 1 18.435 8.649 -2.256
5 HB2 PHE 1 HB2 PHE 1 19.831 6.651 -2.057
6 HB3 PHE 1 HB1 PHE 1 20.764 8.072 -1.612
7 HD1 PHE 1 HD1 PHE 1 19.647 4.840 -0.623
8 HD2 PHE 1 HD2 PHE 1 21.054 8.566 0.867
9 HE1 PHE 1 HE1 PHE 1 20.251 3.763 1.500
10 HE2 PHE 1 HE2 PHE 1 21.653 7.495 2.993
11 HZ PHE 1 HZ PHE 1 21.253 5.087 3.314
12 H GLU 2 HN GLU 2 17.178 6.761 -2.685
13 HA GLU 2 HA GLU 2 15.349 6.165 -0.490
14 HB2 GLU 2 HB2 GLU 2 13.909 5.185 -2.314
15 HB3 GLU 2 HB1 GLU 2 14.211 6.910 -2.459
16 HG2 GLU 2 HG2 GLU 2 15.936 6.458 -4.134
17 HG3 GLU 2 HG1 GLU 2 15.598 4.732 -4.002
18 H THR 3 HN THR 3 15.451 4.308 0.567
19 HA THR 3 HA THR 3 17.416 2.360 -0.164
20 HB THR 3 HB THR 3 16.498 1.149 1.874
21 HG1 THR 3 HG1 THR 3 14.421 2.362 1.718
22 HG21 THR 3 HG21 THR 3 17.508 3.974 2.142
23 HG22 THR 3 HG22 THR 3 18.478 2.508 2.018
24 HG23 THR 3 HG23 THR 3 17.484 2.788 3.445
25 H LEU 4 HN LEU 4 16.870 1.244 -1.981
26 HA LEU 4 HA LEU 4 14.252 0.157 -2.384
27 HB2 LEU 4 HB2 LEU 4 15.618 0.727 -4.302
28 HB3 LEU 4 HB1 LEU 4 16.864 -0.392 -3.787
29 HG LEU 4 HG LEU 4 15.266 -2.266 -4.128
30 HD11 LEU 4 HD11 LEU 4 13.512 -0.120 -5.305
31 HD12 LEU 4 HD12 LEU 4 13.188 -1.040 -3.836
32 HD13 LEU 4 HD13 LEU 4 13.221 -1.856 -5.400
33 HD21 LEU 4 HD21 LEU 4 16.874 -1.658 -5.859
34 HD22 LEU 4 HD22 LEU 4 15.720 -0.506 -6.532
35 HD23 LEU 4 HD23 LEU 4 15.364 -2.233 -6.566
36 H ARG 5 HN ARG 5 13.902 -0.972 -0.515
37 HA ARG 5 HA ARG 5 15.536 -3.350 -0.006
38 HB2 ARG 5 HB2 ARG 5 13.465 -1.898 1.627
39 HB3 ARG 5 HB1 ARG 5 14.108 -3.465 2.087
40 HG2 ARG 5 HG2 ARG 5 16.288 -2.586 2.374
41 HG3 ARG 5 HG1 ARG 5 15.837 -1.055 1.621
42 HD2 ARG 5 HD2 ARG 5 15.986 -1.135 4.175
43 HD3 ARG 5 HD1 ARG 5 14.558 -0.391 3.457
44 HE ARG 5 HE ARG 5 13.604 -2.806 3.819
45 HH11 ARG 5 HH11 ARG 5 15.729 -1.028 5.968
46 HH12 ARG 5 HH12 ARG 5 15.080 -1.749 7.405
47 HH21 ARG 5 HH21 ARG 5 12.750 -3.739 5.692
48 HH22 ARG 5 HH22 ARG 5 13.387 -3.308 7.246
49 H GLY 6 HN GLY 6 12.544 -2.373 -1.338
50 HA2 GLY 6 HA2 GLY 6 11.131 -3.856 -2.551
51 HA3 GLY 6 HA1 GLY 6 11.715 -5.180 -1.553
52 H ASP 7 HN ASP 7 11.394 -3.470 0.870
53 HA ASP 7 HA ASP 7 8.903 -4.398 1.701
54 HB2 ASP 7 HB2 ASP 7 10.524 -2.132 2.872
55 HB3 ASP 7 HB1 ASP 7 9.179 -2.936 3.667
56 H GLU 8 HN GLU 8 9.848 -1.366 0.249
57 HA GLU 8 HA GLU 8 7.536 0.107 0.889
58 HB2 GLU 8 HB2 GLU 8 9.620 1.162 0.150
59 HB3 GLU 8 HB1 GLU 8 9.435 0.434 -1.437
60 HG2 GLU 8 HG2 GLU 8 7.484 1.747 -1.874
61 HG3 GLU 8 HG1 GLU 8 7.490 2.379 -0.229
62 H ARG 9 HN ARG 9 8.224 -2.252 -1.581
63 HA ARG 9 HA ARG 9 5.975 -1.724 -3.226
64 HB2 ARG 9 HB2 ARG 9 7.665 -4.174 -2.794
65 HB3 ARG 9 HB1 ARG 9 6.270 -4.193 -3.861
66 HG2 ARG 9 HG2 ARG 9 8.591 -2.307 -4.145
67 HG3 ARG 9 HG1 ARG 9 8.423 -3.826 -5.023
68 HD2 ARG 9 HD2 ARG 9 6.551 -1.464 -5.145
69 HD3 ARG 9 HD1 ARG 9 7.689 -1.961 -6.395
70 HE ARG 9 HE ARG 9 6.168 -4.164 -6.081
71 HH11 ARG 9 HH11 ARG 9 5.371 -0.792 -6.564
72 HH12 ARG 9 HH12 ARG 9 3.899 -1.131 -7.421
73 HH21 ARG 9 HH21 ARG 9 4.227 -4.618 -7.215
74 HH22 ARG 9 HH22 ARG 9 3.251 -3.302 -7.786
75 H ILE 10 HN ILE 10 6.491 -3.758 -0.406
76 HA ILE 10 HA ILE 10 3.919 -4.923 -0.345
77 HB ILE 10 HB ILE 10 5.823 -4.365 1.941
78 HG12 ILE 10 HG12 ILE 10 5.287 -6.919 0.404
79 HG13 ILE 10 HG11 ILE 10 6.693 -5.886 0.179
80 HG21 ILE 10 HG21 ILE 10 3.374 -6.129 1.870
81 HG22 ILE 10 HG22 ILE 10 3.560 -4.632 2.784
82 HG23 ILE 10 HG23 ILE 10 4.535 -6.044 3.195
83 HD11 ILE 10 HD11 ILE 10 5.972 -7.378 2.689
84 HD12 ILE 10 HD12 ILE 10 7.370 -6.323 2.490
85 HD13 ILE 10 HD13 ILE 10 7.241 -7.805 1.543
86 H LEU 11 HN LEU 11 5.283 -2.009 1.076
87 HA LEU 11 HA LEU 11 3.014 -1.137 2.481
88 HB2 LEU 11 HB2 LEU 11 5.403 -0.276 2.638
89 HB3 LEU 11 HB1 LEU 11 5.085 0.636 1.181
90 HG LEU 11 HG LEU 11 3.462 0.998 3.700
91 HD11 LEU 11 HD11 LEU 11 5.908 2.513 2.798
92 HD12 LEU 11 HD12 LEU 11 5.800 1.454 4.203
93 HD13 LEU 11 HD13 LEU 11 4.868 2.951 4.153
94 HD21 LEU 11 HD21 LEU 11 2.422 1.844 1.661
95 HD22 LEU 11 HD22 LEU 11 3.889 2.743 1.272
96 HD23 LEU 11 HD23 LEU 11 2.940 3.176 2.695
97 H SER 12 HN SER 12 4.150 -0.360 -0.809
98 HA SER 12 HA SER 12 2.046 1.466 -1.305
99 HB2 SER 12 HB2 SER 12 2.830 1.266 -3.704
100 HB3 SER 12 HB1 SER 12 4.044 1.773 -2.531
101 HG SER 12 HG SER 12 5.025 -0.143 -2.669
102 H ILE 13 HN ILE 13 2.477 -1.964 -2.099
103 HA ILE 13 HA ILE 13 0.142 -2.140 -3.684
104 HB ILE 13 HB ILE 13 1.632 -4.284 -2.170
105 HG12 ILE 13 HG12 ILE 13 1.476 -3.617 -5.119
106 HG13 ILE 13 HG11 ILE 13 2.831 -3.237 -4.062
107 HG21 ILE 13 HG21 ILE 13 -0.665 -4.571 -4.104
108 HG22 ILE 13 HG22 ILE 13 -0.671 -4.992 -2.392
109 HG23 ILE 13 HG23 ILE 13 0.335 -5.901 -3.519
110 HD11 ILE 13 HD11 ILE 13 3.289 -5.192 -5.421
111 HD12 ILE 13 HD12 ILE 13 1.863 -5.996 -4.767
112 HD13 ILE 13 HD13 ILE 13 3.224 -5.618 -3.712
113 H LEU 14 HN LEU 14 0.743 -2.805 -0.246
114 HA LEU 14 HA LEU 14 -1.914 -3.511 0.379
115 HB2 LEU 14 HB2 LEU 14 0.027 -3.977 1.840
116 HB3 LEU 14 HB1 LEU 14 0.178 -2.263 2.167
117 HG LEU 14 HG LEU 14 -2.005 -2.269 3.282
118 HD11 LEU 14 HD11 LEU 14 -3.084 -4.046 2.020
119 HD12 LEU 14 HD12 LEU 14 -3.143 -4.383 3.749
120 HD13 LEU 14 HD13 LEU 14 -1.985 -5.231 2.725
121 HD21 LEU 14 HD21 LEU 14 -0.004 -2.672 4.603
122 HD22 LEU 14 HD22 LEU 14 -0.122 -4.402 4.283
123 HD23 LEU 14 HD23 LEU 14 -1.364 -3.595 5.239
124 H ARG 15 HN ARG 15 -0.203 -0.438 0.265
125 HA ARG 15 HA ARG 15 -2.248 1.199 1.261
126 HB2 ARG 15 HB2 ARG 15 0.099 1.918 0.907
127 HB3 ARG 15 HB1 ARG 15 -0.180 1.891 -0.828
128 HG2 ARG 15 HG2 ARG 15 -1.874 3.627 -0.589
129 HG3 ARG 15 HG1 ARG 15 -1.597 3.655 1.154
130 HD2 ARG 15 HD2 ARG 15 0.795 4.214 0.676
131 HD3 ARG 15 HD1 ARG 15 0.350 4.385 -1.021
132 HE ARG 15 HE ARG 15 -1.240 5.989 0.774
133 HH11 ARG 15 HH11 ARG 15 1.661 5.827 -1.177
134 HH12 ARG 15 HH12 ARG 15 1.864 7.549 -1.246
135 HH21 ARG 15 HH21 ARG 15 -0.971 8.252 0.705
136 HH22 ARG 15 HH22 ARG 15 0.368 8.932 -0.168
137 H HIS 16 HN HIS 16 -1.590 -0.044 -1.961
138 HA HIS 16 HA HIS 16 -3.648 1.405 -3.281
139 HB2 HIS 16 HB2 HIS 16 -2.213 -1.151 -3.999
140 HB3 HIS 16 HB1 HIS 16 -3.448 -0.437 -5.023
141 HD1 HIS 16 HD1 HIS 16 -1.044 -0.612 -6.515
142 HD2 HIS 16 HD2 HIS 16 -1.534 2.487 -3.785
143 HE1 HIS 16 HE1 HIS 16 0.577 1.177 -7.225
144 HE2 HIS 16 HE2 HIS 16 0.117 3.114 -5.675
145 H GLN 17 HN GLN 17 -3.521 -1.708 -1.659
146 HA GLN 17 HA GLN 17 -6.140 -2.527 -2.403
147 HB2 GLN 17 HB2 GLN 17 -4.463 -3.418 -0.046
148 HB3 GLN 17 HB1 GLN 17 -5.905 -4.227 -0.638
149 HG2 GLN 17 HG2 GLN 17 -3.256 -3.955 -2.043
150 HG3 GLN 17 HG1 GLN 17 -4.005 -5.426 -1.426
151 HE21 GLN 17 HE21 GLN 17 -3.101 -4.641 -4.139
152 HE22 GLN 17 HE22 GLN 17 -4.474 -4.875 -5.162
153 H ASN 18 HN ASN 18 -4.805 -0.624 0.206
154 HA ASN 18 HA ASN 18 -7.097 -0.425 1.816
155 HB2 ASN 18 HB2 ASN 18 -4.963 0.388 2.636
156 HB3 ASN 18 HB1 ASN 18 -4.872 1.570 1.334
157 HD21 ASN 18 HD21 ASN 18 -4.789 3.384 2.603
158 HD22 ASN 18 HD22 ASN 18 -6.097 3.897 3.604
159 H LEU 19 HN LEU 19 -6.019 1.437 -0.979
160 HA LEU 19 HA LEU 19 -8.190 3.280 -0.926
161 HB2 LEU 19 HB2 LEU 19 -6.326 2.542 -3.184
162 HB3 LEU 19 HB1 LEU 19 -7.406 3.924 -3.174
163 HG LEU 19 HG LEU 19 -5.060 3.496 -1.319
164 HD11 LEU 19 HD11 LEU 19 -4.100 5.422 -2.506
165 HD12 LEU 19 HD12 LEU 19 -5.471 5.405 -3.616
166 HD13 LEU 19 HD13 LEU 19 -4.356 4.039 -3.571
167 HD21 LEU 19 HD21 LEU 19 -5.516 5.783 -0.559
168 HD22 LEU 19 HD22 LEU 19 -6.849 4.692 -0.189
169 HD23 LEU 19 HD23 LEU 19 -6.978 5.813 -1.545
170 H LEU 20 HN LEU 20 -7.705 0.119 -2.285
171 HA LEU 20 HA LEU 20 -9.991 0.206 -4.012
172 HB2 LEU 20 HB2 LEU 20 -8.377 -2.113 -2.957
173 HB3 LEU 20 HB1 LEU 20 -9.681 -2.272 -4.117
174 HG LEU 20 HG LEU 20 -7.103 -0.766 -4.552
175 HD11 LEU 20 HD11 LEU 20 -6.819 -3.185 -4.537
176 HD12 LEU 20 HD12 LEU 20 -6.610 -2.526 -6.157
177 HD13 LEU 20 HD13 LEU 20 -8.109 -3.348 -5.729
178 HD21 LEU 20 HD21 LEU 20 -8.924 0.300 -5.744
179 HD22 LEU 20 HD22 LEU 20 -9.435 -1.255 -6.401
180 HD23 LEU 20 HD23 LEU 20 -7.886 -0.563 -6.877
181 H LYS 21 HN LYS 21 -9.391 -0.547 -0.688
182 HA LYS 21 HA LYS 21 -11.923 -1.865 -0.290
183 HB2 LYS 21 HB2 LYS 21 -9.943 -2.456 1.075
184 HB3 LYS 21 HB1 LYS 21 -9.948 -0.835 1.755
185 HG2 LYS 21 HG2 LYS 21 -12.171 -1.249 2.702
186 HG3 LYS 21 HG1 LYS 21 -12.128 -2.887 2.052
187 HD2 LYS 21 HD2 LYS 21 -10.143 -3.364 3.407
188 HD3 LYS 21 HD1 LYS 21 -10.207 -1.728 4.066
189 HE2 LYS 21 HE2 LYS 21 -12.405 -2.192 5.022
190 HE3 LYS 21 HE1 LYS 21 -12.364 -3.820 4.348
191 HZ1 LYS 21 HZ1 LYS 21 -10.455 -2.747 6.351
192 HZ2 LYS 21 HZ2 LYS 21 -10.464 -4.320 5.733
193 HZ3 LYS 21 HZ3 LYS 21 -11.750 -3.781 6.690
194 H GLU 22 HN GLU 22 -13.147 -0.078 -1.246
195 HA GLU 22 HA GLU 22 -13.486 2.265 0.423
196 HB2 GLU 22 HB2 GLU 22 -13.670 2.344 -2.081
197 HB3 GLU 22 HB1 GLU 22 -15.134 1.381 -1.957
198 HG2 GLU 22 HG2 GLU 22 -15.526 3.816 -2.239
199 HG3 GLU 22 HG1 GLU 22 -16.276 3.121 -0.801
200 H LEU 23 HN LEU 23 -13.844 0.497 2.139
201 HA LEU 23 HA LEU 23 -16.724 -0.063 2.365
202 HB2 LEU 23 HB2 LEU 23 -14.462 -1.875 3.212
203 HB3 LEU 23 HB1 LEU 23 -16.168 -2.188 3.460
204 HG LEU 23 HG LEU 23 -14.850 -1.963 0.751
205 HD11 LEU 23 HD11 LEU 23 -15.712 -4.417 2.275
206 HD12 LEU 23 HD12 LEU 23 -14.047 -3.918 1.986
207 HD13 LEU 23 HD13 LEU 23 -15.076 -4.382 0.632
208 HD21 LEU 23 HD21 LEU 23 -16.943 -2.910 -0.075
209 HD22 LEU 23 HD22 LEU 23 -17.220 -1.374 0.744
210 HD23 LEU 23 HD23 LEU 23 -17.606 -2.891 1.559
211 H GLN 24 HN GLN 24 -17.170 1.576 3.770
212 HA GLN 24 HA GLN 24 -16.020 1.269 6.448
213 HB2 GLN 24 HB2 GLN 24 -15.892 3.686 6.736
214 HB3 GLN 24 HB1 GLN 24 -14.900 3.182 5.377
215 HG2 GLN 24 HG2 GLN 24 -16.652 3.899 3.833
216 HG3 GLN 24 HG1 GLN 24 -17.641 4.414 5.200
217 HE21 GLN 24 HE21 GLN 24 -16.986 6.209 6.417
218 HE22 GLN 24 HE22 GLN 24 -15.883 7.376 5.774
219 H ASP 25 HN ASP 25 -17.434 2.064 8.151
220 HA ASP 25 HA ASP 25 -20.248 2.095 7.287
221 HB2 ASP 25 HB2 ASP 25 -19.073 0.821 9.768
222 HB3 ASP 25 HB1 ASP 25 -20.795 0.970 9.440
Start of MODEL 11
1 H1 PHE 1 HT1 PHE 1 14.345 9.938 0.609
2 H2 PHE 1 HT2 PHE 1 14.781 10.486 2.147
3 H3 PHE 1 HT3 PHE 1 13.206 9.948 1.859
4 HA PHE 1 HA PHE 1 15.645 8.278 1.743
5 HB2 PHE 1 HB2 PHE 1 14.922 9.030 4.037
6 HB3 PHE 1 HB1 PHE 1 13.383 8.227 3.756
7 HD1 PHE 1 HD1 PHE 1 13.120 5.994 4.318
8 HD2 PHE 1 HD2 PHE 1 17.038 7.592 3.882
9 HE1 PHE 1 HE1 PHE 1 14.068 3.900 5.190
10 HE2 PHE 1 HE2 PHE 1 17.992 5.499 4.744
11 HZ PHE 1 HZ PHE 1 16.508 3.646 5.402
12 H GLU 2 HN GLU 2 14.921 7.614 -0.373
13 HA GLU 2 HA GLU 2 12.470 5.985 -0.326
14 HB2 GLU 2 HB2 GLU 2 13.945 7.077 -2.731
15 HB3 GLU 2 HB1 GLU 2 12.414 6.216 -2.760
16 HG2 GLU 2 HG2 GLU 2 11.432 8.078 -1.419
17 HG3 GLU 2 HG1 GLU 2 12.953 8.946 -1.617
18 H THR 3 HN THR 3 13.649 4.295 0.718
19 HA THR 3 HA THR 3 15.790 3.045 -0.825
20 HB THR 3 HB THR 3 16.016 1.604 1.241
21 HG1 THR 3 HG1 THR 3 13.769 2.257 1.918
22 HG21 THR 3 HG21 THR 3 17.479 3.516 0.838
23 HG22 THR 3 HG22 THR 3 17.115 3.352 2.556
24 HG23 THR 3 HG23 THR 3 16.301 4.587 1.597
25 H LEU 4 HN LEU 4 14.885 1.833 -2.422
26 HA LEU 4 HA LEU 4 12.532 0.238 -1.899
27 HB2 LEU 4 HB2 LEU 4 12.856 1.320 -4.084
28 HB3 LEU 4 HB1 LEU 4 14.298 0.359 -4.343
29 HG LEU 4 HG LEU 4 12.904 -1.690 -4.314
30 HD11 LEU 4 HD11 LEU 4 10.629 0.276 -4.139
31 HD12 LEU 4 HD12 LEU 4 11.077 -0.936 -2.938
32 HD13 LEU 4 HD13 LEU 4 10.460 -1.439 -4.511
33 HD21 LEU 4 HD21 LEU 4 11.858 -1.333 -6.496
34 HD22 LEU 4 HD22 LEU 4 13.471 -0.626 -6.430
35 HD23 LEU 4 HD23 LEU 4 12.049 0.409 -6.302
36 H ARG 5 HN ARG 5 13.538 -0.939 -0.163
37 HA ARG 5 HA ARG 5 15.558 -2.904 -0.893
38 HB2 ARG 5 HB2 ARG 5 14.158 -2.501 1.752
39 HB3 ARG 5 HB1 ARG 5 15.587 -3.480 1.465
40 HG2 ARG 5 HG2 ARG 5 16.839 -1.471 0.861
41 HG3 ARG 5 HG1 ARG 5 15.404 -0.492 1.166
42 HD2 ARG 5 HD2 ARG 5 16.843 -2.195 3.195
43 HD3 ARG 5 HD1 ARG 5 16.969 -0.445 3.050
44 HE ARG 5 HE ARG 5 14.405 -1.775 3.668
45 HH11 ARG 5 HH11 ARG 5 16.814 0.692 4.316
46 HH12 ARG 5 HH12 ARG 5 15.939 1.370 5.649
47 HH21 ARG 5 HH21 ARG 5 13.256 -0.866 5.434
48 HH22 ARG 5 HH22 ARG 5 13.924 0.495 6.278
49 H GLY 6 HN GLY 6 12.174 -2.620 -0.627
50 HA2 GLY 6 HA2 GLY 6 11.267 -4.704 -1.926
51 HA3 GLY 6 HA1 GLY 6 11.781 -5.518 -0.457
52 H ASP 7 HN ASP 7 11.034 -3.902 1.525
53 HA ASP 7 HA ASP 7 8.337 -4.539 1.802
54 HB2 ASP 7 HB2 ASP 7 9.957 -2.561 3.396
55 HB3 ASP 7 HB1 ASP 7 8.384 -3.190 3.867
56 H GLU 8 HN GLU 8 9.821 -1.684 0.528
57 HA GLU 8 HA GLU 8 7.728 0.145 0.825
58 HB2 GLU 8 HB2 GLU 8 10.000 0.748 0.060
59 HB3 GLU 8 HB1 GLU 8 9.687 -0.062 -1.466
60 HG2 GLU 8 HG2 GLU 8 7.848 1.522 -1.890
61 HG3 GLU 8 HG1 GLU 8 8.260 2.358 -0.396
62 H ARG 9 HN ARG 9 8.207 -2.482 -1.432
63 HA ARG 9 HA ARG 9 6.093 -1.732 -3.207
64 HB2 ARG 9 HB2 ARG 9 7.477 -4.378 -2.757
65 HB3 ARG 9 HB1 ARG 9 6.283 -4.098 -4.015
66 HG2 ARG 9 HG2 ARG 9 8.936 -2.703 -3.751
67 HG3 ARG 9 HG1 ARG 9 8.538 -3.979 -4.901
68 HD2 ARG 9 HD2 ARG 9 7.313 -1.227 -4.763
69 HD3 ARG 9 HD1 ARG 9 8.433 -1.815 -5.988
70 HE ARG 9 HE ARG 9 6.423 -3.557 -6.233
71 HH11 ARG 9 HH11 ARG 9 6.429 -0.068 -5.991
72 HH12 ARG 9 HH12 ARG 9 4.989 0.130 -6.938
73 HH21 ARG 9 HH21 ARG 9 4.520 -3.303 -7.491
74 HH22 ARG 9 HH22 ARG 9 3.909 -1.709 -7.800
75 H ILE 10 HN ILE 10 6.383 -3.915 -0.454
76 HA ILE 10 HA ILE 10 3.729 -4.874 -0.503
77 HB ILE 10 HB ILE 10 5.576 -4.547 1.874
78 HG12 ILE 10 HG12 ILE 10 4.989 -6.978 0.169
79 HG13 ILE 10 HG11 ILE 10 6.461 -6.019 0.082
80 HG21 ILE 10 HG21 ILE 10 3.265 -4.739 2.596
81 HG22 ILE 10 HG22 ILE 10 4.144 -6.222 2.970
82 HG23 ILE 10 HG23 ILE 10 3.048 -6.170 1.589
83 HD11 ILE 10 HD11 ILE 10 5.512 -7.604 2.454
84 HD12 ILE 10 HD12 ILE 10 6.981 -6.631 2.392
85 HD13 ILE 10 HD13 ILE 10 6.815 -8.046 1.352
86 H LEU 11 HN LEU 11 5.266 -2.114 1.033
87 HA LEU 11 HA LEU 11 3.100 -1.119 2.491
88 HB2 LEU 11 HB2 LEU 11 5.576 -0.404 2.465
89 HB3 LEU 11 HB1 LEU 11 5.149 0.594 1.095
90 HG LEU 11 HG LEU 11 3.905 0.863 3.836
91 HD11 LEU 11 HD11 LEU 11 6.121 2.438 2.531
92 HD12 LEU 11 HD12 LEU 11 6.270 1.380 3.935
93 HD13 LEU 11 HD13 LEU 11 5.320 2.860 4.044
94 HD21 LEU 11 HD21 LEU 11 2.491 1.706 2.026
95 HD22 LEU 11 HD22 LEU 11 3.833 2.680 1.425
96 HD23 LEU 11 HD23 LEU 11 3.129 3.026 3.005
97 H SER 12 HN SER 12 4.171 -0.330 -0.820
98 HA SER 12 HA SER 12 2.070 1.515 -1.258
99 HB2 SER 12 HB2 SER 12 2.844 1.306 -3.681
100 HB3 SER 12 HB1 SER 12 4.028 1.868 -2.503
101 HG SER 12 HG SER 12 5.098 0.011 -2.642
102 H ILE 13 HN ILE 13 2.490 -1.901 -2.064
103 HA ILE 13 HA ILE 13 0.135 -2.090 -3.625
104 HB ILE 13 HB ILE 13 1.702 -4.209 -2.159
105 HG12 ILE 13 HG12 ILE 13 1.428 -3.553 -5.102
106 HG13 ILE 13 HG11 ILE 13 2.796 -3.101 -4.090
107 HG21 ILE 13 HG21 ILE 13 -0.577 -4.991 -2.294
108 HG22 ILE 13 HG22 ILE 13 0.400 -5.853 -3.485
109 HG23 ILE 13 HG23 ILE 13 -0.667 -4.545 -3.998
110 HD11 ILE 13 HD11 ILE 13 3.329 -5.445 -3.745
111 HD12 ILE 13 HD12 ILE 13 3.290 -5.048 -5.462
112 HD13 ILE 13 HD13 ILE 13 1.942 -5.916 -4.724
113 H LEU 14 HN LEU 14 0.778 -2.731 -0.181
114 HA LEU 14 HA LEU 14 -1.869 -3.441 0.475
115 HB2 LEU 14 HB2 LEU 14 0.026 -3.846 1.978
116 HB3 LEU 14 HB1 LEU 14 0.230 -2.119 2.198
117 HG LEU 14 HG LEU 14 -2.017 -2.019 3.250
118 HD11 LEU 14 HD11 LEU 14 -3.099 -4.099 3.943
119 HD12 LEU 14 HD12 LEU 14 -1.893 -5.024 3.050
120 HD13 LEU 14 HD13 LEU 14 -3.013 -3.972 2.186
121 HD21 LEU 14 HD21 LEU 14 -1.359 -3.072 5.353
122 HD22 LEU 14 HD22 LEU 14 -0.012 -2.200 4.621
123 HD23 LEU 14 HD23 LEU 14 -0.089 -3.960 4.512
124 H ARG 15 HN ARG 15 -0.195 -0.344 0.321
125 HA ARG 15 HA ARG 15 -2.248 1.303 1.250
126 HB2 ARG 15 HB2 ARG 15 0.019 2.119 0.896
127 HB3 ARG 15 HB1 ARG 15 -0.128 1.852 -0.834
128 HG2 ARG 15 HG2 ARG 15 -1.877 3.559 -0.944
129 HG3 ARG 15 HG1 ARG 15 -1.706 3.835 0.791
130 HD2 ARG 15 HD2 ARG 15 0.613 4.517 0.466
131 HD3 ARG 15 HD1 ARG 15 0.477 4.200 -1.262
132 HE ARG 15 HE ARG 15 -1.496 6.061 -0.409
133 HH11 ARG 15 HH11 ARG 15 1.918 5.782 -1.136
134 HH12 ARG 15 HH12 ARG 15 2.085 7.449 -1.588
135 HH21 ARG 15 HH21 ARG 15 -1.276 8.259 -1.016
136 HH22 ARG 15 HH22 ARG 15 0.274 8.852 -1.518
137 H HIS 16 HN HIS 16 -1.640 -0.054 -1.942
138 HA HIS 16 HA HIS 16 -3.761 1.374 -3.217
139 HB2 HIS 16 HB2 HIS 16 -2.228 -1.089 -4.058
140 HB3 HIS 16 HB1 HIS 16 -3.450 -0.315 -5.059
141 HD1 HIS 16 HD1 HIS 16 -0.725 -0.462 -6.252
142 HD2 HIS 16 HD2 HIS 16 -1.895 2.673 -3.786
143 HE1 HIS 16 HE1 HIS 16 0.793 1.455 -6.826
144 HE2 HIS 16 HE2 HIS 16 -0.081 3.391 -5.481
145 H GLN 17 HN GLN 17 -3.467 -1.798 -1.716
146 HA GLN 17 HA GLN 17 -6.060 -2.663 -2.534
147 HB2 GLN 17 HB2 GLN 17 -4.231 -3.704 -0.368
148 HB3 GLN 17 HB1 GLN 17 -5.726 -4.486 -0.865
149 HG2 GLN 17 HG2 GLN 17 -3.275 -4.041 -2.560
150 HG3 GLN 17 HG1 GLN 17 -3.856 -5.575 -1.916
151 HE21 GLN 17 HE21 GLN 17 -3.376 -4.659 -4.686
152 HE22 GLN 17 HE22 GLN 17 -4.866 -4.930 -5.524
153 H ASN 18 HN ASN 18 -4.801 -0.904 0.205
154 HA ASN 18 HA ASN 18 -7.144 -1.011 1.794
155 HB2 ASN 18 HB2 ASN 18 -5.030 -0.273 2.760
156 HB3 ASN 18 HB1 ASN 18 -4.976 1.098 1.657
157 HD21 ASN 18 HD21 ASN 18 -4.954 2.657 3.251
158 HD22 ASN 18 HD22 ASN 18 -6.312 2.971 4.270
159 H LEU 19 HN LEU 19 -6.048 1.152 -0.758
160 HA LEU 19 HA LEU 19 -8.313 2.894 -0.534
161 HB2 LEU 19 HB2 LEU 19 -6.270 2.630 -2.737
162 HB3 LEU 19 HB1 LEU 19 -7.438 3.928 -2.586
163 HG LEU 19 HG LEU 19 -5.179 3.345 -0.668
164 HD11 LEU 19 HD11 LEU 19 -5.592 5.582 -2.646
165 HD12 LEU 19 HD12 LEU 19 -4.404 4.284 -2.764
166 HD13 LEU 19 HD13 LEU 19 -4.279 5.478 -1.473
167 HD21 LEU 19 HD21 LEU 19 -7.093 4.230 0.526
168 HD22 LEU 19 HD22 LEU 19 -7.254 5.534 -0.650
169 HD23 LEU 19 HD23 LEU 19 -5.839 5.463 0.398
170 H LEU 20 HN LEU 20 -7.490 0.060 -2.401
171 HA LEU 20 HA LEU 20 -9.646 0.246 -4.242
172 HB2 LEU 20 HB2 LEU 20 -7.666 -1.177 -4.624
173 HB3 LEU 20 HB1 LEU 20 -8.153 -2.197 -3.284
174 HG LEU 20 HG LEU 20 -10.252 -2.735 -4.528
175 HD11 LEU 20 HD11 LEU 20 -10.304 -2.268 -6.940
176 HD12 LEU 20 HD12 LEU 20 -8.861 -1.269 -6.766
177 HD13 LEU 20 HD13 LEU 20 -10.362 -0.795 -5.973
178 HD21 LEU 20 HD21 LEU 20 -8.357 -4.254 -4.546
179 HD22 LEU 20 HD22 LEU 20 -7.659 -3.390 -5.916
180 HD23 LEU 20 HD23 LEU 20 -9.180 -4.264 -6.106
181 H LYS 21 HN LYS 21 -9.193 -1.372 -1.137
182 HA LYS 21 HA LYS 21 -11.625 -2.703 -0.954
183 HB2 LYS 21 HB2 LYS 21 -9.793 -3.037 0.639
184 HB3 LYS 21 HB1 LYS 21 -10.014 -1.403 1.247
185 HG2 LYS 21 HG2 LYS 21 -12.221 -1.984 2.076
186 HG3 LYS 21 HG1 LYS 21 -12.047 -3.615 1.426
187 HD2 LYS 21 HD2 LYS 21 -11.582 -3.625 3.798
188 HD3 LYS 21 HD1 LYS 21 -10.103 -3.966 2.900
189 HE2 LYS 21 HE2 LYS 21 -9.443 -1.595 3.156
190 HE3 LYS 21 HE1 LYS 21 -10.890 -1.321 4.124
191 HZ1 LYS 21 HZ1 LYS 21 -8.679 -3.185 4.797
192 HZ2 LYS 21 HZ2 LYS 21 -10.071 -2.944 5.724
193 HZ3 LYS 21 HZ3 LYS 21 -8.963 -1.682 5.521
194 H GLU 22 HN GLU 22 -13.664 -2.078 -0.616
195 HA GLU 22 HA GLU 22 -14.132 0.740 0.080
196 HB2 GLU 22 HB2 GLU 22 -14.994 -0.072 -2.135
197 HB3 GLU 22 HB1 GLU 22 -16.048 -1.175 -1.262
198 HG2 GLU 22 HG2 GLU 22 -17.221 0.659 -0.252
199 HG3 GLU 22 HG1 GLU 22 -16.088 1.816 -0.950
200 H LEU 23 HN LEU 23 -15.303 1.211 1.870
201 HA LEU 23 HA LEU 23 -15.727 -0.983 3.726
202 HB2 LEU 23 HB2 LEU 23 -16.038 1.995 4.130
203 HB3 LEU 23 HB1 LEU 23 -16.073 0.777 5.391
204 HG LEU 23 HG LEU 23 -13.676 1.417 3.671
205 HD11 LEU 23 HD11 LEU 23 -14.205 3.255 5.165
206 HD12 LEU 23 HD12 LEU 23 -12.756 2.412 5.714
207 HD13 LEU 23 HD13 LEU 23 -14.297 2.142 6.530
208 HD21 LEU 23 HD21 LEU 23 -12.457 0.030 5.291
209 HD22 LEU 23 HD22 LEU 23 -13.677 -0.895 4.415
210 HD23 LEU 23 HD23 LEU 23 -13.983 -0.381 6.075
211 H GLN 24 HN GLN 24 -17.559 -1.976 2.835
212 HA GLN 24 HA GLN 24 -19.948 -0.333 2.508
213 HB2 GLN 24 HB2 GLN 24 -19.524 -3.251 1.849
214 HB3 GLN 24 HB1 GLN 24 -20.949 -2.302 1.451
215 HG2 GLN 24 HG2 GLN 24 -19.425 -0.802 0.116
216 HG3 GLN 24 HG1 GLN 24 -18.173 -2.021 0.341
217 HE21 GLN 24 HE21 GLN 24 -19.359 -1.100 -2.105
218 HE22 GLN 24 HE22 GLN 24 -20.075 -2.489 -2.860
219 H ASP 25 HN ASP 25 -21.875 -0.726 3.594
220 HA ASP 25 HA ASP 25 -21.623 -2.409 6.000
221 HB2 ASP 25 HB2 ASP 25 -23.184 0.173 5.708
222 HB3 ASP 25 HB1 ASP 25 -23.128 -0.832 7.147
Start of MODEL 12
1 H1 PHE 1 HT1 PHE 1 20.620 8.286 -1.598
2 H2 PHE 1 HT2 PHE 1 19.291 7.274 -1.861
3 H3 PHE 1 HT3 PHE 1 20.826 6.800 -2.376
4 HA PHE 1 HA PHE 1 21.604 6.643 -0.141
5 HB2 PHE 1 HB2 PHE 1 19.833 6.799 1.697
6 HB3 PHE 1 HB1 PHE 1 20.386 8.319 1.008
7 HD1 PHE 1 HD1 PHE 1 17.627 5.832 0.818
8 HD2 PHE 1 HD2 PHE 1 18.869 9.844 0.158
9 HE1 PHE 1 HE1 PHE 1 15.298 6.475 0.366
10 HE2 PHE 1 HE2 PHE 1 16.544 10.494 -0.300
11 HZ PHE 1 HZ PHE 1 14.752 8.809 -0.196
12 H GLU 2 HN GLU 2 21.514 4.658 0.897
13 HA GLU 2 HA GLU 2 20.059 2.625 -0.554
14 HB2 GLU 2 HB2 GLU 2 22.027 2.437 1.734
15 HB3 GLU 2 HB1 GLU 2 21.345 1.054 0.894
16 HG2 GLU 2 HG2 GLU 2 23.108 3.181 -0.302
17 HG3 GLU 2 HG1 GLU 2 23.567 1.522 0.083
18 H THR 3 HN THR 3 18.155 1.866 0.024
19 HA THR 3 HA THR 3 17.398 1.782 2.843
20 HB THR 3 HB THR 3 15.060 2.591 2.042
21 HG1 THR 3 HG1 THR 3 16.616 3.035 -0.162
22 HG21 THR 3 HG21 THR 3 17.386 4.482 2.373
23 HG22 THR 3 HG22 THR 3 16.369 3.822 3.654
24 HG23 THR 3 HG23 THR 3 15.690 4.948 2.481
25 H LEU 4 HN LEU 4 15.862 0.171 3.322
26 HA LEU 4 HA LEU 4 15.808 -1.979 1.402
27 HB2 LEU 4 HB2 LEU 4 16.192 -2.397 3.801
28 HB3 LEU 4 HB1 LEU 4 14.582 -1.803 4.153
29 HG LEU 4 HG LEU 4 13.611 -3.673 2.885
30 HD11 LEU 4 HD11 LEU 4 15.409 -4.010 1.278
31 HD12 LEU 4 HD12 LEU 4 15.045 -5.509 2.132
32 HD13 LEU 4 HD13 LEU 4 16.472 -4.570 2.567
33 HD21 LEU 4 HD21 LEU 4 15.618 -4.555 4.953
34 HD22 LEU 4 HD22 LEU 4 14.177 -5.441 4.452
35 HD23 LEU 4 HD23 LEU 4 14.017 -3.897 5.290
36 H ARG 5 HN ARG 5 14.585 -1.050 -0.223
37 HA ARG 5 HA ARG 5 11.883 -0.162 0.315
38 HB2 ARG 5 HB2 ARG 5 13.382 -0.405 -2.293
39 HB3 ARG 5 HB1 ARG 5 11.842 0.412 -2.066
40 HG2 ARG 5 HG2 ARG 5 12.888 2.035 -0.602
41 HG3 ARG 5 HG1 ARG 5 14.429 1.190 -0.741
42 HD2 ARG 5 HD2 ARG 5 14.441 1.647 -3.156
43 HD3 ARG 5 HD1 ARG 5 12.924 2.528 -2.982
44 HE ARG 5 HE ARG 5 14.832 3.591 -1.201
45 HH11 ARG 5 HH11 ARG 5 14.135 3.448 -4.633
46 HH12 ARG 5 HH12 ARG 5 14.923 4.954 -4.984
47 HH21 ARG 5 HH21 ARG 5 15.858 5.568 -1.662
48 HH22 ARG 5 HH22 ARG 5 15.897 6.166 -3.288
49 H GLY 6 HN GLY 6 13.168 -3.110 0.064
50 HA2 GLY 6 HA2 GLY 6 11.527 -4.506 -1.734
51 HA3 GLY 6 HA1 GLY 6 12.273 -5.198 -0.302
52 H ASP 7 HN ASP 7 11.053 -3.810 1.717
53 HA ASP 7 HA ASP 7 8.440 -4.985 1.698
54 HB2 ASP 7 HB2 ASP 7 9.840 -3.322 3.794
55 HB3 ASP 7 HB1 ASP 7 8.251 -4.049 4.009
56 H GLU 8 HN GLU 8 9.761 -1.903 1.006
57 HA GLU 8 HA GLU 8 7.528 -0.262 1.425
58 HB2 GLU 8 HB2 GLU 8 9.737 0.655 0.943
59 HB3 GLU 8 HB1 GLU 8 9.708 -0.064 -0.661
60 HG2 GLU 8 HG2 GLU 8 7.714 1.350 -1.163
61 HG3 GLU 8 HG1 GLU 8 7.979 2.162 0.378
62 H ARG 9 HN ARG 9 8.448 -2.397 -1.202
63 HA ARG 9 HA ARG 9 6.463 -1.731 -3.063
64 HB2 ARG 9 HB2 ARG 9 7.969 -4.268 -2.488
65 HB3 ARG 9 HB1 ARG 9 6.736 -4.211 -3.738
66 HG2 ARG 9 HG2 ARG 9 9.123 -2.382 -3.652
67 HG3 ARG 9 HG1 ARG 9 9.058 -3.891 -4.564
68 HD2 ARG 9 HD2 ARG 9 7.263 -1.494 -4.923
69 HD3 ARG 9 HD1 ARG 9 8.543 -2.016 -6.016
70 HE ARG 9 HE ARG 9 7.117 -4.147 -6.186
71 HH11 ARG 9 HH11 ARG 9 5.813 -0.930 -5.727
72 HH12 ARG 9 HH12 ARG 9 4.304 -1.298 -6.499
73 HH21 ARG 9 HH21 ARG 9 5.149 -4.632 -7.203
74 HH22 ARG 9 HH22 ARG 9 3.930 -3.404 -7.354
75 H ILE 10 HN ILE 10 6.418 -3.828 -0.264
76 HA ILE 10 HA ILE 10 3.800 -4.855 -0.696
77 HB ILE 10 HB ILE 10 5.401 -4.641 1.865
78 HG12 ILE 10 HG12 ILE 10 4.914 -7.007 0.039
79 HG13 ILE 10 HG11 ILE 10 6.403 -6.072 0.092
80 HG21 ILE 10 HG21 ILE 10 3.015 -4.801 2.343
81 HG22 ILE 10 HG22 ILE 10 3.841 -6.298 2.776
82 HG23 ILE 10 HG23 ILE 10 2.888 -6.215 1.295
83 HD11 ILE 10 HD11 ILE 10 6.655 -8.115 1.336
84 HD12 ILE 10 HD12 ILE 10 5.248 -7.723 2.324
85 HD13 ILE 10 HD13 ILE 10 6.707 -6.738 2.438
86 H LEU 11 HN LEU 11 5.134 -2.179 1.189
87 HA LEU 11 HA LEU 11 2.791 -1.314 2.427
88 HB2 LEU 11 HB2 LEU 11 5.118 -0.549 2.937
89 HB3 LEU 11 HB1 LEU 11 5.084 0.408 1.474
90 HG LEU 11 HG LEU 11 3.041 0.857 3.634
91 HD11 LEU 11 HD11 LEU 11 5.790 2.088 3.465
92 HD12 LEU 11 HD12 LEU 11 5.225 0.978 4.713
93 HD13 LEU 11 HD13 LEU 11 4.505 2.581 4.567
94 HD21 LEU 11 HD21 LEU 11 3.032 3.124 2.704
95 HD22 LEU 11 HD22 LEU 11 2.646 1.920 1.474
96 HD23 LEU 11 HD23 LEU 11 4.254 2.645 1.525
97 H SER 12 HN SER 12 4.161 -0.432 -0.737
98 HA SER 12 HA SER 12 2.187 1.524 -1.285
99 HB2 SER 12 HB2 SER 12 3.078 1.402 -3.614
100 HB3 SER 12 HB1 SER 12 4.311 1.667 -2.386
101 HG SER 12 HG SER 12 3.737 -0.682 -3.844
102 H ILE 13 HN ILE 13 2.502 -1.897 -2.158
103 HA ILE 13 HA ILE 13 0.153 -1.942 -3.763
104 HB ILE 13 HB ILE 13 1.568 -4.211 -2.350
105 HG12 ILE 13 HG12 ILE 13 1.591 -3.338 -5.249
106 HG13 ILE 13 HG11 ILE 13 2.892 -3.058 -4.098
107 HG21 ILE 13 HG21 ILE 13 -0.750 -4.809 -2.751
108 HG22 ILE 13 HG22 ILE 13 0.301 -5.691 -3.862
109 HG23 ILE 13 HG23 ILE 13 -0.613 -4.296 -4.434
110 HD11 ILE 13 HD11 ILE 13 1.919 -5.738 -5.058
111 HD12 ILE 13 HD12 ILE 13 3.207 -5.475 -3.883
112 HD13 ILE 13 HD13 ILE 13 3.406 -4.925 -5.547
113 H LEU 14 HN LEU 14 0.815 -2.673 -0.371
114 HA LEU 14 HA LEU 14 -1.794 -3.411 0.362
115 HB2 LEU 14 HB2 LEU 14 0.174 -3.807 1.769
116 HB3 LEU 14 HB1 LEU 14 0.364 -2.081 2.001
117 HG LEU 14 HG LEU 14 -1.826 -2.033 3.169
118 HD11 LEU 14 HD11 LEU 14 -1.651 -5.031 2.905
119 HD12 LEU 14 HD12 LEU 14 -2.858 -3.980 2.163
120 HD13 LEU 14 HD13 LEU 14 -2.800 -4.157 3.917
121 HD21 LEU 14 HD21 LEU 14 -1.018 -3.082 5.222
122 HD22 LEU 14 HD22 LEU 14 0.263 -2.179 4.414
123 HD23 LEU 14 HD23 LEU 14 0.219 -3.938 4.302
124 H ARG 15 HN ARG 15 -0.187 -0.272 0.153
125 HA ARG 15 HA ARG 15 -2.236 1.328 1.167
126 HB2 ARG 15 HB2 ARG 15 -0.018 2.214 0.680
127 HB3 ARG 15 HB1 ARG 15 -0.259 1.930 -1.039
128 HG2 ARG 15 HG2 ARG 15 -2.122 3.552 -1.005
129 HG3 ARG 15 HG1 ARG 15 -1.760 3.888 0.688
130 HD2 ARG 15 HD2 ARG 15 0.514 4.566 0.040
131 HD3 ARG 15 HD1 ARG 15 0.100 4.285 -1.648
132 HE ARG 15 HE ARG 15 -1.718 6.106 -0.427
133 HH11 ARG 15 HH11 ARG 15 1.488 5.843 -1.788
134 HH12 ARG 15 HH12 ARG 15 1.597 7.525 -2.199
135 HH21 ARG 15 HH21 ARG 15 -1.584 8.329 -0.955
136 HH22 ARG 15 HH22 ARG 15 -0.151 8.941 -1.715
137 H HIS 16 HN HIS 16 -1.731 -0.056 -2.018
138 HA HIS 16 HA HIS 16 -3.937 1.263 -3.247
139 HB2 HIS 16 HB2 HIS 16 -2.390 -1.209 -4.028
140 HB3 HIS 16 HB1 HIS 16 -3.690 -0.541 -5.003
141 HD1 HIS 16 HD1 HIS 16 -1.458 -0.481 -6.679
142 HD2 HIS 16 HD2 HIS 16 -1.748 2.371 -3.673
143 HE1 HIS 16 HE1 HIS 16 0.076 1.389 -7.370
144 HE2 HIS 16 HE2 HIS 16 0.029 3.003 -5.439
145 H GLN 17 HN GLN 17 -3.544 -1.683 -1.426
146 HA GLN 17 HA GLN 17 -6.151 -2.715 -1.996
147 HB2 GLN 17 HB2 GLN 17 -4.283 -3.353 0.299
148 HB3 GLN 17 HB1 GLN 17 -5.725 -4.263 -0.124
149 HG2 GLN 17 HG2 GLN 17 -3.188 -4.004 -1.718
150 HG3 GLN 17 HG1 GLN 17 -3.849 -5.451 -0.961
151 HE21 GLN 17 HE21 GLN 17 -3.136 -4.875 -3.753
152 HE22 GLN 17 HE22 GLN 17 -4.562 -5.185 -4.677
153 H ASN 18 HN ASN 18 -4.740 -0.655 0.465
154 HA ASN 18 HA ASN 18 -7.000 -0.552 2.164
155 HB2 ASN 18 HB2 ASN 18 -4.822 0.103 2.997
156 HB3 ASN 18 HB1 ASN 18 -4.702 1.378 1.793
157 HD21 ASN 18 HD21 ASN 18 -5.546 3.345 2.234
158 HD22 ASN 18 HD22 ASN 18 -6.396 3.727 3.685
159 H LEU 19 HN LEU 19 -6.065 1.228 -0.692
160 HA LEU 19 HA LEU 19 -8.262 3.081 -0.507
161 HB2 LEU 19 HB2 LEU 19 -6.367 2.441 -2.765
162 HB3 LEU 19 HB1 LEU 19 -7.570 3.714 -2.819
163 HG LEU 19 HG LEU 19 -5.266 3.597 -0.870
164 HD11 LEU 19 HD11 LEU 19 -4.353 5.456 -2.177
165 HD12 LEU 19 HD12 LEU 19 -5.669 5.280 -3.338
166 HD13 LEU 19 HD13 LEU 19 -4.489 3.985 -3.139
167 HD21 LEU 19 HD21 LEU 19 -7.321 5.737 -1.417
168 HD22 LEU 19 HD22 LEU 19 -5.917 5.916 -0.367
169 HD23 LEU 19 HD23 LEU 19 -7.186 4.766 0.049
170 H LEU 20 HN LEU 20 -7.683 -0.045 -1.894
171 HA LEU 20 HA LEU 20 -9.946 0.008 -3.664
172 HB2 LEU 20 HB2 LEU 20 -7.892 -1.346 -4.071
173 HB3 LEU 20 HB1 LEU 20 -8.319 -2.344 -2.697
174 HG LEU 20 HG LEU 20 -10.382 -3.046 -3.866
175 HD11 LEU 20 HD11 LEU 20 -10.714 -1.086 -5.268
176 HD12 LEU 20 HD12 LEU 20 -10.636 -2.549 -6.250
177 HD13 LEU 20 HD13 LEU 20 -9.247 -1.464 -6.170
178 HD21 LEU 20 HD21 LEU 20 -9.287 -4.472 -5.517
179 HD22 LEU 20 HD22 LEU 20 -8.355 -4.394 -4.022
180 HD23 LEU 20 HD23 LEU 20 -7.839 -3.469 -5.433
181 H LYS 21 HN LYS 21 -9.588 -0.299 -0.370
182 HA LYS 21 HA LYS 21 -11.688 -2.174 0.155
183 HB2 LYS 21 HB2 LYS 21 -9.835 -1.673 1.751
184 HB3 LYS 21 HB1 LYS 21 -10.507 -0.065 1.978
185 HG2 LYS 21 HG2 LYS 21 -12.570 -1.068 2.850
186 HG3 LYS 21 HG1 LYS 21 -11.851 -2.670 2.664
187 HD2 LYS 21 HD2 LYS 21 -9.991 -1.900 4.173
188 HD3 LYS 21 HD1 LYS 21 -10.942 -0.445 4.483
189 HE2 LYS 21 HE2 LYS 21 -11.310 -2.042 6.255
190 HE3 LYS 21 HE1 LYS 21 -12.787 -1.869 5.310
191 HZ1 LYS 21 HZ1 LYS 21 -12.220 -3.915 4.136
192 HZ2 LYS 21 HZ2 LYS 21 -12.340 -4.180 5.799
193 HZ3 LYS 21 HZ3 LYS 21 -10.819 -4.082 5.071
194 H GLU 22 HN GLU 22 -13.730 -1.717 -0.403
195 HA GLU 22 HA GLU 22 -14.584 1.050 -0.631
196 HB2 GLU 22 HB2 GLU 22 -16.053 -1.504 -1.314
197 HB3 GLU 22 HB1 GLU 22 -16.589 0.124 -1.707
198 HG2 GLU 22 HG2 GLU 22 -14.569 0.421 -3.088
199 HG3 GLU 22 HG1 GLU 22 -14.123 -1.250 -2.747
200 H LEU 23 HN LEU 23 -14.096 0.444 1.944
201 HA LEU 23 HA LEU 23 -16.765 0.632 3.123
202 HB2 LEU 23 HB2 LEU 23 -16.042 -1.686 3.460
203 HB3 LEU 23 HB1 LEU 23 -14.544 -1.124 4.176
204 HG LEU 23 HG LEU 23 -15.865 -0.096 6.021
205 HD11 LEU 23 HD11 LEU 23 -18.195 -0.803 6.316
206 HD12 LEU 23 HD12 LEU 23 -18.161 -1.545 4.717
207 HD13 LEU 23 HD13 LEU 23 -17.979 0.201 4.883
208 HD21 LEU 23 HD21 LEU 23 -16.282 -3.055 5.618
209 HD22 LEU 23 HD22 LEU 23 -16.359 -2.197 7.157
210 HD23 LEU 23 HD23 LEU 23 -14.835 -2.292 6.276
211 H GLN 24 HN GLN 24 -16.530 2.792 3.464
212 HA GLN 24 HA GLN 24 -14.291 3.625 5.189
213 HB2 GLN 24 HB2 GLN 24 -15.969 5.292 3.312
214 HB3 GLN 24 HB1 GLN 24 -14.680 5.903 4.335
215 HG2 GLN 24 HG2 GLN 24 -13.049 4.612 3.115
216 HG3 GLN 24 HG1 GLN 24 -14.320 3.884 2.132
217 HE21 GLN 24 HE21 GLN 24 -15.814 6.405 1.989
218 HE22 GLN 24 HE22 GLN 24 -14.959 7.390 0.856
219 H ASP 25 HN ASP 25 -15.022 5.778 6.370
220 HA ASP 25 HA ASP 25 -17.468 5.083 7.826
221 HB2 ASP 25 HB2 ASP 25 -15.219 6.950 8.624
222 HB3 ASP 25 HB1 ASP 25 -16.611 6.537 9.616
Start of MODEL 13
1 H1 PHE 1 HT1 PHE 1 20.925 6.925 -2.046
2 H2 PHE 1 HT2 PHE 1 21.550 6.595 -3.580
3 H3 PHE 1 HT3 PHE 1 22.419 7.566 -2.504
4 HA PHE 1 HA PHE 1 23.342 5.340 -2.661
5 HB2 PHE 1 HB2 PHE 1 23.486 4.902 -0.261
6 HB3 PHE 1 HB1 PHE 1 23.566 6.630 -0.558
7 HD1 PHE 1 HD1 PHE 1 21.718 3.936 1.000
8 HD2 PHE 1 HD2 PHE 1 21.657 8.073 0.016
9 HE1 PHE 1 HE1 PHE 1 19.927 4.296 2.645
10 HE2 PHE 1 HE2 PHE 1 19.859 8.438 1.651
11 HZ PHE 1 HZ PHE 1 18.992 6.550 2.971
12 H GLU 2 HN GLU 2 22.923 3.153 -1.303
13 HA GLU 2 HA GLU 2 20.797 1.855 -2.662
14 HB2 GLU 2 HB2 GLU 2 22.645 0.954 -0.456
15 HB3 GLU 2 HB1 GLU 2 21.449 -0.105 -1.187
16 HG2 GLU 2 HG2 GLU 2 23.775 1.213 -2.573
17 HG3 GLU 2 HG1 GLU 2 23.603 -0.493 -2.171
18 H THR 3 HN THR 3 18.995 3.131 -1.962
19 HA THR 3 HA THR 3 18.064 2.894 0.740
20 HB THR 3 HB THR 3 15.902 3.774 -0.248
21 HG1 THR 3 HG1 THR 3 17.210 3.164 -2.539
22 HG21 THR 3 HG21 THR 3 17.572 5.243 0.770
23 HG22 THR 3 HG22 THR 3 16.793 6.026 -0.605
24 HG23 THR 3 HG23 THR 3 18.418 5.359 -0.773
25 H LEU 4 HN LEU 4 17.092 1.175 1.603
26 HA LEU 4 HA LEU 4 16.471 -1.095 -0.052
27 HB2 LEU 4 HB2 LEU 4 17.495 -1.395 2.149
28 HB3 LEU 4 HB1 LEU 4 16.104 -0.648 2.910
29 HG LEU 4 HG LEU 4 14.694 -2.522 2.124
30 HD11 LEU 4 HD11 LEU 4 15.947 -3.187 0.164
31 HD12 LEU 4 HD12 LEU 4 15.790 -4.549 1.272
32 HD13 LEU 4 HD13 LEU 4 17.314 -3.668 1.171
33 HD21 LEU 4 HD21 LEU 4 17.119 -3.292 3.739
34 HD22 LEU 4 HD22 LEU 4 15.613 -4.206 3.661
35 HD23 LEU 4 HD23 LEU 4 15.625 -2.585 4.355
36 H ARG 5 HN ARG 5 14.785 -0.510 -1.338
37 HA ARG 5 HA ARG 5 12.257 0.188 -0.006
38 HB2 ARG 5 HB2 ARG 5 13.174 0.743 -2.824
39 HB3 ARG 5 HB1 ARG 5 11.577 1.126 -2.200
40 HG2 ARG 5 HG2 ARG 5 12.553 2.651 -0.580
41 HG3 ARG 5 HG1 ARG 5 14.170 2.244 -1.159
42 HD2 ARG 5 HD2 ARG 5 11.995 3.468 -2.846
43 HD3 ARG 5 HD1 ARG 5 13.294 4.374 -2.073
44 HE ARG 5 HE ARG 5 14.432 2.338 -3.638
45 HH11 ARG 5 HH11 ARG 5 12.609 5.298 -4.028
46 HH12 ARG 5 HH12 ARG 5 13.337 5.698 -5.552
47 HH21 ARG 5 HH21 ARG 5 15.395 2.865 -5.649
48 HH22 ARG 5 HH22 ARG 5 14.920 4.317 -6.470
49 H GLY 6 HN GLY 6 13.223 -2.480 -0.229
50 HA2 GLY 6 HA2 GLY 6 11.809 -3.807 -2.351
51 HA3 GLY 6 HA1 GLY 6 12.572 -4.579 -0.967
52 H ASP 7 HN ASP 7 11.332 -3.679 1.181
53 HA ASP 7 HA ASP 7 8.760 -4.887 1.025
54 HB2 ASP 7 HB2 ASP 7 10.213 -3.471 3.250
55 HB3 ASP 7 HB1 ASP 7 8.562 -4.048 3.441
56 H GLU 8 HN GLU 8 9.904 -1.768 0.468
57 HA GLU 8 HA GLU 8 7.704 -0.160 1.069
58 HB2 GLU 8 HB2 GLU 8 9.963 0.594 0.251
59 HB3 GLU 8 HB1 GLU 8 9.487 0.082 -1.361
60 HG2 GLU 8 HG2 GLU 8 9.135 2.395 -1.298
61 HG3 GLU 8 HG1 GLU 8 7.535 1.672 -1.140
62 H ARG 9 HN ARG 9 8.276 -2.456 -1.505
63 HA ARG 9 HA ARG 9 6.104 -1.769 -3.174
64 HB2 ARG 9 HB2 ARG 9 7.669 -4.300 -2.748
65 HB3 ARG 9 HB1 ARG 9 6.296 -4.254 -3.846
66 HG2 ARG 9 HG2 ARG 9 8.592 -2.338 -4.075
67 HG3 ARG 9 HG1 ARG 9 8.589 -3.916 -4.862
68 HD2 ARG 9 HD2 ARG 9 6.472 -1.798 -5.238
69 HD3 ARG 9 HD1 ARG 9 7.817 -2.078 -6.344
70 HE ARG 9 HE ARG 9 6.711 -4.504 -6.244
71 HH11 ARG 9 HH11 ARG 9 5.214 -1.359 -6.662
72 HH12 ARG 9 HH12 ARG 9 3.920 -1.976 -7.640
73 HH21 ARG 9 HH21 ARG 9 5.019 -5.300 -7.521
74 HH22 ARG 9 HH22 ARG 9 3.809 -4.217 -8.125
75 H ILE 10 HN ILE 10 6.402 -3.913 -0.408
76 HA ILE 10 HA ILE 10 3.779 -4.951 -0.469
77 HB ILE 10 HB ILE 10 5.688 -4.566 1.848
78 HG12 ILE 10 HG12 ILE 10 4.894 -7.066 0.339
79 HG13 ILE 10 HG11 ILE 10 6.376 -6.163 0.056
80 HG21 ILE 10 HG21 ILE 10 4.258 -6.119 3.108
81 HG22 ILE 10 HG22 ILE 10 3.085 -6.092 1.791
82 HG23 ILE 10 HG23 ILE 10 3.416 -4.622 2.708
83 HD11 ILE 10 HD11 ILE 10 6.790 -8.110 1.429
84 HD12 ILE 10 HD12 ILE 10 5.601 -7.554 2.607
85 HD13 ILE 10 HD13 ILE 10 7.084 -6.636 2.351
86 H LEU 11 HN LEU 11 5.219 -2.128 1.063
87 HA LEU 11 HA LEU 11 2.951 -1.277 2.492
88 HB2 LEU 11 HB2 LEU 11 5.361 -0.517 2.765
89 HB3 LEU 11 HB1 LEU 11 5.114 0.497 1.361
90 HG LEU 11 HG LEU 11 3.367 0.768 3.799
91 HD11 LEU 11 HD11 LEU 11 5.695 0.995 4.519
92 HD12 LEU 11 HD12 LEU 11 4.855 2.545 4.560
93 HD13 LEU 11 HD13 LEU 11 5.972 2.182 3.245
94 HD21 LEU 11 HD21 LEU 11 4.142 2.682 1.597
95 HD22 LEU 11 HD22 LEU 11 3.059 3.036 2.942
96 HD23 LEU 11 HD23 LEU 11 2.600 1.838 1.732
97 H SER 12 HN SER 12 4.164 -0.372 -0.725
98 HA SER 12 HA SER 12 2.137 1.559 -1.175
99 HB2 SER 12 HB2 SER 12 2.993 1.435 -3.560
100 HB3 SER 12 HB1 SER 12 4.182 1.852 -2.327
101 HG SER 12 HG SER 12 5.141 -0.049 -2.556
102 H ILE 13 HN ILE 13 2.516 -1.829 -2.152
103 HA ILE 13 HA ILE 13 0.158 -1.882 -3.726
104 HB ILE 13 HB ILE 13 1.632 -4.141 -2.366
105 HG12 ILE 13 HG12 ILE 13 1.510 -3.303 -5.273
106 HG13 ILE 13 HG11 ILE 13 2.836 -2.930 -4.179
107 HG21 ILE 13 HG21 ILE 13 0.327 -5.643 -3.829
108 HG22 ILE 13 HG22 ILE 13 -0.643 -4.264 -4.349
109 HG23 ILE 13 HG23 ILE 13 -0.687 -4.788 -2.666
110 HD11 ILE 13 HD11 ILE 13 1.963 -5.686 -5.000
111 HD12 ILE 13 HD12 ILE 13 3.307 -5.301 -3.927
112 HD13 ILE 13 HD13 ILE 13 3.363 -4.813 -5.621
113 H LEU 14 HN LEU 14 0.825 -2.657 -0.332
114 HA LEU 14 HA LEU 14 -1.794 -3.409 0.356
115 HB2 LEU 14 HB2 LEU 14 0.144 -3.809 1.813
116 HB3 LEU 14 HB1 LEU 14 0.303 -2.083 2.076
117 HG LEU 14 HG LEU 14 -1.920 -2.068 3.166
118 HD11 LEU 14 HD11 LEU 14 -2.922 -4.219 3.821
119 HD12 LEU 14 HD12 LEU 14 -1.738 -5.057 2.818
120 HD13 LEU 14 HD13 LEU 14 -2.920 -3.981 2.075
121 HD21 LEU 14 HD21 LEU 14 -1.209 -3.195 5.224
122 HD22 LEU 14 HD22 LEU 14 0.094 -2.243 4.513
123 HD23 LEU 14 HD23 LEU 14 0.082 -3.997 4.331
124 H ARG 15 HN ARG 15 -0.211 -0.270 0.140
125 HA ARG 15 HA ARG 15 -2.302 1.282 1.180
126 HB2 ARG 15 HB2 ARG 15 -0.034 2.151 0.730
127 HB3 ARG 15 HB1 ARG 15 -0.336 2.018 -0.996
128 HG2 ARG 15 HG2 ARG 15 -2.149 3.653 -0.798
129 HG3 ARG 15 HG1 ARG 15 -1.816 3.798 0.930
130 HD2 ARG 15 HD2 ARG 15 0.477 4.537 0.397
131 HD3 ARG 15 HD1 ARG 15 0.083 4.453 -1.320
132 HE ARG 15 HE ARG 15 -1.674 6.153 0.228
133 HH11 ARG 15 HH11 ARG 15 1.272 5.954 -1.654
134 HH12 ARG 15 HH12 ARG 15 1.321 7.652 -2.003
135 HH21 ARG 15 HH21 ARG 15 -1.612 8.405 -0.229
136 HH22 ARG 15 HH22 ARG 15 -0.310 9.044 -1.185
137 H HIS 16 HN HIS 16 -1.667 0.039 -2.051
138 HA HIS 16 HA HIS 16 -3.928 1.270 -3.274
139 HB2 HIS 16 HB2 HIS 16 -2.220 -1.083 -4.086
140 HB3 HIS 16 HB1 HIS 16 -3.575 -0.518 -5.052
141 HD1 HIS 16 HD1 HIS 16 -1.451 -0.235 -6.782
142 HD2 HIS 16 HD2 HIS 16 -1.792 2.499 -3.670
143 HE1 HIS 16 HE1 HIS 16 -0.051 1.738 -7.463
144 HE2 HIS 16 HE2 HIS 16 -0.144 3.305 -5.493
145 H GLN 17 HN GLN 17 -3.428 -1.657 -1.475
146 HA GLN 17 HA GLN 17 -5.954 -2.833 -2.134
147 HB2 GLN 17 HB2 GLN 17 -4.065 -3.391 0.164
148 HB3 GLN 17 HB1 GLN 17 -5.487 -4.347 -0.215
149 HG2 GLN 17 HG2 GLN 17 -3.011 -4.026 -1.897
150 HG3 GLN 17 HG1 GLN 17 -3.556 -5.473 -1.051
151 HE21 GLN 17 HE21 GLN 17 -3.922 -3.483 -3.844
152 HE22 GLN 17 HE22 GLN 17 -4.999 -4.526 -4.707
153 H ASN 18 HN ASN 18 -4.711 -0.774 0.431
154 HA ASN 18 HA ASN 18 -7.031 -0.864 2.058
155 HB2 ASN 18 HB2 ASN 18 -4.832 -0.115 2.909
156 HB3 ASN 18 HB1 ASN 18 -4.922 1.303 1.868
157 HD21 ASN 18 HD21 ASN 18 -4.862 2.778 3.535
158 HD22 ASN 18 HD22 ASN 18 -6.167 2.973 4.656
159 H LEU 19 HN LEU 19 -5.966 1.239 -0.546
160 HA LEU 19 HA LEU 19 -8.293 2.942 -0.381
161 HB2 LEU 19 HB2 LEU 19 -6.099 2.764 -2.446
162 HB3 LEU 19 HB1 LEU 19 -7.338 4.001 -2.404
163 HG LEU 19 HG LEU 19 -5.280 3.571 -0.236
164 HD11 LEU 19 HD11 LEU 19 -5.389 5.631 -2.436
165 HD12 LEU 19 HD12 LEU 19 -4.224 4.312 -2.303
166 HD13 LEU 19 HD13 LEU 19 -4.234 5.607 -1.105
167 HD21 LEU 19 HD21 LEU 19 -7.309 5.752 -0.703
168 HD22 LEU 19 HD22 LEU 19 -6.035 5.797 0.516
169 HD23 LEU 19 HD23 LEU 19 -7.304 4.577 0.614
170 H LEU 20 HN LEU 20 -8.434 -0.013 -1.001
171 HA LEU 20 HA LEU 20 -10.196 0.215 -3.333
172 HB2 LEU 20 HB2 LEU 20 -8.118 -0.756 -4.132
173 HB3 LEU 20 HB1 LEU 20 -8.135 -1.934 -2.836
174 HG LEU 20 HG LEU 20 -10.247 -2.869 -3.826
175 HD11 LEU 20 HD11 LEU 20 -10.935 -0.921 -5.110
176 HD12 LEU 20 HD12 LEU 20 -10.740 -2.325 -6.158
177 HD13 LEU 20 HD13 LEU 20 -9.502 -1.069 -6.125
178 HD21 LEU 20 HD21 LEU 20 -9.085 -4.089 -5.579
179 HD22 LEU 20 HD22 LEU 20 -8.055 -3.900 -4.161
180 HD23 LEU 20 HD23 LEU 20 -7.798 -2.886 -5.581
181 H LYS 21 HN LYS 21 -9.092 -1.861 -0.695
182 HA LYS 21 HA LYS 21 -11.309 -3.545 -0.540
183 HB2 LYS 21 HB2 LYS 21 -9.080 -3.884 0.539
184 HB3 LYS 21 HB1 LYS 21 -9.518 -2.675 1.731
185 HG2 LYS 21 HG2 LYS 21 -11.382 -4.070 2.461
186 HG3 LYS 21 HG1 LYS 21 -10.930 -5.289 1.270
187 HD2 LYS 21 HD2 LYS 21 -9.074 -4.332 3.440
188 HD3 LYS 21 HD1 LYS 21 -10.151 -5.711 3.637
189 HE2 LYS 21 HE2 LYS 21 -8.129 -6.686 3.018
190 HE3 LYS 21 HE1 LYS 21 -9.030 -6.630 1.507
191 HZ1 LYS 21 HZ1 LYS 21 -6.668 -5.922 1.349
192 HZ2 LYS 21 HZ2 LYS 21 -7.039 -4.579 2.301
193 HZ3 LYS 21 HZ3 LYS 21 -7.765 -4.773 0.786
194 H GLU 22 HN GLU 22 -10.641 -0.485 1.125
195 HA GLU 22 HA GLU 22 -13.491 -0.160 1.588
196 HB2 GLU 22 HB2 GLU 22 -12.637 -1.237 3.634
197 HB3 GLU 22 HB1 GLU 22 -11.454 0.050 3.813
198 HG2 GLU 22 HG2 GLU 22 -13.311 1.667 4.020
199 HG3 GLU 22 HG1 GLU 22 -14.447 0.321 3.959
200 H LEU 23 HN LEU 23 -13.750 1.663 0.421
201 HA LEU 23 HA LEU 23 -12.252 4.012 1.296
202 HB2 LEU 23 HB2 LEU 23 -11.125 3.103 -0.730
203 HB3 LEU 23 HB1 LEU 23 -12.624 3.294 -1.615
204 HG LEU 23 HG LEU 23 -12.510 5.735 -1.270
205 HD11 LEU 23 HD11 LEU 23 -11.268 5.790 0.814
206 HD12 LEU 23 HD12 LEU 23 -10.433 6.732 -0.421
207 HD13 LEU 23 HD13 LEU 23 -9.847 5.125 0.010
208 HD21 LEU 23 HD21 LEU 23 -11.596 4.769 -3.300
209 HD22 LEU 23 HD22 LEU 23 -10.046 4.507 -2.499
210 HD23 LEU 23 HD23 LEU 23 -10.624 6.149 -2.783
211 H GLN 24 HN GLN 24 -14.425 4.069 2.365
212 HA GLN 24 HA GLN 24 -16.403 5.323 0.574
213 HB2 GLN 24 HB2 GLN 24 -16.879 3.833 3.167
214 HB3 GLN 24 HB1 GLN 24 -18.123 4.621 2.210
215 HG2 GLN 24 HG2 GLN 24 -17.750 3.087 0.385
216 HG3 GLN 24 HG1 GLN 24 -16.397 2.353 1.241
217 HE21 GLN 24 HE21 GLN 24 -17.720 2.392 3.823
218 HE22 GLN 24 HE22 GLN 24 -18.929 1.160 3.769
219 H ASP 25 HN ASP 25 -16.706 7.433 0.909
220 HA ASP 25 HA ASP 25 -15.331 8.837 2.948
221 HB2 ASP 25 HB2 ASP 25 -17.490 9.740 1.032
222 HB3 ASP 25 HB1 ASP 25 -16.662 10.821 2.146
Start of MODEL 14
1 H1 PHE 1 HT1 PHE 1 18.065 11.295 -4.824
2 H2 PHE 1 HT2 PHE 1 18.330 10.355 -3.446
3 H3 PHE 1 HT3 PHE 1 16.810 11.033 -3.723
4 HA PHE 1 HA PHE 1 16.513 9.685 -5.674
5 HB2 PHE 1 HB2 PHE 1 18.112 7.888 -6.183
6 HB3 PHE 1 HB1 PHE 1 18.882 9.463 -6.302
7 HD1 PHE 1 HD1 PHE 1 18.694 6.337 -4.412
8 HD2 PHE 1 HD2 PHE 1 20.611 10.118 -4.760
9 HE1 PHE 1 HE1 PHE 1 20.472 5.569 -2.899
10 HE2 PHE 1 HE2 PHE 1 22.393 9.359 -3.248
11 HZ PHE 1 HZ PHE 1 22.327 7.080 -2.314
12 H GLU 2 HN GLU 2 15.434 7.694 -5.470
13 HA GLU 2 HA GLU 2 15.024 6.928 -2.680
14 HB2 GLU 2 HB2 GLU 2 13.056 7.557 -4.051
15 HB3 GLU 2 HB1 GLU 2 13.407 6.225 -5.142
16 HG2 GLU 2 HG2 GLU 2 11.597 5.755 -3.520
17 HG3 GLU 2 HG1 GLU 2 12.940 4.614 -3.441
18 H THR 3 HN THR 3 15.390 4.913 -1.915
19 HA THR 3 HA THR 3 17.020 3.159 -3.577
20 HB THR 3 HB THR 3 17.292 1.877 -1.415
21 HG1 THR 3 HG1 THR 3 15.297 3.371 -0.637
22 HG21 THR 3 HG21 THR 3 18.845 3.480 -0.431
23 HG22 THR 3 HG22 THR 3 18.114 4.781 -1.368
24 HG23 THR 3 HG23 THR 3 18.972 3.479 -2.189
25 H LEU 4 HN LEU 4 16.232 1.337 -4.484
26 HA LEU 4 HA LEU 4 13.483 0.599 -3.981
27 HB2 LEU 4 HB2 LEU 4 14.377 0.591 -6.271
28 HB3 LEU 4 HB1 LEU 4 15.537 -0.639 -5.813
29 HG LEU 4 HG LEU 4 13.695 -2.212 -5.384
30 HD11 LEU 4 HD11 LEU 4 11.955 -0.646 -4.762
31 HD12 LEU 4 HD12 LEU 4 11.422 -1.632 -6.121
32 HD13 LEU 4 HD13 LEU 4 11.947 0.028 -6.390
33 HD21 LEU 4 HD21 LEU 4 14.749 -2.174 -7.572
34 HD22 LEU 4 HD22 LEU 4 13.627 -0.925 -8.108
35 HD23 LEU 4 HD23 LEU 4 13.030 -2.536 -7.718
36 H ARG 5 HN ARG 5 13.555 -0.090 -1.867
37 HA ARG 5 HA ARG 5 15.422 -2.158 -1.083
38 HB2 ARG 5 HB2 ARG 5 13.271 -0.782 0.520
39 HB3 ARG 5 HB1 ARG 5 14.521 -1.838 1.164
40 HG2 ARG 5 HG2 ARG 5 16.227 -0.246 0.345
41 HG3 ARG 5 HG1 ARG 5 14.929 0.828 -0.171
42 HD2 ARG 5 HD2 ARG 5 14.139 0.953 2.155
43 HD3 ARG 5 HD1 ARG 5 15.479 -0.082 2.648
44 HE ARG 5 HE ARG 5 16.172 2.387 1.253
45 HH11 ARG 5 HH11 ARG 5 15.829 0.689 4.298
46 HH12 ARG 5 HH12 ARG 5 16.861 1.778 5.167
47 HH21 ARG 5 HH21 ARG 5 17.516 3.841 2.408
48 HH22 ARG 5 HH22 ARG 5 17.806 3.576 4.097
49 H GLY 6 HN GLY 6 12.453 -2.145 -2.545
50 HA2 GLY 6 HA2 GLY 6 11.378 -4.072 -3.307
51 HA3 GLY 6 HA1 GLY 6 12.288 -5.009 -2.136
52 H ASP 7 HN ASP 7 11.618 -4.180 0.262
53 HA ASP 7 HA ASP 7 9.021 -5.274 0.524
54 HB2 ASP 7 HB2 ASP 7 9.276 -4.984 2.909
55 HB3 ASP 7 HB1 ASP 7 10.784 -5.576 2.230
56 H GLU 8 HN GLU 8 10.104 -2.099 0.056
57 HA GLU 8 HA GLU 8 7.991 -0.622 1.176
58 HB2 GLU 8 HB2 GLU 8 10.071 0.391 0.356
59 HB3 GLU 8 HB1 GLU 8 9.645 -0.054 -1.290
60 HG2 GLU 8 HG2 GLU 8 7.659 1.406 -1.121
61 HG3 GLU 8 HG1 GLU 8 8.210 1.909 0.476
62 H ARG 9 HN ARG 9 8.272 -2.514 -1.742
63 HA ARG 9 HA ARG 9 6.033 -1.542 -3.145
64 HB2 ARG 9 HB2 ARG 9 7.462 -4.189 -3.145
65 HB3 ARG 9 HB1 ARG 9 6.052 -3.909 -4.153
66 HG2 ARG 9 HG2 ARG 9 8.439 -2.101 -4.259
67 HG3 ARG 9 HG1 ARG 9 8.350 -3.588 -5.204
68 HD2 ARG 9 HD2 ARG 9 6.412 -1.278 -5.306
69 HD3 ARG 9 HD1 ARG 9 7.615 -1.687 -6.529
70 HE ARG 9 HE ARG 9 6.126 -3.952 -6.313
71 HH11 ARG 9 HH11 ARG 9 5.397 -0.593 -6.971
72 HH12 ARG 9 HH12 ARG 9 3.950 -0.944 -7.861
73 HH21 ARG 9 HH21 ARG 9 4.227 -4.424 -7.497
74 HH22 ARG 9 HH22 ARG 9 3.279 -3.129 -8.155
75 H ILE 10 HN ILE 10 6.381 -3.979 -0.646
76 HA ILE 10 HA ILE 10 3.722 -4.945 -0.730
77 HB ILE 10 HB ILE 10 5.698 -4.920 1.565
78 HG12 ILE 10 HG12 ILE 10 4.949 -7.163 -0.323
79 HG13 ILE 10 HG11 ILE 10 6.385 -6.164 -0.504
80 HG21 ILE 10 HG21 ILE 10 3.153 -6.511 1.255
81 HG22 ILE 10 HG22 ILE 10 3.411 -5.181 2.383
82 HG23 ILE 10 HG23 ILE 10 4.324 -6.680 2.564
83 HD11 ILE 10 HD11 ILE 10 5.768 -7.976 1.817
84 HD12 ILE 10 HD12 ILE 10 7.203 -6.964 1.657
85 HD13 ILE 10 HD13 ILE 10 6.926 -8.286 0.524
86 H LEU 11 HN LEU 11 5.277 -2.253 0.834
87 HA LEU 11 HA LEU 11 3.129 -1.495 2.535
88 HB2 LEU 11 HB2 LEU 11 5.537 -0.840 2.797
89 HB3 LEU 11 HB1 LEU 11 5.365 0.205 1.408
90 HG LEU 11 HG LEU 11 3.673 0.582 3.872
91 HD11 LEU 11 HD11 LEU 11 5.324 2.260 4.587
92 HD12 LEU 11 HD12 LEU 11 6.398 1.737 3.289
93 HD13 LEU 11 HD13 LEU 11 5.985 0.625 4.595
94 HD21 LEU 11 HD21 LEU 11 4.559 2.464 1.680
95 HD22 LEU 11 HD22 LEU 11 3.540 2.886 3.057
96 HD23 LEU 11 HD23 LEU 11 2.953 1.750 1.840
97 H SER 12 HN SER 12 4.226 -0.382 -0.674
98 HA SER 12 HA SER 12 2.159 1.561 -0.914
99 HB2 SER 12 HB2 SER 12 2.924 1.650 -3.316
100 HB3 SER 12 HB1 SER 12 4.185 1.934 -2.117
101 HG SER 12 HG SER 12 5.201 0.377 -3.080
102 H ILE 13 HN ILE 13 2.548 -1.765 -2.017
103 HA ILE 13 HA ILE 13 0.163 -1.856 -3.530
104 HB ILE 13 HB ILE 13 1.794 -4.033 -2.236
105 HG12 ILE 13 HG12 ILE 13 1.357 -3.235 -5.123
106 HG13 ILE 13 HG11 ILE 13 2.779 -2.845 -4.163
107 HG21 ILE 13 HG21 ILE 13 -0.514 -4.800 -2.301
108 HG22 ILE 13 HG22 ILE 13 0.462 -5.660 -3.494
109 HG23 ILE 13 HG23 ILE 13 -0.624 -4.368 -4.007
110 HD11 ILE 13 HD11 ILE 13 1.874 -5.605 -4.936
111 HD12 ILE 13 HD12 ILE 13 3.299 -5.218 -3.973
112 HD13 ILE 13 HD13 ILE 13 3.206 -4.702 -5.656
113 H LEU 14 HN LEU 14 0.872 -2.402 -0.125
114 HA LEU 14 HA LEU 14 -1.673 -3.247 0.693
115 HB2 LEU 14 HB2 LEU 14 0.165 -3.327 2.242
116 HB3 LEU 14 HB1 LEU 14 0.415 -1.596 2.114
117 HG LEU 14 HG LEU 14 -1.794 -1.235 3.194
118 HD11 LEU 14 HD11 LEU 14 -1.718 -4.215 3.624
119 HD12 LEU 14 HD12 LEU 14 -2.847 -3.346 2.588
120 HD13 LEU 14 HD13 LEU 14 -2.880 -3.095 4.333
121 HD21 LEU 14 HD21 LEU 14 0.165 -2.904 4.764
122 HD22 LEU 14 HD22 LEU 14 -1.063 -1.839 5.447
123 HD23 LEU 14 HD23 LEU 14 0.262 -1.163 4.497
124 H ARG 15 HN ARG 15 -0.313 -0.014 0.235
125 HA ARG 15 HA ARG 15 -2.597 1.421 1.016
126 HB2 ARG 15 HB2 ARG 15 -0.360 2.436 0.755
127 HB3 ARG 15 HB1 ARG 15 -0.482 2.226 -0.987
128 HG2 ARG 15 HG2 ARG 15 -2.379 3.729 -1.063
129 HG3 ARG 15 HG1 ARG 15 -2.332 3.903 0.691
130 HD2 ARG 15 HD2 ARG 15 -0.067 4.857 0.509
131 HD3 ARG 15 HD1 ARG 15 -0.181 4.736 -1.246
132 HE ARG 15 HE ARG 15 -2.312 6.243 0.003
133 HH11 ARG 15 HH11 ARG 15 0.884 6.368 -1.427
134 HH12 ARG 15 HH12 ARG 15 0.778 8.052 -1.831
135 HH21 ARG 15 HH21 ARG 15 -2.445 8.467 -0.505
136 HH22 ARG 15 HH22 ARG 15 -1.118 9.248 -1.303
137 H HIS 16 HN HIS 16 -1.683 -0.119 -1.983
138 HA HIS 16 HA HIS 16 -3.762 1.027 -3.559
139 HB2 HIS 16 HB2 HIS 16 -2.169 -1.507 -3.959
140 HB3 HIS 16 HB1 HIS 16 -3.322 -0.877 -5.126
141 HD1 HIS 16 HD1 HIS 16 -0.786 -1.105 -6.390
142 HD2 HIS 16 HD2 HIS 16 -1.573 2.165 -3.940
143 HE1 HIS 16 HE1 HIS 16 0.880 0.656 -7.061
144 HE2 HIS 16 HE2 HIS 16 0.449 2.593 -5.506
145 H GLN 17 HN GLN 17 -3.535 -1.773 -1.472
146 HA GLN 17 HA GLN 17 -5.981 -2.963 -2.293
147 HB2 GLN 17 HB2 GLN 17 -4.448 -3.239 0.300
148 HB3 GLN 17 HB1 GLN 17 -5.835 -4.222 -0.143
149 HG2 GLN 17 HG2 GLN 17 -3.119 -4.166 -1.431
150 HG3 GLN 17 HG1 GLN 17 -3.916 -5.511 -0.615
151 HE21 GLN 17 HE21 GLN 17 -2.811 -5.340 -3.310
152 HE22 GLN 17 HE22 GLN 17 -4.108 -5.730 -4.384
153 H ASN 18 HN ASN 18 -5.082 -0.601 0.136
154 HA ASN 18 HA ASN 18 -7.600 -0.275 1.348
155 HB2 ASN 18 HB2 ASN 18 -5.665 0.708 2.383
156 HB3 ASN 18 HB1 ASN 18 -5.294 1.637 0.936
157 HD21 ASN 18 HD21 ASN 18 -5.328 3.617 1.905
158 HD22 ASN 18 HD22 ASN 18 -6.763 4.340 2.532
159 H LEU 19 HN LEU 19 -6.157 1.160 -1.526
160 HA LEU 19 HA LEU 19 -8.465 2.822 -2.034
161 HB2 LEU 19 HB2 LEU 19 -6.042 2.293 -3.748
162 HB3 LEU 19 HB1 LEU 19 -7.242 3.538 -4.028
163 HG LEU 19 HG LEU 19 -5.408 3.403 -1.634
164 HD11 LEU 19 HD11 LEU 19 -4.169 3.912 -3.652
165 HD12 LEU 19 HD12 LEU 19 -4.315 5.351 -2.644
166 HD13 LEU 19 HD13 LEU 19 -5.331 5.169 -4.073
167 HD21 LEU 19 HD21 LEU 19 -7.543 4.471 -1.135
168 HD22 LEU 19 HD22 LEU 19 -7.341 5.537 -2.525
169 HD23 LEU 19 HD23 LEU 19 -6.234 5.651 -1.157
170 H LEU 20 HN LEU 20 -7.993 -0.354 -2.332
171 HA LEU 20 HA LEU 20 -9.567 -0.611 -4.799
172 HB2 LEU 20 HB2 LEU 20 -7.479 -1.937 -4.656
173 HB3 LEU 20 HB1 LEU 20 -8.086 -2.719 -3.212
174 HG LEU 20 HG LEU 20 -9.895 -3.743 -4.519
175 HD11 LEU 20 HD11 LEU 20 -8.559 -2.463 -6.896
176 HD12 LEU 20 HD12 LEU 20 -10.131 -2.021 -6.233
177 HD13 LEU 20 HD13 LEU 20 -9.893 -3.615 -6.949
178 HD21 LEU 20 HD21 LEU 20 -8.505 -5.301 -5.798
179 HD22 LEU 20 HD22 LEU 20 -7.813 -4.956 -4.215
180 HD23 LEU 20 HD23 LEU 20 -7.141 -4.195 -5.656
181 H LYS 21 HN LYS 21 -10.013 -0.154 -1.650
182 HA LYS 21 HA LYS 21 -12.236 -2.052 -1.370
183 HB2 LYS 21 HB2 LYS 21 -10.494 -2.077 0.406
184 HB3 LYS 21 HB1 LYS 21 -10.857 -0.394 0.754
185 HG2 LYS 21 HG2 LYS 21 -13.097 -0.981 1.442
186 HG3 LYS 21 HG1 LYS 21 -12.815 -2.666 1.008
187 HD2 LYS 21 HD2 LYS 21 -11.319 -1.128 3.125
188 HD3 LYS 21 HD1 LYS 21 -12.615 -2.283 3.426
189 HE2 LYS 21 HE2 LYS 21 -11.238 -4.031 2.319
190 HE3 LYS 21 HE1 LYS 21 -9.927 -2.860 2.182
191 HZ1 LYS 21 HZ1 LYS 21 -9.931 -2.663 4.603
192 HZ2 LYS 21 HZ2 LYS 21 -9.621 -4.248 4.110
193 HZ3 LYS 21 HZ3 LYS 21 -11.147 -3.832 4.707
194 H GLU 22 HN GLU 22 -13.957 -1.075 -2.310
195 HA GLU 22 HA GLU 22 -14.452 1.755 -1.888
196 HB2 GLU 22 HB2 GLU 22 -15.933 -0.345 -3.478
197 HB3 GLU 22 HB1 GLU 22 -16.451 1.330 -3.357
198 HG2 GLU 22 HG2 GLU 22 -13.845 0.368 -4.509
199 HG3 GLU 22 HG1 GLU 22 -15.247 0.919 -5.425
200 H LEU 23 HN LEU 23 -14.516 0.720 0.521
201 HA LEU 23 HA LEU 23 -17.364 0.314 1.149
202 HB2 LEU 23 HB2 LEU 23 -14.930 -0.443 2.767
203 HB3 LEU 23 HB1 LEU 23 -16.588 -0.647 3.294
204 HG LEU 23 HG LEU 23 -15.255 -2.062 0.986
205 HD11 LEU 23 HD11 LEU 23 -16.270 -3.074 3.636
206 HD12 LEU 23 HD12 LEU 23 -14.581 -2.896 3.170
207 HD13 LEU 23 HD13 LEU 23 -15.606 -4.066 2.341
208 HD21 LEU 23 HD21 LEU 23 -17.346 -3.322 0.787
209 HD22 LEU 23 HD22 LEU 23 -17.583 -1.607 0.452
210 HD23 LEU 23 HD23 LEU 23 -18.085 -2.281 2.004
211 H GLN 24 HN GLN 24 -17.796 2.528 1.067
212 HA GLN 24 HA GLN 24 -16.718 4.057 3.343
213 HB2 GLN 24 HB2 GLN 24 -17.431 5.050 0.576
214 HB3 GLN 24 HB1 GLN 24 -17.060 6.102 1.934
215 HG2 GLN 24 HG2 GLN 24 -15.165 4.047 0.820
216 HG3 GLN 24 HG1 GLN 24 -15.174 5.748 0.359
217 HE21 GLN 24 HE21 GLN 24 -14.481 3.463 2.894
218 HE22 GLN 24 HE22 GLN 24 -13.570 4.546 3.888
219 H ASP 25 HN ASP 25 -18.970 2.436 3.526
220 HA ASP 25 HA ASP 25 -21.308 4.132 3.198
221 HB2 ASP 25 HB2 ASP 25 -21.008 1.301 4.217
222 HB3 ASP 25 HB1 ASP 25 -22.542 2.158 4.158
Start of MODEL 15
1 H1 PHE 1 HT1 PHE 1 11.161 12.096 2.674
2 H2 PHE 1 HT2 PHE 1 10.279 10.940 1.810
3 H3 PHE 1 HT3 PHE 1 11.413 11.902 1.015
4 HA PHE 1 HA PHE 1 13.201 10.908 2.219
5 HB2 PHE 1 HB2 PHE 1 12.816 9.034 3.737
6 HB3 PHE 1 HB1 PHE 1 11.936 10.449 4.299
7 HD1 PHE 1 HD1 PHE 1 11.719 7.002 3.444
8 HD2 PHE 1 HD2 PHE 1 9.451 10.589 3.721
9 HE1 PHE 1 HE1 PHE 1 9.648 5.681 3.514
10 HE2 PHE 1 HE2 PHE 1 7.375 9.276 3.799
11 HZ PHE 1 HZ PHE 1 7.492 6.786 3.743
12 H GLU 2 HN GLU 2 14.193 8.917 1.503
13 HA GLU 2 HA GLU 2 12.650 7.414 -0.474
14 HB2 GLU 2 HB2 GLU 2 14.624 7.551 -2.041
15 HB3 GLU 2 HB1 GLU 2 13.729 9.050 -1.841
16 HG2 GLU 2 HG2 GLU 2 15.432 9.843 -0.271
17 HG3 GLU 2 HG1 GLU 2 16.334 8.349 -0.505
18 H THR 3 HN THR 3 12.688 5.853 1.251
19 HA THR 3 HA THR 3 15.295 4.536 1.576
20 HB THR 3 HB THR 3 14.208 3.486 3.619
21 HG1 THR 3 HG1 THR 3 12.498 5.396 4.195
22 HG21 THR 3 HG21 THR 3 14.596 6.478 3.584
23 HG22 THR 3 HG22 THR 3 15.860 5.267 3.798
24 HG23 THR 3 HG23 THR 3 14.604 5.457 5.022
25 H LEU 4 HN LEU 4 14.445 3.749 -0.680
26 HA LEU 4 HA LEU 4 12.388 1.782 -0.702
27 HB2 LEU 4 HB2 LEU 4 12.967 2.991 -2.717
28 HB3 LEU 4 HB1 LEU 4 14.599 2.359 -2.669
29 HG LEU 4 HG LEU 4 13.714 0.093 -3.085
30 HD11 LEU 4 HD11 LEU 4 11.067 1.515 -3.319
31 HD12 LEU 4 HD12 LEU 4 11.514 0.314 -2.109
32 HD13 LEU 4 HD13 LEU 4 11.370 -0.152 -3.802
33 HD21 LEU 4 HD21 LEU 4 13.096 0.458 -5.420
34 HD22 LEU 4 HD22 LEU 4 14.452 1.480 -4.945
35 HD23 LEU 4 HD23 LEU 4 12.834 2.168 -5.084
36 H ARG 5 HN ARG 5 12.819 0.328 0.892
37 HA ARG 5 HA ARG 5 15.246 -1.305 0.636
38 HB2 ARG 5 HB2 ARG 5 13.367 -0.871 2.952
39 HB3 ARG 5 HB1 ARG 5 14.686 -2.030 2.965
40 HG2 ARG 5 HG2 ARG 5 16.309 -0.395 3.026
41 HG3 ARG 5 HG1 ARG 5 15.245 0.828 2.329
42 HD2 ARG 5 HD2 ARG 5 14.856 -0.362 5.067
43 HD3 ARG 5 HD1 ARG 5 15.752 1.129 4.767
44 HE ARG 5 HE ARG 5 13.359 1.563 3.548
45 HH11 ARG 5 HH11 ARG 5 14.263 0.571 6.786
46 HH12 ARG 5 HH12 ARG 5 12.901 1.338 7.538
47 HH21 ARG 5 HH21 ARG 5 11.570 2.583 4.537
48 HH22 ARG 5 HH22 ARG 5 11.368 2.484 6.257
49 H GLY 6 HN GLY 6 12.927 -1.620 -1.058
50 HA2 GLY 6 HA2 GLY 6 12.039 -3.513 -2.075
51 HA3 GLY 6 HA1 GLY 6 12.618 -4.472 -0.723
52 H ASP 7 HN ASP 7 11.411 -3.584 1.425
53 HA ASP 7 HA ASP 7 8.853 -4.697 1.212
54 HB2 ASP 7 HB2 ASP 7 10.112 -3.078 3.419
55 HB3 ASP 7 HB1 ASP 7 8.519 -3.812 3.556
56 H GLU 8 HN GLU 8 9.889 -1.505 0.616
57 HA GLU 8 HA GLU 8 7.579 -0.039 1.154
58 HB2 GLU 8 HB2 GLU 8 9.774 0.933 0.486
59 HB3 GLU 8 HB1 GLU 8 9.482 0.379 -1.155
60 HG2 GLU 8 HG2 GLU 8 7.538 1.813 -1.317
61 HG3 GLU 8 HG1 GLU 8 7.761 2.331 0.353
62 H ARG 9 HN ARG 9 8.356 -2.233 -1.455
63 HA ARG 9 HA ARG 9 6.218 -1.564 -3.180
64 HB2 ARG 9 HB2 ARG 9 7.898 -4.021 -2.815
65 HB3 ARG 9 HB1 ARG 9 6.524 -4.038 -3.909
66 HG2 ARG 9 HG2 ARG 9 8.789 -2.066 -4.089
67 HG3 ARG 9 HG1 ARG 9 8.710 -3.576 -4.999
68 HD2 ARG 9 HD2 ARG 9 6.753 -1.281 -5.136
69 HD3 ARG 9 HD1 ARG 9 7.927 -1.738 -6.370
70 HE ARG 9 HE ARG 9 6.448 -3.989 -6.052
71 HH11 ARG 9 HH11 ARG 9 5.642 -0.649 -6.749
72 HH12 ARG 9 HH12 ARG 9 4.194 -1.052 -7.617
73 HH21 ARG 9 HH21 ARG 9 4.546 -4.514 -7.199
74 HH22 ARG 9 HH22 ARG 9 3.573 -3.244 -7.876
75 H ILE 10 HN ILE 10 6.496 -3.877 -0.526
76 HA ILE 10 HA ILE 10 3.882 -4.931 -0.730
77 HB ILE 10 HB ILE 10 5.678 -4.680 1.695
78 HG12 ILE 10 HG12 ILE 10 5.084 -7.055 -0.086
79 HG13 ILE 10 HG11 ILE 10 6.562 -6.102 -0.136
80 HG21 ILE 10 HG21 ILE 10 3.160 -6.312 1.358
81 HG22 ILE 10 HG22 ILE 10 3.343 -4.885 2.378
82 HG23 ILE 10 HG23 ILE 10 4.241 -6.356 2.752
83 HD11 ILE 10 HD11 ILE 10 7.093 -6.785 2.136
84 HD12 ILE 10 HD12 ILE 10 6.866 -8.186 1.086
85 HD13 ILE 10 HD13 ILE 10 5.595 -7.713 2.212
86 H LEU 11 HN LEU 11 5.257 -2.239 1.081
87 HA LEU 11 HA LEU 11 2.968 -1.505 2.521
88 HB2 LEU 11 HB2 LEU 11 5.356 -0.751 2.883
89 HB3 LEU 11 HB1 LEU 11 5.142 0.345 1.537
90 HG LEU 11 HG LEU 11 3.313 0.490 3.916
91 HD11 LEU 11 HD11 LEU 11 5.590 0.579 4.788
92 HD12 LEU 11 HD12 LEU 11 4.814 2.161 4.882
93 HD13 LEU 11 HD13 LEU 11 5.998 1.832 3.616
94 HD21 LEU 11 HD21 LEU 11 3.128 2.826 3.221
95 HD22 LEU 11 HD22 LEU 11 2.699 1.741 1.900
96 HD23 LEU 11 HD23 LEU 11 4.273 2.536 1.912
97 H SER 12 HN SER 12 4.147 -0.465 -0.664
98 HA SER 12 HA SER 12 2.067 1.447 -1.014
99 HB2 SER 12 HB2 SER 12 2.892 1.444 -3.414
100 HB3 SER 12 HB1 SER 12 4.064 1.886 -2.178
101 HG SER 12 HG SER 12 5.075 -0.025 -2.412
102 H ILE 13 HN ILE 13 2.517 -1.909 -2.036
103 HA ILE 13 HA ILE 13 0.170 -2.038 -3.606
104 HB ILE 13 HB ILE 13 1.674 -4.208 -2.143
105 HG12 ILE 13 HG12 ILE 13 1.469 -3.502 -5.080
106 HG13 ILE 13 HG11 ILE 13 2.839 -3.136 -4.037
107 HG21 ILE 13 HG21 ILE 13 -0.631 -4.924 -2.327
108 HG22 ILE 13 HG22 ILE 13 0.360 -5.819 -3.480
109 HG23 ILE 13 HG23 ILE 13 -0.658 -4.491 -4.036
110 HD11 ILE 13 HD11 ILE 13 3.247 -5.518 -3.732
111 HD12 ILE 13 HD12 ILE 13 3.275 -5.071 -5.438
112 HD13 ILE 13 HD13 ILE 13 1.866 -5.889 -4.764
113 H LEU 14 HN LEU 14 0.803 -2.623 -0.182
114 HA LEU 14 HA LEU 14 -1.810 -3.339 0.552
115 HB2 LEU 14 HB2 LEU 14 0.145 -3.624 2.015
116 HB3 LEU 14 HB1 LEU 14 0.287 -1.884 2.166
117 HG LEU 14 HG LEU 14 -1.942 -1.839 3.265
118 HD11 LEU 14 HD11 LEU 14 -1.672 -4.836 3.132
119 HD12 LEU 14 HD12 LEU 14 -2.907 -3.848 2.350
120 HD13 LEU 14 HD13 LEU 14 -2.856 -3.968 4.108
121 HD21 LEU 14 HD21 LEU 14 -1.174 -2.742 5.395
122 HD22 LEU 14 HD22 LEU 14 0.114 -1.861 4.577
123 HD23 LEU 14 HD23 LEU 14 0.109 -3.623 4.566
124 H ARG 15 HN ARG 15 -0.252 -0.201 0.127
125 HA ARG 15 HA ARG 15 -2.418 1.378 1.000
126 HB2 ARG 15 HB2 ARG 15 -0.204 2.345 0.675
127 HB3 ARG 15 HB1 ARG 15 -0.288 2.009 -1.048
128 HG2 ARG 15 HG2 ARG 15 -2.183 3.543 -1.253
129 HG3 ARG 15 HG1 ARG 15 -2.078 3.893 0.472
130 HD2 ARG 15 HD2 ARG 15 0.192 4.764 0.143
131 HD3 ARG 15 HD1 ARG 15 0.061 4.433 -1.584
132 HE ARG 15 HE ARG 15 -2.021 6.141 -0.521
133 HH11 ARG 15 HH11 ARG 15 1.149 5.979 -2.000
134 HH12 ARG 15 HH12 ARG 15 1.114 7.621 -2.562
135 HH21 ARG 15 HH21 ARG 15 -2.074 8.305 -1.262
136 HH22 ARG 15 HH22 ARG 15 -0.729 8.937 -2.158
137 H HIS 16 HN HIS 16 -1.655 -0.138 -2.070
138 HA HIS 16 HA HIS 16 -3.716 1.091 -3.575
139 HB2 HIS 16 HB2 HIS 16 -2.355 -1.577 -3.996
140 HB3 HIS 16 HB1 HIS 16 -3.426 -0.809 -5.159
141 HD1 HIS 16 HD1 HIS 16 -0.612 -1.436 -6.045
142 HD2 HIS 16 HD2 HIS 16 -1.668 2.167 -4.262
143 HE1 HIS 16 HE1 HIS 16 1.163 0.205 -6.736
144 HE2 HIS 16 HE2 HIS 16 0.565 2.350 -5.555
145 H GLN 17 HN GLN 17 -3.630 -1.591 -1.376
146 HA GLN 17 HA GLN 17 -6.223 -2.597 -2.012
147 HB2 GLN 17 HB2 GLN 17 -4.518 -2.924 0.465
148 HB3 GLN 17 HB1 GLN 17 -6.039 -3.765 0.198
149 HG2 GLN 17 HG2 GLN 17 -3.525 -4.029 -1.441
150 HG3 GLN 17 HG1 GLN 17 -4.212 -5.227 -0.344
151 HE21 GLN 17 HE21 GLN 17 -3.617 -5.328 -3.235
152 HE22 GLN 17 HE22 GLN 17 -5.105 -5.777 -3.993
153 H ASN 18 HN ASN 18 -4.957 -0.131 0.130
154 HA ASN 18 HA ASN 18 -7.349 0.337 1.565
155 HB2 ASN 18 HB2 ASN 18 -5.250 1.211 2.414
156 HB3 ASN 18 HB1 ASN 18 -5.032 2.195 0.973
157 HD21 ASN 18 HD21 ASN 18 -6.024 4.176 0.859
158 HD22 ASN 18 HD22 ASN 18 -6.973 4.840 2.138
159 H LEU 19 HN LEU 19 -6.114 1.494 -1.495
160 HA LEU 19 HA LEU 19 -8.247 3.353 -1.955
161 HB2 LEU 19 HB2 LEU 19 -6.239 2.129 -3.845
162 HB3 LEU 19 HB1 LEU 19 -7.352 3.413 -4.272
163 HG LEU 19 HG LEU 19 -5.185 3.631 -2.179
164 HD11 LEU 19 HD11 LEU 19 -4.265 3.456 -4.430
165 HD12 LEU 19 HD12 LEU 19 -4.065 5.083 -3.785
166 HD13 LEU 19 HD13 LEU 19 -5.328 4.754 -4.971
167 HD21 LEU 19 HD21 LEU 19 -7.040 5.702 -3.347
168 HD22 LEU 19 HD22 LEU 19 -5.714 6.022 -2.229
169 HD23 LEU 19 HD23 LEU 19 -7.100 5.065 -1.704
170 H LEU 20 HN LEU 20 -7.974 -0.005 -2.128
171 HA LEU 20 HA LEU 20 -10.022 -0.329 -4.170
172 HB2 LEU 20 HB2 LEU 20 -8.077 -1.861 -4.076
173 HB3 LEU 20 HB1 LEU 20 -8.577 -2.378 -2.478
174 HG LEU 20 HG LEU 20 -10.712 -3.216 -3.506
175 HD11 LEU 20 HD11 LEU 20 -9.227 -2.687 -6.074
176 HD12 LEU 20 HD12 LEU 20 -10.689 -1.866 -5.528
177 HD13 LEU 20 HD13 LEU 20 -10.736 -3.584 -5.919
178 HD21 LEU 20 HD21 LEU 20 -8.865 -4.706 -2.947
179 HD22 LEU 20 HD22 LEU 20 -8.139 -4.409 -4.526
180 HD23 LEU 20 HD23 LEU 20 -9.691 -5.237 -4.411
181 H LYS 21 HN LYS 21 -9.756 0.086 -0.839
182 HA LYS 21 HA LYS 21 -12.138 -1.424 -0.160
183 HB2 LYS 21 HB2 LYS 21 -10.144 -1.431 1.325
184 HB3 LYS 21 HB1 LYS 21 -10.367 0.292 1.590
185 HG2 LYS 21 HG2 LYS 21 -12.497 -0.110 2.650
186 HG3 LYS 21 HG1 LYS 21 -12.367 -1.834 2.303
187 HD2 LYS 21 HD2 LYS 21 -10.337 -1.936 3.693
188 HD3 LYS 21 HD1 LYS 21 -10.541 -0.226 4.084
189 HE2 LYS 21 HE2 LYS 21 -11.415 -1.650 5.866
190 HE3 LYS 21 HE1 LYS 21 -12.705 -0.714 5.110
191 HZ1 LYS 21 HZ1 LYS 21 -13.296 -2.672 3.807
192 HZ2 LYS 21 HZ2 LYS 21 -13.384 -2.994 5.462
193 HZ3 LYS 21 HZ3 LYS 21 -12.074 -3.563 4.562
194 H GLU 22 HN GLU 22 -13.934 -0.445 -0.852
195 HA GLU 22 HA GLU 22 -14.261 2.391 -0.922
196 HB2 GLU 22 HB2 GLU 22 -15.392 0.835 -2.492
197 HB3 GLU 22 HB1 GLU 22 -16.362 0.234 -1.156
198 HG2 GLU 22 HG2 GLU 22 -17.226 2.547 -0.838
199 HG3 GLU 22 HG1 GLU 22 -16.377 3.006 -2.314
200 H LEU 23 HN LEU 23 -15.324 -0.195 1.231
201 HA LEU 23 HA LEU 23 -16.925 1.489 2.882
202 HB2 LEU 23 HB2 LEU 23 -17.313 -0.914 2.796
203 HB3 LEU 23 HB1 LEU 23 -15.704 -1.218 3.423
204 HG LEU 23 HG LEU 23 -16.347 -0.110 5.545
205 HD11 LEU 23 HD11 LEU 23 -19.089 -0.024 4.296
206 HD12 LEU 23 HD12 LEU 23 -18.085 1.364 4.714
207 HD13 LEU 23 HD13 LEU 23 -18.722 0.320 5.986
208 HD21 LEU 23 HD21 LEU 23 -17.780 -1.910 6.357
209 HD22 LEU 23 HD22 LEU 23 -16.499 -2.531 5.317
210 HD23 LEU 23 HD23 LEU 23 -18.141 -2.377 4.695
211 H GLN 24 HN GLN 24 -16.061 3.112 3.973
212 HA GLN 24 HA GLN 24 -13.580 2.613 5.472
213 HB2 GLN 24 HB2 GLN 24 -14.390 5.178 4.085
214 HB3 GLN 24 HB1 GLN 24 -12.969 4.978 5.103
215 HG2 GLN 24 HG2 GLN 24 -12.087 3.325 3.530
216 HG3 GLN 24 HG1 GLN 24 -13.501 3.551 2.506
217 HE21 GLN 24 HE21 GLN 24 -10.542 4.950 3.659
218 HE22 GLN 24 HE22 GLN 24 -10.459 6.224 2.492
219 H ASP 25 HN ASP 25 -13.365 4.410 7.234
220 HA ASP 25 HA ASP 25 -16.020 4.795 8.451
221 HB2 ASP 25 HB2 ASP 25 -13.408 4.136 9.832
222 HB3 ASP 25 HB1 ASP 25 -14.887 4.593 10.666