Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
543617 | 2luv RC | 18542 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 H LYS 1 1.806 0.000 0.856
2 HA LYS 1 HA LYS 1 2.614 -0.945 -1.309
3 HB2 LYS 1 2HB LYS 1 0.158 0.338 -2.083
4 HB3 LYS 1 3HB LYS 1 1.486 0.975 -3.044
5 HG2 LYS 1 2HG LYS 1 1.049 -0.785 -4.359
6 HG3 LYS 1 3HG LYS 1 2.014 -1.669 -3.174
7 HD2 LYS 1 2HD LYS 1 0.090 -2.965 -3.374
8 HD3 LYS 1 3HD LYS 1 -0.222 -1.999 -1.930
9 HE2 LYS 1 2HE LYS 1 -1.456 -0.381 -3.393
10 HE3 LYS 1 3HE LYS 1 -1.283 -1.537 -4.713
11 HZ1 LYS 1 3HZ LYS 1 -2.462 -2.413 -2.165
12 HZ2 LYS 1 1HZ LYS 1 -2.714 -3.016 -3.726
13 HZ3 LYS 1 2HZ LYS 1 -3.411 -1.546 -3.265
14 H VAL 2 H VAL 2 4.408 0.003 -0.209
15 HA VAL 2 HA VAL 2 5.335 2.421 -1.499
16 HB VAL 2 HB VAL 2 4.948 2.305 1.491
17 HG11 VAL 2 1HG1 VAL 2 6.595 4.213 -0.161
18 HG12 VAL 2 2HG1 VAL 2 6.116 4.510 1.512
19 HG13 VAL 2 3HG1 VAL 2 7.160 3.143 1.122
20 HG21 VAL 2 3HG2 VAL 2 3.972 4.211 -0.633
21 HG22 VAL 2 1HG2 VAL 2 2.999 3.075 0.302
22 HG23 VAL 2 2HG2 VAL 2 3.764 4.448 1.102
23 H GLY 3 H GLY 3 5.919 -0.120 0.890
24 HA2 GLY 3 2HA GLY 3 8.766 0.186 0.865
25 HA3 GLY 3 3HA GLY 3 7.868 -1.157 1.559
26 H PHE 4 H PHE 4 6.594 -1.183 -1.331
27 HA PHE 4 HA PHE 4 8.403 -3.228 -2.298
28 HB2 PHE 4 2HB PHE 4 5.942 -2.311 -3.754
29 HB3 PHE 4 3HB PHE 4 6.674 -3.912 -3.720
30 HD1 PHE 4 HD1 PHE 4 4.728 -1.478 -1.737
31 HD2 PHE 4 HD2 PHE 4 6.032 -5.511 -2.119
32 HE1 PHE 4 HE1 PHE 4 3.161 -2.149 0.037
33 HE2 PHE 4 HE2 PHE 4 4.467 -6.189 -0.346
34 HZ PHE 4 HZ PHE 4 3.028 -4.507 0.734
35 H PHE 5 H PHE 5 7.173 -0.087 -3.370
36 HA PHE 5 HA PHE 5 8.524 -0.069 -5.857
37 HB2 PHE 5 2HB PHE 5 7.691 2.350 -4.250
38 HB3 PHE 5 3HB PHE 5 7.916 2.250 -5.993
39 HD1 PHE 5 HD1 PHE 5 5.775 1.177 -3.188
40 HD2 PHE 5 HD2 PHE 5 6.184 1.501 -7.412
41 HE1 PHE 5 HE1 PHE 5 3.392 0.627 -3.458
42 HE2 PHE 5 HE2 PHE 5 3.802 0.954 -7.689
43 HZ PHE 5 HZ PHE 5 2.402 0.517 -5.710
44 H LYS 6 H LYS 6 9.431 0.883 -2.615
45 HA LYS 6 HA LYS 6 11.641 2.477 -3.115
46 HB2 LYS 6 2HB LYS 6 11.013 0.546 -0.895
47 HB3 LYS 6 3HB LYS 6 12.511 1.467 -0.908
48 HG2 LYS 6 2HG LYS 6 9.724 2.607 -0.900
49 HG3 LYS 6 3HG LYS 6 10.841 2.557 0.466
50 HD2 LYS 6 2HD LYS 6 12.441 3.881 -1.027
51 HD3 LYS 6 3HD LYS 6 11.042 4.167 -2.065
52 HE2 LYS 6 2HE LYS 6 10.386 5.821 -0.739
53 HE3 LYS 6 3HE LYS 6 10.284 4.704 0.621
54 HZ1 LYS 6 3HZ LYS 6 12.864 5.886 -0.197
55 HZ2 LYS 6 1HZ LYS 6 12.437 5.206 1.292
56 HZ3 LYS 6 2HZ LYS 6 11.814 6.712 0.840
57 H ARG 7 H ARG 7 11.312 -1.009 -3.274
58 HA ARG 7 HA ARG 7 14.151 -1.227 -4.016
59 HB2 ARG 7 2HB ARG 7 13.959 -3.610 -3.486
60 HB3 ARG 7 3HB ARG 7 13.499 -2.616 -2.110
61 HG2 ARG 7 2HG ARG 7 11.086 -2.940 -3.061
62 HG3 ARG 7 3HG ARG 7 11.811 -4.339 -3.855
63 HD2 ARG 7 2HD ARG 7 12.232 -3.882 -0.930
64 HD3 ARG 7 3HD ARG 7 10.728 -4.602 -1.505
65 HE ARG 7 HE ARG 7 12.906 -5.962 -2.650
66 HH11 ARG 7 1HH1 ARG 7 11.321 -5.519 0.418
67 HH12 ARG 7 2HH1 ARG 7 11.785 -7.072 1.030
68 HH21 ARG 7 1HH2 ARG 7 13.523 -8.009 -1.856
69 HH22 ARG 7 2HH2 ARG 7 13.038 -8.487 -0.265
70 H GLN 8 H GLN 8 10.943 -1.455 -5.182
71 HA GLN 8 HA GLN 8 11.663 -3.071 -7.489
72 HB2 GLN 8 2HB GLN 8 9.081 -1.845 -6.539
73 HB3 GLN 8 3HB GLN 8 9.229 -2.597 -8.122
74 HG2 GLN 8 2HG GLN 8 9.998 -4.082 -5.643
75 HG3 GLN 8 3HG GLN 8 8.316 -3.985 -6.162
76 HE21 GLN 8 1HE2 GLN 8 9.493 -6.408 -5.975
77 HE22 GLN 8 2HE2 GLN 8 9.767 -7.069 -7.548
78 H TYR 9 H TYR 9 10.564 0.234 -6.803
79 HA TYR 9 HA TYR 9 10.601 1.141 -9.469
80 HB2 TYR 9 2HB TYR 9 9.424 2.334 -7.673
81 HB3 TYR 9 3HB TYR 9 10.964 2.720 -6.913
82 HD1 TYR 9 HD1 TYR 9 12.657 4.050 -8.400
83 HD2 TYR 9 HD2 TYR 9 8.472 3.855 -9.141
84 HE1 TYR 9 HE1 TYR 9 12.803 6.111 -9.734
85 HE2 TYR 9 HE2 TYR 9 8.607 5.914 -10.478
86 HH TYR 9 HH TYR 9 11.020 8.027 -10.362
87 H LYS 10 H LYS 10 13.045 1.217 -6.909
88 HA LYS 10 HA LYS 10 14.977 2.683 -8.365
89 HB2 LYS 10 2HB LYS 10 16.443 2.240 -6.603
90 HB3 LYS 10 3HB LYS 10 14.862 2.194 -5.833
91 HG2 LYS 10 2HG LYS 10 14.899 -0.286 -6.061
92 HG3 LYS 10 3HG LYS 10 16.560 -0.154 -6.645
93 HD2 LYS 10 2HD LYS 10 15.871 1.187 -4.082
94 HD3 LYS 10 3HD LYS 10 16.001 -0.574 -4.087
95 HE2 LYS 10 2HE LYS 10 18.250 -0.502 -4.800
96 HE3 LYS 10 3HE LYS 10 18.139 1.204 -5.230
97 HZ1 LYS 10 3HZ LYS 10 18.471 -0.032 -2.601
98 HZ2 LYS 10 1HZ LYS 10 17.579 1.403 -2.684
99 HZ3 LYS 10 2HZ LYS 10 19.178 1.369 -3.233
100 H GLU 11 H GLU 11 14.171 -0.717 -8.196
101 HA GLU 11 HA GLU 11 16.537 -1.615 -9.543
102 HB2 GLU 11 2HB GLU 11 14.007 -2.853 -8.592
103 HB3 GLU 11 3HB GLU 11 14.874 -3.683 -9.876
104 HG2 GLU 11 2HG GLU 11 16.856 -3.818 -8.499
105 HG3 GLU 11 3HG GLU 11 16.060 -2.897 -7.224
106 H MET 12 H MET 12 13.256 -0.767 -10.487
107 HA MET 12 HA MET 12 13.562 -1.662 -13.196
108 HB2 MET 12 2HB MET 12 11.477 -0.115 -11.697
109 HB3 MET 12 3HB MET 12 11.429 -0.175 -13.454
110 HG2 MET 12 2HG MET 12 11.494 -2.619 -11.706
111 HG3 MET 12 3HG MET 12 10.011 -1.865 -12.286
112 HE1 MET 12 3HE MET 12 11.452 -4.686 -12.420
113 HE2 MET 12 1HE MET 12 10.045 -4.965 -13.446
114 HE3 MET 12 2HE MET 12 11.664 -5.295 -14.062
115 H MET 13 H MET 13 14.347 1.186 -11.442
116 HA MET 13 HA MET 13 14.451 2.891 -13.781
117 HB2 MET 13 2HB MET 13 13.927 3.554 -11.303
118 HB3 MET 13 3HB MET 13 15.677 3.610 -11.144
119 HG2 MET 13 2HG MET 13 15.123 5.795 -11.642
120 HG3 MET 13 3HG MET 13 15.606 5.140 -13.205
121 HE1 MET 13 3HE MET 13 14.681 7.349 -13.822
122 HE2 MET 13 1HE MET 13 13.872 6.575 -15.185
123 HE3 MET 13 2HE MET 13 12.982 7.693 -14.151
124 H GLU 14 H GLU 14 16.673 1.112 -11.714
125 HA GLU 14 HA GLU 14 19.035 2.191 -12.933
126 HB2 GLU 14 2HB GLU 14 20.254 0.686 -11.549
127 HB3 GLU 14 3HB GLU 14 18.905 1.278 -10.589
128 HG2 GLU 14 2HG GLU 14 17.685 -0.781 -10.992
129 HG3 GLU 14 3HG GLU 14 18.996 -1.374 -12.011
130 H GLU 15 H GLU 15 16.890 -0.451 -13.565
131 HA GLU 15 HA GLU 15 18.725 -1.899 -15.244
132 HB2 GLU 15 2HB GLU 15 16.970 -3.431 -15.607
133 HB3 GLU 15 3HB GLU 15 16.778 -2.899 -13.942
134 HG2 GLU 15 2HG GLU 15 14.634 -2.661 -14.551
135 HG3 GLU 15 3HG GLU 15 15.201 -1.112 -15.175
136 H ALA 16 H ALA 16 16.269 0.545 -15.657
137 HA ALA 16 HA ALA 16 16.410 0.331 -18.568
138 HB1 ALA 16 1HB ALA 16 14.206 0.579 -17.514
139 HB2 ALA 16 2HB ALA 16 14.706 2.139 -16.859
140 HB3 ALA 16 3HB ALA 16 14.574 1.917 -18.603
141 H ASN 17 H ASN 17 17.956 1.963 -16.076
142 HA ASN 17 HA ASN 17 18.462 4.407 -17.548
143 HB2 ASN 17 2HB ASN 17 18.997 3.403 -14.816
144 HB3 ASN 17 3HB ASN 17 20.189 4.525 -15.466
145 HD21 ASN 17 1HD2 ASN 17 16.827 4.599 -16.369
146 HD22 ASN 17 2HD2 ASN 17 16.442 6.084 -15.574
147 H GLY 18 H GLY 18 19.717 1.298 -17.513
148 HA2 GLY 18 2HA GLY 18 21.397 0.915 -19.299
149 HA3 GLY 18 3HA GLY 18 22.286 2.265 -18.610
150 H GLN 19 H GLN 19 20.684 -0.433 -16.959
151 HA GLN 19 HA GLN 19 22.577 -0.868 -15.033
152 HB2 GLN 19 2HB GLN 19 20.601 -2.057 -14.736
153 HB3 GLN 19 3HB GLN 19 20.615 -2.687 -16.377
154 HG2 GLN 19 2HG GLN 19 22.117 -4.359 -15.869
155 HG3 GLN 19 3HG GLN 19 22.743 -3.510 -14.457
156 HE21 GLN 19 1HE2 GLN 19 19.746 -4.953 -15.682
157 HE22 GLN 19 2HE2 GLN 19 19.238 -5.608 -14.166
158 H ILE 20 H ILE 20 22.735 -1.706 -18.386
159 HA ILE 20 HA ILE 20 25.316 -3.047 -17.905
160 HB ILE 20 HB ILE 20 23.861 -3.573 -20.440
161 HG12 ILE 20 2HG1 ILE 20 22.832 -5.591 -19.065
162 HG13 ILE 20 3HG1 ILE 20 22.941 -4.445 -17.734
163 HG21 ILE 20 1HG2 ILE 20 25.966 -4.765 -18.802
164 HG22 ILE 20 2HG2 ILE 20 24.819 -5.935 -19.452
165 HG23 ILE 20 3HG2 ILE 20 25.692 -4.857 -20.542
166 HD11 ILE 20 3HD1 ILE 20 21.760 -2.886 -19.554
167 HD12 ILE 20 1HD1 ILE 20 21.167 -4.460 -20.085
168 HD13 ILE 20 2HD1 ILE 20 20.870 -3.916 -18.433
169 H ALA 21 H ALA 21 23.751 -0.402 -19.264
170 HA ALA 21 HA ALA 21 25.933 0.081 -21.177
171 HB1 ALA 21 1HB ALA 21 24.296 0.671 -22.556
172 HB2 ALA 21 2HB ALA 21 23.098 0.566 -21.266
173 HB3 ALA 21 3HB ALA 21 23.995 2.064 -21.517
174 HA PRO 22 HA PRO 22 27.602 3.431 -18.887
175 HB2 PRO 22 2HB PRO 22 28.046 5.327 -20.779
176 HB3 PRO 22 3HB PRO 22 29.005 3.847 -20.658
177 HG2 PRO 22 2HG PRO 22 26.722 4.480 -22.488
178 HG3 PRO 22 3HG PRO 22 28.254 3.666 -22.852
179 HD2 PRO 22 2HD PRO 22 25.941 2.313 -22.463
180 HD3 PRO 22 3HD PRO 22 27.524 1.646 -22.014
181 H GLU 23 H GLU 23 24.574 3.701 -20.311
182 HA GLU 23 HA GLU 23 23.971 6.426 -19.909
183 HB2 GLU 23 2HB GLU 23 22.361 3.933 -20.250
184 HB3 GLU 23 3HB GLU 23 21.550 5.394 -19.702
185 HG2 GLU 23 2HG GLU 23 22.574 6.543 -21.716
186 HG3 GLU 23 3HG GLU 23 22.994 4.930 -22.289
187 H ASN 24 H ASN 24 24.015 3.669 -17.771
188 HA ASN 24 HA ASN 24 22.431 4.576 -15.681
189 HB2 ASN 24 2HB ASN 24 24.117 2.410 -16.120
190 HB3 ASN 24 3HB ASN 24 24.834 3.228 -14.735
191 HD21 ASN 24 1HD2 ASN 24 21.651 2.233 -15.945
192 HD22 ASN 24 2HD2 ASN 24 21.050 1.694 -14.418
193 H GLY 25 H GLY 25 22.567 6.611 -14.931
194 HA2 GLY 25 2HA GLY 25 23.733 7.859 -13.145
195 HA3 GLY 25 3HA GLY 25 25.223 7.530 -14.016
196 H THR 26 H THR 26 23.365 8.026 -16.507
197 HA THR 26 HA THR 26 24.051 10.852 -16.677
198 HB THR 26 HB THR 26 22.756 9.358 -18.924
199 HG1 THR 26 HG1 THR 26 25.258 8.843 -17.788
200 HG21 THR 26 3HG2 THR 26 23.305 11.243 -19.977
201 HG22 THR 26 1HG2 THR 26 25.006 10.852 -19.724
202 HG23 THR 26 2HG2 THR 26 24.143 11.842 -18.545
203 H GLN 27 H GLN 27 21.224 8.756 -16.712
204 HA GLN 27 HA GLN 27 19.505 11.144 -16.794
205 HB2 GLN 27 2HB GLN 27 18.840 8.275 -17.476
206 HB3 GLN 27 3HB GLN 27 17.697 9.612 -17.505
207 HG2 GLN 27 2HG GLN 27 20.140 9.321 -19.238
208 HG3 GLN 27 3HG GLN 27 18.466 9.089 -19.738
209 HE21 GLN 27 1HE2 GLN 27 17.226 10.830 -20.227
210 HE22 GLN 27 2HE2 GLN 27 17.814 12.454 -20.255
211 H THR 28 H THR 28 20.821 9.001 -14.685
212 HA THR 28 HA THR 28 18.886 8.028 -13.030
213 HB THR 28 HB THR 28 21.135 7.537 -12.477
214 HG1 THR 28 HG1 THR 28 21.216 8.560 -10.235
215 HG21 THR 28 3HG2 THR 28 22.118 9.612 -13.409
216 HG22 THR 28 1HG2 THR 28 22.783 9.188 -11.832
217 HG23 THR 28 2HG2 THR 28 21.589 10.478 -11.967
218 HA PRO 29 HA PRO 29 16.626 11.425 -11.385
219 HB2 PRO 29 2HB PRO 29 15.791 10.328 -9.047
220 HB3 PRO 29 3HB PRO 29 15.122 9.867 -10.617
221 HG2 PRO 29 2HG PRO 29 17.200 8.484 -8.964
222 HG3 PRO 29 3HG PRO 29 15.833 7.789 -9.854
223 HD2 PRO 29 2HD PRO 29 18.364 7.757 -10.815
224 HD3 PRO 29 3HD PRO 29 16.942 7.871 -11.872
225 H SER 30 H SER 30 19.045 12.276 -11.146
226 HA SER 30 HA SER 30 20.340 12.316 -8.692
227 HB2 SER 30 2HB SER 30 21.698 13.932 -9.598
228 HB3 SER 30 3HB SER 30 20.939 13.346 -11.078
229 HG SER 30 HG SER 30 19.498 15.075 -10.975
230 HA PRO 31 HA PRO 31 17.934 14.791 -5.982
231 HB2 PRO 31 2HB PRO 31 19.866 16.057 -4.555
232 HB3 PRO 31 3HB PRO 31 19.502 14.338 -4.365
233 HG2 PRO 31 2HG PRO 31 21.689 15.649 -5.933
234 HG3 PRO 31 3HG PRO 31 21.765 14.218 -4.888
235 HD2 PRO 31 2HD PRO 31 21.631 14.046 -7.587
236 HD3 PRO 31 3HD PRO 31 20.907 12.829 -6.515
237 HA PRO 32 HA PRO 32 17.435 18.915 -7.422
238 HB2 PRO 32 2HB PRO 32 16.768 20.264 -5.163
239 HB3 PRO 32 3HB PRO 32 15.677 19.123 -5.958
240 HG2 PRO 32 2HG PRO 32 17.442 18.710 -3.575
241 HG3 PRO 32 3HG PRO 32 15.769 18.183 -3.833
242 HD2 PRO 32 2HD PRO 32 17.883 16.517 -4.128
243 HD3 PRO 32 3HD PRO 32 16.404 16.364 -5.098
244 H SER 33 H SER 33 19.677 18.373 -4.802
245 HA SER 33 HA SER 33 20.818 20.977 -4.764
246 HB2 SER 33 2HB SER 33 21.118 18.578 -3.296
247 HB3 SER 33 3HB SER 33 22.711 18.976 -3.939
248 HG SER 33 HG SER 33 21.037 20.556 -2.295
249 H GLU 34 H GLU 34 21.299 18.151 -6.720
250 HA GLU 34 HA GLU 34 23.693 19.335 -7.938
251 HB2 GLU 34 2HB GLU 34 23.612 16.898 -7.113
252 HB3 GLU 34 3HB GLU 34 22.610 16.590 -8.524
253 HG2 GLU 34 2HG GLU 34 24.694 17.903 -9.649
254 HG3 GLU 34 3HG GLU 34 25.495 17.065 -8.321
255 H LYS 35 H LYS 35 20.374 18.534 -8.530
256 HA LYS 35 HA LYS 35 20.650 19.139 -11.384
257 HB2 LYS 35 2HB LYS 35 19.163 17.226 -10.070
258 HB3 LYS 35 3HB LYS 35 17.971 18.475 -10.406
259 HG2 LYS 35 2HG LYS 35 19.064 18.367 -12.810
260 HG3 LYS 35 3HG LYS 35 19.484 16.738 -12.275
261 HD2 LYS 35 2HD LYS 35 17.254 16.104 -12.053
262 HD3 LYS 35 3HD LYS 35 16.688 17.774 -11.970
263 HE2 LYS 35 2HE LYS 35 17.486 18.006 -14.368
264 HE3 LYS 35 3HE LYS 35 17.656 16.252 -14.377
265 HZ1 LYS 35 3HZ LYS 35 15.105 17.333 -13.464
266 HZ2 LYS 35 1HZ LYS 35 15.429 15.942 -14.371
267 HZ3 LYS 35 2HZ LYS 35 15.440 17.460 -15.118
Start of MODEL 2
1 H1 LYS 1 H LYS 1 1.078 -0.680 -0.037
2 HA LYS 1 HA LYS 1 2.196 -1.848 -1.938
3 HB2 LYS 1 2HB LYS 1 -0.398 -1.255 -3.032
4 HB3 LYS 1 3HB LYS 1 0.850 -0.569 -4.064
5 HG2 LYS 1 2HG LYS 1 0.842 -2.604 -4.999
6 HG3 LYS 1 3HG LYS 1 1.873 -3.028 -3.631
7 HD2 LYS 1 2HD LYS 1 0.247 -4.694 -3.613
8 HD3 LYS 1 3HD LYS 1 -0.340 -3.544 -2.409
9 HE2 LYS 1 2HE LYS 1 -2.268 -3.788 -3.573
10 HE3 LYS 1 3HE LYS 1 -1.536 -2.539 -4.579
11 HZ1 LYS 1 3HZ LYS 1 -2.457 -4.494 -5.803
12 HZ2 LYS 1 1HZ LYS 1 -1.231 -5.438 -5.119
13 HZ3 LYS 1 2HZ LYS 1 -0.836 -4.150 -6.141
14 H VAL 2 H VAL 2 3.697 -0.362 -1.001
15 HA VAL 2 HA VAL 2 4.242 1.887 -2.736
16 HB VAL 2 HB VAL 2 3.667 2.292 0.198
17 HG11 VAL 2 1HG1 VAL 2 5.044 4.123 -1.759
18 HG12 VAL 2 2HG1 VAL 2 4.397 4.643 -0.202
19 HG13 VAL 2 3HG1 VAL 2 5.704 3.461 -0.265
20 HG21 VAL 2 3HG2 VAL 2 2.136 4.039 -0.672
21 HG22 VAL 2 1HG2 VAL 2 2.511 3.503 -2.310
22 HG23 VAL 2 2HG2 VAL 2 1.699 2.410 -1.188
23 H GLY 3 H GLY 3 5.119 0.030 0.141
24 HA2 GLY 3 2HA GLY 3 7.851 0.888 0.149
25 HA3 GLY 3 3HA GLY 3 7.175 -0.442 1.077
26 H PHE 4 H PHE 4 6.141 -1.293 -1.783
27 HA PHE 4 HA PHE 4 8.368 -3.087 -2.244
28 HB2 PHE 4 2HB PHE 4 5.890 -2.983 -3.939
29 HB3 PHE 4 3HB PHE 4 6.906 -4.367 -3.549
30 HD1 PHE 4 HD1 PHE 4 4.400 -2.025 -2.178
31 HD2 PHE 4 HD2 PHE 4 6.459 -5.716 -1.675
32 HE1 PHE 4 HE1 PHE 4 2.862 -2.630 -0.355
33 HE2 PHE 4 HE2 PHE 4 4.924 -6.328 0.148
34 HZ PHE 4 HZ PHE 4 3.123 -4.784 0.810
35 H PHE 5 H PHE 5 6.636 -0.547 -4.004
36 HA PHE 5 HA PHE 5 8.155 -0.748 -6.384
37 HB2 PHE 5 2HB PHE 5 6.743 1.723 -5.375
38 HB3 PHE 5 3HB PHE 5 7.107 1.303 -7.045
39 HD1 PHE 5 HD2 PHE 5 5.014 0.449 -4.132
40 HD2 PHE 5 HD1 PHE 5 5.668 -0.084 -8.304
41 HE1 PHE 5 HE2 PHE 5 2.810 -0.623 -4.337
42 HE2 PHE 5 HE1 PHE 5 3.463 -1.157 -8.516
43 HZ PHE 5 HZ PHE 5 2.031 -1.428 -6.530
44 H LYS 6 H LYS 6 8.609 0.972 -3.379
45 HA LYS 6 HA LYS 6 10.482 2.878 -4.117
46 HB2 LYS 6 2HB LYS 6 9.604 1.615 -1.659
47 HB3 LYS 6 3HB LYS 6 11.330 1.952 -1.620
48 HG2 LYS 6 2HG LYS 6 11.027 4.173 -1.507
49 HG3 LYS 6 3HG LYS 6 9.654 4.149 -2.615
50 HD2 LYS 6 2HD LYS 6 8.523 4.670 -0.718
51 HD3 LYS 6 3HD LYS 6 8.533 2.915 -0.524
52 HE2 LYS 6 2HE LYS 6 10.797 3.349 0.696
53 HE3 LYS 6 3HE LYS 6 10.178 4.991 0.863
54 HZ1 LYS 6 3HZ LYS 6 9.700 3.244 2.692
55 HZ2 LYS 6 1HZ LYS 6 8.484 2.716 1.640
56 HZ3 LYS 6 2HZ LYS 6 8.472 4.306 2.217
57 H ARG 7 H ARG 7 10.879 -0.562 -3.553
58 HA ARG 7 HA ARG 7 13.748 -0.310 -4.160
59 HB2 ARG 7 2HB ARG 7 12.168 -2.177 -2.477
60 HB3 ARG 7 3HB ARG 7 13.540 -2.857 -3.341
61 HG2 ARG 7 2HG ARG 7 14.699 -2.231 -1.534
62 HG3 ARG 7 3HG ARG 7 14.652 -0.628 -2.271
63 HD2 ARG 7 2HD ARG 7 12.746 -0.012 -0.954
64 HD3 ARG 7 3HD ARG 7 12.581 -1.657 -0.340
65 HE ARG 7 HE ARG 7 14.292 0.374 0.673
66 HH11 ARG 7 1HH1 ARG 7 14.057 -3.062 0.166
67 HH12 ARG 7 2HH1 ARG 7 15.126 -3.459 1.470
68 HH21 ARG 7 1HH2 ARG 7 15.702 -0.136 2.392
69 HH22 ARG 7 2HH2 ARG 7 16.061 -1.794 2.736
70 H GLN 8 H GLN 8 10.745 -1.435 -5.344
71 HA GLN 8 HA GLN 8 11.936 -3.298 -7.232
72 HB2 GLN 8 2HB GLN 8 9.100 -2.472 -6.643
73 HB3 GLN 8 3HB GLN 8 9.510 -3.485 -8.020
74 HG2 GLN 8 2HG GLN 8 10.511 -4.309 -5.355
75 HG3 GLN 8 3HG GLN 8 8.789 -4.494 -5.686
76 HE21 GLN 8 1HE2 GLN 8 8.128 -6.191 -6.836
77 HE22 GLN 8 2HE2 GLN 8 9.166 -7.316 -7.636
78 H TYR 9 H TYR 9 10.157 -0.226 -7.294
79 HA TYR 9 HA TYR 9 10.209 0.110 -10.092
80 HB2 TYR 9 2HB TYR 9 8.685 1.363 -8.626
81 HB3 TYR 9 3HB TYR 9 10.056 2.214 -7.922
82 HD1 TYR 9 HD2 TYR 9 11.551 3.539 -9.612
83 HD2 TYR 9 HD1 TYR 9 7.554 2.316 -10.410
84 HE1 TYR 9 HE2 TYR 9 11.375 5.269 -11.352
85 HE2 TYR 9 HE1 TYR 9 7.368 4.042 -12.153
86 HH TYR 9 HH TYR 9 9.201 6.592 -12.419
87 H LYS 10 H LYS 10 12.387 1.218 -7.530
88 HA LYS 10 HA LYS 10 14.090 2.734 -9.205
89 HB2 LYS 10 2HB LYS 10 15.472 2.986 -7.343
90 HB3 LYS 10 3HB LYS 10 13.881 2.752 -6.630
91 HG2 LYS 10 2HG LYS 10 14.449 0.345 -6.327
92 HG3 LYS 10 3HG LYS 10 16.087 0.720 -6.870
93 HD2 LYS 10 2HD LYS 10 14.939 2.363 -4.676
94 HD3 LYS 10 3HD LYS 10 15.422 0.708 -4.300
95 HE2 LYS 10 2HE LYS 10 17.608 1.190 -4.448
96 HE3 LYS 10 3HE LYS 10 17.386 2.191 -5.882
97 HZ1 LYS 10 3HZ LYS 10 17.814 3.888 -4.526
98 HZ2 LYS 10 1HZ LYS 10 17.585 2.966 -3.126
99 HZ3 LYS 10 2HZ LYS 10 16.256 3.664 -3.905
100 H GLU 11 H GLU 11 13.965 -0.653 -8.344
101 HA GLU 11 HA GLU 11 16.561 -1.282 -9.389
102 HB2 GLU 11 2HB GLU 11 14.260 -2.823 -8.294
103 HB3 GLU 11 3HB GLU 11 15.409 -3.682 -9.311
104 HG2 GLU 11 2HG GLU 11 16.403 -2.013 -7.050
105 HG3 GLU 11 3HG GLU 11 15.730 -3.611 -6.732
106 H MET 12 H MET 12 13.271 -1.295 -10.605
107 HA MET 12 HA MET 12 13.925 -2.677 -13.036
108 HB2 MET 12 2HB MET 12 11.486 -1.121 -12.171
109 HB3 MET 12 3HB MET 12 11.615 -1.934 -13.725
110 HG2 MET 12 2HG MET 12 12.197 -3.575 -11.348
111 HG3 MET 12 3HG MET 12 10.527 -3.048 -11.548
112 HE1 MET 12 3HE MET 12 9.130 -5.733 -13.407
113 HE2 MET 12 1HE MET 12 9.052 -4.415 -12.236
114 HE3 MET 12 2HE MET 12 8.967 -4.066 -13.963
115 H MET 13 H MET 13 13.994 0.594 -11.939
116 HA MET 13 HA MET 13 13.993 1.744 -14.590
117 HB2 MET 13 2HB MET 13 13.623 2.701 -11.940
118 HB3 MET 13 3HB MET 13 14.989 3.568 -12.630
119 HG2 MET 13 2HG MET 13 12.580 3.305 -14.321
120 HG3 MET 13 3HG MET 13 12.464 4.361 -12.916
121 HE1 MET 13 3HE MET 13 11.900 5.459 -15.636
122 HE2 MET 13 1HE MET 13 13.203 6.257 -16.517
123 HE3 MET 13 2HE MET 13 13.033 4.504 -16.593
124 H GLU 14 H GLU 14 16.339 0.917 -12.100
125 HA GLU 14 HA GLU 14 18.552 2.143 -13.447
126 HB2 GLU 14 2HB GLU 14 19.930 0.997 -11.763
127 HB3 GLU 14 3HB GLU 14 18.587 1.861 -11.028
128 HG2 GLU 14 2HG GLU 14 18.613 -0.147 -9.887
129 HG3 GLU 14 3HG GLU 14 17.363 -0.395 -11.105
130 H GLU 15 H GLU 15 16.979 -0.943 -13.547
131 HA GLU 15 HA GLU 15 19.163 -2.325 -14.809
132 HB2 GLU 15 2HB GLU 15 17.850 -4.214 -14.713
133 HB3 GLU 15 3HB GLU 15 17.165 -3.275 -13.394
134 HG2 GLU 15 2HG GLU 15 15.458 -2.436 -15.065
135 HG3 GLU 15 3HG GLU 15 16.052 -3.693 -16.149
136 H ALA 16 H ALA 16 16.350 -0.534 -15.833
137 HA ALA 16 HA ALA 16 16.745 -1.321 -18.619
138 HB1 ALA 16 1HB ALA 16 14.662 -0.152 -19.064
139 HB2 ALA 16 2HB ALA 16 14.459 -1.293 -17.733
140 HB3 ALA 16 3HB ALA 16 14.615 0.432 -17.400
141 H ASN 17 H ASN 17 17.777 1.060 -16.492
142 HA ASN 17 HA ASN 17 17.944 3.193 -18.448
143 HB2 ASN 17 2HB ASN 17 18.434 2.911 -15.542
144 HB3 ASN 17 3HB ASN 17 19.444 4.085 -16.380
145 HD21 ASN 17 1HD2 ASN 17 16.204 3.290 -17.384
146 HD22 ASN 17 2HD2 ASN 17 15.489 4.804 -16.960
147 H GLY 18 H GLY 18 19.726 0.461 -17.697
148 HA2 GLY 18 2HA GLY 18 21.590 0.049 -19.278
149 HA3 GLY 18 3HA GLY 18 22.162 1.659 -18.868
150 H GLN 19 H GLN 19 20.941 -0.886 -16.723
151 HA GLN 19 HA GLN 19 22.728 -0.536 -14.680
152 HB2 GLN 19 2HB GLN 19 20.979 -1.984 -14.190
153 HB3 GLN 19 3HB GLN 19 21.218 -2.930 -15.653
154 HG2 GLN 19 2HG GLN 19 22.948 -4.151 -14.745
155 HG3 GLN 19 3HG GLN 19 23.314 -2.924 -13.533
156 HE21 GLN 19 1HE2 GLN 19 23.208 -4.254 -11.779
157 HE22 GLN 19 2HE2 GLN 19 21.747 -4.996 -11.232
158 H ILE 20 H ILE 20 23.285 -2.026 -17.752
159 HA ILE 20 HA ILE 20 26.018 -2.721 -16.892
160 HB ILE 20 HB ILE 20 24.878 -4.047 -19.292
161 HG12 ILE 20 2HG1 ILE 20 24.111 -5.876 -17.537
162 HG13 ILE 20 3HG1 ILE 20 23.917 -4.472 -16.495
163 HG21 ILE 20 1HG2 ILE 20 26.153 -5.921 -17.774
164 HG22 ILE 20 2HG2 ILE 20 26.912 -4.944 -19.029
165 HG23 ILE 20 3HG2 ILE 20 27.019 -4.447 -17.341
166 HD11 ILE 20 3HD1 ILE 20 21.846 -4.499 -17.368
167 HD12 ILE 20 1HD1 ILE 20 22.626 -3.589 -18.662
168 HD13 ILE 20 2HD1 ILE 20 22.357 -5.324 -18.841
169 H ALA 21 H ALA 21 24.122 -0.768 -18.858
170 HA ALA 21 HA ALA 21 26.311 -0.317 -20.770
171 HB1 ALA 21 1HB ALA 21 23.438 -0.349 -21.022
172 HB2 ALA 21 2HB ALA 21 24.111 1.176 -21.600
173 HB3 ALA 21 3HB ALA 21 24.678 -0.351 -22.277
174 HA PRO 22 HA PRO 22 27.251 3.685 -19.237
175 HB2 PRO 22 2HB PRO 22 27.469 5.190 -21.486
176 HB3 PRO 22 3HB PRO 22 28.659 3.964 -21.030
177 HG2 PRO 22 2HG PRO 22 26.407 3.781 -22.994
178 HG3 PRO 22 3HG PRO 22 28.074 3.195 -23.146
179 HD2 PRO 22 2HD PRO 22 26.008 1.562 -22.515
180 HD3 PRO 22 3HD PRO 22 27.654 1.299 -21.904
181 H GLU 23 H GLU 23 24.306 3.104 -20.740
182 HA GLU 23 HA GLU 23 23.223 5.697 -20.953
183 HB2 GLU 23 2HB GLU 23 22.057 2.949 -20.711
184 HB3 GLU 23 3HB GLU 23 21.003 4.351 -20.592
185 HG2 GLU 23 2HG GLU 23 22.604 4.792 -22.844
186 HG3 GLU 23 3HG GLU 23 22.117 3.100 -22.917
187 H ASN 24 H ASN 24 23.503 3.454 -18.270
188 HA ASN 24 HA ASN 24 21.721 4.528 -16.459
189 HB2 ASN 24 2HB ASN 24 23.783 2.646 -16.380
190 HB3 ASN 24 3HB ASN 24 24.224 3.837 -15.160
191 HD21 ASN 24 1HD2 ASN 24 21.359 2.081 -16.300
192 HD22 ASN 24 2HD2 ASN 24 20.736 1.737 -14.725
193 H GLY 25 H GLY 25 21.489 6.664 -16.148
194 HA2 GLY 25 2HA GLY 25 22.366 8.424 -14.640
195 HA3 GLY 25 3HA GLY 25 23.916 8.194 -15.436
196 H THR 26 H THR 26 21.360 7.938 -17.611
197 HA THR 26 HA THR 26 22.019 10.547 -18.733
198 HB THR 26 HB THR 26 20.250 8.404 -19.922
199 HG1 THR 26 HG1 THR 26 23.042 8.891 -20.243
200 HG21 THR 26 3HG2 THR 26 20.360 9.579 -21.927
201 HG22 THR 26 1HG2 THR 26 21.779 10.498 -21.427
202 HG23 THR 26 2HG2 THR 26 20.200 10.867 -20.734
203 H GLN 27 H GLN 27 19.062 8.688 -18.003
204 HA GLN 27 HA GLN 27 17.626 11.247 -17.760
205 HB2 GLN 27 2HB GLN 27 15.562 9.866 -18.134
206 HB3 GLN 27 3HB GLN 27 16.656 9.942 -19.509
207 HG2 GLN 27 2HG GLN 27 17.437 7.743 -19.128
208 HG3 GLN 27 3HG GLN 27 16.657 7.668 -17.549
209 HE21 GLN 27 1HE2 GLN 27 15.855 8.208 -20.962
210 HE22 GLN 27 2HE2 GLN 27 14.384 7.303 -20.938
211 H THR 28 H THR 28 18.920 8.732 -15.995
212 HA THR 28 HA THR 28 17.051 8.163 -14.027
213 HB THR 28 HB THR 28 19.483 8.302 -12.659
214 HG1 THR 28 HG1 THR 28 20.421 8.772 -14.774
215 HG21 THR 28 3HG2 THR 28 19.069 6.113 -12.377
216 HG22 THR 28 1HG2 THR 28 19.019 5.805 -14.113
217 HG23 THR 28 2HG2 THR 28 17.589 6.420 -13.284
218 HA PRO 29 HA PRO 29 16.550 11.754 -11.553
219 HB2 PRO 29 2HB PRO 29 16.432 10.712 -9.049
220 HB3 PRO 29 3HB PRO 29 15.131 10.523 -10.231
221 HG2 PRO 29 2HG PRO 29 17.296 8.599 -9.472
222 HG3 PRO 29 3HG PRO 29 15.572 8.290 -9.752
223 HD2 PRO 29 2HD PRO 29 17.468 7.760 -11.611
224 HD3 PRO 29 3HD PRO 29 15.821 8.261 -12.043
225 H SER 30 H SER 30 18.982 12.074 -12.270
226 HA SER 30 HA SER 30 21.102 11.634 -10.534
227 HB2 SER 30 2HB SER 30 22.317 12.949 -11.949
228 HB3 SER 30 3HB SER 30 20.886 12.778 -12.966
229 HG SER 30 HG SER 30 20.266 14.789 -12.467
230 HA PRO 31 HA PRO 31 20.550 14.302 -7.094
231 HB2 PRO 31 2HB PRO 31 23.112 15.018 -6.554
232 HB3 PRO 31 3HB PRO 31 22.479 13.399 -6.233
233 HG2 PRO 31 2HG PRO 31 24.119 14.368 -8.542
234 HG3 PRO 31 3HG PRO 31 24.274 12.867 -7.612
235 HD2 PRO 31 2HD PRO 31 23.069 12.961 -10.035
236 HD3 PRO 31 3HD PRO 31 22.567 11.829 -8.763
237 HA PRO 32 HA PRO 32 20.460 18.551 -8.221
238 HB2 PRO 32 2HB PRO 32 21.038 19.805 -5.884
239 HB3 PRO 32 3HB PRO 32 19.501 18.984 -6.179
240 HG2 PRO 32 2HG PRO 32 21.912 18.014 -4.694
241 HG3 PRO 32 3HG PRO 32 20.198 17.864 -4.264
242 HD2 PRO 32 2HD PRO 32 21.605 15.834 -5.374
243 HD3 PRO 32 3HD PRO 32 19.872 16.071 -5.676
244 H SER 33 H SER 33 21.838 19.783 -9.327
245 HA SER 33 HA SER 33 24.679 19.496 -8.955
246 HB2 SER 33 2HB SER 33 24.564 21.402 -10.811
247 HB3 SER 33 3HB SER 33 24.249 19.712 -11.203
248 HG SER 33 HG SER 33 22.349 20.338 -11.809
249 H GLU 34 H GLU 34 22.220 21.769 -8.059
250 HA GLU 34 HA GLU 34 23.983 23.959 -7.527
251 HB2 GLU 34 2HB GLU 34 21.192 23.472 -6.473
252 HB3 GLU 34 3HB GLU 34 22.054 25.005 -6.471
253 HG2 GLU 34 2HG GLU 34 21.443 25.460 -8.555
254 HG3 GLU 34 3HG GLU 34 21.900 23.855 -9.123
255 H LYS 35 H LYS 35 22.892 21.177 -5.769
256 HA LYS 35 HA LYS 35 24.102 22.213 -3.298
257 HB2 LYS 35 2HB LYS 35 21.675 21.043 -3.622
258 HB3 LYS 35 3HB LYS 35 22.656 19.637 -3.229
259 HG2 LYS 35 2HG LYS 35 23.472 20.934 -1.217
260 HG3 LYS 35 3HG LYS 35 22.191 22.096 -1.569
261 HD2 LYS 35 2HD LYS 35 20.516 20.618 -1.024
262 HD3 LYS 35 3HD LYS 35 21.501 19.201 -1.393
263 HE2 LYS 35 2HE LYS 35 22.851 19.653 0.620
264 HE3 LYS 35 3HE LYS 35 21.803 21.019 0.996
265 HZ1 LYS 35 3HZ LYS 35 20.907 18.195 0.787
266 HZ2 LYS 35 1HZ LYS 35 19.946 19.518 1.221
267 HZ3 LYS 35 2HZ LYS 35 21.202 19.016 2.237
Start of MODEL 3
1 H1 LYS 1 H LYS 1 1.544 -0.664 0.747
2 HA LYS 1 HA LYS 1 2.486 -1.682 -1.325
3 HB2 LYS 1 2HB LYS 1 -0.062 -0.701 -2.236
4 HB3 LYS 1 3HB LYS 1 1.225 -0.023 -3.226
5 HG2 LYS 1 2HG LYS 1 0.977 -1.917 -4.398
6 HG3 LYS 1 3HG LYS 1 1.994 -2.608 -3.131
7 HD2 LYS 1 2HD LYS 1 0.202 -4.090 -3.252
8 HD3 LYS 1 3HD LYS 1 -0.225 -3.047 -1.893
9 HE2 LYS 1 2HE LYS 1 -1.184 -1.925 -4.361
10 HE3 LYS 1 3HE LYS 1 -1.746 -3.587 -4.187
11 HZ1 LYS 1 3HZ LYS 1 -2.581 -1.246 -2.794
12 HZ2 LYS 1 1HZ LYS 1 -2.103 -2.459 -1.716
13 HZ3 LYS 1 2HZ LYS 1 -3.308 -2.773 -2.860
14 H VAL 2 H VAL 2 4.156 -0.482 -0.275
15 HA VAL 2 HA VAL 2 4.878 1.907 -1.738
16 HB VAL 2 HB VAL 2 4.433 1.987 1.245
17 HG11 VAL 2 1HG1 VAL 2 5.385 4.288 1.111
18 HG12 VAL 2 2HG1 VAL 2 6.565 3.003 0.843
19 HG13 VAL 2 3HG1 VAL 2 5.927 3.915 -0.525
20 HG21 VAL 2 3HG2 VAL 2 3.332 3.619 -1.040
21 HG22 VAL 2 1HG2 VAL 2 2.449 2.471 -0.034
22 HG23 VAL 2 2HG2 VAL 2 3.060 3.969 0.668
23 H GLY 3 H GLY 3 5.644 -0.381 0.846
24 HA2 GLY 3 2HA GLY 3 8.450 0.199 0.839
25 HA3 GLY 3 3HA GLY 3 7.668 -1.160 1.632
26 H PHE 4 H PHE 4 6.470 -1.528 -1.275
27 HA PHE 4 HA PHE 4 8.483 -3.470 -2.038
28 HB2 PHE 4 2HB PHE 4 5.974 -2.922 -3.595
29 HB3 PHE 4 3HB PHE 4 6.856 -4.435 -3.415
30 HD1 PHE 4 HD1 PHE 4 4.646 -2.044 -1.670
31 HD2 PHE 4 HD2 PHE 4 6.338 -5.950 -1.692
32 HE1 PHE 4 HE1 PHE 4 3.116 -2.714 0.137
33 HE2 PHE 4 HE2 PHE 4 4.810 -6.626 0.114
34 HZ PHE 4 HZ PHE 4 3.196 -5.007 1.030
35 H PHE 5 H PHE 5 7.014 -0.533 -3.343
36 HA PHE 5 HA PHE 5 8.402 -0.598 -5.821
37 HB2 PHE 5 2HB PHE 5 7.287 1.849 -4.445
38 HB3 PHE 5 3HB PHE 5 7.561 1.622 -6.169
39 HD1 PHE 5 HD2 PHE 5 5.477 0.578 -3.309
40 HD2 PHE 5 HD1 PHE 5 5.946 0.584 -7.540
41 HE1 PHE 5 HE2 PHE 5 3.168 -0.234 -3.563
42 HE2 PHE 5 HE1 PHE 5 3.638 -0.228 -7.800
43 HZ PHE 5 HZ PHE 5 2.246 -0.639 -5.811
44 H LYS 6 H LYS 6 9.125 0.695 -2.654
45 HA LYS 6 HA LYS 6 11.176 2.464 -3.255
46 HB2 LYS 6 2HB LYS 6 11.733 2.399 -1.005
47 HB3 LYS 6 3HB LYS 6 10.062 1.851 -0.982
48 HG2 LYS 6 2HG LYS 6 11.066 -0.518 -1.091
49 HG3 LYS 6 3HG LYS 6 12.568 0.266 -0.596
50 HD2 LYS 6 2HD LYS 6 10.235 1.061 0.983
51 HD3 LYS 6 3HD LYS 6 10.629 -0.655 1.101
52 HE2 LYS 6 2HE LYS 6 12.594 -0.268 2.166
53 HE3 LYS 6 3HE LYS 6 12.892 1.238 1.298
54 HZ1 LYS 6 3HZ LYS 6 10.796 1.936 2.766
55 HZ2 LYS 6 1HZ LYS 6 12.393 2.119 3.293
56 HZ3 LYS 6 2HZ LYS 6 11.483 0.787 3.799
57 H ARG 7 H ARG 7 11.185 -1.032 -3.145
58 HA ARG 7 HA ARG 7 14.055 -1.028 -3.799
59 HB2 ARG 7 2HB ARG 7 14.086 -3.364 -3.054
60 HB3 ARG 7 3HB ARG 7 13.513 -2.294 -1.782
61 HG2 ARG 7 2HG ARG 7 11.992 -3.975 -1.597
62 HG3 ARG 7 3HG ARG 7 11.157 -2.945 -2.761
63 HD2 ARG 7 2HD ARG 7 11.105 -4.646 -4.186
64 HD3 ARG 7 3HD ARG 7 12.868 -4.626 -4.240
65 HE ARG 7 HE ARG 7 11.902 -6.037 -1.964
66 HH11 ARG 7 1HH1 ARG 7 12.427 -6.304 -5.395
67 HH12 ARG 7 2HH1 ARG 7 12.595 -8.029 -5.367
68 HH21 ARG 7 1HH2 ARG 7 12.122 -8.306 -1.913
69 HH22 ARG 7 2HH2 ARG 7 12.421 -9.166 -3.386
70 H GLN 8 H GLN 8 10.921 -1.661 -4.997
71 HA GLN 8 HA GLN 8 11.853 -3.411 -7.127
72 HB2 GLN 8 2HB GLN 8 9.668 -3.810 -6.004
73 HB3 GLN 8 3HB GLN 8 9.091 -2.280 -6.652
74 HG2 GLN 8 2HG GLN 8 10.088 -3.699 -8.844
75 HG3 GLN 8 3HG GLN 8 9.183 -4.869 -7.884
76 HE21 GLN 8 1HE2 GLN 8 8.981 -1.705 -9.419
77 HE22 GLN 8 2HE2 GLN 8 7.275 -1.743 -9.691
78 H TYR 9 H TYR 9 10.411 -0.188 -6.763
79 HA TYR 9 HA TYR 9 10.417 0.470 -9.503
80 HB2 TYR 9 2HB TYR 9 9.076 1.692 -7.850
81 HB3 TYR 9 3HB TYR 9 10.546 2.301 -7.097
82 HD1 TYR 9 HD2 TYR 9 12.136 3.668 -8.657
83 HD2 TYR 9 HD1 TYR 9 8.021 2.964 -9.478
84 HE1 TYR 9 HE2 TYR 9 12.112 5.608 -10.168
85 HE2 TYR 9 HE1 TYR 9 7.986 4.901 -10.993
86 HH TYR 9 HH TYR 9 10.012 7.265 -11.003
87 H LYS 10 H LYS 10 12.775 1.031 -6.924
88 HA LYS 10 HA LYS 10 14.583 2.532 -8.520
89 HB2 LYS 10 2HB LYS 10 15.308 0.914 -6.080
90 HB3 LYS 10 3HB LYS 10 16.104 2.357 -6.693
91 HG2 LYS 10 2HG LYS 10 13.312 2.276 -5.570
92 HG3 LYS 10 3HG LYS 10 14.752 2.784 -4.684
93 HD2 LYS 10 2HD LYS 10 14.019 4.080 -7.285
94 HD3 LYS 10 3HD LYS 10 13.248 4.585 -5.780
95 HE2 LYS 10 2HE LYS 10 15.046 5.745 -5.163
96 HE3 LYS 10 3HE LYS 10 16.111 4.373 -5.468
97 HZ1 LYS 10 3HZ LYS 10 16.900 5.814 -7.011
98 HZ2 LYS 10 1HZ LYS 10 15.423 6.616 -7.208
99 HZ3 LYS 10 2HZ LYS 10 15.675 5.115 -7.946
100 H GLU 11 H GLU 11 14.171 -0.887 -7.860
101 HA GLU 11 HA GLU 11 16.655 -1.673 -9.056
102 HB2 GLU 11 2HB GLU 11 14.249 -3.094 -8.001
103 HB3 GLU 11 3HB GLU 11 15.348 -3.970 -9.058
104 HG2 GLU 11 2HG GLU 11 16.101 -2.604 -6.484
105 HG3 GLU 11 3HG GLU 11 15.866 -4.337 -6.706
106 H MET 12 H MET 12 13.324 -1.353 -10.122
107 HA MET 12 HA MET 12 13.780 -2.610 -12.664
108 HB2 MET 12 2HB MET 12 11.535 -2.397 -13.007
109 HB3 MET 12 3HB MET 12 11.550 -2.223 -11.257
110 HG2 MET 12 2HG MET 12 11.673 0.269 -11.633
111 HG3 MET 12 3HG MET 12 11.329 -0.063 -13.328
112 HE1 MET 12 3HE MET 12 9.514 -0.621 -14.321
113 HE2 MET 12 1HE MET 12 7.956 -1.149 -13.685
114 HE3 MET 12 2HE MET 12 8.332 0.571 -13.778
115 H MET 13 H MET 13 14.219 0.530 -11.356
116 HA MET 13 HA MET 13 14.149 1.877 -13.920
117 HB2 MET 13 2HB MET 13 14.306 2.667 -11.098
118 HB3 MET 13 3HB MET 13 15.288 3.655 -12.170
119 HG2 MET 13 2HG MET 13 12.883 3.445 -13.504
120 HG3 MET 13 3HG MET 13 12.415 3.589 -11.811
121 HE1 MET 13 3HE MET 13 13.938 5.962 -14.901
122 HE2 MET 13 1HE MET 13 12.403 5.126 -14.666
123 HE3 MET 13 2HE MET 13 12.524 6.854 -14.338
124 H GLU 14 H GLU 14 16.537 0.695 -11.622
125 HA GLU 14 HA GLU 14 18.775 1.848 -12.991
126 HB2 GLU 14 2HB GLU 14 18.313 0.357 -10.561
127 HB3 GLU 14 3HB GLU 14 19.685 -0.307 -11.437
128 HG2 GLU 14 2HG GLU 14 20.950 1.564 -11.166
129 HG3 GLU 14 3HG GLU 14 19.551 2.635 -11.097
130 H GLU 15 H GLU 15 16.971 -1.107 -13.214
131 HA GLU 15 HA GLU 15 18.974 -2.544 -14.692
132 HB2 GLU 15 2HB GLU 15 17.398 -4.300 -14.846
133 HB3 GLU 15 3HB GLU 15 17.153 -3.583 -13.260
134 HG2 GLU 15 2HG GLU 15 14.993 -3.658 -13.855
135 HG3 GLU 15 3HG GLU 15 15.383 -2.154 -14.687
136 H ALA 16 H ALA 16 16.246 -0.494 -15.437
137 HA ALA 16 HA ALA 16 16.463 -1.087 -18.290
138 HB1 ALA 16 1HB ALA 16 14.518 0.712 -16.848
139 HB2 ALA 16 2HB ALA 16 14.444 0.235 -18.545
140 HB3 ALA 16 3HB ALA 16 14.227 -0.974 -17.279
141 H ASN 17 H ASN 17 17.791 1.023 -16.062
142 HA ASN 17 HA ASN 17 17.988 3.311 -17.829
143 HB2 ASN 17 2HB ASN 17 18.640 2.722 -15.007
144 HB3 ASN 17 3HB ASN 17 19.711 3.870 -15.806
145 HD21 ASN 17 1HD2 ASN 17 16.353 3.478 -16.651
146 HD22 ASN 17 2HD2 ASN 17 15.820 5.007 -16.049
147 H GLY 18 H GLY 18 19.623 0.404 -17.421
148 HA2 GLY 18 2HA GLY 18 21.321 0.006 -19.193
149 HA3 GLY 18 3HA GLY 18 22.043 1.529 -18.693
150 H GLN 19 H GLN 19 20.796 -1.127 -16.700
151 HA GLN 19 HA GLN 19 22.733 -1.088 -14.770
152 HB2 GLN 19 2HB GLN 19 20.667 -2.888 -15.592
153 HB3 GLN 19 3HB GLN 19 22.102 -3.822 -15.189
154 HG2 GLN 19 2HG GLN 19 21.196 -1.693 -13.319
155 HG3 GLN 19 3HG GLN 19 20.322 -3.223 -13.370
156 HE21 GLN 19 1HE2 GLN 19 22.641 -1.629 -11.772
157 HE22 GLN 19 2HE2 GLN 19 23.598 -2.951 -11.207
158 H ILE 20 H ILE 20 22.986 -2.299 -18.001
159 HA ILE 20 HA ILE 20 25.722 -3.227 -17.412
160 HB ILE 20 HB ILE 20 24.336 -4.260 -19.826
161 HG12 ILE 20 2HG1 ILE 20 23.587 -6.200 -18.185
162 HG13 ILE 20 3HG1 ILE 20 23.553 -4.888 -17.011
163 HG21 ILE 20 1HG2 ILE 20 25.599 -6.333 -18.581
164 HG22 ILE 20 2HG2 ILE 20 26.325 -5.287 -19.801
165 HG23 ILE 20 3HG2 ILE 20 26.583 -4.955 -18.088
166 HD11 ILE 20 3HD1 ILE 20 22.166 -3.739 -18.982
167 HD12 ILE 20 1HD1 ILE 20 21.785 -5.430 -19.305
168 HD13 ILE 20 2HD1 ILE 20 21.425 -4.730 -17.726
169 H ALA 21 H ALA 21 23.817 -1.000 -19.053
170 HA ALA 21 HA ALA 21 25.898 -0.493 -21.069
171 HB1 ALA 21 1HB ALA 21 23.509 1.111 -21.365
172 HB2 ALA 21 2HB ALA 21 24.280 0.012 -22.510
173 HB3 ALA 21 3HB ALA 21 23.136 -0.613 -21.321
174 HA PRO 22 HA PRO 22 27.162 3.295 -19.251
175 HB2 PRO 22 2HB PRO 22 27.361 4.971 -21.377
176 HB3 PRO 22 3HB PRO 22 28.494 3.645 -21.089
177 HG2 PRO 22 2HG PRO 22 26.141 3.760 -22.936
178 HG3 PRO 22 3HG PRO 22 27.759 3.095 -23.226
179 HD2 PRO 22 2HD PRO 22 25.630 1.535 -22.621
180 HD3 PRO 22 3HD PRO 22 27.285 1.127 -22.124
181 H GLU 23 H GLU 23 24.120 3.026 -20.663
182 HA GLU 23 HA GLU 23 23.181 5.673 -20.610
183 HB2 GLU 23 2HB GLU 23 21.892 2.979 -20.518
184 HB3 GLU 23 3HB GLU 23 20.914 4.396 -20.163
185 HG2 GLU 23 2HG GLU 23 22.576 4.239 -22.647
186 HG3 GLU 23 3HG GLU 23 20.968 3.521 -22.567
187 H ASN 24 H ASN 24 23.517 3.252 -18.099
188 HA ASN 24 HA ASN 24 21.906 4.348 -16.118
189 HB2 ASN 24 2HB ASN 24 23.698 2.235 -16.293
190 HB3 ASN 24 3HB ASN 24 24.405 3.278 -15.062
191 HD21 ASN 24 1HD2 ASN 24 21.387 1.709 -16.011
192 HD22 ASN 24 2HD2 ASN 24 20.803 1.463 -14.403
193 H GLY 25 H GLY 25 21.936 6.474 -15.664
194 HA2 GLY 25 2HA GLY 25 23.049 8.026 -14.101
195 HA3 GLY 25 3HA GLY 25 24.548 7.654 -14.941
196 H THR 26 H THR 26 22.439 7.712 -17.364
197 HA THR 26 HA THR 26 23.119 10.456 -18.058
198 HB THR 26 HB THR 26 21.592 8.580 -19.841
199 HG1 THR 26 HG1 THR 26 24.383 8.589 -19.285
200 HG21 THR 26 3HG2 THR 26 22.836 9.804 -21.595
201 HG22 THR 26 1HG2 THR 26 23.576 10.802 -20.344
202 HG23 THR 26 2HG2 THR 26 21.833 10.868 -20.609
203 H GLN 27 H GLN 27 20.210 8.419 -17.847
204 HA GLN 27 HA GLN 27 18.590 10.877 -17.789
205 HB2 GLN 27 2HB GLN 27 16.730 9.574 -18.596
206 HB3 GLN 27 3HB GLN 27 18.111 9.298 -19.649
207 HG2 GLN 27 2HG GLN 27 18.447 7.270 -17.929
208 HG3 GLN 27 3HG GLN 27 16.694 7.445 -17.850
209 HE21 GLN 27 1HE2 GLN 27 19.149 7.645 -20.410
210 HE22 GLN 27 2HE2 GLN 27 18.350 6.563 -21.494
211 H THR 28 H THR 28 19.841 8.500 -15.842
212 HA THR 28 HA THR 28 17.871 7.663 -14.136
213 HB THR 28 HB THR 28 20.675 7.728 -14.062
214 HG1 THR 28 HG1 THR 28 20.010 5.862 -13.327
215 HG21 THR 28 3HG2 THR 28 21.218 8.368 -11.799
216 HG22 THR 28 1HG2 THR 28 19.534 8.773 -11.468
217 HG23 THR 28 2HG2 THR 28 20.465 9.739 -12.614
218 HA PRO 29 HA PRO 29 16.218 11.131 -12.011
219 HB2 PRO 29 2HB PRO 29 15.741 10.077 -9.555
220 HB3 PRO 29 3HB PRO 29 14.778 9.667 -10.980
221 HG2 PRO 29 2HG PRO 29 17.024 8.148 -9.710
222 HG3 PRO 29 3HG PRO 29 15.481 7.544 -10.341
223 HD2 PRO 29 2HD PRO 29 17.796 7.359 -11.733
224 HD3 PRO 29 3HD PRO 29 16.220 7.566 -12.524
225 H SER 30 H SER 30 18.606 11.940 -12.196
226 HA SER 30 HA SER 30 20.099 11.942 -9.730
227 HB2 SER 30 2HB SER 30 21.665 12.171 -11.351
228 HB3 SER 30 3HB SER 30 20.517 12.868 -12.495
229 HG SER 30 HG SER 30 21.433 14.694 -12.040
230 HA PRO 31 HA PRO 31 18.446 15.538 -7.834
231 HB2 PRO 31 2HB PRO 31 20.658 16.592 -6.665
232 HB3 PRO 31 3HB PRO 31 19.868 15.124 -6.078
233 HG2 PRO 31 2HG PRO 31 22.297 15.408 -7.806
234 HG3 PRO 31 3HG PRO 31 22.017 14.312 -6.440
235 HD2 PRO 31 2HD PRO 31 21.806 13.510 -9.018
236 HD3 PRO 31 3HD PRO 31 20.809 12.823 -7.719
237 HA PRO 32 HA PRO 32 19.002 19.161 -10.263
238 HB2 PRO 32 2HB PRO 32 18.734 21.155 -8.440
239 HB3 PRO 32 3HB PRO 32 17.376 20.163 -8.986
240 HG2 PRO 32 2HG PRO 32 19.010 19.928 -6.488
241 HG3 PRO 32 3HG PRO 32 17.254 19.792 -6.693
242 HD2 PRO 32 2HD PRO 32 18.865 17.628 -6.465
243 HD3 PRO 32 3HD PRO 32 17.383 17.616 -7.441
244 H SER 33 H SER 33 20.280 21.199 -10.495
245 HA SER 33 HA SER 33 23.043 20.665 -10.006
246 HB2 SER 33 2HB SER 33 21.883 23.269 -11.002
247 HB3 SER 33 3HB SER 33 23.491 22.613 -11.306
248 HG SER 33 HG SER 33 22.054 20.776 -12.240
249 H GLU 34 H GLU 34 20.594 22.605 -8.476
250 HA GLU 34 HA GLU 34 22.437 24.187 -6.938
251 HB2 GLU 34 2HB GLU 34 19.450 23.790 -6.791
252 HB3 GLU 34 3HB GLU 34 20.329 24.827 -5.677
253 HG2 GLU 34 2HG GLU 34 20.397 25.171 -8.661
254 HG3 GLU 34 3HG GLU 34 19.245 25.991 -7.608
255 H LYS 35 H LYS 35 20.826 21.141 -6.585
256 HA LYS 35 HA LYS 35 20.920 19.518 -4.995
257 HB2 LYS 35 2HB LYS 35 23.457 20.568 -5.127
258 HB3 LYS 35 3HB LYS 35 23.088 20.698 -3.412
259 HG2 LYS 35 2HG LYS 35 22.478 18.277 -3.441
260 HG3 LYS 35 3HG LYS 35 23.082 18.207 -5.098
261 HD2 LYS 35 2HD LYS 35 25.279 19.010 -4.284
262 HD3 LYS 35 3HD LYS 35 24.657 18.952 -2.633
263 HE2 LYS 35 2HE LYS 35 24.384 16.587 -2.740
264 HE3 LYS 35 3HE LYS 35 24.704 16.568 -4.474
265 HZ1 LYS 35 3HZ LYS 35 26.658 15.844 -3.376
266 HZ2 LYS 35 1HZ LYS 35 26.632 17.145 -2.296
267 HZ3 LYS 35 2HZ LYS 35 26.972 17.410 -3.931
Start of MODEL 4
1 H1 LYS 1 H LYS 1 1.295 -0.597 0.601
2 HA LYS 1 HA LYS 1 2.257 -1.676 -1.437
3 HB2 LYS 1 2HB LYS 1 -0.248 -0.548 -2.425
4 HB3 LYS 1 3HB LYS 1 1.124 -0.151 -3.450
5 HG2 LYS 1 2HG LYS 1 1.501 -2.820 -2.977
6 HG3 LYS 1 3HG LYS 1 -0.257 -2.688 -3.064
7 HD2 LYS 1 2HD LYS 1 0.304 -1.226 -5.189
8 HD3 LYS 1 3HD LYS 1 1.800 -2.162 -5.154
9 HE2 LYS 1 2HE LYS 1 0.779 -4.014 -5.880
10 HE3 LYS 1 3HE LYS 1 -0.578 -3.801 -4.775
11 HZ1 LYS 1 3HZ LYS 1 -0.668 -1.861 -6.833
12 HZ2 LYS 1 1HZ LYS 1 -1.816 -3.035 -6.425
13 HZ3 LYS 1 2HZ LYS 1 -0.572 -3.409 -7.508
14 H VAL 2 H VAL 2 3.935 -0.477 -0.416
15 HA VAL 2 HA VAL 2 4.671 1.893 -1.904
16 HB VAL 2 HB VAL 2 4.228 1.998 1.078
17 HG11 VAL 2 1HG1 VAL 2 5.212 4.287 0.930
18 HG12 VAL 2 2HG1 VAL 2 6.374 2.982 0.683
19 HG13 VAL 2 3HG1 VAL 2 5.759 3.890 -0.699
20 HG21 VAL 2 3HG2 VAL 2 3.160 3.638 -1.217
21 HG22 VAL 2 1HG2 VAL 2 2.256 2.503 -0.216
22 HG23 VAL 2 2HG2 VAL 2 2.883 3.993 0.488
23 H GLY 3 H GLY 3 5.431 -0.375 0.700
24 HA2 GLY 3 2HA GLY 3 8.231 0.184 0.718
25 HA3 GLY 3 3HA GLY 3 7.443 -1.200 1.460
26 H PHE 4 H PHE 4 6.268 -1.524 -1.446
27 HA PHE 4 HA PHE 4 8.298 -3.426 -2.248
28 HB2 PHE 4 2HB PHE 4 5.806 -2.833 -3.818
29 HB3 PHE 4 3HB PHE 4 6.689 -4.350 -3.677
30 HD1 PHE 4 HD2 PHE 4 4.474 -2.014 -1.860
31 HD2 PHE 4 HD1 PHE 4 6.139 -5.928 -2.029
32 HE1 PHE 4 HE2 PHE 4 2.927 -2.745 -0.092
33 HE2 PHE 4 HE1 PHE 4 4.594 -6.665 -0.262
34 HZ PHE 4 HZ PHE 4 2.986 -5.072 0.710
35 H PHE 5 H PHE 5 6.829 -0.466 -3.508
36 HA PHE 5 HA PHE 5 8.227 -0.453 -5.969
37 HB2 PHE 5 2HB PHE 5 7.147 1.950 -4.488
38 HB3 PHE 5 3HB PHE 5 7.444 1.810 -6.218
39 HD1 PHE 5 HD2 PHE 5 5.316 0.606 -3.450
40 HD2 PHE 5 HD1 PHE 5 5.821 0.914 -7.665
41 HE1 PHE 5 HE2 PHE 5 3.000 -0.156 -3.780
42 HE2 PHE 5 HE1 PHE 5 3.506 0.153 -8.001
43 HZ PHE 5 HZ PHE 5 2.092 -0.384 -6.057
44 H LYS 6 H LYS 6 8.974 0.746 -2.765
45 HA LYS 6 HA LYS 6 11.062 2.482 -3.313
46 HB2 LYS 6 2HB LYS 6 10.577 0.620 -0.993
47 HB3 LYS 6 3HB LYS 6 11.947 1.722 -1.035
48 HG2 LYS 6 2HG LYS 6 9.045 2.514 -1.169
49 HG3 LYS 6 3HG LYS 6 10.097 2.651 0.242
50 HD2 LYS 6 2HD LYS 6 11.603 4.077 -1.277
51 HD3 LYS 6 3HD LYS 6 10.198 4.179 -2.341
52 HE2 LYS 6 2HE LYS 6 9.044 5.510 -0.909
53 HE3 LYS 6 3HE LYS 6 9.746 4.762 0.524
54 HZ1 LYS 6 3HZ LYS 6 10.390 7.195 -0.326
55 HZ2 LYS 6 1HZ LYS 6 11.575 6.294 -1.130
56 HZ3 LYS 6 2HZ LYS 6 11.448 6.212 0.554
57 H ARG 7 H ARG 7 11.012 -1.021 -3.283
58 HA ARG 7 HA ARG 7 13.881 -1.054 -3.938
59 HB2 ARG 7 2HB ARG 7 12.169 -3.387 -3.070
60 HB3 ARG 7 3HB ARG 7 13.921 -3.354 -3.224
61 HG2 ARG 7 2HG ARG 7 12.292 -1.789 -1.232
62 HG3 ARG 7 3HG ARG 7 13.238 -3.240 -0.896
63 HD2 ARG 7 2HD ARG 7 15.200 -1.852 -1.907
64 HD3 ARG 7 3HD ARG 7 14.166 -0.473 -1.536
65 HE ARG 7 HE ARG 7 14.619 -0.773 0.688
66 HH11 ARG 7 1HH1 ARG 7 15.567 -3.625 -1.069
67 HH12 ARG 7 2HH1 ARG 7 16.355 -4.358 0.289
68 HH21 ARG 7 1HH2 ARG 7 15.653 -1.728 2.483
69 HH22 ARG 7 2HH2 ARG 7 16.403 -3.279 2.309
70 H GLN 8 H GLN 8 10.735 -1.596 -5.175
71 HA GLN 8 HA GLN 8 11.651 -3.261 -7.375
72 HB2 GLN 8 2HB GLN 8 8.954 -2.200 -6.554
73 HB3 GLN 8 3HB GLN 8 9.206 -3.007 -8.097
74 HG2 GLN 8 2HG GLN 8 10.066 -4.343 -5.573
75 HG3 GLN 8 3HG GLN 8 8.365 -4.346 -6.036
76 HE21 GLN 8 1HE2 GLN 8 7.684 -5.664 -7.638
77 HE22 GLN 8 2HE2 GLN 8 8.706 -6.769 -8.487
78 H TYR 9 H TYR 9 10.277 -0.023 -6.892
79 HA TYR 9 HA TYR 9 10.323 0.751 -9.599
80 HB2 TYR 9 2HB TYR 9 9.010 1.939 -7.898
81 HB3 TYR 9 3HB TYR 9 10.493 2.477 -7.119
82 HD1 TYR 9 HD2 TYR 9 12.125 3.859 -8.623
83 HD2 TYR 9 HD1 TYR 9 7.992 3.307 -9.471
84 HE1 TYR 9 HE2 TYR 9 12.157 5.858 -10.055
85 HE2 TYR 9 HE1 TYR 9 8.013 5.304 -10.906
86 HH TYR 9 HH TYR 9 10.111 7.607 -10.821
87 H LYS 10 H LYS 10 12.682 1.142 -6.989
88 HA LYS 10 HA LYS 10 14.537 2.675 -8.476
89 HB2 LYS 10 2HB LYS 10 15.986 2.436 -6.658
90 HB3 LYS 10 3HB LYS 10 14.390 2.321 -5.926
91 HG2 LYS 10 2HG LYS 10 14.606 -0.158 -6.007
92 HG3 LYS 10 3HG LYS 10 16.270 0.058 -6.557
93 HD2 LYS 10 2HD LYS 10 15.411 1.483 -4.092
94 HD3 LYS 10 3HD LYS 10 15.676 -0.259 -3.995
95 HE2 LYS 10 2HE LYS 10 17.906 0.345 -5.253
96 HE3 LYS 10 3HE LYS 10 17.615 1.936 -4.551
97 HZ1 LYS 10 3HZ LYS 10 18.103 1.210 -2.501
98 HZ2 LYS 10 1HZ LYS 10 18.906 -0.044 -3.304
99 HZ3 LYS 10 2HZ LYS 10 17.339 -0.284 -2.714
100 H GLU 11 H GLU 11 13.989 -0.764 -8.135
101 HA GLU 11 HA GLU 11 16.453 -1.542 -9.379
102 HB2 GLU 11 2HB GLU 11 14.015 -2.921 -8.391
103 HB3 GLU 11 3HB GLU 11 14.953 -3.751 -9.625
104 HG2 GLU 11 2HG GLU 11 16.919 -3.692 -8.238
105 HG3 GLU 11 3HG GLU 11 16.075 -2.728 -7.028
106 H MET 12 H MET 12 13.151 -0.978 -10.435
107 HA MET 12 HA MET 12 13.581 -2.012 -13.080
108 HB2 MET 12 2HB MET 12 11.354 -0.587 -11.683
109 HB3 MET 12 3HB MET 12 11.351 -0.657 -13.440
110 HG2 MET 12 2HG MET 12 11.362 -3.068 -13.386
111 HG3 MET 12 3HG MET 12 11.497 -3.054 -11.629
112 HE1 MET 12 3HE MET 12 9.843 -4.321 -10.914
113 HE2 MET 12 1HE MET 12 8.113 -3.979 -10.904
114 HE3 MET 12 2HE MET 12 8.834 -4.836 -12.266
115 H MET 13 H MET 13 14.107 0.985 -11.481
116 HA MET 13 HA MET 13 14.145 2.553 -13.915
117 HB2 MET 13 2HB MET 13 13.400 3.477 -11.705
118 HB3 MET 13 3HB MET 13 15.064 3.352 -11.150
119 HG2 MET 13 2HG MET 13 15.369 5.405 -11.914
120 HG3 MET 13 3HG MET 13 15.246 4.738 -13.540
121 HE1 MET 13 3HE MET 13 12.588 6.506 -15.073
122 HE2 MET 13 1HE MET 13 13.974 5.416 -15.107
123 HE3 MET 13 2HE MET 13 12.357 4.775 -14.819
124 H GLU 14 H GLU 14 16.438 1.077 -11.694
125 HA GLU 14 HA GLU 14 18.745 2.262 -12.916
126 HB2 GLU 14 2HB GLU 14 20.029 0.977 -11.404
127 HB3 GLU 14 3HB GLU 14 18.577 1.429 -10.522
128 HG2 GLU 14 2HG GLU 14 18.504 -0.730 -9.967
129 HG3 GLU 14 3HG GLU 14 17.822 -0.948 -11.577
130 H GLU 15 H GLU 15 16.823 -0.569 -13.452
131 HA GLU 15 HA GLU 15 18.806 -1.961 -15.003
132 HB2 GLU 15 2HB GLU 15 17.141 -3.614 -15.375
133 HB3 GLU 15 3HB GLU 15 16.934 -3.065 -13.718
134 HG2 GLU 15 2HG GLU 15 15.059 -1.689 -14.368
135 HG3 GLU 15 3HG GLU 15 15.296 -2.123 -16.060
136 H ALA 16 H ALA 16 16.163 0.244 -15.624
137 HA ALA 16 HA ALA 16 16.424 -0.099 -18.511
138 HB1 ALA 16 1HB ALA 16 14.177 0.043 -17.528
139 HB2 ALA 16 2HB ALA 16 14.543 1.670 -16.953
140 HB3 ALA 16 3HB ALA 16 14.480 1.340 -18.684
141 H ASN 17 H ASN 17 17.775 1.768 -16.072
142 HA ASN 17 HA ASN 17 18.146 4.165 -17.657
143 HB2 ASN 17 2HB ASN 17 18.663 3.343 -14.865
144 HB3 ASN 17 3HB ASN 17 19.809 4.498 -15.539
145 HD21 ASN 17 1HD2 ASN 17 16.481 4.329 -16.547
146 HD22 ASN 17 2HD2 ASN 17 15.985 5.827 -15.842
147 H GLY 18 H GLY 18 19.622 1.161 -17.424
148 HA2 GLY 18 2HA GLY 18 21.371 0.809 -19.150
149 HA3 GLY 18 3HA GLY 18 22.140 2.257 -18.518
150 H GLN 19 H GLN 19 20.697 -0.451 -16.744
151 HA GLN 19 HA GLN 19 22.577 -0.639 -14.765
152 HB2 GLN 19 2HB GLN 19 20.672 -1.935 -14.434
153 HB3 GLN 19 3HB GLN 19 20.776 -2.673 -16.028
154 HG2 GLN 19 2HG GLN 19 22.375 -4.195 -15.370
155 HG3 GLN 19 3HG GLN 19 22.902 -3.209 -14.007
156 HE21 GLN 19 1HE2 GLN 19 22.668 -4.701 -12.423
157 HE22 GLN 19 2HE2 GLN 19 21.150 -5.379 -11.950
158 H ILE 20 H ILE 20 22.854 -1.663 -18.058
159 HA ILE 20 HA ILE 20 25.511 -2.791 -17.458
160 HB ILE 20 HB ILE 20 24.140 -3.575 -19.974
161 HG12 ILE 20 2HG1 ILE 20 23.227 -5.569 -18.487
162 HG13 ILE 20 3HG1 ILE 20 23.235 -4.337 -17.230
163 HG21 ILE 20 1HG2 ILE 20 26.068 -4.718 -19.962
164 HG22 ILE 20 2HG2 ILE 20 26.283 -4.524 -18.223
165 HG23 ILE 20 3HG2 ILE 20 25.238 -5.801 -18.845
166 HD11 ILE 20 3HD1 ILE 20 21.511 -4.620 -19.603
167 HD12 ILE 20 1HD1 ILE 20 21.142 -4.007 -17.991
168 HD13 ILE 20 2HD1 ILE 20 21.979 -2.980 -19.156
169 H ALA 21 H ALA 21 23.793 -0.350 -19.001
170 HA ALA 21 HA ALA 21 25.968 0.161 -20.915
171 HB1 ALA 21 1HB ALA 21 23.783 1.958 -21.275
172 HB2 ALA 21 2HB ALA 21 24.387 0.713 -22.370
173 HB3 ALA 21 3HB ALA 21 23.159 0.311 -21.169
174 HA PRO 22 HA PRO 22 27.373 3.750 -18.819
175 HB2 PRO 22 2HB PRO 22 27.727 5.548 -20.822
176 HB3 PRO 22 3HB PRO 22 28.778 4.145 -20.593
177 HG2 PRO 22 2HG PRO 22 26.493 4.509 -22.491
178 HG3 PRO 22 3HG PRO 22 28.081 3.777 -22.781
179 HD2 PRO 22 2HD PRO 22 25.855 2.301 -22.339
180 HD3 PRO 22 3HD PRO 22 27.469 1.770 -21.826
181 H GLU 23 H GLU 23 24.362 3.731 -20.305
182 HA GLU 23 HA GLU 23 23.564 6.420 -20.111
183 HB2 GLU 23 2HB GLU 23 22.132 3.799 -20.225
184 HB3 GLU 23 3HB GLU 23 21.221 5.244 -19.806
185 HG2 GLU 23 2HG GLU 23 22.934 5.543 -22.158
186 HG3 GLU 23 3HG GLU 23 21.656 4.342 -22.331
187 H ASN 24 H ASN 24 23.668 3.817 -17.760
188 HA ASN 24 HA ASN 24 22.071 4.865 -15.752
189 HB2 ASN 24 2HB ASN 24 23.784 2.692 -16.016
190 HB3 ASN 24 3HB ASN 24 24.483 3.620 -14.693
191 HD21 ASN 24 1HD2 ASN 24 21.419 2.294 -15.854
192 HD22 ASN 24 2HD2 ASN 24 20.776 1.945 -14.289
193 H GLY 25 H GLY 25 22.180 6.954 -15.162
194 HA2 GLY 25 2HA GLY 25 23.315 8.352 -13.473
195 HA3 GLY 25 3HA GLY 25 24.819 7.967 -14.297
196 H THR 26 H THR 26 22.776 8.276 -16.761
197 HA THR 26 HA THR 26 23.598 11.023 -17.261
198 HB THR 26 HB THR 26 22.875 10.660 -19.554
199 HG1 THR 26 HG1 THR 26 21.152 9.350 -19.537
200 HG21 THR 26 3HG2 THR 26 24.517 8.439 -18.353
201 HG22 THR 26 1HG2 THR 26 25.086 9.905 -19.150
202 HG23 THR 26 2HG2 THR 26 24.305 8.636 -20.092
203 H GLN 27 H GLN 27 20.595 9.115 -17.250
204 HA GLN 27 HA GLN 27 19.087 11.637 -17.069
205 HB2 GLN 27 2HB GLN 27 18.762 9.610 -18.877
206 HB3 GLN 27 3HB GLN 27 17.578 9.183 -17.650
207 HG2 GLN 27 2HG GLN 27 16.493 11.310 -17.874
208 HG3 GLN 27 3HG GLN 27 17.749 11.878 -18.973
209 HE21 GLN 27 1HE2 GLN 27 16.166 12.314 -20.543
210 HE22 GLN 27 2HE2 GLN 27 15.448 11.048 -21.473
211 H THR 28 H THR 28 20.176 9.080 -15.255
212 HA THR 28 HA THR 28 18.126 8.232 -13.652
213 HB THR 28 HB THR 28 20.927 8.155 -13.511
214 HG1 THR 28 HG1 THR 28 19.686 6.348 -13.144
215 HG21 THR 28 3HG2 THR 28 21.442 8.621 -11.199
216 HG22 THR 28 1HG2 THR 28 19.771 9.085 -10.880
217 HG23 THR 28 2HG2 THR 28 20.776 10.076 -11.939
218 HA PRO 29 HA PRO 29 16.585 11.633 -11.341
219 HB2 PRO 29 2HB PRO 29 15.997 10.446 -8.971
220 HB3 PRO 29 3HB PRO 29 15.052 10.177 -10.440
221 HG2 PRO 29 2HG PRO 29 17.191 8.471 -9.224
222 HG3 PRO 29 3HG PRO 29 15.637 7.986 -9.927
223 HD2 PRO 29 2HD PRO 29 17.975 7.778 -11.276
224 HD3 PRO 29 3HD PRO 29 16.432 8.112 -12.087
225 H SER 30 H SER 30 19.013 12.334 -11.418
226 HA SER 30 HA SER 30 20.702 12.020 -9.221
227 HB2 SER 30 2HB SER 30 20.468 13.967 -11.451
228 HB3 SER 30 3HB SER 30 21.420 14.475 -10.056
229 HG SER 30 HG SER 30 21.862 12.356 -11.842
230 HA PRO 31 HA PRO 31 18.998 14.438 -5.979
231 HB2 PRO 31 2HB PRO 31 21.242 15.416 -4.804
232 HB3 PRO 31 3HB PRO 31 20.753 13.721 -4.680
233 HG2 PRO 31 2HG PRO 31 22.778 14.981 -6.489
234 HG3 PRO 31 3HG PRO 31 22.883 13.464 -5.577
235 HD2 PRO 31 2HD PRO 31 22.308 13.537 -8.222
236 HD3 PRO 31 3HD PRO 31 21.652 12.296 -7.136
237 HA PRO 32 HA PRO 32 18.668 18.699 -7.016
238 HB2 PRO 32 2HB PRO 32 18.496 19.897 -4.586
239 HB3 PRO 32 3HB PRO 32 17.191 18.921 -5.270
240 HG2 PRO 32 2HG PRO 32 19.263 18.162 -3.247
241 HG3 PRO 32 3HG PRO 32 17.528 17.796 -3.263
242 HD2 PRO 32 2HD PRO 32 19.403 15.996 -4.023
243 HD3 PRO 32 3HD PRO 32 17.781 16.048 -4.744
244 H SER 33 H SER 33 21.146 17.888 -4.642
245 HA SER 33 HA SER 33 22.537 20.334 -4.683
246 HB2 SER 33 2HB SER 33 23.591 17.547 -4.141
247 HB3 SER 33 3HB SER 33 24.427 19.049 -3.747
248 HG SER 33 HG SER 33 22.778 17.782 -2.215
249 H GLU 34 H GLU 34 22.457 17.664 -6.889
250 HA GLU 34 HA GLU 34 24.765 18.725 -8.357
251 HB2 GLU 34 2HB GLU 34 23.548 16.063 -8.060
252 HB3 GLU 34 3HB GLU 34 24.035 16.462 -9.701
253 HG2 GLU 34 2HG GLU 34 26.275 17.154 -8.605
254 HG3 GLU 34 3HG GLU 34 25.715 16.175 -7.251
255 H LYS 35 H LYS 35 21.328 18.326 -8.500
256 HA LYS 35 HA LYS 35 21.014 18.699 -11.301
257 HB2 LYS 35 2HB LYS 35 19.330 17.750 -9.589
258 HB3 LYS 35 3HB LYS 35 18.941 19.431 -9.248
259 HG2 LYS 35 2HG LYS 35 18.858 19.222 -12.025
260 HG3 LYS 35 3HG LYS 35 18.086 17.752 -11.424
261 HD2 LYS 35 2HD LYS 35 16.364 18.894 -10.447
262 HD3 LYS 35 3HD LYS 35 17.343 20.333 -10.151
263 HE2 LYS 35 2HE LYS 35 16.622 19.516 -12.941
264 HE3 LYS 35 3HE LYS 35 15.482 20.421 -11.947
265 HZ1 LYS 35 3HZ LYS 35 18.261 21.325 -12.444
266 HZ2 LYS 35 1HZ LYS 35 16.986 22.216 -11.778
267 HZ3 LYS 35 2HZ LYS 35 16.954 21.788 -13.414
Start of MODEL 5
1 H1 LYS 1 H LYS 1 1.251 -0.593 0.361
2 HA LYS 1 HA LYS 1 2.137 -1.471 -1.795
3 HB2 LYS 1 2HB LYS 1 -0.323 -0.223 -2.617
4 HB3 LYS 1 3HB LYS 1 1.019 0.448 -3.534
5 HG2 LYS 1 2HG LYS 1 0.645 -1.303 -4.881
6 HG3 LYS 1 3HG LYS 1 1.596 -2.184 -3.683
7 HD2 LYS 1 2HD LYS 1 -0.294 -3.514 -3.938
8 HD3 LYS 1 3HD LYS 1 -0.669 -2.563 -2.499
9 HE2 LYS 1 2HE LYS 1 -2.178 -1.208 -3.641
10 HE3 LYS 1 3HE LYS 1 -1.506 -1.622 -5.217
11 HZ1 LYS 1 3HZ LYS 1 -2.544 -3.895 -3.809
12 HZ2 LYS 1 1HZ LYS 1 -2.844 -3.375 -5.391
13 HZ3 LYS 1 2HZ LYS 1 -3.724 -2.720 -4.104
14 H VAL 2 H VAL 2 3.879 -0.501 -0.631
15 HA VAL 2 HA VAL 2 4.789 1.955 -1.859
16 HB VAL 2 HB VAL 2 4.321 1.785 1.117
17 HG11 VAL 2 1HG1 VAL 2 5.440 4.013 1.204
18 HG12 VAL 2 2HG1 VAL 2 6.526 2.675 0.821
19 HG13 VAL 2 3HG1 VAL 2 5.971 3.756 -0.458
20 HG21 VAL 2 3HG2 VAL 2 3.365 3.703 -1.006
21 HG22 VAL 2 1HG2 VAL 2 2.391 2.533 -0.116
22 HG23 VAL 2 2HG2 VAL 2 3.103 3.909 0.726
23 H GLY 3 H GLY 3 5.359 -0.617 0.498
24 HA2 GLY 3 2HA GLY 3 8.201 -0.247 0.555
25 HA3 GLY 3 3HA GLY 3 7.314 -1.614 1.213
26 H PHE 4 H PHE 4 6.120 -1.616 -1.719
27 HA PHE 4 HA PHE 4 7.994 -3.621 -2.658
28 HB2 PHE 4 2HB PHE 4 5.547 -2.745 -4.163
29 HB3 PHE 4 3HB PHE 4 6.314 -4.329 -4.125
30 HD1 PHE 4 HD2 PHE 4 4.267 -1.957 -2.167
31 HD2 PHE 4 HD1 PHE 4 5.668 -5.958 -2.556
32 HE1 PHE 4 HE2 PHE 4 2.674 -2.680 -0.437
33 HE2 PHE 4 HE1 PHE 4 4.077 -6.687 -0.827
34 HZ PHE 4 HZ PHE 4 2.578 -5.047 0.236
35 H PHE 5 H PHE 5 6.757 -0.473 -3.681
36 HA PHE 5 HA PHE 5 8.161 -0.406 -6.150
37 HB2 PHE 5 2HB PHE 5 7.214 1.975 -4.550
38 HB3 PHE 5 3HB PHE 5 7.488 1.893 -6.287
39 HD1 PHE 5 HD1 PHE 5 5.305 0.739 -3.547
40 HD2 PHE 5 HD2 PHE 5 5.815 1.111 -7.756
41 HE1 PHE 5 HE1 PHE 5 2.946 0.127 -3.884
42 HE2 PHE 5 HE2 PHE 5 3.457 0.500 -8.100
43 HZ PHE 5 HZ PHE 5 2.019 0.008 -6.162
44 H LYS 6 H LYS 6 8.946 0.525 -2.873
45 HA LYS 6 HA LYS 6 11.128 2.186 -3.298
46 HB2 LYS 6 2HB LYS 6 11.654 1.870 -1.062
47 HB3 LYS 6 3HB LYS 6 9.947 1.447 -1.097
48 HG2 LYS 6 2HG LYS 6 10.777 -0.969 -1.424
49 HG3 LYS 6 3HG LYS 6 12.327 -0.347 -0.852
50 HD2 LYS 6 2HD LYS 6 10.042 0.467 0.785
51 HD3 LYS 6 3HD LYS 6 10.307 -1.278 0.743
52 HE2 LYS 6 2HE LYS 6 12.119 -1.122 2.033
53 HE3 LYS 6 3HE LYS 6 12.786 0.189 1.062
54 HZ1 LYS 6 3HZ LYS 6 12.013 1.734 2.469
55 HZ2 LYS 6 1HZ LYS 6 11.948 0.464 3.585
56 HZ3 LYS 6 2HZ LYS 6 10.553 0.927 2.748
57 H ARG 7 H ARG 7 10.876 -1.296 -3.521
58 HA ARG 7 HA ARG 7 13.746 -1.444 -4.160
59 HB2 ARG 7 2HB ARG 7 11.987 -3.137 -2.602
60 HB3 ARG 7 3HB ARG 7 12.763 -4.050 -3.889
61 HG2 ARG 7 2HG ARG 7 14.320 -4.300 -2.255
62 HG3 ARG 7 3HG ARG 7 14.914 -2.811 -2.992
63 HD2 ARG 7 2HD ARG 7 14.425 -1.577 -1.179
64 HD3 ARG 7 3HD ARG 7 12.895 -2.409 -0.908
65 HE ARG 7 HE ARG 7 13.955 -3.827 0.553
66 HH11 ARG 7 1HH1 ARG 7 16.327 -2.035 -1.259
67 HH12 ARG 7 2HH1 ARG 7 17.660 -2.566 -0.288
68 HH21 ARG 7 1HH2 ARG 7 15.702 -4.534 1.838
69 HH22 ARG 7 2HH2 ARG 7 17.304 -3.988 1.472
70 H GLN 8 H GLN 8 10.586 -1.726 -5.424
71 HA GLN 8 HA GLN 8 11.412 -3.329 -7.708
72 HB2 GLN 8 2HB GLN 8 9.193 -3.680 -6.644
73 HB3 GLN 8 3HB GLN 8 8.734 -2.052 -7.127
74 HG2 GLN 8 2HG GLN 8 7.829 -3.149 -8.869
75 HG3 GLN 8 3HG GLN 8 9.466 -3.010 -9.509
76 HE21 GLN 8 1HE2 GLN 8 9.094 -4.845 -10.801
77 HE22 GLN 8 2HE2 GLN 8 9.131 -6.437 -10.130
78 H TYR 9 H TYR 9 10.208 -0.058 -7.041
79 HA TYR 9 HA TYR 9 10.285 0.858 -9.705
80 HB2 TYR 9 2HB TYR 9 9.032 2.014 -7.938
81 HB3 TYR 9 3HB TYR 9 10.540 2.436 -7.136
82 HD1 TYR 9 HD2 TYR 9 12.236 3.816 -8.571
83 HD2 TYR 9 HD1 TYR 9 8.080 3.513 -9.429
84 HE1 TYR 9 HE2 TYR 9 12.364 5.886 -9.893
85 HE2 TYR 9 HE1 TYR 9 8.196 5.581 -10.755
86 HH TYR 9 HH TYR 9 11.070 7.566 -10.814
87 H LYS 10 H LYS 10 12.661 0.993 -7.084
88 HA LYS 10 HA LYS 10 14.589 2.494 -8.531
89 HB2 LYS 10 2HB LYS 10 15.180 0.603 -6.258
90 HB3 LYS 10 3HB LYS 10 16.076 2.041 -6.729
91 HG2 LYS 10 2HG LYS 10 13.290 2.015 -5.584
92 HG3 LYS 10 3HG LYS 10 14.767 2.396 -4.696
93 HD2 LYS 10 2HD LYS 10 15.022 4.123 -6.730
94 HD3 LYS 10 3HD LYS 10 13.261 4.008 -6.671
95 HE2 LYS 10 2HE LYS 10 13.172 4.807 -4.471
96 HE3 LYS 10 3HE LYS 10 14.885 4.493 -4.194
97 HZ1 LYS 10 3HZ LYS 10 13.923 6.495 -6.155
98 HZ2 LYS 10 1HZ LYS 10 15.488 6.312 -5.538
99 HZ3 LYS 10 2HZ LYS 10 14.247 6.881 -4.540
100 H GLU 11 H GLU 11 13.920 -0.932 -8.189
101 HA GLU 11 HA GLU 11 16.342 -1.751 -9.515
102 HB2 GLU 11 2HB GLU 11 13.897 -3.167 -8.509
103 HB3 GLU 11 3HB GLU 11 15.019 -3.998 -9.577
104 HG2 GLU 11 2HG GLU 11 16.812 -3.718 -8.016
105 HG3 GLU 11 3HG GLU 11 15.812 -2.697 -6.984
106 H MET 12 H MET 12 13.182 -0.789 -10.458
107 HA MET 12 HA MET 12 13.310 -2.077 -13.053
108 HB2 MET 12 2HB MET 12 11.305 -0.339 -11.652
109 HB3 MET 12 3HB MET 12 11.187 -0.601 -13.387
110 HG2 MET 12 2HG MET 12 11.485 -2.988 -11.661
111 HG3 MET 12 3HG MET 12 9.943 -2.135 -11.623
112 HE1 MET 12 3HE MET 12 11.406 -4.909 -12.541
113 HE2 MET 12 1HE MET 12 9.750 -5.329 -12.980
114 HE3 MET 12 2HE MET 12 11.025 -5.384 -14.197
115 H MET 13 H MET 13 14.023 1.006 -11.625
116 HA MET 13 HA MET 13 14.192 2.365 -14.180
117 HB2 MET 13 2HB MET 13 14.606 4.337 -12.958
118 HB3 MET 13 3HB MET 13 13.439 3.443 -11.994
119 HG2 MET 13 2HG MET 13 14.848 3.953 -10.324
120 HG3 MET 13 3HG MET 13 15.708 2.530 -10.905
121 HE1 MET 13 3HE MET 13 17.075 3.968 -9.175
122 HE2 MET 13 1HE MET 13 18.539 3.603 -10.089
123 HE3 MET 13 2HE MET 13 18.174 5.268 -9.638
124 H GLU 14 H GLU 14 16.308 0.824 -11.873
125 HA GLU 14 HA GLU 14 18.720 1.868 -13.068
126 HB2 GLU 14 2HB GLU 14 19.900 0.623 -11.427
127 HB3 GLU 14 3HB GLU 14 18.472 1.265 -10.626
128 HG2 GLU 14 2HG GLU 14 17.379 -0.969 -11.081
129 HG3 GLU 14 3HG GLU 14 18.981 -1.550 -11.532
130 H GLU 15 H GLU 15 16.652 -0.862 -13.485
131 HA GLU 15 HA GLU 15 18.619 -2.475 -14.848
132 HB2 GLU 15 2HB GLU 15 16.895 -4.087 -15.121
133 HB3 GLU 15 3HB GLU 15 16.682 -3.399 -13.518
134 HG2 GLU 15 2HG GLU 15 14.541 -3.224 -14.130
135 HG3 GLU 15 3HG GLU 15 15.086 -1.776 -14.976
136 H ALA 16 H ALA 16 16.109 -0.201 -15.694
137 HA ALA 16 HA ALA 16 16.397 -0.793 -18.540
138 HB1 ALA 16 1HB ALA 16 14.522 0.718 -18.866
139 HB2 ALA 16 2HB ALA 16 14.138 -0.486 -17.635
140 HB3 ALA 16 3HB ALA 16 14.560 1.159 -17.158
141 H ASN 17 H ASN 17 17.807 1.183 -16.237
142 HA ASN 17 HA ASN 17 18.288 3.449 -17.977
143 HB2 ASN 17 2HB ASN 17 18.770 2.790 -15.134
144 HB3 ASN 17 3HB ASN 17 19.961 3.852 -15.881
145 HD21 ASN 17 1HD2 ASN 17 16.626 3.748 -16.878
146 HD22 ASN 17 2HD2 ASN 17 16.192 5.308 -16.276
147 H GLY 18 H GLY 18 19.640 0.405 -17.512
148 HA2 GLY 18 2HA GLY 18 21.371 -0.137 -19.215
149 HA3 GLY 18 3HA GLY 18 22.203 1.312 -18.672
150 H GLN 19 H GLN 19 20.636 -1.234 -16.762
151 HA GLN 19 HA GLN 19 22.475 -1.376 -14.743
152 HB2 GLN 19 2HB GLN 19 20.300 -2.979 -15.675
153 HB3 GLN 19 3HB GLN 19 21.629 -4.043 -15.232
154 HG2 GLN 19 2HG GLN 19 20.871 -1.870 -13.354
155 HG3 GLN 19 3HG GLN 19 19.826 -3.285 -13.478
156 HE21 GLN 19 1HE2 GLN 19 21.416 -5.360 -13.714
157 HE22 GLN 19 2HE2 GLN 19 22.508 -5.499 -12.382
158 H ILE 20 H ILE 20 22.778 -2.582 -17.972
159 HA ILE 20 HA ILE 20 25.392 -3.749 -17.265
160 HB ILE 20 HB ILE 20 24.042 -4.634 -19.757
161 HG12 ILE 20 2HG1 ILE 20 23.046 -6.516 -18.181
162 HG13 ILE 20 3HG1 ILE 20 23.069 -5.218 -16.992
163 HG21 ILE 20 1HG2 ILE 20 26.134 -5.535 -17.926
164 HG22 ILE 20 2HG2 ILE 20 25.057 -6.820 -18.471
165 HG23 ILE 20 3HG2 ILE 20 25.927 -5.838 -19.650
166 HD11 ILE 20 3HD1 ILE 20 21.001 -4.864 -17.805
167 HD12 ILE 20 1HD1 ILE 20 21.886 -3.934 -19.014
168 HD13 ILE 20 2HD1 ILE 20 21.373 -5.583 -19.372
169 H ALA 21 H ALA 21 23.771 -1.349 -18.966
170 HA ALA 21 HA ALA 21 25.983 -1.008 -20.874
171 HB1 ALA 21 1HB ALA 21 23.850 0.834 -21.340
172 HB2 ALA 21 2HB ALA 21 24.446 -0.464 -22.376
173 HB3 ALA 21 3HB ALA 21 23.191 -0.795 -21.182
174 HA PRO 22 HA PRO 22 27.487 2.633 -18.943
175 HB2 PRO 22 2HB PRO 22 27.941 4.304 -21.034
176 HB3 PRO 22 3HB PRO 22 28.936 2.880 -20.709
177 HG2 PRO 22 2HG PRO 22 26.698 3.221 -22.668
178 HG3 PRO 22 3HG PRO 22 28.263 2.417 -22.886
179 HD2 PRO 22 2HD PRO 22 25.976 1.048 -22.407
180 HD3 PRO 22 3HD PRO 22 27.561 0.489 -21.835
181 H GLU 23 H GLU 23 24.510 2.654 -20.512
182 HA GLU 23 HA GLU 23 23.809 5.373 -20.467
183 HB2 GLU 23 2HB GLU 23 22.280 2.806 -20.478
184 HB3 GLU 23 3HB GLU 23 21.417 4.303 -20.156
185 HG2 GLU 23 2HG GLU 23 22.987 4.847 -22.388
186 HG3 GLU 23 3HG GLU 23 22.356 3.222 -22.652
187 H ASN 24 H ASN 24 23.782 2.901 -17.980
188 HA ASN 24 HA ASN 24 22.180 4.117 -16.067
189 HB2 ASN 24 2HB ASN 24 23.779 1.854 -16.181
190 HB3 ASN 24 3HB ASN 24 24.520 2.817 -14.906
191 HD21 ASN 24 1HD2 ASN 24 21.428 1.524 -16.010
192 HD22 ASN 24 2HD2 ASN 24 20.747 1.325 -14.434
193 H GLY 25 H GLY 25 22.372 6.227 -15.581
194 HA2 GLY 25 2HA GLY 25 23.533 7.659 -13.941
195 HA3 GLY 25 3HA GLY 25 25.035 7.164 -14.706
196 H THR 26 H THR 26 23.064 7.434 -17.232
197 HA THR 26 HA THR 26 24.024 10.111 -17.854
198 HB THR 26 HB THR 26 22.576 8.121 -19.613
199 HG1 THR 26 HG1 THR 26 25.317 8.832 -19.750
200 HG21 THR 26 3HG2 THR 26 23.984 9.806 -21.248
201 HG22 THR 26 1HG2 THR 26 23.408 10.903 -19.994
202 HG23 THR 26 2HG2 THR 26 22.258 9.929 -20.909
203 H GLN 27 H GLN 27 20.935 8.346 -17.817
204 HA GLN 27 HA GLN 27 19.544 10.940 -17.801
205 HB2 GLN 27 2HB GLN 27 18.808 8.252 -18.891
206 HB3 GLN 27 3HB GLN 27 17.534 9.360 -18.399
207 HG2 GLN 27 2HG GLN 27 18.850 11.053 -19.900
208 HG3 GLN 27 3HG GLN 27 19.482 9.581 -20.636
209 HE21 GLN 27 1HE2 GLN 27 18.464 9.373 -22.506
210 HE22 GLN 27 2HE2 GLN 27 16.753 9.439 -22.736
211 H THR 28 H THR 28 20.477 8.444 -15.829
212 HA THR 28 HA THR 28 18.357 7.766 -14.237
213 HB THR 28 HB THR 28 21.148 7.585 -14.020
214 HG1 THR 28 HG1 THR 28 20.436 6.173 -12.178
215 HG21 THR 28 3HG2 THR 28 21.627 8.152 -11.724
216 HG22 THR 28 1HG2 THR 28 19.971 8.700 -11.473
217 HG23 THR 28 2HG2 THR 28 21.040 9.591 -12.556
218 HA PRO 29 HA PRO 29 16.905 11.345 -12.149
219 HB2 PRO 29 2HB PRO 29 16.211 10.313 -9.736
220 HB3 PRO 29 3HB PRO 29 15.291 10.003 -11.213
221 HG2 PRO 29 2HG PRO 29 17.327 8.280 -9.853
222 HG3 PRO 29 3HG PRO 29 15.771 7.821 -10.570
223 HD2 PRO 29 2HD PRO 29 18.131 7.446 -11.845
224 HD3 PRO 29 3HD PRO 29 16.622 7.799 -12.712
225 H SER 30 H SER 30 19.360 11.943 -12.200
226 HA SER 30 HA SER 30 20.986 11.679 -9.951
227 HB2 SER 30 2HB SER 30 21.298 14.265 -11.259
228 HB3 SER 30 3HB SER 30 22.425 12.912 -11.164
229 HG SER 30 HG SER 30 21.869 13.190 -13.301
230 HA PRO 31 HA PRO 31 19.307 14.315 -6.870
231 HB2 PRO 31 2HB PRO 31 21.561 15.264 -5.691
232 HB3 PRO 31 3HB PRO 31 21.005 13.597 -5.497
233 HG2 PRO 31 2HG PRO 31 23.115 14.691 -7.317
234 HG3 PRO 31 3HG PRO 31 23.142 13.217 -6.331
235 HD2 PRO 31 2HD PRO 31 22.628 13.182 -8.989
236 HD3 PRO 31 3HD PRO 31 21.901 12.020 -7.861
237 HA PRO 32 HA PRO 32 19.164 18.529 -8.117
238 HB2 PRO 32 2HB PRO 32 18.986 19.850 -5.752
239 HB3 PRO 32 3HB PRO 32 17.659 18.891 -6.419
240 HG2 PRO 32 2HG PRO 32 19.657 18.155 -4.315
241 HG3 PRO 32 3HG PRO 32 17.910 17.854 -4.352
242 HD2 PRO 32 2HD PRO 32 19.730 15.950 -4.982
243 HD3 PRO 32 3HD PRO 32 18.127 16.028 -5.741
244 H SER 33 H SER 33 21.325 18.606 -8.988
245 HA SER 33 HA SER 33 23.520 19.414 -7.315
246 HB2 SER 33 2HB SER 33 23.222 19.185 -10.315
247 HB3 SER 33 3HB SER 33 24.722 19.662 -9.519
248 HG SER 33 HG SER 33 23.482 17.180 -9.649
249 H GLU 34 H GLU 34 21.101 20.988 -9.236
250 HA GLU 34 HA GLU 34 22.460 23.572 -8.867
251 HB2 GLU 34 2HB GLU 34 21.230 24.421 -10.715
252 HB3 GLU 34 3HB GLU 34 21.845 22.849 -11.206
253 HG2 GLU 34 2HG GLU 34 19.532 21.987 -10.397
254 HG3 GLU 34 3HG GLU 34 19.050 23.673 -10.576
255 H LYS 35 H LYS 35 19.629 21.722 -8.112
256 HA LYS 35 HA LYS 35 17.685 22.233 -6.998
257 HB2 LYS 35 2HB LYS 35 18.078 22.959 -4.773
258 HB3 LYS 35 3HB LYS 35 19.517 22.071 -5.258
259 HG2 LYS 35 2HG LYS 35 20.731 24.106 -5.606
260 HG3 LYS 35 3HG LYS 35 19.278 25.070 -5.338
261 HD2 LYS 35 2HD LYS 35 20.641 25.112 -3.347
262 HD3 LYS 35 3HD LYS 35 19.171 24.189 -3.026
263 HE2 LYS 35 2HE LYS 35 20.317 22.138 -3.102
264 HE3 LYS 35 3HE LYS 35 21.726 22.859 -3.878
265 HZ1 LYS 35 3HZ LYS 35 21.626 22.328 -1.293
266 HZ2 LYS 35 1HZ LYS 35 21.008 23.903 -1.257
267 HZ3 LYS 35 2HZ LYS 35 22.534 23.608 -1.924
Start of MODEL 6
1 H1 LYS 1 H LYS 1 1.463 -0.196 0.624
2 HA LYS 1 HA LYS 1 2.354 -1.192 -1.480
3 HB2 LYS 1 2HB LYS 1 -0.072 0.064 -2.386
4 HB3 LYS 1 3HB LYS 1 1.293 0.668 -3.317
5 HG2 LYS 1 2HG LYS 1 0.899 -1.134 -4.588
6 HG3 LYS 1 3HG LYS 1 1.820 -1.978 -3.341
7 HD2 LYS 1 2HD LYS 1 -0.098 -3.280 -3.570
8 HD3 LYS 1 3HD LYS 1 -0.457 -2.271 -2.167
9 HE2 LYS 1 2HE LYS 1 -1.497 -0.672 -3.951
10 HE3 LYS 1 3HE LYS 1 -1.551 -2.128 -4.944
11 HZ1 LYS 1 3HZ LYS 1 -3.014 -1.508 -2.476
12 HZ2 LYS 1 1HZ LYS 1 -2.650 -3.124 -2.821
13 HZ3 LYS 1 2HZ LYS 1 -3.572 -2.213 -3.908
14 H VAL 2 H VAL 2 4.102 -0.205 -0.341
15 HA VAL 2 HA VAL 2 5.074 2.175 -1.668
16 HB VAL 2 HB VAL 2 4.572 2.150 1.307
17 HG11 VAL 2 1HG1 VAL 2 6.796 2.982 0.996
18 HG12 VAL 2 2HG1 VAL 2 6.275 4.016 -0.337
19 HG13 VAL 2 3HG1 VAL 2 5.734 4.356 1.308
20 HG21 VAL 2 3HG2 VAL 2 2.668 2.878 0.019
21 HG22 VAL 2 1HG2 VAL 2 3.401 4.276 0.806
22 HG23 VAL 2 2HG2 VAL 2 3.676 3.987 -0.912
23 H GLY 3 H GLY 3 5.568 -0.297 0.811
24 HA2 GLY 3 2HA GLY 3 8.415 0.019 0.884
25 HA3 GLY 3 3HA GLY 3 7.494 -1.299 1.592
26 H PHE 4 H PHE 4 6.334 -1.409 -1.352
27 HA PHE 4 HA PHE 4 8.177 -3.489 -2.177
28 HB2 PHE 4 2HB PHE 4 5.764 -2.637 -3.748
29 HB3 PHE 4 3HB PHE 4 6.500 -4.232 -3.629
30 HD1 PHE 4 HD1 PHE 4 4.479 -1.736 -1.806
31 HD2 PHE 4 HD2 PHE 4 5.807 -5.775 -1.994
32 HE1 PHE 4 HE1 PHE 4 2.854 -2.347 -0.063
33 HE2 PHE 4 HE2 PHE 4 4.184 -6.394 -0.252
34 HZ PHE 4 HZ PHE 4 2.704 -4.679 0.716
35 H PHE 5 H PHE 5 7.013 -0.368 -3.355
36 HA PHE 5 HA PHE 5 8.440 -0.439 -5.809
37 HB2 PHE 5 2HB PHE 5 7.528 2.028 -4.324
38 HB3 PHE 5 3HB PHE 5 7.820 1.867 -6.052
39 HD1 PHE 5 HD1 PHE 5 5.583 0.873 -3.293
40 HD2 PHE 5 HD2 PHE 5 6.148 1.058 -7.507
41 HE1 PHE 5 HE1 PHE 5 3.215 0.295 -3.632
42 HE2 PHE 5 HE2 PHE 5 3.781 0.481 -7.853
43 HZ PHE 5 HZ PHE 5 2.311 0.099 -5.914
44 H LYS 6 H LYS 6 9.214 0.625 -2.569
45 HA LYS 6 HA LYS 6 11.434 2.219 -3.044
46 HB2 LYS 6 2HB LYS 6 11.939 1.984 -0.792
47 HB3 LYS 6 3HB LYS 6 10.222 1.604 -0.824
48 HG2 LYS 6 2HG LYS 6 10.991 -0.845 -1.041
49 HG3 LYS 6 3HG LYS 6 12.553 -0.240 -0.483
50 HD2 LYS 6 2HD LYS 6 10.270 0.696 1.097
51 HD3 LYS 6 3HD LYS 6 10.507 -1.053 1.137
52 HE2 LYS 6 2HE LYS 6 12.277 -0.852 2.471
53 HE3 LYS 6 3HE LYS 6 13.021 0.337 1.403
54 HZ1 LYS 6 3HZ LYS 6 11.943 0.785 3.905
55 HZ2 LYS 6 1HZ LYS 6 10.857 1.493 2.817
56 HZ3 LYS 6 2HZ LYS 6 12.486 1.949 2.804
57 H ARG 7 H ARG 7 11.120 -1.268 -3.096
58 HA ARG 7 HA ARG 7 13.990 -1.499 -3.709
59 HB2 ARG 7 2HB ARG 7 13.788 -3.861 -3.087
60 HB3 ARG 7 3HB ARG 7 13.283 -2.810 -1.771
61 HG2 ARG 7 2HG ARG 7 11.604 -4.335 -1.701
62 HG3 ARG 7 3HG ARG 7 10.904 -3.193 -2.850
63 HD2 ARG 7 2HD ARG 7 10.981 -4.669 -4.530
64 HD3 ARG 7 3HD ARG 7 12.609 -5.195 -4.108
65 HE ARG 7 HE ARG 7 10.129 -6.432 -3.335
66 HH11 ARG 7 1HH1 ARG 7 13.502 -6.034 -2.571
67 HH12 ARG 7 2HH1 ARG 7 13.610 -7.516 -1.681
68 HH21 ARG 7 1HH2 ARG 7 10.258 -8.385 -2.164
69 HH22 ARG 7 2HH2 ARG 7 11.764 -8.853 -1.451
70 H GLN 8 H GLN 8 10.839 -1.769 -4.994
71 HA GLN 8 HA GLN 8 11.655 -3.485 -7.200
72 HB2 GLN 8 2HB GLN 8 9.416 -3.733 -6.125
73 HB3 GLN 8 3HB GLN 8 8.993 -2.135 -6.724
74 HG2 GLN 8 2HG GLN 8 9.963 -4.095 -8.712
75 HG3 GLN 8 3HG GLN 8 8.372 -4.382 -8.008
76 HE21 GLN 8 1HE2 GLN 8 9.663 -3.267 -10.653
77 HE22 GLN 8 2HE2 GLN 8 8.603 -1.961 -11.045
78 H TYR 9 H TYR 9 10.522 -0.165 -6.672
79 HA TYR 9 HA TYR 9 10.654 0.626 -9.383
80 HB2 TYR 9 2HB TYR 9 9.348 1.868 -7.726
81 HB3 TYR 9 3HB TYR 9 10.823 2.305 -6.872
82 HD1 TYR 9 HD1 TYR 9 12.598 3.616 -8.277
83 HD2 TYR 9 HD2 TYR 9 8.480 3.324 -9.308
84 HE1 TYR 9 HE1 TYR 9 12.809 5.635 -9.665
85 HE2 TYR 9 HE2 TYR 9 8.680 5.342 -10.700
86 HH TYR 9 HH TYR 9 11.257 7.449 -10.523
87 H LYS 10 H LYS 10 12.971 0.751 -6.726
88 HA LYS 10 HA LYS 10 14.942 2.259 -8.099
89 HB2 LYS 10 2HB LYS 10 16.317 1.879 -6.259
90 HB3 LYS 10 3HB LYS 10 14.704 1.775 -5.566
91 HG2 LYS 10 2HG LYS 10 14.840 -0.698 -5.773
92 HG3 LYS 10 3HG LYS 10 16.515 -0.514 -6.298
93 HD2 LYS 10 2HD LYS 10 15.705 0.822 -3.772
94 HD3 LYS 10 3HD LYS 10 15.865 -0.936 -3.755
95 HE2 LYS 10 2HE LYS 10 18.004 0.918 -4.784
96 HE3 LYS 10 3HE LYS 10 17.932 0.353 -3.115
97 HZ1 LYS 10 3HZ LYS 10 19.065 -0.940 -5.295
98 HZ2 LYS 10 1HZ LYS 10 17.699 -1.843 -4.867
99 HZ3 LYS 10 2HZ LYS 10 18.899 -1.529 -3.717
100 H GLU 11 H GLU 11 14.208 -1.161 -7.902
101 HA GLU 11 HA GLU 11 16.643 -1.965 -9.220
102 HB2 GLU 11 2HB GLU 11 16.051 -4.091 -8.695
103 HB3 GLU 11 3HB GLU 11 14.978 -3.274 -7.566
104 HG2 GLU 11 2HG GLU 11 13.535 -4.747 -8.544
105 HG3 GLU 11 3HG GLU 11 13.304 -3.332 -9.568
106 H MET 12 H MET 12 13.424 -1.075 -10.137
107 HA MET 12 HA MET 12 13.626 -2.220 -12.787
108 HB2 MET 12 2HB MET 12 11.407 -1.708 -13.043
109 HB3 MET 12 3HB MET 12 11.490 -1.785 -11.288
110 HG2 MET 12 2HG MET 12 10.431 0.188 -11.436
111 HG3 MET 12 3HG MET 12 12.069 0.803 -11.641
112 HE1 MET 12 3HE MET 12 9.042 1.469 -12.261
113 HE2 MET 12 1HE MET 12 9.177 2.546 -13.651
114 HE3 MET 12 2HE MET 12 8.474 0.940 -13.845
115 H MET 13 H MET 13 14.442 0.719 -11.224
116 HA MET 13 HA MET 13 14.439 2.291 -13.662
117 HB2 MET 13 2HB MET 13 13.861 3.232 -11.391
118 HB3 MET 13 3HB MET 13 15.559 3.059 -10.966
119 HG2 MET 13 2HG MET 13 15.800 5.130 -11.726
120 HG3 MET 13 3HG MET 13 15.673 4.425 -13.336
121 HE1 MET 13 3HE MET 13 14.523 6.182 -14.824
122 HE2 MET 13 1HE MET 13 13.722 4.612 -14.891
123 HE3 MET 13 2HE MET 13 12.761 6.089 -14.829
124 H GLU 14 H GLU 14 16.737 0.672 -11.552
125 HA GLU 14 HA GLU 14 19.051 1.723 -12.886
126 HB2 GLU 14 2HB GLU 14 18.504 0.138 -10.549
127 HB3 GLU 14 3HB GLU 14 19.748 -0.642 -11.515
128 HG2 GLU 14 2HG GLU 14 21.045 1.440 -11.503
129 HG3 GLU 14 3HG GLU 14 19.808 2.189 -10.495
130 H GLU 15 H GLU 15 16.940 -0.985 -13.312
131 HA GLU 15 HA GLU 15 18.766 -2.507 -14.935
132 HB2 GLU 15 2HB GLU 15 17.009 -4.072 -15.193
133 HB3 GLU 15 3HB GLU 15 16.876 -3.471 -13.546
134 HG2 GLU 15 2HG GLU 15 14.708 -3.279 -14.083
135 HG3 GLU 15 3HG GLU 15 15.235 -1.750 -14.785
136 H ALA 16 H ALA 16 16.245 -0.143 -15.453
137 HA ALA 16 HA ALA 16 16.346 -0.526 -18.346
138 HB1 ALA 16 1HB ALA 16 14.485 1.026 -18.445
139 HB2 ALA 16 2HB ALA 16 14.158 -0.245 -17.266
140 HB3 ALA 16 3HB ALA 16 14.645 1.360 -16.720
141 H ASN 17 H ASN 17 17.909 1.280 -15.987
142 HA ASN 17 HA ASN 17 18.348 3.638 -17.612
143 HB2 ASN 17 2HB ASN 17 18.949 2.806 -14.837
144 HB3 ASN 17 3HB ASN 17 20.116 3.899 -15.575
145 HD21 ASN 17 1HD2 ASN 17 16.737 3.883 -16.415
146 HD22 ASN 17 2HD2 ASN 17 16.350 5.410 -15.704
147 H GLY 18 H GLY 18 19.655 0.554 -17.416
148 HA2 GLY 18 2HA GLY 18 21.304 0.090 -19.212
149 HA3 GLY 18 3HA GLY 18 22.184 1.494 -18.626
150 H GLN 19 H GLN 19 20.663 -1.123 -16.779
151 HA GLN 19 HA GLN 19 22.603 -1.409 -14.872
152 HB2 GLN 19 2HB GLN 19 20.654 -2.607 -14.459
153 HB3 GLN 19 3HB GLN 19 20.643 -3.338 -16.058
154 HG2 GLN 19 2HG GLN 19 22.190 -4.949 -15.481
155 HG3 GLN 19 3HG GLN 19 22.821 -4.006 -14.132
156 HE21 GLN 19 1HE2 GLN 19 22.520 -6.243 -13.189
157 HE22 GLN 19 2HE2 GLN 19 21.007 -6.556 -12.416
158 H ILE 20 H ILE 20 22.703 -2.450 -18.170
159 HA ILE 20 HA ILE 20 25.315 -3.720 -17.666
160 HB ILE 20 HB ILE 20 23.815 -4.424 -20.130
161 HG12 ILE 20 2HG1 ILE 20 22.849 -6.368 -18.611
162 HG13 ILE 20 3HG1 ILE 20 22.969 -5.140 -17.355
163 HG21 ILE 20 1HG2 ILE 20 25.687 -5.657 -20.183
164 HG22 ILE 20 2HG2 ILE 20 25.958 -5.500 -18.448
165 HG23 ILE 20 3HG2 ILE 20 24.828 -6.709 -19.058
166 HD11 ILE 20 3HD1 ILE 20 21.722 -3.715 -19.241
167 HD12 ILE 20 1HD1 ILE 20 21.144 -5.327 -19.660
168 HD13 ILE 20 2HD1 ILE 20 20.874 -4.687 -18.039
169 H ALA 21 H ALA 21 23.678 -1.187 -19.149
170 HA ALA 21 HA ALA 21 25.810 -0.791 -21.137
171 HB1 ALA 21 1HB ALA 21 24.231 -0.116 -22.541
172 HB2 ALA 21 2HB ALA 21 23.019 -0.525 -21.325
173 HB3 ALA 21 3HB ALA 21 23.682 1.108 -21.395
174 HA PRO 22 HA PRO 22 27.471 2.720 -19.096
175 HB2 PRO 22 2HB PRO 22 27.843 4.501 -21.111
176 HB3 PRO 22 3HB PRO 22 28.829 3.047 -20.920
177 HG2 PRO 22 2HG PRO 22 26.497 3.530 -22.734
178 HG3 PRO 22 3HG PRO 22 28.035 2.718 -23.081
179 HD2 PRO 22 2HD PRO 22 25.753 1.356 -22.559
180 HD3 PRO 22 3HD PRO 22 27.357 0.743 -22.105
181 H GLU 23 H GLU 23 24.409 2.855 -20.467
182 HA GLU 23 HA GLU 23 23.769 5.589 -20.221
183 HB2 GLU 23 2HB GLU 23 22.194 3.055 -20.368
184 HB3 GLU 23 3HB GLU 23 21.371 4.534 -19.894
185 HG2 GLU 23 2HG GLU 23 23.052 4.477 -22.360
186 HG3 GLU 23 3HG GLU 23 21.413 3.828 -22.381
187 H ASN 24 H ASN 24 23.903 2.973 -17.917
188 HA ASN 24 HA ASN 24 22.353 3.988 -15.852
189 HB2 ASN 24 2HB ASN 24 24.061 1.821 -16.193
190 HB3 ASN 24 3HB ASN 24 24.795 2.734 -14.878
191 HD21 ASN 24 1HD2 ASN 24 21.605 1.615 -15.953
192 HD22 ASN 24 2HD2 ASN 24 21.044 1.168 -14.381
193 H GLY 25 H GLY 25 22.475 6.068 -15.233
194 HA2 GLY 25 2HA GLY 25 23.661 7.441 -13.557
195 HA3 GLY 25 3HA GLY 25 25.137 7.077 -14.438
196 H THR 26 H THR 26 23.219 7.390 -16.913
197 HA THR 26 HA THR 26 23.860 10.209 -17.275
198 HB THR 26 HB THR 26 22.643 8.350 -19.318
199 HG1 THR 26 HG1 THR 26 25.340 8.732 -18.533
200 HG21 THR 26 3HG2 THR 26 23.153 11.090 -19.349
201 HG22 THR 26 1HG2 THR 26 22.813 10.063 -20.741
202 HG23 THR 26 2HG2 THR 26 24.481 10.375 -20.261
203 H GLN 27 H GLN 27 21.064 8.077 -17.121
204 HA GLN 27 HA GLN 27 19.308 10.432 -17.312
205 HB2 GLN 27 2HB GLN 27 19.102 7.692 -18.331
206 HB3 GLN 27 3HB GLN 27 17.647 8.253 -17.519
207 HG2 GLN 27 2HG GLN 27 17.638 10.238 -18.985
208 HG3 GLN 27 3HG GLN 27 19.031 9.577 -19.840
209 HE21 GLN 27 1HE2 GLN 27 15.728 9.805 -19.811
210 HE22 GLN 27 2HE2 GLN 27 15.350 8.493 -20.870
211 H THR 28 H THR 28 20.699 8.441 -15.105
212 HA THR 28 HA THR 28 18.813 7.545 -13.352
213 HB THR 28 HB THR 28 21.080 7.121 -12.817
214 HG1 THR 28 HG1 THR 28 21.193 7.988 -10.641
215 HG21 THR 28 3HG2 THR 28 21.499 10.094 -12.499
216 HG22 THR 28 1HG2 THR 28 22.012 9.150 -13.896
217 HG23 THR 28 2HG2 THR 28 22.715 8.832 -12.310
218 HA PRO 29 HA PRO 29 16.534 11.005 -11.872
219 HB2 PRO 29 2HB PRO 29 15.764 10.043 -9.453
220 HB3 PRO 29 3HB PRO 29 15.071 9.477 -10.978
221 HG2 PRO 29 2HG PRO 29 17.202 8.228 -9.287
222 HG3 PRO 29 3HG PRO 29 15.828 7.460 -10.104
223 HD2 PRO 29 2HD PRO 29 18.340 7.405 -11.114
224 HD3 PRO 29 3HD PRO 29 16.896 7.432 -12.146
225 H SER 30 H SER 30 18.944 11.904 -11.736
226 HA SER 30 HA SER 30 19.833 12.284 -8.997
227 HB2 SER 30 2HB SER 30 21.525 13.833 -10.345
228 HB3 SER 30 3HB SER 30 21.711 12.079 -10.309
229 HG SER 30 HG SER 30 21.468 13.568 -12.426
230 HA PRO 31 HA PRO 31 17.939 16.176 -8.278
231 HB2 PRO 31 2HB PRO 31 19.835 17.428 -6.792
232 HB3 PRO 31 3HB PRO 31 18.850 16.099 -6.170
233 HG2 PRO 31 2HG PRO 31 21.646 16.046 -7.237
234 HG3 PRO 31 3HG PRO 31 20.977 15.229 -5.813
235 HD2 PRO 31 2HD PRO 31 21.382 13.955 -8.168
236 HD3 PRO 31 3HD PRO 31 20.057 13.527 -7.066
237 HA PRO 32 HA PRO 32 19.271 19.273 -11.101
238 HB2 PRO 32 2HB PRO 32 18.654 21.576 -9.803
239 HB3 PRO 32 3HB PRO 32 17.429 20.502 -10.489
240 HG2 PRO 32 2HG PRO 32 18.366 20.741 -7.656
241 HG3 PRO 32 3HG PRO 32 16.714 20.572 -8.277
242 HD2 PRO 32 2HD PRO 32 18.105 18.487 -7.251
243 HD3 PRO 32 3HD PRO 32 16.918 18.293 -8.557
244 H SER 33 H SER 33 20.642 21.272 -11.332
245 HA SER 33 HA SER 33 23.157 20.833 -10.008
246 HB2 SER 33 2HB SER 33 22.538 21.698 -12.486
247 HB3 SER 33 3HB SER 33 22.793 23.250 -11.689
248 HG SER 33 HG SER 33 24.864 22.675 -11.222
249 H GLU 34 H GLU 34 20.489 23.026 -9.696
250 HA GLU 34 HA GLU 34 21.970 24.904 -8.057
251 HB2 GLU 34 2HB GLU 34 19.473 24.906 -9.491
252 HB3 GLU 34 3HB GLU 34 19.206 25.403 -7.826
253 HG2 GLU 34 2HG GLU 34 21.372 26.881 -8.405
254 HG3 GLU 34 3HG GLU 34 20.640 26.765 -10.005
255 H LYS 35 H LYS 35 19.912 22.147 -7.654
256 HA LYS 35 HA LYS 35 19.136 21.031 -5.828
257 HB2 LYS 35 2HB LYS 35 21.703 21.191 -5.450
258 HB3 LYS 35 3HB LYS 35 21.284 22.357 -4.201
259 HG2 LYS 35 2HG LYS 35 20.140 20.753 -2.930
260 HG3 LYS 35 3HG LYS 35 20.075 19.613 -4.276
261 HD2 LYS 35 2HD LYS 35 22.776 20.446 -3.437
262 HD3 LYS 35 3HD LYS 35 21.876 19.479 -2.266
263 HE2 LYS 35 2HE LYS 35 21.589 18.377 -4.906
264 HE3 LYS 35 3HE LYS 35 23.296 18.575 -4.510
265 HZ1 LYS 35 3HZ LYS 35 21.519 17.369 -2.512
266 HZ2 LYS 35 1HZ LYS 35 23.166 17.099 -2.792
267 HZ3 LYS 35 2HZ LYS 35 22.011 16.427 -3.829
Start of MODEL 7
1 H1 LYS 1 H LYS 1 1.034 -1.889 0.583
2 HA LYS 1 HA LYS 1 2.084 -2.806 -1.489
3 HB2 LYS 1 2HB LYS 1 -0.465 -1.883 -2.455
4 HB3 LYS 1 3HB LYS 1 0.828 -1.122 -3.373
5 HG2 LYS 1 2HG LYS 1 0.692 -2.978 -4.621
6 HG3 LYS 1 3HG LYS 1 1.690 -3.680 -3.345
7 HD2 LYS 1 2HD LYS 1 -0.149 -4.723 -2.328
8 HD3 LYS 1 3HD LYS 1 -1.310 -3.718 -3.198
9 HE2 LYS 1 2HE LYS 1 -1.398 -5.830 -4.236
10 HE3 LYS 1 3HE LYS 1 -0.448 -4.812 -5.318
11 HZ1 LYS 1 3HZ LYS 1 1.157 -6.179 -3.375
12 HZ2 LYS 1 1HZ LYS 1 1.331 -6.100 -5.056
13 HZ3 LYS 1 2HZ LYS 1 0.295 -7.245 -4.366
14 H VAL 2 H VAL 2 3.673 -1.587 -0.339
15 HA VAL 2 HA VAL 2 4.357 0.877 -1.690
16 HB VAL 2 HB VAL 2 3.809 0.832 1.277
17 HG11 VAL 2 1HG1 VAL 2 5.290 2.874 -0.372
18 HG12 VAL 2 2HG1 VAL 2 4.680 3.169 1.258
19 HG13 VAL 2 3HG1 VAL 2 5.914 1.937 0.986
20 HG21 VAL 2 3HG2 VAL 2 1.851 1.291 -0.052
21 HG22 VAL 2 1HG2 VAL 2 2.386 2.784 0.722
22 HG23 VAL 2 2HG2 VAL 2 2.725 2.505 -0.987
23 H GLY 3 H GLY 3 5.116 -1.473 0.840
24 HA2 GLY 3 2HA GLY 3 7.898 -0.796 0.953
25 HA3 GLY 3 3HA GLY 3 7.140 -2.211 1.669
26 H PHE 4 H PHE 4 6.053 -2.522 -1.285
27 HA PHE 4 HA PHE 4 8.159 -4.362 -2.046
28 HB2 PHE 4 2HB PHE 4 5.691 -3.836 -3.674
29 HB3 PHE 4 3HB PHE 4 6.617 -5.326 -3.519
30 HD1 PHE 4 HD1 PHE 4 4.265 -3.079 -1.769
31 HD2 PHE 4 HD2 PHE 4 6.090 -6.922 -1.874
32 HE1 PHE 4 HE1 PHE 4 2.695 -3.868 -0.046
33 HE2 PHE 4 HE2 PHE 4 4.523 -7.718 -0.152
34 HZ PHE 4 HZ PHE 4 2.822 -6.190 0.764
35 H PHE 5 H PHE 5 6.624 -1.441 -3.319
36 HA PHE 5 HA PHE 5 8.110 -1.365 -5.735
37 HB2 PHE 5 2HB PHE 5 6.862 0.993 -4.319
38 HB3 PHE 5 3HB PHE 5 7.204 0.835 -6.039
39 HD1 PHE 5 HD2 PHE 5 5.056 -0.370 -3.293
40 HD2 PHE 5 HD1 PHE 5 5.676 -0.215 -7.501
41 HE1 PHE 5 HE2 PHE 5 2.787 -1.249 -3.656
42 HE2 PHE 5 HE1 PHE 5 3.408 -1.093 -7.871
43 HZ PHE 5 HZ PHE 5 1.961 -1.612 -5.947
44 H LYS 6 H LYS 6 8.665 -0.149 -2.502
45 HA LYS 6 HA LYS 6 10.669 1.708 -2.954
46 HB2 LYS 6 2HB LYS 6 9.812 0.023 -0.701
47 HB3 LYS 6 3HB LYS 6 11.500 0.512 -0.638
48 HG2 LYS 6 2HG LYS 6 9.921 2.026 0.558
49 HG3 LYS 6 3HG LYS 6 10.921 2.816 -0.664
50 HD2 LYS 6 2HD LYS 6 8.404 1.822 -1.738
51 HD3 LYS 6 3HD LYS 6 8.175 2.995 -0.439
52 HE2 LYS 6 2HE LYS 6 8.918 4.699 -1.694
53 HE3 LYS 6 3HE LYS 6 10.244 3.749 -2.362
54 HZ1 LYS 6 3HZ LYS 6 8.377 2.620 -3.709
55 HZ2 LYS 6 1HZ LYS 6 8.926 4.146 -4.192
56 HZ3 LYS 6 2HZ LYS 6 7.476 4.002 -3.334
57 H ARG 7 H ARG 7 10.826 -1.795 -2.942
58 HA ARG 7 HA ARG 7 13.707 -1.647 -3.523
59 HB2 ARG 7 2HB ARG 7 13.908 -3.902 -2.753
60 HB3 ARG 7 3HB ARG 7 12.982 -3.016 -1.549
61 HG2 ARG 7 2HG ARG 7 11.044 -4.029 -3.227
62 HG3 ARG 7 3HG ARG 7 12.241 -5.323 -3.141
63 HD2 ARG 7 2HD ARG 7 11.504 -4.002 -0.596
64 HD3 ARG 7 3HD ARG 7 10.280 -5.026 -1.346
65 HE ARG 7 HE ARG 7 12.757 -6.378 -1.265
66 HH11 ARG 7 1HH1 ARG 7 10.154 -5.332 0.797
67 HH12 ARG 7 2HH1 ARG 7 10.392 -6.596 1.958
68 HH21 ARG 7 1HH2 ARG 7 13.079 -8.047 0.256
69 HH22 ARG 7 2HH2 ARG 7 12.057 -8.140 1.649
70 H GLN 8 H GLN 8 10.638 -2.364 -4.838
71 HA GLN 8 HA GLN 8 11.704 -3.995 -6.999
72 HB2 GLN 8 2HB GLN 8 9.494 -4.498 -5.943
73 HB3 GLN 8 3HB GLN 8 8.884 -2.986 -6.601
74 HG2 GLN 8 2HG GLN 8 8.464 -3.931 -8.555
75 HG3 GLN 8 3HG GLN 8 10.111 -4.548 -8.673
76 HE21 GLN 8 1HE2 GLN 8 7.032 -5.195 -7.044
77 HE22 GLN 8 2HE2 GLN 8 7.159 -6.917 -7.113
78 H TYR 9 H TYR 9 10.132 -0.843 -6.564
79 HA TYR 9 HA TYR 9 10.218 -0.093 -9.287
80 HB2 TYR 9 2HB TYR 9 8.722 0.999 -7.693
81 HB3 TYR 9 3HB TYR 9 10.104 1.634 -6.806
82 HD1 TYR 9 HD2 TYR 9 11.735 3.144 -8.183
83 HD2 TYR 9 HD1 TYR 9 7.722 2.308 -9.325
84 HE1 TYR 9 HE2 TYR 9 11.725 5.156 -9.599
85 HE2 TYR 9 HE1 TYR 9 7.701 4.316 -10.745
86 HH TYR 9 HH TYR 9 9.435 6.740 -10.528
87 H LYS 10 H LYS 10 12.457 0.337 -6.604
88 HA LYS 10 HA LYS 10 14.235 2.090 -7.957
89 HB2 LYS 10 2HB LYS 10 15.793 1.600 -6.141
90 HB3 LYS 10 3HB LYS 10 14.180 1.904 -5.510
91 HG2 LYS 10 2HG LYS 10 14.792 0.077 -4.281
92 HG3 LYS 10 3HG LYS 10 13.964 -0.699 -5.633
93 HD2 LYS 10 2HD LYS 10 15.818 -1.787 -6.209
94 HD3 LYS 10 3HD LYS 10 16.733 -0.279 -6.279
95 HE2 LYS 10 2HE LYS 10 16.137 -1.311 -3.580
96 HE3 LYS 10 3HE LYS 10 17.254 -2.276 -4.544
97 HZ1 LYS 10 3HZ LYS 10 18.081 0.317 -4.881
98 HZ2 LYS 10 1HZ LYS 10 18.817 -0.856 -3.909
99 HZ3 LYS 10 2HZ LYS 10 17.693 0.215 -3.237
100 H GLU 11 H GLU 11 13.946 -1.395 -7.738
101 HA GLU 11 HA GLU 11 16.488 -1.889 -9.008
102 HB2 GLU 11 2HB GLU 11 16.163 -4.069 -8.472
103 HB3 GLU 11 3HB GLU 11 14.972 -3.390 -7.372
104 HG2 GLU 11 2HG GLU 11 13.755 -5.047 -8.365
105 HG3 GLU 11 3HG GLU 11 13.358 -3.677 -9.401
106 H MET 12 H MET 12 13.194 -1.439 -9.987
107 HA MET 12 HA MET 12 13.593 -2.560 -12.624
108 HB2 MET 12 2HB MET 12 11.331 -2.334 -12.927
109 HB3 MET 12 3HB MET 12 11.392 -2.404 -11.171
110 HG2 MET 12 2HG MET 12 10.090 -0.584 -11.335
111 HG3 MET 12 3HG MET 12 11.639 0.238 -11.515
112 HE1 MET 12 3HE MET 12 9.988 2.464 -13.626
113 HE2 MET 12 1HE MET 12 11.224 2.068 -12.431
114 HE3 MET 12 2HE MET 12 11.638 2.113 -14.144
115 H MET 13 H MET 13 13.992 0.470 -11.073
116 HA MET 13 HA MET 13 13.828 2.014 -13.523
117 HB2 MET 13 2HB MET 13 13.056 2.973 -11.384
118 HB3 MET 13 3HB MET 13 14.691 2.850 -10.748
119 HG2 MET 13 2HG MET 13 14.756 5.009 -11.393
120 HG3 MET 13 3HG MET 13 15.220 4.276 -12.926
121 HE1 MET 13 3HE MET 13 14.547 6.958 -12.883
122 HE2 MET 13 1HE MET 13 13.094 7.394 -13.783
123 HE3 MET 13 2HE MET 13 13.050 7.317 -12.022
124 H GLU 14 H GLU 14 16.282 0.719 -11.363
125 HA GLU 14 HA GLU 14 18.462 2.051 -12.670
126 HB2 GLU 14 2HB GLU 14 18.323 -0.184 -10.651
127 HB3 GLU 14 3HB GLU 14 19.844 0.398 -11.312
128 HG2 GLU 14 2HG GLU 14 17.914 2.290 -10.035
129 HG3 GLU 14 3HG GLU 14 19.019 1.325 -9.058
130 H GLU 15 H GLU 15 16.730 -0.914 -13.103
131 HA GLU 15 HA GLU 15 18.761 -2.194 -14.689
132 HB2 GLU 15 2HB GLU 15 17.226 -3.975 -14.960
133 HB3 GLU 15 3HB GLU 15 16.989 -3.386 -13.321
134 HG2 GLU 15 2HG GLU 15 14.823 -3.482 -13.895
135 HG3 GLU 15 3HG GLU 15 15.159 -1.901 -14.599
136 H ALA 16 H ALA 16 15.965 -0.178 -15.262
137 HA ALA 16 HA ALA 16 16.162 -0.560 -18.151
138 HB1 ALA 16 1HB ALA 16 14.103 0.659 -18.311
139 HB2 ALA 16 2HB ALA 16 13.942 -0.543 -17.030
140 HB3 ALA 16 3HB ALA 16 14.210 1.151 -16.621
141 H ASN 17 H ASN 17 17.440 1.444 -15.782
142 HA ASN 17 HA ASN 17 17.593 3.831 -17.417
143 HB2 ASN 17 2HB ASN 17 18.263 3.099 -14.627
144 HB3 ASN 17 3HB ASN 17 19.271 4.344 -15.359
145 HD21 ASN 17 1HD2 ASN 17 15.946 3.858 -16.257
146 HD22 ASN 17 2HD2 ASN 17 15.335 5.311 -15.551
147 H GLY 18 H GLY 18 19.286 0.946 -17.180
148 HA2 GLY 18 2HA GLY 18 21.013 0.690 -18.943
149 HA3 GLY 18 3HA GLY 18 21.692 2.200 -18.354
150 H GLN 19 H GLN 19 20.491 -0.572 -16.500
151 HA GLN 19 HA GLN 19 22.429 -0.591 -14.568
152 HB2 GLN 19 2HB GLN 19 20.632 -2.014 -14.167
153 HB3 GLN 19 3HB GLN 19 20.746 -2.769 -15.751
154 HG2 GLN 19 2HG GLN 19 22.441 -4.180 -15.113
155 HG3 GLN 19 3HG GLN 19 22.974 -3.122 -13.807
156 HE21 GLN 19 1HE2 GLN 19 20.887 -5.685 -14.735
157 HE22 GLN 19 2HE2 GLN 19 20.221 -6.004 -13.173
158 H ILE 20 H ILE 20 22.695 -1.652 -17.851
159 HA ILE 20 HA ILE 20 25.442 -2.573 -17.304
160 HB ILE 20 HB ILE 20 24.067 -3.505 -19.766
161 HG12 ILE 20 2HG1 ILE 20 23.342 -5.530 -18.219
162 HG13 ILE 20 3HG1 ILE 20 23.293 -4.276 -16.985
163 HG21 ILE 20 1HG2 ILE 20 26.340 -4.229 -18.092
164 HG22 ILE 20 2HG2 ILE 20 25.362 -5.613 -18.578
165 HG23 ILE 20 3HG2 ILE 20 26.045 -4.544 -19.802
166 HD11 ILE 20 3HD1 ILE 20 21.892 -3.052 -18.901
167 HD12 ILE 20 1HD1 ILE 20 21.530 -4.731 -19.301
168 HD13 ILE 20 2HD1 ILE 20 21.163 -4.109 -17.692
169 H ALA 21 H ALA 21 23.511 -0.294 -18.842
170 HA ALA 21 HA ALA 21 25.591 0.334 -20.825
171 HB1 ALA 21 1HB ALA 21 23.829 0.475 -22.187
172 HB2 ALA 21 2HB ALA 21 22.687 0.507 -20.843
173 HB3 ALA 21 3HB ALA 21 23.467 1.997 -21.373
174 HA PRO 22 HA PRO 22 26.788 4.056 -18.835
175 HB2 PRO 22 2HB PRO 22 26.953 5.836 -20.878
176 HB3 PRO 22 3HB PRO 22 28.110 4.518 -20.656
177 HG2 PRO 22 2HG PRO 22 25.751 4.679 -22.492
178 HG3 PRO 22 3HG PRO 22 27.381 4.058 -22.816
179 HD2 PRO 22 2HD PRO 22 25.281 2.433 -22.283
180 HD3 PRO 22 3HD PRO 22 26.944 2.031 -21.809
181 H GLU 23 H GLU 23 23.746 3.791 -20.233
182 HA GLU 23 HA GLU 23 22.757 6.416 -20.065
183 HB2 GLU 23 2HB GLU 23 21.517 3.697 -20.077
184 HB3 GLU 23 3HB GLU 23 20.517 5.082 -19.665
185 HG2 GLU 23 2HG GLU 23 20.291 5.619 -21.795
186 HG3 GLU 23 3HG GLU 23 22.040 5.664 -22.015
187 H ASN 24 H ASN 24 23.130 3.885 -17.665
188 HA ASN 24 HA ASN 24 21.520 4.880 -15.630
189 HB2 ASN 24 2HB ASN 24 23.335 2.792 -15.908
190 HB3 ASN 24 3HB ASN 24 24.024 3.781 -14.624
191 HD21 ASN 24 1HD2 ASN 24 21.033 2.222 -15.664
192 HD22 ASN 24 2HD2 ASN 24 20.443 1.893 -14.074
193 H GLY 25 H GLY 25 21.538 6.982 -15.080
194 HA2 GLY 25 2HA GLY 25 22.648 8.470 -13.452
195 HA3 GLY 25 3HA GLY 25 24.145 8.146 -14.314
196 H THR 26 H THR 26 22.289 8.279 -16.827
197 HA THR 26 HA THR 26 22.720 11.140 -17.227
198 HB THR 26 HB THR 26 22.491 10.739 -19.575
199 HG1 THR 26 HG1 THR 26 21.918 8.596 -20.314
200 HG21 THR 26 3HG2 THR 26 24.476 9.624 -18.064
201 HG22 THR 26 1HG2 THR 26 24.482 9.720 -19.824
202 HG23 THR 26 2HG2 THR 26 23.935 8.247 -19.023
203 H GLN 27 H GLN 27 20.132 8.727 -17.550
204 HA GLN 27 HA GLN 27 18.161 10.789 -18.061
205 HB2 GLN 27 2HB GLN 27 17.927 8.708 -19.263
206 HB3 GLN 27 3HB GLN 27 17.925 7.793 -17.761
207 HG2 GLN 27 2HG GLN 27 15.777 8.402 -17.228
208 HG3 GLN 27 3HG GLN 27 15.838 9.870 -18.203
209 HE21 GLN 27 1HE2 GLN 27 13.794 9.195 -19.055
210 HE22 GLN 27 2HE2 GLN 27 13.727 8.020 -20.319
211 H THR 28 H THR 28 19.312 8.876 -15.402
212 HA THR 28 HA THR 28 17.197 8.914 -13.639
213 HB THR 28 HB THR 28 19.381 9.465 -12.010
214 HG1 THR 28 HG1 THR 28 20.802 7.767 -13.275
215 HG21 THR 28 3HG2 THR 28 19.026 7.348 -11.276
216 HG22 THR 28 1HG2 THR 28 19.033 6.667 -12.902
217 HG23 THR 28 2HG2 THR 28 17.591 7.477 -12.292
218 HA PRO 29 HA PRO 29 16.449 13.046 -12.363
219 HB2 PRO 29 2HB PRO 29 16.040 12.777 -9.692
220 HB3 PRO 29 3HB PRO 29 14.881 12.215 -10.903
221 HG2 PRO 29 2HG PRO 29 16.933 10.657 -9.379
222 HG3 PRO 29 3HG PRO 29 15.251 10.233 -9.746
223 HD2 PRO 29 2HD PRO 29 17.343 9.235 -11.146
224 HD3 PRO 29 3HD PRO 29 15.759 9.543 -11.886
225 H SER 30 H SER 30 18.980 13.144 -12.858
226 HA SER 30 HA SER 30 20.856 13.322 -10.821
227 HB2 SER 30 2HB SER 30 20.706 14.035 -13.596
228 HB3 SER 30 3HB SER 30 21.486 15.343 -12.706
229 HG SER 30 HG SER 30 23.020 13.813 -13.340
230 HA PRO 31 HA PRO 31 19.943 16.939 -8.510
231 HB2 PRO 31 2HB PRO 31 22.434 17.835 -7.911
232 HB3 PRO 31 3HB PRO 31 21.729 16.393 -7.172
233 HG2 PRO 31 2HG PRO 31 23.665 16.602 -9.446
234 HG3 PRO 31 3HG PRO 31 23.668 15.480 -8.073
235 HD2 PRO 31 2HD PRO 31 22.776 14.773 -10.530
236 HD3 PRO 31 3HD PRO 31 22.094 14.099 -9.036
237 HA PRO 32 HA PRO 32 20.093 20.602 -10.937
238 HB2 PRO 32 2HB PRO 32 20.405 22.548 -9.070
239 HB3 PRO 32 3HB PRO 32 18.898 21.648 -9.277
240 HG2 PRO 32 2HG PRO 32 21.083 21.247 -7.270
241 HG3 PRO 32 3HG PRO 32 19.326 21.212 -7.033
242 HD2 PRO 32 2HD PRO 32 20.812 18.959 -7.252
243 HD3 PRO 32 3HD PRO 32 19.136 19.056 -7.828
244 H SER 33 H SER 33 21.397 22.885 -10.877
245 HA SER 33 HA SER 33 24.070 22.175 -11.592
246 HB2 SER 33 2HB SER 33 24.327 24.614 -12.049
247 HB3 SER 33 3HB SER 33 22.918 23.908 -12.840
248 HG SER 33 HG SER 33 22.911 25.995 -11.327
249 H GLU 34 H GLU 34 22.543 23.456 -8.758
250 HA GLU 34 HA GLU 34 25.164 24.031 -7.558
251 HB2 GLU 34 2HB GLU 34 22.389 24.873 -6.706
252 HB3 GLU 34 3HB GLU 34 23.858 25.232 -5.809
253 HG2 GLU 34 2HG GLU 34 24.705 26.530 -7.682
254 HG3 GLU 34 3HG GLU 34 23.259 26.145 -8.614
255 H LYS 35 H LYS 35 23.827 21.367 -7.949
256 HA LYS 35 HA LYS 35 23.659 19.396 -6.826
257 HB2 LYS 35 2HB LYS 35 25.778 20.652 -5.691
258 HB3 LYS 35 3HB LYS 35 24.742 20.447 -4.285
259 HG2 LYS 35 2HG LYS 35 25.952 18.514 -4.204
260 HG3 LYS 35 3HG LYS 35 24.565 17.983 -5.157
261 HD2 LYS 35 2HD LYS 35 25.780 17.796 -7.071
262 HD3 LYS 35 3HD LYS 35 26.861 19.125 -6.642
263 HE2 LYS 35 2HE LYS 35 26.934 16.509 -5.173
264 HE3 LYS 35 3HE LYS 35 27.816 16.738 -6.682
265 HZ1 LYS 35 3HZ LYS 35 29.030 17.190 -4.500
266 HZ2 LYS 35 1HZ LYS 35 28.134 18.624 -4.433
267 HZ3 LYS 35 2HZ LYS 35 29.179 18.339 -5.732
Start of MODEL 8
1 H1 LYS 1 H LYS 1 1.001 -2.214 0.292
2 HA LYS 1 HA LYS 1 2.161 -3.135 -1.719
3 HB2 LYS 1 2HB LYS 1 -0.414 -2.276 -2.798
4 HB3 LYS 1 3HB LYS 1 0.948 -1.718 -3.761
5 HG2 LYS 1 2HG LYS 1 1.594 -4.336 -3.298
6 HG3 LYS 1 3HG LYS 1 -0.164 -4.395 -3.456
7 HD2 LYS 1 2HD LYS 1 0.310 -2.858 -5.543
8 HD3 LYS 1 3HD LYS 1 1.905 -3.609 -5.454
9 HE2 LYS 1 2HE LYS 1 -0.263 -5.531 -5.185
10 HE3 LYS 1 3HE LYS 1 -0.326 -4.646 -6.709
11 HZ1 LYS 1 3HZ LYS 1 2.293 -5.281 -6.480
12 HZ2 LYS 1 1HZ LYS 1 1.159 -6.138 -7.399
13 HZ3 LYS 1 2HZ LYS 1 1.538 -6.649 -5.832
14 H VAL 2 H VAL 2 3.650 -1.773 -0.615
15 HA VAL 2 HA VAL 2 4.163 0.696 -2.035
16 HB VAL 2 HB VAL 2 3.600 0.688 0.929
17 HG11 VAL 2 1HG1 VAL 2 4.318 3.077 0.857
18 HG12 VAL 2 2HG1 VAL 2 5.631 1.921 0.632
19 HG13 VAL 2 3HG1 VAL 2 4.965 2.781 -0.756
20 HG21 VAL 2 3HG2 VAL 2 2.436 2.244 -1.379
21 HG22 VAL 2 1HG2 VAL 2 1.633 0.988 -0.436
22 HG23 VAL 2 2HG2 VAL 2 2.054 2.524 0.320
23 H GLY 3 H GLY 3 5.081 -1.523 0.560
24 HA2 GLY 3 2HA GLY 3 7.796 -0.648 0.696
25 HA3 GLY 3 3HA GLY 3 7.145 -2.125 1.389
26 H PHE 4 H PHE 4 6.125 -2.517 -1.571
27 HA PHE 4 HA PHE 4 8.387 -4.165 -2.318
28 HB2 PHE 4 2HB PHE 4 5.903 -3.831 -3.973
29 HB3 PHE 4 3HB PHE 4 6.949 -5.239 -3.823
30 HD1 PHE 4 HD1 PHE 4 4.415 -3.208 -2.057
31 HD2 PHE 4 HD2 PHE 4 6.524 -6.901 -2.220
32 HE1 PHE 4 HE1 PHE 4 2.899 -4.144 -0.360
33 HE2 PHE 4 HE2 PHE 4 5.011 -7.844 -0.524
34 HZ PHE 4 HZ PHE 4 3.196 -6.466 0.408
35 H PHE 5 H PHE 5 6.657 -1.349 -3.564
36 HA PHE 5 HA PHE 5 8.139 -1.138 -5.975
37 HB2 PHE 5 2HB PHE 5 6.715 1.096 -4.521
38 HB3 PHE 5 3HB PHE 5 7.096 1.014 -6.238
39 HD1 PHE 5 HD1 PHE 5 5.020 -0.472 -3.569
40 HD2 PHE 5 HD2 PHE 5 5.651 -0.052 -7.757
41 HE1 PHE 5 HE1 PHE 5 2.827 -1.502 -3.999
42 HE2 PHE 5 HE2 PHE 5 3.459 -1.080 -8.194
43 HZ PHE 5 HZ PHE 5 2.043 -1.806 -6.314
44 H LYS 6 H LYS 6 8.597 0.075 -2.725
45 HA LYS 6 HA LYS 6 10.485 2.061 -3.160
46 HB2 LYS 6 2HB LYS 6 10.111 0.128 -0.879
47 HB3 LYS 6 3HB LYS 6 11.344 1.382 -0.846
48 HG2 LYS 6 2HG LYS 6 8.377 1.829 -1.113
49 HG3 LYS 6 3HG LYS 6 9.342 2.077 0.344
50 HD2 LYS 6 2HD LYS 6 10.736 3.684 -1.100
51 HD3 LYS 6 3HD LYS 6 9.376 3.630 -2.225
52 HE2 LYS 6 2HE LYS 6 8.670 5.385 -0.985
53 HE3 LYS 6 3HE LYS 6 8.045 4.103 0.052
54 HZ1 LYS 6 3HZ LYS 6 9.907 4.305 1.483
55 HZ2 LYS 6 1HZ LYS 6 9.325 5.872 1.221
56 HZ3 LYS 6 2HZ LYS 6 10.715 5.341 0.418
57 H ARG 7 H ARG 7 10.836 -1.418 -3.200
58 HA ARG 7 HA ARG 7 13.717 -1.102 -3.718
59 HB2 ARG 7 2HB ARG 7 12.121 -3.169 -2.322
60 HB3 ARG 7 3HB ARG 7 13.451 -3.757 -3.312
61 HG2 ARG 7 2HG ARG 7 14.528 -3.495 -1.327
62 HG3 ARG 7 3HG ARG 7 14.789 -1.892 -2.018
63 HD2 ARG 7 2HD ARG 7 12.274 -1.987 -0.629
64 HD3 ARG 7 3HD ARG 7 13.576 -2.531 0.429
65 HE ARG 7 HE ARG 7 13.134 0.133 -0.542
66 HH11 ARG 7 1HH1 ARG 7 15.520 -2.119 0.624
67 HH12 ARG 7 2HH1 ARG 7 16.607 -0.885 1.171
68 HH21 ARG 7 1HH2 ARG 7 14.557 1.766 0.174
69 HH22 ARG 7 2HH2 ARG 7 16.057 1.324 0.916
70 H GLN 8 H GLN 8 10.717 -1.969 -5.087
71 HA GLN 8 HA GLN 8 11.904 -3.533 -7.236
72 HB2 GLN 8 2HB GLN 8 9.720 -4.182 -6.223
73 HB3 GLN 8 3HB GLN 8 9.026 -2.696 -6.856
74 HG2 GLN 8 2HG GLN 8 10.248 -3.920 -9.042
75 HG3 GLN 8 3HG GLN 8 9.452 -5.222 -8.159
76 HE21 GLN 8 1HE2 GLN 8 7.257 -3.971 -7.150
77 HE22 GLN 8 2HE2 GLN 8 6.229 -3.450 -8.437
78 H TYR 9 H TYR 9 10.170 -0.471 -6.796
79 HA TYR 9 HA TYR 9 10.236 0.296 -9.518
80 HB2 TYR 9 2HB TYR 9 8.669 1.292 -7.919
81 HB3 TYR 9 3HB TYR 9 10.010 2.010 -7.034
82 HD1 TYR 9 HD2 TYR 9 11.548 3.614 -8.410
83 HD2 TYR 9 HD1 TYR 9 7.597 2.532 -9.560
84 HE1 TYR 9 HE2 TYR 9 11.419 5.618 -9.830
85 HE2 TYR 9 HE1 TYR 9 7.457 4.532 -10.985
86 HH TYR 9 HH TYR 9 8.469 6.682 -11.244
87 H LYS 10 H LYS 10 12.379 0.943 -6.782
88 HA LYS 10 HA LYS 10 14.091 2.732 -8.173
89 HB2 LYS 10 2HB LYS 10 14.817 1.029 -5.789
90 HB3 LYS 10 3HB LYS 10 15.557 2.545 -6.283
91 HG2 LYS 10 2HG LYS 10 12.686 2.305 -5.424
92 HG3 LYS 10 3HG LYS 10 14.009 2.696 -4.324
93 HD2 LYS 10 2HD LYS 10 14.428 4.473 -6.350
94 HD3 LYS 10 3HD LYS 10 12.667 4.361 -6.331
95 HE2 LYS 10 2HE LYS 10 12.594 4.969 -4.013
96 HE3 LYS 10 3HE LYS 10 14.350 4.879 -3.885
97 HZ1 LYS 10 3HZ LYS 10 12.694 7.021 -4.842
98 HZ2 LYS 10 1HZ LYS 10 13.965 6.652 -5.895
99 HZ3 LYS 10 2HZ LYS 10 14.291 7.056 -4.285
100 H GLU 11 H GLU 11 14.133 -0.752 -7.615
101 HA GLU 11 HA GLU 11 16.693 -1.129 -8.857
102 HB2 GLU 11 2HB GLU 11 16.443 -3.395 -8.380
103 HB3 GLU 11 3HB GLU 11 15.537 -2.620 -7.089
104 HG2 GLU 11 2HG GLU 11 13.456 -3.035 -8.298
105 HG3 GLU 11 3HG GLU 11 14.365 -3.817 -9.589
106 H MET 12 H MET 12 13.416 -0.950 -9.924
107 HA MET 12 HA MET 12 13.916 -2.279 -12.445
108 HB2 MET 12 2HB MET 12 11.546 -0.956 -11.178
109 HB3 MET 12 3HB MET 12 11.544 -1.275 -12.907
110 HG2 MET 12 2HG MET 12 12.227 -3.481 -11.031
111 HG3 MET 12 3HG MET 12 10.543 -2.997 -11.218
112 HE1 MET 12 3HE MET 12 13.419 -4.919 -12.345
113 HE2 MET 12 1HE MET 12 12.064 -6.035 -12.171
114 HE3 MET 12 2HE MET 12 12.831 -5.818 -13.744
115 H MET 13 H MET 13 14.069 0.912 -11.161
116 HA MET 13 HA MET 13 13.928 2.209 -13.748
117 HB2 MET 13 2HB MET 13 13.180 3.132 -11.409
118 HB3 MET 13 3HB MET 13 14.874 3.583 -11.262
119 HG2 MET 13 2HG MET 13 13.801 5.481 -12.100
120 HG3 MET 13 3HG MET 13 14.608 4.757 -13.489
121 HE1 MET 13 3HE MET 13 12.870 5.902 -15.524
122 HE2 MET 13 1HE MET 13 11.333 6.429 -14.837
123 HE3 MET 13 2HE MET 13 12.846 6.845 -14.033
124 H GLU 14 H GLU 14 16.366 1.258 -11.401
125 HA GLU 14 HA GLU 14 18.516 2.593 -12.760
126 HB2 GLU 14 2HB GLU 14 19.967 1.407 -11.173
127 HB3 GLU 14 3HB GLU 14 18.632 2.208 -10.355
128 HG2 GLU 14 2HG GLU 14 18.399 0.254 -9.301
129 HG3 GLU 14 3HG GLU 14 17.574 -0.247 -10.776
130 H GLU 15 H GLU 15 16.957 -0.485 -12.972
131 HA GLU 15 HA GLU 15 19.121 -1.792 -14.352
132 HB2 GLU 15 2HB GLU 15 17.723 -3.687 -14.465
133 HB3 GLU 15 3HB GLU 15 17.353 -2.937 -12.919
134 HG2 GLU 15 2HG GLU 15 15.235 -3.250 -13.589
135 HG3 GLU 15 3HG GLU 15 15.510 -1.737 -14.451
136 H ALA 16 H ALA 16 16.256 0.007 -15.201
137 HA ALA 16 HA ALA 16 16.565 -0.652 -18.031
138 HB1 ALA 16 1HB ALA 16 14.457 0.515 -18.353
139 HB2 ALA 16 2HB ALA 16 14.310 -0.689 -17.072
140 HB3 ALA 16 3HB ALA 16 14.461 1.020 -16.664
141 H ASN 17 H ASN 17 17.641 1.648 -15.835
142 HA ASN 17 HA ASN 17 17.722 3.866 -17.699
143 HB2 ASN 17 2HB ASN 17 18.311 3.461 -14.827
144 HB3 ASN 17 3HB ASN 17 19.285 4.680 -15.644
145 HD21 ASN 17 1HD2 ASN 17 16.017 3.898 -16.571
146 HD22 ASN 17 2HD2 ASN 17 15.306 5.387 -16.059
147 H GLY 18 H GLY 18 19.557 1.125 -17.127
148 HA2 GLY 18 2HA GLY 18 21.369 0.804 -18.790
149 HA3 GLY 18 3HA GLY 18 21.938 2.401 -18.328
150 H GLN 19 H GLN 19 20.819 -0.251 -16.259
151 HA GLN 19 HA GLN 19 22.669 0.030 -14.264
152 HB2 GLN 19 2HB GLN 19 20.955 -1.461 -13.781
153 HB3 GLN 19 3HB GLN 19 21.154 -2.338 -15.293
154 HG2 GLN 19 2HG GLN 19 22.936 -3.570 -14.501
155 HG3 GLN 19 3HG GLN 19 23.316 -2.400 -13.238
156 HE21 GLN 19 1HE2 GLN 19 23.041 -3.328 -11.344
157 HE22 GLN 19 2HE2 GLN 19 21.701 -4.312 -10.876
158 H ILE 20 H ILE 20 23.139 -1.314 -17.417
159 HA ILE 20 HA ILE 20 25.907 -2.014 -16.681
160 HB ILE 20 HB ILE 20 24.701 -3.241 -19.101
161 HG12 ILE 20 2HG1 ILE 20 24.014 -5.159 -17.409
162 HG13 ILE 20 3HG1 ILE 20 23.839 -3.806 -16.296
163 HG21 ILE 20 1HG2 ILE 20 26.756 -4.121 -18.946
164 HG22 ILE 20 2HG2 ILE 20 26.909 -3.705 -17.240
165 HG23 ILE 20 3HG2 ILE 20 26.047 -5.168 -17.717
166 HD11 ILE 20 3HD1 ILE 20 21.740 -3.817 -17.101
167 HD12 ILE 20 1HD1 ILE 20 22.467 -2.841 -18.377
168 HD13 ILE 20 2HD1 ILE 20 22.210 -4.568 -18.626
169 H ALA 21 H ALA 21 23.925 0.004 -18.491
170 HA ALA 21 HA ALA 21 26.045 0.570 -20.449
171 HB1 ALA 21 1HB ALA 21 23.597 2.015 -20.921
172 HB2 ALA 21 2HB ALA 21 24.447 0.872 -21.962
173 HB3 ALA 21 3HB ALA 21 23.289 0.285 -20.768
174 HA PRO 22 HA PRO 22 26.989 4.509 -18.763
175 HB2 PRO 22 2HB PRO 22 27.119 6.118 -20.946
176 HB3 PRO 22 3HB PRO 22 28.336 4.888 -20.586
177 HG2 PRO 22 2HG PRO 22 26.024 4.766 -22.484
178 HG3 PRO 22 3HG PRO 22 27.692 4.209 -22.715
179 HD2 PRO 22 2HD PRO 22 25.665 2.523 -22.095
180 HD3 PRO 22 3HD PRO 22 27.333 2.253 -21.549
181 H GLU 23 H GLU 23 24.005 3.962 -20.200
182 HA GLU 23 HA GLU 23 22.886 6.547 -20.259
183 HB2 GLU 23 2HB GLU 23 21.759 3.777 -20.107
184 HB3 GLU 23 3HB GLU 23 20.695 5.159 -19.890
185 HG2 GLU 23 2HG GLU 23 20.526 5.352 -22.081
186 HG3 GLU 23 3HG GLU 23 22.255 5.682 -22.175
187 H ASN 24 H ASN 24 23.275 4.187 -17.692
188 HA ASN 24 HA ASN 24 21.541 5.155 -15.778
189 HB2 ASN 24 2HB ASN 24 23.621 3.294 -15.851
190 HB3 ASN 24 3HB ASN 24 24.094 4.435 -14.595
191 HD21 ASN 24 1HD2 ASN 24 21.213 2.691 -15.713
192 HD22 ASN 24 2HD2 ASN 24 20.644 2.276 -14.135
193 H GLY 25 H GLY 25 21.296 7.272 -15.362
194 HA2 GLY 25 2HA GLY 25 22.201 8.971 -13.803
195 HA3 GLY 25 3HA GLY 25 23.728 8.796 -14.655
196 H THR 26 H THR 26 21.099 8.613 -16.753
197 HA THR 26 HA THR 26 21.703 11.273 -17.782
198 HB THR 26 HB THR 26 20.226 10.549 -19.705
199 HG1 THR 26 HG1 THR 26 19.568 8.437 -19.779
200 HG21 THR 26 3HG2 THR 26 21.919 8.830 -20.528
201 HG22 THR 26 1HG2 THR 26 22.714 9.026 -18.967
202 HG23 THR 26 2HG2 THR 26 22.555 10.405 -20.055
203 H GLN 27 H GLN 27 18.782 9.364 -17.035
204 HA GLN 27 HA GLN 27 17.344 11.901 -16.624
205 HB2 GLN 27 2HB GLN 27 16.651 9.475 -18.032
206 HB3 GLN 27 3HB GLN 27 15.470 9.818 -16.775
207 HG2 GLN 27 2HG GLN 27 16.342 11.878 -18.775
208 HG3 GLN 27 3HG GLN 27 15.006 10.768 -19.070
209 HE21 GLN 27 1HE2 GLN 27 13.123 10.955 -17.843
210 HE22 GLN 27 2HE2 GLN 27 12.752 12.388 -16.952
211 H THR 28 H THR 28 18.710 9.317 -15.023
212 HA THR 28 HA THR 28 16.914 8.645 -13.020
213 HB THR 28 HB THR 28 19.390 8.737 -11.731
214 HG1 THR 28 HG1 THR 28 20.252 9.311 -13.853
215 HG21 THR 28 3HG2 THR 28 17.484 6.872 -12.395
216 HG22 THR 28 1HG2 THR 28 18.983 6.539 -11.529
217 HG23 THR 28 2HG2 THR 28 18.903 6.304 -13.275
218 HA PRO 29 HA PRO 29 16.481 12.115 -10.368
219 HB2 PRO 29 2HB PRO 29 16.454 10.959 -7.912
220 HB3 PRO 29 3HB PRO 29 15.114 10.815 -9.055
221 HG2 PRO 29 2HG PRO 29 17.313 8.873 -8.461
222 HG3 PRO 29 3HG PRO 29 15.583 8.566 -8.696
223 HD2 PRO 29 2HD PRO 29 17.415 8.134 -10.641
224 HD3 PRO 29 3HD PRO 29 15.752 8.644 -10.993
225 H SER 30 H SER 30 18.885 12.485 -11.152
226 HA SER 30 HA SER 30 21.066 11.978 -9.515
227 HB2 SER 30 2HB SER 30 20.454 13.751 -11.731
228 HB3 SER 30 3HB SER 30 21.538 14.522 -10.573
229 HG SER 30 HG SER 30 22.733 13.351 -12.087
230 HA PRO 31 HA PRO 31 20.622 14.470 -5.931
231 HB2 PRO 31 2HB PRO 31 23.197 15.179 -5.447
232 HB3 PRO 31 3HB PRO 31 22.586 13.541 -5.183
233 HG2 PRO 31 2HG PRO 31 24.136 14.634 -7.499
234 HG3 PRO 31 3HG PRO 31 24.333 13.090 -6.649
235 HD2 PRO 31 2HD PRO 31 23.043 13.294 -9.021
236 HD3 PRO 31 3HD PRO 31 22.593 12.097 -7.789
237 HA PRO 32 HA PRO 32 20.468 18.769 -6.844
238 HB2 PRO 32 2HB PRO 32 21.122 19.912 -4.470
239 HB3 PRO 32 3HB PRO 32 19.580 19.095 -4.750
240 HG2 PRO 32 2HG PRO 32 22.048 18.071 -3.401
241 HG3 PRO 32 3HG PRO 32 20.352 17.887 -2.919
242 HD2 PRO 32 2HD PRO 32 21.730 15.925 -4.176
243 HD3 PRO 32 3HD PRO 32 19.985 16.164 -4.404
244 H SER 33 H SER 33 23.427 17.422 -5.659
245 HA SER 33 HA SER 33 24.993 19.808 -6.066
246 HB2 SER 33 2HB SER 33 26.895 17.983 -5.826
247 HB3 SER 33 3HB SER 33 25.972 18.516 -4.421
248 HG SER 33 HG SER 33 25.714 16.407 -4.257
249 H GLU 34 H GLU 34 24.047 17.032 -7.916
250 HA GLU 34 HA GLU 34 25.978 17.677 -10.024
251 HB2 GLU 34 2HB GLU 34 24.225 15.291 -9.490
252 HB3 GLU 34 3HB GLU 34 24.976 15.539 -11.060
253 HG2 GLU 34 2HG GLU 34 27.102 15.857 -9.410
254 HG3 GLU 34 3HG GLU 34 26.149 14.671 -8.520
255 H LYS 35 H LYS 35 22.608 17.839 -9.243
256 HA LYS 35 HA LYS 35 20.797 18.685 -10.328
257 HB2 LYS 35 2HB LYS 35 22.401 20.631 -10.478
258 HB3 LYS 35 3HB LYS 35 22.797 20.087 -12.103
259 HG2 LYS 35 2HG LYS 35 20.763 20.707 -12.957
260 HG3 LYS 35 3HG LYS 35 19.943 20.562 -11.401
261 HD2 LYS 35 2HD LYS 35 20.052 22.813 -11.417
262 HD3 LYS 35 3HD LYS 35 21.704 22.544 -10.857
263 HE2 LYS 35 2HE LYS 35 21.090 22.631 -13.785
264 HE3 LYS 35 3HE LYS 35 21.274 24.127 -12.870
265 HZ1 LYS 35 3HZ LYS 35 23.313 21.972 -12.934
266 HZ2 LYS 35 1HZ LYS 35 23.481 23.520 -12.271
267 HZ3 LYS 35 2HZ LYS 35 23.343 23.328 -13.946
Start of MODEL 9
1 H1 LYS 1 H LYS 1 1.813 0.327 0.764
2 HA LYS 1 HA LYS 1 2.616 -0.903 -1.261
3 HB2 LYS 1 2HB LYS 1 0.186 0.437 -2.226
4 HB3 LYS 1 3HB LYS 1 1.556 0.562 -3.321
5 HG2 LYS 1 2HG LYS 1 1.566 -2.095 -2.584
6 HG3 LYS 1 3HG LYS 1 -0.150 -1.706 -2.723
7 HD2 LYS 1 2HD LYS 1 1.972 -1.273 -4.826
8 HD3 LYS 1 3HD LYS 1 0.696 -2.493 -4.854
9 HE2 LYS 1 2HE LYS 1 -0.966 -0.615 -4.795
10 HE3 LYS 1 3HE LYS 1 0.381 0.500 -5.014
11 HZ1 LYS 1 3HZ LYS 1 -0.987 -0.472 -7.038
12 HZ2 LYS 1 1HZ LYS 1 0.162 -1.707 -6.908
13 HZ3 LYS 1 2HZ LYS 1 0.661 -0.111 -7.161
14 H VAL 2 H VAL 2 4.417 0.203 -0.357
15 HA VAL 2 HA VAL 2 5.256 2.463 -1.959
16 HB VAL 2 HB VAL 2 4.947 2.695 1.032
17 HG11 VAL 2 1HG1 VAL 2 6.550 4.404 -0.863
18 HG12 VAL 2 2HG1 VAL 2 6.097 4.896 0.770
19 HG13 VAL 2 3HG1 VAL 2 7.144 3.496 0.527
20 HG21 VAL 2 3HG2 VAL 2 3.734 4.766 0.428
21 HG22 VAL 2 1HG2 VAL 2 3.921 4.345 -1.274
22 HG23 VAL 2 2HG2 VAL 2 2.969 3.310 -0.209
23 H GLY 3 H GLY 3 5.962 0.221 0.680
24 HA2 GLY 3 2HA GLY 3 8.793 0.576 0.577
25 HA3 GLY 3 3HA GLY 3 7.939 -0.732 1.382
26 H PHE 4 H PHE 4 6.631 -1.036 -1.468
27 HA PHE 4 HA PHE 4 8.490 -3.093 -2.300
28 HB2 PHE 4 2HB PHE 4 5.985 -2.358 -3.787
29 HB3 PHE 4 3HB PHE 4 6.766 -3.930 -3.647
30 HD1 PHE 4 HD2 PHE 4 4.801 -1.407 -1.790
31 HD2 PHE 4 HD1 PHE 4 6.164 -5.436 -1.954
32 HE1 PHE 4 HE2 PHE 4 3.280 -1.993 0.053
33 HE2 PHE 4 HE1 PHE 4 4.644 -6.028 -0.112
34 HZ PHE 4 HZ PHE 4 3.201 -4.306 0.895
35 H PHE 5 H PHE 5 7.183 -0.064 -3.576
36 HA PHE 5 HA PHE 5 8.482 -0.204 -6.087
37 HB2 PHE 5 2HB PHE 5 7.633 2.302 -4.627
38 HB3 PHE 5 3HB PHE 5 7.849 2.103 -6.363
39 HD1 PHE 5 HD1 PHE 5 5.759 1.105 -3.484
40 HD2 PHE 5 HD2 PHE 5 6.106 1.301 -7.721
41 HE1 PHE 5 HE1 PHE 5 3.384 0.503 -3.703
42 HE2 PHE 5 HE2 PHE 5 3.731 0.700 -7.947
43 HZ PHE 5 HZ PHE 5 2.366 0.301 -5.936
44 H LYS 6 H LYS 6 9.438 1.000 -2.942
45 HA LYS 6 HA LYS 6 11.619 2.575 -3.608
46 HB2 LYS 6 2HB LYS 6 10.638 1.210 -1.244
47 HB3 LYS 6 3HB LYS 6 12.396 1.197 -1.304
48 HG2 LYS 6 2HG LYS 6 12.438 3.281 -0.572
49 HG3 LYS 6 3HG LYS 6 11.527 3.805 -1.990
50 HD2 LYS 6 2HD LYS 6 9.513 3.752 -0.884
51 HD3 LYS 6 3HD LYS 6 10.058 2.532 0.270
52 HE2 LYS 6 2HE LYS 6 11.408 5.171 0.334
53 HE3 LYS 6 3HE LYS 6 9.748 5.100 0.922
54 HZ1 LYS 6 3HZ LYS 6 10.576 4.364 2.827
55 HZ2 LYS 6 1HZ LYS 6 12.132 4.211 2.179
56 HZ3 LYS 6 2HZ LYS 6 11.029 2.935 2.042
57 H ARG 7 H ARG 7 11.328 -0.915 -3.494
58 HA ARG 7 HA ARG 7 14.157 -1.162 -4.263
59 HB2 ARG 7 2HB ARG 7 12.344 -2.806 -2.633
60 HB3 ARG 7 3HB ARG 7 13.325 -3.719 -3.772
61 HG2 ARG 7 2HG ARG 7 14.588 -3.689 -1.818
62 HG3 ARG 7 3HG ARG 7 15.313 -2.428 -2.818
63 HD2 ARG 7 2HD ARG 7 14.935 -0.928 -1.226
64 HD3 ARG 7 3HD ARG 7 13.207 -1.271 -1.294
65 HE ARG 7 HE ARG 7 14.407 -3.279 0.216
66 HH11 ARG 7 1HH1 ARG 7 13.868 0.156 0.387
67 HH12 ARG 7 2HH1 ARG 7 13.829 0.196 2.119
68 HH21 ARG 7 1HH2 ARG 7 14.358 -3.240 2.497
69 HH22 ARG 7 2HH2 ARG 7 14.109 -1.736 3.318
70 H GLN 8 H GLN 8 10.935 -1.504 -5.362
71 HA GLN 8 HA GLN 8 11.639 -3.277 -7.555
72 HB2 GLN 8 2HB GLN 8 9.060 -2.010 -6.655
73 HB3 GLN 8 3HB GLN 8 9.191 -2.865 -8.186
74 HG2 GLN 8 2HG GLN 8 10.173 -4.304 -5.810
75 HG3 GLN 8 3HG GLN 8 8.435 -4.021 -5.890
76 HE21 GLN 8 1HE2 GLN 8 10.652 -6.253 -6.493
77 HE22 GLN 8 2HE2 GLN 8 9.941 -7.069 -7.839
78 H TYR 9 H TYR 9 10.519 0.060 -7.097
79 HA TYR 9 HA TYR 9 10.513 0.768 -9.824
80 HB2 TYR 9 2HB TYR 9 9.343 2.080 -8.111
81 HB3 TYR 9 3HB TYR 9 10.885 2.531 -7.392
82 HD1 TYR 9 HD1 TYR 9 12.556 3.766 -8.981
83 HD2 TYR 9 HD2 TYR 9 8.368 3.484 -9.677
84 HE1 TYR 9 HE1 TYR 9 12.676 5.727 -10.460
85 HE2 TYR 9 HE2 TYR 9 8.476 5.444 -11.159
86 HH TYR 9 HH TYR 9 9.953 6.744 -12.388
87 H LYS 10 H LYS 10 12.988 1.036 -7.310
88 HA LYS 10 HA LYS 10 14.887 2.406 -8.911
89 HB2 LYS 10 2HB LYS 10 16.350 2.185 -7.121
90 HB3 LYS 10 3HB LYS 10 14.780 2.118 -6.331
91 HG2 LYS 10 2HG LYS 10 14.948 -0.375 -6.395
92 HG3 LYS 10 3HG LYS 10 16.605 -0.186 -6.972
93 HD2 LYS 10 2HD LYS 10 15.852 1.320 -4.536
94 HD3 LYS 10 3HD LYS 10 15.985 -0.433 -4.381
95 HE2 LYS 10 2HE LYS 10 18.210 -0.351 -4.452
96 HE3 LYS 10 3HE LYS 10 18.194 0.675 -5.885
97 HZ1 LYS 10 3HZ LYS 10 17.438 2.045 -3.470
98 HZ2 LYS 10 1HZ LYS 10 18.545 2.495 -4.668
99 HZ3 LYS 10 2HZ LYS 10 19.019 1.443 -3.432
100 H GLU 11 H GLU 11 14.080 -0.959 -8.468
101 HA GLU 11 HA GLU 11 16.460 -1.961 -9.728
102 HB2 GLU 11 2HB GLU 11 13.957 -3.123 -8.633
103 HB3 GLU 11 3HB GLU 11 14.796 -4.060 -9.861
104 HG2 GLU 11 2HG GLU 11 16.862 -3.883 -8.477
105 HG3 GLU 11 3HG GLU 11 15.884 -3.136 -7.215
106 H MET 12 H MET 12 13.161 -1.240 -10.716
107 HA MET 12 HA MET 12 13.465 -2.365 -13.340
108 HB2 MET 12 2HB MET 12 11.254 -1.804 -13.690
109 HB3 MET 12 3HB MET 12 11.292 -1.949 -11.938
110 HG2 MET 12 2HG MET 12 10.256 0.034 -12.010
111 HG3 MET 12 3HG MET 12 11.893 0.657 -12.205
112 HE1 MET 12 3HE MET 12 8.605 1.955 -14.169
113 HE2 MET 12 1HE MET 12 9.472 2.055 -12.637
114 HE3 MET 12 2HE MET 12 9.994 3.031 -14.010
115 H MET 13 H MET 13 14.224 0.629 -11.845
116 HA MET 13 HA MET 13 14.261 2.140 -14.315
117 HB2 MET 13 2HB MET 13 13.650 3.358 -12.349
118 HB3 MET 13 3HB MET 13 15.079 2.803 -11.487
119 HG2 MET 13 2HG MET 13 15.578 4.291 -13.977
120 HG3 MET 13 3HG MET 13 14.867 5.211 -12.653
121 HE1 MET 13 3HE MET 13 17.437 5.142 -9.879
122 HE2 MET 13 1HE MET 13 15.748 5.332 -10.351
123 HE3 MET 13 2HE MET 13 16.386 3.729 -9.986
124 H GLU 14 H GLU 14 16.555 0.580 -12.148
125 HA GLU 14 HA GLU 14 18.878 1.585 -13.482
126 HB2 GLU 14 2HB GLU 14 20.134 0.153 -12.041
127 HB3 GLU 14 3HB GLU 14 18.814 0.821 -11.091
128 HG2 GLU 14 2HG GLU 14 17.568 -1.249 -11.326
129 HG3 GLU 14 3HG GLU 14 18.850 -1.922 -12.332
130 H GLU 15 H GLU 15 16.794 -1.175 -13.858
131 HA GLU 15 HA GLU 15 18.603 -2.681 -15.495
132 HB2 GLU 15 2HB GLU 15 16.811 -4.220 -15.796
133 HB3 GLU 15 3HB GLU 15 16.727 -3.662 -14.131
134 HG2 GLU 15 2HG GLU 15 14.918 -2.164 -14.681
135 HG3 GLU 15 3HG GLU 15 15.040 -2.599 -16.384
136 H ALA 16 H ALA 16 16.079 -0.321 -16.039
137 HA ALA 16 HA ALA 16 16.218 -0.700 -18.931
138 HB1 ALA 16 1HB ALA 16 14.351 0.839 -19.053
139 HB2 ALA 16 2HB ALA 16 14.017 -0.427 -17.871
140 HB3 ALA 16 3HB ALA 16 14.492 1.183 -17.329
141 H ASN 17 H ASN 17 17.777 1.084 -16.567
142 HA ASN 17 HA ASN 17 18.204 3.467 -18.156
143 HB2 ASN 17 2HB ASN 17 18.800 2.595 -15.402
144 HB3 ASN 17 3HB ASN 17 20.009 3.653 -16.123
145 HD21 ASN 17 1HD2 ASN 17 16.623 3.754 -16.950
146 HD22 ASN 17 2HD2 ASN 17 16.293 5.291 -16.233
147 H GLY 18 H GLY 18 19.528 0.379 -17.998
148 HA2 GLY 18 2HA GLY 18 21.148 -0.079 -19.818
149 HA3 GLY 18 3HA GLY 18 22.024 1.339 -19.259
150 H GLN 19 H GLN 19 20.571 -1.277 -17.358
151 HA GLN 19 HA GLN 19 22.559 -1.530 -15.496
152 HB2 GLN 19 2HB GLN 19 20.487 -2.690 -15.195
153 HB3 GLN 19 3HB GLN 19 20.744 -3.647 -16.648
154 HG2 GLN 19 2HG GLN 19 22.894 -3.952 -14.723
155 HG3 GLN 19 3HG GLN 19 21.321 -4.404 -14.067
156 HE21 GLN 19 1HE2 GLN 19 23.831 -5.865 -15.060
157 HE22 GLN 19 2HE2 GLN 19 23.191 -7.121 -16.059
158 H ILE 20 H ILE 20 22.590 -2.596 -18.786
159 HA ILE 20 HA ILE 20 25.214 -3.860 -18.332
160 HB ILE 20 HB ILE 20 23.674 -4.548 -20.776
161 HG12 ILE 20 2HG1 ILE 20 22.730 -6.499 -19.251
162 HG13 ILE 20 3HG1 ILE 20 22.868 -5.275 -17.993
163 HG21 ILE 20 1HG2 ILE 20 25.848 -5.628 -19.142
164 HG22 ILE 20 2HG2 ILE 20 24.702 -6.839 -19.714
165 HG23 ILE 20 3HG2 ILE 20 25.532 -5.797 -20.869
166 HD11 ILE 20 3HD1 ILE 20 21.597 -3.846 -19.864
167 HD12 ILE 20 1HD1 ILE 20 21.006 -5.458 -20.265
168 HD13 ILE 20 2HD1 ILE 20 20.767 -4.810 -18.642
169 H ALA 21 H ALA 21 23.550 -1.323 -19.786
170 HA ALA 21 HA ALA 21 25.662 -0.913 -21.793
171 HB1 ALA 21 1HB ALA 21 24.042 -0.311 -23.179
172 HB2 ALA 21 2HB ALA 21 22.849 -0.616 -21.915
173 HB3 ALA 21 3HB ALA 21 23.567 0.986 -22.082
174 HA PRO 22 HA PRO 22 27.316 2.606 -19.761
175 HB2 PRO 22 2HB PRO 22 27.664 4.390 -21.777
176 HB3 PRO 22 3HB PRO 22 28.660 2.942 -21.594
177 HG2 PRO 22 2HG PRO 22 26.313 3.412 -23.392
178 HG3 PRO 22 3HG PRO 22 27.853 2.609 -23.749
179 HD2 PRO 22 2HD PRO 22 25.584 1.233 -23.212
180 HD3 PRO 22 3HD PRO 22 27.194 0.630 -22.769
181 H GLU 23 H GLU 23 24.243 2.719 -21.102
182 HA GLU 23 HA GLU 23 23.584 5.448 -20.863
183 HB2 GLU 23 2HB GLU 23 22.028 2.900 -20.972
184 HB3 GLU 23 3HB GLU 23 21.199 4.375 -20.495
185 HG2 GLU 23 2HG GLU 23 22.168 5.394 -22.627
186 HG3 GLU 23 3HG GLU 23 22.525 3.735 -23.102
187 H ASN 24 H ASN 24 23.724 2.833 -18.546
188 HA ASN 24 HA ASN 24 22.212 3.884 -16.470
189 HB2 ASN 24 2HB ASN 24 23.867 1.681 -16.820
190 HB3 ASN 24 3HB ASN 24 24.643 2.584 -15.522
191 HD21 ASN 24 1HD2 ASN 24 21.457 1.428 -16.548
192 HD22 ASN 24 2HD2 ASN 24 20.896 1.042 -14.960
193 H GLY 25 H GLY 25 22.379 5.963 -15.861
194 HA2 GLY 25 2HA GLY 25 23.606 7.321 -14.202
195 HA3 GLY 25 3HA GLY 25 25.068 6.923 -15.092
196 H THR 26 H THR 26 23.152 7.261 -17.560
197 HA THR 26 HA THR 26 23.834 10.070 -17.931
198 HB THR 26 HB THR 26 23.305 9.733 -20.278
199 HG1 THR 26 HG1 THR 26 21.900 8.237 -20.759
200 HG21 THR 26 3HG2 THR 26 25.478 8.820 -19.133
201 HG22 THR 26 1HG2 THR 26 25.139 8.441 -20.821
202 HG23 THR 26 2HG2 THR 26 24.804 7.249 -19.565
203 H GLN 27 H GLN 27 21.007 7.974 -17.797
204 HA GLN 27 HA GLN 27 19.286 10.355 -17.981
205 HB2 GLN 27 2HB GLN 27 19.120 8.175 -19.537
206 HB3 GLN 27 3HB GLN 27 18.106 7.640 -18.203
207 HG2 GLN 27 2HG GLN 27 16.659 9.547 -18.480
208 HG3 GLN 27 3HG GLN 27 17.713 10.201 -19.733
209 HE21 GLN 27 1HE2 GLN 27 17.843 9.103 -21.740
210 HE22 GLN 27 2HE2 GLN 27 16.556 8.083 -22.275
211 H THR 28 H THR 28 20.638 8.334 -15.779
212 HA THR 28 HA THR 28 18.731 7.449 -14.043
213 HB THR 28 HB THR 28 20.990 6.997 -13.496
214 HG1 THR 28 HG1 THR 28 20.914 7.429 -11.354
215 HG21 THR 28 3HG2 THR 28 21.438 9.965 -13.163
216 HG22 THR 28 1HG2 THR 28 21.954 9.018 -14.558
217 HG23 THR 28 2HG2 THR 28 22.640 8.690 -12.966
218 HA PRO 29 HA PRO 29 16.481 10.925 -12.556
219 HB2 PRO 29 2HB PRO 29 15.685 9.956 -10.148
220 HB3 PRO 29 3HB PRO 29 14.996 9.407 -11.680
221 HG2 PRO 29 2HG PRO 29 17.103 8.125 -9.984
222 HG3 PRO 29 3HG PRO 29 15.727 7.376 -10.813
223 HD2 PRO 29 2HD PRO 29 18.243 7.301 -11.808
224 HD3 PRO 29 3HD PRO 29 16.806 7.350 -12.849
225 H SER 30 H SER 30 18.899 11.797 -12.400
226 HA SER 30 HA SER 30 20.231 11.978 -9.972
227 HB2 SER 30 2HB SER 30 20.543 14.473 -11.279
228 HB3 SER 30 3HB SER 30 21.638 13.091 -11.311
229 HG SER 30 HG SER 30 20.932 12.565 -13.238
230 HA PRO 31 HA PRO 31 17.853 14.590 -7.368
231 HB2 PRO 31 2HB PRO 31 19.800 15.941 -6.043
232 HB3 PRO 31 3HB PRO 31 19.447 14.233 -5.752
233 HG2 PRO 31 2HG PRO 31 21.605 15.464 -7.422
234 HG3 PRO 31 3HG PRO 31 21.702 14.093 -6.301
235 HD2 PRO 31 2HD PRO 31 21.530 13.771 -8.984
236 HD3 PRO 31 3HD PRO 31 20.827 12.613 -7.836
237 HA PRO 32 HA PRO 32 17.315 18.626 -9.027
238 HB2 PRO 32 2HB PRO 32 16.674 20.096 -6.836
239 HB3 PRO 32 3HB PRO 32 15.577 18.908 -7.550
240 HG2 PRO 32 2HG PRO 32 17.379 18.635 -5.175
241 HG3 PRO 32 3HG PRO 32 15.704 18.088 -5.378
242 HD2 PRO 32 2HD PRO 32 17.821 16.417 -5.612
243 HD3 PRO 32 3HD PRO 32 16.329 16.204 -6.550
244 H SER 33 H SER 33 18.051 20.900 -8.932
245 HA SER 33 HA SER 33 20.871 21.032 -8.595
246 HB2 SER 33 2HB SER 33 19.051 22.429 -10.086
247 HB3 SER 33 3HB SER 33 19.445 23.598 -8.826
248 HG SER 33 HG SER 33 20.925 22.792 -10.940
249 H GLU 34 H GLU 34 18.143 21.925 -6.629
250 HA GLU 34 HA GLU 34 19.658 23.583 -4.830
251 HB2 GLU 34 2HB GLU 34 16.958 22.356 -4.291
252 HB3 GLU 34 3HB GLU 34 17.646 23.810 -3.581
253 HG2 GLU 34 2HG GLU 34 17.581 24.852 -5.848
254 HG3 GLU 34 3HG GLU 34 16.699 23.433 -6.410
255 H LYS 35 H LYS 35 18.850 20.225 -5.099
256 HA LYS 35 HA LYS 35 19.293 18.400 -3.808
257 HB2 LYS 35 2HB LYS 35 21.608 19.461 -4.304
258 HB3 LYS 35 3HB LYS 35 21.579 19.942 -2.613
259 HG2 LYS 35 2HG LYS 35 20.887 17.176 -2.824
260 HG3 LYS 35 3HG LYS 35 22.388 17.483 -3.702
261 HD2 LYS 35 2HD LYS 35 22.073 18.688 -1.001
262 HD3 LYS 35 3HD LYS 35 22.371 16.951 -1.106
263 HE2 LYS 35 2HE LYS 35 24.107 18.525 -2.842
264 HE3 LYS 35 3HE LYS 35 24.286 18.927 -1.134
265 HZ1 LYS 35 3HZ LYS 35 24.557 16.505 -0.717
266 HZ2 LYS 35 1HZ LYS 35 25.798 17.186 -1.643
267 HZ3 LYS 35 2HZ LYS 35 24.599 16.258 -2.390
Start of MODEL 10
1 H1 LYS 1 H LYS 1 1.092 -0.510 0.127
2 HA LYS 1 HA LYS 1 2.267 -1.729 -1.710
3 HB2 LYS 1 2HB LYS 1 -0.359 -1.338 -2.819
4 HB3 LYS 1 3HB LYS 1 0.847 -0.646 -3.896
5 HG2 LYS 1 2HG LYS 1 0.945 -2.729 -4.715
6 HG3 LYS 1 3HG LYS 1 2.002 -3.019 -3.332
7 HD2 LYS 1 2HD LYS 1 0.311 -4.060 -2.107
8 HD3 LYS 1 3HD LYS 1 -0.969 -3.359 -3.100
9 HE2 LYS 1 2HE LYS 1 -0.856 -5.620 -3.737
10 HE3 LYS 1 3HE LYS 1 -0.025 -4.735 -5.016
11 HZ1 LYS 1 3HZ LYS 1 1.112 -6.468 -2.925
12 HZ2 LYS 1 1HZ LYS 1 2.064 -5.254 -3.622
13 HZ3 LYS 1 2HZ LYS 1 1.403 -6.472 -4.592
14 H VAL 2 H VAL 2 3.691 -0.117 -0.871
15 HA VAL 2 HA VAL 2 4.107 2.058 -2.731
16 HB VAL 2 HB VAL 2 3.523 2.595 0.180
17 HG11 VAL 2 1HG1 VAL 2 4.793 4.384 -1.886
18 HG12 VAL 2 2HG1 VAL 2 4.124 4.957 -0.357
19 HG13 VAL 2 3HG1 VAL 2 5.492 3.844 -0.360
20 HG21 VAL 2 3HG2 VAL 2 1.897 4.207 -0.774
21 HG22 VAL 2 1HG2 VAL 2 2.293 3.600 -2.383
22 HG23 VAL 2 2HG2 VAL 2 1.546 2.531 -1.195
23 H GLY 3 H GLY 3 5.094 0.416 0.240
24 HA2 GLY 3 2HA GLY 3 7.778 1.417 0.174
25 HA3 GLY 3 3HA GLY 3 7.177 0.112 1.187
26 H PHE 4 H PHE 4 6.174 -0.960 -1.611
27 HA PHE 4 HA PHE 4 8.487 -2.664 -1.980
28 HB2 PHE 4 2HB PHE 4 6.000 -2.787 -3.660
29 HB3 PHE 4 3HB PHE 4 7.087 -4.092 -3.196
30 HD1 PHE 4 HD2 PHE 4 4.468 -1.805 -1.949
31 HD2 PHE 4 HD1 PHE 4 6.720 -5.347 -1.241
32 HE1 PHE 4 HE2 PHE 4 2.972 -2.378 -0.082
33 HE2 PHE 4 HE1 PHE 4 5.226 -5.926 0.627
34 HZ PHE 4 HZ PHE 4 3.351 -4.441 1.209
35 H PHE 5 H PHE 5 6.629 -0.313 -3.866
36 HA PHE 5 HA PHE 5 8.137 -0.583 -6.247
37 HB2 PHE 5 2HB PHE 5 6.620 1.874 -5.359
38 HB3 PHE 5 3HB PHE 5 6.998 1.386 -7.008
39 HD1 PHE 5 HD1 PHE 5 4.960 0.580 -4.042
40 HD2 PHE 5 HD2 PHE 5 5.617 -0.124 -8.188
41 HE1 PHE 5 HE1 PHE 5 2.807 -0.602 -4.179
42 HE2 PHE 5 HE2 PHE 5 3.464 -1.306 -8.332
43 HZ PHE 5 HZ PHE 5 2.056 -1.546 -6.326
44 H LYS 6 H LYS 6 8.521 1.352 -3.359
45 HA LYS 6 HA LYS 6 10.312 3.278 -4.228
46 HB2 LYS 6 2HB LYS 6 9.626 2.032 -1.652
47 HB3 LYS 6 3HB LYS 6 11.244 2.718 -1.720
48 HG2 LYS 6 2HG LYS 6 9.419 4.234 -0.869
49 HG3 LYS 6 3HG LYS 6 10.423 4.877 -2.171
50 HD2 LYS 6 2HD LYS 6 8.708 4.935 -3.635
51 HD3 LYS 6 3HD LYS 6 8.017 3.423 -3.042
52 HE2 LYS 6 2HE LYS 6 6.481 5.205 -2.571
53 HE3 LYS 6 3HE LYS 6 7.183 4.650 -1.051
54 HZ1 LYS 6 3HZ LYS 6 8.568 6.840 -2.363
55 HZ2 LYS 6 1HZ LYS 6 8.230 6.598 -0.723
56 HZ3 LYS 6 2HZ LYS 6 7.034 7.208 -1.751
57 H ARG 7 H ARG 7 10.852 -0.100 -3.465
58 HA ARG 7 HA ARG 7 13.709 0.233 -4.087
59 HB2 ARG 7 2HB ARG 7 12.354 -1.225 -2.048
60 HB3 ARG 7 3HB ARG 7 13.147 -2.383 -3.107
61 HG2 ARG 7 2HG ARG 7 14.817 -1.990 -1.610
62 HG3 ARG 7 3HG ARG 7 15.190 -0.759 -2.818
63 HD2 ARG 7 2HD ARG 7 14.716 0.926 -1.416
64 HD3 ARG 7 3HD ARG 7 13.285 0.116 -0.780
65 HE ARG 7 HE ARG 7 14.541 -0.609 0.982
66 HH11 ARG 7 1HH1 ARG 7 16.676 0.326 -1.604
67 HH12 ARG 7 2HH1 ARG 7 18.116 0.123 -0.663
68 HH21 ARG 7 1HH2 ARG 7 16.430 -0.880 2.231
69 HH22 ARG 7 2HH2 ARG 7 17.975 -0.563 1.518
70 H GLN 8 H GLN 8 10.755 -1.090 -5.193
71 HA GLN 8 HA GLN 8 12.026 -3.000 -6.979
72 HB2 GLN 8 2HB GLN 8 9.157 -2.274 -6.422
73 HB3 GLN 8 3HB GLN 8 9.609 -3.341 -7.744
74 HG2 GLN 8 2HG GLN 8 10.481 -3.883 -4.931
75 HG3 GLN 8 3HG GLN 8 8.902 -4.394 -5.526
76 HE21 GLN 8 1HE2 GLN 8 12.235 -5.057 -5.421
77 HE22 GLN 8 2HE2 GLN 8 12.229 -6.457 -6.434
78 H TYR 9 H TYR 9 10.106 -0.023 -7.207
79 HA TYR 9 HA TYR 9 10.133 0.157 -10.018
80 HB2 TYR 9 2HB TYR 9 8.564 1.425 -8.616
81 HB3 TYR 9 3HB TYR 9 9.899 2.371 -7.968
82 HD1 TYR 9 HD2 TYR 9 11.329 3.665 -9.736
83 HD2 TYR 9 HD1 TYR 9 7.388 2.226 -10.447
84 HE1 TYR 9 HE2 TYR 9 11.073 5.287 -11.568
85 HE2 TYR 9 HE1 TYR 9 7.122 3.843 -12.282
86 HH TYR 9 HH TYR 9 8.587 6.392 -12.714
87 H LYS 10 H LYS 10 12.274 1.503 -7.539
88 HA LYS 10 HA LYS 10 13.900 2.995 -9.307
89 HB2 LYS 10 2HB LYS 10 15.294 3.392 -7.472
90 HB3 LYS 10 3HB LYS 10 13.712 3.155 -6.741
91 HG2 LYS 10 2HG LYS 10 14.345 0.791 -6.292
92 HG3 LYS 10 3HG LYS 10 15.968 1.168 -6.874
93 HD2 LYS 10 2HD LYS 10 14.790 2.906 -4.766
94 HD3 LYS 10 3HD LYS 10 15.346 1.296 -4.304
95 HE2 LYS 10 2HE LYS 10 17.415 2.212 -5.844
96 HE3 LYS 10 3HE LYS 10 16.873 3.682 -5.035
97 HZ1 LYS 10 3HZ LYS 10 18.542 2.606 -3.714
98 HZ2 LYS 10 1HZ LYS 10 17.689 1.145 -3.726
99 HZ3 LYS 10 2HZ LYS 10 17.059 2.485 -2.910
100 H GLU 11 H GLU 11 13.936 -0.342 -8.255
101 HA GLU 11 HA GLU 11 16.548 -0.920 -9.278
102 HB2 GLU 11 2HB GLU 11 14.293 -2.513 -8.146
103 HB3 GLU 11 3HB GLU 11 15.515 -3.355 -9.087
104 HG2 GLU 11 2HG GLU 11 16.350 -1.528 -6.885
105 HG3 GLU 11 3HG GLU 11 15.759 -3.146 -6.510
106 H MET 12 H MET 12 13.254 -1.184 -10.484
107 HA MET 12 HA MET 12 13.970 -2.628 -12.849
108 HB2 MET 12 2HB MET 12 11.503 -1.322 -11.802
109 HB3 MET 12 3HB MET 12 11.592 -1.661 -13.526
110 HG2 MET 12 2HG MET 12 12.025 -4.022 -13.027
111 HG3 MET 12 3HG MET 12 11.890 -3.669 -11.305
112 HE1 MET 12 3HE MET 12 8.337 -4.035 -10.527
113 HE2 MET 12 1HE MET 12 10.034 -4.273 -10.109
114 HE3 MET 12 2HE MET 12 9.382 -2.640 -10.254
115 H MET 13 H MET 13 13.875 0.705 -11.926
116 HA MET 13 HA MET 13 13.850 1.727 -14.620
117 HB2 MET 13 2HB MET 13 13.156 2.825 -12.263
118 HB3 MET 13 3HB MET 13 14.799 3.439 -12.393
119 HG2 MET 13 2HG MET 13 13.626 3.844 -14.903
120 HG3 MET 13 3HG MET 13 12.415 4.317 -13.713
121 HE1 MET 13 3HE MET 13 13.524 7.696 -14.675
122 HE2 MET 13 1HE MET 13 12.334 6.395 -14.721
123 HE3 MET 13 2HE MET 13 12.597 7.297 -13.228
124 H GLU 14 H GLU 14 16.253 1.087 -12.126
125 HA GLU 14 HA GLU 14 18.420 2.311 -13.522
126 HB2 GLU 14 2HB GLU 14 18.067 0.721 -11.062
127 HB3 GLU 14 3HB GLU 14 19.634 0.552 -11.840
128 HG2 GLU 14 2HG GLU 14 20.202 2.750 -11.490
129 HG3 GLU 14 3HG GLU 14 18.524 3.276 -11.375
130 H GLU 15 H GLU 15 17.009 -0.887 -13.455
131 HA GLU 15 HA GLU 15 19.169 -2.185 -14.806
132 HB2 GLU 15 2HB GLU 15 17.932 -4.110 -14.636
133 HB3 GLU 15 3HB GLU 15 17.206 -3.167 -13.343
134 HG2 GLU 15 2HG GLU 15 15.507 -2.421 -15.115
135 HG3 GLU 15 3HG GLU 15 16.114 -3.779 -16.060
136 H ALA 16 H ALA 16 16.270 -0.504 -15.784
137 HA ALA 16 HA ALA 16 16.630 -1.304 -18.570
138 HB1 ALA 16 1HB ALA 16 14.503 -0.222 -18.983
139 HB2 ALA 16 2HB ALA 16 14.364 -1.320 -17.609
140 HB3 ALA 16 3HB ALA 16 14.482 0.419 -17.340
141 H ASN 17 H ASN 17 17.654 1.124 -16.496
142 HA ASN 17 HA ASN 17 17.707 3.245 -18.469
143 HB2 ASN 17 2HB ASN 17 18.286 2.994 -15.579
144 HB3 ASN 17 3HB ASN 17 19.256 4.178 -16.451
145 HD21 ASN 17 1HD2 ASN 17 16.004 3.329 -17.368
146 HD22 ASN 17 2HD2 ASN 17 15.278 4.835 -16.934
147 H GLY 18 H GLY 18 19.589 0.568 -17.741
148 HA2 GLY 18 2HA GLY 18 21.408 0.186 -19.384
149 HA3 GLY 18 3HA GLY 18 21.949 1.816 -19.010
150 H GLN 19 H GLN 19 20.867 -0.729 -16.794
151 HA GLN 19 HA GLN 19 22.716 -0.308 -14.820
152 HB2 GLN 19 2HB GLN 19 21.001 -1.785 -14.268
153 HB3 GLN 19 3HB GLN 19 21.248 -2.766 -15.707
154 HG2 GLN 19 2HG GLN 19 21.944 -3.923 -13.673
155 HG3 GLN 19 3HG GLN 19 23.289 -3.670 -14.784
156 HE21 GLN 19 1HE2 GLN 19 24.439 -4.149 -12.710
157 HE22 GLN 19 2HE2 GLN 19 24.828 -2.807 -11.695
158 H ILE 20 H ILE 20 23.197 -1.833 -17.889
159 HA ILE 20 HA ILE 20 25.974 -2.453 -17.119
160 HB ILE 20 HB ILE 20 24.777 -3.844 -19.453
161 HG12 ILE 20 2HG1 ILE 20 24.122 -5.661 -17.642
162 HG13 ILE 20 3HG1 ILE 20 23.934 -4.245 -16.614
163 HG21 ILE 20 1HG2 ILE 20 26.854 -4.666 -19.249
164 HG22 ILE 20 2HG2 ILE 20 26.989 -4.175 -17.562
165 HG23 ILE 20 3HG2 ILE 20 26.152 -5.670 -17.981
166 HD11 ILE 20 3HD1 ILE 20 21.832 -4.336 -17.407
167 HD12 ILE 20 1HD1 ILE 20 22.540 -3.428 -18.742
168 HD13 ILE 20 2HD1 ILE 20 22.306 -5.170 -18.886
169 H ALA 21 H ALA 21 23.962 -0.578 -19.047
170 HA ALA 21 HA ALA 21 26.075 -0.106 -21.038
171 HB1 ALA 21 1HB ALA 21 24.363 -0.291 -22.456
172 HB2 ALA 21 2HB ALA 21 23.169 -0.140 -21.166
173 HB3 ALA 21 3HB ALA 21 23.871 1.306 -21.892
174 HA PRO 22 HA PRO 22 26.949 3.948 -19.605
175 HB2 PRO 22 2HB PRO 22 27.061 5.415 -21.887
176 HB3 PRO 22 3HB PRO 22 28.296 4.230 -21.444
177 HG2 PRO 22 2HG PRO 22 25.994 3.949 -23.337
178 HG3 PRO 22 3HG PRO 22 27.672 3.406 -23.527
179 HD2 PRO 22 2HD PRO 22 25.670 1.730 -22.806
180 HD3 PRO 22 3HD PRO 22 27.340 1.523 -22.239
181 H GLU 23 H GLU 23 23.978 3.258 -21.004
182 HA GLU 23 HA GLU 23 22.818 5.816 -21.235
183 HB2 GLU 23 2HB GLU 23 21.749 3.039 -20.927
184 HB3 GLU 23 3HB GLU 23 20.651 4.402 -20.764
185 HG2 GLU 23 2HG GLU 23 22.152 4.882 -23.084
186 HG3 GLU 23 3HG GLU 23 21.689 3.182 -23.132
187 H ASN 24 H ASN 24 23.259 3.645 -18.518
188 HA ASN 24 HA ASN 24 21.496 4.693 -16.673
189 HB2 ASN 24 2HB ASN 24 23.617 2.882 -16.622
190 HB3 ASN 24 3HB ASN 24 24.068 4.117 -15.449
191 HD21 ASN 24 1HD2 ASN 24 21.213 2.253 -16.433
192 HD22 ASN 24 2HD2 ASN 24 20.663 1.929 -14.827
193 H GLY 25 H GLY 25 21.200 6.834 -16.428
194 HA2 GLY 25 2HA GLY 25 22.030 8.668 -14.995
195 HA3 GLY 25 3HA GLY 25 23.587 8.452 -15.780
196 H THR 26 H THR 26 20.697 8.219 -17.670
197 HA THR 26 HA THR 26 21.488 10.620 -19.127
198 HB THR 26 HB THR 26 19.389 8.552 -19.809
199 HG1 THR 26 HG1 THR 26 22.129 8.800 -20.357
200 HG21 THR 26 3HG2 THR 26 19.858 11.154 -20.855
201 HG22 THR 26 1HG2 THR 26 18.718 9.934 -21.421
202 HG23 THR 26 2HG2 THR 26 20.357 9.977 -22.071
203 H GLN 27 H GLN 27 18.330 9.241 -18.197
204 HA GLN 27 HA GLN 27 17.432 11.981 -17.587
205 HB2 GLN 27 2HB GLN 27 16.025 9.678 -18.895
206 HB3 GLN 27 3HB GLN 27 15.100 10.911 -18.048
207 HG2 GLN 27 2HG GLN 27 16.372 12.589 -19.509
208 HG3 GLN 27 3HG GLN 27 16.801 11.191 -20.494
209 HE21 GLN 27 1HE2 GLN 27 14.019 12.844 -19.066
210 HE22 GLN 27 2HE2 GLN 27 12.924 12.489 -20.353
211 H THR 28 H THR 28 18.273 9.119 -16.209
212 HA THR 28 HA THR 28 16.368 8.383 -14.399
213 HB THR 28 HB THR 28 18.337 7.114 -14.360
214 HG1 THR 28 HG1 THR 28 18.814 8.551 -11.991
215 HG21 THR 28 3HG2 THR 28 20.028 8.443 -15.218
216 HG22 THR 28 1HG2 THR 28 20.520 8.279 -13.533
217 HG23 THR 28 2HG2 THR 28 19.719 9.753 -14.077
218 HA PRO 29 HA PRO 29 15.600 11.782 -11.716
219 HB2 PRO 29 2HB PRO 29 14.843 10.449 -9.476
220 HB3 PRO 29 3HB PRO 29 13.822 10.567 -10.915
221 HG2 PRO 29 2HG PRO 29 15.590 8.321 -10.026
222 HG3 PRO 29 3HG PRO 29 13.950 8.256 -10.697
223 HD2 PRO 29 2HD PRO 29 16.155 7.749 -12.185
224 HD3 PRO 29 3HD PRO 29 14.693 8.492 -12.866
225 H SER 30 H SER 30 18.164 11.865 -11.871
226 HA SER 30 HA SER 30 19.595 11.045 -9.537
227 HB2 SER 30 2HB SER 30 21.461 11.750 -10.642
228 HB3 SER 30 3HB SER 30 20.376 11.724 -12.032
229 HG SER 30 HG SER 30 20.485 13.820 -12.136
230 HA PRO 31 HA PRO 31 18.851 14.384 -6.788
231 HB2 PRO 31 2HB PRO 31 21.258 14.606 -5.551
232 HB3 PRO 31 3HB PRO 31 20.148 13.261 -5.259
233 HG2 PRO 31 2HG PRO 31 22.562 13.376 -7.026
234 HG3 PRO 31 3HG PRO 31 22.042 12.087 -5.925
235 HD2 PRO 31 2HD PRO 31 21.629 11.975 -8.599
236 HD3 PRO 31 3HD PRO 31 20.508 11.250 -7.428
237 HA PRO 32 HA PRO 32 20.229 18.246 -8.374
238 HB2 PRO 32 2HB PRO 32 20.456 19.769 -6.138
239 HB3 PRO 32 3HB PRO 32 18.897 19.269 -6.805
240 HG2 PRO 32 2HG PRO 32 20.449 18.094 -4.531
241 HG3 PRO 32 3HG PRO 32 18.709 18.414 -4.651
242 HD2 PRO 32 2HD PRO 32 19.765 15.947 -5.013
243 HD3 PRO 32 3HD PRO 32 18.314 16.500 -5.873
244 H SER 33 H SER 33 21.948 19.945 -8.207
245 HA SER 33 HA SER 33 24.508 18.722 -8.117
246 HB2 SER 33 2HB SER 33 23.655 21.610 -8.391
247 HB3 SER 33 3HB SER 33 25.335 21.083 -8.488
248 HG SER 33 HG SER 33 24.906 20.008 -10.338
249 H GLU 34 H GLU 34 22.567 20.270 -5.760
250 HA GLU 34 HA GLU 34 24.841 20.805 -4.005
251 HB2 GLU 34 2HB GLU 34 23.232 21.905 -2.545
252 HB3 GLU 34 3HB GLU 34 23.088 22.519 -4.186
253 HG2 GLU 34 2HG GLU 34 21.047 21.513 -4.530
254 HG3 GLU 34 3HG GLU 34 21.319 20.295 -3.286
255 H LYS 35 H LYS 35 23.832 18.078 -4.769
256 HA LYS 35 HA LYS 35 22.527 16.881 -2.586
257 HB2 LYS 35 2HB LYS 35 23.352 14.753 -3.504
258 HB3 LYS 35 3HB LYS 35 22.677 15.786 -4.757
259 HG2 LYS 35 2HG LYS 35 24.547 15.240 -5.863
260 HG3 LYS 35 3HG LYS 35 25.273 16.511 -4.877
261 HD2 LYS 35 2HD LYS 35 26.391 15.034 -3.553
262 HD3 LYS 35 3HD LYS 35 25.145 13.793 -3.701
263 HE2 LYS 35 2HE LYS 35 26.472 14.370 -6.226
264 HE3 LYS 35 3HE LYS 35 27.589 13.813 -4.981
265 HZ1 LYS 35 3HZ LYS 35 26.818 11.896 -6.061
266 HZ2 LYS 35 1HZ LYS 35 25.208 12.416 -6.048
267 HZ3 LYS 35 2HZ LYS 35 25.957 11.947 -4.606
Start of MODEL 11
1 H1 LYS 1 H LYS 1 1.409 -1.239 0.792
2 HA LYS 1 HA LYS 1 2.351 -2.229 -1.299
3 HB2 LYS 1 2HB LYS 1 -0.136 -0.973 -2.233
4 HB3 LYS 1 3HB LYS 1 1.254 -0.668 -3.267
5 HG2 LYS 1 2HG LYS 1 1.422 -3.371 -2.750
6 HG3 LYS 1 3HG LYS 1 -0.312 -3.084 -2.914
7 HD2 LYS 1 2HD LYS 1 1.832 -2.339 -4.903
8 HD3 LYS 1 3HD LYS 1 0.644 -3.634 -5.072
9 HE2 LYS 1 2HE LYS 1 0.108 -0.669 -4.969
10 HE3 LYS 1 3HE LYS 1 -0.074 -1.734 -6.362
11 HZ1 LYS 1 3HZ LYS 1 -1.860 -1.286 -4.145
12 HZ2 LYS 1 1HZ LYS 1 -1.634 -2.921 -4.515
13 HZ3 LYS 1 2HZ LYS 1 -2.191 -1.855 -5.703
14 H VAL 2 H VAL 2 4.048 -1.089 -0.251
15 HA VAL 2 HA VAL 2 4.774 1.350 -1.630
16 HB VAL 2 HB VAL 2 4.377 1.302 1.359
17 HG11 VAL 2 1HG1 VAL 2 5.903 3.271 -0.337
18 HG12 VAL 2 2HG1 VAL 2 5.380 3.588 1.319
19 HG13 VAL 2 3HG1 VAL 2 6.525 2.287 0.988
20 HG21 VAL 2 3HG2 VAL 2 3.296 3.078 -0.826
21 HG22 VAL 2 1HG2 VAL 2 2.394 1.889 0.112
22 HG23 VAL 2 2HG2 VAL 2 3.037 3.329 0.900
23 H GLY 3 H GLY 3 5.563 -1.062 0.829
24 HA2 GLY 3 2HA GLY 3 8.367 -0.516 0.834
25 HA3 GLY 3 3HA GLY 3 7.583 -1.934 1.514
26 H PHE 4 H PHE 4 6.367 -2.069 -1.401
27 HA PHE 4 HA PHE 4 8.373 -3.941 -2.334
28 HB2 PHE 4 2HB PHE 4 5.855 -3.257 -3.823
29 HB3 PHE 4 3HB PHE 4 6.737 -4.780 -3.785
30 HD1 PHE 4 HD1 PHE 4 4.568 -2.546 -1.792
31 HD2 PHE 4 HD2 PHE 4 6.207 -6.450 -2.224
32 HE1 PHE 4 HE1 PHE 4 3.052 -3.373 -0.039
33 HE2 PHE 4 HE2 PHE 4 4.693 -7.283 -0.473
34 HZ PHE 4 HZ PHE 4 3.112 -5.744 0.622
35 H PHE 5 H PHE 5 6.945 -0.878 -3.345
36 HA PHE 5 HA PHE 5 8.284 -0.742 -5.847
37 HB2 PHE 5 2HB PHE 5 7.236 1.574 -4.213
38 HB3 PHE 5 3HB PHE 5 7.508 1.536 -5.952
39 HD1 PHE 5 HD2 PHE 5 5.423 0.148 -3.233
40 HD2 PHE 5 HD1 PHE 5 5.852 0.761 -7.423
41 HE1 PHE 5 HE2 PHE 5 3.099 -0.585 -3.575
42 HE2 PHE 5 HE1 PHE 5 3.529 0.030 -7.772
43 HZ PHE 5 HZ PHE 5 2.150 -0.645 -5.847
44 H LYS 6 H LYS 6 9.076 0.287 -2.592
45 HA LYS 6 HA LYS 6 11.175 2.030 -3.087
46 HB2 LYS 6 2HB LYS 6 11.759 1.778 -0.854
47 HB3 LYS 6 3HB LYS 6 10.067 1.296 -0.852
48 HG2 LYS 6 2HG LYS 6 10.996 -1.098 -1.158
49 HG3 LYS 6 3HG LYS 6 12.514 -0.400 -0.589
50 HD2 LYS 6 2HD LYS 6 10.167 0.318 1.018
51 HD3 LYS 6 3HD LYS 6 10.555 -1.404 1.020
52 HE2 LYS 6 2HE LYS 6 11.978 -0.852 2.667
53 HE3 LYS 6 3HE LYS 6 13.017 -0.306 1.351
54 HZ1 LYS 6 3HZ LYS 6 11.061 1.614 2.321
55 HZ2 LYS 6 1HZ LYS 6 12.670 1.848 1.852
56 HZ3 LYS 6 2HZ LYS 6 12.318 1.237 3.389
57 H ARG 7 H ARG 7 11.070 -1.456 -3.268
58 HA ARG 7 HA ARG 7 13.941 -1.497 -3.921
59 HB2 ARG 7 2HB ARG 7 12.100 -3.570 -2.764
60 HB3 ARG 7 3HB ARG 7 13.595 -4.040 -3.561
61 HG2 ARG 7 2HG ARG 7 14.872 -3.359 -1.849
62 HG3 ARG 7 3HG ARG 7 13.888 -1.925 -1.551
63 HD2 ARG 7 2HD ARG 7 13.353 -3.073 0.328
64 HD3 ARG 7 3HD ARG 7 12.157 -3.792 -0.750
65 HE ARG 7 HE ARG 7 14.592 -5.249 -0.812
66 HH11 ARG 7 1HH1 ARG 7 11.754 -4.687 1.124
67 HH12 ARG 7 2HH1 ARG 7 11.813 -6.237 1.895
68 HH21 ARG 7 1HH2 ARG 7 14.680 -7.293 0.195
69 HH22 ARG 7 2HH2 ARG 7 13.478 -7.719 1.366
70 H GLN 8 H GLN 8 10.784 -1.929 -5.163
71 HA GLN 8 HA GLN 8 11.669 -3.497 -7.448
72 HB2 GLN 8 2HB GLN 8 9.477 -3.948 -6.366
73 HB3 GLN 8 3HB GLN 8 8.938 -2.347 -6.855
74 HG2 GLN 8 2HG GLN 8 9.262 -2.986 -9.210
75 HG3 GLN 8 3HG GLN 8 9.717 -4.606 -8.684
76 HE21 GLN 8 1HE2 GLN 8 7.571 -3.978 -10.416
77 HE22 GLN 8 2HE2 GLN 8 6.106 -4.458 -9.638
78 H TYR 9 H TYR 9 10.313 -0.285 -6.785
79 HA TYR 9 HA TYR 9 10.320 0.626 -9.448
80 HB2 TYR 9 2HB TYR 9 9.042 1.736 -7.673
81 HB3 TYR 9 3HB TYR 9 10.539 2.217 -6.883
82 HD1 TYR 9 HD2 TYR 9 12.166 3.667 -8.327
83 HD2 TYR 9 HD1 TYR 9 8.020 3.194 -9.159
84 HE1 TYR 9 HE2 TYR 9 12.200 5.741 -9.649
85 HE2 TYR 9 HE1 TYR 9 8.043 5.266 -10.484
86 HH TYR 9 HH TYR 9 9.354 6.827 -11.437
87 H LYS 10 H LYS 10 12.729 0.857 -6.865
88 HA LYS 10 HA LYS 10 14.570 2.429 -8.361
89 HB2 LYS 10 2HB LYS 10 15.292 0.617 -6.065
90 HB3 LYS 10 3HB LYS 10 16.080 2.109 -6.562
91 HG2 LYS 10 2HG LYS 10 13.315 1.905 -5.386
92 HG3 LYS 10 3HG LYS 10 14.771 2.391 -4.516
93 HD2 LYS 10 2HD LYS 10 14.474 3.938 -6.924
94 HD3 LYS 10 3HD LYS 10 13.008 4.033 -5.946
95 HE2 LYS 10 2HE LYS 10 14.211 4.843 -4.069
96 HE3 LYS 10 3HE LYS 10 15.763 4.463 -4.814
97 HZ1 LYS 10 3HZ LYS 10 14.995 6.875 -4.836
98 HZ2 LYS 10 1HZ LYS 10 13.907 6.404 -6.043
99 HZ3 LYS 10 2HZ LYS 10 15.571 6.232 -6.291
100 H GLU 11 H GLU 11 13.949 -0.985 -8.069
101 HA GLU 11 HA GLU 11 16.432 -1.776 -9.306
102 HB2 GLU 11 2HB GLU 11 14.000 -3.183 -8.301
103 HB3 GLU 11 3HB GLU 11 15.025 -4.017 -9.460
104 HG2 GLU 11 2HG GLU 11 15.880 -2.919 -6.792
105 HG3 GLU 11 3HG GLU 11 15.629 -4.616 -7.198
106 H MET 12 H MET 12 13.163 -1.091 -10.307
107 HA MET 12 HA MET 12 13.483 -2.243 -12.930
108 HB2 MET 12 2HB MET 12 11.257 -1.864 -13.211
109 HB3 MET 12 3HB MET 12 11.302 -1.771 -11.456
110 HG2 MET 12 2HG MET 12 11.614 0.723 -11.732
111 HG3 MET 12 3HG MET 12 11.207 0.486 -13.430
112 HE1 MET 12 3HE MET 12 9.913 2.457 -12.203
113 HE2 MET 12 1HE MET 12 8.482 2.073 -13.159
114 HE3 MET 12 2HE MET 12 8.352 2.247 -11.409
115 H MET 13 H MET 13 14.032 0.818 -11.420
116 HA MET 13 HA MET 13 14.132 2.273 -13.925
117 HB2 MET 13 2HB MET 13 14.503 4.216 -12.626
118 HB3 MET 13 3HB MET 13 13.343 3.254 -11.719
119 HG2 MET 13 2HG MET 13 15.118 2.461 -10.260
120 HG3 MET 13 3HG MET 13 16.302 3.382 -11.185
121 HE1 MET 13 3HE MET 13 16.514 5.736 -8.262
122 HE2 MET 13 1HE MET 13 16.980 4.102 -8.738
123 HE3 MET 13 2HE MET 13 17.254 5.453 -9.839
124 H GLU 14 H GLU 14 16.346 0.834 -11.617
125 HA GLU 14 HA GLU 14 18.693 1.985 -12.819
126 HB2 GLU 14 2HB GLU 14 18.136 0.074 -10.604
127 HB3 GLU 14 3HB GLU 14 19.732 0.028 -11.341
128 HG2 GLU 14 2HG GLU 14 19.918 2.478 -10.901
129 HG3 GLU 14 3HG GLU 14 18.413 2.367 -9.989
130 H GLU 15 H GLU 15 16.759 -0.838 -13.286
131 HA GLU 15 HA GLU 15 18.786 -2.324 -14.697
132 HB2 GLU 15 2HB GLU 15 17.153 -4.008 -14.985
133 HB3 GLU 15 3HB GLU 15 16.859 -3.336 -13.388
134 HG2 GLU 15 2HG GLU 15 14.730 -3.295 -14.081
135 HG3 GLU 15 3HG GLU 15 15.220 -1.790 -14.856
136 H ALA 16 H ALA 16 16.188 -0.130 -15.487
137 HA ALA 16 HA ALA 16 16.507 -0.635 -18.348
138 HB1 ALA 16 1HB ALA 16 14.238 -0.410 -17.290
139 HB2 ALA 16 2HB ALA 16 14.605 1.297 -17.039
140 HB3 ALA 16 3HB ALA 16 14.532 0.642 -18.675
141 H ASN 17 H ASN 17 17.803 1.351 -15.981
142 HA ASN 17 HA ASN 17 18.190 3.677 -17.662
143 HB2 ASN 17 2HB ASN 17 18.688 2.972 -14.832
144 HB3 ASN 17 3HB ASN 17 19.823 4.115 -15.545
145 HD21 ASN 17 1HD2 ASN 17 16.512 3.867 -16.583
146 HD22 ASN 17 2HD2 ASN 17 15.988 5.382 -15.937
147 H GLY 18 H GLY 18 19.684 0.691 -17.256
148 HA2 GLY 18 2HA GLY 18 21.450 0.252 -18.940
149 HA3 GLY 18 3HA GLY 18 22.199 1.746 -18.397
150 H GLN 19 H GLN 19 20.775 -0.860 -16.463
151 HA GLN 19 HA GLN 19 22.644 -0.900 -14.465
152 HB2 GLN 19 2HB GLN 19 20.628 -2.168 -14.236
153 HB3 GLN 19 3HB GLN 19 21.034 -3.176 -15.619
154 HG2 GLN 19 2HG GLN 19 23.065 -3.259 -13.547
155 HG3 GLN 19 3HG GLN 19 21.480 -3.776 -12.973
156 HE21 GLN 19 1HE2 GLN 19 20.367 -5.114 -14.924
157 HE22 GLN 19 2HE2 GLN 19 21.328 -6.455 -15.434
158 H ILE 20 H ILE 20 22.959 -2.119 -17.686
159 HA ILE 20 HA ILE 20 25.613 -3.201 -16.996
160 HB ILE 20 HB ILE 20 24.287 -4.092 -19.500
161 HG12 ILE 20 2HG1 ILE 20 23.349 -6.022 -17.945
162 HG13 ILE 20 3HG1 ILE 20 23.331 -4.736 -16.743
163 HG21 ILE 20 1HG2 ILE 20 26.409 -4.953 -17.685
164 HG22 ILE 20 2HG2 ILE 20 25.366 -6.263 -18.237
165 HG23 ILE 20 3HG2 ILE 20 26.202 -5.248 -19.412
166 HD11 ILE 20 3HD1 ILE 20 21.259 -4.423 -17.552
167 HD12 ILE 20 1HD1 ILE 20 22.115 -3.473 -18.766
168 HD13 ILE 20 2HD1 ILE 20 21.642 -5.135 -19.119
169 H ALA 21 H ALA 21 23.914 -0.837 -18.682
170 HA ALA 21 HA ALA 21 26.131 -0.397 -20.565
171 HB1 ALA 21 1HB ALA 21 24.010 1.375 -21.129
172 HB2 ALA 21 2HB ALA 21 24.548 -0.017 -22.070
173 HB3 ALA 21 3HB ALA 21 23.297 -0.213 -20.843
174 HA PRO 22 HA PRO 22 27.452 3.300 -18.605
175 HB2 PRO 22 2HB PRO 22 27.839 5.007 -20.681
176 HB3 PRO 22 3HB PRO 22 28.897 3.627 -20.361
177 HG2 PRO 22 2HG PRO 22 26.655 3.880 -22.329
178 HG3 PRO 22 3HG PRO 22 28.257 3.151 -22.546
179 HD2 PRO 22 2HD PRO 22 26.033 1.674 -22.090
180 HD3 PRO 22 3HD PRO 22 27.640 1.184 -21.514
181 H GLU 23 H GLU 23 24.477 3.178 -20.154
182 HA GLU 23 HA GLU 23 23.650 5.867 -20.106
183 HB2 GLU 23 2HB GLU 23 22.239 3.231 -20.126
184 HB3 GLU 23 3HB GLU 23 21.311 4.690 -19.813
185 HG2 GLU 23 2HG GLU 23 23.098 4.846 -22.131
186 HG3 GLU 23 3HG GLU 23 21.800 3.662 -22.269
187 H ASN 24 H ASN 24 23.687 3.363 -17.642
188 HA ASN 24 HA ASN 24 22.042 4.497 -15.724
189 HB2 ASN 24 2HB ASN 24 23.750 2.312 -15.847
190 HB3 ASN 24 3HB ASN 24 24.430 3.298 -14.556
191 HD21 ASN 24 1HD2 ASN 24 21.407 1.883 -15.706
192 HD22 ASN 24 2HD2 ASN 24 20.724 1.629 -14.140
193 H GLY 25 H GLY 25 22.136 6.609 -15.220
194 HA2 GLY 25 2HA GLY 25 23.228 8.078 -13.562
195 HA3 GLY 25 3HA GLY 25 24.752 7.662 -14.332
196 H THR 26 H THR 26 22.778 7.862 -16.859
197 HA THR 26 HA THR 26 23.604 10.590 -17.449
198 HB THR 26 HB THR 26 22.281 8.532 -19.228
199 HG1 THR 26 HG1 THR 26 24.524 8.640 -20.150
200 HG21 THR 26 3HG2 THR 26 23.404 10.202 -20.957
201 HG22 THR 26 1HG2 THR 26 23.129 11.352 -19.650
202 HG23 THR 26 2HG2 THR 26 21.772 10.464 -20.343
203 H GLN 27 H GLN 27 20.609 8.669 -17.444
204 HA GLN 27 HA GLN 27 19.087 11.188 -17.410
205 HB2 GLN 27 2HB GLN 27 18.416 8.447 -18.446
206 HB3 GLN 27 3HB GLN 27 17.154 9.617 -18.083
207 HG2 GLN 27 2HG GLN 27 19.234 10.788 -19.704
208 HG3 GLN 27 3HG GLN 27 18.559 9.345 -20.460
209 HE21 GLN 27 1HE2 GLN 27 18.260 12.592 -20.236
210 HE22 GLN 27 2HE2 GLN 27 16.599 12.770 -20.675
211 H THR 28 H THR 28 20.133 8.714 -15.462
212 HA THR 28 HA THR 28 18.041 7.923 -13.884
213 HB THR 28 HB THR 28 20.837 7.865 -13.660
214 HG1 THR 28 HG1 THR 28 20.076 6.013 -12.991
215 HG21 THR 28 3HG2 THR 28 20.635 9.848 -12.174
216 HG22 THR 28 1HG2 THR 28 21.286 8.428 -11.357
217 HG23 THR 28 2HG2 THR 28 19.605 8.897 -11.105
218 HA PRO 29 HA PRO 29 16.424 11.408 -11.759
219 HB2 PRO 29 2HB PRO 29 15.772 10.318 -9.360
220 HB3 PRO 29 3HB PRO 29 14.871 9.984 -10.843
221 HG2 PRO 29 2HG PRO 29 16.980 8.340 -9.497
222 HG3 PRO 29 3HG PRO 29 15.449 7.818 -10.223
223 HD2 PRO 29 2HD PRO 29 17.825 7.566 -11.496
224 HD3 PRO 29 3HD PRO 29 16.304 7.860 -12.363
225 H SER 30 H SER 30 18.851 12.116 -11.797
226 HA SER 30 HA SER 30 20.444 11.906 -9.501
227 HB2 SER 30 2HB SER 30 20.331 13.923 -11.736
228 HB3 SER 30 3HB SER 30 21.479 14.085 -10.407
229 HG SER 30 HG SER 30 21.948 11.742 -11.021
230 HA PRO 31 HA PRO 31 18.643 14.609 -6.551
231 HB2 PRO 31 2HB PRO 31 20.849 15.629 -5.340
232 HB3 PRO 31 3HB PRO 31 20.311 13.961 -5.110
233 HG2 PRO 31 2HG PRO 31 22.456 15.029 -6.905
234 HG3 PRO 31 3HG PRO 31 22.476 13.588 -5.873
235 HD2 PRO 31 2HD PRO 31 22.037 13.463 -8.542
236 HD3 PRO 31 3HD PRO 31 21.295 12.325 -7.398
237 HA PRO 32 HA PRO 32 18.474 18.780 -7.932
238 HB2 PRO 32 2HB PRO 32 18.211 20.171 -5.616
239 HB3 PRO 32 3HB PRO 32 16.917 19.172 -6.288
240 HG2 PRO 32 2HG PRO 32 18.866 18.532 -4.108
241 HG3 PRO 32 3HG PRO 32 17.125 18.203 -4.184
242 HD2 PRO 32 2HD PRO 32 18.989 16.309 -4.704
243 HD3 PRO 32 3HD PRO 32 17.407 16.339 -5.509
244 H SER 33 H SER 33 20.972 17.848 -5.733
245 HA SER 33 HA SER 33 22.397 20.227 -5.456
246 HB2 SER 33 2HB SER 33 23.355 17.361 -5.554
247 HB3 SER 33 3HB SER 33 24.399 18.720 -5.137
248 HG SER 33 HG SER 33 23.638 18.532 -3.199
249 H GLU 34 H GLU 34 22.111 18.061 -8.155
250 HA GLU 34 HA GLU 34 24.378 19.172 -9.565
251 HB2 GLU 34 2HB GLU 34 23.867 17.626 -11.304
252 HB3 GLU 34 3HB GLU 34 23.630 16.778 -9.782
253 HG2 GLU 34 2HG GLU 34 21.686 16.144 -10.663
254 HG3 GLU 34 3HG GLU 34 21.140 17.768 -10.248
255 H LYS 35 H LYS 35 20.962 19.703 -9.349
256 HA LYS 35 HA LYS 35 19.571 21.240 -10.284
257 HB2 LYS 35 2HB LYS 35 21.821 22.601 -9.701
258 HB3 LYS 35 3HB LYS 35 21.785 22.837 -11.444
259 HG2 LYS 35 2HG LYS 35 19.438 23.672 -11.191
260 HG3 LYS 35 3HG LYS 35 19.683 23.626 -9.444
261 HD2 LYS 35 2HD LYS 35 21.001 25.457 -9.453
262 HD3 LYS 35 3HD LYS 35 21.781 25.013 -10.973
263 HE2 LYS 35 2HE LYS 35 18.955 26.033 -10.831
264 HE3 LYS 35 3HE LYS 35 20.345 27.106 -10.996
265 HZ1 LYS 35 3HZ LYS 35 19.827 26.778 -13.172
266 HZ2 LYS 35 1HZ LYS 35 19.212 25.221 -12.927
267 HZ3 LYS 35 2HZ LYS 35 20.884 25.474 -12.961
Start of MODEL 12
1 H1 LYS 1 H LYS 1 1.944 0.769 0.625
2 HA LYS 1 HA LYS 1 2.724 -0.608 -1.308
3 HB2 LYS 1 2HB LYS 1 0.255 0.580 -2.317
4 HB3 LYS 1 3HB LYS 1 1.597 0.749 -3.441
5 HG2 LYS 1 2HG LYS 1 1.811 -1.866 -2.663
6 HG3 LYS 1 3HG LYS 1 0.064 -1.613 -2.689
7 HD2 LYS 1 2HD LYS 1 0.609 -0.462 -4.998
8 HD3 LYS 1 3HD LYS 1 2.042 -1.490 -4.915
9 HE2 LYS 1 2HE LYS 1 0.459 -2.767 -6.079
10 HE3 LYS 1 3HE LYS 1 0.429 -3.407 -4.437
11 HZ1 LYS 1 3HZ LYS 1 -1.798 -3.170 -5.008
12 HZ2 LYS 1 1HZ LYS 1 -1.560 -1.679 -5.773
13 HZ3 LYS 1 2HZ LYS 1 -1.488 -1.786 -4.087
14 H VAL 2 H VAL 2 4.531 0.575 -0.514
15 HA VAL 2 HA VAL 2 5.346 2.697 -2.304
16 HB VAL 2 HB VAL 2 5.072 3.176 0.661
17 HG11 VAL 2 1HG1 VAL 2 7.254 3.949 0.054
18 HG12 VAL 2 2HG1 VAL 2 6.628 4.736 -1.396
19 HG13 VAL 2 3HG1 VAL 2 6.199 5.354 0.200
20 HG21 VAL 2 3HG2 VAL 2 3.070 3.670 -0.595
21 HG22 VAL 2 1HG2 VAL 2 3.834 5.181 -0.098
22 HG23 VAL 2 2HG2 VAL 2 3.995 4.617 -1.761
23 H GLY 3 H GLY 3 6.088 0.695 0.514
24 HA2 GLY 3 2HA GLY 3 8.917 1.043 0.340
25 HA3 GLY 3 3HA GLY 3 8.077 -0.183 1.277
26 H PHE 4 H PHE 4 6.732 -0.746 -1.520
27 HA PHE 4 HA PHE 4 8.582 -2.875 -2.179
28 HB2 PHE 4 2HB PHE 4 6.054 -2.288 -3.691
29 HB3 PHE 4 3HB PHE 4 6.841 -3.838 -3.412
30 HD1 PHE 4 HD1 PHE 4 4.888 -1.153 -1.787
31 HD2 PHE 4 HD2 PHE 4 6.276 -5.171 -1.563
32 HE1 PHE 4 HE1 PHE 4 3.394 -1.559 0.125
33 HE2 PHE 4 HE2 PHE 4 4.784 -5.583 0.349
34 HZ PHE 4 HZ PHE 4 3.340 -3.777 1.195
35 H PHE 5 H PHE 5 7.270 0.034 -3.694
36 HA PHE 5 HA PHE 5 8.528 -0.345 -6.207
37 HB2 PHE 5 2HB PHE 5 7.680 2.284 -4.981
38 HB3 PHE 5 3HB PHE 5 7.878 1.922 -6.692
39 HD1 PHE 5 HD1 PHE 5 5.825 1.198 -3.708
40 HD2 PHE 5 HD2 PHE 5 6.127 0.979 -7.948
41 HE1 PHE 5 HE1 PHE 5 3.451 0.565 -3.841
42 HE2 PHE 5 HE2 PHE 5 3.754 0.347 -8.088
43 HZ PHE 5 HZ PHE 5 2.412 0.139 -6.033
44 H LYS 6 H LYS 6 9.515 1.150 -3.201
45 HA LYS 6 HA LYS 6 11.675 2.671 -4.035
46 HB2 LYS 6 2HB LYS 6 11.197 1.110 -1.502
47 HB3 LYS 6 3HB LYS 6 12.632 2.101 -1.729
48 HG2 LYS 6 2HG LYS 6 9.783 3.075 -1.816
49 HG3 LYS 6 3HG LYS 6 10.918 3.292 -0.481
50 HD2 LYS 6 2HD LYS 6 12.427 4.437 -2.216
51 HD3 LYS 6 3HD LYS 6 10.980 4.516 -3.223
52 HE2 LYS 6 2HE LYS 6 9.882 5.939 -1.746
53 HE3 LYS 6 3HE LYS 6 10.930 5.505 -0.397
54 HZ1 LYS 6 3HZ LYS 6 12.597 6.877 -1.130
55 HZ2 LYS 6 1HZ LYS 6 11.235 7.765 -1.600
56 HZ3 LYS 6 2HZ LYS 6 12.083 6.850 -2.742
57 H ARG 7 H ARG 7 11.423 -0.798 -3.577
58 HA ARG 7 HA ARG 7 14.236 -1.090 -4.387
59 HB2 ARG 7 2HB ARG 7 12.432 -2.680 -2.643
60 HB3 ARG 7 3HB ARG 7 13.595 -3.575 -3.613
61 HG2 ARG 7 2HG ARG 7 14.506 -3.139 -1.427
62 HG3 ARG 7 3HG ARG 7 15.409 -2.230 -2.641
63 HD2 ARG 7 2HD ARG 7 14.274 -0.204 -2.060
64 HD3 ARG 7 3HD ARG 7 13.164 -1.072 -1.000
65 HE ARG 7 HE ARG 7 15.887 -1.414 -0.219
66 HH11 ARG 7 1HH1 ARG 7 13.175 0.765 -0.071
67 HH12 ARG 7 2HH1 ARG 7 13.702 1.529 1.391
68 HH21 ARG 7 1HH2 ARG 7 16.591 -0.415 1.707
69 HH22 ARG 7 2HH2 ARG 7 15.646 0.858 2.402
70 H GLN 8 H GLN 8 11.000 -1.554 -5.378
71 HA GLN 8 HA GLN 8 11.663 -3.549 -7.386
72 HB2 GLN 8 2HB GLN 8 9.503 -3.617 -6.134
73 HB3 GLN 8 3HB GLN 8 9.044 -2.115 -6.926
74 HG2 GLN 8 2HG GLN 8 9.120 -3.198 -9.090
75 HG3 GLN 8 3HG GLN 8 9.663 -4.698 -8.340
76 HE21 GLN 8 1HE2 GLN 8 7.779 -5.586 -9.436
77 HE22 GLN 8 2HE2 GLN 8 6.237 -5.487 -8.664
78 H TYR 9 H TYR 9 10.553 -0.180 -7.255
79 HA TYR 9 HA TYR 9 10.503 0.231 -10.047
80 HB2 TYR 9 2HB TYR 9 9.329 1.707 -8.483
81 HB3 TYR 9 3HB TYR 9 10.867 2.240 -7.813
82 HD1 TYR 9 HD2 TYR 9 12.530 3.321 -9.515
83 HD2 TYR 9 HD1 TYR 9 8.347 2.934 -10.189
84 HE1 TYR 9 HE2 TYR 9 12.638 5.124 -11.185
85 HE2 TYR 9 HE1 TYR 9 8.443 4.735 -11.861
86 HH TYR 9 HH TYR 9 9.739 6.456 -12.642
87 H LYS 10 H LYS 10 13.003 0.732 -7.602
88 HA LYS 10 HA LYS 10 14.874 1.987 -9.322
89 HB2 LYS 10 2HB LYS 10 16.507 1.536 -7.560
90 HB3 LYS 10 3HB LYS 10 15.010 2.158 -6.878
91 HG2 LYS 10 2HG LYS 10 15.493 0.452 -5.429
92 HG3 LYS 10 3HG LYS 10 14.429 -0.366 -6.576
93 HD2 LYS 10 2HD LYS 10 16.044 -1.784 -7.165
94 HD3 LYS 10 3HD LYS 10 17.174 -0.461 -7.463
95 HE2 LYS 10 2HE LYS 10 17.877 -0.434 -5.201
96 HE3 LYS 10 3HE LYS 10 16.549 -1.480 -4.702
97 HZ1 LYS 10 3HZ LYS 10 17.556 -3.243 -6.101
98 HZ2 LYS 10 1HZ LYS 10 18.530 -2.772 -4.799
99 HZ3 LYS 10 2HZ LYS 10 18.889 -2.235 -6.362
100 H GLU 11 H GLU 11 14.094 -1.345 -8.632
101 HA GLU 11 HA GLU 11 16.454 -2.445 -9.818
102 HB2 GLU 11 2HB GLU 11 13.919 -3.496 -8.700
103 HB3 GLU 11 3HB GLU 11 14.724 -4.508 -9.890
104 HG2 GLU 11 2HG GLU 11 16.828 -4.020 -8.389
105 HG3 GLU 11 3HG GLU 11 15.597 -3.722 -7.163
106 H MET 12 H MET 12 13.156 -1.812 -10.907
107 HA MET 12 HA MET 12 13.553 -3.022 -13.478
108 HB2 MET 12 2HB MET 12 11.342 -2.341 -13.978
109 HB3 MET 12 3HB MET 12 11.332 -2.773 -12.274
110 HG2 MET 12 2HG MET 12 11.409 -0.451 -11.639
111 HG3 MET 12 3HG MET 12 11.563 0.035 -13.326
112 HE1 MET 12 3HE MET 12 8.701 -2.822 -12.127
113 HE2 MET 12 1HE MET 12 9.641 -2.003 -10.879
114 HE3 MET 12 2HE MET 12 7.945 -1.584 -11.122
115 H MET 13 H MET 13 14.207 0.042 -12.083
116 HA MET 13 HA MET 13 14.255 1.465 -14.604
117 HB2 MET 13 2HB MET 13 13.581 2.668 -12.602
118 HB3 MET 13 3HB MET 13 15.111 2.285 -11.823
119 HG2 MET 13 2HG MET 13 15.661 3.562 -14.300
120 HG3 MET 13 3HG MET 13 14.458 4.512 -13.431
121 HE1 MET 13 3HE MET 13 18.848 3.980 -12.600
122 HE2 MET 13 1HE MET 13 17.942 2.531 -12.163
123 HE3 MET 13 2HE MET 13 17.840 3.172 -13.802
124 H GLU 14 H GLU 14 16.546 0.030 -12.348
125 HA GLU 14 HA GLU 14 18.869 1.042 -13.676
126 HB2 GLU 14 2HB GLU 14 18.281 -0.555 -11.330
127 HB3 GLU 14 3HB GLU 14 19.626 -1.232 -12.237
128 HG2 GLU 14 2HG GLU 14 20.317 1.373 -12.219
129 HG3 GLU 14 3HG GLU 14 19.447 1.259 -10.690
130 H GLU 15 H GLU 15 16.878 -1.808 -13.958
131 HA GLU 15 HA GLU 15 18.741 -3.306 -15.533
132 HB2 GLU 15 2HB GLU 15 17.109 -4.959 -15.651
133 HB3 GLU 15 3HB GLU 15 16.751 -4.172 -14.120
134 HG2 GLU 15 2HG GLU 15 15.050 -2.791 -15.357
135 HG3 GLU 15 3HG GLU 15 15.305 -3.862 -16.733
136 H ALA 16 H ALA 16 16.197 -1.007 -16.177
137 HA ALA 16 HA ALA 16 16.349 -1.501 -19.054
138 HB1 ALA 16 1HB ALA 16 14.134 -1.243 -18.048
139 HB2 ALA 16 2HB ALA 16 14.568 0.380 -17.509
140 HB3 ALA 16 3HB ALA 16 14.458 0.023 -19.233
141 H ASN 17 H ASN 17 17.847 0.409 -16.745
142 HA ASN 17 HA ASN 17 18.263 2.711 -18.466
143 HB2 ASN 17 2HB ASN 17 18.800 2.038 -15.630
144 HB3 ASN 17 3HB ASN 17 19.936 3.148 -16.391
145 HD21 ASN 17 1HD2 ASN 17 16.587 2.930 -17.320
146 HD22 ASN 17 2HD2 ASN 17 16.109 4.469 -16.697
147 H GLY 18 H GLY 18 19.586 -0.322 -18.181
148 HA2 GLY 18 2HA GLY 18 21.335 -0.775 -19.884
149 HA3 GLY 18 3HA GLY 18 22.181 0.622 -19.237
150 H GLN 19 H GLN 19 20.582 -2.115 -17.622
151 HA GLN 19 HA GLN 19 22.307 -2.409 -15.527
152 HB2 GLN 19 2HB GLN 19 20.192 -3.881 -16.603
153 HB3 GLN 19 3HB GLN 19 21.532 -5.017 -16.531
154 HG2 GLN 19 2HG GLN 19 20.829 -3.332 -14.164
155 HG3 GLN 19 3HG GLN 19 19.949 -4.818 -14.514
156 HE21 GLN 19 1HE2 GLN 19 22.617 -3.485 -13.007
157 HE22 GLN 19 2HE2 GLN 19 23.495 -4.939 -12.691
158 H ILE 20 H ILE 20 22.865 -3.224 -18.839
159 HA ILE 20 HA ILE 20 25.457 -4.415 -18.096
160 HB ILE 20 HB ILE 20 24.331 -4.923 -20.798
161 HG12 ILE 20 2HG1 ILE 20 23.282 -7.047 -19.607
162 HG13 ILE 20 3HG1 ILE 20 23.168 -5.941 -18.243
163 HG21 ILE 20 1HG2 ILE 20 25.314 -7.264 -19.778
164 HG22 ILE 20 2HG2 ILE 20 26.230 -6.103 -20.738
165 HG23 ILE 20 3HG2 ILE 20 26.314 -6.052 -18.977
166 HD11 ILE 20 3HD1 ILE 20 21.165 -5.493 -19.155
167 HD12 ILE 20 1HD1 ILE 20 22.112 -4.401 -20.165
168 HD13 ILE 20 2HD1 ILE 20 21.664 -5.997 -20.769
169 H ALA 21 H ALA 21 23.899 -1.825 -19.588
170 HA ALA 21 HA ALA 21 26.282 -1.145 -21.175
171 HB1 ALA 21 1HB ALA 21 24.110 0.657 -21.635
172 HB2 ALA 21 2HB ALA 21 24.895 -0.451 -22.761
173 HB3 ALA 21 3HB ALA 21 23.537 -1.004 -21.780
174 HA PRO 22 HA PRO 22 27.373 2.217 -18.576
175 HB2 PRO 22 2HB PRO 22 28.083 4.139 -20.356
176 HB3 PRO 22 3HB PRO 22 29.061 2.697 -20.058
177 HG2 PRO 22 2HG PRO 22 27.132 3.252 -22.279
178 HG3 PRO 22 3HG PRO 22 28.736 2.499 -22.352
179 HD2 PRO 22 2HD PRO 22 26.447 1.055 -22.396
180 HD3 PRO 22 3HD PRO 22 27.945 0.448 -21.661
181 H GLU 23 H GLU 23 24.668 2.400 -20.575
182 HA GLU 23 HA GLU 23 23.859 5.056 -20.394
183 HB2 GLU 23 2HB GLU 23 22.427 2.453 -20.693
184 HB3 GLU 23 3HB GLU 23 21.480 3.894 -20.352
185 HG2 GLU 23 2HG GLU 23 22.928 4.860 -22.350
186 HG3 GLU 23 3HG GLU 23 23.006 3.152 -22.779
187 H ASN 24 H ASN 24 23.732 2.480 -18.031
188 HA ASN 24 HA ASN 24 21.891 3.427 -16.219
189 HB2 ASN 24 2HB ASN 24 24.266 1.695 -16.092
190 HB3 ASN 24 3HB ASN 24 23.841 2.454 -14.561
191 HD21 ASN 24 1HD2 ASN 24 21.098 2.548 -14.779
192 HD22 ASN 24 2HD2 ASN 24 20.471 0.938 -14.778
193 H GLY 25 H GLY 25 21.744 5.533 -15.695
194 HA2 GLY 25 2HA GLY 25 22.543 7.070 -13.939
195 HA3 GLY 25 3HA GLY 25 24.163 6.802 -14.565
196 H THR 26 H THR 26 22.062 6.922 -17.131
197 HA THR 26 HA THR 26 22.938 9.616 -17.797
198 HB THR 26 HB THR 26 21.412 7.621 -19.482
199 HG1 THR 26 HG1 THR 26 24.180 8.229 -19.248
200 HG21 THR 26 3HG2 THR 26 22.729 9.301 -21.187
201 HG22 THR 26 1HG2 THR 26 22.245 10.402 -19.898
202 HG23 THR 26 2HG2 THR 26 21.029 9.444 -20.743
203 H GLN 27 H GLN 27 19.909 7.803 -17.446
204 HA GLN 27 HA GLN 27 18.455 10.363 -17.459
205 HB2 GLN 27 2HB GLN 27 17.955 7.901 -18.797
206 HB3 GLN 27 3HB GLN 27 16.670 8.144 -17.622
207 HG2 GLN 27 2HG GLN 27 15.682 9.510 -19.046
208 HG3 GLN 27 3HG GLN 27 17.045 10.617 -18.886
209 HE21 GLN 27 1HE2 GLN 27 18.588 10.702 -20.481
210 HE22 GLN 27 2HE2 GLN 27 18.395 9.937 -22.018
211 H THR 28 H THR 28 19.673 8.096 -15.409
212 HA THR 28 HA THR 28 17.740 7.408 -13.597
213 HB THR 28 HB THR 28 20.546 7.428 -13.605
214 HG1 THR 28 HG1 THR 28 20.188 6.006 -11.796
215 HG21 THR 28 3HG2 THR 28 21.164 8.207 -11.405
216 HG22 THR 28 1HG2 THR 28 19.497 8.663 -11.057
217 HG23 THR 28 2HG2 THR 28 20.411 9.534 -12.289
218 HA PRO 29 HA PRO 29 16.204 11.040 -11.666
219 HB2 PRO 29 2HB PRO 29 15.775 10.157 -9.134
220 HB3 PRO 29 3HB PRO 29 14.767 9.673 -10.504
221 HG2 PRO 29 2HG PRO 29 17.019 8.198 -9.195
222 HG3 PRO 29 3HG PRO 29 15.450 7.584 -9.745
223 HD2 PRO 29 2HD PRO 29 17.723 7.264 -11.180
224 HD3 PRO 29 3HD PRO 29 16.131 7.449 -11.943
225 H SER 30 H SER 30 18.586 11.808 -11.962
226 HA SER 30 HA SER 30 20.396 11.823 -9.836
227 HB2 SER 30 2HB SER 30 20.117 13.154 -12.384
228 HB3 SER 30 3HB SER 30 20.706 14.284 -11.165
229 HG SER 30 HG SER 30 22.550 13.284 -11.171
230 HA PRO 31 HA PRO 31 18.773 14.600 -6.851
231 HB2 PRO 31 2HB PRO 31 21.037 15.783 -5.932
232 HB3 PRO 31 3HB PRO 31 20.612 14.108 -5.564
233 HG2 PRO 31 2HG PRO 31 22.503 15.173 -7.626
234 HG3 PRO 31 3HG PRO 31 22.703 13.792 -6.531
235 HD2 PRO 31 2HD PRO 31 21.998 13.501 -9.129
236 HD3 PRO 31 3HD PRO 31 21.437 12.396 -7.858
237 HA PRO 32 HA PRO 32 18.251 18.677 -8.413
238 HB2 PRO 32 2HB PRO 32 18.157 20.179 -6.154
239 HB3 PRO 32 3HB PRO 32 16.854 19.087 -6.636
240 HG2 PRO 32 2HG PRO 32 19.047 18.657 -4.644
241 HG3 PRO 32 3HG PRO 32 17.326 18.246 -4.520
242 HD2 PRO 32 2HD PRO 32 19.221 16.412 -5.138
243 HD3 PRO 32 3HD PRO 32 17.565 16.326 -5.772
244 H SER 33 H SER 33 19.500 20.245 -9.250
245 HA SER 33 HA SER 33 22.282 20.313 -8.700
246 HB2 SER 33 2HB SER 33 20.913 20.958 -10.868
247 HB3 SER 33 3HB SER 33 20.939 22.564 -10.140
248 HG SER 33 HG SER 33 23.352 21.906 -9.905
249 H GLU 34 H GLU 34 19.553 22.177 -7.591
250 HA GLU 34 HA GLU 34 21.081 24.337 -6.509
251 HB2 GLU 34 2HB GLU 34 18.347 23.756 -6.908
252 HB3 GLU 34 3HB GLU 34 18.554 24.012 -5.181
253 HG2 GLU 34 2HG GLU 34 19.776 26.149 -5.798
254 HG3 GLU 34 3HG GLU 34 19.144 25.910 -7.426
255 H LYS 35 H LYS 35 20.109 21.201 -5.397
256 HA LYS 35 HA LYS 35 21.712 21.544 -3.002
257 HB2 LYS 35 2HB LYS 35 18.825 21.615 -2.948
258 HB3 LYS 35 3HB LYS 35 19.421 20.227 -2.047
259 HG2 LYS 35 2HG LYS 35 20.896 21.759 -0.768
260 HG3 LYS 35 3HG LYS 35 20.139 23.117 -1.603
261 HD2 LYS 35 2HD LYS 35 18.266 22.992 -0.361
262 HD3 LYS 35 3HD LYS 35 18.255 21.227 -0.381
263 HE2 LYS 35 2HE LYS 35 19.558 21.063 1.498
264 HE3 LYS 35 3HE LYS 35 20.345 22.616 1.219
265 HZ1 LYS 35 3HZ LYS 35 18.833 22.668 3.122
266 HZ2 LYS 35 1HZ LYS 35 17.535 22.265 2.115
267 HZ3 LYS 35 2HZ LYS 35 18.340 23.739 1.909
Start of MODEL 13
1 H1 LYS 1 H LYS 1 1.256 -1.156 0.282
2 HA LYS 1 HA LYS 1 2.207 -2.051 -1.846
3 HB2 LYS 1 2HB LYS 1 -0.228 -0.807 -2.742
4 HB3 LYS 1 3HB LYS 1 1.140 -0.131 -3.617
5 HG2 LYS 1 2HG LYS 1 0.813 -1.882 -4.977
6 HG3 LYS 1 3HG LYS 1 1.727 -2.763 -3.750
7 HD2 LYS 1 2HD LYS 1 -0.153 -4.095 -4.071
8 HD3 LYS 1 3HD LYS 1 -0.571 -3.150 -2.639
9 HE2 LYS 1 2HE LYS 1 -1.475 -1.540 -4.640
10 HE3 LYS 1 3HE LYS 1 -1.751 -3.140 -5.327
11 HZ1 LYS 1 3HZ LYS 1 -3.360 -1.835 -3.535
12 HZ2 LYS 1 1HZ LYS 1 -2.575 -3.010 -2.603
13 HZ3 LYS 1 2HZ LYS 1 -3.460 -3.467 -3.971
14 H VAL 2 H VAL 2 3.913 -1.080 -0.630
15 HA VAL 2 HA VAL 2 4.859 1.375 -1.832
16 HB VAL 2 HB VAL 2 4.301 1.208 1.129
17 HG11 VAL 2 1HG1 VAL 2 6.512 2.099 0.899
18 HG12 VAL 2 2HG1 VAL 2 5.996 3.179 -0.397
19 HG13 VAL 2 3HG1 VAL 2 5.416 3.435 1.249
20 HG21 VAL 2 3HG2 VAL 2 2.407 1.954 -0.164
21 HG22 VAL 2 1HG2 VAL 2 3.095 3.330 0.699
22 HG23 VAL 2 2HG2 VAL 2 3.409 3.124 -1.024
23 H GLY 3 H GLY 3 5.358 -1.192 0.547
24 HA2 GLY 3 2HA GLY 3 8.195 -0.822 0.693
25 HA3 GLY 3 3HA GLY 3 7.289 -2.192 1.319
26 H PHE 4 H PHE 4 6.186 -2.201 -1.643
27 HA PHE 4 HA PHE 4 8.091 -4.198 -2.527
28 HB2 PHE 4 2HB PHE 4 5.696 -3.316 -4.111
29 HB3 PHE 4 3HB PHE 4 6.461 -4.900 -4.053
30 HD1 PHE 4 HD1 PHE 4 4.353 -2.535 -2.155
31 HD2 PHE 4 HD2 PHE 4 5.764 -6.535 -2.512
32 HE1 PHE 4 HE1 PHE 4 2.704 -3.263 -0.480
33 HE2 PHE 4 HE2 PHE 4 4.117 -7.269 -0.839
34 HZ PHE 4 HZ PHE 4 2.583 -5.633 0.179
35 H PHE 5 H PHE 5 6.863 -1.064 -3.619
36 HA PHE 5 HA PHE 5 8.367 -0.991 -6.024
37 HB2 PHE 5 2HB PHE 5 7.354 1.394 -4.473
38 HB3 PHE 5 3HB PHE 5 7.680 1.298 -6.200
39 HD1 PHE 5 HD2 PHE 5 5.417 0.170 -3.516
40 HD2 PHE 5 HD1 PHE 5 6.059 0.483 -7.712
41 HE1 PHE 5 HE2 PHE 5 3.072 -0.456 -3.918
42 HE2 PHE 5 HE1 PHE 5 3.715 -0.141 -8.121
43 HZ PHE 5 HZ PHE 5 2.218 -0.613 -6.222
44 H LYS 6 H LYS 6 9.030 -0.074 -2.721
45 HA LYS 6 HA LYS 6 11.203 1.617 -3.048
46 HB2 LYS 6 2HB LYS 6 10.076 0.010 -0.917
47 HB3 LYS 6 3HB LYS 6 11.833 0.028 -0.833
48 HG2 LYS 6 2HG LYS 6 11.911 2.183 -0.216
49 HG3 LYS 6 3HG LYS 6 10.589 2.647 -1.291
50 HD2 LYS 6 2HD LYS 6 8.952 1.911 0.261
51 HD3 LYS 6 3HD LYS 6 10.162 1.090 1.251
52 HE2 LYS 6 2HE LYS 6 11.155 3.244 1.830
53 HE3 LYS 6 3HE LYS 6 9.970 4.071 0.820
54 HZ1 LYS 6 3HZ LYS 6 8.533 4.051 2.486
55 HZ2 LYS 6 1HZ LYS 6 9.721 3.389 3.492
56 HZ3 LYS 6 2HZ LYS 6 8.658 2.373 2.657
57 H ARG 7 H ARG 7 11.030 -1.885 -3.245
58 HA ARG 7 HA ARG 7 13.910 -1.970 -3.844
59 HB2 ARG 7 2HB ARG 7 12.000 -4.036 -2.781
60 HB3 ARG 7 3HB ARG 7 13.535 -4.499 -3.502
61 HG2 ARG 7 2HG ARG 7 14.378 -4.287 -1.455
62 HG3 ARG 7 3HG ARG 7 14.270 -2.546 -1.722
63 HD2 ARG 7 2HD ARG 7 13.181 -2.843 0.310
64 HD3 ARG 7 3HD ARG 7 11.858 -2.782 -0.853
65 HE ARG 7 HE ARG 7 12.422 -5.433 -0.643
66 HH11 ARG 7 1HH1 ARG 7 11.658 -2.920 1.642
67 HH12 ARG 7 2HH1 ARG 7 10.890 -3.994 2.764
68 HH21 ARG 7 1HH2 ARG 7 11.415 -6.857 0.827
69 HH22 ARG 7 2HH2 ARG 7 10.753 -6.233 2.300
70 H GLN 8 H GLN 8 10.791 -2.296 -5.187
71 HA GLN 8 HA GLN 8 11.689 -3.890 -7.449
72 HB2 GLN 8 2HB GLN 8 9.436 -4.226 -6.418
73 HB3 GLN 8 3HB GLN 8 8.987 -2.621 -6.979
74 HG2 GLN 8 2HG GLN 8 9.245 -3.298 -9.273
75 HG3 GLN 8 3HG GLN 8 9.849 -4.877 -8.773
76 HE21 GLN 8 1HE2 GLN 8 7.775 -4.795 -10.476
77 HE22 GLN 8 2HE2 GLN 8 6.313 -5.268 -9.686
78 H TYR 9 H TYR 9 10.454 -0.625 -6.813
79 HA TYR 9 HA TYR 9 10.601 0.287 -9.478
80 HB2 TYR 9 2HB TYR 9 9.278 1.433 -7.757
81 HB3 TYR 9 3HB TYR 9 10.754 1.870 -6.903
82 HD1 TYR 9 HD1 TYR 9 12.486 3.265 -8.280
83 HD2 TYR 9 HD2 TYR 9 8.364 2.925 -9.278
84 HE1 TYR 9 HE1 TYR 9 12.641 5.335 -9.598
85 HE2 TYR 9 HE2 TYR 9 8.508 4.994 -10.600
86 HH TYR 9 HH TYR 9 9.811 6.883 -10.926
87 H LYS 10 H LYS 10 12.896 0.409 -6.790
88 HA LYS 10 HA LYS 10 14.850 1.977 -8.093
89 HB2 LYS 10 2HB LYS 10 16.108 1.679 -6.214
90 HB3 LYS 10 3HB LYS 10 14.552 1.177 -5.566
91 HG2 LYS 10 2HG LYS 10 15.198 -1.185 -6.156
92 HG3 LYS 10 3HG LYS 10 16.818 -0.568 -6.487
93 HD2 LYS 10 2HD LYS 10 16.736 0.421 -4.134
94 HD3 LYS 10 3HD LYS 10 15.329 -0.614 -3.876
95 HE2 LYS 10 2HE LYS 10 18.108 -1.505 -4.635
96 HE3 LYS 10 3HE LYS 10 17.330 -1.713 -3.067
97 HZ1 LYS 10 3HZ LYS 10 17.233 -3.741 -4.366
98 HZ2 LYS 10 1HZ LYS 10 16.434 -2.936 -5.621
99 HZ3 LYS 10 2HZ LYS 10 15.675 -3.129 -4.122
100 H GLU 11 H GLU 11 14.213 -1.477 -8.017
101 HA GLU 11 HA GLU 11 16.651 -2.168 -9.380
102 HB2 GLU 11 2HB GLU 11 16.102 -4.318 -8.934
103 HB3 GLU 11 3HB GLU 11 14.972 -3.579 -7.807
104 HG2 GLU 11 2HG GLU 11 13.610 -5.057 -8.893
105 HG3 GLU 11 3HG GLU 11 13.357 -3.600 -9.852
106 H MET 12 H MET 12 13.429 -1.277 -10.274
107 HA MET 12 HA MET 12 13.639 -2.308 -12.966
108 HB2 MET 12 2HB MET 12 11.577 -0.708 -11.478
109 HB3 MET 12 3HB MET 12 11.480 -0.898 -13.223
110 HG2 MET 12 2HG MET 12 11.907 -3.464 -12.152
111 HG3 MET 12 3HG MET 12 10.668 -2.694 -11.163
112 HE1 MET 12 3HE MET 12 10.460 -2.821 -15.716
113 HE2 MET 12 1HE MET 12 11.887 -2.616 -14.700
114 HE3 MET 12 2HE MET 12 11.234 -4.229 -14.987
115 H MET 13 H MET 13 14.396 0.602 -11.286
116 HA MET 13 HA MET 13 14.444 2.246 -13.668
117 HB2 MET 13 2HB MET 13 13.811 3.279 -11.564
118 HB3 MET 13 3HB MET 13 15.335 2.794 -10.832
119 HG2 MET 13 2HG MET 13 16.549 4.377 -11.986
120 HG3 MET 13 3HG MET 13 15.342 4.523 -13.261
121 HE1 MET 13 3HE MET 13 15.152 4.556 -9.394
122 HE2 MET 13 1HE MET 13 16.421 5.757 -9.636
123 HE3 MET 13 2HE MET 13 14.845 6.252 -9.017
124 H GLU 14 H GLU 14 16.725 0.557 -11.590
125 HA GLU 14 HA GLU 14 19.048 1.645 -12.879
126 HB2 GLU 14 2HB GLU 14 20.316 0.169 -11.480
127 HB3 GLU 14 3HB GLU 14 19.012 0.841 -10.511
128 HG2 GLU 14 2HG GLU 14 17.728 -1.232 -10.850
129 HG3 GLU 14 3HG GLU 14 19.090 -1.903 -11.745
130 H GLU 15 H GLU 15 16.942 -1.054 -13.385
131 HA GLU 15 HA GLU 15 18.779 -2.530 -15.038
132 HB2 GLU 15 2HB GLU 15 17.066 -4.115 -15.295
133 HB3 GLU 15 3HB GLU 15 16.844 -3.493 -13.666
134 HG2 GLU 15 2HG GLU 15 14.699 -3.367 -14.329
135 HG3 GLU 15 3HG GLU 15 15.232 -1.819 -14.982
136 H ALA 16 H ALA 16 16.308 -0.119 -15.498
137 HA ALA 16 HA ALA 16 16.395 -0.445 -18.402
138 HB1 ALA 16 1HB ALA 16 14.538 1.108 -18.470
139 HB2 ALA 16 2HB ALA 16 14.207 -0.178 -17.310
140 HB3 ALA 16 3HB ALA 16 14.701 1.416 -16.741
141 H ASN 17 H ASN 17 17.926 1.324 -15.978
142 HA ASN 17 HA ASN 17 18.414 3.686 -17.593
143 HB2 ASN 17 2HB ASN 17 18.961 2.862 -14.789
144 HB3 ASN 17 3HB ASN 17 20.066 4.031 -15.507
145 HD21 ASN 17 1HD2 ASN 17 16.730 3.830 -16.452
146 HD22 ASN 17 2HD2 ASN 17 16.225 5.313 -15.724
147 H GLY 18 H GLY 18 19.667 0.612 -17.433
148 HA2 GLY 18 2HA GLY 18 21.412 0.151 -19.117
149 HA3 GLY 18 3HA GLY 18 22.270 1.546 -18.478
150 H GLN 19 H GLN 19 20.665 -1.139 -16.793
151 HA GLN 19 HA GLN 19 22.459 -1.444 -14.754
152 HB2 GLN 19 2HB GLN 19 20.591 -2.748 -14.461
153 HB3 GLN 19 3HB GLN 19 20.585 -3.305 -16.128
154 HG2 GLN 19 2HG GLN 19 22.155 -4.956 -15.721
155 HG3 GLN 19 3HG GLN 19 22.740 -4.176 -14.252
156 HE21 GLN 19 1HE2 GLN 19 20.006 -5.893 -15.655
157 HE22 GLN 19 2HE2 GLN 19 19.418 -6.546 -14.168
158 H ILE 20 H ILE 20 22.863 -2.334 -18.067
159 HA ILE 20 HA ILE 20 25.427 -3.628 -17.399
160 HB ILE 20 HB ILE 20 24.201 -4.074 -20.069
161 HG12 ILE 20 2HG1 ILE 20 23.096 -6.155 -18.849
162 HG13 ILE 20 3HG1 ILE 20 23.070 -5.047 -17.482
163 HG21 ILE 20 1HG2 ILE 20 26.066 -5.317 -20.055
164 HG22 ILE 20 2HG2 ILE 20 26.170 -5.314 -18.295
165 HG23 ILE 20 3HG2 ILE 20 25.108 -6.460 -19.113
166 HD11 ILE 20 3HD1 ILE 20 21.487 -5.044 -19.957
167 HD12 ILE 20 1HD1 ILE 20 21.066 -4.502 -18.332
168 HD13 ILE 20 2HD1 ILE 20 22.029 -3.466 -19.386
169 H ALA 21 H ALA 21 23.938 -0.973 -18.862
170 HA ALA 21 HA ALA 21 26.324 -0.387 -20.483
171 HB1 ALA 21 1HB ALA 21 24.982 0.426 -22.057
172 HB2 ALA 21 2HB ALA 21 23.627 -0.235 -21.140
173 HB3 ALA 21 3HB ALA 21 24.125 1.439 -20.895
174 HA PRO 22 HA PRO 22 27.526 2.983 -17.945
175 HB2 PRO 22 2HB PRO 22 28.230 4.883 -19.752
176 HB3 PRO 22 3HB PRO 22 29.190 3.427 -19.466
177 HG2 PRO 22 2HG PRO 22 27.222 4.002 -21.648
178 HG3 PRO 22 3HG PRO 22 28.811 3.222 -21.752
179 HD2 PRO 22 2HD PRO 22 26.497 1.816 -21.736
180 HD3 PRO 22 3HD PRO 22 28.000 1.188 -21.031
181 H GLU 23 H GLU 23 24.764 3.176 -19.840
182 HA GLU 23 HA GLU 23 23.998 5.846 -19.696
183 HB2 GLU 23 2HB GLU 23 22.508 3.260 -19.846
184 HB3 GLU 23 3HB GLU 23 21.609 4.740 -19.542
185 HG2 GLU 23 2HG GLU 23 23.527 4.776 -21.791
186 HG3 GLU 23 3HG GLU 23 22.074 3.798 -21.987
187 H ASN 24 H ASN 24 23.880 3.316 -17.273
188 HA ASN 24 HA ASN 24 22.147 4.365 -15.414
189 HB2 ASN 24 2HB ASN 24 24.517 2.598 -15.300
190 HB3 ASN 24 3HB ASN 24 24.053 3.349 -13.777
191 HD21 ASN 24 1HD2 ASN 24 21.316 3.436 -14.059
192 HD22 ASN 24 2HD2 ASN 24 20.694 1.824 -14.080
193 H GLY 25 H GLY 25 22.091 6.484 -14.925
194 HA2 GLY 25 2HA GLY 25 23.010 8.025 -13.232
195 HA3 GLY 25 3HA GLY 25 24.593 7.691 -13.917
196 H THR 26 H THR 26 22.408 7.830 -16.406
197 HA THR 26 HA THR 26 23.334 10.487 -17.152
198 HB THR 26 HB THR 26 21.616 8.624 -18.795
199 HG1 THR 26 HG1 THR 26 24.365 8.618 -18.258
200 HG21 THR 26 3HG2 THR 26 21.632 10.867 -19.652
201 HG22 THR 26 1HG2 THR 26 22.677 9.883 -20.677
202 HG23 THR 26 2HG2 THR 26 23.384 10.972 -19.483
203 H GLN 27 H GLN 27 20.230 8.760 -16.876
204 HA GLN 27 HA GLN 27 18.887 11.375 -16.715
205 HB2 GLN 27 2HB GLN 27 18.320 9.093 -18.282
206 HB3 GLN 27 3HB GLN 27 17.046 9.200 -17.074
207 HG2 GLN 27 2HG GLN 27 16.662 11.547 -17.750
208 HG3 GLN 27 3HG GLN 27 17.858 11.338 -19.028
209 HE21 GLN 27 1HE2 GLN 27 17.072 10.850 -20.938
210 HE22 GLN 27 2HE2 GLN 27 15.569 10.058 -21.254
211 H THR 28 H THR 28 19.971 8.909 -14.826
212 HA THR 28 HA THR 28 17.980 8.175 -13.097
213 HB THR 28 HB THR 28 20.783 8.069 -13.066
214 HG1 THR 28 HG1 THR 28 20.279 6.598 -11.253
215 HG21 THR 28 3HG2 THR 28 20.719 10.073 -11.597
216 HG22 THR 28 1HG2 THR 28 21.399 8.652 -10.805
217 HG23 THR 28 2HG2 THR 28 19.747 9.156 -10.446
218 HA PRO 29 HA PRO 29 16.572 11.717 -10.917
219 HB2 PRO 29 2HB PRO 29 16.062 10.667 -8.466
220 HB3 PRO 29 3HB PRO 29 15.057 10.334 -9.882
221 HG2 PRO 29 2HG PRO 29 17.220 8.665 -8.658
222 HG3 PRO 29 3HG PRO 29 15.634 8.165 -9.274
223 HD2 PRO 29 2HD PRO 29 17.916 7.851 -10.699
224 HD3 PRO 29 3HD PRO 29 16.346 8.164 -11.466
225 H SER 30 H SER 30 18.993 12.393 -11.123
226 HA SER 30 HA SER 30 20.459 12.312 -8.623
227 HB2 SER 30 2HB SER 30 21.061 12.930 -11.413
228 HB3 SER 30 3HB SER 30 21.795 14.076 -10.292
229 HG SER 30 HG SER 30 22.903 11.947 -10.871
230 HA PRO 31 HA PRO 31 19.143 16.162 -6.978
231 HB2 PRO 31 2HB PRO 31 21.422 17.048 -5.798
232 HB3 PRO 31 3HB PRO 31 20.468 15.705 -5.158
233 HG2 PRO 31 2HG PRO 31 22.956 15.638 -6.821
234 HG3 PRO 31 3HG PRO 31 22.529 14.656 -5.407
235 HD2 PRO 31 2HD PRO 31 22.301 13.735 -7.943
236 HD3 PRO 31 3HD PRO 31 21.205 13.229 -6.641
237 HA PRO 32 HA PRO 32 20.137 19.564 -9.581
238 HB2 PRO 32 2HB PRO 32 20.034 21.675 -7.878
239 HB3 PRO 32 3HB PRO 32 18.594 20.800 -8.411
240 HG2 PRO 32 2HG PRO 32 20.130 20.540 -5.855
241 HG3 PRO 32 3HG PRO 32 18.375 20.575 -6.107
242 HD2 PRO 32 2HD PRO 32 19.744 18.273 -5.711
243 HD3 PRO 32 3HD PRO 32 18.294 18.358 -6.732
244 H SER 33 H SER 33 22.324 18.953 -10.047
245 HA SER 33 HA SER 33 24.462 19.909 -8.365
246 HB2 SER 33 2HB SER 33 24.209 18.206 -10.750
247 HB3 SER 33 3HB SER 33 25.662 19.206 -10.728
248 HG SER 33 HG SER 33 26.433 17.804 -9.382
249 H GLU 34 H GLU 34 22.808 20.939 -11.267
250 HA GLU 34 HA GLU 34 24.714 22.928 -12.014
251 HB2 GLU 34 2HB GLU 34 22.720 21.760 -13.350
252 HB3 GLU 34 3HB GLU 34 21.862 23.197 -12.814
253 HG2 GLU 34 2HG GLU 34 24.390 23.988 -13.845
254 HG3 GLU 34 3HG GLU 34 23.617 22.910 -15.005
255 H LYS 35 H LYS 35 22.027 22.801 -9.827
256 HA LYS 35 HA LYS 35 21.901 25.693 -9.545
257 HB2 LYS 35 2HB LYS 35 19.926 23.972 -9.419
258 HB3 LYS 35 3HB LYS 35 20.452 23.780 -7.751
259 HG2 LYS 35 2HG LYS 35 20.290 26.353 -7.644
260 HG3 LYS 35 3HG LYS 35 19.308 26.189 -9.102
261 HD2 LYS 35 2HD LYS 35 17.598 25.929 -7.672
262 HD3 LYS 35 3HD LYS 35 18.217 24.287 -7.478
263 HE2 LYS 35 2HE LYS 35 19.729 25.367 -5.655
264 HE3 LYS 35 3HE LYS 35 18.533 26.661 -5.686
265 HZ1 LYS 35 3HZ LYS 35 17.932 23.795 -5.194
266 HZ2 LYS 35 1HZ LYS 35 16.816 25.066 -5.165
267 HZ3 LYS 35 2HZ LYS 35 18.038 24.987 -3.999
Start of MODEL 14
1 H1 LYS 1 H LYS 1 1.234 -0.687 0.249
2 HA LYS 1 HA LYS 1 2.157 -1.621 -1.875
3 HB2 LYS 1 2HB LYS 1 -0.294 -0.398 -2.761
4 HB3 LYS 1 3HB LYS 1 1.060 0.260 -3.669
5 HG2 LYS 1 2HG LYS 1 0.714 -1.519 -4.987
6 HG3 LYS 1 3HG LYS 1 1.649 -2.372 -3.757
7 HD2 LYS 1 2HD LYS 1 -0.251 -3.301 -2.782
8 HD3 LYS 1 3HD LYS 1 -1.325 -2.100 -3.503
9 HE2 LYS 1 2HE LYS 1 -1.632 -4.211 -4.621
10 HE3 LYS 1 3HE LYS 1 -0.855 -3.078 -5.727
11 HZ1 LYS 1 3HZ LYS 1 0.685 -5.031 -4.120
12 HZ2 LYS 1 1HZ LYS 1 1.203 -4.146 -5.465
13 HZ3 LYS 1 2HZ LYS 1 0.084 -5.399 -5.657
14 H VAL 2 H VAL 2 3.877 -0.621 -0.702
15 HA VAL 2 HA VAL 2 4.799 1.812 -1.966
16 HB VAL 2 HB VAL 2 4.283 1.703 1.005
17 HG11 VAL 2 1HG1 VAL 2 6.488 2.594 0.727
18 HG12 VAL 2 2HG1 VAL 2 5.951 3.647 -0.584
19 HG13 VAL 2 3HG1 VAL 2 5.393 3.935 1.065
20 HG21 VAL 2 3HG2 VAL 2 3.065 3.815 0.547
21 HG22 VAL 2 1HG2 VAL 2 3.356 3.569 -1.175
22 HG23 VAL 2 2HG2 VAL 2 2.369 2.418 -0.274
23 H GLY 3 H GLY 3 5.338 -0.707 0.455
24 HA2 GLY 3 2HA GLY 3 8.176 -0.327 0.555
25 HA3 GLY 3 3HA GLY 3 7.282 -1.685 1.223
26 H PHE 4 H PHE 4 6.137 -1.758 -1.724
27 HA PHE 4 HA PHE 4 8.033 -3.771 -2.591
28 HB2 PHE 4 2HB PHE 4 5.615 -2.923 -4.160
29 HB3 PHE 4 3HB PHE 4 6.383 -4.506 -4.081
30 HD1 PHE 4 HD2 PHE 4 4.298 -2.105 -2.201
31 HD2 PHE 4 HD1 PHE 4 5.708 -6.110 -2.500
32 HE1 PHE 4 HE2 PHE 4 2.673 -2.802 -0.490
33 HE2 PHE 4 HE1 PHE 4 4.085 -6.813 -0.790
34 HZ PHE 4 HZ PHE 4 2.566 -5.158 0.218
35 H PHE 5 H PHE 5 6.785 -0.664 -3.735
36 HA PHE 5 HA PHE 5 8.265 -0.643 -6.157
37 HB2 PHE 5 2HB PHE 5 7.255 1.778 -4.661
38 HB3 PHE 5 3HB PHE 5 7.556 1.631 -6.390
39 HD1 PHE 5 HD2 PHE 5 5.338 0.581 -3.639
40 HD2 PHE 5 HD1 PHE 5 5.919 0.757 -7.851
41 HE1 PHE 5 HE2 PHE 5 2.991 -0.069 -3.986
42 HE2 PHE 5 HE1 PHE 5 3.572 0.108 -8.206
43 HZ PHE 5 HZ PHE 5 2.105 -0.306 -6.272
44 H LYS 6 H LYS 6 8.953 0.348 -2.882
45 HA LYS 6 HA LYS 6 11.114 2.046 -3.276
46 HB2 LYS 6 2HB LYS 6 9.984 0.538 -1.091
47 HB3 LYS 6 3HB LYS 6 11.740 0.490 -1.017
48 HG2 LYS 6 2HG LYS 6 11.822 2.561 -0.240
49 HG3 LYS 6 3HG LYS 6 10.849 3.159 -1.586
50 HD2 LYS 6 2HD LYS 6 8.811 2.583 -0.415
51 HD3 LYS 6 3HD LYS 6 9.738 1.855 0.899
52 HE2 LYS 6 2HE LYS 6 10.144 4.723 0.133
53 HE3 LYS 6 3HE LYS 6 8.816 4.252 1.192
54 HZ1 LYS 6 3HZ LYS 6 11.702 4.194 1.691
55 HZ2 LYS 6 1HZ LYS 6 10.741 3.020 2.441
56 HZ3 LYS 6 2HZ LYS 6 10.440 4.662 2.715
57 H ARG 7 H ARG 7 10.934 -1.448 -3.433
58 HA ARG 7 HA ARG 7 13.816 -1.544 -4.032
59 HB2 ARG 7 2HB ARG 7 11.999 -3.343 -2.573
60 HB3 ARG 7 3HB ARG 7 13.091 -4.153 -3.688
61 HG2 ARG 7 2HG ARG 7 14.328 -4.161 -1.762
62 HG3 ARG 7 3HG ARG 7 14.907 -2.681 -2.531
63 HD2 ARG 7 2HD ARG 7 13.902 -1.333 -1.002
64 HD3 ARG 7 3HD ARG 7 12.552 -2.439 -0.754
65 HE ARG 7 HE ARG 7 13.709 -3.412 0.965
66 HH11 ARG 7 1HH1 ARG 7 15.893 -1.475 -0.932
67 HH12 ARG 7 2HH1 ARG 7 17.212 -1.640 0.179
68 HH21 ARG 7 1HH2 ARG 7 15.439 -3.637 2.435
69 HH22 ARG 7 2HH2 ARG 7 16.953 -2.871 2.093
70 H GLN 8 H GLN 8 10.689 -1.907 -5.331
71 HA GLN 8 HA GLN 8 11.566 -3.578 -7.548
72 HB2 GLN 8 2HB GLN 8 9.333 -3.911 -6.486
73 HB3 GLN 8 3HB GLN 8 8.861 -2.320 -7.066
74 HG2 GLN 8 2HG GLN 8 8.629 -3.013 -9.209
75 HG3 GLN 8 3HG GLN 8 9.897 -4.229 -9.071
76 HE21 GLN 8 1HE2 GLN 8 9.359 -6.132 -7.720
77 HE22 GLN 8 2HE2 GLN 8 7.746 -6.746 -7.798
78 H TYR 9 H TYR 9 10.338 -0.299 -6.987
79 HA TYR 9 HA TYR 9 10.461 0.517 -9.696
80 HB2 TYR 9 2HB TYR 9 9.085 1.689 -8.039
81 HB3 TYR 9 3HB TYR 9 10.534 2.185 -7.171
82 HD1 TYR 9 HD1 TYR 9 12.262 3.576 -8.558
83 HD2 TYR 9 HD2 TYR 9 8.168 3.115 -9.620
84 HE1 TYR 9 HE1 TYR 9 12.397 5.609 -9.935
85 HE2 TYR 9 HE2 TYR 9 8.292 5.147 -11.002
86 HH TYR 9 HH TYR 9 11.139 7.195 -11.006
87 H LYS 10 H LYS 10 12.720 0.773 -6.989
88 HA LYS 10 HA LYS 10 14.654 2.326 -8.373
89 HB2 LYS 10 2HB LYS 10 15.159 0.477 -6.041
90 HB3 LYS 10 3HB LYS 10 16.108 1.879 -6.517
91 HG2 LYS 10 2HG LYS 10 13.246 2.043 -5.606
92 HG3 LYS 10 3HG LYS 10 14.632 2.211 -4.526
93 HD2 LYS 10 2HD LYS 10 15.256 4.235 -5.422
94 HD3 LYS 10 3HD LYS 10 14.508 3.894 -6.984
95 HE2 LYS 10 2HE LYS 10 12.591 4.852 -6.369
96 HE3 LYS 10 3HE LYS 10 12.555 3.962 -4.848
97 HZ1 LYS 10 3HZ LYS 10 13.890 6.544 -5.409
98 HZ2 LYS 10 1HZ LYS 10 14.230 5.629 -4.028
99 HZ3 LYS 10 2HZ LYS 10 12.668 6.225 -4.283
100 H GLU 11 H GLU 11 14.191 -1.139 -7.894
101 HA GLU 11 HA GLU 11 16.649 -1.861 -9.185
102 HB2 GLU 11 2HB GLU 11 16.048 -4.085 -8.790
103 HB3 GLU 11 3HB GLU 11 15.326 -3.217 -7.443
104 HG2 GLU 11 2HG GLU 11 13.165 -3.244 -8.578
105 HG3 GLU 11 3HG GLU 11 13.888 -4.116 -9.929
106 H MET 12 H MET 12 13.406 -1.203 -10.195
107 HA MET 12 HA MET 12 13.687 -2.503 -12.760
108 HB2 MET 12 2HB MET 12 11.550 -0.880 -11.427
109 HB3 MET 12 3HB MET 12 11.484 -1.153 -13.163
110 HG2 MET 12 2HG MET 12 11.936 -3.551 -11.528
111 HG3 MET 12 3HG MET 12 10.369 -2.772 -11.322
112 HE1 MET 12 3HE MET 12 8.960 -2.785 -14.961
113 HE2 MET 12 1HE MET 12 8.455 -2.728 -13.272
114 HE3 MET 12 2HE MET 12 9.613 -1.548 -13.886
115 H MET 13 H MET 13 14.306 0.600 -11.395
116 HA MET 13 HA MET 13 14.320 1.986 -13.933
117 HB2 MET 13 2HB MET 13 14.397 2.713 -11.135
118 HB3 MET 13 3HB MET 13 15.647 3.562 -12.034
119 HG2 MET 13 2HG MET 13 12.916 3.500 -13.186
120 HG3 MET 13 3HG MET 13 13.196 4.515 -11.773
121 HE1 MET 13 3HE MET 13 13.369 7.437 -14.039
122 HE2 MET 13 1HE MET 13 12.350 6.122 -14.627
123 HE3 MET 13 2HE MET 13 12.445 6.458 -12.898
124 H GLU 14 H GLU 14 16.653 0.612 -11.684
125 HA GLU 14 HA GLU 14 18.955 1.654 -13.007
126 HB2 GLU 14 2HB GLU 14 20.234 0.274 -11.537
127 HB3 GLU 14 3HB GLU 14 18.877 0.902 -10.612
128 HG2 GLU 14 2HG GLU 14 17.695 -1.255 -11.029
129 HG3 GLU 14 3HG GLU 14 19.183 -1.864 -11.750
130 H GLU 15 H GLU 15 17.018 -1.238 -13.323
131 HA GLU 15 HA GLU 15 18.880 -2.675 -14.942
132 HB2 GLU 15 2HB GLU 15 17.051 -4.220 -15.350
133 HB3 GLU 15 3HB GLU 15 17.107 -3.794 -13.645
134 HG2 GLU 15 2HG GLU 15 15.263 -2.251 -13.940
135 HG3 GLU 15 3HG GLU 15 15.232 -2.592 -15.670
136 H ALA 16 H ALA 16 16.224 -0.466 -15.570
137 HA ALA 16 HA ALA 16 16.450 -0.853 -18.448
138 HB1 ALA 16 1HB ALA 16 14.641 1.013 -16.920
139 HB2 ALA 16 2HB ALA 16 14.524 0.589 -18.628
140 HB3 ALA 16 3HB ALA 16 14.226 -0.634 -17.394
141 H ASN 17 H ASN 17 17.926 1.003 -16.094
142 HA ASN 17 HA ASN 17 18.289 3.383 -17.706
143 HB2 ASN 17 2HB ASN 17 18.849 2.575 -14.931
144 HB3 ASN 17 3HB ASN 17 20.065 3.632 -15.641
145 HD21 ASN 17 1HD2 ASN 17 16.751 3.744 -16.656
146 HD22 ASN 17 2HD2 ASN 17 16.368 5.267 -15.935
147 H GLY 18 H GLY 18 19.711 0.343 -17.493
148 HA2 GLY 18 2HA GLY 18 21.373 -0.054 -19.303
149 HA3 GLY 18 3HA GLY 18 22.207 1.371 -18.699
150 H GLN 19 H GLN 19 20.759 -1.309 -16.885
151 HA GLN 19 HA GLN 19 22.678 -1.558 -14.961
152 HB2 GLN 19 2HB GLN 19 20.778 -2.851 -14.609
153 HB3 GLN 19 3HB GLN 19 20.831 -3.550 -16.221
154 HG2 GLN 19 2HG GLN 19 22.352 -5.145 -15.635
155 HG3 GLN 19 3HG GLN 19 23.051 -4.164 -14.348
156 HE21 GLN 19 1HE2 GLN 19 21.850 -3.945 -12.376
157 HE22 GLN 19 2HE2 GLN 19 20.768 -5.197 -11.881
158 H ILE 20 H ILE 20 22.880 -2.538 -18.275
159 HA ILE 20 HA ILE 20 25.570 -3.623 -17.755
160 HB ILE 20 HB ILE 20 24.106 -4.544 -20.169
161 HG12 ILE 20 2HG1 ILE 20 23.313 -6.498 -18.571
162 HG13 ILE 20 3HG1 ILE 20 23.356 -5.225 -17.356
163 HG21 ILE 20 1HG2 ILE 20 25.326 -6.683 -18.953
164 HG22 ILE 20 2HG2 ILE 20 26.029 -5.678 -20.219
165 HG23 ILE 20 3HG2 ILE 20 26.377 -5.333 -18.525
166 HD11 ILE 20 3HD1 ILE 20 21.211 -4.999 -18.026
167 HD12 ILE 20 1HD1 ILE 20 21.966 -3.946 -19.223
168 HD13 ILE 20 2HD1 ILE 20 21.536 -5.602 -19.651
169 H ALA 21 H ALA 21 23.733 -1.272 -19.280
170 HA ALA 21 HA ALA 21 25.786 -0.793 -21.332
171 HB1 ALA 21 1HB ALA 21 22.885 -0.375 -21.234
172 HB2 ALA 21 2HB ALA 21 23.801 0.962 -21.931
173 HB3 ALA 21 3HB ALA 21 23.949 -0.657 -22.613
174 HA PRO 22 HA PRO 22 27.231 2.899 -19.454
175 HB2 PRO 22 2HB PRO 22 27.401 4.643 -21.527
176 HB3 PRO 22 3HB PRO 22 28.502 3.275 -21.331
177 HG2 PRO 22 2HG PRO 22 26.083 3.525 -23.078
178 HG3 PRO 22 3HG PRO 22 27.667 2.823 -23.454
179 HD2 PRO 22 2HD PRO 22 25.516 1.307 -22.818
180 HD3 PRO 22 3HD PRO 22 27.175 0.832 -22.402
181 H GLU 23 H GLU 23 24.227 3.023 -21.180
182 HA GLU 23 HA GLU 23 23.386 5.620 -20.815
183 HB2 GLU 23 2HB GLU 23 21.050 4.522 -20.555
184 HB3 GLU 23 3HB GLU 23 21.931 4.307 -22.061
185 HG2 GLU 23 2HG GLU 23 22.740 2.189 -20.446
186 HG3 GLU 23 3HG GLU 23 21.005 2.340 -20.174
187 H ASN 24 H ASN 24 23.870 3.157 -18.447
188 HA ASN 24 HA ASN 24 22.206 4.220 -16.406
189 HB2 ASN 24 2HB ASN 24 23.539 1.888 -16.698
190 HB3 ASN 24 3HB ASN 24 24.637 2.728 -15.606
191 HD21 ASN 24 1HD2 ASN 24 21.480 1.350 -16.003
192 HD22 ASN 24 2HD2 ASN 24 21.035 1.375 -14.334
193 H GLY 25 H GLY 25 22.483 6.281 -15.782
194 HA2 GLY 25 2HA GLY 25 23.776 7.569 -14.118
195 HA3 GLY 25 3HA GLY 25 25.216 7.097 -15.008
196 H THR 26 H THR 26 23.310 7.543 -17.472
197 HA THR 26 HA THR 26 24.162 10.301 -17.855
198 HB THR 26 HB THR 26 22.797 8.478 -19.843
199 HG1 THR 26 HG1 THR 26 24.856 7.933 -20.523
200 HG21 THR 26 3HG2 THR 26 22.616 10.564 -20.785
201 HG22 THR 26 1HG2 THR 26 24.216 10.104 -21.364
202 HG23 THR 26 2HG2 THR 26 24.056 11.177 -19.973
203 H GLN 27 H GLN 27 21.174 8.394 -17.877
204 HA GLN 27 HA GLN 27 19.646 10.910 -17.856
205 HB2 GLN 27 2HB GLN 27 18.898 8.139 -18.782
206 HB3 GLN 27 3HB GLN 27 17.709 9.412 -18.538
207 HG2 GLN 27 2HG GLN 27 19.673 10.574 -20.124
208 HG3 GLN 27 3HG GLN 27 19.479 8.943 -20.763
209 HE21 GLN 27 1HE2 GLN 27 18.129 12.063 -20.487
210 HE22 GLN 27 2HE2 GLN 27 16.679 11.768 -21.379
211 H THR 28 H THR 28 20.690 8.406 -15.915
212 HA THR 28 HA THR 28 18.610 7.671 -14.298
213 HB THR 28 HB THR 28 21.407 7.543 -14.125
214 HG1 THR 28 HG1 THR 28 20.597 5.712 -13.450
215 HG21 THR 28 3HG2 THR 28 21.281 9.533 -12.640
216 HG22 THR 28 1HG2 THR 28 21.913 8.100 -11.832
217 HG23 THR 28 2HG2 THR 28 20.249 8.610 -11.549
218 HA PRO 29 HA PRO 29 17.118 11.196 -12.147
219 HB2 PRO 29 2HB PRO 29 16.487 10.124 -9.733
220 HB3 PRO 29 3HB PRO 29 15.550 9.810 -11.198
221 HG2 PRO 29 2HG PRO 29 17.645 8.118 -9.891
222 HG3 PRO 29 3HG PRO 29 16.087 7.632 -10.586
223 HD2 PRO 29 2HD PRO 29 18.432 7.322 -11.904
224 HD3 PRO 29 3HD PRO 29 16.902 7.651 -12.742
225 H SER 30 H SER 30 19.565 11.837 -12.234
226 HA SER 30 HA SER 30 21.164 11.602 -9.930
227 HB2 SER 30 2HB SER 30 22.522 12.340 -11.587
228 HB3 SER 30 3HB SER 30 21.211 13.174 -12.420
229 HG SER 30 HG SER 30 23.035 14.410 -11.287
230 HA PRO 31 HA PRO 31 19.496 14.498 -7.086
231 HB2 PRO 31 2HB PRO 31 21.749 15.451 -5.907
232 HB3 PRO 31 3HB PRO 31 21.129 13.821 -5.618
233 HG2 PRO 31 2HG PRO 31 23.326 14.715 -7.444
234 HG3 PRO 31 3HG PRO 31 23.273 13.313 -6.360
235 HD2 PRO 31 2HD PRO 31 22.831 13.112 -9.024
236 HD3 PRO 31 3HD PRO 31 22.033 12.056 -7.841
237 HA PRO 32 HA PRO 32 19.535 18.619 -8.620
238 HB2 PRO 32 2HB PRO 32 19.339 20.105 -6.356
239 HB3 PRO 32 3HB PRO 32 17.999 19.147 -6.996
240 HG2 PRO 32 2HG PRO 32 19.911 18.491 -4.788
241 HG3 PRO 32 3HG PRO 32 18.156 18.247 -4.857
242 HD2 PRO 32 2HD PRO 32 19.924 16.245 -5.301
243 HD3 PRO 32 3HD PRO 32 18.347 16.323 -6.112
244 H SER 33 H SER 33 21.099 19.891 -9.386
245 HA SER 33 HA SER 33 23.680 19.937 -8.036
246 HB2 SER 33 2HB SER 33 22.872 21.032 -10.741
247 HB3 SER 33 3HB SER 33 24.519 20.938 -10.118
248 HG SER 33 HG SER 33 24.274 19.137 -11.331
249 H GLU 34 H GLU 34 21.023 22.057 -8.837
250 HA GLU 34 HA GLU 34 22.477 24.399 -7.874
251 HB2 GLU 34 2HB GLU 34 19.686 24.165 -9.014
252 HB3 GLU 34 3HB GLU 34 20.502 25.668 -8.609
253 HG2 GLU 34 2HG GLU 34 22.270 24.363 -10.299
254 HG3 GLU 34 3HG GLU 34 20.680 24.052 -10.994
255 H LYS 35 H LYS 35 20.030 22.150 -6.888
256 HA LYS 35 HA LYS 35 18.870 21.867 -4.953
257 HB2 LYS 35 2HB LYS 35 21.398 23.114 -4.191
258 HB3 LYS 35 3HB LYS 35 20.109 23.436 -3.039
259 HG2 LYS 35 2HG LYS 35 19.697 20.873 -3.189
260 HG3 LYS 35 3HG LYS 35 21.347 20.835 -3.816
261 HD2 LYS 35 2HD LYS 35 21.998 20.778 -1.679
262 HD3 LYS 35 3HD LYS 35 21.546 22.483 -1.615
263 HE2 LYS 35 2HE LYS 35 20.143 21.896 0.019
264 HE3 LYS 35 3HE LYS 35 19.146 21.185 -1.250
265 HZ1 LYS 35 3HZ LYS 35 21.321 19.621 -0.023
266 HZ2 LYS 35 1HZ LYS 35 19.917 19.074 -0.791
267 HZ3 LYS 35 2HZ LYS 35 19.825 19.750 0.756
Start of MODEL 15
1 H1 LYS 1 H LYS 1 1.504 -1.480 0.779
2 HA LYS 1 HA LYS 1 2.396 -2.632 -1.779
3 HB2 LYS 1 2HB LYS 1 0.594 -0.515 -2.325
4 HB3 LYS 1 3HB LYS 1 0.404 -2.224 -2.695
5 HG2 LYS 1 2HG LYS 1 -0.290 -1.124 0.004
6 HG3 LYS 1 3HG LYS 1 -1.431 -1.072 -1.341
7 HD2 LYS 1 2HD LYS 1 -0.129 -3.675 -0.857
8 HD3 LYS 1 3HD LYS 1 -1.247 -3.129 0.395
9 HE2 LYS 1 2HE LYS 1 -2.931 -2.732 -1.424
10 HE3 LYS 1 3HE LYS 1 -1.820 -3.529 -2.536
11 HZ1 LYS 1 3HZ LYS 1 -1.924 -5.369 -0.671
12 HZ2 LYS 1 1HZ LYS 1 -3.069 -5.299 -1.914
13 HZ3 LYS 1 2HZ LYS 1 -3.438 -4.670 -0.388
14 H VAL 2 H VAL 2 4.067 -1.287 0.009
15 HA VAL 2 HA VAL 2 4.790 1.027 -1.625
16 HB VAL 2 HB VAL 2 4.361 1.111 1.355
17 HG11 VAL 2 1HG1 VAL 2 5.994 2.965 -0.367
18 HG12 VAL 2 2HG1 VAL 2 5.392 3.396 1.235
19 HG13 VAL 2 3HG1 VAL 2 6.525 2.057 1.048
20 HG21 VAL 2 3HG2 VAL 2 3.475 3.425 -0.032
21 HG22 VAL 2 1HG2 VAL 2 2.890 2.007 -0.901
22 HG23 VAL 2 2HG2 VAL 2 2.511 2.212 0.809
23 H GLY 3 H GLY 3 5.658 -1.298 0.877
24 HA2 GLY 3 2HA GLY 3 8.447 -0.656 0.867
25 HA3 GLY 3 3HA GLY 3 7.708 -2.076 1.593
26 H PHE 4 H PHE 4 6.484 -2.336 -1.308
27 HA PHE 4 HA PHE 4 8.545 -4.171 -2.197
28 HB2 PHE 4 2HB PHE 4 5.995 -3.622 -3.688
29 HB3 PHE 4 3HB PHE 4 6.928 -5.112 -3.605
30 HD1 PHE 4 HD1 PHE 4 4.661 -2.899 -1.709
31 HD2 PHE 4 HD2 PHE 4 6.500 -6.730 -1.948
32 HE1 PHE 4 HE1 PHE 4 3.185 -3.716 0.082
33 HE2 PHE 4 HE2 PHE 4 5.026 -7.553 -0.158
34 HZ PHE 4 HZ PHE 4 3.365 -6.046 0.859
35 H PHE 5 H PHE 5 6.943 -1.238 -3.360
36 HA PHE 5 HA PHE 5 8.323 -1.134 -5.840
37 HB2 PHE 5 2HB PHE 5 7.087 1.185 -4.348
38 HB3 PHE 5 3HB PHE 5 7.392 1.074 -6.078
39 HD1 PHE 5 HD2 PHE 5 5.350 -0.290 -3.317
40 HD2 PHE 5 HD1 PHE 5 5.828 0.090 -7.529
41 HE1 PHE 5 HE2 PHE 5 3.089 -1.199 -3.652
42 HE2 PHE 5 HE1 PHE 5 3.566 -0.818 -7.871
43 HZ PHE 5 HZ PHE 5 2.194 -1.465 -5.931
44 H LYS 6 H LYS 6 9.022 0.008 -2.619
45 HA LYS 6 HA LYS 6 10.975 1.914 -3.135
46 HB2 LYS 6 2HB LYS 6 10.545 -0.001 -0.861
47 HB3 LYS 6 3HB LYS 6 11.939 1.071 -0.878
48 HG2 LYS 6 2HG LYS 6 9.043 1.893 -0.934
49 HG3 LYS 6 3HG LYS 6 10.161 2.046 0.424
50 HD2 LYS 6 2HD LYS 6 11.588 3.484 -1.112
51 HD3 LYS 6 3HD LYS 6 10.198 3.520 -2.200
52 HE2 LYS 6 2HE LYS 6 9.695 4.182 0.641
53 HE3 LYS 6 3HE LYS 6 10.617 5.356 -0.297
54 HZ1 LYS 6 3HZ LYS 6 8.291 4.380 -1.670
55 HZ2 LYS 6 1HZ LYS 6 8.811 5.971 -1.421
56 HZ3 LYS 6 2HZ LYS 6 7.917 5.176 -0.225
57 H ARG 7 H ARG 7 11.176 -1.590 -3.145
58 HA ARG 7 HA ARG 7 14.027 -1.404 -3.851
59 HB2 ARG 7 2HB ARG 7 14.192 -3.761 -3.215
60 HB3 ARG 7 3HB ARG 7 13.554 -2.795 -1.891
61 HG2 ARG 7 2HG ARG 7 11.241 -3.527 -2.858
62 HG3 ARG 7 3HG ARG 7 12.188 -4.827 -3.585
63 HD2 ARG 7 2HD ARG 7 13.145 -4.973 -1.106
64 HD3 ARG 7 3HD ARG 7 11.565 -4.282 -0.736
65 HE ARG 7 HE ARG 7 11.062 -6.393 -2.419
66 HH11 ARG 7 1HH1 ARG 7 12.607 -5.958 0.671
67 HH12 ARG 7 2HH1 ARG 7 12.199 -7.541 1.244
68 HH21 ARG 7 1HH2 ARG 7 10.519 -8.480 -1.676
69 HH22 ARG 7 2HH2 ARG 7 11.012 -8.975 -0.092
70 H GLN 8 H GLN 8 10.917 -2.124 -5.057
71 HA GLN 8 HA GLN 8 11.899 -3.735 -7.269
72 HB2 GLN 8 2HB GLN 8 9.726 -4.241 -6.152
73 HB3 GLN 8 3HB GLN 8 9.103 -2.711 -6.756
74 HG2 GLN 8 2HG GLN 8 9.983 -3.801 -9.052
75 HG3 GLN 8 3HG GLN 8 9.558 -5.257 -8.154
76 HE21 GLN 8 1HE2 GLN 8 7.370 -5.017 -6.979
77 HE22 GLN 8 2HE2 GLN 8 6.083 -4.386 -7.943
78 H TYR 9 H TYR 9 10.360 -0.578 -6.760
79 HA TYR 9 HA TYR 9 10.350 0.198 -9.473
80 HB2 TYR 9 2HB TYR 9 8.951 1.291 -7.778
81 HB3 TYR 9 3HB TYR 9 10.390 1.925 -6.988
82 HD1 TYR 9 HD2 TYR 9 11.936 3.415 -8.483
83 HD2 TYR 9 HD1 TYR 9 7.852 2.595 -9.349
84 HE1 TYR 9 HE2 TYR 9 11.843 5.416 -9.911
85 HE2 TYR 9 HE1 TYR 9 7.748 4.592 -10.780
86 HH TYR 9 HH TYR 9 9.336 6.967 -10.743
87 H LYS 10 H LYS 10 12.669 0.722 -6.852
88 HA LYS 10 HA LYS 10 14.425 2.380 -8.336
89 HB2 LYS 10 2HB LYS 10 15.836 2.299 -6.494
90 HB3 LYS 10 3HB LYS 10 14.263 1.992 -5.771
91 HG2 LYS 10 2HG LYS 10 14.773 -0.451 -5.899
92 HG3 LYS 10 3HG LYS 10 16.407 -0.019 -6.405
93 HD2 LYS 10 2HD LYS 10 15.367 1.284 -3.956
94 HD3 LYS 10 3HD LYS 10 15.743 -0.438 -3.850
95 HE2 LYS 10 2HE LYS 10 17.933 -0.034 -3.817
96 HE3 LYS 10 3HE LYS 10 17.825 1.008 -5.234
97 HZ1 LYS 10 3HZ LYS 10 16.753 2.304 -2.951
98 HZ2 LYS 10 1HZ LYS 10 18.020 2.793 -3.960
99 HZ3 LYS 10 2HZ LYS 10 18.332 1.783 -2.640
100 H GLU 11 H GLU 11 14.047 -1.071 -8.041
101 HA GLU 11 HA GLU 11 16.590 -1.712 -9.216
102 HB2 GLU 11 2HB GLU 11 14.205 -3.234 -8.299
103 HB3 GLU 11 3HB GLU 11 15.244 -4.004 -9.489
104 HG2 GLU 11 2HG GLU 11 16.392 -2.820 -6.995
105 HG3 GLU 11 3HG GLU 11 15.675 -4.430 -6.991
106 H MET 12 H MET 12 13.268 -1.391 -10.334
107 HA MET 12 HA MET 12 13.831 -2.363 -12.976
108 HB2 MET 12 2HB MET 12 11.582 -2.089 -13.410
109 HB3 MET 12 3HB MET 12 11.564 -2.289 -11.663
110 HG2 MET 12 2HG MET 12 10.272 -0.461 -11.733
111 HG3 MET 12 3HG MET 12 11.819 0.378 -11.817
112 HE1 MET 12 3HE MET 12 9.113 -1.362 -13.630
113 HE2 MET 12 1HE MET 12 8.320 0.181 -13.950
114 HE3 MET 12 2HE MET 12 9.079 -0.710 -15.269
115 H MET 13 H MET 13 14.115 0.646 -11.349
116 HA MET 13 HA MET 13 14.060 2.241 -13.766
117 HB2 MET 13 2HB MET 13 13.306 2.978 -11.409
118 HB3 MET 13 3HB MET 13 15.020 3.188 -11.079
119 HG2 MET 13 2HG MET 13 14.542 5.288 -11.757
120 HG3 MET 13 3HG MET 13 14.897 4.577 -13.330
121 HE1 MET 13 3HE MET 13 13.528 4.218 -15.090
122 HE2 MET 13 1HE MET 13 11.869 4.770 -15.321
123 HE3 MET 13 2HE MET 13 13.174 5.945 -15.161
124 H GLU 14 H GLU 14 16.439 0.915 -11.537
125 HA GLU 14 HA GLU 14 18.665 2.273 -12.718
126 HB2 GLU 14 2HB GLU 14 18.406 -0.004 -10.768
127 HB3 GLU 14 3HB GLU 14 19.971 0.495 -11.393
128 HG2 GLU 14 2HG GLU 14 18.143 2.498 -10.145
129 HG3 GLU 14 3HG GLU 14 19.132 1.441 -9.140
130 H GLU 15 H GLU 15 16.983 -0.713 -13.293
131 HA GLU 15 HA GLU 15 19.059 -1.910 -14.870
132 HB2 GLU 15 2HB GLU 15 17.510 -3.664 -15.304
133 HB3 GLU 15 3HB GLU 15 17.269 -3.180 -13.631
134 HG2 GLU 15 2HG GLU 15 15.302 -1.920 -14.237
135 HG3 GLU 15 3HG GLU 15 15.566 -2.278 -15.943
136 H ALA 16 H ALA 16 16.265 0.106 -15.476
137 HA ALA 16 HA ALA 16 16.580 -0.154 -18.365
138 HB1 ALA 16 1HB ALA 16 14.319 -0.192 -17.402
139 HB2 ALA 16 2HB ALA 16 14.564 1.446 -16.793
140 HB3 ALA 16 3HB ALA 16 14.540 1.145 -18.531
141 H ASN 17 H ASN 17 17.773 1.753 -15.876
142 HA ASN 17 HA ASN 17 17.984 4.204 -17.405
143 HB2 ASN 17 2HB ASN 17 18.531 3.360 -14.627
144 HB3 ASN 17 3HB ASN 17 19.609 4.599 -15.263
145 HD21 ASN 17 1HD2 ASN 17 16.304 4.235 -16.302
146 HD22 ASN 17 2HD2 ASN 17 15.709 5.686 -15.577
147 H GLY 18 H GLY 18 19.669 1.307 -17.226
148 HA2 GLY 18 2HA GLY 18 21.450 1.118 -18.943
149 HA3 GLY 18 3HA GLY 18 22.110 2.604 -18.276
150 H GLN 19 H GLN 19 20.852 -0.236 -16.567
151 HA GLN 19 HA GLN 19 22.730 -0.330 -14.579
152 HB2 GLN 19 2HB GLN 19 20.917 -1.762 -14.289
153 HB3 GLN 19 3HB GLN 19 21.084 -2.462 -15.894
154 HG2 GLN 19 2HG GLN 19 22.792 -3.872 -15.248
155 HG3 GLN 19 3HG GLN 19 23.221 -2.882 -13.854
156 HE21 GLN 19 1HE2 GLN 19 22.480 -3.474 -11.934
157 HE22 GLN 19 2HE2 GLN 19 21.241 -4.643 -11.650
158 H ILE 20 H ILE 20 23.095 -1.268 -17.889
159 HA ILE 20 HA ILE 20 25.822 -2.217 -17.295
160 HB ILE 20 HB ILE 20 24.522 -3.050 -19.832
161 HG12 ILE 20 2HG1 ILE 20 23.744 -5.130 -18.388
162 HG13 ILE 20 3HG1 ILE 20 23.660 -3.924 -17.108
163 HG21 ILE 20 1HG2 ILE 20 26.723 -3.871 -18.091
164 HG22 ILE 20 2HG2 ILE 20 25.770 -5.211 -18.725
165 HG23 ILE 20 3HG2 ILE 20 26.520 -4.062 -19.832
166 HD11 ILE 20 3HD1 ILE 20 21.970 -4.284 -19.494
167 HD12 ILE 20 1HD1 ILE 20 21.552 -3.726 -17.874
168 HD13 ILE 20 2HD1 ILE 20 22.320 -2.623 -19.016
169 H ALA 21 H ALA 21 23.943 0.125 -18.803
170 HA ALA 21 HA ALA 21 26.084 0.823 -20.695
171 HB1 ALA 21 1HB ALA 21 23.777 2.467 -21.031
172 HB2 ALA 21 2HB ALA 21 24.476 1.293 -22.148
173 HB3 ALA 21 3HB ALA 21 23.275 0.777 -20.965
174 HA PRO 22 HA PRO 22 27.224 4.463 -18.527
175 HB2 PRO 22 2HB PRO 22 27.457 6.319 -20.494
176 HB3 PRO 22 3HB PRO 22 28.604 4.990 -20.286
177 HG2 PRO 22 2HG PRO 22 26.305 5.227 -22.189
178 HG3 PRO 22 3HG PRO 22 27.943 4.614 -22.484
179 HD2 PRO 22 2HD PRO 22 25.825 2.976 -22.080
180 HD3 PRO 22 3HD PRO 22 27.471 2.552 -21.569
181 H GLU 23 H GLU 23 24.227 4.259 -20.029
182 HA GLU 23 HA GLU 23 23.239 6.880 -19.791
183 HB2 GLU 23 2HB GLU 23 21.997 4.167 -19.955
184 HB3 GLU 23 3HB GLU 23 20.985 5.535 -19.514
185 HG2 GLU 23 2HG GLU 23 22.357 6.462 -21.706
186 HG3 GLU 23 3HG GLU 23 22.069 4.768 -22.097
187 H ASN 24 H ASN 24 23.520 4.251 -17.484
188 HA ASN 24 HA ASN 24 21.848 5.150 -15.464
189 HB2 ASN 24 2HB ASN 24 23.711 3.107 -15.760
190 HB3 ASN 24 3HB ASN 24 24.334 4.058 -14.414
191 HD21 ASN 24 1HD2 ASN 24 21.377 2.542 -15.622
192 HD22 ASN 24 2HD2 ASN 24 20.752 2.118 -14.068
193 H GLY 25 H GLY 25 21.810 7.231 -14.838
194 HA2 GLY 25 2HA GLY 25 22.841 8.674 -13.120
195 HA3 GLY 25 3HA GLY 25 24.370 8.409 -13.945
196 H THR 26 H THR 26 22.324 8.618 -16.414
197 HA THR 26 HA THR 26 22.949 11.426 -16.860
198 HB THR 26 HB THR 26 22.259 11.052 -19.164
199 HG1 THR 26 HG1 THR 26 20.665 9.606 -19.224
200 HG21 THR 26 3HG2 THR 26 24.013 9.634 -19.832
201 HG22 THR 26 1HG2 THR 26 23.889 8.651 -18.374
202 HG23 THR 26 2HG2 THR 26 24.537 10.289 -18.281
203 H GLN 27 H GLN 27 20.091 9.307 -16.902
204 HA GLN 27 HA GLN 27 18.405 11.711 -16.688
205 HB2 GLN 27 2HB GLN 27 18.218 9.399 -18.352
206 HB3 GLN 27 3HB GLN 27 16.837 9.408 -17.264
207 HG2 GLN 27 2HG GLN 27 16.185 11.588 -18.009
208 HG3 GLN 27 3HG GLN 27 17.654 11.745 -18.972
209 HE21 GLN 27 1HE2 GLN 27 17.821 10.659 -20.915
210 HE22 GLN 27 2HE2 GLN 27 16.462 9.930 -21.694
211 H THR 28 H THR 28 19.664 9.206 -14.911
212 HA THR 28 HA THR 28 17.672 8.187 -13.335
213 HB THR 28 HB THR 28 20.471 8.307 -13.178
214 HG1 THR 28 HG1 THR 28 20.125 6.563 -11.764
215 HG21 THR 28 3HG2 THR 28 20.175 10.184 -11.574
216 HG22 THR 28 1HG2 THR 28 20.941 8.768 -10.856
217 HG23 THR 28 2HG2 THR 28 19.239 9.106 -10.539
218 HA PRO 29 HA PRO 29 15.883 11.429 -10.975
219 HB2 PRO 29 2HB PRO 29 15.368 10.163 -8.630
220 HB3 PRO 29 3HB PRO 29 14.452 9.853 -10.110
221 HG2 PRO 29 2HG PRO 29 16.700 8.282 -8.909
222 HG3 PRO 29 3HG PRO 29 15.189 7.700 -9.630
223 HD2 PRO 29 2HD PRO 29 17.543 7.682 -10.968
224 HD3 PRO 29 3HD PRO 29 15.983 7.920 -11.782
225 H SER 30 H SER 30 18.255 12.301 -11.026
226 HA SER 30 HA SER 30 19.526 12.219 -8.402
227 HB2 SER 30 2HB SER 30 20.398 12.767 -11.126
228 HB3 SER 30 3HB SER 30 20.974 13.986 -9.990
229 HG SER 30 HG SER 30 21.224 11.207 -9.513
230 HA PRO 31 HA PRO 31 17.983 16.072 -6.977
231 HB2 PRO 31 2HB PRO 31 20.116 17.025 -5.594
232 HB3 PRO 31 3HB PRO 31 19.127 15.676 -5.024
233 HG2 PRO 31 2HG PRO 31 21.770 15.627 -6.429
234 HG3 PRO 31 3HG PRO 31 21.221 14.664 -5.045
235 HD2 PRO 31 2HD PRO 31 21.265 13.691 -7.572
236 HD3 PRO 31 3HD PRO 31 20.054 13.187 -6.375
237 HA PRO 32 HA PRO 32 19.170 19.443 -9.538
238 HB2 PRO 32 2HB PRO 32 18.858 21.583 -7.898
239 HB3 PRO 32 3HB PRO 32 17.495 20.669 -8.555
240 HG2 PRO 32 2HG PRO 32 18.771 20.489 -5.852
241 HG3 PRO 32 3HG PRO 32 17.050 20.483 -6.280
242 HD2 PRO 32 2HD PRO 32 18.415 18.218 -5.701
243 HD3 PRO 32 3HD PRO 32 17.073 18.254 -6.863
244 H SER 33 H SER 33 20.851 18.987 -6.531
245 HA SER 33 HA SER 33 22.834 20.983 -6.863
246 HB2 SER 33 2HB SER 33 23.518 18.485 -5.399
247 HB3 SER 33 3HB SER 33 23.749 20.168 -4.926
248 HG SER 33 HG SER 33 21.707 18.486 -4.350
249 H GLU 34 H GLU 34 22.460 17.744 -8.084
250 HA GLU 34 HA GLU 34 25.191 17.450 -8.917
251 HB2 GLU 34 2HB GLU 34 22.865 15.796 -8.767
252 HB3 GLU 34 3HB GLU 34 23.499 15.721 -10.405
253 HG2 GLU 34 2HG GLU 34 24.829 14.124 -9.602
254 HG3 GLU 34 3HG GLU 34 25.770 15.458 -8.938
255 H LYS 35 H LYS 35 22.294 18.785 -10.263
256 HA LYS 35 HA LYS 35 21.821 19.815 -12.236
257 HB2 LYS 35 2HB LYS 35 24.422 20.611 -11.465
258 HB3 LYS 35 3HB LYS 35 24.476 20.337 -13.202
259 HG2 LYS 35 2HG LYS 35 22.604 21.866 -13.512
260 HG3 LYS 35 3HG LYS 35 22.525 22.130 -11.768
261 HD2 LYS 35 2HD LYS 35 23.862 23.886 -12.203
262 HD3 LYS 35 3HD LYS 35 25.141 22.672 -12.268
263 HE2 LYS 35 2HE LYS 35 24.872 22.497 -14.681
264 HE3 LYS 35 3HE LYS 35 23.551 23.664 -14.633
265 HZ1 LYS 35 3HZ LYS 35 25.814 24.539 -15.278
266 HZ2 LYS 35 1HZ LYS 35 26.268 24.323 -13.662
267 HZ3 LYS 35 2HZ LYS 35 25.010 25.384 -14.053
Start of MODEL 16
1 H1 LYS 1 H LYS 1 1.775 -0.774 0.435
2 HA LYS 1 HA LYS 1 2.300 -1.972 -2.134
3 HB2 LYS 1 2HB LYS 1 0.614 0.188 -2.809
4 HB3 LYS 1 3HB LYS 1 0.345 -1.524 -3.110
5 HG2 LYS 1 2HG LYS 1 -0.370 -0.280 -0.482
6 HG3 LYS 1 3HG LYS 1 -1.463 -0.209 -1.865
7 HD2 LYS 1 2HD LYS 1 -0.334 -2.864 -1.240
8 HD3 LYS 1 3HD LYS 1 -1.467 -2.206 -0.056
9 HE2 LYS 1 2HE LYS 1 -3.191 -2.686 -1.372
10 HE3 LYS 1 3HE LYS 1 -2.474 -1.786 -2.707
11 HZ1 LYS 1 3HZ LYS 1 -1.426 -3.673 -3.520
12 HZ2 LYS 1 1HZ LYS 1 -2.936 -4.262 -3.033
13 HZ3 LYS 1 2HZ LYS 1 -1.574 -4.522 -2.065
14 H VAL 2 H VAL 2 3.946 -0.659 -0.295
15 HA VAL 2 HA VAL 2 4.817 1.603 -1.931
16 HB VAL 2 HB VAL 2 4.293 1.741 1.033
17 HG11 VAL 2 1HG1 VAL 2 6.494 2.616 0.775
18 HG12 VAL 2 2HG1 VAL 2 6.029 3.525 -0.665
19 HG13 VAL 2 3HG1 VAL 2 5.397 3.989 0.915
20 HG21 VAL 2 3HG2 VAL 2 2.550 3.009 0.478
21 HG22 VAL 2 1HG2 VAL 2 3.551 4.031 -0.553
22 HG23 VAL 2 2HG2 VAL 2 2.833 2.557 -1.203
23 H GLY 3 H GLY 3 5.505 -0.724 0.624
24 HA2 GLY 3 2HA GLY 3 8.321 -0.185 0.690
25 HA3 GLY 3 3HA GLY 3 7.502 -1.549 1.437
26 H PHE 4 H PHE 4 6.342 -1.873 -1.474
27 HA PHE 4 HA PHE 4 8.355 -3.806 -2.253
28 HB2 PHE 4 2HB PHE 4 5.864 -3.216 -3.825
29 HB3 PHE 4 3HB PHE 4 6.738 -4.737 -3.667
30 HD1 PHE 4 HD1 PHE 4 4.513 -2.374 -1.905
31 HD2 PHE 4 HD2 PHE 4 6.206 -6.279 -1.969
32 HE1 PHE 4 HE1 PHE 4 2.964 -3.071 -0.126
33 HE2 PHE 4 HE2 PHE 4 4.658 -6.983 -0.191
34 HZ PHE 4 HZ PHE 4 3.034 -5.378 0.733
35 H PHE 5 H PHE 5 6.832 -0.910 -3.622
36 HA PHE 5 HA PHE 5 8.307 -0.930 -6.039
37 HB2 PHE 5 2HB PHE 5 7.098 1.490 -4.695
38 HB3 PHE 5 3HB PHE 5 7.429 1.273 -6.411
39 HD1 PHE 5 HD1 PHE 5 5.285 0.174 -3.616
40 HD2 PHE 5 HD2 PHE 5 5.879 0.201 -7.831
41 HE1 PHE 5 HE1 PHE 5 3.005 -0.690 -3.940
42 HE2 PHE 5 HE2 PHE 5 3.599 -0.662 -8.161
43 HZ PHE 5 HZ PHE 5 2.158 -1.109 -6.214
44 H LYS 6 H LYS 6 8.958 0.281 -2.843
45 HA LYS 6 HA LYS 6 10.958 2.141 -3.364
46 HB2 LYS 6 2HB LYS 6 9.962 0.704 -1.086
47 HB3 LYS 6 3HB LYS 6 11.720 0.726 -1.037
48 HG2 LYS 6 2HG LYS 6 11.806 2.919 -0.583
49 HG3 LYS 6 3HG LYS 6 10.483 3.304 -1.686
50 HD2 LYS 6 2HD LYS 6 8.964 2.213 0.073
51 HD3 LYS 6 3HD LYS 6 10.345 2.361 1.162
52 HE2 LYS 6 2HE LYS 6 10.405 4.786 0.697
53 HE3 LYS 6 3HE LYS 6 8.971 4.606 -0.312
54 HZ1 LYS 6 3HZ LYS 6 9.045 5.058 2.407
55 HZ2 LYS 6 1HZ LYS 6 8.550 3.449 2.241
56 HZ3 LYS 6 2HZ LYS 6 7.685 4.683 1.474
57 H ARG 7 H ARG 7 11.091 -1.366 -3.265
58 HA ARG 7 HA ARG 7 13.957 -1.253 -3.923
59 HB2 ARG 7 2HB ARG 7 14.088 -3.572 -3.188
60 HB3 ARG 7 3HB ARG 7 13.397 -2.568 -1.921
61 HG2 ARG 7 2HG ARG 7 11.132 -3.351 -3.046
62 HG3 ARG 7 3HG ARG 7 12.146 -4.706 -3.545
63 HD2 ARG 7 2HD ARG 7 12.741 -5.158 -1.248
64 HD3 ARG 7 3HD ARG 7 11.859 -3.730 -0.707
65 HE ARG 7 HE ARG 7 9.907 -4.923 -0.847
66 HH11 ARG 7 1HH1 ARG 7 12.422 -6.632 -2.542
67 HH12 ARG 7 2HH1 ARG 7 11.469 -8.058 -2.786
68 HH21 ARG 7 1HH2 ARG 7 8.642 -6.794 -1.162
69 HH22 ARG 7 2HH2 ARG 7 9.318 -8.149 -2.002
70 H GLN 8 H GLN 8 10.856 -1.964 -5.158
71 HA GLN 8 HA GLN 8 11.847 -3.668 -7.295
72 HB2 GLN 8 2HB GLN 8 9.107 -2.672 -6.538
73 HB3 GLN 8 3HB GLN 8 9.404 -3.532 -8.042
74 HG2 GLN 8 2HG GLN 8 10.395 -4.806 -5.570
75 HG3 GLN 8 3HG GLN 8 8.647 -4.738 -5.787
76 HE21 GLN 8 1HE2 GLN 8 9.080 -7.126 -5.770
77 HE22 GLN 8 2HE2 GLN 8 9.382 -7.879 -7.295
78 H TYR 9 H TYR 9 10.363 -0.464 -6.927
79 HA TYR 9 HA TYR 9 10.415 0.217 -9.663
80 HB2 TYR 9 2HB TYR 9 9.019 1.400 -8.023
81 HB3 TYR 9 3HB TYR 9 10.464 2.032 -7.242
82 HD1 TYR 9 HD1 TYR 9 12.059 3.429 -8.776
83 HD2 TYR 9 HD2 TYR 9 7.965 2.671 -9.651
84 HE1 TYR 9 HE1 TYR 9 12.026 5.376 -10.278
85 HE2 TYR 9 HE2 TYR 9 7.921 4.615 -11.157
86 HH TYR 9 HH TYR 9 9.361 6.024 -12.388
87 H LYS 10 H LYS 10 12.710 0.772 -7.028
88 HA LYS 10 HA LYS 10 14.522 2.364 -8.494
89 HB2 LYS 10 2HB LYS 10 16.123 1.844 -6.705
90 HB3 LYS 10 3HB LYS 10 14.550 2.287 -6.055
91 HG2 LYS 10 2HG LYS 10 15.062 0.482 -4.753
92 HG3 LYS 10 3HG LYS 10 14.157 -0.300 -6.052
93 HD2 LYS 10 2HD LYS 10 15.915 -1.612 -6.416
94 HD3 LYS 10 3HD LYS 10 16.829 -0.187 -6.916
95 HE2 LYS 10 2HE LYS 10 17.815 0.068 -4.837
96 HE3 LYS 10 3HE LYS 10 16.546 -0.837 -4.012
97 HZ1 LYS 10 3HZ LYS 10 18.574 -2.120 -4.119
98 HZ2 LYS 10 1HZ LYS 10 18.619 -1.981 -5.804
99 HZ3 LYS 10 2HZ LYS 10 17.381 -2.861 -5.061
100 H GLU 11 H GLU 11 14.124 -1.100 -8.157
101 HA GLU 11 HA GLU 11 16.622 -1.784 -9.371
102 HB2 GLU 11 2HB GLU 11 14.200 -3.245 -8.466
103 HB3 GLU 11 3HB GLU 11 15.186 -4.028 -9.692
104 HG2 GLU 11 2HG GLU 11 17.090 -3.268 -7.933
105 HG3 GLU 11 3HG GLU 11 15.729 -3.551 -6.849
106 H MET 12 H MET 12 13.313 -1.371 -10.504
107 HA MET 12 HA MET 12 13.833 -2.337 -13.145
108 HB2 MET 12 2HB MET 12 11.558 -0.896 -11.828
109 HB3 MET 12 3HB MET 12 11.600 -1.052 -13.579
110 HG2 MET 12 2HG MET 12 12.134 -3.592 -12.387
111 HG3 MET 12 3HG MET 12 10.668 -2.908 -11.690
112 HE1 MET 12 3HE MET 12 8.547 -4.839 -14.003
113 HE2 MET 12 1HE MET 12 9.317 -4.747 -12.419
114 HE3 MET 12 2HE MET 12 8.276 -3.435 -12.970
115 H MET 13 H MET 13 14.191 0.694 -11.522
116 HA MET 13 HA MET 13 14.290 2.271 -13.934
117 HB2 MET 13 2HB MET 13 13.978 2.806 -11.196
118 HB3 MET 13 3HB MET 13 15.507 3.549 -11.648
119 HG2 MET 13 2HG MET 13 13.559 4.135 -13.646
120 HG3 MET 13 3HG MET 13 12.901 4.525 -12.059
121 HE1 MET 13 3HE MET 13 13.841 8.026 -13.088
122 HE2 MET 13 1HE MET 13 12.636 6.743 -13.203
123 HE3 MET 13 2HE MET 13 13.150 7.331 -11.622
124 H GLU 14 H GLU 14 16.585 0.810 -11.698
125 HA GLU 14 HA GLU 14 18.891 2.024 -12.874
126 HB2 GLU 14 2HB GLU 14 18.340 0.053 -10.752
127 HB3 GLU 14 3HB GLU 14 19.870 -0.169 -11.590
128 HG2 GLU 14 2HG GLU 14 20.623 1.989 -10.980
129 HG3 GLU 14 3HG GLU 14 19.023 2.458 -10.407
130 H GLU 15 H GLU 15 17.042 -0.868 -13.451
131 HA GLU 15 HA GLU 15 19.037 -2.161 -15.055
132 HB2 GLU 15 2HB GLU 15 17.561 -3.909 -15.239
133 HB3 GLU 15 3HB GLU 15 16.960 -3.155 -13.769
134 HG2 GLU 15 2HG GLU 15 15.362 -1.872 -15.291
135 HG3 GLU 15 3HG GLU 15 15.811 -3.041 -16.532
136 H ALA 16 H ALA 16 16.393 0.044 -15.615
137 HA ALA 16 HA ALA 16 16.652 -0.230 -18.513
138 HB1 ALA 16 1HB ALA 16 14.684 1.183 -18.652
139 HB2 ALA 16 2HB ALA 16 14.398 -0.154 -17.538
140 HB3 ALA 16 3HB ALA 16 14.735 1.460 -16.911
141 H ASN 17 H ASN 17 17.965 1.591 -16.021
142 HA ASN 17 HA ASN 17 18.300 4.036 -17.542
143 HB2 ASN 17 2HB ASN 17 18.839 3.149 -14.768
144 HB3 ASN 17 3HB ASN 17 19.931 4.371 -15.413
145 HD21 ASN 17 1HD2 ASN 17 16.616 4.095 -16.429
146 HD22 ASN 17 2HD2 ASN 17 16.056 5.546 -15.677
147 H GLY 18 H GLY 18 19.822 1.053 -17.384
148 HA2 GLY 18 2HA GLY 18 21.592 0.778 -19.102
149 HA3 GLY 18 3HA GLY 18 22.332 2.220 -18.423
150 H GLN 19 H GLN 19 20.920 -0.562 -16.741
151 HA GLN 19 HA GLN 19 22.783 -0.775 -14.749
152 HB2 GLN 19 2HB GLN 19 20.895 -2.114 -14.483
153 HB3 GLN 19 3HB GLN 19 21.039 -2.808 -16.092
154 HG2 GLN 19 2HG GLN 19 21.565 -4.426 -14.342
155 HG3 GLN 19 3HG GLN 19 22.945 -4.119 -15.396
156 HE21 GLN 19 1HE2 GLN 19 21.653 -2.286 -12.659
157 HE22 GLN 19 2HE2 GLN 19 23.099 -2.339 -11.715
158 H ILE 20 H ILE 20 23.112 -1.696 -18.067
159 HA ILE 20 HA ILE 20 25.782 -2.796 -17.473
160 HB ILE 20 HB ILE 20 24.455 -3.519 -20.030
161 HG12 ILE 20 2HG1 ILE 20 23.558 -5.575 -18.621
162 HG13 ILE 20 3HG1 ILE 20 23.531 -4.386 -17.324
163 HG21 ILE 20 1HG2 ILE 20 26.405 -4.624 -20.030
164 HG22 ILE 20 2HG2 ILE 20 26.591 -4.493 -18.282
165 HG23 ILE 20 3HG2 ILE 20 25.577 -5.762 -18.967
166 HD11 ILE 20 3HD1 ILE 20 21.836 -4.622 -19.721
167 HD12 ILE 20 1HD1 ILE 20 21.443 -4.058 -18.097
168 HD13 ILE 20 2HD1 ILE 20 22.276 -2.988 -19.225
169 H ALA 21 H ALA 21 24.041 -0.334 -18.957
170 HA ALA 21 HA ALA 21 26.229 0.276 -20.826
171 HB1 ALA 21 1HB ALA 21 23.347 0.593 -20.952
172 HB2 ALA 21 2HB ALA 21 24.205 2.084 -21.341
173 HB3 ALA 21 3HB ALA 21 24.545 0.609 -22.246
174 HA PRO 22 HA PRO 22 27.549 3.820 -18.601
175 HB2 PRO 22 2HB PRO 22 27.879 5.694 -20.537
176 HB3 PRO 22 3HB PRO 22 28.957 4.305 -20.350
177 HG2 PRO 22 2HG PRO 22 26.676 4.691 -22.250
178 HG3 PRO 22 3HG PRO 22 28.280 4.000 -22.554
179 HD2 PRO 22 2HD PRO 22 26.081 2.466 -22.180
180 HD3 PRO 22 3HD PRO 22 27.702 1.949 -21.674
181 H GLU 23 H GLU 23 24.545 3.787 -20.093
182 HA GLU 23 HA GLU 23 23.706 6.464 -19.785
183 HB2 GLU 23 2HB GLU 23 22.317 3.836 -20.096
184 HB3 GLU 23 3HB GLU 23 21.375 5.240 -19.617
185 HG2 GLU 23 2HG GLU 23 21.526 6.208 -21.644
186 HG3 GLU 23 3HG GLU 23 23.164 5.620 -21.924
187 H ASN 24 H ASN 24 23.884 3.756 -17.582
188 HA ASN 24 HA ASN 24 22.184 4.557 -15.558
189 HB2 ASN 24 2HB ASN 24 24.118 2.580 -15.887
190 HB3 ASN 24 3HB ASN 24 24.677 3.501 -14.494
191 HD21 ASN 24 1HD2 ASN 24 21.631 2.221 -15.794
192 HD22 ASN 24 2HD2 ASN 24 21.048 1.612 -14.286
193 H GLY 25 H GLY 25 22.080 6.614 -14.865
194 HA2 GLY 25 2HA GLY 25 23.063 8.018 -13.078
195 HA3 GLY 25 3HA GLY 25 24.597 7.843 -13.919
196 H THR 26 H THR 26 22.551 8.072 -16.378
197 HA THR 26 HA THR 26 23.052 10.922 -16.700
198 HB THR 26 HB THR 26 23.543 9.244 -18.529
199 HG1 THR 26 HG1 THR 26 23.233 10.838 -19.927
200 HG21 THR 26 3HG2 THR 26 21.144 8.201 -18.067
201 HG22 THR 26 1HG2 THR 26 21.891 8.140 -19.662
202 HG23 THR 26 2HG2 THR 26 20.675 9.366 -19.304
203 H GLN 27 H GLN 27 20.384 8.696 -16.292
204 HA GLN 27 HA GLN 27 18.505 10.958 -16.444
205 HB2 GLN 27 2HB GLN 27 18.125 8.011 -16.940
206 HB3 GLN 27 3HB GLN 27 16.765 9.094 -16.669
207 HG2 GLN 27 2HG GLN 27 18.111 10.434 -18.596
208 HG3 GLN 27 3HG GLN 27 18.480 8.764 -19.023
209 HE21 GLN 27 1HE2 GLN 27 16.239 11.250 -19.234
210 HE22 GLN 27 2HE2 GLN 27 14.907 10.344 -19.859
211 H THR 28 H THR 28 20.032 8.811 -14.346
212 HA THR 28 HA THR 28 18.215 8.132 -12.419
213 HB THR 28 HB THR 28 21.015 8.242 -12.564
214 HG1 THR 28 HG1 THR 28 20.165 6.433 -11.739
215 HG21 THR 28 3HG2 THR 28 21.711 9.116 -10.425
216 HG22 THR 28 1HG2 THR 28 20.048 9.528 -10.008
217 HG23 THR 28 2HG2 THR 28 20.869 10.387 -11.312
218 HA PRO 29 HA PRO 29 16.654 11.774 -10.528
219 HB2 PRO 29 2HB PRO 29 16.396 10.973 -7.947
220 HB3 PRO 29 3HB PRO 29 15.335 10.402 -9.240
221 HG2 PRO 29 2HG PRO 29 17.709 9.059 -8.007
222 HG3 PRO 29 3HG PRO 29 16.135 8.369 -8.447
223 HD2 PRO 29 2HD PRO 29 18.338 8.076 -9.994
224 HD3 PRO 29 3HD PRO 29 16.701 8.176 -10.673
225 H SER 30 H SER 30 19.027 12.563 -10.988
226 HA SER 30 HA SER 30 20.895 12.749 -8.907
227 HB2 SER 30 2HB SER 30 21.132 15.089 -10.474
228 HB3 SER 30 3HB SER 30 22.062 13.598 -10.620
229 HG SER 30 HG SER 30 20.178 14.596 -12.267
230 HA PRO 31 HA PRO 31 19.309 15.769 -6.147
231 HB2 PRO 31 2HB PRO 31 21.582 17.040 -5.379
232 HB3 PRO 31 3HB PRO 31 21.175 15.401 -4.857
233 HG2 PRO 31 2HG PRO 31 23.020 16.290 -7.040
234 HG3 PRO 31 3HG PRO 31 23.250 15.012 -5.833
235 HD2 PRO 31 2HD PRO 31 22.499 14.490 -8.381
236 HD3 PRO 31 3HD PRO 31 21.969 13.498 -7.008
237 HA PRO 32 HA PRO 32 18.731 19.690 -8.051
238 HB2 PRO 32 2HB PRO 32 18.669 21.384 -5.931
239 HB3 PRO 32 3HB PRO 32 17.364 20.247 -6.290
240 HG2 PRO 32 2HG PRO 32 19.597 20.005 -4.310
241 HG3 PRO 32 3HG PRO 32 17.882 19.598 -4.118
242 HD2 PRO 32 2HD PRO 32 19.777 17.727 -4.608
243 HD3 PRO 32 3HD PRO 32 18.110 17.576 -5.201
244 H SER 33 H SER 33 21.521 19.197 -6.064
245 HA SER 33 HA SER 33 22.791 21.695 -6.498
246 HB2 SER 33 2HB SER 33 23.517 20.306 -4.664
247 HB3 SER 33 3HB SER 33 23.912 18.983 -5.761
248 HG SER 33 HG SER 33 25.194 21.506 -5.569
249 H GLU 34 H GLU 34 22.635 18.712 -8.311
250 HA GLU 34 HA GLU 34 24.688 19.592 -10.177
251 HB2 GLU 34 2HB GLU 34 24.591 17.223 -9.496
252 HB3 GLU 34 3HB GLU 34 22.980 17.097 -10.190
253 HG2 GLU 34 2HG GLU 34 23.752 17.153 -12.349
254 HG3 GLU 34 3HG GLU 34 25.231 18.008 -11.912
255 H LYS 35 H LYS 35 21.236 19.455 -9.896
256 HA LYS 35 HA LYS 35 19.538 20.165 -11.234
257 HB2 LYS 35 2HB LYS 35 21.825 21.897 -11.895
258 HB3 LYS 35 3HB LYS 35 20.572 21.840 -13.128
259 HG2 LYS 35 2HG LYS 35 19.016 22.849 -11.796
260 HG3 LYS 35 3HG LYS 35 19.755 22.268 -10.302
261 HD2 LYS 35 2HD LYS 35 20.826 24.201 -10.071
262 HD3 LYS 35 3HD LYS 35 21.624 23.955 -11.626
263 HE2 LYS 35 2HE LYS 35 19.387 24.812 -12.621
264 HE3 LYS 35 3HE LYS 35 19.106 25.451 -11.003
265 HZ1 LYS 35 3HZ LYS 35 20.232 27.210 -11.763
266 HZ2 LYS 35 1HZ LYS 35 20.924 26.359 -13.051
267 HZ3 LYS 35 2HZ LYS 35 21.616 26.271 -11.510
Start of MODEL 17
1 H1 LYS 1 H LYS 1 1.390 -0.368 0.217
2 HA LYS 1 HA LYS 1 2.599 -1.695 -1.518
3 HB2 LYS 1 2HB LYS 1 0.065 -1.037 -2.849
4 HB3 LYS 1 3HB LYS 1 1.486 -0.807 -3.860
5 HG2 LYS 1 2HG LYS 1 1.926 -3.262 -2.685
6 HG3 LYS 1 3HG LYS 1 0.189 -3.254 -2.997
7 HD2 LYS 1 2HD LYS 1 2.382 -2.730 -5.003
8 HD3 LYS 1 3HD LYS 1 1.368 -4.171 -4.905
9 HE2 LYS 1 2HE LYS 1 0.487 -1.363 -5.560
10 HE3 LYS 1 3HE LYS 1 0.540 -2.743 -6.656
11 HZ1 LYS 1 3HZ LYS 1 -1.633 -2.822 -6.085
12 HZ2 LYS 1 1HZ LYS 1 -1.398 -2.097 -4.574
13 HZ3 LYS 1 2HZ LYS 1 -1.031 -3.733 -4.793
14 H VAL 2 H VAL 2 4.065 -0.123 -0.702
15 HA VAL 2 HA VAL 2 4.613 1.986 -2.606
16 HB VAL 2 HB VAL 2 3.981 2.607 0.277
17 HG11 VAL 2 1HG1 VAL 2 5.406 4.292 -1.775
18 HG12 VAL 2 2HG1 VAL 2 4.715 4.928 -0.281
19 HG13 VAL 2 3HG1 VAL 2 6.026 3.748 -0.216
20 HG21 VAL 2 3HG2 VAL 2 2.051 2.613 -1.174
21 HG22 VAL 2 1HG2 VAL 2 2.464 4.273 -0.744
22 HG23 VAL 2 2HG2 VAL 2 2.886 3.644 -2.336
23 H GLY 3 H GLY 3 5.473 0.365 0.415
24 HA2 GLY 3 2HA GLY 3 8.182 1.262 0.432
25 HA3 GLY 3 3HA GLY 3 7.517 -0.051 1.392
26 H PHE 4 H PHE 4 6.567 -1.048 -1.441
27 HA PHE 4 HA PHE 4 8.850 -2.793 -1.791
28 HB2 PHE 4 2HB PHE 4 6.406 -2.815 -3.537
29 HB3 PHE 4 3HB PHE 4 7.451 -4.157 -3.083
30 HD1 PHE 4 HD1 PHE 4 4.879 -1.824 -1.811
31 HD2 PHE 4 HD2 PHE 4 6.984 -5.472 -1.197
32 HE1 PHE 4 HE1 PHE 4 3.325 -2.412 0.004
33 HE2 PHE 4 HE2 PHE 4 5.434 -6.066 0.618
34 HZ PHE 4 HZ PHE 4 3.601 -4.535 1.221
35 H PHE 5 H PHE 5 7.130 -0.319 -3.640
36 HA PHE 5 HA PHE 5 8.665 -0.582 -6.005
37 HB2 PHE 5 2HB PHE 5 7.226 1.897 -5.048
38 HB3 PHE 5 3HB PHE 5 7.642 1.481 -6.707
39 HD1 PHE 5 HD1 PHE 5 5.509 0.538 -3.841
40 HD2 PHE 5 HD2 PHE 5 6.218 0.148 -8.020
41 HE1 PHE 5 HE1 PHE 5 3.321 -0.555 -4.107
42 HE2 PHE 5 HE2 PHE 5 4.031 -0.944 -8.293
43 HZ PHE 5 HZ PHE 5 2.578 -1.297 -6.335
44 H LYS 6 H LYS 6 9.068 1.269 -3.059
45 HA LYS 6 HA LYS 6 10.974 3.120 -3.845
46 HB2 LYS 6 2HB LYS 6 9.988 2.038 -1.367
47 HB3 LYS 6 3HB LYS 6 11.733 2.239 -1.276
48 HG2 LYS 6 2HG LYS 6 11.600 4.475 -1.236
49 HG3 LYS 6 3HG LYS 6 10.302 4.521 -2.432
50 HD2 LYS 6 2HD LYS 6 9.064 5.179 -0.661
51 HD3 LYS 6 3HD LYS 6 8.986 3.445 -0.338
52 HE2 LYS 6 2HE LYS 6 10.650 3.567 1.310
53 HE3 LYS 6 3HE LYS 6 11.189 5.156 0.770
54 HZ1 LYS 6 3HZ LYS 6 9.883 5.216 2.841
55 HZ2 LYS 6 1HZ LYS 6 8.543 4.613 2.002
56 HZ3 LYS 6 2HZ LYS 6 9.180 6.128 1.602
57 H ARG 7 H ARG 7 11.320 -0.296 -3.170
58 HA ARG 7 HA ARG 7 14.210 -0.092 -3.686
59 HB2 ARG 7 2HB ARG 7 14.411 -2.283 -2.605
60 HB3 ARG 7 3HB ARG 7 13.653 -1.110 -1.535
61 HG2 ARG 7 2HG ARG 7 11.435 -2.110 -2.465
62 HG3 ARG 7 3HG ARG 7 12.462 -3.478 -2.897
63 HD2 ARG 7 2HD ARG 7 13.257 -3.031 -0.349
64 HD3 ARG 7 3HD ARG 7 11.569 -2.533 -0.257
65 HE ARG 7 HE ARG 7 11.834 -5.040 -1.568
66 HH11 ARG 7 1HH1 ARG 7 11.872 -3.533 1.570
67 HH12 ARG 7 2HH1 ARG 7 11.361 -4.961 2.407
68 HH21 ARG 7 1HH2 ARG 7 11.160 -6.927 -0.478
69 HH22 ARG 7 2HH2 ARG 7 10.956 -6.891 1.241
70 H GLN 8 H GLN 8 11.231 -1.231 -4.923
71 HA GLN 8 HA GLN 8 12.469 -3.144 -6.731
72 HB2 GLN 8 2HB GLN 8 9.619 -2.314 -6.224
73 HB3 GLN 8 3HB GLN 8 10.061 -3.354 -7.571
74 HG2 GLN 8 2HG GLN 8 11.227 -4.336 -5.141
75 HG3 GLN 8 3HG GLN 8 9.491 -4.105 -4.940
76 HE21 GLN 8 1HE2 GLN 8 11.753 -5.351 -7.378
77 HE22 GLN 8 2HE2 GLN 8 10.819 -6.748 -7.777
78 H TYR 9 H TYR 9 10.715 -0.066 -6.900
79 HA TYR 9 HA TYR 9 10.829 0.192 -9.711
80 HB2 TYR 9 2HB TYR 9 9.247 1.470 -8.347
81 HB3 TYR 9 3HB TYR 9 10.580 2.332 -7.586
82 HD1 TYR 9 HD2 TYR 9 12.147 3.655 -9.205
83 HD2 TYR 9 HD1 TYR 9 8.208 2.393 -10.204
84 HE1 TYR 9 HE2 TYR 9 12.051 5.367 -10.968
85 HE2 TYR 9 HE1 TYR 9 8.102 4.101 -11.970
86 HH TYR 9 HH TYR 9 9.244 5.640 -13.115
87 H LYS 10 H LYS 10 12.956 1.286 -7.114
88 HA LYS 10 HA LYS 10 14.674 2.865 -8.693
89 HB2 LYS 10 2HB LYS 10 16.124 2.910 -6.830
90 HB3 LYS 10 3HB LYS 10 14.505 2.799 -6.153
91 HG2 LYS 10 2HG LYS 10 14.826 0.372 -5.860
92 HG3 LYS 10 3HG LYS 10 16.477 0.544 -6.460
93 HD2 LYS 10 2HD LYS 10 15.511 2.185 -4.146
94 HD3 LYS 10 3HD LYS 10 16.063 0.526 -3.904
95 HE2 LYS 10 2HE LYS 10 18.235 1.028 -4.436
96 HE3 LYS 10 3HE LYS 10 17.782 2.376 -5.478
97 HZ1 LYS 10 3HZ LYS 10 17.056 2.833 -2.755
98 HZ2 LYS 10 1HZ LYS 10 17.975 3.796 -3.799
99 HZ3 LYS 10 2HZ LYS 10 18.717 2.557 -2.920
100 H GLU 11 H GLU 11 14.723 -0.562 -7.834
101 HA GLU 11 HA GLU 11 17.231 -1.059 -9.138
102 HB2 GLU 11 2HB GLU 11 16.843 -3.381 -8.624
103 HB3 GLU 11 3HB GLU 11 16.401 -2.413 -7.225
104 HG2 GLU 11 2HG GLU 11 14.090 -2.691 -7.645
105 HG3 GLU 11 3HG GLU 11 14.395 -3.374 -9.242
106 H MET 12 H MET 12 13.895 -1.026 -10.067
107 HA MET 12 HA MET 12 14.311 -2.551 -12.486
108 HB2 MET 12 2HB MET 12 11.983 -1.167 -11.216
109 HB3 MET 12 3HB MET 12 11.906 -1.583 -12.923
110 HG2 MET 12 2HG MET 12 12.840 -3.834 -11.425
111 HG3 MET 12 3HG MET 12 11.349 -3.218 -10.716
112 HE1 MET 12 3HE MET 12 10.712 -5.757 -11.277
113 HE2 MET 12 1HE MET 12 9.284 -4.730 -11.410
114 HE3 MET 12 2HE MET 12 9.602 -5.961 -12.632
115 H MET 13 H MET 13 14.496 0.737 -11.493
116 HA MET 13 HA MET 13 14.207 1.812 -14.167
117 HB2 MET 13 2HB MET 13 13.540 2.960 -11.949
118 HB3 MET 13 3HB MET 13 15.252 3.330 -11.791
119 HG2 MET 13 2HG MET 13 14.488 5.229 -12.800
120 HG3 MET 13 3HG MET 13 14.974 4.280 -14.203
121 HE1 MET 13 3HE MET 13 12.880 4.535 -16.410
122 HE2 MET 13 1HE MET 13 12.193 6.038 -15.794
123 HE3 MET 13 2HE MET 13 13.915 5.713 -15.602
124 H GLU 14 H GLU 14 16.785 1.084 -11.885
125 HA GLU 14 HA GLU 14 18.846 2.289 -13.473
126 HB2 GLU 14 2HB GLU 14 20.376 1.447 -11.856
127 HB3 GLU 14 3HB GLU 14 18.943 1.961 -10.976
128 HG2 GLU 14 2HG GLU 14 18.187 -0.357 -10.848
129 HG3 GLU 14 3HG GLU 14 19.623 -0.873 -11.730
130 H GLU 15 H GLU 15 17.318 -0.818 -13.311
131 HA GLU 15 HA GLU 15 19.392 -2.223 -14.722
132 HB2 GLU 15 2HB GLU 15 17.971 -4.117 -14.634
133 HB3 GLU 15 3HB GLU 15 17.743 -3.270 -13.110
134 HG2 GLU 15 2HG GLU 15 15.673 -2.309 -13.920
135 HG3 GLU 15 3HG GLU 15 15.910 -3.076 -15.489
136 H ALA 16 H ALA 16 16.482 -0.489 -15.549
137 HA ALA 16 HA ALA 16 16.627 -1.376 -18.329
138 HB1 ALA 16 1HB ALA 16 14.609 0.430 -17.001
139 HB2 ALA 16 2HB ALA 16 14.502 -0.249 -18.625
140 HB3 ALA 16 3HB ALA 16 14.432 -1.311 -17.219
141 H ASN 17 H ASN 17 17.804 1.105 -16.384
142 HA ASN 17 HA ASN 17 17.809 3.138 -18.456
143 HB2 ASN 17 2HB ASN 17 18.507 3.020 -15.574
144 HB3 ASN 17 3HB ASN 17 19.398 4.184 -16.549
145 HD21 ASN 17 1HD2 ASN 17 16.143 3.236 -17.310
146 HD22 ASN 17 2HD2 ASN 17 15.393 4.733 -16.885
147 H GLY 18 H GLY 18 19.640 0.455 -17.743
148 HA2 GLY 18 2HA GLY 18 21.422 -0.003 -19.392
149 HA3 GLY 18 3HA GLY 18 22.001 1.627 -19.080
150 H GLN 19 H GLN 19 20.963 -0.922 -16.833
151 HA GLN 19 HA GLN 19 22.795 -0.469 -14.858
152 HB2 GLN 19 2HB GLN 19 21.227 -2.023 -14.230
153 HB3 GLN 19 3HB GLN 19 21.310 -2.886 -15.760
154 HG2 GLN 19 2HG GLN 19 23.181 -4.095 -15.127
155 HG3 GLN 19 3HG GLN 19 23.612 -2.951 -13.857
156 HE21 GLN 19 1HE2 GLN 19 22.776 -5.961 -14.176
157 HE22 GLN 19 2HE2 GLN 19 21.751 -6.198 -12.806
158 H ILE 20 H ILE 20 23.345 -1.901 -17.952
159 HA ILE 20 HA ILE 20 26.116 -2.528 -17.163
160 HB ILE 20 HB ILE 20 24.984 -3.707 -19.645
161 HG12 ILE 20 2HG1 ILE 20 24.316 -5.685 -18.007
162 HG13 ILE 20 3HG1 ILE 20 24.082 -4.358 -16.874
163 HG21 ILE 20 1HG2 ILE 20 27.170 -4.182 -17.760
164 HG22 ILE 20 2HG2 ILE 20 26.346 -5.645 -18.296
165 HG23 ILE 20 3HG2 ILE 20 27.054 -4.549 -19.481
166 HD11 ILE 20 3HD1 ILE 20 22.742 -3.404 -18.998
167 HD12 ILE 20 1HD1 ILE 20 22.512 -5.136 -19.232
168 HD13 ILE 20 2HD1 ILE 20 22.006 -4.375 -17.723
169 H ALA 21 H ALA 21 24.131 -0.541 -19.039
170 HA ALA 21 HA ALA 21 26.352 0.166 -20.836
171 HB1 ALA 21 1HB ALA 21 23.616 -0.268 -21.345
172 HB2 ALA 21 2HB ALA 21 23.912 1.456 -21.573
173 HB3 ALA 21 3HB ALA 21 24.860 0.271 -22.473
174 HA PRO 22 HA PRO 22 26.868 4.132 -19.033
175 HB2 PRO 22 2HB PRO 22 27.193 5.742 -21.195
176 HB3 PRO 22 3HB PRO 22 28.417 4.581 -20.669
177 HG2 PRO 22 2HG PRO 22 26.382 4.330 -22.850
178 HG3 PRO 22 3HG PRO 22 28.093 3.864 -22.858
179 HD2 PRO 22 2HD PRO 22 26.097 2.071 -22.491
180 HD3 PRO 22 3HD PRO 22 27.692 1.894 -21.731
181 H GLU 23 H GLU 23 24.127 3.418 -20.834
182 HA GLU 23 HA GLU 23 22.857 5.872 -21.173
183 HB2 GLU 23 2HB GLU 23 21.911 3.063 -20.812
184 HB3 GLU 23 3HB GLU 23 20.730 4.363 -20.728
185 HG2 GLU 23 2HG GLU 23 22.569 4.460 -23.021
186 HG3 GLU 23 3HG GLU 23 21.438 3.109 -22.998
187 H ASN 24 H ASN 24 23.247 3.887 -18.315
188 HA ASN 24 HA ASN 24 21.324 4.884 -16.626
189 HB2 ASN 24 2HB ASN 24 24.012 3.710 -16.273
190 HB3 ASN 24 3HB ASN 24 23.412 4.644 -14.906
191 HD21 ASN 24 1HD2 ASN 24 20.716 4.112 -15.064
192 HD22 ASN 24 2HD2 ASN 24 20.445 2.437 -14.736
193 H GLY 25 H GLY 25 20.805 6.996 -16.554
194 HA2 GLY 25 2HA GLY 25 21.348 9.000 -15.228
195 HA3 GLY 25 3HA GLY 25 22.977 8.882 -15.875
196 H THR 26 H THR 26 20.068 8.380 -17.771
197 HA THR 26 HA THR 26 20.874 10.578 -19.511
198 HB THR 26 HB THR 26 18.732 8.476 -19.889
199 HG1 THR 26 HG1 THR 26 21.349 8.757 -20.989
200 HG21 THR 26 3HG2 THR 26 19.499 9.567 -22.351
201 HG22 THR 26 1HG2 THR 26 19.258 10.946 -21.279
202 HG23 THR 26 2HG2 THR 26 17.957 9.780 -21.523
203 H GLN 27 H GLN 27 17.678 9.406 -18.450
204 HA GLN 27 HA GLN 27 16.893 12.219 -18.055
205 HB2 GLN 27 2HB GLN 27 15.811 10.902 -19.971
206 HB3 GLN 27 3HB GLN 27 14.982 9.989 -18.718
207 HG2 GLN 27 2HG GLN 27 13.432 11.553 -18.589
208 HG3 GLN 27 3HG GLN 27 14.654 12.742 -18.144
209 HE21 GLN 27 1HE2 GLN 27 15.543 14.064 -19.737
210 HE22 GLN 27 2HE2 GLN 27 14.790 14.270 -21.278
211 H THR 28 H THR 28 17.610 9.441 -16.460
212 HA THR 28 HA THR 28 15.658 8.924 -14.619
213 HB THR 28 HB THR 28 17.562 7.568 -14.469
214 HG1 THR 28 HG1 THR 28 18.103 9.161 -12.215
215 HG21 THR 28 3HG2 THR 28 19.019 10.134 -14.595
216 HG22 THR 28 1HG2 THR 28 19.409 8.573 -15.316
217 HG23 THR 28 2HG2 THR 28 19.759 8.871 -13.613
218 HA PRO 29 HA PRO 29 15.042 12.542 -12.196
219 HB2 PRO 29 2HB PRO 29 14.213 11.413 -9.871
220 HB3 PRO 29 3HB PRO 29 13.205 11.474 -11.322
221 HG2 PRO 29 2HG PRO 29 14.861 9.217 -10.259
222 HG3 PRO 29 3HG PRO 29 13.222 9.181 -10.936
223 HD2 PRO 29 2HD PRO 29 15.406 8.463 -12.367
224 HD3 PRO 29 3HD PRO 29 13.985 9.223 -13.111
225 H SER 30 H SER 30 17.608 12.491 -12.338
226 HA SER 30 HA SER 30 19.040 11.740 -10.007
227 HB2 SER 30 2HB SER 30 20.900 12.483 -11.112
228 HB3 SER 30 3HB SER 30 19.811 12.388 -12.495
229 HG SER 30 HG SER 30 19.368 14.622 -12.180
230 HA PRO 31 HA PRO 31 18.326 15.072 -7.243
231 HB2 PRO 31 2HB PRO 31 20.745 15.292 -6.031
232 HB3 PRO 31 3HB PRO 31 19.639 13.946 -5.731
233 HG2 PRO 31 2HG PRO 31 22.034 14.065 -7.523
234 HG3 PRO 31 3HG PRO 31 21.525 12.774 -6.419
235 HD2 PRO 31 2HD PRO 31 21.083 12.667 -9.088
236 HD3 PRO 31 3HD PRO 31 19.975 11.940 -7.907
237 HA PRO 32 HA PRO 32 19.685 18.938 -8.837
238 HB2 PRO 32 2HB PRO 32 19.933 20.457 -6.601
239 HB3 PRO 32 3HB PRO 32 18.368 19.957 -7.254
240 HG2 PRO 32 2HG PRO 32 19.943 18.779 -4.997
241 HG3 PRO 32 3HG PRO 32 18.202 19.098 -5.100
242 HD2 PRO 32 2HD PRO 32 19.255 16.633 -5.476
243 HD3 PRO 32 3HD PRO 32 17.795 17.186 -6.321
244 H SER 33 H SER 33 21.403 20.646 -8.666
245 HA SER 33 HA SER 33 23.952 19.501 -8.767
246 HB2 SER 33 2HB SER 33 24.764 21.888 -8.781
247 HB3 SER 33 3HB SER 33 23.522 21.529 -9.980
248 HG SER 33 HG SER 33 23.038 23.458 -8.907
249 H GLU 34 H GLU 34 22.247 21.124 -6.162
250 HA GLU 34 HA GLU 34 24.428 21.476 -4.418
251 HB2 GLU 34 2HB GLU 34 22.743 21.709 -2.652
252 HB3 GLU 34 3HB GLU 34 22.297 22.621 -4.087
253 HG2 GLU 34 2HG GLU 34 20.302 21.651 -3.525
254 HG3 GLU 34 3HG GLU 34 20.937 20.489 -4.690
255 H LYS 35 H LYS 35 22.524 18.703 -5.236
256 HA LYS 35 HA LYS 35 22.528 16.537 -4.530
257 HB2 LYS 35 2HB LYS 35 25.342 17.453 -4.359
258 HB3 LYS 35 3HB LYS 35 24.964 15.942 -3.543
259 HG2 LYS 35 2HG LYS 35 24.142 14.986 -5.597
260 HG3 LYS 35 3HG LYS 35 24.369 16.522 -6.437
261 HD2 LYS 35 2HD LYS 35 26.657 15.131 -5.081
262 HD3 LYS 35 3HD LYS 35 26.165 14.702 -6.721
263 HE2 LYS 35 2HE LYS 35 26.364 17.183 -7.255
264 HE3 LYS 35 3HE LYS 35 27.193 17.340 -5.707
265 HZ1 LYS 35 3HZ LYS 35 28.338 16.676 -8.099
266 HZ2 LYS 35 1HZ LYS 35 28.252 15.202 -7.272
267 HZ3 LYS 35 2HZ LYS 35 29.050 16.519 -6.573
Start of MODEL 18
1 H1 LYS 1 H LYS 1 1.701 0.205 -0.040
2 HA LYS 1 HA LYS 1 2.445 -1.277 -2.445
3 HB2 LYS 1 2HB LYS 1 0.766 0.808 -3.340
4 HB3 LYS 1 3HB LYS 1 0.498 -0.925 -3.475
5 HG2 LYS 1 2HG LYS 1 -0.234 0.570 -0.985
6 HG3 LYS 1 3HG LYS 1 -1.318 0.505 -2.377
7 HD2 LYS 1 2HD LYS 1 -0.194 -2.076 -1.485
8 HD3 LYS 1 3HD LYS 1 -1.336 -1.305 -0.381
9 HE2 LYS 1 2HE LYS 1 -2.478 -1.051 -2.915
10 HE3 LYS 1 3HE LYS 1 -1.822 -2.687 -2.870
11 HZ1 LYS 1 3HZ LYS 1 -3.388 -3.335 -1.448
12 HZ2 LYS 1 1HZ LYS 1 -4.203 -1.902 -1.826
13 HZ3 LYS 1 2HZ LYS 1 -3.205 -1.973 -0.463
14 H VAL 2 H VAL 2 4.080 0.210 -0.733
15 HA VAL 2 HA VAL 2 4.966 2.298 -2.579
16 HB VAL 2 HB VAL 2 4.423 2.730 0.353
17 HG11 VAL 2 1HG1 VAL 2 5.529 4.955 0.019
18 HG12 VAL 2 2HG1 VAL 2 6.627 3.574 0.022
19 HG13 VAL 2 3HG1 VAL 2 6.170 4.336 -1.502
20 HG21 VAL 2 3HG2 VAL 2 2.979 3.322 -1.963
21 HG22 VAL 2 1HG2 VAL 2 2.684 3.934 -0.335
22 HG23 VAL 2 2HG2 VAL 2 3.691 4.853 -1.454
23 H GLY 3 H GLY 3 5.633 0.236 0.200
24 HA2 GLY 3 2HA GLY 3 8.448 0.776 0.231
25 HA3 GLY 3 3HA GLY 3 7.623 -0.506 1.105
26 H PHE 4 H PHE 4 6.485 -1.107 -1.776
27 HA PHE 4 HA PHE 4 8.499 -3.114 -2.341
28 HB2 PHE 4 2HB PHE 4 6.018 -2.682 -3.979
29 HB3 PHE 4 3HB PHE 4 6.890 -4.180 -3.666
30 HD1 PHE 4 HD1 PHE 4 4.658 -1.654 -2.158
31 HD2 PHE 4 HD2 PHE 4 6.346 -5.548 -1.829
32 HE1 PHE 4 HE1 PHE 4 3.098 -2.172 -0.327
33 HE2 PHE 4 HE2 PHE 4 4.787 -6.072 0.001
34 HZ PHE 4 HZ PHE 4 3.160 -4.384 0.754
35 H PHE 5 H PHE 5 7.017 -0.340 -3.970
36 HA PHE 5 HA PHE 5 8.502 -0.610 -6.374
37 HB2 PHE 5 2HB PHE 5 7.277 1.929 -5.290
38 HB3 PHE 5 3HB PHE 5 7.624 1.542 -6.972
39 HD1 PHE 5 HD1 PHE 5 5.460 0.713 -4.100
40 HD2 PHE 5 HD2 PHE 5 6.085 0.340 -8.294
41 HE1 PHE 5 HE1 PHE 5 3.183 -0.184 -4.356
42 HE2 PHE 5 HE2 PHE 5 3.810 -0.557 -8.557
43 HZ PHE 5 HZ PHE 5 2.355 -0.820 -6.587
44 H LYS 6 H LYS 6 9.120 0.911 -3.306
45 HA LYS 6 HA LYS 6 11.122 2.716 -3.990
46 HB2 LYS 6 2HB LYS 6 10.074 1.563 -1.599
47 HB3 LYS 6 3HB LYS 6 11.829 1.489 -1.519
48 HG2 LYS 6 2HG LYS 6 12.046 3.715 -1.310
49 HG3 LYS 6 3HG LYS 6 10.723 4.056 -2.428
50 HD2 LYS 6 2HD LYS 6 9.649 4.706 -0.555
51 HD3 LYS 6 3HD LYS 6 9.357 2.976 -0.359
52 HE2 LYS 6 2HE LYS 6 10.222 3.453 1.698
53 HE3 LYS 6 3HE LYS 6 11.711 3.075 0.834
54 HZ1 LYS 6 3HZ LYS 6 11.874 5.528 0.379
55 HZ2 LYS 6 1HZ LYS 6 12.103 5.068 1.991
56 HZ3 LYS 6 2HZ LYS 6 10.632 5.749 1.507
57 H ARG 7 H ARG 7 11.266 -0.764 -3.518
58 HA ARG 7 HA ARG 7 14.135 -0.709 -4.169
59 HB2 ARG 7 2HB ARG 7 12.491 -2.372 -2.399
60 HB3 ARG 7 3HB ARG 7 13.588 -3.294 -3.419
61 HG2 ARG 7 2HG ARG 7 15.048 -2.934 -1.761
62 HG3 ARG 7 3HG ARG 7 15.246 -1.355 -2.524
63 HD2 ARG 7 2HD ARG 7 13.031 -1.023 -0.909
64 HD3 ARG 7 3HD ARG 7 14.090 -2.055 0.052
65 HE ARG 7 HE ARG 7 15.517 0.137 -1.056
66 HH11 ARG 7 1HH1 ARG 7 13.290 -0.725 1.477
67 HH12 ARG 7 2HH1 ARG 7 13.792 0.553 2.532
68 HH21 ARG 7 1HH2 ARG 7 16.188 1.824 0.325
69 HH22 ARG 7 2HH2 ARG 7 15.440 2.003 1.876
70 H GLN 8 H GLN 8 11.051 -1.534 -5.357
71 HA GLN 8 HA GLN 8 12.058 -3.459 -7.291
72 HB2 GLN 8 2HB GLN 8 9.842 -3.756 -6.169
73 HB3 GLN 8 3HB GLN 8 9.269 -2.329 -7.023
74 HG2 GLN 8 2HG GLN 8 10.162 -3.736 -9.107
75 HG3 GLN 8 3HG GLN 8 9.771 -5.063 -8.015
76 HE21 GLN 8 1HE2 GLN 8 7.588 -5.066 -7.098
77 HE22 GLN 8 2HE2 GLN 8 6.284 -4.479 -8.066
78 H TYR 9 H TYR 9 10.574 -0.236 -7.269
79 HA TYR 9 HA TYR 9 10.654 0.151 -10.064
80 HB2 TYR 9 2HB TYR 9 9.222 1.489 -8.584
81 HB3 TYR 9 3HB TYR 9 10.648 2.208 -7.844
82 HD1 TYR 9 HD1 TYR 9 12.264 3.454 -9.481
83 HD2 TYR 9 HD2 TYR 9 8.194 2.576 -10.355
84 HE1 TYR 9 HE1 TYR 9 12.250 5.237 -11.175
85 HE2 TYR 9 HE2 TYR 9 8.169 4.356 -12.052
86 HH TYR 9 HH TYR 9 9.289 6.105 -12.903
87 H LYS 10 H LYS 10 12.908 0.983 -7.470
88 HA LYS 10 HA LYS 10 14.728 2.442 -9.056
89 HB2 LYS 10 2HB LYS 10 16.143 2.435 -7.199
90 HB3 LYS 10 3HB LYS 10 14.543 2.292 -6.484
91 HG2 LYS 10 2HG LYS 10 14.892 -0.167 -6.352
92 HG3 LYS 10 3HG LYS 10 16.550 0.089 -6.903
93 HD2 LYS 10 2HD LYS 10 15.551 1.638 -4.558
94 HD3 LYS 10 3HD LYS 10 15.982 -0.060 -4.339
95 HE2 LYS 10 2HE LYS 10 18.197 0.317 -4.685
96 HE3 LYS 10 3HE LYS 10 17.908 1.641 -5.812
97 HZ1 LYS 10 3HZ LYS 10 17.845 1.715 -2.855
98 HZ2 LYS 10 1HZ LYS 10 17.158 2.941 -3.798
99 HZ3 LYS 10 2HZ LYS 10 18.815 2.619 -3.905
100 H GLU 11 H GLU 11 14.359 -0.980 -8.392
101 HA GLU 11 HA GLU 11 16.869 -1.731 -9.557
102 HB2 GLU 11 2HB GLU 11 16.419 -3.761 -8.711
103 HB3 GLU 11 3HB GLU 11 15.060 -2.981 -7.914
104 HG2 GLU 11 2HG GLU 11 13.645 -3.573 -9.861
105 HG3 GLU 11 3HG GLU 11 15.010 -4.467 -10.529
106 H MET 12 H MET 12 13.556 -1.427 -10.664
107 HA MET 12 HA MET 12 14.036 -2.712 -13.188
108 HB2 MET 12 2HB MET 12 11.799 -2.562 -13.505
109 HB3 MET 12 3HB MET 12 11.788 -2.230 -11.778
110 HG2 MET 12 2HG MET 12 11.946 0.224 -12.402
111 HG3 MET 12 3HG MET 12 11.573 -0.283 -14.048
112 HE1 MET 12 3HE MET 12 9.906 1.091 -14.328
113 HE2 MET 12 1HE MET 12 8.409 0.171 -14.473
114 HE3 MET 12 2HE MET 12 8.548 1.443 -13.259
115 H MET 13 H MET 13 14.441 0.450 -11.905
116 HA MET 13 HA MET 13 14.407 1.771 -14.480
117 HB2 MET 13 2HB MET 13 13.622 3.000 -12.539
118 HB3 MET 13 3HB MET 13 15.162 2.760 -11.726
119 HG2 MET 13 2HG MET 13 15.882 4.661 -12.584
120 HG3 MET 13 3HG MET 13 15.741 3.966 -14.197
121 HE1 MET 13 3HE MET 13 12.466 5.237 -15.577
122 HE2 MET 13 1HE MET 13 13.846 4.148 -15.718
123 HE3 MET 13 2HE MET 13 12.488 3.720 -14.677
124 H GLU 14 H GLU 14 16.779 0.609 -12.153
125 HA GLU 14 HA GLU 14 19.031 1.745 -13.501
126 HB2 GLU 14 2HB GLU 14 20.377 0.542 -11.935
127 HB3 GLU 14 3HB GLU 14 18.975 1.148 -11.066
128 HG2 GLU 14 2HG GLU 14 17.937 -1.034 -11.149
129 HG3 GLU 14 3HG GLU 14 19.276 -1.659 -12.111
130 H GLU 15 H GLU 15 17.245 -1.234 -13.723
131 HA GLU 15 HA GLU 15 19.241 -2.655 -15.210
132 HB2 GLU 15 2HB GLU 15 17.621 -4.386 -15.438
133 HB3 GLU 15 3HB GLU 15 17.437 -3.728 -13.818
134 HG2 GLU 15 2HG GLU 15 15.500 -2.468 -14.503
135 HG3 GLU 15 3HG GLU 15 15.713 -2.993 -16.172
136 H ALA 16 H ALA 16 16.506 -0.612 -15.974
137 HA ALA 16 HA ALA 16 16.752 -1.178 -18.826
138 HB1 ALA 16 1HB ALA 16 14.827 0.650 -17.395
139 HB2 ALA 16 2HB ALA 16 14.755 0.170 -19.091
140 HB3 ALA 16 3HB ALA 16 14.511 -1.031 -17.823
141 H ASN 17 H ASN 17 18.064 0.927 -16.569
142 HA ASN 17 HA ASN 17 18.329 3.199 -18.347
143 HB2 ASN 17 2HB ASN 17 18.903 2.625 -15.507
144 HB3 ASN 17 3HB ASN 17 20.013 3.749 -16.285
145 HD21 ASN 17 1HD2 ASN 17 16.675 3.408 -17.222
146 HD22 ASN 17 2HD2 ASN 17 16.150 4.948 -16.643
147 H GLY 18 H GLY 18 19.914 0.275 -17.898
148 HA2 GLY 18 2HA GLY 18 21.650 -0.157 -19.618
149 HA3 GLY 18 3HA GLY 18 22.376 1.365 -19.120
150 H GLN 19 H GLN 19 21.056 -1.234 -17.104
151 HA GLN 19 HA GLN 19 22.972 -1.193 -15.151
152 HB2 GLN 19 2HB GLN 19 21.115 -2.519 -14.682
153 HB3 GLN 19 3HB GLN 19 21.225 -3.387 -16.207
154 HG2 GLN 19 2HG GLN 19 22.881 -4.793 -15.445
155 HG3 GLN 19 3HG GLN 19 23.396 -3.674 -14.184
156 HE21 GLN 19 1HE2 GLN 19 23.223 -4.977 -12.446
157 HE22 GLN 19 2HE2 GLN 19 21.743 -5.678 -11.897
158 H ILE 20 H ILE 20 23.231 -2.481 -18.351
159 HA ILE 20 HA ILE 20 25.935 -3.465 -17.711
160 HB ILE 20 HB ILE 20 24.551 -4.508 -20.122
161 HG12 ILE 20 2HG1 ILE 20 23.733 -6.396 -18.455
162 HG13 ILE 20 3HG1 ILE 20 23.719 -5.062 -17.307
163 HG21 ILE 20 1HG2 ILE 20 25.746 -6.588 -18.820
164 HG22 ILE 20 2HG2 ILE 20 26.511 -5.588 -20.054
165 HG23 ILE 20 3HG2 ILE 20 26.760 -5.225 -18.347
166 HD11 ILE 20 3HD1 ILE 20 21.966 -5.603 -19.612
167 HD12 ILE 20 1HD1 ILE 20 21.603 -4.867 -18.051
168 HD13 ILE 20 2HD1 ILE 20 22.385 -3.916 -19.315
169 H ALA 21 H ALA 21 24.107 -1.224 -19.420
170 HA ALA 21 HA ALA 21 26.229 -0.806 -21.414
171 HB1 ALA 21 1HB ALA 21 24.508 -0.660 -22.818
172 HB2 ALA 21 2HB ALA 21 23.342 -0.563 -21.497
173 HB3 ALA 21 3HB ALA 21 24.149 0.897 -22.069
174 HA PRO 22 HA PRO 22 27.545 2.994 -19.659
175 HB2 PRO 22 2HB PRO 22 27.800 4.625 -21.814
176 HB3 PRO 22 3HB PRO 22 28.904 3.284 -21.489
177 HG2 PRO 22 2HG PRO 22 26.573 3.408 -23.364
178 HG3 PRO 22 3HG PRO 22 28.181 2.707 -23.623
179 HD2 PRO 22 2HD PRO 22 26.016 1.200 -23.012
180 HD3 PRO 22 3HD PRO 22 27.657 0.769 -22.489
181 H GLU 23 H GLU 23 24.510 2.747 -21.075
182 HA GLU 23 HA GLU 23 23.621 5.414 -21.095
183 HB2 GLU 23 2HB GLU 23 22.281 2.747 -20.952
184 HB3 GLU 23 3HB GLU 23 21.327 4.189 -20.637
185 HG2 GLU 23 2HG GLU 23 22.959 4.420 -23.030
186 HG3 GLU 23 3HG GLU 23 21.822 3.075 -23.096
187 H ASN 24 H ASN 24 23.860 3.030 -18.531
188 HA ASN 24 HA ASN 24 22.266 4.197 -16.586
189 HB2 ASN 24 2HB ASN 24 24.050 2.066 -16.700
190 HB3 ASN 24 3HB ASN 24 24.735 3.127 -15.473
191 HD21 ASN 24 1HD2 ASN 24 21.701 1.607 -16.463
192 HD22 ASN 24 2HD2 ASN 24 21.095 1.369 -14.862
193 H GLY 25 H GLY 25 22.317 6.332 -16.181
194 HA2 GLY 25 2HA GLY 25 23.436 7.906 -14.644
195 HA3 GLY 25 3HA GLY 25 24.936 7.499 -15.464
196 H THR 26 H THR 26 22.846 7.526 -17.904
197 HA THR 26 HA THR 26 23.560 10.248 -18.652
198 HB THR 26 HB THR 26 22.136 8.170 -20.322
199 HG1 THR 26 HG1 THR 26 24.388 7.709 -19.489
200 HG21 THR 26 3HG2 THR 26 22.039 9.736 -21.903
201 HG22 THR 26 1HG2 THR 26 23.776 10.007 -21.780
202 HG23 THR 26 2HG2 THR 26 22.667 10.910 -20.747
203 H GLN 27 H GLN 27 20.629 8.244 -18.421
204 HA GLN 27 HA GLN 27 19.033 10.718 -18.430
205 HB2 GLN 27 2HB GLN 27 18.716 8.740 -20.158
206 HB3 GLN 27 3HB GLN 27 17.787 8.037 -18.840
207 HG2 GLN 27 2HG GLN 27 16.259 9.850 -18.835
208 HG3 GLN 27 3HG GLN 27 17.277 10.791 -19.924
209 HE21 GLN 27 1HE2 GLN 27 14.714 8.626 -19.680
210 HE22 GLN 27 2HE2 GLN 27 14.531 8.261 -21.359
211 H THR 28 H THR 28 20.241 8.367 -16.423
212 HA THR 28 HA THR 28 18.249 7.593 -14.714
213 HB THR 28 HB THR 28 21.053 7.622 -14.620
214 HG1 THR 28 HG1 THR 28 20.524 5.814 -13.669
215 HG21 THR 28 3HG2 THR 28 20.859 9.666 -13.217
216 HG22 THR 28 1HG2 THR 28 21.589 8.304 -12.368
217 HG23 THR 28 2HG2 THR 28 19.908 8.738 -12.059
218 HA PRO 29 HA PRO 29 16.627 11.127 -12.675
219 HB2 PRO 29 2HB PRO 29 16.119 10.132 -10.201
220 HB3 PRO 29 3HB PRO 29 15.161 9.704 -11.624
221 HG2 PRO 29 2HG PRO 29 17.378 8.184 -10.306
222 HG3 PRO 29 3HG PRO 29 15.831 7.587 -10.935
223 HD2 PRO 29 2HD PRO 29 18.153 7.341 -12.305
224 HD3 PRO 29 3HD PRO 29 16.586 7.552 -13.112
225 H SER 30 H SER 30 19.029 11.897 -12.860
226 HA SER 30 HA SER 30 20.786 11.831 -10.709
227 HB2 SER 30 2HB SER 30 20.372 13.622 -13.039
228 HB3 SER 30 3HB SER 30 21.335 14.270 -11.711
229 HG SER 30 HG SER 30 22.465 13.031 -13.425
230 HA PRO 31 HA PRO 31 19.064 14.343 -7.550
231 HB2 PRO 31 2HB PRO 31 21.289 15.505 -6.516
232 HB3 PRO 31 3HB PRO 31 20.898 13.798 -6.278
233 HG2 PRO 31 2HG PRO 31 22.789 15.053 -8.230
234 HG3 PRO 31 3HG PRO 31 23.007 13.600 -7.237
235 HD2 PRO 31 2HD PRO 31 22.340 13.487 -9.859
236 HD3 PRO 31 3HD PRO 31 21.790 12.278 -8.680
237 HA PRO 32 HA PRO 32 18.467 18.512 -8.815
238 HB2 PRO 32 2HB PRO 32 18.311 19.840 -6.453
239 HB3 PRO 32 3HB PRO 32 17.039 18.758 -7.032
240 HG2 PRO 32 2HG PRO 32 19.217 18.230 -5.047
241 HG3 PRO 32 3HG PRO 32 17.505 17.774 -4.977
242 HD2 PRO 32 2HD PRO 32 19.449 16.033 -5.702
243 HD3 PRO 32 3HD PRO 32 17.803 15.957 -6.364
244 H SER 33 H SER 33 19.273 20.839 -8.372
245 HA SER 33 HA SER 33 22.167 20.768 -8.553
246 HB2 SER 33 2HB SER 33 21.379 23.429 -8.737
247 HB3 SER 33 3HB SER 33 21.673 22.335 -10.088
248 HG SER 33 HG SER 33 19.643 22.622 -10.518
249 H GLU 34 H GLU 34 19.710 21.733 -6.300
250 HA GLU 34 HA GLU 34 21.333 23.442 -4.703
251 HB2 GLU 34 2HB GLU 34 18.733 23.189 -4.802
252 HB3 GLU 34 3HB GLU 34 18.991 21.928 -3.605
253 HG2 GLU 34 2HG GLU 34 20.242 23.634 -2.242
254 HG3 GLU 34 3HG GLU 34 19.652 24.848 -3.376
255 H LYS 35 H LYS 35 20.891 20.014 -4.905
256 HA LYS 35 HA LYS 35 22.664 19.672 -2.575
257 HB2 LYS 35 2HB LYS 35 20.140 18.787 -2.612
258 HB3 LYS 35 3HB LYS 35 20.908 17.427 -3.422
259 HG2 LYS 35 2HG LYS 35 22.178 16.872 -1.562
260 HG3 LYS 35 3HG LYS 35 21.990 18.470 -0.836
261 HD2 LYS 35 2HD LYS 35 19.659 16.619 -1.257
262 HD3 LYS 35 3HD LYS 35 20.657 16.556 0.197
263 HE2 LYS 35 2HE LYS 35 20.190 19.055 0.416
264 HE3 LYS 35 3HE LYS 35 18.934 18.809 -0.797
265 HZ1 LYS 35 3HZ LYS 35 18.141 18.690 1.535
266 HZ2 LYS 35 1HZ LYS 35 19.081 17.300 1.753
267 HZ3 LYS 35 2HZ LYS 35 17.812 17.296 0.635
Start of MODEL 19
1 H1 LYS 1 H LYS 1 1.569 -1.293 0.147
2 HA LYS 1 HA LYS 1 2.272 -2.332 -2.486
3 HB2 LYS 1 2HB LYS 1 0.605 -0.103 -2.986
4 HB3 LYS 1 3HB LYS 1 0.337 -1.778 -3.447
5 HG2 LYS 1 2HG LYS 1 -0.405 -0.776 -0.724
6 HG3 LYS 1 3HG LYS 1 -1.485 -0.584 -2.108
7 HD2 LYS 1 2HD LYS 1 -1.775 -2.882 -2.354
8 HD3 LYS 1 3HD LYS 1 -0.316 -3.261 -1.434
9 HE2 LYS 1 2HE LYS 1 -2.324 -1.768 0.081
10 HE3 LYS 1 3HE LYS 1 -2.877 -3.350 -0.467
11 HZ1 LYS 1 3HZ LYS 1 -0.890 -2.677 1.522
12 HZ2 LYS 1 1HZ LYS 1 -0.435 -3.923 0.472
13 HZ3 LYS 1 2HZ LYS 1 -1.856 -4.058 1.380
14 H VAL 2 H VAL 2 3.929 -1.193 -0.555
15 HA VAL 2 HA VAL 2 4.830 1.183 -2.000
16 HB VAL 2 HB VAL 2 4.281 1.098 0.961
17 HG11 VAL 2 1HG1 VAL 2 5.419 3.332 1.030
18 HG12 VAL 2 2HG1 VAL 2 6.498 1.955 0.795
19 HG13 VAL 2 3HG1 VAL 2 6.063 2.980 -0.573
20 HG21 VAL 2 3HG2 VAL 2 2.966 2.230 -1.300
21 HG22 VAL 2 1HG2 VAL 2 2.497 2.293 0.399
22 HG23 VAL 2 2HG2 VAL 2 3.551 3.538 -0.272
23 H GLY 3 H GLY 3 5.477 -1.339 0.375
24 HA2 GLY 3 2HA GLY 3 8.294 -0.839 0.509
25 HA3 GLY 3 3HA GLY 3 7.457 -2.255 1.127
26 H PHE 4 H PHE 4 6.336 -2.287 -1.829
27 HA PHE 4 HA PHE 4 8.331 -4.181 -2.745
28 HB2 PHE 4 2HB PHE 4 5.875 -3.409 -4.293
29 HB3 PHE 4 3HB PHE 4 6.726 -4.951 -4.266
30 HD1 PHE 4 HD1 PHE 4 4.503 -2.732 -2.325
31 HD2 PHE 4 HD2 PHE 4 6.151 -6.636 -2.724
32 HE1 PHE 4 HE1 PHE 4 2.917 -3.570 -0.641
33 HE2 PHE 4 HE2 PHE 4 4.567 -7.480 -1.041
34 HZ PHE 4 HZ PHE 4 2.947 -5.947 0.002
35 H PHE 5 H PHE 5 6.962 -1.087 -3.764
36 HA PHE 5 HA PHE 5 8.437 -0.926 -6.192
37 HB2 PHE 5 2HB PHE 5 7.266 1.369 -4.614
38 HB3 PHE 5 3HB PHE 5 7.637 1.339 -6.335
39 HD1 PHE 5 HD2 PHE 5 5.414 -0.071 -3.741
40 HD2 PHE 5 HD1 PHE 5 6.081 0.537 -7.900
41 HE1 PHE 5 HE2 PHE 5 3.123 -0.832 -4.216
42 HE2 PHE 5 HE1 PHE 5 3.791 -0.222 -8.382
43 HZ PHE 5 HZ PHE 5 2.309 -0.909 -6.539
44 H LYS 6 H LYS 6 9.033 0.057 -2.887
45 HA LYS 6 HA LYS 6 11.135 1.840 -3.251
46 HB2 LYS 6 2HB LYS 6 10.471 -0.093 -1.044
47 HB3 LYS 6 3HB LYS 6 11.904 0.924 -0.961
48 HG2 LYS 6 2HG LYS 6 9.054 1.871 -1.180
49 HG3 LYS 6 3HG LYS 6 10.079 1.937 0.255
50 HD2 LYS 6 2HD LYS 6 11.675 3.342 -1.146
51 HD3 LYS 6 3HD LYS 6 10.358 3.478 -2.313
52 HE2 LYS 6 2HE LYS 6 8.968 4.230 -0.244
53 HE3 LYS 6 3HE LYS 6 10.546 4.554 0.471
54 HZ1 LYS 6 3HZ LYS 6 9.166 6.279 -1.071
55 HZ2 LYS 6 1HZ LYS 6 10.231 5.598 -2.195
56 HZ3 LYS 6 2HZ LYS 6 10.836 6.347 -0.805
57 H ARG 7 H ARG 7 11.060 -1.633 -3.502
58 HA ARG 7 HA ARG 7 13.971 -1.654 -3.949
59 HB2 ARG 7 2HB ARG 7 12.093 -3.610 -2.738
60 HB3 ARG 7 3HB ARG 7 13.411 -4.265 -3.701
61 HG2 ARG 7 2HG ARG 7 14.440 -4.228 -1.687
62 HG3 ARG 7 3HG ARG 7 14.823 -2.585 -2.207
63 HD2 ARG 7 2HD ARG 7 12.289 -2.464 -0.997
64 HD3 ARG 7 3HD ARG 7 13.289 -3.468 0.052
65 HE ARG 7 HE ARG 7 14.716 -1.154 -0.688
66 HH11 ARG 7 1HH1 ARG 7 12.046 -2.170 1.302
67 HH12 ARG 7 2HH1 ARG 7 12.240 -0.884 2.447
68 HH21 ARG 7 1HH2 ARG 7 14.981 0.544 0.812
69 HH22 ARG 7 2HH2 ARG 7 13.909 0.660 2.166
70 H GLN 8 H GLN 8 10.907 -2.083 -5.398
71 HA GLN 8 HA GLN 8 11.960 -3.621 -7.637
72 HB2 GLN 8 2HB GLN 8 9.713 -4.125 -6.676
73 HB3 GLN 8 3HB GLN 8 9.169 -2.542 -7.215
74 HG2 GLN 8 2HG GLN 8 9.739 -3.221 -9.544
75 HG3 GLN 8 3HG GLN 8 10.065 -4.842 -8.932
76 HE21 GLN 8 1HE2 GLN 8 8.173 -5.591 -7.411
77 HE22 GLN 8 2HE2 GLN 8 6.601 -5.431 -8.109
78 H TYR 9 H TYR 9 10.505 -0.448 -7.007
79 HA TYR 9 HA TYR 9 10.646 0.495 -9.660
80 HB2 TYR 9 2HB TYR 9 9.218 1.552 -7.982
81 HB3 TYR 9 3HB TYR 9 10.635 2.042 -7.060
82 HD1 TYR 9 HD2 TYR 9 12.341 3.562 -8.322
83 HD2 TYR 9 HD1 TYR 9 8.295 3.022 -9.522
84 HE1 TYR 9 HE2 TYR 9 12.442 5.668 -9.588
85 HE2 TYR 9 HE1 TYR 9 8.386 5.126 -10.793
86 HH TYR 9 HH TYR 9 10.378 6.515 -11.914
87 H LYS 10 H LYS 10 12.906 0.629 -6.959
88 HA LYS 10 HA LYS 10 14.782 2.346 -8.238
89 HB2 LYS 10 2HB LYS 10 15.364 0.375 -6.028
90 HB3 LYS 10 3HB LYS 10 16.245 1.848 -6.409
91 HG2 LYS 10 2HG LYS 10 13.386 1.800 -5.473
92 HG3 LYS 10 3HG LYS 10 14.777 1.998 -4.403
93 HD2 LYS 10 2HD LYS 10 15.318 4.082 -5.291
94 HD3 LYS 10 3HD LYS 10 14.398 3.797 -6.771
95 HE2 LYS 10 2HE LYS 10 12.636 4.806 -5.874
96 HE3 LYS 10 3HE LYS 10 12.610 3.619 -4.571
97 HZ1 LYS 10 3HZ LYS 10 14.475 5.107 -3.599
98 HZ2 LYS 10 1HZ LYS 10 12.860 5.580 -3.432
99 HZ3 LYS 10 2HZ LYS 10 13.831 6.293 -4.619
100 H GLU 11 H GLU 11 14.389 -1.147 -8.017
101 HA GLU 11 HA GLU 11 16.882 -1.728 -9.316
102 HB2 GLU 11 2HB GLU 11 16.424 -3.919 -8.887
103 HB3 GLU 11 3HB GLU 11 15.327 -3.195 -7.720
104 HG2 GLU 11 2HG GLU 11 13.947 -4.714 -8.711
105 HG3 GLU 11 3HG GLU 11 13.629 -3.294 -9.706
106 H MET 12 H MET 12 13.606 -1.140 -10.314
107 HA MET 12 HA MET 12 13.995 -2.196 -12.975
108 HB2 MET 12 2HB MET 12 11.745 -1.818 -13.319
109 HB3 MET 12 3HB MET 12 11.786 -2.031 -11.574
110 HG2 MET 12 2HG MET 12 10.600 -0.139 -11.550
111 HG3 MET 12 3HG MET 12 12.169 0.635 -11.761
112 HE1 MET 12 3HE MET 12 9.649 2.526 -12.913
113 HE2 MET 12 1HE MET 12 8.699 1.574 -14.054
114 HE3 MET 12 2HE MET 12 8.953 0.984 -12.411
115 H MET 13 H MET 13 14.511 0.771 -11.344
116 HA MET 13 HA MET 13 14.431 2.386 -13.753
117 HB2 MET 13 2HB MET 13 14.569 2.872 -10.871
118 HB3 MET 13 3HB MET 13 15.611 3.937 -11.804
119 HG2 MET 13 2HG MET 13 13.267 3.998 -13.222
120 HG3 MET 13 3HG MET 13 12.713 3.898 -11.552
121 HE1 MET 13 3HE MET 13 13.092 7.693 -13.379
122 HE2 MET 13 1HE MET 13 13.483 6.243 -14.306
123 HE3 MET 13 2HE MET 13 11.985 6.318 -13.378
124 H GLU 14 H GLU 14 16.811 0.932 -11.611
125 HA GLU 14 HA GLU 14 19.057 2.201 -12.868
126 HB2 GLU 14 2HB GLU 14 18.762 -0.031 -10.873
127 HB3 GLU 14 3HB GLU 14 20.327 0.378 -11.561
128 HG2 GLU 14 2HG GLU 14 20.066 2.677 -10.718
129 HG3 GLU 14 3HG GLU 14 18.542 2.205 -9.969
130 H GLU 15 H GLU 15 17.204 -0.679 -13.390
131 HA GLU 15 HA GLU 15 19.188 -1.998 -15.001
132 HB2 GLU 15 2HB GLU 15 17.577 -3.701 -15.335
133 HB3 GLU 15 3HB GLU 15 17.357 -3.151 -13.680
134 HG2 GLU 15 2HG GLU 15 15.192 -3.132 -14.265
135 HG3 GLU 15 3HG GLU 15 15.603 -1.549 -14.923
136 H ALA 16 H ALA 16 16.485 0.151 -15.536
137 HA ALA 16 HA ALA 16 16.688 -0.158 -18.433
138 HB1 ALA 16 1HB ALA 16 14.702 1.229 -18.549
139 HB2 ALA 16 2HB ALA 16 14.458 -0.091 -17.404
140 HB3 ALA 16 3HB ALA 16 14.791 1.537 -16.814
141 H ASN 17 H ASN 17 18.034 1.721 -16.000
142 HA ASN 17 HA ASN 17 18.304 4.144 -17.565
143 HB2 ASN 17 2HB ASN 17 18.914 3.305 -14.793
144 HB3 ASN 17 3HB ASN 17 19.994 4.515 -15.481
145 HD21 ASN 17 1HD2 ASN 17 16.652 4.222 -16.410
146 HD22 ASN 17 2HD2 ASN 17 16.113 5.689 -15.673
147 H GLY 18 H GLY 18 19.868 1.182 -17.400
148 HA2 GLY 18 2HA GLY 18 21.592 0.900 -19.162
149 HA3 GLY 18 3HA GLY 18 22.333 2.362 -18.528
150 H GLN 19 H GLN 19 21.002 -0.408 -16.761
151 HA GLN 19 HA GLN 19 22.924 -0.566 -14.820
152 HB2 GLN 19 2HB GLN 19 21.064 -1.922 -14.471
153 HB3 GLN 19 3HB GLN 19 21.158 -2.635 -16.076
154 HG2 GLN 19 2HG GLN 19 22.806 -4.123 -15.468
155 HG3 GLN 19 3HG GLN 19 23.342 -3.136 -14.110
156 HE21 GLN 19 1HE2 GLN 19 23.070 -4.321 -12.354
157 HE22 GLN 19 2HE2 GLN 19 21.629 -5.169 -11.920
158 H ILE 20 H ILE 20 23.168 -1.541 -18.130
159 HA ILE 20 HA ILE 20 25.867 -2.597 -17.596
160 HB ILE 20 HB ILE 20 24.473 -3.390 -20.095
161 HG12 ILE 20 2HG1 ILE 20 23.646 -5.428 -18.618
162 HG13 ILE 20 3HG1 ILE 20 23.643 -4.213 -17.345
163 HG21 ILE 20 1HG2 ILE 20 26.438 -4.469 -20.131
164 HG22 ILE 20 2HG2 ILE 20 26.673 -4.302 -18.392
165 HG23 ILE 20 3HG2 ILE 20 25.656 -5.597 -19.024
166 HD11 ILE 20 3HD1 ILE 20 21.529 -3.926 -18.058
167 HD12 ILE 20 1HD1 ILE 20 22.313 -2.869 -19.232
168 HD13 ILE 20 2HD1 ILE 20 21.878 -4.518 -19.682
169 H ALA 21 H ALA 21 24.050 -0.189 -19.074
170 HA ALA 21 HA ALA 21 26.172 0.410 -21.021
171 HB1 ALA 21 1HB ALA 21 24.009 2.169 -21.400
172 HB2 ALA 21 2HB ALA 21 24.508 0.825 -22.427
173 HB3 ALA 21 3HB ALA 21 23.319 0.565 -21.150
174 HA PRO 22 HA PRO 22 27.511 4.013 -18.906
175 HB2 PRO 22 2HB PRO 22 27.771 5.846 -20.892
176 HB3 PRO 22 3HB PRO 22 28.868 4.474 -20.702
177 HG2 PRO 22 2HG PRO 22 26.535 4.793 -22.550
178 HG3 PRO 22 3HG PRO 22 28.138 4.112 -22.881
179 HD2 PRO 22 2HD PRO 22 25.966 2.564 -22.415
180 HD3 PRO 22 3HD PRO 22 27.606 2.076 -21.941
181 H GLU 23 H GLU 23 24.473 3.922 -20.333
182 HA GLU 23 HA GLU 23 23.600 6.584 -20.084
183 HB2 GLU 23 2HB GLU 23 22.242 3.924 -20.211
184 HB3 GLU 23 3HB GLU 23 21.298 5.336 -19.758
185 HG2 GLU 23 2HG GLU 23 22.869 4.994 -22.302
186 HG3 GLU 23 3HG GLU 23 21.117 4.892 -22.133
187 H ASN 24 H ASN 24 23.837 3.956 -17.775
188 HA ASN 24 HA ASN 24 22.242 4.917 -15.722
189 HB2 ASN 24 2HB ASN 24 24.028 2.811 -16.051
190 HB3 ASN 24 3HB ASN 24 24.717 3.745 -14.727
191 HD21 ASN 24 1HD2 ASN 24 21.667 2.349 -15.850
192 HD22 ASN 24 2HD2 ASN 24 21.072 1.945 -14.279
193 H GLY 25 H GLY 25 22.288 7.000 -15.104
194 HA2 GLY 25 2HA GLY 25 23.404 8.414 -13.417
195 HA3 GLY 25 3HA GLY 25 24.905 8.095 -14.274
196 H THR 26 H THR 26 22.791 8.366 -16.688
197 HA THR 26 HA THR 26 23.515 11.144 -17.172
198 HB THR 26 HB THR 26 22.710 10.781 -19.450
199 HG1 THR 26 HG1 THR 26 21.950 8.658 -20.008
200 HG21 THR 26 3HG2 THR 26 24.972 9.778 -18.417
201 HG22 THR 26 1HG2 THR 26 24.541 9.612 -20.118
202 HG23 THR 26 2HG2 THR 26 24.236 8.285 -18.997
203 H GLN 27 H GLN 27 20.572 9.144 -17.113
204 HA GLN 27 HA GLN 27 18.994 11.616 -16.857
205 HB2 GLN 27 2HB GLN 27 18.686 9.480 -18.619
206 HB3 GLN 27 3HB GLN 27 17.444 9.220 -17.401
207 HG2 GLN 27 2HG GLN 27 16.173 10.710 -18.415
208 HG3 GLN 27 3HG GLN 27 17.369 11.953 -18.053
209 HE21 GLN 27 1HE2 GLN 27 16.737 9.344 -20.367
210 HE22 GLN 27 2HE2 GLN 27 17.337 10.190 -21.749
211 H THR 28 H THR 28 20.206 9.070 -15.108
212 HA THR 28 HA THR 28 18.225 8.135 -13.467
213 HB THR 28 HB THR 28 21.030 8.146 -13.396
214 HG1 THR 28 HG1 THR 28 20.670 6.357 -12.160
215 HG21 THR 28 3HG2 THR 28 19.911 9.002 -10.725
216 HG22 THR 28 1HG2 THR 28 20.856 10.040 -11.793
217 HG23 THR 28 2HG2 THR 28 21.588 8.596 -11.091
218 HA PRO 29 HA PRO 29 16.636 11.452 -11.070
219 HB2 PRO 29 2HB PRO 29 16.144 10.215 -8.704
220 HB3 PRO 29 3HB PRO 29 15.172 9.936 -10.154
221 HG2 PRO 29 2HG PRO 29 17.393 8.283 -9.015
222 HG3 PRO 29 3HG PRO 29 15.839 7.758 -9.687
223 HD2 PRO 29 2HD PRO 29 18.148 7.643 -11.095
224 HD3 PRO 29 3HD PRO 29 16.575 7.940 -11.863
225 H SER 30 H SER 30 19.038 12.231 -11.196
226 HA SER 30 HA SER 30 20.769 11.942 -9.016
227 HB2 SER 30 2HB SER 30 21.950 12.962 -10.658
228 HB3 SER 30 3HB SER 30 20.523 13.756 -11.322
229 HG SER 30 HG SER 30 21.451 15.454 -10.464
230 HA PRO 31 HA PRO 31 19.063 14.374 -5.787
231 HB2 PRO 31 2HB PRO 31 21.304 15.395 -4.644
232 HB3 PRO 31 3HB PRO 31 20.839 13.696 -4.496
233 HG2 PRO 31 2HG PRO 31 22.830 14.962 -6.338
234 HG3 PRO 31 3HG PRO 31 22.964 13.457 -5.410
235 HD2 PRO 31 2HD PRO 31 22.364 13.491 -8.050
236 HD3 PRO 31 3HD PRO 31 21.734 12.254 -6.944
237 HA PRO 32 HA PRO 32 18.667 18.618 -6.868
238 HB2 PRO 32 2HB PRO 32 18.502 19.842 -4.451
239 HB3 PRO 32 3HB PRO 32 17.204 18.841 -5.111
240 HG2 PRO 32 2HG PRO 32 19.305 18.133 -3.100
241 HG3 PRO 32 3HG PRO 32 17.575 17.744 -3.094
242 HD2 PRO 32 2HD PRO 32 19.466 15.961 -3.852
243 HD3 PRO 32 3HD PRO 32 17.837 15.983 -4.558
244 H SER 33 H SER 33 21.295 17.686 -4.794
245 HA SER 33 HA SER 33 22.629 20.214 -4.790
246 HB2 SER 33 2HB SER 33 23.163 18.757 -2.993
247 HB3 SER 33 3HB SER 33 23.502 17.413 -4.084
248 HG SER 33 HG SER 33 25.457 18.141 -4.357
249 H GLU 34 H GLU 34 22.521 17.488 -6.929
250 HA GLU 34 HA GLU 34 24.887 18.334 -8.395
251 HB2 GLU 34 2HB GLU 34 23.724 15.877 -7.973
252 HB3 GLU 34 3HB GLU 34 23.215 16.259 -9.612
253 HG2 GLU 34 2HG GLU 34 25.765 16.860 -9.895
254 HG3 GLU 34 3HG GLU 34 25.934 15.750 -8.537
255 H LYS 35 H LYS 35 21.438 18.601 -8.558
256 HA LYS 35 HA LYS 35 21.668 19.894 -11.197
257 HB2 LYS 35 2HB LYS 35 20.057 17.773 -10.516
258 HB3 LYS 35 3HB LYS 35 18.970 19.143 -10.326
259 HG2 LYS 35 2HG LYS 35 18.956 19.622 -12.547
260 HG3 LYS 35 3HG LYS 35 20.592 19.012 -12.803
261 HD2 LYS 35 2HD LYS 35 19.806 17.035 -13.454
262 HD3 LYS 35 3HD LYS 35 18.860 16.875 -11.973
263 HE2 LYS 35 2HE LYS 35 16.989 17.918 -12.926
264 HE3 LYS 35 3HE LYS 35 17.932 18.589 -14.256
265 HZ1 LYS 35 3HZ LYS 35 17.410 15.693 -13.861
266 HZ2 LYS 35 1HZ LYS 35 18.184 16.409 -15.185
267 HZ3 LYS 35 2HZ LYS 35 16.539 16.690 -14.914
Start of MODEL 20
1 H1 LYS 1 H LYS 1 1.965 -0.895 0.106
2 HA LYS 1 HA LYS 1 2.162 -1.643 -2.586
3 HB2 LYS 1 2HB LYS 1 0.702 0.743 -2.981
4 HB3 LYS 1 3HB LYS 1 0.285 -0.879 -3.516
5 HG2 LYS 1 2HG LYS 1 -0.370 0.064 -0.749
6 HG3 LYS 1 3HG LYS 1 -1.424 0.416 -2.121
7 HD2 LYS 1 2HD LYS 1 -1.922 -1.833 -2.471
8 HD3 LYS 1 3HD LYS 1 -0.507 -2.385 -1.571
9 HE2 LYS 1 2HE LYS 1 -2.753 -0.886 -0.254
10 HE3 LYS 1 3HE LYS 1 -2.790 -2.637 -0.454
11 HZ1 LYS 1 3HZ LYS 1 -0.336 -2.172 0.606
12 HZ2 LYS 1 1HZ LYS 1 -1.696 -2.689 1.469
13 HZ3 LYS 1 2HZ LYS 1 -1.305 -1.045 1.413
14 H VAL 2 H VAL 2 3.901 -0.744 -0.595
15 HA VAL 2 HA VAL 2 5.014 1.609 -1.925
16 HB VAL 2 HB VAL 2 4.444 1.429 1.027
17 HG11 VAL 2 1HG1 VAL 2 6.728 2.092 0.910
18 HG12 VAL 2 2HG1 VAL 2 6.397 3.216 -0.410
19 HG13 VAL 2 3HG1 VAL 2 5.777 3.547 1.208
20 HG21 VAL 2 3HG2 VAL 2 2.804 2.853 0.562
21 HG22 VAL 2 1HG2 VAL 2 3.960 3.978 -0.153
22 HG23 VAL 2 2HG2 VAL 2 3.202 2.737 -1.152
23 H GLY 3 H GLY 3 5.426 -1.077 0.317
24 HA2 GLY 3 2HA GLY 3 8.277 -0.831 0.476
25 HA3 GLY 3 3HA GLY 3 7.316 -2.195 1.027
26 H PHE 4 H PHE 4 6.199 -2.006 -1.918
27 HA PHE 4 HA PHE 4 8.027 -4.016 -2.925
28 HB2 PHE 4 2HB PHE 4 5.650 -2.967 -4.433
29 HB3 PHE 4 3HB PHE 4 6.363 -4.576 -4.474
30 HD1 PHE 4 HD1 PHE 4 4.339 -2.259 -2.433
31 HD2 PHE 4 HD2 PHE 4 5.638 -6.271 -3.009
32 HE1 PHE 4 HE1 PHE 4 2.683 -3.028 -0.784
33 HE2 PHE 4 HE2 PHE 4 3.983 -7.046 -1.362
34 HZ PHE 4 HZ PHE 4 2.502 -5.424 -0.248
35 H PHE 5 H PHE 5 6.872 -0.803 -3.870
36 HA PHE 5 HA PHE 5 8.383 -0.655 -6.265
37 HB2 PHE 5 2HB PHE 5 7.405 1.669 -4.600
38 HB3 PHE 5 3HB PHE 5 7.763 1.667 -6.323
39 HD1 PHE 5 HD2 PHE 5 5.437 0.390 -3.757
40 HD2 PHE 5 HD1 PHE 5 6.147 1.017 -7.906
41 HE1 PHE 5 HE2 PHE 5 3.089 -0.163 -4.238
42 HE2 PHE 5 HE1 PHE 5 3.799 0.465 -8.395
43 HZ PHE 5 HZ PHE 5 2.267 -0.127 -6.560
44 H LYS 6 H LYS 6 9.064 0.097 -2.924
45 HA LYS 6 HA LYS 6 11.288 1.742 -3.197
46 HB2 LYS 6 2HB LYS 6 10.185 -0.013 -1.114
47 HB3 LYS 6 3HB LYS 6 11.923 0.231 -1.002
48 HG2 LYS 6 2HG LYS 6 10.517 1.828 0.321
49 HG3 LYS 6 3HG LYS 6 11.674 2.574 -0.784
50 HD2 LYS 6 2HD LYS 6 9.070 2.074 -2.003
51 HD3 LYS 6 3HD LYS 6 8.993 3.166 -0.618
52 HE2 LYS 6 2HE LYS 6 10.055 4.814 -1.712
53 HE3 LYS 6 3HE LYS 6 11.209 3.708 -2.454
54 HZ1 LYS 6 3HZ LYS 6 8.842 3.137 -3.685
55 HZ2 LYS 6 1HZ LYS 6 10.101 4.066 -4.330
56 HZ3 LYS 6 2HZ LYS 6 8.812 4.822 -3.538
57 H ARG 7 H ARG 7 10.970 -1.711 -3.607
58 HA ARG 7 HA ARG 7 13.864 -1.904 -4.115
59 HB2 ARG 7 2HB ARG 7 11.881 -3.765 -2.944
60 HB3 ARG 7 3HB ARG 7 13.087 -4.484 -4.002
61 HG2 ARG 7 2HG ARG 7 14.362 -4.600 -2.181
62 HG3 ARG 7 3HG ARG 7 14.605 -2.866 -2.402
63 HD2 ARG 7 2HD ARG 7 13.133 -2.309 -0.732
64 HD3 ARG 7 3HD ARG 7 12.200 -3.793 -0.913
65 HE ARG 7 HE ARG 7 14.775 -4.421 0.024
66 HH11 ARG 7 1HH1 ARG 7 11.821 -2.910 1.074
67 HH12 ARG 7 2HH1 ARG 7 12.055 -3.311 2.743
68 HH21 ARG 7 1HH2 ARG 7 15.096 -4.956 2.218
69 HH22 ARG 7 2HH2 ARG 7 13.919 -4.475 3.392
70 H GLN 8 H GLN 8 10.760 -2.047 -5.535
71 HA GLN 8 HA GLN 8 11.661 -3.548 -7.860
72 HB2 GLN 8 2HB GLN 8 9.009 -2.432 -6.990
73 HB3 GLN 8 3HB GLN 8 9.258 -3.000 -8.635
74 HG2 GLN 8 2HG GLN 8 8.405 -4.529 -6.555
75 HG3 GLN 8 3HG GLN 8 9.136 -5.141 -8.037
76 HE21 GLN 8 1HE2 GLN 8 11.127 -6.053 -7.969
77 HE22 GLN 8 2HE2 GLN 8 12.024 -6.306 -6.514
78 H TYR 9 H TYR 9 10.496 -0.290 -7.071
79 HA TYR 9 HA TYR 9 10.694 0.766 -9.673
80 HB2 TYR 9 2HB TYR 9 9.414 1.859 -7.883
81 HB3 TYR 9 3HB TYR 9 10.907 2.198 -7.015
82 HD1 TYR 9 HD2 TYR 9 12.681 3.606 -8.324
83 HD2 TYR 9 HD1 TYR 9 8.547 3.459 -9.320
84 HE1 TYR 9 HE2 TYR 9 12.901 5.738 -9.529
85 HE2 TYR 9 HE1 TYR 9 8.756 5.591 -10.529
86 HH TYR 9 HH TYR 9 11.229 7.675 -10.165
87 H LYS 10 H LYS 10 12.984 0.688 -6.975
88 HA LYS 10 HA LYS 10 14.996 2.236 -8.212
89 HB2 LYS 10 2HB LYS 10 15.422 0.076 -6.146
90 HB3 LYS 10 3HB LYS 10 16.449 1.468 -6.462
91 HG2 LYS 10 2HG LYS 10 13.632 1.621 -5.411
92 HG3 LYS 10 3HG LYS 10 15.089 1.697 -4.418
93 HD2 LYS 10 2HD LYS 10 15.010 3.569 -6.690
94 HD3 LYS 10 3HD LYS 10 13.815 3.865 -5.425
95 HE2 LYS 10 2HE LYS 10 16.577 3.306 -4.533
96 HE3 LYS 10 3HE LYS 10 16.315 4.841 -5.359
97 HZ1 LYS 10 3HZ LYS 10 14.367 4.183 -3.318
98 HZ2 LYS 10 1HZ LYS 10 15.133 5.654 -3.652
99 HZ3 LYS 10 2HZ LYS 10 15.932 4.472 -2.746
100 H GLU 11 H GLU 11 14.358 -1.239 -8.134
101 HA GLU 11 HA GLU 11 16.736 -1.931 -9.571
102 HB2 GLU 11 2HB GLU 11 16.141 -4.085 -9.190
103 HB3 GLU 11 3HB GLU 11 15.059 -3.349 -8.016
104 HG2 GLU 11 2HG GLU 11 13.372 -3.278 -9.973
105 HG3 GLU 11 3HG GLU 11 14.434 -4.477 -10.709
106 H MET 12 H MET 12 13.519 -0.973 -10.423
107 HA MET 12 HA MET 12 13.699 -1.938 -13.141
108 HB2 MET 12 2HB MET 12 11.671 -0.355 -11.593
109 HB3 MET 12 3HB MET 12 11.563 -0.475 -13.345
110 HG2 MET 12 2HG MET 12 11.888 -3.000 -11.842
111 HG3 MET 12 3HG MET 12 10.342 -2.167 -11.697
112 HE1 MET 12 3HE MET 12 8.706 -2.320 -15.019
113 HE2 MET 12 1HE MET 12 8.894 -1.495 -13.472
114 HE3 MET 12 2HE MET 12 9.841 -0.978 -14.867
115 H MET 13 H MET 13 14.541 0.904 -11.398
116 HA MET 13 HA MET 13 14.594 2.609 -13.740
117 HB2 MET 13 2HB MET 13 14.716 2.972 -10.873
118 HB3 MET 13 3HB MET 13 16.004 3.865 -11.671
119 HG2 MET 13 2HG MET 13 13.115 4.051 -12.478
120 HG3 MET 13 3HG MET 13 13.874 5.127 -11.306
121 HE1 MET 13 3HE MET 13 13.127 5.712 -15.352
122 HE2 MET 13 1HE MET 13 14.355 4.475 -15.623
123 HE3 MET 13 2HE MET 13 13.005 4.152 -14.535
124 H GLU 14 H GLU 14 16.852 0.826 -11.719
125 HA GLU 14 HA GLU 14 19.190 1.907 -12.985
126 HB2 GLU 14 2HB GLU 14 18.608 0.227 -10.733
127 HB3 GLU 14 3HB GLU 14 19.816 -0.556 -11.742
128 HG2 GLU 14 2HG GLU 14 21.233 1.405 -11.616
129 HG3 GLU 14 3HG GLU 14 20.010 2.249 -10.669
130 H GLU 15 H GLU 15 17.024 -0.720 -13.580
131 HA GLU 15 HA GLU 15 18.831 -2.183 -15.281
132 HB2 GLU 15 2HB GLU 15 17.065 -3.713 -15.608
133 HB3 GLU 15 3HB GLU 15 16.909 -3.178 -13.941
134 HG2 GLU 15 2HG GLU 15 14.752 -2.940 -14.508
135 HG3 GLU 15 3HG GLU 15 15.308 -1.390 -15.137
136 H ALA 16 H ALA 16 16.366 0.260 -15.659
137 HA ALA 16 HA ALA 16 16.465 0.039 -18.572
138 HB1 ALA 16 1HB ALA 16 14.274 0.274 -17.480
139 HB2 ALA 16 2HB ALA 16 14.772 1.844 -16.848
140 HB3 ALA 16 3HB ALA 16 14.615 1.603 -18.588
141 H ASN 17 H ASN 17 18.052 1.669 -16.113
142 HA ASN 17 HA ASN 17 18.505 4.130 -17.570
143 HB2 ASN 17 2HB ASN 17 19.127 3.094 -14.870
144 HB3 ASN 17 3HB ASN 17 20.297 4.226 -15.541
145 HD21 ASN 17 1HD2 ASN 17 16.916 4.316 -16.358
146 HD22 ASN 17 2HD2 ASN 17 16.550 5.786 -15.527
147 H GLY 18 H GLY 18 19.793 1.024 -17.581
148 HA2 GLY 18 2HA GLY 18 21.411 0.651 -19.423
149 HA3 GLY 18 3HA GLY 18 22.303 2.023 -18.781
150 H GLN 19 H GLN 19 20.813 -0.683 -17.041
151 HA GLN 19 HA GLN 19 22.787 -1.067 -15.188
152 HB2 GLN 19 2HB GLN 19 20.707 -2.224 -14.963
153 HB3 GLN 19 3HB GLN 19 20.955 -3.089 -16.474
154 HG2 GLN 19 2HG GLN 19 23.095 -3.538 -14.563
155 HG3 GLN 19 3HG GLN 19 21.514 -4.022 -13.951
156 HE21 GLN 19 1HE2 GLN 19 23.995 -5.469 -14.965
157 HE22 GLN 19 2HE2 GLN 19 23.364 -6.635 -16.073
158 H ILE 20 H ILE 20 22.829 -1.932 -18.535
159 HA ILE 20 HA ILE 20 25.433 -3.257 -18.142
160 HB ILE 20 HB ILE 20 23.912 -3.753 -20.644
161 HG12 ILE 20 2HG1 ILE 20 22.920 -5.787 -19.265
162 HG13 ILE 20 3HG1 ILE 20 23.061 -4.654 -17.926
163 HG21 ILE 20 1HG2 ILE 20 26.057 -4.966 -19.074
164 HG22 ILE 20 2HG2 ILE 20 24.894 -6.126 -19.713
165 HG23 ILE 20 3HG2 ILE 20 25.741 -5.033 -20.807
166 HD11 ILE 20 3HD1 ILE 20 21.836 -3.084 -19.717
167 HD12 ILE 20 1HD1 ILE 20 21.222 -4.658 -20.222
168 HD13 ILE 20 2HD1 ILE 20 20.978 -4.106 -18.564
169 H ALA 21 H ALA 21 23.822 -0.603 -19.438
170 HA ALA 21 HA ALA 21 25.962 -0.089 -21.391
171 HB1 ALA 21 1HB ALA 21 24.347 0.597 -22.745
172 HB2 ALA 21 2HB ALA 21 23.145 0.291 -21.491
173 HB3 ALA 21 3HB ALA 21 23.928 1.868 -21.597
174 HA PRO 22 HA PRO 22 27.649 3.258 -19.110
175 HB2 PRO 22 2HB PRO 22 28.035 5.174 -20.994
176 HB3 PRO 22 3HB PRO 22 29.010 3.702 -20.908
177 HG2 PRO 22 2HG PRO 22 26.682 4.331 -22.681
178 HG3 PRO 22 3HG PRO 22 28.213 3.533 -23.086
179 HD2 PRO 22 2HD PRO 22 25.921 2.155 -22.660
180 HD3 PRO 22 3HD PRO 22 27.520 1.500 -22.251
181 H GLU 23 H GLU 23 24.586 3.502 -20.448
182 HA GLU 23 HA GLU 23 23.977 6.226 -19.995
183 HB2 GLU 23 2HB GLU 23 22.372 3.734 -20.375
184 HB3 GLU 23 3HB GLU 23 21.563 5.183 -19.797
185 HG2 GLU 23 2HG GLU 23 21.431 5.955 -21.859
186 HG3 GLU 23 3HG GLU 23 23.187 5.901 -22.010
187 H ASN 24 H ASN 24 24.038 3.412 -17.930
188 HA ASN 24 HA ASN 24 22.470 4.212 -15.806
189 HB2 ASN 24 2HB ASN 24 24.267 2.147 -16.297
190 HB3 ASN 24 3HB ASN 24 24.944 2.973 -14.897
191 HD21 ASN 24 1HD2 ASN 24 21.746 1.984 -16.083
192 HD22 ASN 24 2HD2 ASN 24 21.207 1.325 -14.579
193 H GLY 25 H GLY 25 22.506 6.236 -15.015
194 HA2 GLY 25 2HA GLY 25 23.635 7.496 -13.207
195 HA3 GLY 25 3HA GLY 25 25.121 7.285 -14.122
196 H THR 26 H THR 26 23.007 7.737 -16.483
197 HA THR 26 HA THR 26 23.621 10.579 -16.671
198 HB THR 26 HB THR 26 24.004 8.982 -18.597
199 HG1 THR 26 HG1 THR 26 23.939 11.178 -19.034
200 HG21 THR 26 3HG2 THR 26 21.570 8.019 -18.132
201 HG22 THR 26 1HG2 THR 26 22.286 8.004 -19.743
202 HG23 THR 26 2HG2 THR 26 21.130 9.261 -19.303
203 H GLN 27 H GLN 27 20.885 8.438 -16.290
204 HA GLN 27 HA GLN 27 19.085 10.769 -16.298
205 HB2 GLN 27 2HB GLN 27 18.854 8.143 -17.458
206 HB3 GLN 27 3HB GLN 27 17.553 8.405 -16.305
207 HG2 GLN 27 2HG GLN 27 17.309 10.688 -17.554
208 HG3 GLN 27 3HG GLN 27 18.152 9.833 -18.845
209 HE21 GLN 27 1HE2 GLN 27 17.108 8.251 -19.974
210 HE22 GLN 27 2HE2 GLN 27 15.425 7.907 -19.796
211 H THR 28 H THR 28 20.725 8.788 -14.256
212 HA THR 28 HA THR 28 19.043 7.864 -12.320
213 HB THR 28 HB THR 28 21.351 7.459 -12.016
214 HG1 THR 28 HG1 THR 28 21.311 7.731 -9.905
215 HG21 THR 28 3HG2 THR 28 23.016 9.198 -11.677
216 HG22 THR 28 1HG2 THR 28 21.772 10.443 -11.794
217 HG23 THR 28 2HG2 THR 28 22.174 9.460 -13.203
218 HA PRO 29 HA PRO 29 16.894 11.290 -10.590
219 HB2 PRO 29 2HB PRO 29 16.401 10.313 -8.105
220 HB3 PRO 29 3HB PRO 29 15.555 9.740 -9.548
221 HG2 PRO 29 2HG PRO 29 17.873 8.518 -8.100
222 HG3 PRO 29 3HG PRO 29 16.430 7.732 -8.766
223 HD2 PRO 29 2HD PRO 29 18.818 7.713 -10.041
224 HD3 PRO 29 3HD PRO 29 17.271 7.723 -10.912
225 H SER 30 H SER 30 19.291 12.221 -10.712
226 HA SER 30 HA SER 30 20.860 12.448 -8.421
227 HB2 SER 30 2HB SER 30 21.115 14.897 -9.759
228 HB3 SER 30 3HB SER 30 22.114 13.461 -9.981
229 HG SER 30 HG SER 30 21.291 13.320 -11.897
230 HA PRO 31 HA PRO 31 18.717 15.124 -5.682
231 HB2 PRO 31 2HB PRO 31 20.770 16.518 -4.579
232 HB3 PRO 31 3HB PRO 31 20.455 14.818 -4.210
233 HG2 PRO 31 2HG PRO 31 22.443 16.008 -6.105
234 HG3 PRO 31 3HG PRO 31 22.651 14.670 -4.960
235 HD2 PRO 31 2HD PRO 31 22.235 14.272 -7.606
236 HD3 PRO 31 3HD PRO 31 21.647 13.144 -6.367
237 HA PRO 32 HA PRO 32 18.006 19.111 -7.394
238 HB2 PRO 32 2HB PRO 32 17.561 20.640 -5.195
239 HB3 PRO 32 3HB PRO 32 16.410 19.429 -5.772
240 HG2 PRO 32 2HG PRO 32 18.423 19.228 -3.566
241 HG3 PRO 32 3HG PRO 32 16.740 18.670 -3.599
242 HD2 PRO 32 2HD PRO 32 18.837 16.999 -3.981
243 HD3 PRO 32 3HD PRO 32 17.265 16.756 -4.771
244 H SER 33 H SER 33 20.341 19.048 -4.733
245 HA SER 33 HA SER 33 21.484 21.569 -5.131
246 HB2 SER 33 2HB SER 33 23.032 20.938 -3.564
247 HB3 SER 33 3HB SER 33 21.846 19.663 -3.286
248 HG SER 33 HG SER 33 24.015 18.885 -3.547
249 H GLU 34 H GLU 34 21.892 18.572 -6.843
250 HA GLU 34 HA GLU 34 24.131 19.690 -8.375
251 HB2 GLU 34 2HB GLU 34 23.570 17.097 -7.409
252 HB3 GLU 34 3HB GLU 34 23.434 17.014 -9.159
253 HG2 GLU 34 2HG GLU 34 25.636 17.294 -9.478
254 HG3 GLU 34 3HG GLU 34 25.788 18.456 -8.162
255 H LYS 35 H LYS 35 20.795 18.785 -8.599
256 HA LYS 35 HA LYS 35 19.244 18.958 -10.254
257 HB2 LYS 35 2HB LYS 35 19.968 21.295 -10.269
258 HB3 LYS 35 3HB LYS 35 21.263 20.901 -11.392
259 HG2 LYS 35 2HG LYS 35 19.506 21.907 -12.634
260 HG3 LYS 35 3HG LYS 35 19.522 20.187 -13.032
261 HD2 LYS 35 2HD LYS 35 17.530 19.790 -11.997
262 HD3 LYS 35 3HD LYS 35 17.780 21.056 -10.792
263 HE2 LYS 35 2HE LYS 35 17.277 21.686 -13.686
264 HE3 LYS 35 3HE LYS 35 15.957 21.430 -12.546
265 HZ1 LYS 35 3HZ LYS 35 16.272 23.700 -12.473
266 HZ2 LYS 35 1HZ LYS 35 17.955 23.594 -12.607
267 HZ3 LYS 35 2HZ LYS 35 17.195 23.186 -11.152