Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
7996 | 1lbj RC | 5454 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H PHE 1 H1 PHE 1 0.628 8.560 -1.953
2 2H PHE 1 H2 PHE 1 0.009 8.933 -0.464
3 3H PHE 1 H3 PHE 1 -0.895 8.073 -1.530
4 HA PHE 1 HA PHE 1 0.555 6.231 -1.413
5 1HB PHE 1 HB2 PHE 1 2.377 6.254 0.317
6 2HB PHE 1 HB3 PHE 1 2.656 7.269 -1.087
7 HD1 PHE 1 HD1 PHE 1 1.386 7.464 2.476
8 HD2 PHE 1 HD2 PHE 1 3.341 9.501 -0.790
9 HE1 PHE 1 HE1 PHE 1 1.798 9.413 3.934
10 HE2 PHE 1 HE2 PHE 1 3.799 11.426 0.699
11 HZ PHE 1 HZ PHE 1 3.023 11.391 3.059
12 H VAL 2 H VAL 2 0.403 4.603 0.284
13 HA VAL 2 HA VAL 2 -1.682 5.185 2.305
14 HB VAL 2 HB VAL 2 -0.332 2.568 1.532
15 1HG1 VAL 2 HG11 VAL 2 -1.191 2.575 3.868
16 2HG1 VAL 2 HG12 VAL 2 -2.768 3.144 3.284
17 3HG1 VAL 2 HG13 VAL 2 -2.172 1.538 2.825
18 1HG2 VAL 2 HG21 VAL 2 -2.524 2.044 0.472
19 2HG2 VAL 2 HG22 VAL 2 -3.072 3.700 0.800
20 3HG2 VAL 2 HG23 VAL 2 -1.727 3.406 -0.323
21 HA PRO 3 HA PRO 3 2.009 5.674 4.912
22 1HB PRO 3 HB2 PRO 3 0.898 6.582 7.223
23 2HB PRO 3 HB3 PRO 3 0.867 7.547 5.725
24 1HG PRO 3 HG2 PRO 3 -1.323 5.731 6.773
25 2HG PRO 3 HG3 PRO 3 -1.473 7.445 6.288
26 1HD PRO 3 HD2 PRO 3 -2.061 5.390 4.583
27 2HD PRO 3 HD3 PRO 3 -1.298 6.897 3.989
28 H ILE 4 H ILE 4 1.676 3.149 4.445
29 HA ILE 4 HA ILE 4 0.306 1.439 6.020
30 HB ILE 4 HB ILE 4 2.576 -0.094 5.455
31 1HG1 ILE 4 HG12 ILE 4 3.323 0.406 3.233
32 2HG1 ILE 4 HG13 ILE 4 2.354 1.863 3.133
33 1HG2 ILE 4 HG21 ILE 4 1.313 -0.872 3.516
34 2HG2 ILE 4 HG22 ILE 4 0.254 -0.634 4.914
35 3HG2 ILE 4 HG23 ILE 4 0.270 0.561 3.597
36 1HD1 ILE 4 HD11 ILE 4 4.739 1.419 4.988
37 2HD1 ILE 4 HD12 ILE 4 3.852 2.953 4.822
38 3HD1 ILE 4 HD13 ILE 4 4.747 2.315 3.461
39 H PHE 5 H PHE 5 3.638 2.257 6.646
40 HA PHE 5 HA PHE 5 3.098 2.034 9.556
41 1HB PHE 5 HB2 PHE 5 5.375 1.094 9.933
42 2HB PHE 5 HB3 PHE 5 4.221 -0.022 9.232
43 HD1 PHE 5 HD1 PHE 5 7.370 1.781 8.691
44 HD2 PHE 5 HD2 PHE 5 4.466 -0.878 6.945
45 HE1 PHE 5 HE1 PHE 5 8.993 1.172 6.908
46 HE2 PHE 5 HE2 PHE 5 6.093 -1.497 5.179
47 HZ PHE 5 HZ PHE 5 8.354 -0.464 5.151
48 H THR 6 H THR 6 2.843 4.110 7.821
49 HA THR 6 HA THR 6 3.389 6.310 7.618
50 HB THR 6 HB THR 6 6.068 6.042 9.002
51 HG1 THR 6 HG1 THR 6 4.806 5.147 10.466
52 1HG2 THR 6 HG21 THR 6 5.568 8.329 9.692
53 2HG2 THR 6 HG22 THR 6 5.467 8.195 7.926
54 3HG2 THR 6 HG23 THR 6 3.980 8.256 8.905
55 H TYR 7 H TYR 7 3.735 6.548 5.467
56 HA TYR 7 HA TYR 7 5.263 4.872 3.892
57 1HB TYR 7 HB2 TYR 7 3.511 6.244 2.981
58 2HB TYR 7 HB3 TYR 7 4.387 7.728 3.390
59 HD1 TYR 7 HD1 TYR 7 5.877 8.705 1.812
60 HD2 TYR 7 HD2 TYR 7 4.660 4.595 1.326
61 HE1 TYR 7 HE1 TYR 7 7.192 8.558 -0.283
62 HE2 TYR 7 HE2 TYR 7 5.967 4.458 -0.770
63 HH TYR 7 HH TYR 7 7.392 5.558 -2.210
64 H GLY 8 H GLY 8 6.274 7.940 5.321
65 1HA GLY 8 HA2 GLY 8 8.750 8.398 4.154
66 2HA GLY 8 HA3 GLY 8 8.379 8.710 5.858
67 H GLU 9 H GLU 9 7.953 5.955 6.688
68 HA GLU 9 HA GLU 9 10.719 5.240 7.194
69 1HB GLU 9 HB2 GLU 9 8.093 3.830 7.809
70 2HB GLU 9 HB3 GLU 9 9.690 3.292 8.353
71 1HG GLU 9 HG2 GLU 9 10.020 5.381 9.601
72 2HG GLU 9 HG3 GLU 9 8.477 6.016 9.014
73 H LEU 10 H LEU 10 8.071 3.944 5.145
74 HA LEU 10 HA LEU 10 9.540 1.680 4.177
75 1HB LEU 10 HB2 LEU 10 7.116 1.925 4.003
76 2HB LEU 10 HB3 LEU 10 7.277 3.224 2.821
77 HG LEU 10 HG LEU 10 8.609 0.547 2.296
78 1HD1 LEU 10 HD11 LEU 10 6.272 0.020 2.969
79 2HD1 LEU 10 HD12 LEU 10 5.681 1.130 1.710
80 3HD1 LEU 10 HD13 LEU 10 6.588 -0.326 1.263
81 1HD2 LEU 10 HD21 LEU 10 9.032 2.357 0.631
82 2HD2 LEU 10 HD22 LEU 10 8.019 1.102 -0.069
83 3HD2 LEU 10 HD23 LEU 10 7.286 2.622 0.475
84 H GLN 11 H GLN 11 9.131 5.021 2.941
85 HA GLN 11 HA GLN 11 10.755 4.692 0.655
86 1HB GLN 11 HB2 GLN 11 9.170 6.661 1.422
87 2HB GLN 11 HB3 GLN 11 10.646 7.343 2.112
88 1HG GLN 11 HG2 GLN 11 10.131 6.526 -0.792
89 2HG GLN 11 HG3 GLN 11 10.210 8.177 -0.179
90 1HE2 GLN 11 HE22 GLN 11 12.398 8.696 1.015
91 2HE2 GLN 11 HE21 GLN 11 13.838 8.148 0.182
92 H ARG 12 H ARG 12 11.622 5.769 4.001
93 HA ARG 12 HA ARG 12 14.376 6.138 3.537
94 1HB ARG 12 HB2 ARG 12 13.218 6.776 5.629
95 2HB ARG 12 HB3 ARG 12 13.032 5.064 6.051
96 1HG ARG 12 HG2 ARG 12 15.529 4.815 6.008
97 2HG ARG 12 HG3 ARG 12 15.674 6.542 5.659
98 1HD ARG 12 HD2 ARG 12 14.632 7.110 7.789
99 2HD ARG 12 HD3 ARG 12 14.275 5.421 8.143
100 HE ARG 12 HE ARG 12 16.785 6.828 8.494
101 1HH1 ARG 12 HH11 ARG 12 15.410 3.631 7.888
102 2HH1 ARG 12 HH12 ARG 12 16.751 2.760 8.584
103 1HH2 ARG 12 HH21 ARG 12 18.552 5.710 9.392
104 2HH2 ARG 12 HH22 ARG 12 18.575 3.969 9.445
105 H MET 13 H MET 13 12.637 3.125 4.524
106 HA MET 13 HA MET 13 14.900 1.459 4.626
107 1HB MET 13 HB2 MET 13 12.709 0.814 5.505
108 2HB MET 13 HB3 MET 13 12.016 0.794 3.884
109 1HG MET 13 HG2 MET 13 12.533 -1.471 4.712
110 2HG MET 13 HG3 MET 13 13.372 -1.078 3.219
111 1HE MET 13 HE1 MET 13 13.701 -1.612 7.082
112 2HE MET 13 HE2 MET 13 15.445 -1.370 7.341
113 3HE MET 13 HE3 MET 13 14.416 0.014 6.915
114 H GLN 14 H GLN 14 12.661 2.008 1.872
115 HA GLN 14 HA GLN 14 13.970 0.525 -0.118
116 1HB GLN 14 HB2 GLN 14 11.783 1.554 -0.441
117 2HB GLN 14 HB3 GLN 14 12.453 3.170 -0.219
118 1HG GLN 14 HG2 GLN 14 13.781 2.909 -2.327
119 2HG GLN 14 HG3 GLN 14 13.042 1.313 -2.546
120 1HE2 GLN 14 HE22 GLN 14 12.149 4.834 -2.018
121 2HE2 GLN 14 HE21 GLN 14 10.748 4.724 -3.063
122 H GLU 15 H GLU 15 14.515 3.933 0.815
123 HA GLU 15 HA GLU 15 16.517 4.489 -1.085
124 1HB GLU 15 HB2 GLU 15 15.148 6.090 0.259
125 2HB GLU 15 HB3 GLU 15 16.159 5.743 1.672
126 1HG GLU 15 HG2 GLU 15 18.140 6.604 0.464
127 2HG GLU 15 HG3 GLU 15 17.162 6.849 -0.994
128 H LYS 16 H LYS 16 16.757 3.215 2.274
129 HA LYS 16 HA LYS 16 19.623 3.163 2.235
130 1HB LYS 16 HB2 LYS 16 17.596 1.702 3.951
131 2HB LYS 16 HB3 LYS 16 19.335 1.609 4.238
132 1HG LYS 16 HG2 LYS 16 18.011 4.337 4.084
133 2HG LYS 16 HG3 LYS 16 17.801 3.347 5.520
134 1HD LYS 16 HD2 LYS 16 19.623 4.917 5.824
135 2HD LYS 16 HD3 LYS 16 20.203 3.250 5.925
136 1HE LYS 16 HE2 LYS 16 21.204 3.388 3.716
137 2HE LYS 16 HE3 LYS 16 20.429 4.966 3.406
138 1HZ LYS 16 HZ1 LYS 16 21.777 5.877 5.133
139 2HZ LYS 16 HZ2 LYS 16 22.487 4.412 5.414
140 3HZ LYS 16 HZ3 LYS 16 22.696 5.167 3.960
141 H GLU 17 H GLU 17 17.153 0.693 1.401
142 HA GLU 17 HA GLU 17 19.011 -1.415 0.873
143 1HB GLU 17 HB2 GLU 17 16.292 -0.769 -0.332
144 2HB GLU 17 HB3 GLU 17 17.204 -2.243 -0.687
145 1HG GLU 17 HG2 GLU 17 17.190 -2.917 1.650
146 2HG GLU 17 HG3 GLU 17 16.420 -1.408 2.144
147 H ARG 18 H ARG 18 17.740 1.200 -1.252
148 HA ARG 18 HA ARG 18 19.332 0.536 -3.528
149 1HB ARG 18 HB2 ARG 18 18.194 3.195 -2.576
150 2HB ARG 18 HB3 ARG 18 19.100 2.977 -4.075
151 1HG ARG 18 HG2 ARG 18 17.434 1.210 -4.779
152 2HG ARG 18 HG3 ARG 18 16.486 1.571 -3.328
153 1HD ARG 18 HD2 ARG 18 15.592 2.768 -5.282
154 2HD ARG 18 HD3 ARG 18 16.236 3.922 -4.088
155 HE ARG 18 HE ARG 18 18.293 3.227 -5.953
156 1HH1 ARG 18 HH21 ARG 18 15.295 5.095 -5.875
157 2HH1 ARG 18 HH22 ARG 18 15.854 6.272 -7.035
158 1HH2 ARG 18 HH11 ARG 18 19.037 4.682 -7.337
159 2HH2 ARG 18 HH12 ARG 18 18.068 6.021 -7.946
160 H ASN 19 H ASN 19 20.058 2.703 -0.747
161 HA ASN 19 HA ASN 19 22.568 3.607 -1.595
162 1HB ASN 19 HB2 ASN 19 21.287 4.417 0.394
163 2HB ASN 19 HB3 ASN 19 21.749 2.948 1.260
164 1HD2 ASN 19 HD22 ASN 19 24.601 3.519 -0.391
165 2HD2 ASN 19 HD21 ASN 19 25.299 4.637 0.759
166 H LYS 20 H LYS 20 21.738 0.585 0.178
167 HA LYS 20 HA LYS 20 24.471 -0.353 0.343
168 1HB LYS 20 HB2 LYS 20 21.801 -1.812 0.470
169 2HB LYS 20 HB3 LYS 20 23.374 -2.564 0.780
170 1HG LYS 20 HG2 LYS 20 23.800 -1.045 2.649
171 2HG LYS 20 HG3 LYS 20 22.287 -0.176 2.339
172 1HD LYS 20 HD2 LYS 20 20.994 -2.254 2.756
173 2HD LYS 20 HD3 LYS 20 22.506 -3.126 3.088
174 1HE LYS 20 HE2 LYS 20 22.972 -1.576 4.986
175 2HE LYS 20 HE3 LYS 20 21.457 -0.714 4.650
176 1HZ LYS 20 HZ1 LYS 20 20.279 -2.739 5.107
177 2HZ LYS 20 HZ2 LYS 20 21.686 -3.540 5.417
178 3HZ LYS 20 HZ3 LYS 20 21.206 -2.306 6.398
179 H GLY 21 H GLY 21 21.780 -1.028 -1.935
180 1HA GLY 21 HA2 GLY 21 23.094 -3.020 -3.435
181 2HA GLY 21 HA3 GLY 21 21.722 -2.043 -3.977
182 H GLN 22 H GLN 22 22.775 0.498 -4.121
183 HA GLN 22 HA GLN 22 24.267 0.296 -6.627
184 1HB GLN 22 HB2 GLN 22 23.267 2.706 -5.047
185 2HB GLN 22 HB3 GLN 22 24.034 2.751 -6.642
186 1HG GLN 22 HG2 GLN 22 22.191 1.255 -7.513
187 2HG GLN 22 HG3 GLN 22 21.401 1.364 -5.934
188 1HE2 GLN 22 HE22 GLN 22 22.948 3.726 -8.219
189 2HE2 GLN 22 HE21 GLN 22 21.592 4.833 -8.212
Start of MODEL 2
1 1H PHE 1 H1 PHE 1 0.524 5.303 -2.516
2 2H PHE 1 H2 PHE 1 1.146 6.719 -3.095
3 3H PHE 1 H3 PHE 1 -0.408 6.659 -2.531
4 HA PHE 1 HA PHE 1 1.987 6.239 -0.915
5 1HB PHE 1 HB2 PHE 1 1.739 8.571 -1.655
6 2HB PHE 1 HB3 PHE 1 0.089 8.609 -1.046
7 HD1 PHE 1 HD1 PHE 1 -0.360 8.582 1.422
8 HD2 PHE 1 HD2 PHE 1 3.642 8.830 -0.171
9 HE1 PHE 1 HE1 PHE 1 0.473 9.347 3.625
10 HE2 PHE 1 HE2 PHE 1 4.444 9.703 2.006
11 HZ PHE 1 HZ PHE 1 2.875 9.910 3.922
12 H VAL 2 H VAL 2 1.544 4.977 0.835
13 HA VAL 2 HA VAL 2 -1.067 5.268 2.193
14 HB VAL 2 HB VAL 2 0.276 2.589 1.644
15 1HG1 VAL 2 HG11 VAL 2 -2.340 3.293 3.055
16 2HG1 VAL 2 HG12 VAL 2 -1.728 1.658 2.745
17 3HG1 VAL 2 HG13 VAL 2 -0.864 2.726 3.859
18 1HG2 VAL 2 HG21 VAL 2 -1.802 2.078 0.362
19 2HG2 VAL 2 HG22 VAL 2 -2.306 3.773 0.530
20 3HG2 VAL 2 HG23 VAL 2 -0.848 3.354 -0.398
21 HA PRO 3 HA PRO 3 2.360 5.810 5.064
22 1HB PRO 3 HB2 PRO 3 1.102 6.960 7.185
23 2HB PRO 3 HB3 PRO 3 1.225 7.780 5.609
24 1HG PRO 3 HG2 PRO 3 -1.103 6.127 6.633
25 2HG PRO 3 HG3 PRO 3 -1.156 7.792 5.983
26 1HD PRO 3 HD2 PRO 3 -1.670 5.596 4.431
27 2HD PRO 3 HD3 PRO 3 -0.827 7.028 3.768
28 H ILE 4 H ILE 4 1.917 3.238 4.791
29 HA ILE 4 HA ILE 4 0.394 1.792 6.513
30 HB ILE 4 HB ILE 4 2.564 0.063 6.193
31 1HG1 ILE 4 HG12 ILE 4 3.341 0.244 3.917
32 2HG1 ILE 4 HG13 ILE 4 2.520 1.777 3.676
33 1HG2 ILE 4 HG21 ILE 4 0.337 0.631 4.214
34 2HG2 ILE 4 HG22 ILE 4 1.280 -0.867 4.339
35 3HG2 ILE 4 HG23 ILE 4 0.216 -0.386 5.669
36 1HD1 ILE 4 HD11 ILE 4 4.971 1.954 3.999
37 2HD1 ILE 4 HD12 ILE 4 4.108 2.880 5.221
38 3HD1 ILE 4 HD13 ILE 4 4.812 1.296 5.633
39 H PHE 5 H PHE 5 3.757 2.524 7.134
40 HA PHE 5 HA PHE 5 3.119 2.665 10.024
41 1HB PHE 5 HB2 PHE 5 5.362 1.690 10.574
42 2HB PHE 5 HB3 PHE 5 4.140 0.560 10.029
43 HD1 PHE 5 HD1 PHE 5 4.345 -0.672 7.936
44 HD2 PHE 5 HD2 PHE 5 7.371 2.123 9.198
45 HE1 PHE 5 HE1 PHE 5 5.954 -1.701 6.355
46 HE2 PHE 5 HE2 PHE 5 8.983 1.083 7.611
47 HZ PHE 5 HZ PHE 5 8.283 -0.834 6.208
48 H THR 6 H THR 6 2.985 4.532 8.089
49 HA THR 6 HA THR 6 3.577 6.679 7.665
50 HB THR 6 HB THR 6 6.085 6.454 9.377
51 HG1 THR 6 HG1 THR 6 4.277 5.968 10.615
52 1HG2 THR 6 HG21 THR 6 4.386 8.815 8.478
53 2HG2 THR 6 HG22 THR 6 5.796 8.879 9.552
54 3HG2 THR 6 HG23 THR 6 6.003 8.400 7.859
55 H TYR 7 H TYR 7 4.024 6.709 5.540
56 HA TYR 7 HA TYR 7 5.596 4.796 4.297
57 1HB TYR 7 HB2 TYR 7 3.816 6.056 3.142
58 2HB TYR 7 HB3 TYR 7 4.814 7.510 3.207
59 HD1 TYR 7 HD1 TYR 7 6.223 7.996 1.344
60 HD2 TYR 7 HD2 TYR 7 4.953 3.929 2.020
61 HE1 TYR 7 HE1 TYR 7 7.527 7.256 -0.624
62 HE2 TYR 7 HE2 TYR 7 6.340 3.183 0.109
63 HH TYR 7 HH TYR 7 7.971 3.803 -1.431
64 H GLY 8 H GLY 8 6.599 7.966 5.453
65 1HA GLY 8 HA2 GLY 8 9.058 8.405 4.277
66 2HA GLY 8 HA3 GLY 8 8.715 8.696 5.990
67 H GLU 9 H GLU 9 8.296 5.931 6.784
68 HA GLU 9 HA GLU 9 11.043 5.172 7.273
69 1HB GLU 9 HB2 GLU 9 8.456 3.603 7.642
70 2HB GLU 9 HB3 GLU 9 10.027 3.229 8.380
71 1HG GLU 9 HG2 GLU 9 8.306 5.698 8.927
72 2HG GLU 9 HG3 GLU 9 8.520 4.310 9.989
73 H LEU 10 H LEU 10 8.421 3.820 5.279
74 HA LEU 10 HA LEU 10 9.856 1.636 4.164
75 1HB LEU 10 HB2 LEU 10 7.322 2.205 4.238
76 2HB LEU 10 HB3 LEU 10 7.622 3.203 2.821
77 HG LEU 10 HG LEU 10 6.707 1.156 2.108
78 1HD1 LEU 10 HD11 LEU 10 8.679 2.032 0.804
79 2HD1 LEU 10 HD12 LEU 10 9.654 0.737 1.549
80 3HD1 LEU 10 HD13 LEU 10 8.265 0.327 0.534
81 1HD2 LEU 10 HD21 LEU 10 7.621 -1.063 2.605
82 2HD2 LEU 10 HD22 LEU 10 8.842 -0.350 3.674
83 3HD2 LEU 10 HD23 LEU 10 7.111 -0.220 4.075
84 H GLN 11 H GLN 11 9.336 4.991 3.065
85 HA GLN 11 HA GLN 11 10.774 4.903 0.654
86 1HB GLN 11 HB2 GLN 11 9.244 6.728 1.520
87 2HB GLN 11 HB3 GLN 11 10.571 7.278 2.551
88 1HG GLN 11 HG2 GLN 11 11.969 7.653 0.517
89 2HG GLN 11 HG3 GLN 11 10.654 7.028 -0.492
90 1HE2 GLN 11 HE22 GLN 11 11.246 9.552 2.044
91 2HE2 GLN 11 HE21 GLN 11 10.197 10.737 1.284
92 H ARG 12 H ARG 12 11.908 5.805 3.991
93 HA ARG 12 HA ARG 12 14.602 6.198 3.260
94 1HB ARG 12 HB2 ARG 12 13.596 6.833 5.438
95 2HB ARG 12 HB3 ARG 12 13.580 5.122 5.916
96 1HG ARG 12 HG2 ARG 12 16.036 5.020 5.682
97 2HG ARG 12 HG3 ARG 12 16.072 6.684 5.074
98 1HD ARG 12 HD2 ARG 12 16.762 6.618 7.398
99 2HD ARG 12 HD3 ARG 12 15.272 7.528 7.254
100 HE ARG 12 HE ARG 12 15.709 4.834 8.448
101 1HH1 ARG 12 HH21 ARG 12 13.313 7.320 7.641
102 2HH1 ARG 12 HH22 ARG 12 12.173 6.803 8.852
103 1HH2 ARG 12 HH11 ARG 12 14.201 4.104 9.959
104 2HH2 ARG 12 HH12 ARG 12 12.658 4.896 10.142
105 H MET 13 H MET 13 12.905 3.165 4.209
106 HA MET 13 HA MET 13 15.168 1.450 4.037
107 1HB MET 13 HB2 MET 13 12.238 0.861 3.484
108 2HB MET 13 HB3 MET 13 13.511 -0.355 3.569
109 1HG MET 13 HG2 MET 13 13.915 0.047 5.868
110 2HG MET 13 HG3 MET 13 13.055 1.582 5.859
111 1HE MET 13 HE1 MET 13 11.717 -1.806 4.262
112 2HE MET 13 HE2 MET 13 12.658 -2.316 5.690
113 3HE MET 13 HE3 MET 13 10.887 -2.488 5.676
114 H GLN 14 H GLN 14 12.844 2.428 1.439
115 HA GLN 14 HA GLN 14 14.087 1.043 -0.701
116 1HB GLN 14 HB2 GLN 14 12.758 3.770 -0.711
117 2HB GLN 14 HB3 GLN 14 13.202 2.887 -2.167
118 1HG GLN 14 HG2 GLN 14 11.622 1.150 -1.759
119 2HG GLN 14 HG3 GLN 14 11.325 1.686 -0.109
120 1HE2 GLN 14 HE22 GLN 14 11.464 4.552 -1.960
121 2HE2 GLN 14 HE21 GLN 14 9.721 4.697 -2.146
122 H GLU 15 H GLU 15 14.807 4.353 0.554
123 HA GLU 15 HA GLU 15 16.947 4.865 -1.242
124 1HB GLU 15 HB2 GLU 15 16.737 5.879 1.629
125 2HB GLU 15 HB3 GLU 15 17.733 6.532 0.329
126 1HG GLU 15 HG2 GLU 15 14.722 6.686 0.607
127 2HG GLU 15 HG3 GLU 15 15.887 7.990 0.481
128 H LYS 16 H LYS 16 17.046 3.306 2.000
129 HA LYS 16 HA LYS 16 19.870 2.922 2.036
130 1HB LYS 16 HB2 LYS 16 17.600 1.395 3.361
131 2HB LYS 16 HB3 LYS 16 19.311 1.024 3.621
132 1HG LYS 16 HG2 LYS 16 19.752 3.284 4.417
133 2HG LYS 16 HG3 LYS 16 18.062 3.751 4.157
134 1HD LYS 16 HD2 LYS 16 17.293 2.087 5.781
135 2HD LYS 16 HD3 LYS 16 18.939 1.477 6.008
136 1HE LYS 16 HE2 LYS 16 18.025 4.316 6.685
137 2HE LYS 16 HE3 LYS 16 18.189 2.991 7.846
138 1HZ LYS 16 HZ1 LYS 16 20.514 2.880 7.296
139 2HZ LYS 16 HZ2 LYS 16 20.363 4.142 6.246
140 3HZ LYS 16 HZ3 LYS 16 20.102 4.374 7.854
141 H GLU 17 H GLU 17 17.255 0.764 0.798
142 HA GLU 17 HA GLU 17 18.987 -1.353 -0.001
143 1HB GLU 17 HB2 GLU 17 16.289 -0.468 -1.091
144 2HB GLU 17 HB3 GLU 17 17.124 -1.951 -1.577
145 1HG GLU 17 HG2 GLU 17 16.269 -1.306 1.284
146 2HG GLU 17 HG3 GLU 17 15.425 -2.380 0.169
147 H ARG 18 H ARG 18 17.726 1.428 -1.887
148 HA ARG 18 HA ARG 18 19.102 0.833 -4.281
149 1HB ARG 18 HB2 ARG 18 17.257 2.494 -3.961
150 2HB ARG 18 HB3 ARG 18 18.419 3.603 -3.207
151 1HG ARG 18 HG2 ARG 18 19.780 3.560 -5.312
152 2HG ARG 18 HG3 ARG 18 18.604 2.452 -6.036
153 1HD ARG 18 HD2 ARG 18 18.085 5.334 -5.166
154 2HD ARG 18 HD3 ARG 18 18.257 4.738 -6.805
155 HE ARG 18 HE ARG 18 16.194 3.666 -6.759
156 1HH1 ARG 18 HH21 ARG 18 16.785 5.289 -3.666
157 2HH1 ARG 18 HH22 ARG 18 15.103 5.396 -3.239
158 1HH2 ARG 18 HH11 ARG 18 14.004 3.721 -6.171
159 2HH2 ARG 18 HH12 ARG 18 13.506 4.434 -4.661
160 H ASN 19 H ASN 19 20.112 2.778 -1.450
161 HA ASN 19 HA ASN 19 22.583 3.676 -2.464
162 1HB ASN 19 HB2 ASN 19 21.593 4.678 -0.488
163 2HB ASN 19 HB3 ASN 19 21.690 3.146 0.393
164 1HD2 ASN 19 HD22 ASN 19 23.868 5.435 -1.401
165 2HD2 ASN 19 HD21 ASN 19 25.199 5.227 -0.278
166 H LYS 20 H LYS 20 21.928 0.747 -0.392
167 HA LYS 20 HA LYS 20 24.698 -0.029 -0.513
168 1HB LYS 20 HB2 LYS 20 24.098 -2.086 0.488
169 2HB LYS 20 HB3 LYS 20 23.219 -0.761 1.267
170 1HG LYS 20 HG2 LYS 20 21.188 -1.386 -0.003
171 2HG LYS 20 HG3 LYS 20 22.061 -2.674 -0.824
172 1HD LYS 20 HD2 LYS 20 20.734 -3.634 0.949
173 2HD LYS 20 HD3 LYS 20 22.454 -3.848 1.288
174 1HE LYS 20 HE2 LYS 20 21.173 -3.244 3.310
175 2HE LYS 20 HE3 LYS 20 22.386 -2.015 2.945
176 1HZ LYS 20 HZ1 LYS 20 20.635 -0.708 1.933
177 2HZ LYS 20 HZ2 LYS 20 19.521 -1.876 2.296
178 3HZ LYS 20 HZ3 LYS 20 20.283 -1.057 3.507
179 H GLY 21 H GLY 21 21.890 -0.764 -2.589
180 1HA GLY 21 HA2 GLY 21 23.073 -2.788 -4.183
181 2HA GLY 21 HA3 GLY 21 21.790 -1.674 -4.686
182 H GLN 22 H GLN 22 22.816 0.726 -4.795
183 HA GLN 22 HA GLN 22 23.650 1.997 -6.481
184 1HB GLN 22 HB2 GLN 22 26.017 2.570 -6.043
185 2HB GLN 22 HB3 GLN 22 24.975 2.535 -4.625
186 1HG GLN 22 HG2 GLN 22 25.896 0.286 -4.010
187 2HG GLN 22 HG3 GLN 22 26.973 0.362 -5.410
188 1HE2 GLN 22 HE22 GLN 22 26.010 2.174 -2.457
189 2HE2 GLN 22 HE21 GLN 22 27.626 2.801 -2.123
Start of MODEL 3
1 1H PHE 1 H1 PHE 1 -4.324 5.076 -1.247
2 2H PHE 1 H2 PHE 1 -2.952 4.174 -1.350
3 3H PHE 1 H3 PHE 1 -3.177 5.443 -2.383
4 HA PHE 1 HA PHE 1 -1.615 5.990 -0.668
5 1HB PHE 1 HB2 PHE 1 -3.056 7.731 -1.685
6 2HB PHE 1 HB3 PHE 1 -4.263 7.468 -0.433
7 HD1 PHE 1 HD1 PHE 1 -1.055 9.036 -1.268
8 HD2 PHE 1 HD2 PHE 1 -3.779 8.121 1.952
9 HE1 PHE 1 HE1 PHE 1 0.094 10.687 0.180
10 HE2 PHE 1 HE2 PHE 1 -2.606 9.753 3.402
11 HZ PHE 1 HZ PHE 1 -0.677 11.048 2.516
12 H VAL 2 H VAL 2 -0.963 5.480 1.366
13 HA VAL 2 HA VAL 2 -2.638 5.567 3.611
14 HB VAL 2 HB VAL 2 -3.582 3.490 2.976
15 1HG1 VAL 2 HG11 VAL 2 -0.835 2.210 2.783
16 2HG1 VAL 2 HG12 VAL 2 -2.406 1.433 2.573
17 3HG1 VAL 2 HG13 VAL 2 -1.865 2.642 1.404
18 1HG2 VAL 2 HG21 VAL 2 -3.125 3.797 5.353
19 2HG2 VAL 2 HG22 VAL 2 -3.065 2.089 4.886
20 3HG2 VAL 2 HG23 VAL 2 -1.560 2.979 5.181
21 HA PRO 3 HA PRO 3 1.789 6.019 4.636
22 1HB PRO 3 HB2 PRO 3 1.587 7.435 6.944
23 2HB PRO 3 HB3 PRO 3 1.125 8.144 5.375
24 1HG PRO 3 HG2 PRO 3 -0.702 6.854 7.419
25 2HG PRO 3 HG3 PRO 3 -0.880 8.462 6.662
26 1HD PRO 3 HD2 PRO 3 -2.163 6.235 5.723
27 2HD PRO 3 HD3 PRO 3 -1.578 7.512 4.611
28 H ILE 4 H ILE 4 1.139 3.531 4.795
29 HA ILE 4 HA ILE 4 0.216 2.262 6.992
30 HB ILE 4 HB ILE 4 2.203 0.458 6.111
31 1HG1 ILE 4 HG12 ILE 4 2.117 0.439 3.704
32 2HG1 ILE 4 HG13 ILE 4 1.251 1.965 3.652
33 1HG2 ILE 4 HG21 ILE 4 -0.590 0.832 5.003
34 2HG2 ILE 4 HG22 ILE 4 0.393 -0.643 4.947
35 3HG2 ILE 4 HG23 ILE 4 -0.164 -0.017 6.506
36 1HD1 ILE 4 HD11 ILE 4 3.626 2.156 3.074
37 2HD1 ILE 4 HD12 ILE 4 3.272 3.148 4.477
38 3HD1 ILE 4 HD13 ILE 4 4.091 1.578 4.689
39 H PHE 5 H PHE 5 3.626 2.796 6.443
40 HA PHE 5 HA PHE 5 4.128 2.513 9.405
41 1HB PHE 5 HB2 PHE 5 6.233 2.158 7.278
42 2HB PHE 5 HB3 PHE 5 6.262 1.624 8.951
43 HD1 PHE 5 HD1 PHE 5 3.838 0.054 9.325
44 HD2 PHE 5 HD2 PHE 5 6.366 0.325 5.836
45 HE1 PHE 5 HE1 PHE 5 2.976 -2.123 8.522
46 HE2 PHE 5 HE2 PHE 5 5.488 -1.846 5.035
47 HZ PHE 5 HZ PHE 5 3.786 -3.070 6.367
48 H THR 6 H THR 6 3.337 4.830 7.508
49 HA THR 6 HA THR 6 3.889 6.964 7.080
50 HB THR 6 HB THR 6 6.225 6.776 9.031
51 HG1 THR 6 HG1 THR 6 4.169 6.190 9.922
52 1HG2 THR 6 HG21 THR 6 4.571 9.118 8.002
53 2HG2 THR 6 HG22 THR 6 5.832 9.188 9.246
54 3HG2 THR 6 HG23 THR 6 6.266 8.772 7.579
55 H TYR 7 H TYR 7 4.472 7.083 5.034
56 HA TYR 7 HA TYR 7 6.049 5.558 3.535
57 1HB TYR 7 HB2 TYR 7 5.839 8.563 3.135
58 2HB TYR 7 HB3 TYR 7 6.199 7.370 1.892
59 HD1 TYR 7 HD1 TYR 7 3.599 9.273 3.390
60 HD2 TYR 7 HD2 TYR 7 4.401 5.441 1.574
61 HE1 TYR 7 HE1 TYR 7 1.217 9.059 2.789
62 HE2 TYR 7 HE2 TYR 7 2.001 5.228 0.982
63 HH TYR 7 HH TYR 7 -0.335 7.852 1.617
64 H GLY 8 H GLY 8 7.312 8.329 5.303
65 1HA GLY 8 HA2 GLY 8 9.902 8.699 4.491
66 2HA GLY 8 HA3 GLY 8 9.389 8.711 6.181
67 H GLU 9 H GLU 9 8.730 5.976 6.571
68 HA GLU 9 HA GLU 9 11.335 4.904 7.114
69 1HB GLU 9 HB2 GLU 9 8.620 3.505 7.010
70 2HB GLU 9 HB3 GLU 9 10.098 2.856 7.737
71 1HG GLU 9 HG2 GLU 9 8.569 5.336 8.662
72 2HG GLU 9 HG3 GLU 9 8.622 3.764 9.460
73 H LEU 10 H LEU 10 8.923 4.212 4.564
74 HA LEU 10 HA LEU 10 10.498 2.128 3.320
75 1HB LEU 10 HB2 LEU 10 8.277 3.865 2.173
76 2HB LEU 10 HB3 LEU 10 8.986 2.452 1.395
77 HG LEU 10 HG LEU 10 7.433 2.437 4.027
78 1HD1 LEU 10 HD11 LEU 10 6.736 1.462 1.223
79 2HD1 LEU 10 HD12 LEU 10 5.751 1.213 2.675
80 3HD1 LEU 10 HD13 LEU 10 6.021 2.857 2.062
81 1HD2 LEU 10 HD21 LEU 10 9.045 0.622 4.109
82 2HD2 LEU 10 HD22 LEU 10 7.484 -0.074 3.675
83 3HD2 LEU 10 HD23 LEU 10 8.710 0.176 2.418
84 H GLN 11 H GLN 11 10.287 5.681 2.945
85 HA GLN 11 HA GLN 11 11.965 5.778 0.615
86 1HB GLN 11 HB2 GLN 11 11.877 7.936 2.759
87 2HB GLN 11 HB3 GLN 11 12.354 8.069 1.068
88 1HG GLN 11 HG2 GLN 11 9.606 7.936 2.254
89 2HG GLN 11 HG3 GLN 11 10.260 9.023 1.047
90 1HE2 GLN 11 HE22 GLN 11 8.550 6.049 1.601
91 2HE2 GLN 11 HE21 GLN 11 8.336 5.630 -0.101
92 H ARG 12 H ARG 12 12.758 6.050 4.119
93 HA ARG 12 HA ARG 12 15.543 6.232 3.798
94 1HB ARG 12 HB2 ARG 12 14.238 6.603 5.902
95 2HB ARG 12 HB3 ARG 12 14.108 4.843 6.096
96 1HG ARG 12 HG2 ARG 12 16.621 4.701 6.068
97 2HG ARG 12 HG3 ARG 12 16.697 6.462 5.917
98 1HD ARG 12 HD2 ARG 12 15.569 4.889 8.282
99 2HD ARG 12 HD3 ARG 12 17.096 5.747 8.215
100 HE ARG 12 HE ARG 12 16.065 7.828 8.276
101 1HH1 ARG 12 HH21 ARG 12 13.612 5.264 8.359
102 2HH1 ARG 12 HH22 ARG 12 12.389 6.289 9.062
103 1HH2 ARG 12 HH11 ARG 12 14.438 9.165 9.128
104 2HH2 ARG 12 HH12 ARG 12 12.848 8.526 9.454
105 H MET 13 H MET 13 13.487 3.291 4.157
106 HA MET 13 HA MET 13 15.573 1.372 4.017
107 1HB MET 13 HB2 MET 13 12.668 1.265 3.138
108 2HB MET 13 HB3 MET 13 13.742 -0.141 3.127
109 1HG MET 13 HG2 MET 13 14.015 -0.117 5.483
110 2HG MET 13 HG3 MET 13 13.370 1.512 5.646
111 1HE MET 13 HE1 MET 13 11.726 -1.401 3.495
112 2HE MET 13 HE2 MET 13 12.480 -2.231 4.882
113 3HE MET 13 HE3 MET 13 10.707 -2.149 4.744
114 H GLN 14 H GLN 14 13.661 2.861 1.346
115 HA GLN 14 HA GLN 14 14.933 1.483 -0.766
116 1HB GLN 14 HB2 GLN 14 12.843 2.852 -0.935
117 2HB GLN 14 HB3 GLN 14 13.800 4.318 -0.753
118 1HG GLN 14 HG2 GLN 14 13.276 3.953 -3.097
119 2HG GLN 14 HG3 GLN 14 15.017 3.841 -2.841
120 1HE2 GLN 14 HE22 GLN 14 12.266 1.488 -2.473
121 2HE2 GLN 14 HE21 GLN 14 13.010 0.273 -3.501
122 H GLU 15 H GLU 15 15.746 4.636 0.745
123 HA GLU 15 HA GLU 15 18.011 5.266 -0.829
124 1HB GLU 15 HB2 GLU 15 17.330 5.912 2.065
125 2HB GLU 15 HB3 GLU 15 18.695 6.623 1.201
126 1HG GLU 15 HG2 GLU 15 17.298 7.767 -0.343
127 2HG GLU 15 HG3 GLU 15 15.874 6.814 0.071
128 H LYS 16 H LYS 16 17.818 3.416 2.262
129 HA LYS 16 HA LYS 16 20.605 2.847 2.461
130 1HB LYS 16 HB2 LYS 16 18.150 1.371 3.478
131 2HB LYS 16 HB3 LYS 16 19.815 0.894 3.852
132 1HG LYS 16 HG2 LYS 16 20.271 3.001 4.954
133 2HG LYS 16 HG3 LYS 16 18.753 3.695 4.402
134 1HD LYS 16 HD2 LYS 16 18.592 3.057 6.761
135 2HD LYS 16 HD3 LYS 16 17.443 2.162 5.760
136 1HE LYS 16 HE2 LYS 16 18.511 0.729 7.474
137 2HE LYS 16 HE3 LYS 16 18.857 0.154 5.840
138 1HZ LYS 16 HZ1 LYS 16 20.995 1.214 5.989
139 2HZ LYS 16 HZ2 LYS 16 20.662 1.776 7.504
140 3HZ LYS 16 HZ3 LYS 16 20.794 0.155 7.235
141 H GLU 17 H GLU 17 17.935 0.959 0.960
142 HA GLU 17 HA GLU 17 19.448 -1.239 0.088
143 1HB GLU 17 HB2 GLU 17 16.982 -1.063 0.059
144 2HB GLU 17 HB3 GLU 17 17.054 0.046 -1.310
145 1HG GLU 17 HG2 GLU 17 18.221 -2.779 -1.375
146 2HG GLU 17 HG3 GLU 17 16.550 -2.405 -1.813
147 H ARG 18 H ARG 18 18.749 1.841 -1.662
148 HA ARG 18 HA ARG 18 20.390 1.107 -3.873
149 1HB ARG 18 HB2 ARG 18 19.430 3.827 -2.942
150 2HB ARG 18 HB3 ARG 18 20.221 3.552 -4.497
151 1HG ARG 18 HG2 ARG 18 17.644 2.110 -3.714
152 2HG ARG 18 HG3 ARG 18 17.668 3.705 -4.456
153 1HD ARG 18 HD2 ARG 18 17.274 2.150 -6.179
154 2HD ARG 18 HD3 ARG 18 18.898 2.775 -6.430
155 HE ARG 18 HE ARG 18 18.093 0.113 -5.274
156 1HH1 ARG 18 HH21 ARG 18 20.673 2.005 -6.912
157 2HH1 ARG 18 HH22 ARG 18 21.795 0.659 -6.779
158 1HH2 ARG 18 HH11 ARG 18 19.635 -1.573 -5.267
159 2HH2 ARG 18 HH12 ARG 18 21.203 -1.289 -6.015
160 H ASN 19 H ASN 19 21.154 2.963 -0.953
161 HA ASN 19 HA ASN 19 23.792 3.712 -1.688
162 1HB ASN 19 HB2 ASN 19 22.740 4.635 0.295
163 2HB ASN 19 HB3 ASN 19 22.578 3.029 1.017
164 1HD2 ASN 19 HD22 ASN 19 25.203 5.127 -0.374
165 2HD2 ASN 19 HD21 ASN 19 26.364 4.686 0.866
166 H LYS 20 H LYS 20 22.552 0.694 -0.180
167 HA LYS 20 HA LYS 20 25.129 -0.588 -0.008
168 1HB LYS 20 HB2 LYS 20 22.286 -1.666 -0.100
169 2HB LYS 20 HB3 LYS 20 23.730 -2.673 0.154
170 1HG LYS 20 HG2 LYS 20 24.247 -1.626 2.224
171 2HG LYS 20 HG3 LYS 20 23.168 -0.267 1.916
172 1HD LYS 20 HD2 LYS 20 22.226 -1.727 3.592
173 2HD LYS 20 HD3 LYS 20 21.184 -1.659 2.173
174 1HE LYS 20 HE2 LYS 20 23.202 -3.917 2.581
175 2HE LYS 20 HE3 LYS 20 21.599 -3.952 3.329
176 1HZ LYS 20 HZ1 LYS 20 20.614 -3.777 1.180
177 2HZ LYS 20 HZ2 LYS 20 22.085 -3.773 0.448
178 3HZ LYS 20 HZ3 LYS 20 21.587 -5.103 1.276
179 H GLY 21 H GLY 21 22.414 -1.172 -2.320
180 1HA GLY 21 HA2 GLY 21 24.178 -2.644 -4.152
181 2HA GLY 21 HA3 GLY 21 22.446 -2.325 -4.323
182 H GLN 22 H GLN 22 25.330 -0.216 -3.959
183 HA GLN 22 HA GLN 22 24.230 1.822 -5.593
184 1HB GLN 22 HB2 GLN 22 25.876 2.231 -3.828
185 2HB GLN 22 HB3 GLN 22 27.104 1.320 -4.717
186 1HG GLN 22 HG2 GLN 22 27.448 3.728 -4.911
187 2HG GLN 22 HG3 GLN 22 27.113 3.039 -6.496
188 1HE2 GLN 22 HE22 GLN 22 24.892 3.364 -7.403
189 2HE2 GLN 22 HE21 GLN 22 24.002 4.796 -6.887
Start of MODEL 4
1 1H PHE 1 H1 PHE 1 -2.360 7.423 0.657
2 2H PHE 1 H2 PHE 1 -1.504 6.873 -0.642
3 3H PHE 1 H3 PHE 1 -1.738 8.489 -0.430
4 HA PHE 1 HA PHE 1 0.460 7.962 0.111
5 1HB PHE 1 HB2 PHE 1 -0.717 9.713 1.411
6 2HB PHE 1 HB3 PHE 1 -1.186 8.510 2.606
7 HD1 PHE 1 HD1 PHE 1 0.161 8.364 4.539
8 HD2 PHE 1 HD2 PHE 1 1.897 9.873 0.894
9 HE1 PHE 1 HE1 PHE 1 2.212 9.012 5.779
10 HE2 PHE 1 HE2 PHE 1 3.935 10.531 2.141
11 HZ PHE 1 HZ PHE 1 4.087 10.123 4.589
12 H VAL 2 H VAL 2 -1.843 6.035 1.974
13 HA VAL 2 HA VAL 2 -1.715 4.009 2.989
14 HB VAL 2 HB VAL 2 0.409 3.396 0.906
15 1HG1 VAL 2 HG11 VAL 2 -0.538 1.120 1.050
16 2HG1 VAL 2 HG12 VAL 2 0.081 1.620 2.625
17 3HG1 VAL 2 HG13 VAL 2 -1.666 1.648 2.314
18 1HG2 VAL 2 HG21 VAL 2 -2.635 3.382 0.684
19 2HG2 VAL 2 HG22 VAL 2 -1.513 4.410 -0.237
20 3HG2 VAL 2 HG23 VAL 2 -1.520 2.667 -0.497
21 HA PRO 3 HA PRO 3 2.076 5.212 5.315
22 1HB PRO 3 HB2 PRO 3 1.033 5.920 7.740
23 2HB PRO 3 HB3 PRO 3 0.885 6.952 6.303
24 1HG PRO 3 HG2 PRO 3 -1.149 4.956 7.332
25 2HG PRO 3 HG3 PRO 3 -1.418 6.682 6.953
26 1HD PRO 3 HD2 PRO 3 -1.971 4.705 5.159
27 2HD PRO 3 HD3 PRO 3 -1.302 6.274 4.621
28 H ILE 4 H ILE 4 1.896 2.649 4.776
29 HA ILE 4 HA ILE 4 0.938 0.820 6.542
30 HB ILE 4 HB ILE 4 3.272 -0.468 5.690
31 1HG1 ILE 4 HG12 ILE 4 3.619 0.029 3.367
32 2HG1 ILE 4 HG13 ILE 4 2.501 1.379 3.393
33 1HG2 ILE 4 HG21 ILE 4 1.829 -1.440 3.957
34 2HG2 ILE 4 HG22 ILE 4 0.995 -1.306 5.512
35 3HG2 ILE 4 HG23 ILE 4 0.640 -0.145 4.216
36 1HD1 ILE 4 HD11 ILE 4 5.151 1.214 4.906
37 2HD1 ILE 4 HD12 ILE 4 4.870 2.070 3.381
38 3HD1 ILE 4 HD13 ILE 4 4.104 2.652 4.843
39 H PHE 5 H PHE 5 4.187 2.106 6.731
40 HA PHE 5 HA PHE 5 4.004 1.904 9.677
41 1HB PHE 5 HB2 PHE 5 6.371 1.256 9.871
42 2HB PHE 5 HB3 PHE 5 5.350 -0.012 9.223
43 HD1 PHE 5 HD1 PHE 5 8.158 2.262 8.517
44 HD2 PHE 5 HD2 PHE 5 5.593 -0.808 6.909
45 HE1 PHE 5 HE1 PHE 5 9.807 1.822 6.719
46 HE2 PHE 5 HE2 PHE 5 7.255 -1.254 5.123
47 HZ PHE 5 HZ PHE 5 9.378 0.036 5.047
48 H THR 6 H THR 6 3.328 3.866 7.882
49 HA THR 6 HA THR 6 3.566 6.107 7.555
50 HB THR 6 HB THR 6 6.377 6.178 8.685
51 HG1 THR 6 HG1 THR 6 5.202 5.275 10.268
52 1HG2 THR 6 HG21 THR 6 5.753 8.482 9.225
53 2HG2 THR 6 HG22 THR 6 5.548 8.187 7.487
54 3HG2 THR 6 HG23 THR 6 4.128 8.228 8.561
55 H TYR 7 H TYR 7 3.661 6.328 5.391
56 HA TYR 7 HA TYR 7 5.144 4.700 3.721
57 1HB TYR 7 HB2 TYR 7 3.070 5.934 3.149
58 2HB TYR 7 HB3 TYR 7 3.992 7.430 3.079
59 HD1 TYR 7 HD1 TYR 7 3.627 4.047 1.533
60 HD2 TYR 7 HD2 TYR 7 5.106 8.069 1.062
61 HE1 TYR 7 HE1 TYR 7 4.288 3.535 -0.806
62 HE2 TYR 7 HE2 TYR 7 5.739 7.561 -1.279
63 HH TYR 7 HH TYR 7 6.595 5.468 -2.390
64 H GLY 8 H GLY 8 5.895 7.990 4.760
65 1HA GLY 8 HA2 GLY 8 8.203 8.621 3.341
66 2HA GLY 8 HA3 GLY 8 7.921 9.052 5.035
67 H GLU 9 H GLU 9 7.903 6.412 6.192
68 HA GLU 9 HA GLU 9 10.777 6.062 6.418
69 1HB GLU 9 HB2 GLU 9 8.472 4.486 7.628
70 2HB GLU 9 HB3 GLU 9 10.182 4.298 8.036
71 1HG GLU 9 HG2 GLU 9 8.536 6.842 8.429
72 2HG GLU 9 HG3 GLU 9 9.019 5.706 9.693
73 H LEU 10 H LEU 10 8.125 4.405 4.699
74 HA LEU 10 HA LEU 10 9.792 2.180 3.878
75 1HB LEU 10 HB2 LEU 10 7.404 1.933 3.816
76 2HB LEU 10 HB3 LEU 10 7.222 3.307 2.733
77 HG LEU 10 HG LEU 10 8.422 2.084 0.943
78 1HD1 LEU 10 HD11 LEU 10 9.823 0.538 2.299
79 2HD1 LEU 10 HD12 LEU 10 8.350 -0.287 2.859
80 3HD1 LEU 10 HD13 LEU 10 8.814 -0.340 1.149
81 1HD2 LEU 10 HD21 LEU 10 5.957 2.010 1.121
82 2HD2 LEU 10 HD22 LEU 10 6.638 0.542 0.398
83 3HD2 LEU 10 HD23 LEU 10 6.090 0.518 2.085
84 H GLN 11 H GLN 11 9.251 5.501 2.681
85 HA GLN 11 HA GLN 11 10.745 5.061 0.213
86 1HB GLN 11 HB2 GLN 11 10.305 7.726 1.566
87 2HB GLN 11 HB3 GLN 11 10.745 7.380 -0.105
88 1HG GLN 11 HG2 GLN 11 8.074 7.215 1.223
89 2HG GLN 11 HG3 GLN 11 8.513 7.841 -0.353
90 1HE2 GLN 11 HE22 GLN 11 7.440 5.046 1.438
91 2HE2 GLN 11 HE21 GLN 11 7.200 3.991 0.049
92 H ARG 12 H ARG 12 11.590 6.367 3.421
93 HA ARG 12 HA ARG 12 14.348 6.750 2.986
94 1HB ARG 12 HB2 ARG 12 13.082 7.480 4.971
95 2HB ARG 12 HB3 ARG 12 12.919 5.797 5.501
96 1HG ARG 12 HG2 ARG 12 15.335 5.571 5.729
97 2HG ARG 12 HG3 ARG 12 15.584 7.213 5.097
98 1HD ARG 12 HD2 ARG 12 13.989 6.505 7.600
99 2HD ARG 12 HD3 ARG 12 15.681 7.041 7.623
100 HE ARG 12 HE ARG 12 14.462 9.025 6.201
101 1HH1 ARG 12 HH21 ARG 12 13.724 7.584 9.350
102 2HH1 ARG 12 HH22 ARG 12 13.124 9.063 10.036
103 1HH2 ARG 12 HH11 ARG 12 13.634 10.947 7.080
104 2HH2 ARG 12 HH12 ARG 12 13.052 10.998 8.722
105 H MET 13 H MET 13 12.620 3.788 4.111
106 HA MET 13 HA MET 13 14.846 2.105 4.329
107 1HB MET 13 HB2 MET 13 12.595 1.564 5.149
108 2HB MET 13 HB3 MET 13 11.996 1.409 3.489
109 1HG MET 13 HG2 MET 13 13.513 -0.470 3.076
110 2HG MET 13 HG3 MET 13 14.185 -0.325 4.704
111 1HE MET 13 HE1 MET 13 12.963 -1.124 6.882
112 2HE MET 13 HE2 MET 13 11.666 0.062 6.593
113 3HE MET 13 HE3 MET 13 11.259 -1.631 6.930
114 H GLN 14 H GLN 14 12.678 2.512 1.450
115 HA GLN 14 HA GLN 14 14.160 0.923 -0.348
116 1HB GLN 14 HB2 GLN 14 12.544 3.452 -0.761
117 2HB GLN 14 HB3 GLN 14 13.270 2.562 -2.103
118 1HG GLN 14 HG2 GLN 14 11.976 0.606 -1.697
119 2HG GLN 14 HG3 GLN 14 11.418 1.184 -0.120
120 1HE2 GLN 14 HE22 GLN 14 10.124 3.154 -0.078
121 2HE2 GLN 14 HE21 GLN 14 9.122 3.626 -1.462
122 H GLU 15 H GLU 15 14.587 4.410 0.432
123 HA GLU 15 HA GLU 15 16.633 4.987 -1.370
124 1HB GLU 15 HB2 GLU 15 15.343 6.618 -0.057
125 2HB GLU 15 HB3 GLU 15 16.221 6.178 1.409
126 1HG GLU 15 HG2 GLU 15 17.589 7.236 -1.094
127 2HG GLU 15 HG3 GLU 15 16.962 8.280 0.181
128 H LYS 16 H LYS 16 16.923 3.746 2.011
129 HA LYS 16 HA LYS 16 19.805 3.535 1.896
130 1HB LYS 16 HB2 LYS 16 17.675 2.334 3.701
131 2HB LYS 16 HB3 LYS 16 19.333 1.734 3.731
132 1HG LYS 16 HG2 LYS 16 19.281 3.329 5.428
133 2HG LYS 16 HG3 LYS 16 20.163 4.075 4.093
134 1HD LYS 16 HD2 LYS 16 17.965 5.256 3.465
135 2HD LYS 16 HD3 LYS 16 17.265 4.540 4.920
136 1HE LYS 16 HE2 LYS 16 17.939 6.803 5.439
137 2HE LYS 16 HE3 LYS 16 19.071 5.723 6.270
138 1HZ LYS 16 HZ1 LYS 16 20.617 6.113 4.475
139 2HZ LYS 16 HZ2 LYS 16 19.523 7.063 3.688
140 3HZ LYS 16 HZ3 LYS 16 20.148 7.548 5.136
141 H GLU 17 H GLU 17 17.184 1.164 1.246
142 HA GLU 17 HA GLU 17 18.846 -1.047 0.853
143 1HB GLU 17 HB2 GLU 17 16.133 -0.386 -0.327
144 2HB GLU 17 HB3 GLU 17 16.943 -1.928 -0.611
145 1HG GLU 17 HG2 GLU 17 16.301 -0.863 2.176
146 2HG GLU 17 HG3 GLU 17 15.309 -2.016 1.278
147 H ARG 18 H ARG 18 18.110 1.541 -1.470
148 HA ARG 18 HA ARG 18 19.162 0.559 -3.841
149 1HB ARG 18 HB2 ARG 18 19.924 3.214 -2.576
150 2HB ARG 18 HB3 ARG 18 20.113 2.783 -4.274
151 1HG ARG 18 HG2 ARG 18 17.633 2.497 -4.482
152 2HG ARG 18 HG3 ARG 18 17.460 3.086 -2.821
153 1HD ARG 18 HD2 ARG 18 18.688 4.596 -5.136
154 2HD ARG 18 HD3 ARG 18 17.109 4.924 -4.387
155 HE ARG 18 HE ARG 18 18.869 5.072 -2.269
156 1HH1 ARG 18 HH21 ARG 18 18.609 6.706 -5.397
157 2HH1 ARG 18 HH22 ARG 18 19.536 8.100 -4.912
158 1HH2 ARG 18 HH11 ARG 18 20.027 6.926 -1.598
159 2HH2 ARG 18 HH12 ARG 18 20.373 8.217 -2.719
160 H ASN 19 H ASN 19 21.024 1.375 -0.887
161 HA ASN 19 HA ASN 19 23.568 1.402 -2.063
162 1HB ASN 19 HB2 ASN 19 23.067 2.243 0.200
163 2HB ASN 19 HB3 ASN 19 22.860 0.573 0.766
164 1HD2 ASN 19 HD22 ASN 19 24.690 -0.038 1.919
165 2HD2 ASN 19 HD21 ASN 19 26.329 0.344 1.422
166 H LYS 20 H LYS 20 21.524 -1.389 -1.280
167 HA LYS 20 HA LYS 20 23.710 -3.332 -1.321
168 1HB LYS 20 HB2 LYS 20 20.688 -3.581 -1.595
169 2HB LYS 20 HB3 LYS 20 21.797 -4.935 -1.789
170 1HG LYS 20 HG2 LYS 20 20.936 -4.979 0.426
171 2HG LYS 20 HG3 LYS 20 22.674 -4.649 0.479
172 1HD LYS 20 HD2 LYS 20 22.267 -2.301 1.016
173 2HD LYS 20 HD3 LYS 20 20.545 -2.479 0.632
174 1HE LYS 20 HE2 LYS 20 20.866 -2.414 3.053
175 2HE LYS 20 HE3 LYS 20 20.240 -3.992 2.557
176 1HZ LYS 20 HZ1 LYS 20 22.463 -4.853 2.700
177 2HZ LYS 20 HZ2 LYS 20 23.056 -3.380 3.141
178 3HZ LYS 20 HZ3 LYS 20 22.015 -4.182 4.136
179 H GLY 21 H GLY 21 21.715 -1.657 -3.711
180 1HA GLY 21 HA2 GLY 21 22.494 -3.368 -5.969
181 2HA GLY 21 HA3 GLY 21 21.618 -1.828 -6.010
182 H GLN 22 H GLN 22 23.330 -0.202 -4.533
183 HA GLN 22 HA GLN 22 25.181 0.721 -6.416
184 1HB GLN 22 HB2 GLN 22 24.275 1.989 -4.474
185 2HB GLN 22 HB3 GLN 22 25.322 1.038 -3.394
186 1HG GLN 22 HG2 GLN 22 27.320 1.977 -4.357
187 2HG GLN 22 HG3 GLN 22 26.402 2.709 -5.684
188 1HE2 GLN 22 HE22 GLN 22 26.029 2.719 -2.014
189 2HE2 GLN 22 HE21 GLN 22 25.925 4.465 -1.967
Start of MODEL 5
1 1H PHE 1 H1 PHE 1 -5.075 5.425 -0.055
2 2H PHE 1 H2 PHE 1 -4.242 6.366 -1.132
3 3H PHE 1 H3 PHE 1 -4.859 7.021 0.260
4 HA PHE 1 HA PHE 1 -2.787 4.977 0.157
5 1HB PHE 1 HB2 PHE 1 -1.958 7.120 -0.697
6 2HB PHE 1 HB3 PHE 1 -2.601 7.961 0.711
7 HD1 PHE 1 HD1 PHE 1 -1.165 8.357 2.555
8 HD2 PHE 1 HD2 PHE 1 -0.229 5.170 -0.199
9 HE1 PHE 1 HE1 PHE 1 0.929 7.895 3.796
10 HE2 PHE 1 HE2 PHE 1 1.833 4.674 1.087
11 HZ PHE 1 HZ PHE 1 2.395 6.008 3.103
12 H VAL 2 H VAL 2 -1.775 4.584 2.267
13 HA VAL 2 HA VAL 2 -3.286 5.408 4.642
14 HB VAL 2 HB VAL 2 -4.312 3.319 4.017
15 1HG1 VAL 2 HG11 VAL 2 -2.529 2.329 2.595
16 2HG1 VAL 2 HG12 VAL 2 -1.586 1.981 4.060
17 3HG1 VAL 2 HG13 VAL 2 -3.153 1.205 3.806
18 1HG2 VAL 2 HG21 VAL 2 -2.400 2.887 6.348
19 2HG2 VAL 2 HG22 VAL 2 -3.992 3.686 6.405
20 3HG2 VAL 2 HG23 VAL 2 -3.878 1.967 6.017
21 HA PRO 3 HA PRO 3 1.060 5.984 5.444
22 1HB PRO 3 HB2 PRO 3 1.038 6.947 7.998
23 2HB PRO 3 HB3 PRO 3 0.282 7.817 6.642
24 1HG PRO 3 HG2 PRO 3 -1.075 5.940 8.600
25 2HG PRO 3 HG3 PRO 3 -1.538 7.625 8.213
26 1HD PRO 3 HD2 PRO 3 -2.720 5.525 6.976
27 2HD PRO 3 HD3 PRO 3 -2.315 7.006 6.059
28 H ILE 4 H ILE 4 0.642 3.333 5.320
29 HA ILE 4 HA ILE 4 0.782 1.724 7.541
30 HB ILE 4 HB ILE 4 2.459 0.336 5.832
31 1HG1 ILE 4 HG12 ILE 4 1.693 0.558 3.572
32 2HG1 ILE 4 HG13 ILE 4 0.672 1.931 3.964
33 1HG2 ILE 4 HG21 ILE 4 -0.564 0.561 5.717
34 2HG2 ILE 4 HG22 ILE 4 0.405 -0.777 5.062
35 3HG2 ILE 4 HG23 ILE 4 0.390 -0.470 6.804
36 1HD1 ILE 4 HD11 ILE 4 3.710 1.957 4.107
37 2HD1 ILE 4 HD12 ILE 4 2.737 2.489 2.726
38 3HD1 ILE 4 HD13 ILE 4 2.612 3.368 4.241
39 H PHE 5 H PHE 5 3.592 2.976 5.861
40 HA PHE 5 HA PHE 5 5.109 2.973 8.425
41 1HB PHE 5 HB2 PHE 5 6.521 2.553 5.794
42 2HB PHE 5 HB3 PHE 5 7.048 2.180 7.441
43 HD1 PHE 5 HD1 PHE 5 5.994 0.679 4.455
44 HD2 PHE 5 HD2 PHE 5 5.451 0.417 8.727
45 HE1 PHE 5 HE1 PHE 5 5.181 -1.647 4.212
46 HE2 PHE 5 HE2 PHE 5 4.646 -1.912 8.476
47 HZ PHE 5 HZ PHE 5 4.502 -2.947 6.218
48 H THR 6 H THR 6 3.343 4.850 7.418
49 HA THR 6 HA THR 6 3.085 7.031 6.923
50 HB THR 6 HB THR 6 5.858 7.539 8.025
51 HG1 THR 6 HG1 THR 6 5.264 6.005 9.420
52 1HG2 THR 6 HG21 THR 6 4.635 9.260 9.310
53 2HG2 THR 6 HG22 THR 6 4.324 9.472 7.579
54 3HG2 THR 6 HG23 THR 6 3.098 8.712 8.612
55 H TYR 7 H TYR 7 4.566 5.464 4.836
56 HA TYR 7 HA TYR 7 5.479 5.642 2.809
57 1HB TYR 7 HB2 TYR 7 4.031 7.512 2.260
58 2HB TYR 7 HB3 TYR 7 5.099 8.652 3.064
59 HD1 TYR 7 HD1 TYR 7 7.004 9.570 1.955
60 HD2 TYR 7 HD2 TYR 7 4.933 6.196 0.246
61 HE1 TYR 7 HE1 TYR 7 8.515 9.633 -0.009
62 HE2 TYR 7 HE2 TYR 7 6.450 6.253 -1.706
63 HH TYR 7 HH TYR 7 8.216 7.341 -2.721
64 H GLY 8 H GLY 8 6.728 8.300 4.744
65 1HA GLY 8 HA2 GLY 8 9.264 8.652 3.812
66 2HA GLY 8 HA3 GLY 8 8.817 8.865 5.510
67 H GLU 9 H GLU 9 8.277 6.092 6.184
68 HA GLU 9 HA GLU 9 11.009 5.307 6.758
69 1HB GLU 9 HB2 GLU 9 8.443 3.751 7.008
70 2HB GLU 9 HB3 GLU 9 9.955 3.357 7.816
71 1HG GLU 9 HG2 GLU 9 9.792 5.240 9.285
72 2HG GLU 9 HG3 GLU 9 8.537 6.022 8.321
73 H LEU 10 H LEU 10 8.531 4.388 4.381
74 HA LEU 10 HA LEU 10 9.898 2.025 3.409
75 1HB LEU 10 HB2 LEU 10 7.330 3.002 3.224
76 2HB LEU 10 HB3 LEU 10 7.951 3.451 1.637
77 HG LEU 10 HG LEU 10 7.939 0.661 2.886
78 1HD1 LEU 10 HD11 LEU 10 6.202 0.171 1.218
79 2HD1 LEU 10 HD12 LEU 10 5.695 1.536 2.229
80 3HD1 LEU 10 HD13 LEU 10 6.303 1.828 0.589
81 1HD2 LEU 10 HD21 LEU 10 8.754 1.510 0.075
82 2HD2 LEU 10 HD22 LEU 10 9.845 0.856 1.322
83 3HD2 LEU 10 HD23 LEU 10 8.573 -0.159 0.638
84 H GLN 11 H GLN 11 9.603 5.471 2.481
85 HA GLN 11 HA GLN 11 11.294 5.378 0.184
86 1HB GLN 11 HB2 GLN 11 9.908 7.288 0.656
87 2HB GLN 11 HB3 GLN 11 10.766 7.623 2.162
88 1HG GLN 11 HG2 GLN 11 11.437 9.136 0.306
89 2HG GLN 11 HG3 GLN 11 12.786 8.228 0.988
90 1HE2 GLN 11 HE22 GLN 11 10.300 7.775 -1.677
91 2HE2 GLN 11 HE21 GLN 11 11.503 7.169 -2.802
92 H ARG 12 H ARG 12 12.102 6.015 3.648
93 HA ARG 12 HA ARG 12 14.877 6.232 3.291
94 1HB ARG 12 HB2 ARG 12 13.602 6.797 5.343
95 2HB ARG 12 HB3 ARG 12 13.441 5.070 5.713
96 1HG ARG 12 HG2 ARG 12 15.915 4.856 5.793
97 2HG ARG 12 HG3 ARG 12 16.081 6.563 5.365
98 1HD ARG 12 HD2 ARG 12 14.758 5.432 7.875
99 2HD ARG 12 HD3 ARG 12 16.354 6.174 7.823
100 HE ARG 12 HE ARG 12 13.779 7.484 7.941
101 1HH1 ARG 12 HH21 ARG 12 17.065 7.917 6.721
102 2HH1 ARG 12 HH22 ARG 12 17.002 9.657 6.748
103 1HH2 ARG 12 HH11 ARG 12 13.674 9.753 7.979
104 2HH2 ARG 12 HH12 ARG 12 15.035 10.718 7.476
105 H MET 13 H MET 13 12.899 3.272 3.904
106 HA MET 13 HA MET 13 15.051 1.465 3.954
107 1HB MET 13 HB2 MET 13 12.673 0.966 4.583
108 2HB MET 13 HB3 MET 13 12.245 0.953 2.865
109 1HG MET 13 HG2 MET 13 12.566 -1.311 3.675
110 2HG MET 13 HG3 MET 13 13.827 -0.927 2.503
111 1HE MET 13 HE1 MET 13 13.897 -3.463 4.387
112 2HE MET 13 HE2 MET 13 15.200 -3.063 3.239
113 3HE MET 13 HE3 MET 13 15.591 -3.440 4.933
114 H GLN 14 H GLN 14 13.065 2.504 1.125
115 HA GLN 14 HA GLN 14 14.515 1.055 -0.845
116 1HB GLN 14 HB2 GLN 14 12.968 3.658 -0.960
117 2HB GLN 14 HB3 GLN 14 13.671 2.904 -2.395
118 1HG GLN 14 HG2 GLN 14 12.335 0.953 -2.218
119 2HG GLN 14 HG3 GLN 14 11.837 1.319 -0.562
120 1HE2 GLN 14 HE22 GLN 14 10.621 3.348 -0.231
121 2HE2 GLN 14 HE21 GLN 14 9.440 3.826 -1.460
122 H GLU 15 H GLU 15 15.074 4.347 0.435
123 HA GLU 15 HA GLU 15 17.261 5.099 -1.138
124 1HB GLU 15 HB2 GLU 15 15.983 6.537 0.442
125 2HB GLU 15 HB3 GLU 15 16.774 5.727 1.799
126 1HG GLU 15 HG2 GLU 15 18.987 6.521 0.968
127 2HG GLU 15 HG3 GLU 15 18.144 7.355 -0.359
128 H LYS 16 H LYS 16 17.273 3.400 2.046
129 HA LYS 16 HA LYS 16 20.078 2.976 2.214
130 1HB LYS 16 HB2 LYS 16 17.723 1.401 3.325
131 2HB LYS 16 HB3 LYS 16 19.416 1.053 3.714
132 1HG LYS 16 HG2 LYS 16 19.733 3.175 4.776
133 2HG LYS 16 HG3 LYS 16 18.224 3.821 4.127
134 1HD LYS 16 HD2 LYS 16 17.969 3.273 6.491
135 2HD LYS 16 HD3 LYS 16 16.892 2.293 5.486
136 1HE LYS 16 HE2 LYS 16 18.410 0.357 5.688
137 2HE LYS 16 HE3 LYS 16 19.581 1.343 6.590
138 1HZ LYS 16 HZ1 LYS 16 17.930 1.598 8.298
139 2HZ LYS 16 HZ2 LYS 16 16.849 0.689 7.448
140 3HZ LYS 16 HZ3 LYS 16 18.234 0.003 8.019
141 H GLU 17 H GLU 17 17.504 0.778 0.967
142 HA GLU 17 HA GLU 17 19.179 -1.348 0.205
143 1HB GLU 17 HB2 GLU 17 16.553 -0.350 -0.955
144 2HB GLU 17 HB3 GLU 17 17.321 -1.865 -1.453
145 1HG GLU 17 HG2 GLU 17 17.217 -2.772 0.790
146 2HG GLU 17 HG3 GLU 17 16.605 -1.257 1.454
147 H ARG 18 H ARG 18 18.073 1.409 -1.879
148 HA ARG 18 HA ARG 18 19.647 0.477 -4.075
149 1HB ARG 18 HB2 ARG 18 19.027 2.369 -5.273
150 2HB ARG 18 HB3 ARG 18 17.652 1.883 -4.293
151 1HG ARG 18 HG2 ARG 18 17.578 4.164 -4.112
152 2HG ARG 18 HG3 ARG 18 18.429 3.735 -2.634
153 1HD ARG 18 HD2 ARG 18 20.603 4.398 -3.725
154 2HD ARG 18 HD3 ARG 18 19.754 4.604 -5.249
155 HE ARG 18 HE ARG 18 18.980 6.638 -4.605
156 1HH1 ARG 18 HH11 ARG 18 20.021 5.030 -1.604
157 2HH1 ARG 18 HH12 ARG 18 20.528 6.513 -0.854
158 1HH2 ARG 18 HH21 ARG 18 19.363 8.572 -3.485
159 2HH2 ARG 18 HH22 ARG 18 19.952 8.553 -1.845
160 H ASN 19 H ASN 19 20.460 2.602 -1.325
161 HA ASN 19 HA ASN 19 22.976 3.475 -2.408
162 1HB ASN 19 HB2 ASN 19 21.736 4.351 -0.324
163 2HB ASN 19 HB3 ASN 19 22.445 2.995 0.546
164 1HD2 ASN 19 HD22 ASN 19 25.123 3.127 -0.944
165 2HD2 ASN 19 HD21 ASN 19 25.827 4.608 -0.330
166 H LYS 20 H LYS 20 21.977 0.625 -0.474
167 HA LYS 20 HA LYS 20 24.632 -0.456 -0.171
168 1HB LYS 20 HB2 LYS 20 21.858 -1.680 0.059
169 2HB LYS 20 HB3 LYS 20 23.359 -2.552 0.413
170 1HG LYS 20 HG2 LYS 20 23.933 -1.049 2.209
171 2HG LYS 20 HG3 LYS 20 22.669 0.088 1.763
172 1HD LYS 20 HD2 LYS 20 22.001 -1.202 3.735
173 2HD LYS 20 HD3 LYS 20 20.908 -1.463 2.373
174 1HE LYS 20 HE2 LYS 20 21.403 -3.562 3.592
175 2HE LYS 20 HE3 LYS 20 21.920 -3.651 1.906
176 1HZ LYS 20 HZ1 LYS 20 24.149 -3.191 2.629
177 2HZ LYS 20 HZ2 LYS 20 23.667 -3.079 4.201
178 3HZ LYS 20 HZ3 LYS 20 23.560 -4.518 3.406
179 H GLY 21 H GLY 21 22.063 -0.896 -2.601
180 1HA GLY 21 HA2 GLY 21 23.232 -3.133 -3.931
181 2HA GLY 21 HA3 GLY 21 21.964 -2.068 -4.544
182 H GLN 22 H GLN 22 25.466 -1.773 -3.830
183 HA GLN 22 HA GLN 22 26.017 -0.824 -6.621
184 1HB GLN 22 HB2 GLN 22 26.883 0.229 -3.940
185 2HB GLN 22 HB3 GLN 22 28.154 0.048 -5.148
186 1HG GLN 22 HG2 GLN 22 27.155 2.314 -5.161
187 2HG GLN 22 HG3 GLN 22 27.073 1.476 -6.715
188 1HE2 GLN 22 HE22 GLN 22 24.955 1.556 -3.713
189 2HE2 GLN 22 HE21 GLN 22 23.499 1.810 -4.649
Start of MODEL 6
1 1H PHE 1 H1 PHE 1 -2.316 9.015 0.596
2 2H PHE 1 H2 PHE 1 -0.905 9.534 -0.093
3 3H PHE 1 H3 PHE 1 -1.065 9.481 1.553
4 HA PHE 1 HA PHE 1 -1.126 7.156 -0.201
5 1HB PHE 1 HB2 PHE 1 1.072 6.587 0.809
6 2HB PHE 1 HB3 PHE 1 1.103 8.025 -0.199
7 HD1 PHE 1 HD1 PHE 1 1.860 10.128 0.671
8 HD2 PHE 1 HD2 PHE 1 1.071 6.852 3.354
9 HE1 PHE 1 HE1 PHE 1 2.867 11.409 2.538
10 HE2 PHE 1 HE2 PHE 1 2.001 8.171 5.237
11 HZ PHE 1 HZ PHE 1 2.926 10.438 4.828
12 H VAL 2 H VAL 2 -1.256 5.125 0.909
13 HA VAL 2 HA VAL 2 -2.706 5.180 3.428
14 HB VAL 2 HB VAL 2 -3.326 3.538 1.852
15 1HG1 VAL 2 HG11 VAL 2 -1.222 3.162 0.596
16 2HG1 VAL 2 HG12 VAL 2 -0.551 2.298 1.993
17 3HG1 VAL 2 HG13 VAL 2 -1.962 1.659 1.146
18 1HG2 VAL 2 HG21 VAL 2 -3.240 1.529 3.242
19 2HG2 VAL 2 HG22 VAL 2 -1.909 2.208 4.195
20 3HG2 VAL 2 HG23 VAL 2 -3.515 2.967 4.236
21 HA PRO 3 HA PRO 3 1.294 5.634 5.352
22 1HB PRO 3 HB2 PRO 3 0.603 6.108 7.937
23 2HB PRO 3 HB3 PRO 3 0.098 7.191 6.615
24 1HG PRO 3 HG2 PRO 3 -1.512 4.914 7.811
25 2HG PRO 3 HG3 PRO 3 -2.004 6.629 7.658
26 1HD PRO 3 HD2 PRO 3 -2.698 4.792 5.777
27 2HD PRO 3 HD3 PRO 3 -2.218 6.451 5.308
28 H ILE 4 H ILE 4 0.936 2.976 4.682
29 HA ILE 4 HA ILE 4 0.725 1.100 6.707
30 HB ILE 4 HB ILE 4 2.577 -0.177 5.166
31 1HG1 ILE 4 HG12 ILE 4 2.222 0.343 2.825
32 2HG1 ILE 4 HG13 ILE 4 1.295 1.783 3.220
33 1HG2 ILE 4 HG21 ILE 4 -0.339 0.304 4.471
34 2HG2 ILE 4 HG22 ILE 4 0.660 -1.049 3.901
35 3HG2 ILE 4 HG23 ILE 4 0.291 -0.894 5.623
36 1HD1 ILE 4 HD11 ILE 4 3.258 2.959 3.910
37 2HD1 ILE 4 HD12 ILE 4 4.224 1.446 3.945
38 3HD1 ILE 4 HD13 ILE 4 3.655 2.126 2.414
39 H PHE 5 H PHE 5 3.741 2.555 5.669
40 HA PHE 5 HA PHE 5 4.786 2.326 8.438
41 1HB PHE 5 HB2 PHE 5 6.587 2.101 6.015
42 2HB PHE 5 HB3 PHE 5 6.952 1.766 7.709
43 HD1 PHE 5 HD1 PHE 5 6.309 0.202 4.612
44 HD2 PHE 5 HD2 PHE 5 5.346 -0.124 8.807
45 HE1 PHE 5 HE1 PHE 5 5.704 -2.168 4.290
46 HE2 PHE 5 HE2 PHE 5 4.748 -2.503 8.474
47 HZ PHE 5 HZ PHE 5 4.922 -3.531 6.214
48 H THR 6 H THR 6 3.159 4.231 7.432
49 HA THR 6 HA THR 6 2.883 6.441 7.149
50 HB THR 6 HB THR 6 5.619 6.957 8.330
51 HG1 THR 6 HG1 THR 6 5.055 5.355 9.648
52 1HG2 THR 6 HG21 THR 6 4.326 8.576 9.673
53 2HG2 THR 6 HG22 THR 6 4.033 8.864 7.949
54 3HG2 THR 6 HG23 THR 6 2.816 8.018 8.925
55 H TYR 7 H TYR 7 4.448 5.001 5.026
56 HA TYR 7 HA TYR 7 5.419 5.254 3.047
57 1HB TYR 7 HB2 TYR 7 3.922 6.948 2.393
58 2HB TYR 7 HB3 TYR 7 4.706 8.172 3.391
59 HD1 TYR 7 HD1 TYR 7 5.607 5.790 0.601
60 HD2 TYR 7 HD2 TYR 7 6.119 9.702 2.351
61 HE1 TYR 7 HE1 TYR 7 7.203 6.394 -1.197
62 HE2 TYR 7 HE2 TYR 7 7.689 10.305 0.547
63 HH TYR 7 HH TYR 7 8.700 9.626 -1.408
64 H GLY 8 H GLY 8 6.531 7.912 5.077
65 1HA GLY 8 HA2 GLY 8 9.067 8.358 4.103
66 2HA GLY 8 HA3 GLY 8 8.633 8.549 5.811
67 H GLU 9 H GLU 9 8.190 5.880 6.587
68 HA GLU 9 HA GLU 9 10.895 5.060 7.091
69 1HB GLU 9 HB2 GLU 9 8.367 3.428 7.375
70 2HB GLU 9 HB3 GLU 9 9.892 3.137 8.196
71 1HG GLU 9 HG2 GLU 9 9.629 5.088 9.585
72 2HG GLU 9 HG3 GLU 9 8.269 5.696 8.634
73 H LEU 10 H LEU 10 8.347 3.982 4.838
74 HA LEU 10 HA LEU 10 9.724 1.655 3.886
75 1HB LEU 10 HB2 LEU 10 7.280 2.062 3.707
76 2HB LEU 10 HB3 LEU 10 7.552 3.328 2.526
77 HG LEU 10 HG LEU 10 6.796 1.104 1.670
78 1HD1 LEU 10 HD11 LEU 10 9.415 1.985 0.405
79 2HD1 LEU 10 HD12 LEU 10 8.054 1.157 -0.352
80 3HD1 LEU 10 HD13 LEU 10 7.861 2.825 0.211
81 1HD2 LEU 10 HD21 LEU 10 9.658 0.172 2.128
82 2HD2 LEU 10 HD22 LEU 10 8.261 -0.329 3.110
83 3HD2 LEU 10 HD23 LEU 10 8.330 -0.728 1.384
84 H GLN 11 H GLN 11 9.385 5.027 2.657
85 HA GLN 11 HA GLN 11 11.081 4.633 0.426
86 1HB GLN 11 HB2 GLN 11 9.539 6.560 0.707
87 2HB GLN 11 HB3 GLN 11 10.602 7.222 1.959
88 1HG GLN 11 HG2 GLN 11 11.018 8.318 -0.203
89 2HG GLN 11 HG3 GLN 11 12.444 7.414 0.297
90 1HE2 GLN 11 HE22 GLN 11 9.593 7.352 -1.890
91 2HE2 GLN 11 HE21 GLN 11 10.309 6.220 -3.031
92 H ARG 12 H ARG 12 11.849 5.608 3.799
93 HA ARG 12 HA ARG 12 14.617 6.076 3.393
94 1HB ARG 12 HB2 ARG 12 13.406 6.714 5.414
95 2HB ARG 12 HB3 ARG 12 13.170 5.014 5.855
96 1HG ARG 12 HG2 ARG 12 15.566 4.683 6.118
97 2HG ARG 12 HG3 ARG 12 15.901 6.303 5.482
98 1HD ARG 12 HD2 ARG 12 14.644 7.290 7.441
99 2HD ARG 12 HD3 ARG 12 14.321 5.659 8.021
100 HE ARG 12 HE ARG 12 16.382 5.563 8.953
101 1HH1 ARG 12 HH21 ARG 12 16.432 8.125 6.526
102 2HH1 ARG 12 HH22 ARG 12 17.992 8.742 6.991
103 1HH2 ARG 12 HH11 ARG 12 18.418 6.376 9.601
104 2HH2 ARG 12 HH12 ARG 12 19.150 7.707 8.752
105 H MET 13 H MET 13 12.896 3.040 4.327
106 HA MET 13 HA MET 13 15.168 1.361 4.372
107 1HB MET 13 HB2 MET 13 12.957 0.726 5.244
108 2HB MET 13 HB3 MET 13 12.284 0.705 3.607
109 1HG MET 13 HG2 MET 13 13.796 -1.123 2.980
110 2HG MET 13 HG3 MET 13 14.550 -1.076 4.583
111 1HE MET 13 HE1 MET 13 13.404 -3.686 3.103
112 2HE MET 13 HE2 MET 13 14.216 -3.697 4.690
113 3HE MET 13 HE3 MET 13 12.640 -4.497 4.488
114 H GLN 14 H GLN 14 12.923 2.067 1.668
115 HA GLN 14 HA GLN 14 14.158 0.604 -0.363
116 1HB GLN 14 HB2 GLN 14 11.962 1.813 -0.413
117 2HB GLN 14 HB3 GLN 14 12.823 3.336 -0.624
118 1HG GLN 14 HG2 GLN 14 12.897 0.945 -2.517
119 2HG GLN 14 HG3 GLN 14 11.900 2.388 -2.729
120 1HE2 GLN 14 HE22 GLN 14 13.500 4.557 -2.329
121 2HE2 GLN 14 HE21 GLN 14 14.910 4.473 -3.371
122 H GLU 15 H GLU 15 14.831 3.977 0.672
123 HA GLU 15 HA GLU 15 16.825 4.554 -1.196
124 1HB GLU 15 HB2 GLU 15 15.716 6.220 0.260
125 2HB GLU 15 HB3 GLU 15 16.582 5.580 1.664
126 1HG GLU 15 HG2 GLU 15 17.683 7.589 0.867
127 2HG GLU 15 HG3 GLU 15 18.754 6.211 0.604
128 H LYS 16 H LYS 16 17.144 3.208 2.135
129 HA LYS 16 HA LYS 16 19.975 2.880 2.086
130 1HB LYS 16 HB2 LYS 16 17.808 1.357 3.575
131 2HB LYS 16 HB3 LYS 16 19.543 1.124 3.835
132 1HG LYS 16 HG2 LYS 16 19.831 3.464 4.475
133 2HG LYS 16 HG3 LYS 16 18.131 3.814 4.126
134 1HD LYS 16 HD2 LYS 16 17.394 2.273 5.876
135 2HD LYS 16 HD3 LYS 16 19.072 1.794 6.210
136 1HE LYS 16 HE2 LYS 16 19.625 4.094 6.910
137 2HE LYS 16 HE3 LYS 16 17.991 4.638 6.498
138 1HZ LYS 16 HZ1 LYS 16 18.228 4.224 8.821
139 2HZ LYS 16 HZ2 LYS 16 17.140 3.172 8.172
140 3HZ LYS 16 HZ3 LYS 16 18.657 2.655 8.558
141 H GLU 17 H GLU 17 17.352 0.623 1.096
142 HA GLU 17 HA GLU 17 19.014 -1.554 0.409
143 1HB GLU 17 HB2 GLU 17 16.307 -0.693 -0.673
144 2HB GLU 17 HB3 GLU 17 17.120 -2.185 -1.157
145 1HG GLU 17 HG2 GLU 17 17.173 -2.999 1.137
146 2HG GLU 17 HG3 GLU 17 16.475 -1.498 1.745
147 H ARG 18 H ARG 18 17.769 1.038 -1.848
148 HA ARG 18 HA ARG 18 19.374 -0.016 -3.988
149 1HB ARG 18 HB2 ARG 18 18.877 1.947 -5.241
150 2HB ARG 18 HB3 ARG 18 17.421 1.338 -4.442
151 1HG ARG 18 HG2 ARG 18 17.576 3.112 -2.758
152 2HG ARG 18 HG3 ARG 18 19.073 3.733 -3.482
153 1HD ARG 18 HD2 ARG 18 17.895 4.219 -5.579
154 2HD ARG 18 HD3 ARG 18 16.407 3.519 -4.914
155 HE ARG 18 HE ARG 18 17.553 5.680 -3.305
156 1HH1 ARG 18 HH21 ARG 18 15.519 4.995 -6.113
157 2HH1 ARG 18 HH22 ARG 18 14.627 6.488 -6.017
158 1HH2 ARG 18 HH11 ARG 18 16.373 7.642 -3.149
159 2HH2 ARG 18 HH12 ARG 18 15.136 8.026 -4.316
160 H ASN 19 H ASN 19 20.040 2.480 -1.542
161 HA ASN 19 HA ASN 19 22.456 3.495 -2.577
162 1HB ASN 19 HB2 ASN 19 21.395 4.594 -0.724
163 2HB ASN 19 HB3 ASN 19 21.429 3.120 0.252
164 1HD2 ASN 19 HD22 ASN 19 23.855 5.160 -1.522
165 2HD2 ASN 19 HD21 ASN 19 25.009 5.117 -0.202
166 H LYS 20 H LYS 20 21.898 0.658 -0.451
167 HA LYS 20 HA LYS 20 24.798 0.083 -0.406
168 1HB LYS 20 HB2 LYS 20 22.431 -1.175 1.027
169 2HB LYS 20 HB3 LYS 20 24.139 -1.590 1.288
170 1HG LYS 20 HG2 LYS 20 24.641 0.719 1.969
171 2HG LYS 20 HG3 LYS 20 22.981 1.212 1.603
172 1HD LYS 20 HD2 LYS 20 22.087 -0.215 3.363
173 2HD LYS 20 HD3 LYS 20 23.709 -0.831 3.731
174 1HE LYS 20 HE2 LYS 20 23.017 0.952 5.321
175 2HE LYS 20 HE3 LYS 20 24.463 1.408 4.408
176 1HZ LYS 20 HZ1 LYS 20 23.111 2.754 2.995
177 2HZ LYS 20 HZ2 LYS 20 21.733 2.275 3.764
178 3HZ LYS 20 HZ3 LYS 20 22.856 3.178 4.563
179 H GLY 21 H GLY 21 21.782 -1.691 -1.277
180 1HA GLY 21 HA2 GLY 21 23.263 -3.879 -2.565
181 2HA GLY 21 HA3 GLY 21 21.511 -3.673 -2.422
182 H GLN 22 H GLN 22 24.263 -1.891 -3.856
183 HA GLN 22 HA GLN 22 22.725 -0.700 -5.965
184 1HB GLN 22 HB2 GLN 22 25.730 -1.171 -5.743
185 2HB GLN 22 HB3 GLN 22 24.931 -0.109 -6.920
186 1HG GLN 22 HG2 GLN 22 23.994 1.255 -5.072
187 2HG GLN 22 HG3 GLN 22 24.782 0.196 -3.890
188 1HE2 GLN 22 HE22 GLN 22 25.713 2.239 -3.120
189 2HE2 GLN 22 HE21 GLN 22 27.184 2.830 -3.902
Start of MODEL 7
1 1H PHE 1 H1 PHE 1 1.365 9.467 -0.981
2 2H PHE 1 H2 PHE 1 -0.186 9.051 -0.590
3 3H PHE 1 H3 PHE 1 0.860 7.902 -1.132
4 HA PHE 1 HA PHE 1 2.209 8.122 0.785
5 1HB PHE 1 HB2 PHE 1 1.635 10.547 1.084
6 2HB PHE 1 HB3 PHE 1 0.088 10.069 1.766
7 HD1 PHE 1 HD1 PHE 1 3.454 10.925 2.510
8 HD2 PHE 1 HD2 PHE 1 0.176 8.480 3.896
9 HE1 PHE 1 HE1 PHE 1 4.454 10.848 4.773
10 HE2 PHE 1 HE2 PHE 1 1.240 8.325 6.121
11 HZ PHE 1 HZ PHE 1 3.366 9.525 6.574
12 H VAL 2 H VAL 2 1.843 6.130 1.672
13 HA VAL 2 HA VAL 2 -0.947 5.374 2.423
14 HB VAL 2 HB VAL 2 1.350 3.550 1.663
15 1HG1 VAL 2 HG11 VAL 2 -0.394 1.811 1.677
16 2HG1 VAL 2 HG12 VAL 2 -0.311 2.571 3.271
17 3HG1 VAL 2 HG13 VAL 2 -1.618 3.004 2.153
18 1HG2 VAL 2 HG21 VAL 2 0.578 4.752 -0.334
19 2HG2 VAL 2 HG22 VAL 2 -0.026 3.092 -0.368
20 3HG2 VAL 2 HG23 VAL 2 -1.116 4.418 0.088
21 HA PRO 3 HA PRO 3 1.237 5.624 6.409
22 1HB PRO 3 HB2 PRO 3 -0.859 5.598 8.122
23 2HB PRO 3 HB3 PRO 3 -0.576 6.969 7.021
24 1HG PRO 3 HG2 PRO 3 -2.446 4.627 6.569
25 2HG PRO 3 HG3 PRO 3 -2.836 6.368 6.461
26 1HD PRO 3 HD2 PRO 3 -2.176 4.877 4.269
27 2HD PRO 3 HD3 PRO 3 -1.672 6.589 4.409
28 H ILE 4 H ILE 4 1.747 3.294 5.250
29 HA ILE 4 HA ILE 4 0.527 1.049 6.615
30 HB ILE 4 HB ILE 4 2.911 0.018 5.655
31 1HG1 ILE 4 HG12 ILE 4 3.122 0.760 3.331
32 2HG1 ILE 4 HG13 ILE 4 2.045 2.115 3.609
33 1HG2 ILE 4 HG21 ILE 4 0.269 0.344 4.202
34 2HG2 ILE 4 HG22 ILE 4 1.523 -0.861 3.838
35 3HG2 ILE 4 HG23 ILE 4 0.679 -0.912 5.391
36 1HD1 ILE 4 HD11 ILE 4 4.760 1.664 4.940
37 2HD1 ILE 4 HD12 ILE 4 4.441 2.729 3.562
38 3HD1 ILE 4 HD13 ILE 4 3.757 3.126 5.133
39 H PHE 5 H PHE 5 3.916 2.019 6.731
40 HA PHE 5 HA PHE 5 3.898 1.726 9.715
41 1HB PHE 5 HB2 PHE 5 6.369 1.766 7.993
42 2HB PHE 5 HB3 PHE 5 6.166 1.122 9.616
43 HD1 PHE 5 HD1 PHE 5 3.921 -0.748 9.415
44 HD2 PHE 5 HD2 PHE 5 7.069 0.044 6.565
45 HE1 PHE 5 HE1 PHE 5 3.555 -2.967 8.383
46 HE2 PHE 5 HE2 PHE 5 6.688 -2.177 5.538
47 HZ PHE 5 HZ PHE 5 4.929 -3.684 6.438
48 H THR 6 H THR 6 3.138 3.946 7.720
49 HA THR 6 HA THR 6 3.232 6.224 7.702
50 HB THR 6 HB THR 6 5.898 6.332 9.155
51 HG1 THR 6 HG1 THR 6 4.598 5.286 10.531
52 1HG2 THR 6 HG21 THR 6 5.125 8.371 7.986
53 2HG2 THR 6 HG22 THR 6 3.582 8.287 8.873
54 3HG2 THR 6 HG23 THR 6 5.099 8.561 9.751
55 H TYR 7 H TYR 7 3.448 6.265 5.527
56 HA TYR 7 HA TYR 7 5.005 5.045 3.842
57 1HB TYR 7 HB2 TYR 7 3.157 6.716 3.346
58 2HB TYR 7 HB3 TYR 7 4.355 7.985 3.505
59 HD1 TYR 7 HD1 TYR 7 5.095 8.856 1.466
60 HD2 TYR 7 HD2 TYR 7 4.068 4.672 1.714
61 HE1 TYR 7 HE1 TYR 7 5.692 8.558 -0.924
62 HE2 TYR 7 HE2 TYR 7 4.791 4.361 -0.633
63 HH TYR 7 HH TYR 7 6.342 5.435 -2.178
64 H GLY 8 H GLY 8 6.022 8.158 5.163
65 1HA GLY 8 HA2 GLY 8 8.388 8.735 3.928
66 2HA GLY 8 HA3 GLY 8 8.115 8.985 5.659
67 H GLU 9 H GLU 9 8.097 6.379 6.719
68 HA GLU 9 HA GLU 9 10.982 5.976 6.626
69 1HB GLU 9 HB2 GLU 9 10.685 4.191 8.226
70 2HB GLU 9 HB3 GLU 9 10.027 5.735 8.770
71 1HG GLU 9 HG2 GLU 9 7.790 5.000 8.528
72 2HG GLU 9 HG3 GLU 9 8.247 3.580 7.564
73 H LEU 10 H LEU 10 8.173 4.377 5.143
74 HA LEU 10 HA LEU 10 9.660 2.037 4.342
75 1HB LEU 10 HB2 LEU 10 7.187 2.090 4.437
76 2HB LEU 10 HB3 LEU 10 7.162 3.261 3.110
77 HG LEU 10 HG LEU 10 8.234 1.579 1.613
78 1HD1 LEU 10 HD11 LEU 10 7.946 -0.275 4.018
79 2HD1 LEU 10 HD12 LEU 10 8.248 -0.818 2.355
80 3HD1 LEU 10 HD13 LEU 10 9.456 0.162 3.183
81 1HD2 LEU 10 HD21 LEU 10 5.777 1.815 1.714
82 2HD2 LEU 10 HD22 LEU 10 6.281 0.163 1.328
83 3HD2 LEU 10 HD23 LEU 10 5.720 0.548 2.965
84 H GLN 11 H GLN 11 9.006 5.244 2.896
85 HA GLN 11 HA GLN 11 10.486 4.756 0.461
86 1HB GLN 11 HB2 GLN 11 9.848 7.338 1.930
87 2HB GLN 11 HB3 GLN 11 10.649 7.248 0.359
88 1HG GLN 11 HG2 GLN 11 7.856 6.194 1.008
89 2HG GLN 11 HG3 GLN 11 8.241 7.646 0.078
90 1HE2 GLN 11 HE22 GLN 11 10.106 6.962 -1.749
91 2HE2 GLN 11 HE21 GLN 11 9.557 5.621 -2.736
92 H ARG 12 H ARG 12 11.547 6.151 3.624
93 HA ARG 12 HA ARG 12 14.244 6.402 2.769
94 1HB ARG 12 HB2 ARG 12 13.064 6.069 5.537
95 2HB ARG 12 HB3 ARG 12 14.791 6.338 5.227
96 1HG ARG 12 HG2 ARG 12 14.278 8.362 3.916
97 2HG ARG 12 HG3 ARG 12 12.555 8.171 4.252
98 1HD ARG 12 HD2 ARG 12 14.739 8.530 6.361
99 2HD ARG 12 HD3 ARG 12 13.721 9.835 5.776
100 HE ARG 12 HE ARG 12 13.038 7.715 7.665
101 1HH1 ARG 12 HH11 ARG 12 11.653 9.991 5.358
102 2HH1 ARG 12 HH12 ARG 12 10.192 10.267 6.270
103 1HH2 ARG 12 HH21 ARG 12 11.102 7.972 8.827
104 2HH2 ARG 12 HH22 ARG 12 9.840 9.020 8.246
105 H MET 13 H MET 13 12.602 3.558 4.187
106 HA MET 13 HA MET 13 14.896 1.882 4.374
107 1HB MET 13 HB2 MET 13 11.954 1.298 3.868
108 2HB MET 13 HB3 MET 13 13.165 0.025 4.066
109 1HG MET 13 HG2 MET 13 13.602 0.589 6.306
110 2HG MET 13 HG3 MET 13 12.909 2.197 6.159
111 1HE MET 13 HE1 MET 13 11.219 -1.183 4.930
112 2HE MET 13 HE2 MET 13 12.115 -1.636 6.404
113 3HE MET 13 HE3 MET 13 10.334 -1.628 6.407
114 H GLN 14 H GLN 14 12.561 2.342 1.650
115 HA GLN 14 HA GLN 14 13.938 0.690 -0.216
116 1HB GLN 14 HB2 GLN 14 12.209 3.151 -0.592
117 2HB GLN 14 HB3 GLN 14 12.853 2.219 -1.945
118 1HG GLN 14 HG2 GLN 14 11.639 0.265 -1.376
119 2HG GLN 14 HG3 GLN 14 11.239 0.859 0.242
120 1HE2 GLN 14 HE22 GLN 14 9.861 2.728 0.428
121 2HE2 GLN 14 HE21 GLN 14 8.673 3.132 -0.822
122 H GLU 15 H GLU 15 14.390 4.217 0.505
123 HA GLU 15 HA GLU 15 16.367 4.677 -1.474
124 1HB GLU 15 HB2 GLU 15 15.905 5.964 1.236
125 2HB GLU 15 HB3 GLU 15 17.045 6.583 0.044
126 1HG GLU 15 HG2 GLU 15 15.364 7.174 -1.497
127 2HG GLU 15 HG3 GLU 15 14.153 6.126 -0.763
128 H LYS 16 H LYS 16 16.732 3.653 1.964
129 HA LYS 16 HA LYS 16 19.562 3.535 1.933
130 1HB LYS 16 HB2 LYS 16 18.269 3.551 3.994
131 2HB LYS 16 HB3 LYS 16 17.506 2.012 3.584
132 1HG LYS 16 HG2 LYS 16 19.255 1.749 5.276
133 2HG LYS 16 HG3 LYS 16 19.625 0.822 3.819
134 1HD LYS 16 HD2 LYS 16 21.247 2.539 3.094
135 2HD LYS 16 HD3 LYS 16 20.801 3.569 4.473
136 1HE LYS 16 HE2 LYS 16 21.634 1.820 6.030
137 2HE LYS 16 HE3 LYS 16 22.026 0.772 4.652
138 1HZ LYS 16 HZ1 LYS 16 23.211 3.404 5.187
139 2HZ LYS 16 HZ2 LYS 16 23.933 1.946 5.443
140 3HZ LYS 16 HZ3 LYS 16 23.573 2.427 3.910
141 H GLU 17 H GLU 17 17.090 1.019 1.264
142 HA GLU 17 HA GLU 17 18.832 -1.133 0.764
143 1HB GLU 17 HB2 GLU 17 16.342 -1.239 0.999
144 2HB GLU 17 HB3 GLU 17 16.179 -0.555 -0.628
145 1HG GLU 17 HG2 GLU 17 17.399 -2.507 -1.567
146 2HG GLU 17 HG3 GLU 17 17.602 -3.165 0.066
147 H ARG 18 H ARG 18 17.546 1.330 -1.513
148 HA ARG 18 HA ARG 18 18.913 0.443 -3.825
149 1HB ARG 18 HB2 ARG 18 17.049 2.252 -3.463
150 2HB ARG 18 HB3 ARG 18 18.386 3.382 -3.264
151 1HG ARG 18 HG2 ARG 18 17.780 1.600 -5.675
152 2HG ARG 18 HG3 ARG 18 17.479 3.335 -5.554
153 1HD ARG 18 HD2 ARG 18 20.184 1.952 -5.667
154 2HD ARG 18 HD3 ARG 18 19.445 2.952 -6.893
155 HE ARG 18 HE ARG 18 19.463 4.834 -5.181
156 1HH1 ARG 18 HH21 ARG 18 21.988 2.359 -4.907
157 2HH1 ARG 18 HH22 ARG 18 23.295 3.507 -4.923
158 1HH2 ARG 18 HH11 ARG 18 21.133 6.315 -4.859
159 2HH2 ARG 18 HH12 ARG 18 22.780 5.781 -4.675
160 H ASN 19 H ASN 19 19.862 2.877 -1.364
161 HA ASN 19 HA ASN 19 22.340 3.637 -2.388
162 1HB ASN 19 HB2 ASN 19 21.069 4.601 -0.414
163 2HB ASN 19 HB3 ASN 19 21.774 3.320 0.576
164 1HD2 ASN 19 HD22 ASN 19 24.490 3.538 -1.035
165 2HD2 ASN 19 HD21 ASN 19 25.136 5.022 -0.372
166 H LYS 20 H LYS 20 21.571 0.856 -0.236
167 HA LYS 20 HA LYS 20 24.286 -0.056 -0.056
168 1HB LYS 20 HB2 LYS 20 22.577 -0.700 1.566
169 2HB LYS 20 HB3 LYS 20 21.636 -1.513 0.313
170 1HG LYS 20 HG2 LYS 20 22.861 -3.104 1.700
171 2HG LYS 20 HG3 LYS 20 23.384 -3.205 0.017
172 1HD LYS 20 HD2 LYS 20 25.427 -1.932 0.522
173 2HD LYS 20 HD3 LYS 20 24.868 -1.643 2.187
174 1HE LYS 20 HE2 LYS 20 24.943 -4.091 2.622
175 2HE LYS 20 HE3 LYS 20 25.464 -4.374 0.949
176 1HZ LYS 20 HZ1 LYS 20 27.424 -3.095 1.408
177 2HZ LYS 20 HZ2 LYS 20 26.943 -2.831 2.962
178 3HZ LYS 20 HZ3 LYS 20 27.298 -4.359 2.457
179 H GLY 21 H GLY 21 21.526 -0.979 -2.155
180 1HA GLY 21 HA2 GLY 21 23.029 -2.878 -3.761
181 2HA GLY 21 HA3 GLY 21 21.401 -2.246 -4.052
182 H GLN 22 H GLN 22 24.742 -0.937 -3.930
183 HA GLN 22 HA GLN 22 24.335 1.090 -5.909
184 1HB GLN 22 HB2 GLN 22 26.917 -0.326 -5.109
185 2HB GLN 22 HB3 GLN 22 26.786 1.182 -6.029
186 1HG GLN 22 HG2 GLN 22 25.561 2.199 -4.052
187 2HG GLN 22 HG3 GLN 22 25.899 0.713 -3.148
188 1HE2 GLN 22 HE22 GLN 22 27.683 3.160 -5.146
189 2HE2 GLN 22 HE21 GLN 22 29.067 3.202 -4.067
Start of MODEL 8
1 1H PHE 1 H1 PHE 1 1.954 8.778 -0.836
2 2H PHE 1 H2 PHE 1 2.524 10.252 -0.351
3 3H PHE 1 H3 PHE 1 0.899 9.939 -0.353
4 HA PHE 1 HA PHE 1 2.852 8.569 1.319
5 1HB PHE 1 HB2 PHE 1 2.630 10.874 2.056
6 2HB PHE 1 HB3 PHE 1 0.872 10.778 1.971
7 HD1 PHE 1 HD1 PHE 1 3.871 9.549 3.819
8 HD2 PHE 1 HD2 PHE 1 -0.433 9.808 3.764
9 HE1 PHE 1 HE1 PHE 1 3.774 8.486 6.052
10 HE2 PHE 1 HE2 PHE 1 -0.521 8.798 6.023
11 HZ PHE 1 HZ PHE 1 1.571 8.099 7.159
12 H VAL 2 H VAL 2 2.013 6.924 2.622
13 HA VAL 2 HA VAL 2 -0.866 6.399 2.631
14 HB VAL 2 HB VAL 2 1.174 4.275 1.843
15 1HG1 VAL 2 HG11 VAL 2 -0.791 2.828 1.536
16 2HG1 VAL 2 HG12 VAL 2 -0.744 3.410 3.204
17 3HG1 VAL 2 HG13 VAL 2 -1.870 4.140 2.042
18 1HG2 VAL 2 HG21 VAL 2 -0.064 4.179 -0.314
19 2HG2 VAL 2 HG22 VAL 2 -0.973 5.628 0.159
20 3HG2 VAL 2 HG23 VAL 2 0.788 5.708 -0.095
21 HA PRO 3 HA PRO 3 0.785 5.549 6.793
22 1HB PRO 3 HB2 PRO 3 -1.512 5.231 8.185
23 2HB PRO 3 HB3 PRO 3 -1.089 6.805 7.469
24 1HG PRO 3 HG2 PRO 3 -2.906 4.685 6.285
25 2HG PRO 3 HG3 PRO 3 -3.267 6.420 6.514
26 1HD PRO 3 HD2 PRO 3 -2.344 5.397 4.143
27 2HD PRO 3 HD3 PRO 3 -1.886 7.034 4.700
28 H ILE 4 H ILE 4 1.420 3.600 5.204
29 HA ILE 4 HA ILE 4 0.197 1.054 6.029
30 HB ILE 4 HB ILE 4 2.518 0.232 4.983
31 1HG1 ILE 4 HG12 ILE 4 2.129 2.692 3.264
32 2HG1 ILE 4 HG13 ILE 4 3.193 2.818 4.659
33 1HG2 ILE 4 HG21 ILE 4 1.372 0.081 2.796
34 2HG2 ILE 4 HG22 ILE 4 0.322 -0.350 4.150
35 3HG2 ILE 4 HG23 ILE 4 0.150 1.232 3.370
36 1HD1 ILE 4 HD11 ILE 4 3.531 0.804 2.420
37 2HD1 ILE 4 HD12 ILE 4 4.484 2.274 2.706
38 3HD1 ILE 4 HD13 ILE 4 4.547 0.942 3.875
39 H PHE 5 H PHE 5 3.569 2.000 6.292
40 HA PHE 5 HA PHE 5 3.533 1.519 9.245
41 1HB PHE 5 HB2 PHE 5 6.024 1.348 7.551
42 2HB PHE 5 HB3 PHE 5 5.709 0.652 9.131
43 HD1 PHE 5 HD1 PHE 5 6.418 -0.269 5.913
44 HD2 PHE 5 HD2 PHE 5 3.384 -1.011 8.894
45 HE1 PHE 5 HE1 PHE 5 5.747 -2.332 4.723
46 HE2 PHE 5 HE2 PHE 5 2.729 -3.080 7.702
47 HZ PHE 5 HZ PHE 5 3.898 -3.737 5.606
48 H THR 6 H THR 6 2.737 3.803 7.620
49 HA THR 6 HA THR 6 3.028 6.045 7.379
50 HB THR 6 HB THR 6 5.492 5.902 9.173
51 HG1 THR 6 HG1 THR 6 3.697 5.056 10.236
52 1HG2 THR 6 HG21 THR 6 3.580 8.179 8.548
53 2HG2 THR 6 HG22 THR 6 4.949 8.218 9.671
54 3HG2 THR 6 HG23 THR 6 5.250 8.021 7.939
55 H TYR 7 H TYR 7 3.401 5.655 5.173
56 HA TYR 7 HA TYR 7 5.221 4.430 3.789
57 1HB TYR 7 HB2 TYR 7 3.538 5.501 2.599
58 2HB TYR 7 HB3 TYR 7 3.976 7.097 3.221
59 HD1 TYR 7 HD1 TYR 7 5.149 4.364 0.933
60 HD2 TYR 7 HD2 TYR 7 5.474 8.521 2.045
61 HE1 TYR 7 HE1 TYR 7 6.667 4.773 -0.990
62 HE2 TYR 7 HE2 TYR 7 6.981 8.917 0.136
63 HH TYR 7 HH TYR 7 8.270 7.917 -1.485
64 H GLY 8 H GLY 8 6.032 7.679 4.958
65 1HA GLY 8 HA2 GLY 8 8.482 8.163 3.762
66 2HA GLY 8 HA3 GLY 8 8.093 8.617 5.431
67 H GLU 9 H GLU 9 7.850 6.009 6.540
68 HA GLU 9 HA GLU 9 10.534 5.318 7.212
69 1HB GLU 9 HB2 GLU 9 8.540 4.897 8.645
70 2HB GLU 9 HB3 GLU 9 7.936 3.728 7.465
71 1HG GLU 9 HG2 GLU 9 9.984 2.342 7.812
72 2HG GLU 9 HG3 GLU 9 10.535 3.499 9.038
73 H LEU 10 H LEU 10 8.110 3.788 5.034
74 HA LEU 10 HA LEU 10 9.806 1.607 4.282
75 1HB LEU 10 HB2 LEU 10 7.354 1.516 4.053
76 2HB LEU 10 HB3 LEU 10 7.401 2.817 2.856
77 HG LEU 10 HG LEU 10 8.714 1.378 1.318
78 1HD1 LEU 10 HD11 LEU 10 9.886 -0.117 2.862
79 2HD1 LEU 10 HD12 LEU 10 8.341 -0.747 3.479
80 3HD1 LEU 10 HD13 LEU 10 8.848 -1.080 1.811
81 1HD2 LEU 10 HD21 LEU 10 6.908 -0.133 0.705
82 2HD2 LEU 10 HD22 LEU 10 6.171 0.043 2.309
83 3HD2 LEU 10 HD23 LEU 10 6.247 1.434 1.198
84 H GLN 11 H GLN 11 9.131 4.839 2.903
85 HA GLN 11 HA GLN 11 10.743 4.587 0.595
86 1HB GLN 11 HB2 GLN 11 9.148 6.516 1.259
87 2HB GLN 11 HB3 GLN 11 10.522 7.170 2.169
88 1HG GLN 11 HG2 GLN 11 11.880 6.938 -0.025
89 2HG GLN 11 HG3 GLN 11 10.348 6.580 -0.818
90 1HE2 GLN 11 HE22 GLN 11 12.257 9.046 0.872
91 2HE2 GLN 11 HE21 GLN 11 11.265 10.414 0.369
92 H ARG 12 H ARG 12 11.627 5.683 3.930
93 HA ARG 12 HA ARG 12 14.386 6.105 3.336
94 1HB ARG 12 HB2 ARG 12 12.876 5.577 5.898
95 2HB ARG 12 HB3 ARG 12 14.631 5.831 5.876
96 1HG ARG 12 HG2 ARG 12 14.480 8.011 5.039
97 2HG ARG 12 HG3 ARG 12 12.871 7.763 4.373
98 1HD ARG 12 HD2 ARG 12 11.927 7.655 6.707
99 2HD ARG 12 HD3 ARG 12 13.551 7.930 7.343
100 HE ARG 12 HE ARG 12 13.315 10.156 6.955
101 1HH1 ARG 12 HH11 ARG 12 11.005 8.470 4.851
102 2HH1 ARG 12 HH12 ARG 12 10.324 9.947 4.211
103 1HH2 ARG 12 HH21 ARG 12 12.385 12.065 6.161
104 2HH2 ARG 12 HH22 ARG 12 11.088 12.017 5.001
105 H MET 13 H MET 13 12.687 3.157 4.494
106 HA MET 13 HA MET 13 14.999 1.495 4.680
107 1HB MET 13 HB2 MET 13 12.110 0.869 3.951
108 2HB MET 13 HB3 MET 13 13.351 -0.370 4.162
109 1HG MET 13 HG2 MET 13 13.703 0.218 6.452
110 2HG MET 13 HG3 MET 13 12.693 1.664 6.326
111 1HE MET 13 HE1 MET 13 10.742 -0.692 8.789
112 2HE MET 13 HE2 MET 13 12.510 -0.713 8.585
113 3HE MET 13 HE3 MET 13 11.637 0.837 8.615
114 H GLN 14 H GLN 14 12.850 2.182 1.875
115 HA GLN 14 HA GLN 14 14.266 0.651 -0.024
116 1HB GLN 14 HB2 GLN 14 12.017 1.602 -0.369
117 2HB GLN 14 HB3 GLN 14 12.706 3.227 -0.457
118 1HG GLN 14 HG2 GLN 14 14.023 2.555 -2.466
119 2HG GLN 14 HG3 GLN 14 13.338 0.925 -2.350
120 1HE2 GLN 14 HE22 GLN 14 12.115 4.350 -2.298
121 2HE2 GLN 14 HE21 GLN 14 10.809 4.031 -3.429
122 H GLU 15 H GLU 15 14.720 4.114 0.911
123 HA GLU 15 HA GLU 15 16.836 4.715 -0.873
124 1HB GLU 15 HB2 GLU 15 16.250 5.726 1.935
125 2HB GLU 15 HB3 GLU 15 17.486 6.414 0.889
126 1HG GLU 15 HG2 GLU 15 15.922 7.238 -0.677
127 2HG GLU 15 HG3 GLU 15 14.616 6.218 -0.084
128 H LYS 16 H LYS 16 16.961 3.396 2.487
129 HA LYS 16 HA LYS 16 19.780 3.197 2.536
130 1HB LYS 16 HB2 LYS 16 18.328 3.176 4.539
131 2HB LYS 16 HB3 LYS 16 17.719 1.586 4.091
132 1HG LYS 16 HG2 LYS 16 19.462 1.528 5.868
133 2HG LYS 16 HG3 LYS 16 19.856 0.549 4.456
134 1HD LYS 16 HD2 LYS 16 21.817 1.746 5.326
135 2HD LYS 16 HD3 LYS 16 21.469 2.201 3.665
136 1HE LYS 16 HE2 LYS 16 20.351 4.308 4.521
137 2HE LYS 16 HE3 LYS 16 20.777 3.814 6.168
138 1HZ LYS 16 HZ1 LYS 16 22.653 4.393 3.969
139 2HZ LYS 16 HZ2 LYS 16 22.344 5.343 5.276
140 3HZ LYS 16 HZ3 LYS 16 23.085 3.887 5.480
141 H GLU 17 H GLU 17 17.290 0.830 1.489
142 HA GLU 17 HA GLU 17 19.083 -1.294 0.932
143 1HB GLU 17 HB2 GLU 17 16.619 -1.521 0.922
144 2HB GLU 17 HB3 GLU 17 16.516 -0.530 -0.538
145 1HG GLU 17 HG2 GLU 17 16.337 -2.906 -1.082
146 2HG GLU 17 HG3 GLU 17 17.790 -2.221 -1.811
147 H ARG 18 H ARG 18 17.915 1.343 -1.249
148 HA ARG 18 HA ARG 18 19.621 0.628 -3.425
149 1HB ARG 18 HB2 ARG 18 18.397 3.316 -2.695
150 2HB ARG 18 HB3 ARG 18 19.210 2.962 -4.221
151 1HG ARG 18 HG2 ARG 18 16.647 1.667 -3.198
152 2HG ARG 18 HG3 ARG 18 16.814 2.827 -4.512
153 1HD ARG 18 HD2 ARG 18 17.752 -0.070 -4.429
154 2HD ARG 18 HD3 ARG 18 16.522 0.612 -5.469
155 HE ARG 18 HE ARG 18 19.399 0.619 -5.866
156 1HH1 ARG 18 HH21 ARG 18 16.464 2.418 -6.637
157 2HH1 ARG 18 HH22 ARG 18 17.077 3.054 -8.140
158 1HH2 ARG 18 HH11 ARG 18 20.216 1.416 -7.837
159 2HH2 ARG 18 HH12 ARG 18 19.257 2.491 -8.815
160 H ASN 19 H ASN 19 20.303 2.600 -0.548
161 HA ASN 19 HA ASN 19 22.767 3.684 -1.314
162 1HB ASN 19 HB2 ASN 19 21.485 3.907 0.914
163 2HB ASN 19 HB3 ASN 19 22.310 2.419 1.404
164 1HD2 ASN 19 HD22 ASN 19 24.897 3.370 -0.130
165 2HD2 ASN 19 HD21 ASN 19 25.517 4.550 1.007
166 H LYS 20 H LYS 20 21.950 0.308 -0.474
167 HA LYS 20 HA LYS 20 24.787 -0.533 -0.663
168 1HB LYS 20 HB2 LYS 20 22.270 -2.175 -0.178
169 2HB LYS 20 HB3 LYS 20 23.923 -2.739 -0.024
170 1HG LYS 20 HG2 LYS 20 22.480 -0.667 1.679
171 2HG LYS 20 HG3 LYS 20 22.951 -2.287 2.165
172 1HD LYS 20 HD2 LYS 20 24.874 0.030 1.575
173 2HD LYS 20 HD3 LYS 20 24.360 -0.552 3.149
174 1HE LYS 20 HE2 LYS 20 26.442 -1.539 2.928
175 2HE LYS 20 HE3 LYS 20 25.343 -2.856 2.494
176 1HZ LYS 20 HZ1 LYS 20 25.818 -2.348 0.185
177 2HZ LYS 20 HZ2 LYS 20 26.800 -1.103 0.626
178 3HZ LYS 20 HZ3 LYS 20 27.207 -2.652 1.009
179 H GLY 21 H GLY 21 21.646 -1.223 -2.229
180 1HA GLY 21 HA2 GLY 21 22.515 -2.975 -4.209
181 2HA GLY 21 HA3 GLY 21 21.091 -1.931 -4.332
182 H GLN 22 H GLN 22 22.246 0.592 -4.399
183 HA GLN 22 HA GLN 22 22.963 2.126 -5.898
184 1HB GLN 22 HB2 GLN 22 25.323 0.208 -5.883
185 2HB GLN 22 HB3 GLN 22 25.389 1.872 -6.486
186 1HG GLN 22 HG2 GLN 22 24.907 2.803 -4.333
187 2HG GLN 22 HG3 GLN 22 24.475 1.235 -3.652
188 1HE2 GLN 22 HE22 GLN 22 26.160 -0.426 -3.420
189 2HE2 GLN 22 HE21 GLN 22 27.825 0.106 -3.184
Start of MODEL 9
1 1H PHE 1 H1 PHE 1 -1.429 8.610 0.754
2 2H PHE 1 H2 PHE 1 -2.321 7.602 -0.185
3 3H PHE 1 H3 PHE 1 -0.965 8.318 -0.807
4 HA PHE 1 HA PHE 1 -0.594 6.014 -0.275
5 1HB PHE 1 HB2 PHE 1 1.424 6.346 1.164
6 2HB PHE 1 HB3 PHE 1 1.333 7.407 -0.231
7 HD1 PHE 1 HD1 PHE 1 1.498 9.761 0.019
8 HD2 PHE 1 HD2 PHE 1 0.704 7.314 3.484
9 HE1 PHE 1 HE1 PHE 1 1.838 11.723 1.494
10 HE2 PHE 1 HE2 PHE 1 1.006 9.290 4.943
11 HZ PHE 1 HZ PHE 1 1.593 11.493 3.955
12 H VAL 2 H VAL 2 -0.286 4.405 1.397
13 HA VAL 2 HA VAL 2 -2.014 4.778 3.790
14 HB VAL 2 HB VAL 2 -1.756 2.291 4.002
15 1HG1 VAL 2 HG11 VAL 2 -3.562 1.866 2.380
16 2HG1 VAL 2 HG12 VAL 2 -3.812 3.397 3.235
17 3HG1 VAL 2 HG13 VAL 2 -3.207 3.404 1.564
18 1HG2 VAL 2 HG21 VAL 2 -0.921 2.419 1.061
19 2HG2 VAL 2 HG22 VAL 2 0.134 1.893 2.390
20 3HG2 VAL 2 HG23 VAL 2 -1.318 0.974 1.998
21 HA PRO 3 HA PRO 3 2.135 5.303 5.483
22 1HB PRO 3 HB2 PRO 3 1.551 6.433 7.890
23 2HB PRO 3 HB3 PRO 3 1.222 7.271 6.353
24 1HG PRO 3 HG2 PRO 3 -0.722 5.622 7.994
25 2HG PRO 3 HG3 PRO 3 -0.942 7.300 7.413
26 1HD PRO 3 HD2 PRO 3 -1.922 5.148 6.048
27 2HD PRO 3 HD3 PRO 3 -1.270 6.575 5.185
28 H ILE 4 H ILE 4 1.505 2.710 5.343
29 HA ILE 4 HA ILE 4 0.674 1.338 7.585
30 HB ILE 4 HB ILE 4 2.224 -0.586 6.514
31 1HG1 ILE 4 HG12 ILE 4 2.349 -0.415 4.123
32 2HG1 ILE 4 HG13 ILE 4 1.738 1.233 4.118
33 1HG2 ILE 4 HG21 ILE 4 -0.210 -0.599 6.696
34 2HG2 ILE 4 HG22 ILE 4 -0.343 0.528 5.328
35 3HG2 ILE 4 HG23 ILE 4 0.287 -1.114 5.079
36 1HD1 ILE 4 HD11 ILE 4 3.813 2.091 4.978
37 2HD1 ILE 4 HD12 ILE 4 4.369 0.442 5.414
38 3HD1 ILE 4 HD13 ILE 4 4.193 0.921 3.720
39 H PHE 5 H PHE 5 4.038 2.080 6.856
40 HA PHE 5 HA PHE 5 4.724 1.568 9.737
41 1HB PHE 5 HB2 PHE 5 6.730 1.542 7.485
42 2HB PHE 5 HB3 PHE 5 6.911 0.920 9.119
43 HD1 PHE 5 HD1 PHE 5 7.329 -0.309 6.156
44 HD2 PHE 5 HD2 PHE 5 4.449 -0.844 9.328
45 HE1 PHE 5 HE1 PHE 5 6.672 -2.493 5.197
46 HE2 PHE 5 HE2 PHE 5 3.797 -3.025 8.358
47 HZ PHE 5 HZ PHE 5 4.881 -3.838 6.268
48 H THR 6 H THR 6 3.622 3.929 8.166
49 HA THR 6 HA THR 6 3.889 6.165 8.139
50 HB THR 6 HB THR 6 6.813 6.084 8.913
51 HG1 THR 6 HG1 THR 6 5.965 5.010 10.541
52 1HG2 THR 6 HG21 THR 6 6.287 8.270 9.863
53 2HG2 THR 6 HG22 THR 6 5.845 8.233 8.146
54 3HG2 THR 6 HG23 THR 6 4.584 8.101 9.398
55 H TYR 7 H TYR 7 3.794 6.723 6.028
56 HA TYR 7 HA TYR 7 5.089 5.347 4.005
57 1HB TYR 7 HB2 TYR 7 3.065 6.637 3.676
58 2HB TYR 7 HB3 TYR 7 3.931 8.153 3.958
59 HD1 TYR 7 HD1 TYR 7 4.468 9.374 2.009
60 HD2 TYR 7 HD2 TYR 7 4.236 5.070 1.787
61 HE1 TYR 7 HE1 TYR 7 5.165 9.449 -0.369
62 HE2 TYR 7 HE2 TYR 7 5.015 5.151 -0.556
63 HH TYR 7 HH TYR 7 6.188 6.541 -2.043
64 H GLY 8 H GLY 8 6.145 8.311 5.601
65 1HA GLY 8 HA2 GLY 8 8.405 9.011 4.081
66 2HA GLY 8 HA3 GLY 8 8.256 9.201 5.838
67 H GLU 9 H GLU 9 8.042 6.408 6.571
68 HA GLU 9 HA GLU 9 10.884 5.737 6.529
69 1HB GLU 9 HB2 GLU 9 8.476 4.256 7.651
70 2HB GLU 9 HB3 GLU 9 10.153 3.733 7.790
71 1HG GLU 9 HG2 GLU 9 10.760 5.755 9.027
72 2HG GLU 9 HG3 GLU 9 9.126 6.405 8.851
73 H LEU 10 H LEU 10 7.841 4.563 5.057
74 HA LEU 10 HA LEU 10 8.923 2.323 3.739
75 1HB LEU 10 HB2 LEU 10 6.470 3.183 4.005
76 2HB LEU 10 HB3 LEU 10 6.755 4.066 2.509
77 HG LEU 10 HG LEU 10 5.540 1.996 2.202
78 1HD1 LEU 10 HD11 LEU 10 6.643 1.095 0.320
79 2HD1 LEU 10 HD12 LEU 10 7.051 2.819 0.385
80 3HD1 LEU 10 HD13 LEU 10 8.235 1.583 0.902
81 1HD2 LEU 10 HD21 LEU 10 6.612 0.716 4.092
82 2HD2 LEU 10 HD22 LEU 10 6.415 -0.201 2.587
83 3HD2 LEU 10 HD23 LEU 10 8.009 0.418 3.037
84 H GLN 11 H GLN 11 8.837 5.752 2.670
85 HA GLN 11 HA GLN 11 10.369 5.203 0.252
86 1HB GLN 11 HB2 GLN 11 9.903 7.790 1.785
87 2HB GLN 11 HB3 GLN 11 10.779 7.672 0.257
88 1HG GLN 11 HG2 GLN 11 7.848 7.007 0.740
89 2HG GLN 11 HG3 GLN 11 8.492 8.340 -0.223
90 1HE2 GLN 11 HE22 GLN 11 10.436 7.104 -1.829
91 2HE2 GLN 11 HE21 GLN 11 9.743 5.755 -2.718
92 H ARG 12 H ARG 12 11.354 6.252 3.553
93 HA ARG 12 HA ARG 12 14.043 6.486 2.885
94 1HB ARG 12 HB2 ARG 12 13.087 7.178 5.070
95 2HB ARG 12 HB3 ARG 12 12.958 5.472 5.531
96 1HG ARG 12 HG2 ARG 12 14.945 6.440 6.526
97 2HG ARG 12 HG3 ARG 12 15.413 5.212 5.335
98 1HD ARG 12 HD2 ARG 12 15.988 6.914 3.713
99 2HD ARG 12 HD3 ARG 12 15.387 8.213 4.771
100 HE ARG 12 HE ARG 12 17.303 6.881 6.261
101 1HH1 ARG 12 HH21 ARG 12 17.234 8.553 3.117
102 2HH1 ARG 12 HH22 ARG 12 18.930 8.938 3.149
103 1HH2 ARG 12 HH11 ARG 12 19.521 7.418 6.294
104 2HH2 ARG 12 HH12 ARG 12 20.245 8.296 4.975
105 H MET 13 H MET 13 12.234 3.496 3.663
106 HA MET 13 HA MET 13 14.416 1.688 3.727
107 1HB MET 13 HB2 MET 13 11.542 1.349 2.792
108 2HB MET 13 HB3 MET 13 12.688 0.009 2.916
109 1HG MET 13 HG2 MET 13 12.933 0.291 5.278
110 2HG MET 13 HG3 MET 13 12.060 1.821 5.272
111 1HE MET 13 HE1 MET 13 9.680 -0.433 7.348
112 2HE MET 13 HE2 MET 13 11.458 -0.425 7.354
113 3HE MET 13 HE3 MET 13 10.560 1.112 7.275
114 H GLN 14 H GLN 14 12.582 3.004 0.933
115 HA GLN 14 HA GLN 14 13.932 1.456 -1.073
116 1HB GLN 14 HB2 GLN 14 12.555 4.160 -1.249
117 2HB GLN 14 HB3 GLN 14 13.137 3.245 -2.633
118 1HG GLN 14 HG2 GLN 14 11.542 1.562 -2.405
119 2HG GLN 14 HG3 GLN 14 11.276 1.874 -0.690
120 1HE2 GLN 14 HE22 GLN 14 9.456 2.935 -0.154
121 2HE2 GLN 14 HE21 GLN 14 8.514 3.941 -1.261
122 H GLU 15 H GLU 15 14.532 4.711 0.329
123 HA GLU 15 HA GLU 15 16.798 5.370 -1.289
124 1HB GLU 15 HB2 GLU 15 16.184 6.105 1.594
125 2HB GLU 15 HB3 GLU 15 17.411 6.881 0.596
126 1HG GLU 15 HG2 GLU 15 15.768 7.823 -0.882
127 2HG GLU 15 HG3 GLU 15 14.470 6.827 -0.217
128 H LYS 16 H LYS 16 16.514 3.689 1.836
129 HA LYS 16 HA LYS 16 19.255 3.341 2.338
130 1HB LYS 16 HB2 LYS 16 17.345 3.162 3.938
131 2HB LYS 16 HB3 LYS 16 16.974 1.556 3.281
132 1HG LYS 16 HG2 LYS 16 19.309 0.834 3.897
133 2HG LYS 16 HG3 LYS 16 19.585 2.422 4.615
134 1HD LYS 16 HD2 LYS 16 17.541 0.317 5.470
135 2HD LYS 16 HD3 LYS 16 19.002 0.787 6.343
136 1HE LYS 16 HE2 LYS 16 16.483 2.464 5.920
137 2HE LYS 16 HE3 LYS 16 17.090 1.788 7.432
138 1HZ LYS 16 HZ1 LYS 16 19.006 3.211 7.234
139 2HZ LYS 16 HZ2 LYS 16 18.418 3.863 5.837
140 3HZ LYS 16 HZ3 LYS 16 17.610 4.089 7.254
141 H GLU 17 H GLU 17 16.887 0.997 0.818
142 HA GLU 17 HA GLU 17 18.971 -0.948 0.462
143 1HB GLU 17 HB2 GLU 17 17.478 -2.228 -0.871
144 2HB GLU 17 HB3 GLU 17 16.661 -1.597 0.553
145 1HG GLU 17 HG2 GLU 17 15.084 -1.400 -1.173
146 2HG GLU 17 HG3 GLU 17 15.700 0.228 -0.898
147 H ARG 18 H ARG 18 17.754 1.693 -1.664
148 HA ARG 18 HA ARG 18 19.390 0.994 -3.871
149 1HB ARG 18 HB2 ARG 18 17.572 2.688 -3.885
150 2HB ARG 18 HB3 ARG 18 18.616 3.832 -3.030
151 1HG ARG 18 HG2 ARG 18 19.516 2.481 -5.609
152 2HG ARG 18 HG3 ARG 18 18.417 3.852 -5.671
153 1HD ARG 18 HD2 ARG 18 19.965 5.370 -4.798
154 2HD ARG 18 HD3 ARG 18 21.059 4.151 -4.182
155 HE ARG 18 HE ARG 18 20.915 5.185 -6.881
156 1HH1 ARG 18 HH21 ARG 18 21.940 2.386 -4.927
157 2HH1 ARG 18 HH22 ARG 18 23.052 1.778 -6.093
158 1HH2 ARG 18 HH11 ARG 18 22.445 4.439 -8.412
159 2HH2 ARG 18 HH12 ARG 18 23.386 3.005 -8.089
160 H ASN 19 H ASN 19 20.084 3.104 -1.034
161 HA ASN 19 HA ASN 19 22.730 3.779 -1.746
162 1HB ASN 19 HB2 ASN 19 21.279 4.739 0.117
163 2HB ASN 19 HB3 ASN 19 21.749 3.353 1.105
164 1HD2 ASN 19 HD22 ASN 19 24.665 3.460 -0.140
165 2HD2 ASN 19 HD21 ASN 19 25.320 4.854 0.693
166 H LYS 20 H LYS 20 21.460 0.936 0.051
167 HA LYS 20 HA LYS 20 23.969 -0.240 0.662
168 1HB LYS 20 HB2 LYS 20 21.725 -0.893 1.594
169 2HB LYS 20 HB3 LYS 20 21.364 -1.699 0.057
170 1HG LYS 20 HG2 LYS 20 23.360 -3.153 0.367
171 2HG LYS 20 HG3 LYS 20 23.699 -2.342 1.910
172 1HD LYS 20 HD2 LYS 20 21.440 -3.046 2.743
173 2HD LYS 20 HD3 LYS 20 21.172 -3.929 1.232
174 1HE LYS 20 HE2 LYS 20 23.409 -4.465 3.253
175 2HE LYS 20 HE3 LYS 20 21.928 -5.417 3.070
176 1HZ LYS 20 HZ1 LYS 20 22.614 -5.945 0.839
177 2HZ LYS 20 HZ2 LYS 20 24.011 -5.090 1.028
178 3HZ LYS 20 HZ3 LYS 20 23.738 -6.433 1.940
179 H GLY 21 H GLY 21 21.837 -0.555 -2.215
180 1HA GLY 21 HA2 GLY 21 23.684 -2.224 -3.729
181 2HA GLY 21 HA3 GLY 21 22.249 -1.375 -4.321
182 H GLN 22 H GLN 22 25.276 -0.205 -2.779
183 HA GLN 22 HA GLN 22 25.522 2.120 -4.355
184 1HB GLN 22 HB2 GLN 22 27.831 2.225 -3.459
185 2HB GLN 22 HB3 GLN 22 26.591 1.941 -2.247
186 1HG GLN 22 HG2 GLN 22 27.929 0.351 -1.457
187 2HG GLN 22 HG3 GLN 22 27.354 -0.672 -2.766
188 1HE2 GLN 22 HE22 GLN 22 28.710 -0.627 -4.834
189 2HE2 GLN 22 HE21 GLN 22 30.445 -0.400 -4.625
Start of MODEL 10
1 1H PHE 1 H1 PHE 1 -4.242 6.451 -0.397
2 2H PHE 1 H2 PHE 1 -3.710 7.841 -1.117
3 3H PHE 1 H3 PHE 1 -4.522 7.900 0.325
4 HA PHE 1 HA PHE 1 -1.923 6.638 -0.071
5 1HB PHE 1 HB2 PHE 1 -1.701 9.048 -0.283
6 2HB PHE 1 HB3 PHE 1 -2.681 9.312 1.158
7 HD1 PHE 1 HD1 PHE 1 -1.716 9.231 3.366
8 HD2 PHE 1 HD2 PHE 1 0.576 7.917 -0.044
9 HE1 PHE 1 HE1 PHE 1 0.290 8.997 4.800
10 HE2 PHE 1 HE2 PHE 1 2.579 7.698 1.389
11 HZ PHE 1 HZ PHE 1 2.436 8.220 3.826
12 H VAL 2 H VAL 2 -1.057 5.624 1.765
13 HA VAL 2 HA VAL 2 -2.503 5.781 4.313
14 HB VAL 2 HB VAL 2 -1.767 3.154 2.943
15 1HG1 VAL 2 HG11 VAL 2 -2.766 2.071 4.916
16 2HG1 VAL 2 HG12 VAL 2 -1.394 3.069 5.405
17 3HG1 VAL 2 HG13 VAL 2 -3.054 3.652 5.664
18 1HG2 VAL 2 HG21 VAL 2 -3.857 4.004 2.004
19 2HG2 VAL 2 HG22 VAL 2 -4.207 2.663 3.094
20 3HG2 VAL 2 HG23 VAL 2 -4.491 4.329 3.634
21 HA PRO 3 HA PRO 3 1.994 5.925 5.178
22 1HB PRO 3 HB2 PRO 3 1.944 6.360 7.862
23 2HB PRO 3 HB3 PRO 3 1.380 7.596 6.709
24 1HG PRO 3 HG2 PRO 3 -0.304 5.583 8.227
25 2HG PRO 3 HG3 PRO 3 -0.538 7.354 8.140
26 1HD PRO 3 HD2 PRO 3 -1.877 5.604 6.521
27 2HD PRO 3 HD3 PRO 3 -1.374 7.216 5.933
28 H ILE 4 H ILE 4 1.455 3.561 4.407
29 HA ILE 4 HA ILE 4 0.607 1.522 5.943
30 HB ILE 4 HB ILE 4 1.854 0.004 4.493
31 1HG1 ILE 4 HG12 ILE 4 3.963 0.942 4.002
32 2HG1 ILE 4 HG13 ILE 4 3.071 0.782 2.512
33 1HG2 ILE 4 HG21 ILE 4 -0.317 0.942 3.829
34 2HG2 ILE 4 HG22 ILE 4 0.501 2.253 2.959
35 3HG2 ILE 4 HG23 ILE 4 0.699 0.576 2.428
36 1HD1 ILE 4 HD11 ILE 4 2.559 3.262 2.585
37 2HD1 ILE 4 HD12 ILE 4 3.688 3.392 3.961
38 3HD1 ILE 4 HD13 ILE 4 4.257 2.837 2.396
39 H PHE 5 H PHE 5 3.991 2.291 5.618
40 HA PHE 5 HA PHE 5 4.510 1.169 8.358
41 1HB PHE 5 HB2 PHE 5 6.543 1.131 6.110
42 2HB PHE 5 HB3 PHE 5 6.653 0.346 7.678
43 HD1 PHE 5 HD1 PHE 5 6.693 -0.564 4.486
44 HD2 PHE 5 HD2 PHE 5 4.127 -1.166 7.907
45 HE1 PHE 5 HE1 PHE 5 5.779 -2.613 3.446
46 HE2 PHE 5 HE2 PHE 5 3.229 -3.218 6.862
47 HZ PHE 5 HZ PHE 5 4.042 -3.944 4.626
48 H THR 6 H THR 6 3.669 3.757 7.376
49 HA THR 6 HA THR 6 4.184 5.972 7.394
50 HB THR 6 HB THR 6 6.783 5.293 8.844
51 HG1 THR 6 HG1 THR 6 4.836 4.546 9.857
52 1HG2 THR 6 HG21 THR 6 6.730 7.589 7.928
53 2HG2 THR 6 HG22 THR 6 5.133 7.849 8.671
54 3HG2 THR 6 HG23 THR 6 6.558 7.586 9.692
55 H TYR 7 H TYR 7 4.324 6.378 5.235
56 HA TYR 7 HA TYR 7 5.954 5.112 3.459
57 1HB TYR 7 HB2 TYR 7 4.034 6.388 2.758
58 2HB TYR 7 HB3 TYR 7 4.804 7.908 3.236
59 HD1 TYR 7 HD1 TYR 7 5.226 4.963 0.935
60 HD2 TYR 7 HD2 TYR 7 6.215 9.090 1.711
61 HE1 TYR 7 HE1 TYR 7 6.614 5.016 -1.109
62 HE2 TYR 7 HE2 TYR 7 7.602 9.137 -0.341
63 HH TYR 7 HH TYR 7 8.031 6.275 -2.431
64 H GLY 8 H GLY 8 6.790 8.121 5.135
65 1HA GLY 8 HA2 GLY 8 9.214 8.741 3.818
66 2HA GLY 8 HA3 GLY 8 8.862 9.084 5.520
67 H GLU 9 H GLU 9 8.553 6.372 6.437
68 HA GLU 9 HA GLU 9 11.363 5.782 6.919
69 1HB GLU 9 HB2 GLU 9 9.590 5.526 8.673
70 2HB GLU 9 HB3 GLU 9 8.861 4.237 7.706
71 1HG GLU 9 HG2 GLU 9 10.195 3.272 9.477
72 2HG GLU 9 HG3 GLU 9 10.933 2.885 7.921
73 H LEU 10 H LEU 10 8.620 4.318 5.133
74 HA LEU 10 HA LEU 10 10.000 2.053 4.135
75 1HB LEU 10 HB2 LEU 10 7.527 2.652 3.983
76 2HB LEU 10 HB3 LEU 10 7.913 3.623 2.563
77 HG LEU 10 HG LEU 10 8.448 0.627 2.873
78 1HD1 LEU 10 HD11 LEU 10 6.515 0.322 1.402
79 2HD1 LEU 10 HD12 LEU 10 6.041 1.211 2.855
80 3HD1 LEU 10 HD13 LEU 10 6.271 2.080 1.321
81 1HD2 LEU 10 HD21 LEU 10 9.962 1.392 1.173
82 2HD2 LEU 10 HD22 LEU 10 8.574 0.748 0.315
83 3HD2 LEU 10 HD23 LEU 10 8.749 2.505 0.487
84 H GLN 11 H GLN 11 9.660 5.319 2.689
85 HA GLN 11 HA GLN 11 11.242 4.914 0.411
86 1HB GLN 11 HB2 GLN 11 9.714 6.812 0.862
87 2HB GLN 11 HB3 GLN 11 10.864 7.499 2.009
88 1HG GLN 11 HG2 GLN 11 11.698 6.919 -0.863
89 2HG GLN 11 HG3 GLN 11 10.719 8.330 -0.477
90 1HE2 GLN 11 HE22 GLN 11 13.906 6.821 0.203
91 2HE2 GLN 11 HE21 GLN 11 14.689 8.350 0.588
92 H ARG 12 H ARG 12 12.219 6.065 3.692
93 HA ARG 12 HA ARG 12 14.986 6.339 3.037
94 1HB ARG 12 HB2 ARG 12 13.460 5.984 5.622
95 2HB ARG 12 HB3 ARG 12 15.230 6.080 5.593
96 1HG ARG 12 HG2 ARG 12 15.255 8.241 4.646
97 2HG ARG 12 HG3 ARG 12 13.569 8.158 4.128
98 1HD ARG 12 HD2 ARG 12 13.985 9.618 6.169
99 2HD ARG 12 HD3 ARG 12 12.729 8.385 6.297
100 HE ARG 12 HE ARG 12 15.527 7.961 7.306
101 1HH1 ARG 12 HH21 ARG 12 12.059 8.064 8.108
102 2HH1 ARG 12 HH22 ARG 12 12.223 6.907 9.408
103 1HH2 ARG 12 HH11 ARG 12 15.708 6.576 9.106
104 2HH2 ARG 12 HH12 ARG 12 14.288 6.135 10.020
105 H MET 13 H MET 13 13.175 3.518 4.362
106 HA MET 13 HA MET 13 15.404 1.794 4.650
107 1HB MET 13 HB2 MET 13 13.133 1.345 5.531
108 2HB MET 13 HB3 MET 13 12.534 1.122 3.881
109 1HG MET 13 HG2 MET 13 14.038 -0.820 3.584
110 2HG MET 13 HG3 MET 13 14.719 -0.537 5.190
111 1HE MET 13 HE1 MET 13 10.842 -0.395 4.162
112 2HE MET 13 HE2 MET 13 11.575 -1.660 3.141
113 3HE MET 13 HE3 MET 13 10.432 -2.100 4.433
114 H GLN 14 H GLN 14 13.248 2.406 1.841
115 HA GLN 14 HA GLN 14 14.555 0.676 0.017
116 1HB GLN 14 HB2 GLN 14 12.327 1.806 -0.288
117 2HB GLN 14 HB3 GLN 14 13.189 3.313 -0.650
118 1HG GLN 14 HG2 GLN 14 14.398 2.097 -2.513
119 2HG GLN 14 HG3 GLN 14 13.374 0.689 -2.196
120 1HE2 GLN 14 HE22 GLN 14 10.851 1.530 -1.960
121 2HE2 GLN 14 HE21 GLN 14 10.364 2.498 -3.341
122 H GLU 15 H GLU 15 15.151 4.131 0.834
123 HA GLU 15 HA GLU 15 17.172 4.670 -1.023
124 1HB GLU 15 HB2 GLU 15 15.936 6.218 0.576
125 2HB GLU 15 HB3 GLU 15 17.127 5.779 1.807
126 1HG GLU 15 HG2 GLU 15 18.934 6.625 0.339
127 2HG GLU 15 HG3 GLU 15 17.734 7.036 -0.902
128 H LYS 16 H LYS 16 17.466 3.436 2.338
129 HA LYS 16 HA LYS 16 20.287 3.047 2.361
130 1HB LYS 16 HB2 LYS 16 18.053 1.605 3.838
131 2HB LYS 16 HB3 LYS 16 19.777 1.398 4.183
132 1HG LYS 16 HG2 LYS 16 20.023 3.742 4.762
133 2HG LYS 16 HG3 LYS 16 18.349 4.089 4.306
134 1HD LYS 16 HD2 LYS 16 17.556 2.456 6.035
135 2HD LYS 16 HD3 LYS 16 19.231 2.239 6.572
136 1HE LYS 16 HE2 LYS 16 17.656 4.864 6.578
137 2HE LYS 16 HE3 LYS 16 17.979 3.847 7.992
138 1HZ LYS 16 HZ1 LYS 16 20.318 4.230 7.655
139 2HZ LYS 16 HZ2 LYS 16 20.009 5.205 6.363
140 3HZ LYS 16 HZ3 LYS 16 19.509 5.649 7.867
141 H GLU 17 H GLU 17 17.611 0.822 1.470
142 HA GLU 17 HA GLU 17 19.134 -1.461 0.919
143 1HB GLU 17 HB2 GLU 17 16.649 -1.331 1.059
144 2HB GLU 17 HB3 GLU 17 16.615 -0.558 -0.534
145 1HG GLU 17 HG2 GLU 17 17.661 -2.569 -1.539
146 2HG GLU 17 HG3 GLU 17 17.716 -3.334 0.059
147 H ARG 18 H ARG 18 18.083 1.052 -1.484
148 HA ARG 18 HA ARG 18 19.679 -0.133 -3.556
149 1HB ARG 18 HB2 ARG 18 19.211 1.771 -4.900
150 2HB ARG 18 HB3 ARG 18 17.744 1.228 -4.069
151 1HG ARG 18 HG2 ARG 18 17.970 3.087 -2.459
152 2HG ARG 18 HG3 ARG 18 19.462 3.621 -3.241
153 1HD ARG 18 HD2 ARG 18 17.596 5.000 -3.925
154 2HD ARG 18 HD3 ARG 18 18.245 4.143 -5.309
155 HE ARG 18 HE ARG 18 15.633 3.782 -3.945
156 1HH1 ARG 18 HH21 ARG 18 17.805 2.512 -6.437
157 2HH1 ARG 18 HH22 ARG 18 16.525 1.785 -7.366
158 1HH2 ARG 18 HH11 ARG 18 13.956 2.838 -5.157
159 2HH2 ARG 18 HH12 ARG 18 14.319 1.945 -6.608
160 H ASN 19 H ASN 19 20.388 2.439 -1.174
161 HA ASN 19 HA ASN 19 22.839 3.308 -2.273
162 1HB ASN 19 HB2 ASN 19 21.798 4.540 -0.474
163 2HB ASN 19 HB3 ASN 19 21.894 3.139 0.607
164 1HD2 ASN 19 HD22 ASN 19 24.188 5.048 -1.484
165 2HD2 ASN 19 HD21 ASN 19 25.421 5.119 -0.236
166 H LYS 20 H LYS 20 22.189 0.597 0.029
167 HA LYS 20 HA LYS 20 24.952 -0.291 0.055
168 1HB LYS 20 HB2 LYS 20 22.334 -1.735 0.613
169 2HB LYS 20 HB3 LYS 20 23.943 -2.457 0.821
170 1HG LYS 20 HG2 LYS 20 24.558 -0.589 2.371
171 2HG LYS 20 HG3 LYS 20 22.907 0.015 2.287
172 1HD LYS 20 HD2 LYS 20 23.830 -2.718 3.318
173 2HD LYS 20 HD3 LYS 20 23.288 -1.359 4.309
174 1HE LYS 20 HE2 LYS 20 21.577 -2.987 2.367
175 2HE LYS 20 HE3 LYS 20 21.509 -3.019 4.130
176 1HZ LYS 20 HZ1 LYS 20 20.836 -0.728 4.095
177 2HZ LYS 20 HZ2 LYS 20 20.889 -0.696 2.447
178 3HZ LYS 20 HZ3 LYS 20 19.793 -1.658 3.218
179 H GLY 21 H GLY 21 22.058 -1.288 -1.834
180 1HA GLY 21 HA2 GLY 21 23.522 -3.180 -3.463
181 2HA GLY 21 HA3 GLY 21 21.853 -2.637 -3.664
182 H GLN 22 H GLN 22 25.032 -0.961 -3.807
183 HA GLN 22 HA GLN 22 24.369 0.113 -6.529
184 1HB GLN 22 HB2 GLN 22 26.430 0.922 -4.440
185 2HB GLN 22 HB3 GLN 22 26.450 1.495 -6.118
186 1HG GLN 22 HG2 GLN 22 24.190 2.436 -5.871
187 2HG GLN 22 HG3 GLN 22 24.122 1.874 -4.199
188 1HE2 GLN 22 HE22 GLN 22 25.610 2.833 -2.622
189 2HE2 GLN 22 HE21 GLN 22 26.320 4.417 -2.942
Start of MODEL 11
1 1H PHE 1 H1 PHE 1 0.053 8.413 -1.410
2 2H PHE 1 H2 PHE 1 -0.841 8.482 -0.020
3 3H PHE 1 H3 PHE 1 -1.198 7.360 -1.162
4 HA PHE 1 HA PHE 1 0.835 6.234 -0.819
5 1HB PHE 1 HB2 PHE 1 2.320 6.895 1.011
6 2HB PHE 1 HB3 PHE 1 2.226 8.133 -0.230
7 HD1 PHE 1 HD1 PHE 1 1.314 10.341 0.255
8 HD2 PHE 1 HD2 PHE 1 1.203 7.231 3.242
9 HE1 PHE 1 HE1 PHE 1 0.649 12.003 1.969
10 HE2 PHE 1 HE2 PHE 1 0.514 8.898 4.944
11 HZ PHE 1 HZ PHE 1 0.241 11.283 4.312
12 H VAL 2 H VAL 2 1.214 4.732 1.032
13 HA VAL 2 HA VAL 2 -1.103 4.550 2.894
14 HB VAL 2 HB VAL 2 -1.408 2.880 1.294
15 1HG1 VAL 2 HG11 VAL 2 1.425 1.846 1.724
16 2HG1 VAL 2 HG12 VAL 2 0.158 1.113 0.737
17 3HG1 VAL 2 HG13 VAL 2 0.827 2.678 0.274
18 1HG2 VAL 2 HG21 VAL 2 -0.173 1.624 3.774
19 2HG2 VAL 2 HG22 VAL 2 -1.817 2.286 3.650
20 3HG2 VAL 2 HG23 VAL 2 -1.354 0.874 2.684
21 HA PRO 3 HA PRO 3 2.628 5.120 5.322
22 1HB PRO 3 HB2 PRO 3 1.592 6.082 7.649
23 2HB PRO 3 HB3 PRO 3 1.469 6.986 6.120
24 1HG PRO 3 HG2 PRO 3 -0.614 5.141 7.328
25 2HG PRO 3 HG3 PRO 3 -0.842 6.834 6.798
26 1HD PRO 3 HD2 PRO 3 -1.436 4.705 5.186
27 2HD PRO 3 HD3 PRO 3 -0.759 6.221 4.517
28 H ILE 4 H ILE 4 2.226 2.522 4.966
29 HA ILE 4 HA ILE 4 1.115 0.939 6.907
30 HB ILE 4 HB ILE 4 3.323 -0.617 6.090
31 1HG1 ILE 4 HG12 ILE 4 3.399 -0.395 3.668
32 2HG1 ILE 4 HG13 ILE 4 2.465 1.093 3.726
33 1HG2 ILE 4 HG21 ILE 4 0.997 -1.325 6.224
34 2HG2 ILE 4 HG22 ILE 4 0.594 -0.341 4.801
35 3HG2 ILE 4 HG23 ILE 4 1.699 -1.721 4.648
36 1HD1 ILE 4 HD11 ILE 4 4.374 2.227 4.873
37 2HD1 ILE 4 HD12 ILE 4 5.214 0.664 4.979
38 3HD1 ILE 4 HD13 ILE 4 4.905 1.410 3.411
39 H PHE 5 H PHE 5 4.518 1.833 6.857
40 HA PHE 5 HA PHE 5 4.490 1.721 9.839
41 1HB PHE 5 HB2 PHE 5 6.806 0.981 9.897
42 2HB PHE 5 HB3 PHE 5 5.733 -0.235 9.234
43 HD1 PHE 5 HD1 PHE 5 5.901 -0.959 6.895
44 HD2 PHE 5 HD2 PHE 5 8.584 1.980 8.545
45 HE1 PHE 5 HE1 PHE 5 7.463 -1.319 5.003
46 HE2 PHE 5 HE2 PHE 5 10.147 1.612 6.648
47 HZ PHE 5 HZ PHE 5 9.593 -0.041 4.885
48 H THR 6 H THR 6 3.808 3.757 8.012
49 HA THR 6 HA THR 6 4.059 6.000 7.952
50 HB THR 6 HB THR 6 6.937 5.954 8.880
51 HG1 THR 6 HG1 THR 6 5.994 4.956 10.498
52 1HG2 THR 6 HG21 THR 6 4.698 8.000 9.142
53 2HG2 THR 6 HG22 THR 6 6.366 8.182 9.716
54 3HG2 THR 6 HG23 THR 6 6.040 8.080 7.976
55 H TYR 7 H TYR 7 4.063 6.562 5.872
56 HA TYR 7 HA TYR 7 5.475 5.296 3.845
57 1HB TYR 7 HB2 TYR 7 3.505 6.566 3.355
58 2HB TYR 7 HB3 TYR 7 4.241 8.067 3.925
59 HD1 TYR 7 HD1 TYR 7 5.439 9.465 2.413
60 HD2 TYR 7 HD2 TYR 7 4.670 5.357 1.351
61 HE1 TYR 7 HE1 TYR 7 6.670 9.780 0.288
62 HE2 TYR 7 HE2 TYR 7 5.866 5.687 -0.788
63 HH TYR 7 HH TYR 7 6.994 7.176 -2.124
64 H GLY 8 H GLY 8 6.401 8.224 5.603
65 1HA GLY 8 HA2 GLY 8 8.721 8.985 4.206
66 2HA GLY 8 HA3 GLY 8 8.493 9.147 5.957
67 H GLU 9 H GLU 9 8.278 6.365 6.638
68 HA GLU 9 HA GLU 9 11.121 5.728 6.729
69 1HB GLU 9 HB2 GLU 9 8.682 4.302 7.847
70 2HB GLU 9 HB3 GLU 9 10.361 3.799 8.067
71 1HG GLU 9 HG2 GLU 9 10.872 6.051 9.069
72 2HG GLU 9 HG3 GLU 9 9.161 6.456 8.990
73 H LEU 10 H LEU 10 8.194 4.490 5.054
74 HA LEU 10 HA LEU 10 9.483 2.270 3.804
75 1HB LEU 10 HB2 LEU 10 7.018 2.684 3.684
76 2HB LEU 10 HB3 LEU 10 7.325 4.075 2.639
77 HG LEU 10 HG LEU 10 8.513 2.436 1.023
78 1HD1 LEU 10 HD11 LEU 10 8.738 0.514 2.550
79 2HD1 LEU 10 HD12 LEU 10 6.973 0.419 2.717
80 3HD1 LEU 10 HD13 LEU 10 7.743 0.097 1.150
81 1HD2 LEU 10 HD21 LEU 10 6.402 1.782 -0.017
82 2HD2 LEU 10 HD22 LEU 10 5.515 2.239 1.450
83 3HD2 LEU 10 HD23 LEU 10 6.385 3.469 0.517
84 H GLN 11 H GLN 11 9.174 5.681 2.720
85 HA GLN 11 HA GLN 11 10.687 5.355 0.355
86 1HB GLN 11 HB2 GLN 11 9.188 7.272 0.846
87 2HB GLN 11 HB3 GLN 11 10.327 7.851 2.070
88 1HG GLN 11 HG2 GLN 11 10.607 9.096 -0.018
89 2HG GLN 11 HG3 GLN 11 12.057 8.159 0.333
90 1HE2 GLN 11 HE22 GLN 11 8.982 8.043 -1.618
91 2HE2 GLN 11 HE21 GLN 11 9.747 7.183 -2.942
92 H ARG 12 H ARG 12 11.707 6.389 3.655
93 HA ARG 12 HA ARG 12 14.450 6.705 3.198
94 1HB ARG 12 HB2 ARG 12 13.274 7.180 5.339
95 2HB ARG 12 HB3 ARG 12 13.085 5.441 5.592
96 1HG ARG 12 HG2 ARG 12 15.639 5.248 5.548
97 2HG ARG 12 HG3 ARG 12 15.686 7.017 5.508
98 1HD ARG 12 HD2 ARG 12 15.921 6.217 7.824
99 2HD ARG 12 HD3 ARG 12 14.372 7.066 7.625
100 HE ARG 12 HE ARG 12 14.254 4.173 7.185
101 1HH1 ARG 12 HH11 ARG 12 14.069 6.668 9.689
102 2HH1 ARG 12 HH12 ARG 12 12.979 5.752 10.699
103 1HH2 ARG 12 HH21 ARG 12 12.869 2.970 8.522
104 2HH2 ARG 12 HH22 ARG 12 12.196 3.681 9.969
105 H MET 13 H MET 13 12.712 3.642 4.068
106 HA MET 13 HA MET 13 14.958 1.939 3.959
107 1HB MET 13 HB2 MET 13 12.848 1.328 4.952
108 2HB MET 13 HB3 MET 13 12.011 1.390 3.408
109 1HG MET 13 HG2 MET 13 14.317 -0.500 4.025
110 2HG MET 13 HG3 MET 13 12.622 -0.905 4.295
111 1HE MET 13 HE1 MET 13 10.811 -1.170 2.377
112 2HE MET 13 HE2 MET 13 11.231 0.364 1.566
113 3HE MET 13 HE3 MET 13 11.209 -1.148 0.645
114 H GLN 14 H GLN 14 12.602 2.786 1.391
115 HA GLN 14 HA GLN 14 13.694 1.318 -0.707
116 1HB GLN 14 HB2 GLN 14 11.526 2.519 -0.733
117 2HB GLN 14 HB3 GLN 14 12.379 4.067 -0.870
118 1HG GLN 14 HG2 GLN 14 13.305 3.425 -3.037
119 2HG GLN 14 HG3 GLN 14 12.633 1.788 -2.856
120 1HE2 GLN 14 HE22 GLN 14 11.409 5.228 -2.672
121 2HE2 GLN 14 HE21 GLN 14 9.980 4.850 -3.633
122 H GLU 15 H GLU 15 14.632 4.624 0.382
123 HA GLU 15 HA GLU 15 16.697 4.988 -1.589
124 1HB GLU 15 HB2 GLU 15 16.330 6.168 1.193
125 2HB GLU 15 HB3 GLU 15 17.595 6.652 0.059
126 1HG GLU 15 HG2 GLU 15 15.952 7.400 -1.574
127 2HG GLU 15 HG3 GLU 15 14.616 6.784 -0.596
128 H LYS 16 H LYS 16 16.781 3.711 1.784
129 HA LYS 16 HA LYS 16 19.568 3.252 1.868
130 1HB LYS 16 HB2 LYS 16 17.299 1.826 3.294
131 2HB LYS 16 HB3 LYS 16 18.999 1.532 3.642
132 1HG LYS 16 HG2 LYS 16 17.745 4.304 3.832
133 2HG LYS 16 HG3 LYS 16 17.808 3.158 5.176
134 1HD LYS 16 HD2 LYS 16 20.298 3.087 4.994
135 2HD LYS 16 HD3 LYS 16 20.231 4.297 3.698
136 1HE LYS 16 HE2 LYS 16 19.119 5.897 5.235
137 2HE LYS 16 HE3 LYS 16 19.220 4.702 6.546
138 1HZ LYS 16 HZ1 LYS 16 21.503 5.870 5.114
139 2HZ LYS 16 HZ2 LYS 16 21.002 6.274 6.631
140 3HZ LYS 16 HZ3 LYS 16 21.597 4.766 6.333
141 H GLU 17 H GLU 17 17.005 1.168 0.447
142 HA GLU 17 HA GLU 17 18.660 -1.051 -0.082
143 1HB GLU 17 HB2 GLU 17 16.573 0.080 -1.990
144 2HB GLU 17 HB3 GLU 17 17.268 -1.542 -2.016
145 1HG GLU 17 HG2 GLU 17 15.441 -0.382 0.109
146 2HG GLU 17 HG3 GLU 17 15.101 -1.699 -1.001
147 H ARG 18 H ARG 18 18.699 2.112 -1.762
148 HA ARG 18 HA ARG 18 20.446 1.152 -3.894
149 1HB ARG 18 HB2 ARG 18 19.772 3.957 -2.906
150 2HB ARG 18 HB3 ARG 18 20.971 3.617 -4.145
151 1HG ARG 18 HG2 ARG 18 18.912 4.215 -5.209
152 2HG ARG 18 HG3 ARG 18 19.308 2.529 -5.572
153 1HD ARG 18 HD2 ARG 18 17.653 1.767 -3.925
154 2HD ARG 18 HD3 ARG 18 17.289 3.451 -3.474
155 HE ARG 18 HE ARG 18 16.884 3.298 -6.220
156 1HH1 ARG 18 HH21 ARG 18 15.517 1.829 -3.304
157 2HH1 ARG 18 HH22 ARG 18 14.187 1.069 -4.148
158 1HH2 ARG 18 HH11 ARG 18 14.988 2.553 -7.268
159 2HH2 ARG 18 HH12 ARG 18 13.778 1.658 -6.390
160 H ASN 19 H ASN 19 20.866 2.630 -0.676
161 HA ASN 19 HA ASN 19 23.699 2.947 -0.808
162 1HB ASN 19 HB2 ASN 19 22.116 3.921 0.915
163 2HB ASN 19 HB3 ASN 19 22.111 2.344 1.711
164 1HD2 ASN 19 HD22 ASN 19 25.223 2.103 0.858
165 2HD2 ASN 19 HD21 ASN 19 25.933 3.113 2.096
166 H LYS 20 H LYS 20 21.617 0.222 0.269
167 HA LYS 20 HA LYS 20 23.739 -1.556 1.023
168 1HB LYS 20 HB2 LYS 20 20.940 -2.143 -0.027
169 2HB LYS 20 HB3 LYS 20 22.032 -3.342 0.675
170 1HG LYS 20 HG2 LYS 20 22.031 -2.182 2.827
171 2HG LYS 20 HG3 LYS 20 21.046 -0.870 2.163
172 1HD LYS 20 HD2 LYS 20 19.247 -2.550 1.621
173 2HD LYS 20 HD3 LYS 20 20.202 -3.789 2.451
174 1HE LYS 20 HE2 LYS 20 20.056 -2.506 4.560
175 2HE LYS 20 HE3 LYS 20 19.207 -1.189 3.723
176 1HZ LYS 20 HZ1 LYS 20 17.428 -2.673 3.253
177 2HZ LYS 20 HZ2 LYS 20 18.197 -3.928 4.002
178 3HZ LYS 20 HZ3 LYS 20 17.703 -2.621 4.879
179 H GLY 21 H GLY 21 21.957 -1.097 -2.059
180 1HA GLY 21 HA2 GLY 21 23.234 -3.020 -3.641
181 2HA GLY 21 HA3 GLY 21 22.566 -1.489 -4.227
182 H GLN 22 H GLN 22 24.241 0.379 -2.982
183 HA GLN 22 HA GLN 22 27.025 -0.322 -3.333
184 1HB GLN 22 HB2 GLN 22 27.480 1.389 -5.066
185 2HB GLN 22 HB3 GLN 22 26.647 -0.036 -5.671
186 1HG GLN 22 HG2 GLN 22 25.092 2.501 -4.981
187 2HG GLN 22 HG3 GLN 22 25.946 2.304 -6.505
188 1HE2 GLN 22 HE22 GLN 22 23.110 1.252 -4.678
189 2HE2 GLN 22 HE21 GLN 22 22.401 0.389 -6.040
Start of MODEL 12
1 1H PHE 1 H1 PHE 1 -3.051 6.124 -1.367
2 2H PHE 1 H2 PHE 1 -3.042 7.700 -1.864
3 3H PHE 1 H3 PHE 1 -4.139 7.186 -0.737
4 HA PHE 1 HA PHE 1 -1.249 7.263 -0.362
5 1HB PHE 1 HB2 PHE 1 -2.277 9.501 -0.472
6 2HB PHE 1 HB3 PHE 1 -3.415 9.054 0.792
7 HD1 PHE 1 HD1 PHE 1 0.064 10.003 0.028
8 HD2 PHE 1 HD2 PHE 1 -2.659 8.794 3.147
9 HE1 PHE 1 HE1 PHE 1 1.671 10.794 1.743
10 HE2 PHE 1 HE2 PHE 1 -1.029 9.551 4.857
11 HZ PHE 1 HZ PHE 1 1.129 10.565 4.159
12 H VAL 2 H VAL 2 -0.631 5.729 1.086
13 HA VAL 2 HA VAL 2 -2.404 5.066 3.360
14 HB VAL 2 HB VAL 2 -2.948 3.430 1.756
15 1HG1 VAL 2 HG11 VAL 2 -0.923 3.478 0.299
16 2HG1 VAL 2 HG12 VAL 2 -0.049 2.538 1.529
17 3HG1 VAL 2 HG13 VAL 2 -1.468 1.856 0.737
18 1HG2 VAL 2 HG21 VAL 2 -2.813 2.746 4.097
19 2HG2 VAL 2 HG22 VAL 2 -2.402 1.400 3.019
20 3HG2 VAL 2 HG23 VAL 2 -1.118 2.265 3.888
21 HA PRO 3 HA PRO 3 1.842 5.816 4.819
22 1HB PRO 3 HB2 PRO 3 1.311 6.622 7.361
23 2HB PRO 3 HB3 PRO 3 0.884 7.621 5.948
24 1HG PRO 3 HG2 PRO 3 -0.913 5.721 7.478
25 2HG PRO 3 HG3 PRO 3 -1.232 7.433 7.070
26 1HD PRO 3 HD2 PRO 3 -2.160 5.347 5.562
27 2HD PRO 3 HD3 PRO 3 -1.674 6.897 4.810
28 H ILE 4 H ILE 4 1.511 3.307 4.351
29 HA ILE 4 HA ILE 4 0.723 1.431 6.137
30 HB ILE 4 HB ILE 4 3.009 0.205 5.007
31 1HG1 ILE 4 HG12 ILE 4 2.968 0.725 2.651
32 2HG1 ILE 4 HG13 ILE 4 1.885 2.083 2.900
33 1HG2 ILE 4 HG21 ILE 4 0.222 0.380 3.843
34 2HG2 ILE 4 HG22 ILE 4 1.438 -0.870 3.520
35 3HG2 ILE 4 HG23 ILE 4 0.749 -0.712 5.143
36 1HD1 ILE 4 HD11 ILE 4 4.247 2.716 2.513
37 2HD1 ILE 4 HD12 ILE 4 3.696 3.315 4.068
38 3HD1 ILE 4 HD13 ILE 4 4.729 1.863 3.992
39 H PHE 5 H PHE 5 4.030 2.550 5.913
40 HA PHE 5 HA PHE 5 4.496 1.754 8.779
41 1HB PHE 5 HB2 PHE 5 6.665 2.047 6.700
42 2HB PHE 5 HB3 PHE 5 6.747 1.244 8.261
43 HD1 PHE 5 HD1 PHE 5 4.531 -0.647 8.291
44 HD2 PHE 5 HD2 PHE 5 7.051 0.501 4.977
45 HE1 PHE 5 HE1 PHE 5 3.930 -2.732 7.102
46 HE2 PHE 5 HE2 PHE 5 6.434 -1.579 3.793
47 HZ PHE 5 HZ PHE 5 4.868 -3.196 4.843
48 H THR 6 H THR 6 3.363 4.222 7.458
49 HA THR 6 HA THR 6 3.601 6.479 7.404
50 HB THR 6 HB THR 6 5.823 6.179 9.470
51 HG1 THR 6 HG1 THR 6 3.764 5.207 9.989
52 1HG2 THR 6 HG21 THR 6 3.966 8.495 8.772
53 2HG2 THR 6 HG22 THR 6 5.719 8.434 8.461
54 3HG2 THR 6 HG23 THR 6 5.112 8.441 10.125
55 H TYR 7 H TYR 7 4.174 6.600 5.302
56 HA TYR 7 HA TYR 7 5.952 5.689 3.745
57 1HB TYR 7 HB2 TYR 7 5.078 8.583 3.794
58 2HB TYR 7 HB3 TYR 7 6.101 7.954 2.509
59 HD1 TYR 7 HD1 TYR 7 5.372 5.887 1.201
60 HD2 TYR 7 HD2 TYR 7 2.683 8.264 3.593
61 HE1 TYR 7 HE1 TYR 7 3.468 5.078 -0.144
62 HE2 TYR 7 HE2 TYR 7 0.773 7.438 2.247
63 HH TYR 7 HH TYR 7 1.220 5.219 -0.520
64 H GLY 8 H GLY 8 7.006 8.583 5.512
65 1HA GLY 8 HA2 GLY 8 9.559 9.010 4.621
66 2HA GLY 8 HA3 GLY 8 9.108 9.124 6.328
67 H GLU 9 H GLU 9 8.623 6.415 6.938
68 HA GLU 9 HA GLU 9 11.289 5.452 7.428
69 1HB GLU 9 HB2 GLU 9 8.640 3.942 7.553
70 2HB GLU 9 HB3 GLU 9 10.159 3.474 8.324
71 1HG GLU 9 HG2 GLU 9 8.470 5.933 9.010
72 2HG GLU 9 HG3 GLU 9 8.614 4.453 9.949
73 H LEU 10 H LEU 10 8.748 4.531 5.091
74 HA LEU 10 HA LEU 10 10.172 2.284 3.998
75 1HB LEU 10 HB2 LEU 10 7.742 2.493 3.781
76 2HB LEU 10 HB3 LEU 10 7.916 3.993 2.870
77 HG LEU 10 HG LEU 10 9.017 2.808 1.021
78 1HD1 LEU 10 HD11 LEU 10 10.107 0.933 2.176
79 2HD1 LEU 10 HD12 LEU 10 8.528 0.300 2.696
80 3HD1 LEU 10 HD13 LEU 10 8.975 0.306 0.978
81 1HD2 LEU 10 HD21 LEU 10 7.045 1.607 0.223
82 2HD2 LEU 10 HD22 LEU 10 6.399 1.516 1.875
83 3HD2 LEU 10 HD23 LEU 10 6.565 3.091 1.064
84 H GLN 11 H GLN 11 9.828 5.748 3.091
85 HA GLN 11 HA GLN 11 11.474 5.512 0.763
86 1HB GLN 11 HB2 GLN 11 11.144 8.039 2.424
87 2HB GLN 11 HB3 GLN 11 11.600 7.894 0.725
88 1HG GLN 11 HG2 GLN 11 8.900 7.675 2.003
89 2HG GLN 11 HG3 GLN 11 9.370 8.506 0.530
90 1HE2 GLN 11 HE22 GLN 11 10.363 6.699 -1.178
91 2HE2 GLN 11 HE21 GLN 11 9.403 5.232 -1.290
92 H ARG 12 H ARG 12 12.351 6.326 4.160
93 HA ARG 12 HA ARG 12 15.109 6.672 3.636
94 1HB ARG 12 HB2 ARG 12 13.982 7.213 5.784
95 2HB ARG 12 HB3 ARG 12 13.873 5.477 6.146
96 1HG ARG 12 HG2 ARG 12 16.350 5.299 6.052
97 2HG ARG 12 HG3 ARG 12 16.464 7.001 5.579
98 1HD ARG 12 HD2 ARG 12 17.004 6.734 7.922
99 2HD ARG 12 HD3 ARG 12 15.545 7.693 7.769
100 HE ARG 12 HE ARG 12 15.854 4.892 8.740
101 1HH1 ARG 12 HH11 ARG 12 13.570 7.518 8.063
102 2HH1 ARG 12 HH12 ARG 12 12.361 6.931 9.171
103 1HH2 ARG 12 HH21 ARG 12 14.257 4.075 10.105
104 2HH2 ARG 12 HH22 ARG 12 12.733 4.897 10.303
105 H MET 13 H MET 13 13.264 3.663 4.401
106 HA MET 13 HA MET 13 15.464 1.879 4.263
107 1HB MET 13 HB2 MET 13 12.512 1.501 3.652
108 2HB MET 13 HB3 MET 13 13.669 0.181 3.582
109 1HG MET 13 HG2 MET 13 13.249 1.926 6.039
110 2HG MET 13 HG3 MET 13 12.407 0.405 5.760
111 1HE MET 13 HE1 MET 13 14.728 -1.539 4.602
112 2HE MET 13 HE2 MET 13 15.233 -2.247 6.148
113 3HE MET 13 HE3 MET 13 13.508 -1.955 5.832
114 H GLN 14 H GLN 14 13.270 2.944 1.594
115 HA GLN 14 HA GLN 14 14.581 1.484 -0.453
116 1HB GLN 14 HB2 GLN 14 13.095 4.145 -0.581
117 2HB GLN 14 HB3 GLN 14 13.689 3.264 -1.993
118 1HG GLN 14 HG2 GLN 14 12.310 1.287 -1.338
119 2HG GLN 14 HG3 GLN 14 11.648 2.209 0.011
120 1HE2 GLN 14 HE22 GLN 14 12.037 2.307 -3.574
121 2HE2 GLN 14 HE21 GLN 14 10.531 3.162 -3.858
122 H GLU 15 H GLU 15 15.242 4.831 0.712
123 HA GLU 15 HA GLU 15 17.391 5.354 -1.068
124 1HB GLU 15 HB2 GLU 15 16.803 6.353 1.751
125 2HB GLU 15 HB3 GLU 15 18.159 6.944 0.788
126 1HG GLU 15 HG2 GLU 15 15.240 7.091 -0.097
127 2HG GLU 15 HG3 GLU 15 16.153 8.415 0.637
128 H LYS 16 H LYS 16 17.471 3.909 2.229
129 HA LYS 16 HA LYS 16 20.269 3.518 2.361
130 1HB LYS 16 HB2 LYS 16 18.782 3.324 4.275
131 2HB LYS 16 HB3 LYS 16 17.976 1.924 3.552
132 1HG LYS 16 HG2 LYS 16 20.023 0.583 3.745
133 2HG LYS 16 HG3 LYS 16 20.939 2.001 4.265
134 1HD LYS 16 HD2 LYS 16 20.326 0.490 6.150
135 2HD LYS 16 HD3 LYS 16 19.737 2.143 6.350
136 1HE LYS 16 HE2 LYS 16 18.067 0.411 7.021
137 2HE LYS 16 HE3 LYS 16 17.470 1.504 5.773
138 1HZ LYS 16 HZ1 LYS 16 18.512 -1.208 5.321
139 2HZ LYS 16 HZ2 LYS 16 16.928 -0.744 5.292
140 3HZ LYS 16 HZ3 LYS 16 17.968 -0.184 4.147
141 H GLU 17 H GLU 17 17.692 1.308 1.179
142 HA GLU 17 HA GLU 17 19.331 -0.864 0.413
143 1HB GLU 17 HB2 GLU 17 16.690 0.184 -0.663
144 2HB GLU 17 HB3 GLU 17 17.408 -1.339 -1.200
145 1HG GLU 17 HG2 GLU 17 17.207 -2.355 0.930
146 2HG GLU 17 HG3 GLU 17 16.968 -0.819 1.763
147 H ARG 18 H ARG 18 18.301 2.019 -1.509
148 HA ARG 18 HA ARG 18 19.731 1.228 -3.831
149 1HB ARG 18 HB2 ARG 18 18.771 3.913 -2.802
150 2HB ARG 18 HB3 ARG 18 19.637 3.799 -4.327
151 1HG ARG 18 HG2 ARG 18 17.178 2.075 -3.853
152 2HG ARG 18 HG3 ARG 18 17.035 3.780 -4.275
153 1HD ARG 18 HD2 ARG 18 16.853 2.640 -6.307
154 2HD ARG 18 HD3 ARG 18 18.441 3.378 -6.343
155 HE ARG 18 HE ARG 18 17.694 0.516 -6.152
156 1HH1 ARG 18 HH21 ARG 18 20.439 2.813 -6.112
157 2HH1 ARG 18 HH22 ARG 18 21.602 1.513 -6.312
158 1HH2 ARG 18 HH11 ARG 18 19.310 -1.071 -6.592
159 2HH2 ARG 18 HH12 ARG 18 20.995 -0.557 -6.617
160 H ASN 19 H ASN 19 20.705 3.253 -1.068
161 HA ASN 19 HA ASN 19 23.268 4.017 -2.099
162 1HB ASN 19 HB2 ASN 19 22.086 3.886 0.691
163 2HB ASN 19 HB3 ASN 19 23.811 4.165 0.458
164 1HD2 ASN 19 HD22 ASN 19 20.623 5.461 -0.621
165 2HD2 ASN 19 HD21 ASN 19 21.212 7.111 -0.797
166 H LYS 20 H LYS 20 22.202 1.136 -0.256
167 HA LYS 20 HA LYS 20 24.825 -0.054 -0.143
168 1HB LYS 20 HB2 LYS 20 22.858 -0.719 1.226
169 2HB LYS 20 HB3 LYS 20 22.101 -1.424 -0.211
170 1HG LYS 20 HG2 LYS 20 24.139 -2.913 -0.462
171 2HG LYS 20 HG3 LYS 20 24.737 -2.281 1.073
172 1HD LYS 20 HD2 LYS 20 22.145 -3.829 0.570
173 2HD LYS 20 HD3 LYS 20 23.594 -4.446 1.365
174 1HE LYS 20 HE2 LYS 20 21.704 -2.293 2.427
175 2HE LYS 20 HE3 LYS 20 21.905 -3.938 3.035
176 1HZ LYS 20 HZ1 LYS 20 24.158 -3.388 3.622
177 2HZ LYS 20 HZ2 LYS 20 23.958 -1.844 3.081
178 3HZ LYS 20 HZ3 LYS 20 23.088 -2.383 4.370
179 H GLY 21 H GLY 21 22.054 -0.558 -2.370
180 1HA GLY 21 HA2 GLY 21 23.478 -2.298 -4.173
181 2HA GLY 21 HA3 GLY 21 21.852 -1.627 -4.360
182 H GLN 22 H GLN 22 25.189 -0.388 -4.258
183 HA GLN 22 HA GLN 22 24.888 1.784 -6.070
184 1HB GLN 22 HB2 GLN 22 27.267 0.050 -5.305
185 2HB GLN 22 HB3 GLN 22 27.418 1.538 -6.250
186 1HG GLN 22 HG2 GLN 22 26.957 2.920 -4.469
187 2HG GLN 22 HG3 GLN 22 25.871 1.775 -3.693
188 1HE2 GLN 22 HE22 GLN 22 26.782 -0.071 -2.485
189 2HE2 GLN 22 HE21 GLN 22 28.408 0.093 -1.831
Start of MODEL 13
1 1H PHE 1 H1 PHE 1 2.852 8.426 -2.273
2 2H PHE 1 H2 PHE 1 1.422 7.602 -2.375
3 3H PHE 1 H3 PHE 1 2.832 6.778 -2.174
4 HA PHE 1 HA PHE 1 3.149 7.698 -0.030
5 1HB PHE 1 HB2 PHE 1 2.036 9.850 -0.526
6 2HB PHE 1 HB3 PHE 1 0.471 9.047 -0.522
7 HD1 PHE 1 HD1 PHE 1 -0.476 8.134 1.625
8 HD2 PHE 1 HD2 PHE 1 3.136 10.480 1.521
9 HE1 PHE 1 HE1 PHE 1 -0.564 8.384 4.090
10 HE2 PHE 1 HE2 PHE 1 3.052 10.715 3.989
11 HZ PHE 1 HZ PHE 1 1.218 9.644 5.280
12 H VAL 2 H VAL 2 2.854 5.920 1.255
13 HA VAL 2 HA VAL 2 0.197 4.613 1.349
14 HB VAL 2 HB VAL 2 1.371 2.399 1.404
15 1HG1 VAL 2 HG11 VAL 2 1.410 3.917 -1.237
16 2HG1 VAL 2 HG12 VAL 2 1.311 2.161 -1.020
17 3HG1 VAL 2 HG13 VAL 2 -0.025 3.189 -0.484
18 1HG2 VAL 2 HG21 VAL 2 3.462 2.158 0.147
19 2HG2 VAL 2 HG22 VAL 2 3.623 3.913 -0.007
20 3HG2 VAL 2 HG23 VAL 2 3.742 3.134 1.585
21 HA PRO 3 HA PRO 3 1.668 5.135 5.632
22 1HB PRO 3 HB2 PRO 3 -0.728 5.258 6.890
23 2HB PRO 3 HB3 PRO 3 -0.125 6.616 5.897
24 1HG PRO 3 HG2 PRO 3 -2.134 4.493 5.120
25 2HG PRO 3 HG3 PRO 3 -2.221 6.250 4.830
26 1HD PRO 3 HD2 PRO 3 -1.338 4.372 2.980
27 2HD PRO 3 HD3 PRO 3 -0.820 6.082 2.961
28 H ILE 4 H ILE 4 2.616 3.264 6.104
29 HA ILE 4 HA ILE 4 0.909 0.996 6.947
30 HB ILE 4 HB ILE 4 3.239 -0.260 6.076
31 1HG1 ILE 4 HG12 ILE 4 3.419 0.276 3.672
32 2HG1 ILE 4 HG13 ILE 4 2.420 1.703 3.879
33 1HG2 ILE 4 HG21 ILE 4 0.944 -1.088 5.923
34 2HG2 ILE 4 HG22 ILE 4 0.599 0.067 4.617
35 3HG2 ILE 4 HG23 ILE 4 1.776 -1.239 4.370
36 1HD1 ILE 4 HD11 ILE 4 4.261 2.699 5.320
37 2HD1 ILE 4 HD12 ILE 4 5.175 1.192 5.100
38 3HD1 ILE 4 HD13 ILE 4 4.807 2.241 3.723
39 H PHE 5 H PHE 5 4.359 1.738 7.040
40 HA PHE 5 HA PHE 5 4.179 1.805 10.033
41 1HB PHE 5 HB2 PHE 5 6.497 1.039 10.117
42 2HB PHE 5 HB3 PHE 5 5.395 -0.171 9.492
43 HD1 PHE 5 HD1 PHE 5 5.480 -0.899 7.131
44 HD2 PHE 5 HD2 PHE 5 8.307 1.931 8.740
45 HE1 PHE 5 HE1 PHE 5 7.038 -1.389 5.266
46 HE2 PHE 5 HE2 PHE 5 9.875 1.412 6.888
47 HZ PHE 5 HZ PHE 5 9.255 -0.270 5.169
48 H THR 6 H THR 6 3.571 3.817 8.191
49 HA THR 6 HA THR 6 3.860 6.061 8.034
50 HB THR 6 HB THR 6 6.720 5.987 9.016
51 HG1 THR 6 HG1 THR 6 5.757 5.062 10.654
52 1HG2 THR 6 HG21 THR 6 6.182 8.248 9.773
53 2HG2 THR 6 HG22 THR 6 5.874 8.100 8.034
54 3HG2 THR 6 HG23 THR 6 4.517 8.081 9.188
55 H TYR 7 H TYR 7 3.884 6.466 5.901
56 HA TYR 7 HA TYR 7 5.277 5.224 3.910
57 1HB TYR 7 HB2 TYR 7 3.454 6.753 3.406
58 2HB TYR 7 HB3 TYR 7 4.341 8.103 4.097
59 HD1 TYR 7 HD1 TYR 7 5.105 5.422 1.530
60 HD2 TYR 7 HD2 TYR 7 5.250 9.608 2.565
61 HE1 TYR 7 HE1 TYR 7 6.323 5.905 -0.567
62 HE2 TYR 7 HE2 TYR 7 6.375 10.095 0.416
63 HH TYR 7 HH TYR 7 7.603 7.542 -1.676
64 H GLY 8 H GLY 8 6.318 8.175 5.576
65 1HA GLY 8 HA2 GLY 8 8.690 8.762 4.246
66 2HA GLY 8 HA3 GLY 8 8.422 9.047 5.973
67 H GLU 9 H GLU 9 8.161 6.284 6.807
68 HA GLU 9 HA GLU 9 11.007 5.708 7.082
69 1HB GLU 9 HB2 GLU 9 8.521 4.307 8.133
70 2HB GLU 9 HB3 GLU 9 10.184 3.809 8.455
71 1HG GLU 9 HG2 GLU 9 10.646 6.132 9.362
72 2HG GLU 9 HG3 GLU 9 8.926 6.485 9.229
73 H LEU 10 H LEU 10 8.193 4.268 5.362
74 HA LEU 10 HA LEU 10 9.665 2.044 4.299
75 1HB LEU 10 HB2 LEU 10 7.265 2.066 4.095
76 2HB LEU 10 HB3 LEU 10 7.295 3.577 3.177
77 HG LEU 10 HG LEU 10 8.485 2.445 1.312
78 1HD1 LEU 10 HD11 LEU 10 8.043 -0.096 2.946
79 2HD1 LEU 10 HD12 LEU 10 8.579 -0.035 1.257
80 3HD1 LEU 10 HD13 LEU 10 9.623 0.607 2.527
81 1HD2 LEU 10 HD21 LEU 10 5.921 1.033 2.101
82 2HD2 LEU 10 HD22 LEU 10 6.037 2.633 1.326
83 3HD2 LEU 10 HD23 LEU 10 6.599 1.187 0.472
84 H GLN 11 H GLN 11 9.142 5.371 3.046
85 HA GLN 11 HA GLN 11 10.607 4.939 0.692
86 1HB GLN 11 HB2 GLN 11 8.996 6.852 1.262
87 2HB GLN 11 HB3 GLN 11 10.334 7.631 2.115
88 1HG GLN 11 HG2 GLN 11 10.044 8.491 -0.190
89 2HG GLN 11 HG3 GLN 11 11.623 7.715 0.000
90 1HE2 GLN 11 HE22 GLN 11 12.162 6.162 -1.511
91 2HE2 GLN 11 HE21 GLN 11 10.987 5.250 -2.466
92 H ARG 12 H ARG 12 11.669 6.314 3.826
93 HA ARG 12 HA ARG 12 14.406 6.667 3.368
94 1HB ARG 12 HB2 ARG 12 13.220 7.254 5.449
95 2HB ARG 12 HB3 ARG 12 12.980 5.542 5.796
96 1HG ARG 12 HG2 ARG 12 15.534 5.297 5.877
97 2HG ARG 12 HG3 ARG 12 15.613 7.063 5.740
98 1HD ARG 12 HD2 ARG 12 15.729 6.403 8.098
99 2HD ARG 12 HD3 ARG 12 14.192 7.241 7.785
100 HE ARG 12 HE ARG 12 14.034 4.345 7.484
101 1HH1 ARG 12 HH11 ARG 12 13.909 6.936 9.892
102 2HH1 ARG 12 HH12 ARG 12 12.841 6.064 10.962
103 1HH2 ARG 12 HH21 ARG 12 12.681 3.197 8.897
104 2HH2 ARG 12 HH22 ARG 12 12.040 3.960 10.333
105 H MET 13 H MET 13 12.725 3.634 4.421
106 HA MET 13 HA MET 13 14.989 1.982 4.416
107 1HB MET 13 HB2 MET 13 12.860 1.408 5.431
108 2HB MET 13 HB3 MET 13 12.083 1.240 3.855
109 1HG MET 13 HG2 MET 13 14.504 -0.413 4.626
110 2HG MET 13 HG3 MET 13 12.860 -0.869 5.082
111 1HE MET 13 HE1 MET 13 13.718 -3.470 2.323
112 2HE MET 13 HE2 MET 13 14.834 -2.763 3.516
113 3HE MET 13 HE3 MET 13 13.184 -3.228 4.002
114 H GLN 14 H GLN 14 12.700 2.646 1.690
115 HA GLN 14 HA GLN 14 14.035 1.080 -0.257
116 1HB GLN 14 HB2 GLN 14 12.687 3.772 -0.712
117 2HB GLN 14 HB3 GLN 14 13.195 2.612 -1.942
118 1HG GLN 14 HG2 GLN 14 11.605 0.959 -1.175
119 2HG GLN 14 HG3 GLN 14 11.096 2.013 0.153
120 1HE2 GLN 14 HE22 GLN 14 8.890 1.867 -0.789
121 2HE2 GLN 14 HE21 GLN 14 8.498 2.922 -2.135
122 H GLU 15 H GLU 15 14.691 4.518 0.712
123 HA GLU 15 HA GLU 15 16.837 4.885 -1.111
124 1HB GLU 15 HB2 GLU 15 16.763 6.116 1.675
125 2HB GLU 15 HB3 GLU 15 17.628 6.676 0.246
126 1HG GLU 15 HG2 GLU 15 14.705 6.909 0.890
127 2HG GLU 15 HG3 GLU 15 15.832 8.140 0.354
128 H LYS 16 H LYS 16 16.924 3.564 2.231
129 HA LYS 16 HA LYS 16 19.749 3.146 2.298
130 1HB LYS 16 HB2 LYS 16 17.556 1.509 3.632
131 2HB LYS 16 HB3 LYS 16 19.273 1.426 4.016
132 1HG LYS 16 HG2 LYS 16 17.542 3.915 4.354
133 2HG LYS 16 HG3 LYS 16 17.971 2.769 5.623
134 1HD LYS 16 HD2 LYS 16 20.401 3.284 5.220
135 2HD LYS 16 HD3 LYS 16 19.908 4.531 4.052
136 1HE LYS 16 HE2 LYS 16 18.617 5.693 5.823
137 2HE LYS 16 HE3 LYS 16 19.124 4.464 7.000
138 1HZ LYS 16 HZ1 LYS 16 20.482 6.409 7.109
139 2HZ LYS 16 HZ2 LYS 16 21.385 5.121 6.618
140 3HZ LYS 16 HZ3 LYS 16 20.915 6.263 5.526
141 H GLU 17 H GLU 17 17.116 0.983 1.151
142 HA GLU 17 HA GLU 17 18.805 -1.172 0.394
143 1HB GLU 17 HB2 GLU 17 16.144 -0.309 -0.794
144 2HB GLU 17 HB3 GLU 17 16.975 -1.827 -1.150
145 1HG GLU 17 HG2 GLU 17 16.000 -0.976 1.611
146 2HG GLU 17 HG3 GLU 17 15.233 -2.154 0.546
147 H ARG 18 H ARG 18 17.719 1.649 -1.584
148 HA ARG 18 HA ARG 18 19.178 0.862 -3.915
149 1HB ARG 18 HB2 ARG 18 18.442 3.665 -2.969
150 2HB ARG 18 HB3 ARG 18 19.084 3.242 -4.565
151 1HG ARG 18 HG2 ARG 18 17.108 1.659 -4.853
152 2HG ARG 18 HG3 ARG 18 16.432 2.351 -3.375
153 1HD ARG 18 HD2 ARG 18 16.700 4.665 -4.561
154 2HD ARG 18 HD3 ARG 18 17.001 3.731 -6.019
155 HE ARG 18 HE ARG 18 14.797 3.047 -6.119
156 1HH1 ARG 18 HH21 ARG 18 15.368 4.761 -3.084
157 2HH1 ARG 18 HH22 ARG 18 13.692 4.861 -2.648
158 1HH2 ARG 18 HH11 ARG 18 12.602 3.039 -5.504
159 2HH2 ARG 18 HH12 ARG 18 12.098 3.659 -3.954
160 H ASN 19 H ASN 19 20.145 2.835 -1.093
161 HA ASN 19 HA ASN 19 22.683 3.635 -2.072
162 1HB ASN 19 HB2 ASN 19 21.517 3.375 0.705
163 2HB ASN 19 HB3 ASN 19 23.250 3.618 0.507
164 1HD2 ASN 19 HD22 ASN 19 20.121 5.045 -0.580
165 2HD2 ASN 19 HD21 ASN 19 20.759 6.687 -0.656
166 H LYS 20 H LYS 20 21.864 0.725 -0.062
167 HA LYS 20 HA LYS 20 24.609 -0.221 -0.267
168 1HB LYS 20 HB2 LYS 20 23.886 -2.250 0.745
169 2HB LYS 20 HB3 LYS 20 23.206 -0.851 1.588
170 1HG LYS 20 HG2 LYS 20 21.033 -1.250 0.423
171 2HG LYS 20 HG3 LYS 20 21.723 -2.650 -0.391
172 1HD LYS 20 HD2 LYS 20 20.419 -3.439 1.454
173 2HD LYS 20 HD3 LYS 20 22.124 -3.764 1.770
174 1HE LYS 20 HE2 LYS 20 20.951 -2.984 3.789
175 2HE LYS 20 HE3 LYS 20 22.219 -1.843 3.338
176 1HZ LYS 20 HZ1 LYS 20 20.512 -0.484 2.316
177 2HZ LYS 20 HZ2 LYS 20 19.348 -1.573 2.756
178 3HZ LYS 20 HZ3 LYS 20 20.187 -0.748 3.911
179 H GLY 21 H GLY 21 21.635 -0.828 -2.118
180 1HA GLY 21 HA2 GLY 21 22.444 -3.047 -3.616
181 2HA GLY 21 HA3 GLY 21 21.215 -1.860 -4.086
182 H GLN 22 H GLN 22 22.755 0.449 -4.378
183 HA GLN 22 HA GLN 22 23.963 1.584 -5.925
184 1HB GLN 22 HB2 GLN 22 25.799 -0.846 -5.807
185 2HB GLN 22 HB3 GLN 22 26.228 0.727 -6.484
186 1HG GLN 22 HG2 GLN 22 26.165 1.810 -4.377
187 2HG GLN 22 HG3 GLN 22 25.280 0.491 -3.613
188 1HE2 GLN 22 HE22 GLN 22 26.317 -1.401 -2.928
189 2HE2 GLN 22 HE21 GLN 22 28.077 -1.504 -2.873
Start of MODEL 14
1 1H PHE 1 H1 PHE 1 -1.982 9.659 1.681
2 2H PHE 1 H2 PHE 1 -0.564 10.244 1.063
3 3H PHE 1 H3 PHE 1 -0.727 9.980 2.689
4 HA PHE 1 HA PHE 1 -0.817 7.903 0.645
5 1HB PHE 1 HB2 PHE 1 1.370 7.170 1.622
6 2HB PHE 1 HB3 PHE 1 1.420 8.689 0.742
7 HD1 PHE 1 HD1 PHE 1 2.428 10.581 1.724
8 HD2 PHE 1 HD2 PHE 1 1.178 7.318 4.258
9 HE1 PHE 1 HE1 PHE 1 3.538 11.649 3.662
10 HE2 PHE 1 HE2 PHE 1 2.237 8.427 6.200
11 HZ PHE 1 HZ PHE 1 3.435 10.584 5.904
12 H VAL 2 H VAL 2 -0.821 5.729 1.517
13 HA VAL 2 HA VAL 2 -2.259 5.470 4.062
14 HB VAL 2 HB VAL 2 -3.008 4.098 2.284
15 1HG1 VAL 2 HG11 VAL 2 -0.297 2.736 2.135
16 2HG1 VAL 2 HG12 VAL 2 -1.763 2.298 1.256
17 3HG1 VAL 2 HG13 VAL 2 -0.961 3.831 0.906
18 1HG2 VAL 2 HG21 VAL 2 -1.569 2.417 4.375
19 2HG2 VAL 2 HG22 VAL 2 -3.146 3.212 4.565
20 3HG2 VAL 2 HG23 VAL 2 -2.948 1.910 3.381
21 HA PRO 3 HA PRO 3 1.874 5.337 5.812
22 1HB PRO 3 HB2 PRO 3 1.334 5.375 8.474
23 2HB PRO 3 HB3 PRO 3 0.888 6.732 7.411
24 1HG PRO 3 HG2 PRO 3 -0.898 4.435 8.263
25 2HG PRO 3 HG3 PRO 3 -1.224 6.186 8.432
26 1HD PRO 3 HD2 PRO 3 -2.155 4.759 6.306
27 2HD PRO 3 HD3 PRO 3 -1.566 6.437 6.103
28 H ILE 4 H ILE 4 1.389 2.975 4.650
29 HA ILE 4 HA ILE 4 0.702 0.756 6.083
30 HB ILE 4 HB ILE 4 2.632 -0.347 4.440
31 1HG1 ILE 4 HG12 ILE 4 2.620 0.741 2.302
32 2HG1 ILE 4 HG13 ILE 4 1.693 2.106 2.904
33 1HG2 ILE 4 HG21 ILE 4 0.267 -0.928 4.524
34 2HG2 ILE 4 HG22 ILE 4 -0.152 0.562 3.650
35 3HG2 ILE 4 HG23 ILE 4 0.802 -0.705 2.853
36 1HD1 ILE 4 HD11 ILE 4 4.511 1.423 3.820
37 2HD1 ILE 4 HD12 ILE 4 4.104 2.554 2.518
38 3HD1 ILE 4 HD13 ILE 4 3.601 2.928 4.159
39 H PHE 5 H PHE 5 3.993 1.895 5.777
40 HA PHE 5 HA PHE 5 4.613 0.764 8.463
41 1HB PHE 5 HB2 PHE 5 6.654 0.873 6.221
42 2HB PHE 5 HB3 PHE 5 6.794 0.076 7.779
43 HD1 PHE 5 HD1 PHE 5 4.846 -1.800 8.190
44 HD2 PHE 5 HD2 PHE 5 6.207 -0.451 4.324
45 HE1 PHE 5 HE1 PHE 5 3.929 -3.849 7.144
46 HE2 PHE 5 HE2 PHE 5 5.290 -2.500 3.288
47 HZ PHE 5 HZ PHE 5 4.149 -4.204 4.691
48 H THR 6 H THR 6 3.517 3.232 7.651
49 HA THR 6 HA THR 6 3.757 5.470 7.616
50 HB THR 6 HB THR 6 6.421 5.123 9.019
51 HG1 THR 6 HG1 THR 6 5.193 5.092 10.879
52 1HG2 THR 6 HG21 THR 6 5.791 7.323 10.008
53 2HG2 THR 6 HG22 THR 6 5.879 7.445 8.243
54 3HG2 THR 6 HG23 THR 6 4.300 7.335 9.052
55 H TYR 7 H TYR 7 3.854 5.970 5.497
56 HA TYR 7 HA TYR 7 5.492 5.009 3.617
57 1HB TYR 7 HB2 TYR 7 3.457 6.282 3.146
58 2HB TYR 7 HB3 TYR 7 4.289 7.778 3.617
59 HD1 TYR 7 HD1 TYR 7 5.492 9.039 2.008
60 HD2 TYR 7 HD2 TYR 7 4.514 4.918 1.187
61 HE1 TYR 7 HE1 TYR 7 6.578 9.216 -0.213
62 HE2 TYR 7 HE2 TYR 7 5.604 5.099 -1.024
63 HH TYR 7 HH TYR 7 6.736 6.472 -2.492
64 H GLY 8 H GLY 8 6.223 7.983 5.412
65 1HA GLY 8 HA2 GLY 8 8.502 8.864 4.015
66 2HA GLY 8 HA3 GLY 8 8.250 9.059 5.759
67 H GLU 9 H GLU 9 8.300 6.447 6.687
68 HA GLU 9 HA GLU 9 11.156 5.962 6.789
69 1HB GLU 9 HB2 GLU 9 8.759 4.388 7.865
70 2HB GLU 9 HB3 GLU 9 10.442 3.899 8.028
71 1HG GLU 9 HG2 GLU 9 10.106 4.927 10.027
72 2HG GLU 9 HG3 GLU 9 10.873 6.217 9.102
73 H LEU 10 H LEU 10 8.354 4.294 5.340
74 HA LEU 10 HA LEU 10 9.748 2.127 4.209
75 1HB LEU 10 HB2 LEU 10 7.314 2.330 4.314
76 2HB LEU 10 HB3 LEU 10 7.319 3.604 3.103
77 HG LEU 10 HG LEU 10 6.622 1.288 2.390
78 1HD1 LEU 10 HD11 LEU 10 7.235 3.082 0.777
79 2HD1 LEU 10 HD12 LEU 10 8.878 2.410 0.697
80 3HD1 LEU 10 HD13 LEU 10 7.501 1.434 0.185
81 1HD2 LEU 10 HD21 LEU 10 8.256 -0.389 1.854
82 2HD2 LEU 10 HD22 LEU 10 9.598 0.653 2.349
83 3HD2 LEU 10 HD23 LEU 10 8.455 0.038 3.563
84 H GLN 11 H GLN 11 9.036 5.294 2.674
85 HA GLN 11 HA GLN 11 10.384 4.801 0.259
86 1HB GLN 11 HB2 GLN 11 8.748 6.716 1.030
87 2HB GLN 11 HB3 GLN 11 10.230 7.584 1.443
88 1HG GLN 11 HG2 GLN 11 9.443 6.392 -1.265
89 2HG GLN 11 HG3 GLN 11 9.372 8.099 -0.837
90 1HE2 GLN 11 HE22 GLN 11 11.503 9.114 -0.134
91 2HE2 GLN 11 HE21 GLN 11 12.937 8.626 -1.006
92 H ARG 12 H ARG 12 11.568 6.400 3.294
93 HA ARG 12 HA ARG 12 14.238 6.754 2.364
94 1HB ARG 12 HB2 ARG 12 13.055 6.461 5.136
95 2HB ARG 12 HB3 ARG 12 14.784 6.744 4.856
96 1HG ARG 12 HG2 ARG 12 14.369 8.769 3.612
97 2HG ARG 12 HG3 ARG 12 12.618 8.534 3.664
98 1HD ARG 12 HD2 ARG 12 14.382 8.919 6.120
99 2HD ARG 12 HD3 ARG 12 13.446 10.206 5.323
100 HE ARG 12 HE ARG 12 11.643 8.129 5.840
101 1HH1 ARG 12 HH21 ARG 12 13.650 10.405 7.640
102 2HH1 ARG 12 HH22 ARG 12 12.597 10.492 9.026
103 1HH2 ARG 12 HH11 ARG 12 10.235 8.191 7.721
104 2HH2 ARG 12 HH12 ARG 12 10.620 9.248 9.039
105 H MET 13 H MET 13 12.675 3.842 3.786
106 HA MET 13 HA MET 13 15.104 2.371 3.967
107 1HB MET 13 HB2 MET 13 13.005 1.685 5.083
108 2HB MET 13 HB3 MET 13 12.291 1.294 3.518
109 1HG MET 13 HG2 MET 13 13.125 -0.704 4.656
110 2HG MET 13 HG3 MET 13 13.914 -0.443 3.106
111 1HE MET 13 HE1 MET 13 14.817 1.394 6.536
112 2HE MET 13 HE2 MET 13 14.287 -0.243 7.005
113 3HE MET 13 HE3 MET 13 15.993 0.230 7.183
114 H GLN 14 H GLN 14 12.807 2.888 1.235
115 HA GLN 14 HA GLN 14 14.142 1.164 -0.619
116 1HB GLN 14 HB2 GLN 14 12.985 3.882 -1.357
117 2HB GLN 14 HB3 GLN 14 13.266 2.505 -2.411
118 1HG GLN 14 HG2 GLN 14 11.556 1.194 -1.171
119 2HG GLN 14 HG3 GLN 14 11.211 2.608 -0.173
120 1HE2 GLN 14 HE22 GLN 14 11.283 4.733 -2.146
121 2HE2 GLN 14 HE21 GLN 14 9.958 4.400 -3.240
122 H GLU 15 H GLU 15 14.730 4.619 0.194
123 HA GLU 15 HA GLU 15 16.945 4.980 -1.548
124 1HB GLU 15 HB2 GLU 15 16.414 6.306 1.139
125 2HB GLU 15 HB3 GLU 15 17.570 6.859 -0.075
126 1HG GLU 15 HG2 GLU 15 15.767 7.184 -1.718
127 2HG GLU 15 HG3 GLU 15 14.562 6.597 -0.568
128 H LYS 16 H LYS 16 16.850 3.855 1.842
129 HA LYS 16 HA LYS 16 19.607 3.552 2.280
130 1HB LYS 16 HB2 LYS 16 17.608 3.385 3.891
131 2HB LYS 16 HB3 LYS 16 17.467 1.698 3.400
132 1HG LYS 16 HG2 LYS 16 19.872 3.030 4.726
133 2HG LYS 16 HG3 LYS 16 18.657 2.006 5.497
134 1HD LYS 16 HD2 LYS 16 19.388 0.141 3.846
135 2HD LYS 16 HD3 LYS 16 20.771 1.190 3.468
136 1HE LYS 16 HE2 LYS 16 21.516 -0.340 5.124
137 2HE LYS 16 HE3 LYS 16 21.352 1.229 5.921
138 1HZ LYS 16 HZ1 LYS 16 20.443 -0.574 7.212
139 2HZ LYS 16 HZ2 LYS 16 19.249 0.479 6.793
140 3HZ LYS 16 HZ3 LYS 16 19.387 -0.963 6.008
141 H GLU 17 H GLU 17 17.220 1.088 1.102
142 HA GLU 17 HA GLU 17 19.207 -0.925 0.698
143 1HB GLU 17 HB2 GLU 17 16.443 -0.596 -0.545
144 2HB GLU 17 HB3 GLU 17 17.454 -2.043 -0.686
145 1HG GLU 17 HG2 GLU 17 16.350 -0.893 1.918
146 2HG GLU 17 HG3 GLU 17 15.797 -2.348 1.092
147 H ARG 18 H ARG 18 17.943 1.605 -1.521
148 HA ARG 18 HA ARG 18 19.471 0.695 -3.755
149 1HB ARG 18 HB2 ARG 18 18.339 3.386 -2.945
150 2HB ARG 18 HB3 ARG 18 19.445 3.283 -4.304
151 1HG ARG 18 HG2 ARG 18 16.785 1.821 -4.054
152 2HG ARG 18 HG3 ARG 18 17.155 3.211 -5.082
153 1HD ARG 18 HD2 ARG 18 17.997 0.339 -5.408
154 2HD ARG 18 HD3 ARG 18 17.240 1.407 -6.575
155 HE ARG 18 HE ARG 18 19.369 2.699 -6.680
156 1HH1 ARG 18 HH21 ARG 18 19.568 -0.794 -5.852
157 2HH1 ARG 18 HH22 ARG 18 21.325 -0.750 -5.934
158 1HH2 ARG 18 HH11 ARG 18 21.679 2.562 -6.805
159 2HH2 ARG 18 HH12 ARG 18 22.441 1.021 -6.429
160 H ASN 19 H ASN 19 20.331 2.968 -1.118
161 HA ASN 19 HA ASN 19 22.941 3.542 -2.102
162 1HB ASN 19 HB2 ASN 19 21.679 3.714 0.644
163 2HB ASN 19 HB3 ASN 19 23.420 3.906 0.451
164 1HD2 ASN 19 HD22 ASN 19 20.299 5.222 -0.757
165 2HD2 ASN 19 HD21 ASN 19 20.967 6.814 -1.115
166 H LYS 20 H LYS 20 21.783 0.938 0.048
167 HA LYS 20 HA LYS 20 24.291 -0.338 0.494
168 1HB LYS 20 HB2 LYS 20 22.163 -0.811 1.689
169 2HB LYS 20 HB3 LYS 20 21.521 -1.574 0.226
170 1HG LYS 20 HG2 LYS 20 23.497 -3.189 0.326
171 2HG LYS 20 HG3 LYS 20 23.858 -2.534 1.923
172 1HD LYS 20 HD2 LYS 20 21.247 -3.860 1.007
173 2HD LYS 20 HD3 LYS 20 22.491 -4.626 1.997
174 1HE LYS 20 HE2 LYS 20 20.768 -2.235 2.819
175 2HE LYS 20 HE3 LYS 20 20.570 -3.905 3.351
176 1HZ LYS 20 HZ1 LYS 20 22.749 -3.795 4.335
177 2HZ LYS 20 HZ2 LYS 20 22.914 -2.220 3.875
178 3HZ LYS 20 HZ3 LYS 20 21.749 -2.645 4.962
179 H GLY 21 H GLY 21 21.824 -0.807 -2.081
180 1HA GLY 21 HA2 GLY 21 23.345 -2.801 -3.526
181 2HA GLY 21 HA3 GLY 21 21.858 -1.988 -4.028
182 H GLN 22 H GLN 22 25.257 -1.062 -3.369
183 HA GLN 22 HA GLN 22 25.529 0.057 -6.128
184 1HB GLN 22 HB2 GLN 22 26.515 1.297 -3.520
185 2HB GLN 22 HB3 GLN 22 27.019 1.807 -5.142
186 1HG GLN 22 HG2 GLN 22 24.671 2.349 -5.721
187 2HG GLN 22 HG3 GLN 22 24.159 1.884 -4.092
188 1HE2 GLN 22 HE22 GLN 22 25.378 3.034 -2.254
189 2HE2 GLN 22 HE21 GLN 22 25.675 4.758 -2.496
Start of MODEL 15
1 1H PHE 1 H1 PHE 1 -1.481 8.818 -0.727
2 2H PHE 1 H2 PHE 1 -1.530 9.082 0.907
3 3H PHE 1 H3 PHE 1 -2.802 8.363 0.159
4 HA PHE 1 HA PHE 1 -1.534 6.455 -0.356
5 1HB PHE 1 HB2 PHE 1 0.756 6.218 0.529
6 2HB PHE 1 HB3 PHE 1 0.622 7.485 -0.681
7 HD1 PHE 1 HD1 PHE 1 1.045 6.811 2.958
8 HD2 PHE 1 HD2 PHE 1 1.112 9.801 -0.143
9 HE1 PHE 1 HE1 PHE 1 2.052 8.434 4.543
10 HE2 PHE 1 HE2 PHE 1 2.168 11.400 1.430
11 HZ PHE 1 HZ PHE 1 2.639 10.718 3.775
12 H VAL 2 H VAL 2 -1.458 4.674 1.139
13 HA VAL 2 HA VAL 2 -2.793 5.138 3.682
14 HB VAL 2 HB VAL 2 -1.497 2.626 2.549
15 1HG1 VAL 2 HG11 VAL 2 -1.771 2.547 5.023
16 2HG1 VAL 2 HG12 VAL 2 -3.477 3.003 4.844
17 3HG1 VAL 2 HG13 VAL 2 -2.894 1.450 4.213
18 1HG2 VAL 2 HG21 VAL 2 -4.401 3.569 2.526
19 2HG2 VAL 2 HG22 VAL 2 -3.349 3.389 1.106
20 3HG2 VAL 2 HG23 VAL 2 -3.837 1.963 2.026
21 HA PRO 3 HA PRO 3 1.322 6.075 5.275
22 1HB PRO 3 HB2 PRO 3 0.733 6.982 7.770
23 2HB PRO 3 HB3 PRO 3 0.161 7.820 6.306
24 1HG PRO 3 HG2 PRO 3 -1.369 5.782 7.953
25 2HG PRO 3 HG3 PRO 3 -1.892 7.436 7.512
26 1HD PRO 3 HD2 PRO 3 -2.627 5.265 6.036
27 2HD PRO 3 HD3 PRO 3 -2.223 6.823 5.251
28 H ILE 4 H ILE 4 0.971 3.356 5.073
29 HA ILE 4 HA ILE 4 0.780 1.808 7.352
30 HB ILE 4 HB ILE 4 2.638 0.335 5.962
31 1HG1 ILE 4 HG12 ILE 4 2.167 0.483 3.593
32 2HG1 ILE 4 HG13 ILE 4 1.211 1.944 3.804
33 1HG2 ILE 4 HG21 ILE 4 0.401 -0.363 6.635
34 2HG2 ILE 4 HG22 ILE 4 -0.318 0.616 5.338
35 3HG2 ILE 4 HG23 ILE 4 0.707 -0.778 4.944
36 1HD1 ILE 4 HD11 ILE 4 3.523 2.236 2.859
37 2HD1 ILE 4 HD12 ILE 4 3.198 3.241 4.266
38 3HD1 ILE 4 HD13 ILE 4 4.186 1.753 4.427
39 H PHE 5 H PHE 5 3.795 3.033 6.044
40 HA PHE 5 HA PHE 5 4.936 3.161 8.792
41 1HB PHE 5 HB2 PHE 5 6.642 2.669 6.340
42 2HB PHE 5 HB3 PHE 5 7.064 2.493 8.046
43 HD1 PHE 5 HD1 PHE 5 5.332 0.744 9.325
44 HD2 PHE 5 HD2 PHE 5 6.478 0.624 5.164
45 HE1 PHE 5 HE1 PHE 5 4.687 -1.643 9.205
46 HE2 PHE 5 HE2 PHE 5 5.826 -1.752 5.054
47 HZ PHE 5 HZ PHE 5 4.926 -2.895 7.066
48 H THR 6 H THR 6 3.267 4.958 7.563
49 HA THR 6 HA THR 6 3.032 7.145 7.076
50 HB THR 6 HB THR 6 5.907 7.658 7.903
51 HG1 THR 6 HG1 THR 6 5.347 6.376 9.535
52 1HG2 THR 6 HG21 THR 6 3.260 9.075 8.439
53 2HG2 THR 6 HG22 THR 6 4.846 9.580 9.060
54 3HG2 THR 6 HG23 THR 6 4.524 9.630 7.320
55 H TYR 7 H TYR 7 4.588 5.279 5.133
56 HA TYR 7 HA TYR 7 5.436 5.219 3.091
57 1HB TYR 7 HB2 TYR 7 3.759 6.791 2.349
58 2HB TYR 7 HB3 TYR 7 4.752 8.170 2.830
59 HD1 TYR 7 HD1 TYR 7 4.486 5.296 0.485
60 HD2 TYR 7 HD2 TYR 7 6.651 8.883 1.500
61 HE1 TYR 7 HE1 TYR 7 5.890 5.013 -1.530
62 HE2 TYR 7 HE2 TYR 7 8.059 8.600 -0.527
63 HH TYR 7 HH TYR 7 7.587 5.917 -2.820
64 H GLY 8 H GLY 8 6.482 8.236 4.602
65 1HA GLY 8 HA2 GLY 8 8.991 8.628 3.580
66 2HA GLY 8 HA3 GLY 8 8.571 8.987 5.262
67 H GLU 9 H GLU 9 8.236 6.409 6.345
68 HA GLU 9 HA GLU 9 10.982 5.722 6.845
69 1HB GLU 9 HB2 GLU 9 8.501 4.093 7.423
70 2HB GLU 9 HB3 GLU 9 10.062 3.923 8.208
71 1HG GLU 9 HG2 GLU 9 9.818 6.050 9.349
72 2HG GLU 9 HG3 GLU 9 8.398 6.491 8.399
73 H LEU 10 H LEU 10 8.446 4.427 4.713
74 HA LEU 10 HA LEU 10 9.828 1.977 4.062
75 1HB LEU 10 HB2 LEU 10 7.377 2.310 3.927
76 2HB LEU 10 HB3 LEU 10 7.572 3.435 2.598
77 HG LEU 10 HG LEU 10 6.845 1.074 2.081
78 1HD1 LEU 10 HD11 LEU 10 9.266 2.065 0.539
79 2HD1 LEU 10 HD12 LEU 10 7.997 0.973 -0.032
80 3HD1 LEU 10 HD13 LEU 10 7.604 2.656 0.354
81 1HD2 LEU 10 HD21 LEU 10 8.505 -0.110 3.521
82 2HD2 LEU 10 HD22 LEU 10 8.474 -0.680 1.844
83 3HD2 LEU 10 HD23 LEU 10 9.791 0.370 2.386
84 H GLN 11 H GLN 11 9.427 5.209 2.520
85 HA GLN 11 HA GLN 11 11.116 4.578 0.324
86 1HB GLN 11 HB2 GLN 11 9.543 6.469 0.338
87 2HB GLN 11 HB3 GLN 11 10.534 7.322 1.529
88 1HG GLN 11 HG2 GLN 11 10.873 8.088 -0.862
89 2HG GLN 11 HG3 GLN 11 12.355 7.564 -0.053
90 1HE2 GLN 11 HE22 GLN 11 9.670 5.992 -1.953
91 2HE2 GLN 11 HE21 GLN 11 10.761 4.836 -2.725
92 H ARG 12 H ARG 12 11.860 5.944 3.552
93 HA ARG 12 HA ARG 12 14.634 6.361 3.152
94 1HB ARG 12 HB2 ARG 12 13.392 7.170 5.099
95 2HB ARG 12 HB3 ARG 12 13.125 5.506 5.644
96 1HG ARG 12 HG2 ARG 12 15.531 5.184 5.983
97 2HG ARG 12 HG3 ARG 12 15.874 6.780 5.302
98 1HD ARG 12 HD2 ARG 12 15.909 6.766 7.823
99 2HD ARG 12 HD3 ARG 12 14.763 7.903 7.119
100 HE ARG 12 HE ARG 12 13.037 6.826 8.108
101 1HH1 ARG 12 HH11 ARG 12 15.750 4.576 8.014
102 2HH1 ARG 12 HH12 ARG 12 14.938 3.329 8.923
103 1HH2 ARG 12 HH21 ARG 12 11.964 5.225 9.308
104 2HH2 ARG 12 HH22 ARG 12 12.741 3.709 9.669
105 H MET 13 H MET 13 12.857 3.400 4.222
106 HA MET 13 HA MET 13 15.114 1.718 4.436
107 1HB MET 13 HB2 MET 13 12.922 1.197 5.322
108 2HB MET 13 HB3 MET 13 12.234 1.031 3.705
109 1HG MET 13 HG2 MET 13 14.553 -0.690 4.629
110 2HG MET 13 HG3 MET 13 12.870 -1.077 5.005
111 1HE MET 13 HE1 MET 13 13.597 -3.781 2.368
112 2HE MET 13 HE2 MET 13 14.759 -3.148 3.559
113 3HE MET 13 HE3 MET 13 13.059 -3.424 4.021
114 H GLN 14 H GLN 14 12.983 2.289 1.569
115 HA GLN 14 HA GLN 14 14.447 0.696 -0.264
116 1HB GLN 14 HB2 GLN 14 12.946 3.301 -0.755
117 2HB GLN 14 HB3 GLN 14 13.616 2.253 -2.017
118 1HG GLN 14 HG2 GLN 14 12.229 0.381 -1.282
119 2HG GLN 14 HG3 GLN 14 11.499 1.390 -0.024
120 1HE2 GLN 14 HE22 GLN 14 9.748 0.260 -1.747
121 2HE2 GLN 14 HE21 GLN 14 9.167 1.435 -2.914
122 H GLU 15 H GLU 15 14.945 4.143 0.620
123 HA GLU 15 HA GLU 15 17.122 4.646 -1.084
124 1HB GLU 15 HB2 GLU 15 15.814 6.339 0.216
125 2HB GLU 15 HB3 GLU 15 16.658 5.829 1.686
126 1HG GLU 15 HG2 GLU 15 18.813 6.505 0.741
127 2HG GLU 15 HG3 GLU 15 18.049 6.887 -0.810
128 H LYS 16 H LYS 16 17.130 3.390 2.278
129 HA LYS 16 HA LYS 16 19.916 3.085 2.555
130 1HB LYS 16 HB2 LYS 16 18.200 2.892 4.322
131 2HB LYS 16 HB3 LYS 16 17.716 1.311 3.719
132 1HG LYS 16 HG2 LYS 16 20.575 1.910 4.587
133 2HG LYS 16 HG3 LYS 16 19.294 1.494 5.731
134 1HD LYS 16 HD2 LYS 16 18.874 -0.646 4.456
135 2HD LYS 16 HD3 LYS 16 20.272 -0.272 3.441
136 1HE LYS 16 HE2 LYS 16 20.981 -1.799 5.148
137 2HE LYS 16 HE3 LYS 16 21.725 -0.221 5.469
138 1HZ LYS 16 HZ1 LYS 16 19.330 -1.288 6.798
139 2HZ LYS 16 HZ2 LYS 16 20.849 -1.257 7.438
140 3HZ LYS 16 HZ3 LYS 16 20.058 0.154 7.132
141 H GLU 17 H GLU 17 17.492 0.740 1.250
142 HA GLU 17 HA GLU 17 19.346 -1.297 0.551
143 1HB GLU 17 HB2 GLU 17 16.750 -0.529 -0.850
144 2HB GLU 17 HB3 GLU 17 17.688 -1.989 -1.160
145 1HG GLU 17 HG2 GLU 17 17.405 -2.699 1.196
146 2HG GLU 17 HG3 GLU 17 16.409 -1.273 1.514
147 H ARG 18 H ARG 18 18.170 1.454 -1.468
148 HA ARG 18 HA ARG 18 19.706 0.871 -3.771
149 1HB ARG 18 HB2 ARG 18 18.790 3.562 -2.662
150 2HB ARG 18 HB3 ARG 18 19.556 3.329 -4.238
151 1HG ARG 18 HG2 ARG 18 17.728 1.712 -4.848
152 2HG ARG 18 HG3 ARG 18 16.886 2.153 -3.358
153 1HD ARG 18 HD2 ARG 18 17.682 4.053 -5.608
154 2HD ARG 18 HD3 ARG 18 16.064 3.427 -5.350
155 HE ARG 18 HE ARG 18 17.507 5.492 -3.802
156 1HH1 ARG 18 HH21 ARG 18 14.582 3.440 -3.898
157 2HH1 ARG 18 HH22 ARG 18 13.665 4.582 -2.921
158 1HH2 ARG 18 HH11 ARG 18 16.203 6.909 -2.504
159 2HH2 ARG 18 HH12 ARG 18 14.550 6.420 -2.145
160 H ASN 19 H ASN 19 20.545 2.899 -0.944
161 HA ASN 19 HA ASN 19 23.114 3.717 -1.816
162 1HB ASN 19 HB2 ASN 19 22.170 3.205 1.042
163 2HB ASN 19 HB3 ASN 19 23.607 4.112 0.572
164 1HD2 ASN 19 HD22 ASN 19 22.098 5.448 -1.766
165 2HD2 ASN 19 HD21 ASN 19 21.141 6.658 -0.933
166 H LYS 20 H LYS 20 22.196 0.857 0.191
167 HA LYS 20 HA LYS 20 24.901 -0.140 0.308
168 1HB LYS 20 HB2 LYS 20 22.214 -1.544 0.592
169 2HB LYS 20 HB3 LYS 20 23.773 -2.321 0.888
170 1HG LYS 20 HG2 LYS 20 22.700 0.095 2.416
171 2HG LYS 20 HG3 LYS 20 22.695 -1.590 2.957
172 1HD LYS 20 HD2 LYS 20 25.265 -1.551 2.683
173 2HD LYS 20 HD3 LYS 20 25.116 0.199 2.455
174 1HE LYS 20 HE2 LYS 20 25.684 -0.172 4.737
175 2HE LYS 20 HE3 LYS 20 24.006 0.382 4.688
176 1HZ LYS 20 HZ1 LYS 20 23.339 -1.922 4.935
177 2HZ LYS 20 HZ2 LYS 20 24.913 -2.408 4.957
178 3HZ LYS 20 HZ3 LYS 20 24.326 -1.467 6.174
179 H GLY 21 H GLY 21 22.287 -0.605 -2.059
180 1HA GLY 21 HA2 GLY 21 23.510 -2.555 -3.704
181 2HA GLY 21 HA3 GLY 21 22.391 -1.287 -4.239
182 H GLN 22 H GLN 22 23.717 1.044 -3.839
183 HA GLN 22 HA GLN 22 26.480 0.962 -4.677
184 1HB GLN 22 HB2 GLN 22 25.283 0.515 -6.839
185 2HB GLN 22 HB3 GLN 22 24.425 2.053 -6.659
186 1HG GLN 22 HG2 GLN 22 26.574 3.275 -6.735
187 2HG GLN 22 HG3 GLN 22 27.464 1.746 -6.804
188 1HE2 GLN 22 HE22 GLN 22 26.587 0.220 -8.693
189 2HE2 GLN 22 HE21 GLN 22 26.402 1.055 -10.227
Start of MODEL 16
1 1H PHE 1 H1 PHE 1 -0.319 8.526 -1.783
2 2H PHE 1 H2 PHE 1 -1.066 8.883 -0.349
3 3H PHE 1 H3 PHE 1 -1.690 7.721 -1.325
4 HA PHE 1 HA PHE 1 0.169 6.322 -0.997
5 1HB PHE 1 HB2 PHE 1 1.920 6.911 0.583
6 2HB PHE 1 HB3 PHE 1 1.857 8.078 -0.728
7 HD1 PHE 1 HD1 PHE 1 1.184 10.411 -0.317
8 HD2 PHE 1 HD2 PHE 1 1.195 7.522 2.885
9 HE1 PHE 1 HE1 PHE 1 0.912 12.236 1.339
10 HE2 PHE 1 HE2 PHE 1 0.919 9.355 4.533
11 HZ PHE 1 HZ PHE 1 0.778 11.711 3.764
12 H VAL 2 H VAL 2 0.465 4.978 0.996
13 HA VAL 2 HA VAL 2 -1.689 5.388 3.007
14 HB VAL 2 HB VAL 2 -2.443 3.671 1.640
15 1HG1 VAL 2 HG11 VAL 2 -0.476 2.993 0.394
16 2HG1 VAL 2 HG12 VAL 2 0.250 2.267 1.838
17 3HG1 VAL 2 HG13 VAL 2 -1.232 1.590 1.152
18 1HG2 VAL 2 HG21 VAL 2 -2.701 3.338 4.057
19 2HG2 VAL 2 HG22 VAL 2 -2.587 1.798 3.190
20 3HG2 VAL 2 HG23 VAL 2 -1.195 2.400 4.107
21 HA PRO 3 HA PRO 3 2.218 5.486 5.207
22 1HB PRO 3 HB2 PRO 3 1.431 6.601 7.575
23 2HB PRO 3 HB3 PRO 3 1.374 7.501 6.038
24 1HG PRO 3 HG2 PRO 3 -0.888 5.982 7.370
25 2HG PRO 3 HG3 PRO 3 -0.901 7.682 6.812
26 1HD PRO 3 HD2 PRO 3 -1.868 5.643 5.279
27 2HD PRO 3 HD3 PRO 3 -0.998 7.024 4.542
28 H ILE 4 H ILE 4 1.721 3.000 4.924
29 HA ILE 4 HA ILE 4 0.419 1.461 6.718
30 HB ILE 4 HB ILE 4 1.932 -0.388 6.096
31 1HG1 ILE 4 HG12 ILE 4 4.096 0.597 5.775
32 2HG1 ILE 4 HG13 ILE 4 3.563 -0.224 4.330
33 1HG2 ILE 4 HG21 ILE 4 1.243 -0.462 3.730
34 2HG2 ILE 4 HG22 ILE 4 -0.047 0.146 4.780
35 3HG2 ILE 4 HG23 ILE 4 0.889 1.274 3.783
36 1HD1 ILE 4 HD11 ILE 4 4.725 1.743 3.703
37 2HD1 ILE 4 HD12 ILE 4 3.027 2.017 3.307
38 3HD1 ILE 4 HD13 ILE 4 3.775 2.783 4.741
39 H PHE 5 H PHE 5 3.822 2.214 7.037
40 HA PHE 5 HA PHE 5 3.508 2.092 9.990
41 1HB PHE 5 HB2 PHE 5 5.809 1.141 10.225
42 2HB PHE 5 HB3 PHE 5 4.571 0.022 9.692
43 HD1 PHE 5 HD1 PHE 5 7.570 1.937 8.605
44 HD2 PHE 5 HD2 PHE 5 4.772 -1.194 7.639
45 HE1 PHE 5 HE1 PHE 5 8.960 1.295 6.658
46 HE2 PHE 5 HE2 PHE 5 6.174 -1.845 5.702
47 HZ PHE 5 HZ PHE 5 8.245 -0.580 5.182
48 H THR 6 H THR 6 3.181 4.086 8.159
49 HA THR 6 HA THR 6 3.693 6.308 7.975
50 HB THR 6 HB THR 6 6.487 6.005 9.083
51 HG1 THR 6 HG1 THR 6 5.364 5.200 10.694
52 1HG2 THR 6 HG21 THR 6 6.113 8.318 9.776
53 2HG2 THR 6 HG22 THR 6 5.868 8.160 8.027
54 3HG2 THR 6 HG23 THR 6 4.466 8.281 9.119
55 H TYR 7 H TYR 7 3.834 6.653 5.847
56 HA TYR 7 HA TYR 7 5.183 5.056 4.039
57 1HB TYR 7 HB2 TYR 7 3.292 6.651 3.585
58 2HB TYR 7 HB3 TYR 7 4.445 7.980 3.615
59 HD1 TYR 7 HD1 TYR 7 5.512 8.581 1.552
60 HD2 TYR 7 HD2 TYR 7 3.700 4.686 1.962
61 HE1 TYR 7 HE1 TYR 7 5.985 8.110 -0.829
62 HE2 TYR 7 HE2 TYR 7 4.180 4.220 -0.428
63 HH TYR 7 HH TYR 7 6.136 6.411 -2.424
64 H GLY 8 H GLY 8 6.299 8.036 5.548
65 1HA GLY 8 HA2 GLY 8 8.711 8.518 4.190
66 2HA GLY 8 HA3 GLY 8 8.391 8.902 5.888
67 H GLU 9 H GLU 9 8.024 6.168 6.856
68 HA GLU 9 HA GLU 9 10.824 5.507 7.284
69 1HB GLU 9 HB2 GLU 9 8.235 4.106 8.051
70 2HB GLU 9 HB3 GLU 9 9.848 3.506 8.451
71 1HG GLU 9 HG2 GLU 9 10.357 5.521 9.729
72 2HG GLU 9 HG3 GLU 9 8.815 6.257 9.271
73 H LEU 10 H LEU 10 8.100 4.124 5.398
74 HA LEU 10 HA LEU 10 9.580 1.989 4.264
75 1HB LEU 10 HB2 LEU 10 7.206 2.015 3.988
76 2HB LEU 10 HB3 LEU 10 7.248 3.556 3.134
77 HG LEU 10 HG LEU 10 8.497 2.505 1.254
78 1HD1 LEU 10 HD11 LEU 10 8.029 -0.093 2.787
79 2HD1 LEU 10 HD12 LEU 10 8.594 0.030 1.111
80 3HD1 LEU 10 HD13 LEU 10 9.612 0.631 2.422
81 1HD2 LEU 10 HD21 LEU 10 6.632 1.321 0.308
82 2HD2 LEU 10 HD22 LEU 10 5.939 1.008 1.909
83 3HD2 LEU 10 HD23 LEU 10 6.002 2.669 1.272
84 H GLN 11 H GLN 11 9.221 5.411 3.151
85 HA GLN 11 HA GLN 11 10.861 5.036 0.858
86 1HB GLN 11 HB2 GLN 11 10.587 7.641 2.415
87 2HB GLN 11 HB3 GLN 11 11.145 7.422 0.759
88 1HG GLN 11 HG2 GLN 11 8.360 7.444 1.817
89 2HG GLN 11 HG3 GLN 11 9.026 8.142 0.358
90 1HE2 GLN 11 HE22 GLN 11 7.515 5.339 1.776
91 2HE2 GLN 11 HE21 GLN 11 7.334 4.429 0.272
92 H ARG 12 H ARG 12 11.740 5.904 4.209
93 HA ARG 12 HA ARG 12 14.489 6.343 3.706
94 1HB ARG 12 HB2 ARG 12 13.326 6.955 5.769
95 2HB ARG 12 HB3 ARG 12 13.191 5.247 6.233
96 1HG ARG 12 HG2 ARG 12 15.652 5.038 6.265
97 2HG ARG 12 HG3 ARG 12 15.820 6.717 5.725
98 1HD ARG 12 HD2 ARG 12 14.552 5.823 8.365
99 2HD ARG 12 HD3 ARG 12 16.187 6.419 8.158
100 HE ARG 12 HE ARG 12 15.486 8.582 7.757
101 1HH1 ARG 12 HH21 ARG 12 12.659 6.509 8.233
102 2HH1 ARG 12 HH22 ARG 12 11.587 7.829 8.608
103 1HH2 ARG 12 HH11 ARG 12 14.096 10.300 8.205
104 2HH2 ARG 12 HH12 ARG 12 12.415 10.023 8.568
105 H MET 13 H MET 13 12.846 3.252 4.775
106 HA MET 13 HA MET 13 15.353 1.840 4.631
107 1HB MET 13 HB2 MET 13 14.157 -0.192 4.914
108 2HB MET 13 HB3 MET 13 13.541 1.037 6.027
109 1HG MET 13 HG2 MET 13 11.660 1.445 4.477
110 2HG MET 13 HG3 MET 13 12.194 0.115 3.446
111 1HE MET 13 HE1 MET 13 13.064 -2.114 5.633
112 2HE MET 13 HE2 MET 13 11.523 -2.991 5.730
113 3HE MET 13 HE3 MET 13 12.116 -2.419 4.153
114 H GLN 14 H GLN 14 12.785 2.415 2.228
115 HA GLN 14 HA GLN 14 13.755 0.743 0.147
116 1HB GLN 14 HB2 GLN 14 11.566 1.833 0.163
117 2HB GLN 14 HB3 GLN 14 12.335 3.420 0.186
118 1HG GLN 14 HG2 GLN 14 13.205 3.015 -2.125
119 2HG GLN 14 HG3 GLN 14 12.355 1.456 -2.126
120 1HE2 GLN 14 HE22 GLN 14 11.749 4.947 -1.381
121 2HE2 GLN 14 HE21 GLN 14 10.086 4.958 -1.939
122 H GLU 15 H GLU 15 14.541 4.161 1.005
123 HA GLU 15 HA GLU 15 16.402 4.586 -1.072
124 1HB GLU 15 HB2 GLU 15 15.499 6.425 0.221
125 2HB GLU 15 HB3 GLU 15 16.225 5.815 1.712
126 1HG GLU 15 HG2 GLU 15 17.484 7.717 0.757
127 2HG GLU 15 HG3 GLU 15 18.472 6.262 0.899
128 H LYS 16 H LYS 16 16.941 3.387 2.299
129 HA LYS 16 HA LYS 16 19.753 2.982 1.996
130 1HB LYS 16 HB2 LYS 16 17.739 1.437 3.677
131 2HB LYS 16 HB3 LYS 16 19.489 1.311 3.841
132 1HG LYS 16 HG2 LYS 16 17.899 3.888 4.259
133 2HG LYS 16 HG3 LYS 16 18.409 2.775 5.532
134 1HD LYS 16 HD2 LYS 16 20.802 3.137 4.850
135 2HD LYS 16 HD3 LYS 16 20.252 4.360 3.683
136 1HE LYS 16 HE2 LYS 16 19.224 5.667 5.525
137 2HE LYS 16 HE3 LYS 16 19.787 4.459 6.697
138 1HZ LYS 16 HZ1 LYS 16 21.254 6.322 6.571
139 2HZ LYS 16 HZ2 LYS 16 22.027 4.964 6.049
140 3HZ LYS 16 HZ3 LYS 16 21.505 6.087 4.961
141 H GLU 17 H GLU 17 17.047 0.735 1.402
142 HA GLU 17 HA GLU 17 18.479 -1.539 0.692
143 1HB GLU 17 HB2 GLU 17 16.015 -1.386 1.125
144 2HB GLU 17 HB3 GLU 17 15.813 -0.567 -0.424
145 1HG GLU 17 HG2 GLU 17 15.183 -2.869 -0.674
146 2HG GLU 17 HG3 GLU 17 16.656 -2.593 -1.606
147 H ARG 18 H ARG 18 17.322 1.134 -1.419
148 HA ARG 18 HA ARG 18 18.530 0.091 -3.795
149 1HB ARG 18 HB2 ARG 18 16.804 1.767 -3.987
150 2HB ARG 18 HB3 ARG 18 17.703 2.902 -2.973
151 1HG ARG 18 HG2 ARG 18 17.846 3.566 -5.311
152 2HG ARG 18 HG3 ARG 18 19.439 3.156 -4.696
153 1HD ARG 18 HD2 ARG 18 19.065 0.801 -5.790
154 2HD ARG 18 HD3 ARG 18 17.658 1.530 -6.547
155 HE ARG 18 HE ARG 18 19.029 2.765 -7.940
156 1HH1 ARG 18 HH21 ARG 18 21.064 1.305 -5.375
157 2HH1 ARG 18 HH22 ARG 18 22.519 1.420 -6.315
158 1HH2 ARG 18 HH11 ARG 18 20.994 3.038 -9.071
159 2HH2 ARG 18 HH12 ARG 18 22.498 2.505 -8.363
160 H ASN 19 H ASN 19 19.609 2.557 -1.441
161 HA ASN 19 HA ASN 19 21.848 3.468 -2.740
162 1HB ASN 19 HB2 ASN 19 20.865 4.515 -0.722
163 2HB ASN 19 HB3 ASN 19 21.515 3.200 0.273
164 1HD2 ASN 19 HD22 ASN 19 22.375 5.966 -1.825
165 2HD2 ASN 19 HD21 ASN 19 24.007 6.139 -1.200
166 H LYS 20 H LYS 20 21.736 0.674 -0.454
167 HA LYS 20 HA LYS 20 24.530 0.238 -0.431
168 1HB LYS 20 HB2 LYS 20 24.049 -2.088 0.167
169 2HB LYS 20 HB3 LYS 20 23.178 -0.912 1.157
170 1HG LYS 20 HG2 LYS 20 21.101 -1.411 0.183
171 2HG LYS 20 HG3 LYS 20 21.827 -2.146 -1.258
172 1HD LYS 20 HD2 LYS 20 22.606 -4.063 0.023
173 2HD LYS 20 HD3 LYS 20 22.094 -3.316 1.547
174 1HE LYS 20 HE2 LYS 20 20.512 -5.074 0.710
175 2HE LYS 20 HE3 LYS 20 19.761 -3.494 0.954
176 1HZ LYS 20 HZ1 LYS 20 19.889 -3.100 -1.377
177 2HZ LYS 20 HZ2 LYS 20 20.669 -4.535 -1.641
178 3HZ LYS 20 HZ3 LYS 20 19.108 -4.523 -1.099
179 H GLY 21 H GLY 21 22.308 -0.332 -3.088
180 1HA GLY 21 HA2 GLY 21 24.051 -2.126 -4.598
181 2HA GLY 21 HA3 GLY 21 22.639 -1.224 -5.169
182 H GLN 22 H GLN 22 25.945 -0.629 -3.938
183 HA GLN 22 HA GLN 22 26.433 1.355 -6.122
184 1HB GLN 22 HB2 GLN 22 27.622 2.785 -4.560
185 2HB GLN 22 HB3 GLN 22 25.944 2.566 -4.052
186 1HG GLN 22 HG2 GLN 22 26.759 0.797 -2.406
187 2HG GLN 22 HG3 GLN 22 28.415 1.213 -2.865
188 1HE2 GLN 22 HE22 GLN 22 25.356 2.750 -1.757
189 2HE2 GLN 22 HE21 GLN 22 26.111 3.862 -0.639
Start of MODEL 17
1 1H PHE 1 H1 PHE 1 2.943 7.232 0.199
2 2H PHE 1 H2 PHE 1 2.452 8.443 -0.803
3 3H PHE 1 H3 PHE 1 1.544 7.079 -0.660
4 HA PHE 1 HA PHE 1 2.067 9.086 1.409
5 1HB PHE 1 HB2 PHE 1 0.455 9.947 -0.142
6 2HB PHE 1 HB3 PHE 1 -0.417 8.416 -0.193
7 HD1 PHE 1 HD1 PHE 1 -2.239 8.013 1.276
8 HD2 PHE 1 HD2 PHE 1 0.585 11.138 2.207
9 HE1 PHE 1 HE1 PHE 1 -3.517 8.561 3.324
10 HE2 PHE 1 HE2 PHE 1 -0.694 11.673 4.262
11 HZ PHE 1 HZ PHE 1 -2.750 10.392 4.821
12 H VAL 2 H VAL 2 0.409 6.067 0.635
13 HA VAL 2 HA VAL 2 -1.066 5.488 2.744
14 HB VAL 2 HB VAL 2 -0.966 4.079 0.889
15 1HG1 VAL 2 HG11 VAL 2 1.761 3.010 1.727
16 2HG1 VAL 2 HG12 VAL 2 0.768 2.486 0.366
17 3HG1 VAL 2 HG13 VAL 2 1.466 4.109 0.367
18 1HG2 VAL 2 HG21 VAL 2 -1.798 3.112 3.000
19 2HG2 VAL 2 HG22 VAL 2 -1.103 1.886 1.926
20 3HG2 VAL 2 HG23 VAL 2 -0.186 2.447 3.335
21 HA PRO 3 HA PRO 3 2.074 5.837 5.915
22 1HB PRO 3 HB2 PRO 3 0.574 6.451 8.087
23 2HB PRO 3 HB3 PRO 3 0.704 7.538 6.681
24 1HG PRO 3 HG2 PRO 3 -1.486 5.504 7.202
25 2HG PRO 3 HG3 PRO 3 -1.683 7.252 6.869
26 1HD PRO 3 HD2 PRO 3 -1.853 5.392 4.889
27 2HD PRO 3 HD3 PRO 3 -1.067 6.975 4.598
28 H ILE 4 H ILE 4 1.915 3.266 5.176
29 HA ILE 4 HA ILE 4 0.849 1.463 7.060
30 HB ILE 4 HB ILE 4 3.051 0.067 6.103
31 1HG1 ILE 4 HG12 ILE 4 3.204 0.424 3.719
32 2HG1 ILE 4 HG13 ILE 4 2.181 1.846 3.788
33 1HG2 ILE 4 HG21 ILE 4 1.447 -0.932 4.538
34 2HG2 ILE 4 HG22 ILE 4 0.735 -0.678 6.137
35 3HG2 ILE 4 HG23 ILE 4 0.334 0.427 4.802
36 1HD1 ILE 4 HD11 ILE 4 4.936 1.555 5.087
37 2HD1 ILE 4 HD12 ILE 4 4.601 2.345 3.533
38 3HD1 ILE 4 HD13 ILE 4 3.988 3.065 5.010
39 H PHE 5 H PHE 5 4.202 2.532 6.853
40 HA PHE 5 HA PHE 5 4.409 2.360 9.836
41 1HB PHE 5 HB2 PHE 5 6.794 2.122 8.003
42 2HB PHE 5 HB3 PHE 5 6.635 1.615 9.677
43 HD1 PHE 5 HD1 PHE 5 4.499 -0.231 9.878
44 HD2 PHE 5 HD2 PHE 5 7.080 0.384 6.472
45 HE1 PHE 5 HE1 PHE 5 3.890 -2.467 9.004
46 HE2 PHE 5 HE2 PHE 5 6.455 -1.844 5.601
47 HZ PHE 5 HZ PHE 5 4.855 -3.271 6.854
48 H THR 6 H THR 6 3.436 4.440 8.002
49 HA THR 6 HA THR 6 3.649 6.668 7.593
50 HB THR 6 HB THR 6 6.449 6.857 8.736
51 HG1 THR 6 HG1 THR 6 5.449 5.887 10.353
52 1HG2 THR 6 HG21 THR 6 4.065 8.753 8.722
53 2HG2 THR 6 HG22 THR 6 5.447 8.825 7.601
54 3HG2 THR 6 HG23 THR 6 5.692 9.098 9.337
55 H TYR 7 H TYR 7 3.802 6.728 5.365
56 HA TYR 7 HA TYR 7 5.264 5.035 3.843
57 1HB TYR 7 HB2 TYR 7 3.430 6.323 2.967
58 2HB TYR 7 HB3 TYR 7 4.332 7.831 3.112
59 HD1 TYR 7 HD1 TYR 7 4.366 4.474 1.425
60 HD2 TYR 7 HD2 TYR 7 5.732 8.564 1.308
61 HE1 TYR 7 HE1 TYR 7 5.483 4.042 -0.741
62 HE2 TYR 7 HE2 TYR 7 6.831 8.130 -0.871
63 HH TYR 7 HH TYR 7 6.809 4.918 -2.425
64 H GLY 8 H GLY 8 6.321 8.281 4.750
65 1HA GLY 8 HA2 GLY 8 8.670 8.633 3.345
66 2HA GLY 8 HA3 GLY 8 8.442 9.145 5.026
67 H GLU 9 H GLU 9 8.204 6.511 6.226
68 HA GLU 9 HA GLU 9 11.038 5.932 6.497
69 1HB GLU 9 HB2 GLU 9 8.581 4.598 7.710
70 2HB GLU 9 HB3 GLU 9 10.264 4.249 8.115
71 1HG GLU 9 HG2 GLU 9 10.548 6.736 8.659
72 2HG GLU 9 HG3 GLU 9 8.800 6.903 8.494
73 H LEU 10 H LEU 10 8.266 4.421 4.820
74 HA LEU 10 HA LEU 10 9.718 1.987 4.183
75 1HB LEU 10 HB2 LEU 10 7.271 2.031 4.126
76 2HB LEU 10 HB3 LEU 10 7.291 3.269 2.863
77 HG LEU 10 HG LEU 10 8.378 1.692 1.294
78 1HD1 LEU 10 HD11 LEU 10 8.116 -0.309 3.588
79 2HD1 LEU 10 HD12 LEU 10 8.453 -0.744 1.900
80 3HD1 LEU 10 HD13 LEU 10 9.624 0.217 2.803
81 1HD2 LEU 10 HD21 LEU 10 5.911 1.866 1.413
82 2HD2 LEU 10 HD22 LEU 10 6.451 0.250 0.929
83 3HD2 LEU 10 HD23 LEU 10 5.885 0.527 2.587
84 H GLN 11 H GLN 11 9.085 5.119 2.557
85 HA GLN 11 HA GLN 11 10.543 4.547 0.205
86 1HB GLN 11 HB2 GLN 11 9.017 6.641 1.020
87 2HB GLN 11 HB3 GLN 11 10.614 7.366 1.229
88 1HG GLN 11 HG2 GLN 11 9.459 6.099 -1.305
89 2HG GLN 11 HG3 GLN 11 9.675 7.823 -0.996
90 1HE2 GLN 11 HE22 GLN 11 11.221 4.904 -2.158
91 2HE2 GLN 11 HE21 GLN 11 12.794 5.652 -2.436
92 H ARG 12 H ARG 12 11.619 6.114 3.265
93 HA ARG 12 HA ARG 12 14.342 6.400 2.733
94 1HB ARG 12 HB2 ARG 12 13.170 7.190 4.768
95 2HB ARG 12 HB3 ARG 12 13.019 5.517 5.313
96 1HG ARG 12 HG2 ARG 12 15.558 5.366 5.341
97 2HG ARG 12 HG3 ARG 12 15.597 7.091 4.936
98 1HD ARG 12 HD2 ARG 12 15.816 6.792 7.366
99 2HD ARG 12 HD3 ARG 12 14.270 7.576 6.980
100 HE ARG 12 HE ARG 12 14.196 4.645 7.177
101 1HH1 ARG 12 HH11 ARG 12 13.838 7.642 9.033
102 2HH1 ARG 12 HH12 ARG 12 12.741 6.938 10.192
103 1HH2 ARG 12 HH21 ARG 12 12.799 3.732 8.701
104 2HH2 ARG 12 HH22 ARG 12 12.061 4.714 9.943
105 H MET 13 H MET 13 12.651 3.446 3.994
106 HA MET 13 HA MET 13 14.933 1.806 4.108
107 1HB MET 13 HB2 MET 13 12.700 1.296 5.082
108 2HB MET 13 HB3 MET 13 12.089 0.925 3.462
109 1HG MET 13 HG2 MET 13 13.745 -0.878 3.235
110 2HG MET 13 HG3 MET 13 14.407 -0.483 4.831
111 1HE MET 13 HE1 MET 13 13.538 -3.419 3.950
112 2HE MET 13 HE2 MET 13 14.210 -3.004 5.547
113 3HE MET 13 HE3 MET 13 12.708 -3.950 5.430
114 H GLN 14 H GLN 14 12.680 2.358 1.340
115 HA GLN 14 HA GLN 14 13.985 0.640 -0.524
116 1HB GLN 14 HB2 GLN 14 12.563 3.275 -1.022
117 2HB GLN 14 HB3 GLN 14 13.044 2.142 -2.277
118 1HG GLN 14 HG2 GLN 14 11.565 0.442 -1.477
119 2HG GLN 14 HG3 GLN 14 11.175 1.345 -0.011
120 1HE2 GLN 14 HE22 GLN 14 9.132 0.423 -1.678
121 2HE2 GLN 14 HE21 GLN 14 8.380 1.807 -2.451
122 H GLU 15 H GLU 15 14.605 4.120 0.234
123 HA GLU 15 HA GLU 15 16.771 4.379 -1.616
124 1HB GLU 15 HB2 GLU 15 16.329 5.904 0.990
125 2HB GLU 15 HB3 GLU 15 17.431 6.352 -0.317
126 1HG GLU 15 HG2 GLU 15 14.392 6.280 -0.451
127 2HG GLU 15 HG3 GLU 15 15.431 7.692 -0.521
128 H LYS 16 H LYS 16 16.729 3.301 1.797
129 HA LYS 16 HA LYS 16 19.545 3.091 2.092
130 1HB LYS 16 HB2 LYS 16 17.867 2.983 3.932
131 2HB LYS 16 HB3 LYS 16 17.408 1.358 3.398
132 1HG LYS 16 HG2 LYS 16 19.730 0.571 3.796
133 2HG LYS 16 HG3 LYS 16 20.192 2.214 4.292
134 1HD LYS 16 HD2 LYS 16 18.568 2.109 6.171
135 2HD LYS 16 HD3 LYS 16 18.031 0.512 5.630
136 1HE LYS 16 HE2 LYS 16 19.566 0.274 7.513
137 2HE LYS 16 HE3 LYS 16 20.290 -0.419 6.054
138 1HZ LYS 16 HZ1 LYS 16 20.866 2.248 7.153
139 2HZ LYS 16 HZ2 LYS 16 21.829 0.920 7.304
140 3HZ LYS 16 HZ3 LYS 16 21.572 1.586 5.820
141 H GLU 17 H GLU 17 17.112 0.649 1.039
142 HA GLU 17 HA GLU 17 18.904 -1.472 0.465
143 1HB GLU 17 HB2 GLU 17 16.282 -0.663 -0.856
144 2HB GLU 17 HB3 GLU 17 17.136 -2.170 -1.206
145 1HG GLU 17 HG2 GLU 17 16.893 -2.953 1.064
146 2HG GLU 17 HG3 GLU 17 16.267 -1.395 1.612
147 H ARG 18 H ARG 18 17.719 1.144 -1.702
148 HA ARG 18 HA ARG 18 19.201 0.433 -3.982
149 1HB ARG 18 HB2 ARG 18 17.361 2.121 -3.867
150 2HB ARG 18 HB3 ARG 18 18.471 3.242 -3.061
151 1HG ARG 18 HG2 ARG 18 19.968 3.170 -5.055
152 2HG ARG 18 HG3 ARG 18 18.865 2.029 -5.835
153 1HD ARG 18 HD2 ARG 18 18.449 4.304 -6.685
154 2HD ARG 18 HD3 ARG 18 17.055 3.694 -5.801
155 HE ARG 18 HE ARG 18 17.251 5.385 -4.290
156 1HH1 ARG 18 HH21 ARG 18 20.360 5.082 -5.942
157 2HH1 ARG 18 HH22 ARG 18 21.036 6.523 -5.231
158 1HH2 ARG 18 HH11 ARG 18 18.084 7.245 -3.385
159 2HH2 ARG 18 HH12 ARG 18 19.718 7.778 -3.715
160 H ASN 19 H ASN 19 20.111 2.650 -1.310
161 HA ASN 19 HA ASN 19 22.663 3.398 -2.239
162 1HB ASN 19 HB2 ASN 19 21.660 4.583 -0.403
163 2HB ASN 19 HB3 ASN 19 21.533 3.113 0.566
164 1HD2 ASN 19 HD22 ASN 19 24.078 5.090 -1.102
165 2HD2 ASN 19 HD21 ASN 19 25.267 4.826 0.160
166 H LYS 20 H LYS 20 21.766 0.644 -0.077
167 HA LYS 20 HA LYS 20 24.464 -0.338 0.126
168 1HB LYS 20 HB2 LYS 20 21.787 -1.753 0.443
169 2HB LYS 20 HB3 LYS 20 23.347 -2.456 0.881
170 1HG LYS 20 HG2 LYS 20 22.192 0.089 2.119
171 2HG LYS 20 HG3 LYS 20 22.077 -1.538 2.799
172 1HD LYS 20 HD2 LYS 20 24.611 -1.629 2.855
173 2HD LYS 20 HD3 LYS 20 24.640 0.048 2.284
174 1HE LYS 20 HE2 LYS 20 24.936 0.058 4.667
175 2HE LYS 20 HE3 LYS 20 23.368 0.779 4.277
176 1HZ LYS 20 HZ1 LYS 20 22.344 -1.303 4.869
177 2HZ LYS 20 HZ2 LYS 20 23.811 -1.989 5.178
178 3HZ LYS 20 HZ3 LYS 20 23.264 -0.754 6.121
179 H GLY 21 H GLY 21 21.841 -1.011 -2.194
180 1HA GLY 21 HA2 GLY 21 23.127 -3.094 -3.644
181 2HA GLY 21 HA3 GLY 21 21.900 -1.976 -4.266
182 H GLN 22 H GLN 22 23.213 0.472 -4.020
183 HA GLN 22 HA GLN 22 24.708 0.539 -6.408
184 1HB GLN 22 HB2 GLN 22 23.431 2.443 -5.544
185 2HB GLN 22 HB3 GLN 22 24.493 2.557 -4.137
186 1HG GLN 22 HG2 GLN 22 25.002 4.296 -5.745
187 2HG GLN 22 HG3 GLN 22 26.387 3.224 -5.571
188 1HE2 GLN 22 HE22 GLN 22 26.746 1.589 -7.338
189 2HE2 GLN 22 HE21 GLN 22 26.180 2.004 -8.953
Start of MODEL 18
1 1H PHE 1 H1 PHE 1 3.515 8.138 0.802
2 2H PHE 1 H2 PHE 1 3.380 9.747 0.472
3 3H PHE 1 H3 PHE 1 2.124 8.733 0.153
4 HA PHE 1 HA PHE 1 3.216 9.416 2.783
5 1HB PHE 1 HB2 PHE 1 1.928 11.247 1.874
6 2HB PHE 1 HB3 PHE 1 0.608 10.171 1.428
7 HD1 PHE 1 HD1 PHE 1 -1.273 10.206 2.844
8 HD2 PHE 1 HD2 PHE 1 2.616 11.056 4.512
9 HE1 PHE 1 HE1 PHE 1 -2.299 10.563 5.068
10 HE2 PHE 1 HE2 PHE 1 1.580 11.392 6.739
11 HZ PHE 1 HZ PHE 1 -0.877 11.150 7.020
12 H VAL 2 H VAL 2 0.526 7.855 1.135
13 HA VAL 2 HA VAL 2 -1.057 6.396 2.356
14 HB VAL 2 HB VAL 2 -0.405 4.267 1.201
15 1HG1 VAL 2 HG11 VAL 2 -0.501 6.826 -0.452
16 2HG1 VAL 2 HG12 VAL 2 -0.909 5.192 -1.006
17 3HG1 VAL 2 HG13 VAL 2 -1.900 5.971 0.234
18 1HG2 VAL 2 HG21 VAL 2 1.865 5.976 0.056
19 2HG2 VAL 2 HG22 VAL 2 2.068 4.526 1.059
20 3HG2 VAL 2 HG23 VAL 2 1.334 4.394 -0.533
21 HA PRO 3 HA PRO 3 1.494 5.413 5.907
22 1HB PRO 3 HB2 PRO 3 -1.130 5.753 7.382
23 2HB PRO 3 HB3 PRO 3 0.499 6.313 7.851
24 1HG PRO 3 HG2 PRO 3 -1.262 8.037 6.744
25 2HG PRO 3 HG3 PRO 3 0.426 8.022 6.139
26 1HD PRO 3 HD2 PRO 3 -1.980 6.590 4.948
27 2HD PRO 3 HD3 PRO 3 -0.819 7.690 4.159
28 H ILE 4 H ILE 4 1.430 3.188 4.720
29 HA ILE 4 HA ILE 4 -0.174 1.172 5.982
30 HB ILE 4 HB ILE 4 2.555 0.381 4.967
31 1HG1 ILE 4 HG12 ILE 4 1.245 0.260 2.627
32 2HG1 ILE 4 HG13 ILE 4 0.527 1.752 3.226
33 1HG2 ILE 4 HG21 ILE 4 -0.214 -0.782 4.567
34 2HG2 ILE 4 HG22 ILE 4 1.341 -1.537 4.157
35 3HG2 ILE 4 HG23 ILE 4 0.925 -1.244 5.851
36 1HD1 ILE 4 HD11 ILE 4 2.974 2.553 3.648
37 2HD1 ILE 4 HD12 ILE 4 3.481 1.057 2.858
38 3HD1 ILE 4 HD13 ILE 4 2.555 2.259 1.945
39 H PHE 5 H PHE 5 3.253 1.889 6.328
40 HA PHE 5 HA PHE 5 3.057 1.651 9.306
41 1HB PHE 5 HB2 PHE 5 5.564 1.126 7.704
42 2HB PHE 5 HB3 PHE 5 5.256 0.727 9.387
43 HD1 PHE 5 HD1 PHE 5 6.127 -0.910 6.666
44 HD2 PHE 5 HD2 PHE 5 2.687 -0.776 9.268
45 HE1 PHE 5 HE1 PHE 5 5.375 -3.101 5.792
46 HE2 PHE 5 HE2 PHE 5 1.953 -2.974 8.403
47 HZ PHE 5 HZ PHE 5 3.277 -4.130 6.640
48 H THR 6 H THR 6 2.645 3.825 7.289
49 HA THR 6 HA THR 6 3.121 6.087 7.121
50 HB THR 6 HB THR 6 5.775 5.840 8.551
51 HG1 THR 6 HG1 THR 6 4.381 5.025 9.989
52 1HG2 THR 6 HG21 THR 6 5.243 7.931 7.323
53 2HG2 THR 6 HG22 THR 6 3.740 8.088 8.263
54 3HG2 THR 6 HG23 THR 6 5.311 8.174 9.079
55 H TYR 7 H TYR 7 3.517 6.202 4.843
56 HA TYR 7 HA TYR 7 5.229 4.443 3.569
57 1HB TYR 7 HB2 TYR 7 3.541 5.731 2.375
58 2HB TYR 7 HB3 TYR 7 4.475 7.218 2.639
59 HD1 TYR 7 HD1 TYR 7 5.916 7.931 0.916
60 HD2 TYR 7 HD2 TYR 7 4.953 3.739 1.246
61 HE1 TYR 7 HE1 TYR 7 7.519 7.418 -0.893
62 HE2 TYR 7 HE2 TYR 7 6.655 3.220 -0.480
63 HH TYR 7 HH TYR 7 8.741 5.750 -1.911
64 H GLY 8 H GLY 8 6.052 7.580 4.935
65 1HA GLY 8 HA2 GLY 8 8.598 8.129 4.036
66 2HA GLY 8 HA3 GLY 8 8.080 8.338 5.716
67 H GLU 9 H GLU 9 7.674 5.530 6.357
68 HA GLU 9 HA GLU 9 10.353 4.845 7.153
69 1HB GLU 9 HB2 GLU 9 8.291 4.241 8.423
70 2HB GLU 9 HB3 GLU 9 7.804 3.159 7.114
71 1HG GLU 9 HG2 GLU 9 9.923 1.841 7.475
72 2HG GLU 9 HG3 GLU 9 10.310 2.908 8.834
73 H LEU 10 H LEU 10 8.070 3.527 4.716
74 HA LEU 10 HA LEU 10 9.862 1.521 3.683
75 1HB LEU 10 HB2 LEU 10 7.420 2.886 2.462
76 2HB LEU 10 HB3 LEU 10 8.362 1.622 1.678
77 HG LEU 10 HG LEU 10 7.887 0.105 3.658
78 1HD1 LEU 10 HD11 LEU 10 5.891 2.328 4.296
79 2HD1 LEU 10 HD12 LEU 10 5.725 0.665 4.874
80 3HD1 LEU 10 HD13 LEU 10 7.114 1.625 5.382
81 1HD2 LEU 10 HD21 LEU 10 5.614 1.127 1.910
82 2HD2 LEU 10 HD22 LEU 10 6.796 -0.127 1.489
83 3HD2 LEU 10 HD23 LEU 10 5.618 -0.430 2.776
84 H GLN 11 H GLN 11 9.259 4.957 2.914
85 HA GLN 11 HA GLN 11 10.762 4.933 0.523
86 1HB GLN 11 HB2 GLN 11 9.114 6.684 1.157
87 2HB GLN 11 HB3 GLN 11 10.238 7.302 2.370
88 1HG GLN 11 HG2 GLN 11 10.253 8.591 0.229
89 2HG GLN 11 HG3 GLN 11 11.837 7.952 0.663
90 1HE2 GLN 11 HE22 GLN 11 12.671 6.065 -0.530
91 2HE2 GLN 11 HE21 GLN 11 12.061 5.765 -2.154
92 H ARG 12 H ARG 12 11.636 5.848 3.864
93 HA ARG 12 HA ARG 12 14.375 6.416 3.443
94 1HB ARG 12 HB2 ARG 12 13.072 6.905 5.492
95 2HB ARG 12 HB3 ARG 12 13.021 5.177 5.883
96 1HG ARG 12 HG2 ARG 12 15.517 5.142 5.992
97 2HG ARG 12 HG3 ARG 12 15.543 6.870 5.599
98 1HD ARG 12 HD2 ARG 12 14.246 5.580 8.045
99 2HD ARG 12 HD3 ARG 12 15.779 6.441 8.065
100 HE ARG 12 HE ARG 12 13.088 7.541 8.058
101 1HH1 ARG 12 HH21 ARG 12 16.428 8.266 7.188
102 2HH1 ARG 12 HH22 ARG 12 16.222 9.997 7.241
103 1HH2 ARG 12 HH11 ARG 12 12.794 9.791 8.133
104 2HH2 ARG 12 HH12 ARG 12 14.112 10.877 7.790
105 H MET 13 H MET 13 12.718 3.329 4.296
106 HA MET 13 HA MET 13 14.999 1.709 4.368
107 1HB MET 13 HB2 MET 13 12.676 1.108 5.093
108 2HB MET 13 HB3 MET 13 12.217 0.908 3.392
109 1HG MET 13 HG2 MET 13 13.992 -0.845 3.166
110 2HG MET 13 HG3 MET 13 14.345 -0.675 4.889
111 1HE MET 13 HE1 MET 13 12.601 -1.318 6.805
112 2HE MET 13 HE2 MET 13 11.260 -0.396 6.071
113 3HE MET 13 HE3 MET 13 11.037 -2.106 6.489
114 H GLN 14 H GLN 14 12.891 2.419 1.522
115 HA GLN 14 HA GLN 14 14.416 0.970 -0.382
116 1HB GLN 14 HB2 GLN 14 12.675 3.442 -0.598
117 2HB GLN 14 HB3 GLN 14 13.451 2.717 -2.010
118 1HG GLN 14 HG2 GLN 14 12.268 0.672 -1.798
119 2HG GLN 14 HG3 GLN 14 11.699 1.052 -0.169
120 1HE2 GLN 14 HE22 GLN 14 10.276 2.916 0.083
121 2HE2 GLN 14 HE21 GLN 14 9.194 3.416 -1.232
122 H GLU 15 H GLU 15 14.771 4.413 0.680
123 HA GLU 15 HA GLU 15 16.918 5.064 -1.052
124 1HB GLU 15 HB2 GLU 15 16.242 6.051 1.743
125 2HB GLU 15 HB3 GLU 15 17.568 6.707 0.781
126 1HG GLU 15 HG2 GLU 15 16.091 7.472 -0.949
127 2HG GLU 15 HG3 GLU 15 14.710 6.625 -0.252
128 H LYS 16 H LYS 16 17.066 3.680 2.290
129 HA LYS 16 HA LYS 16 19.943 3.518 2.301
130 1HB LYS 16 HB2 LYS 16 17.711 2.357 3.962
131 2HB LYS 16 HB3 LYS 16 19.327 1.661 4.093
132 1HG LYS 16 HG2 LYS 16 18.962 3.397 5.782
133 2HG LYS 16 HG3 LYS 16 20.326 3.749 4.713
134 1HD LYS 16 HD2 LYS 16 18.947 5.370 3.445
135 2HD LYS 16 HD3 LYS 16 17.547 4.983 4.464
136 1HE LYS 16 HE2 LYS 16 18.733 5.841 6.448
137 2HE LYS 16 HE3 LYS 16 20.187 6.134 5.475
138 1HZ LYS 16 HZ1 LYS 16 18.912 8.116 5.782
139 2HZ LYS 16 HZ2 LYS 16 18.958 7.707 4.188
140 3HZ LYS 16 HZ3 LYS 16 17.590 7.439 5.064
141 H GLU 17 H GLU 17 17.414 1.139 1.442
142 HA GLU 17 HA GLU 17 19.093 -1.050 0.947
143 1HB GLU 17 HB2 GLU 17 16.623 -1.096 1.090
144 2HB GLU 17 HB3 GLU 17 16.499 -0.347 -0.506
145 1HG GLU 17 HG2 GLU 17 18.040 -2.948 -0.072
146 2HG GLU 17 HG3 GLU 17 16.284 -2.938 -0.238
147 H ARG 18 H ARG 18 18.030 1.553 -1.335
148 HA ARG 18 HA ARG 18 19.644 0.475 -3.445
149 1HB ARG 18 HB2 ARG 18 17.626 1.891 -3.812
150 2HB ARG 18 HB3 ARG 18 18.512 3.280 -3.179
151 1HG ARG 18 HG2 ARG 18 18.466 3.250 -5.644
152 2HG ARG 18 HG3 ARG 18 20.118 3.169 -5.038
153 1HD ARG 18 HD2 ARG 18 19.682 1.664 -6.981
154 2HD ARG 18 HD3 ARG 18 20.280 0.808 -5.576
155 HE ARG 18 HE ARG 18 17.410 0.969 -6.462
156 1HH1 ARG 18 HH21 ARG 18 19.990 -1.152 -5.137
157 2HH1 ARG 18 HH22 ARG 18 18.837 -2.153 -4.296
158 1HH2 ARG 18 HH11 ARG 18 15.982 -0.482 -5.536
159 2HH2 ARG 18 HH12 ARG 18 16.553 -1.786 -4.533
160 H ASN 19 H ASN 19 20.244 2.995 -1.008
161 HA ASN 19 HA ASN 19 22.667 4.001 -2.024
162 1HB ASN 19 HB2 ASN 19 21.559 5.046 -0.135
163 2HB ASN 19 HB3 ASN 19 21.786 3.593 0.850
164 1HD2 ASN 19 HD22 ASN 19 23.849 5.817 -1.166
165 2HD2 ASN 19 HD21 ASN 19 25.142 5.861 0.017
166 H LYS 20 H LYS 20 22.111 1.164 0.119
167 HA LYS 20 HA LYS 20 24.910 0.379 0.055
168 1HB LYS 20 HB2 LYS 20 23.484 -0.233 1.918
169 2HB LYS 20 HB3 LYS 20 22.359 -1.080 0.856
170 1HG LYS 20 HG2 LYS 20 23.787 -2.626 2.101
171 2HG LYS 20 HG3 LYS 20 24.026 -2.803 0.361
172 1HD LYS 20 HD2 LYS 20 26.126 -1.516 0.476
173 2HD LYS 20 HD3 LYS 20 25.850 -1.176 2.200
174 1HE LYS 20 HE2 LYS 20 25.989 -3.611 2.690
175 2HE LYS 20 HE3 LYS 20 26.228 -3.947 0.963
176 1HZ LYS 20 HZ1 LYS 20 28.285 -3.901 2.150
177 2HZ LYS 20 HZ2 LYS 20 28.239 -2.671 1.055
178 3HZ LYS 20 HZ3 LYS 20 28.020 -2.356 2.659
179 H GLY 21 H GLY 21 21.945 -0.979 -1.423
180 1HA GLY 21 HA2 GLY 21 23.340 -2.929 -3.022
181 2HA GLY 21 HA3 GLY 21 21.611 -2.558 -3.012
182 H GLN 22 H GLN 22 24.710 -1.061 -3.987
183 HA GLN 22 HA GLN 22 23.769 -0.843 -6.758
184 1HB GLN 22 HB2 GLN 22 24.394 1.521 -6.975
185 2HB GLN 22 HB3 GLN 22 23.046 1.296 -5.855
186 1HG GLN 22 HG2 GLN 22 24.652 1.486 -3.932
187 2HG GLN 22 HG3 GLN 22 25.968 1.769 -5.079
188 1HE2 GLN 22 HE22 GLN 22 22.690 2.990 -4.286
189 2HE2 GLN 22 HE21 GLN 22 23.057 4.687 -4.632
Start of MODEL 19
1 1H PHE 1 H1 PHE 1 -0.969 8.037 -1.366
2 2H PHE 1 H2 PHE 1 -1.668 7.917 0.116
3 3H PHE 1 H3 PHE 1 -1.471 6.569 -0.818
4 HA PHE 1 HA PHE 1 0.880 6.772 -0.738
5 1HB PHE 1 HB2 PHE 1 2.004 8.319 0.637
6 2HB PHE 1 HB3 PHE 1 0.925 9.220 -0.416
7 HD1 PHE 1 HD1 PHE 1 -1.378 9.985 0.593
8 HD2 PHE 1 HD2 PHE 1 2.027 8.774 2.949
9 HE1 PHE 1 HE1 PHE 1 -2.316 11.160 2.559
10 HE2 PHE 1 HE2 PHE 1 1.139 10.060 4.874
11 HZ PHE 1 HZ PHE 1 -1.058 11.207 4.702
12 H VAL 2 H VAL 2 -1.720 6.565 1.503
13 HA VAL 2 HA VAL 2 -2.093 5.324 3.376
14 HB VAL 2 HB VAL 2 -0.841 3.178 1.650
15 1HG1 VAL 2 HG11 VAL 2 -2.636 1.807 2.588
16 2HG1 VAL 2 HG12 VAL 2 -1.762 2.553 3.933
17 3HG1 VAL 2 HG13 VAL 2 -3.327 3.208 3.431
18 1HG2 VAL 2 HG21 VAL 2 -3.523 4.589 1.321
19 2HG2 VAL 2 HG22 VAL 2 -2.197 4.526 0.136
20 3HG2 VAL 2 HG23 VAL 2 -3.080 3.056 0.545
21 HA PRO 3 HA PRO 3 2.237 5.468 4.933
22 1HB PRO 3 HB2 PRO 3 1.931 7.137 7.096
23 2HB PRO 3 HB3 PRO 3 1.860 7.716 5.413
24 1HG PRO 3 HG2 PRO 3 -0.458 6.928 7.202
25 2HG PRO 3 HG3 PRO 3 -0.245 8.477 6.337
26 1HD PRO 3 HD2 PRO 3 -1.716 6.442 5.303
27 2HD PRO 3 HD3 PRO 3 -0.697 7.450 4.235
28 H ILE 4 H ILE 4 1.241 3.080 5.259
29 HA ILE 4 HA ILE 4 0.143 2.203 7.597
30 HB ILE 4 HB ILE 4 1.103 0.036 7.169
31 1HG1 ILE 4 HG12 ILE 4 3.302 0.320 6.313
32 2HG1 ILE 4 HG13 ILE 4 2.328 -0.539 5.149
33 1HG2 ILE 4 HG21 ILE 4 0.007 1.330 4.648
34 2HG2 ILE 4 HG22 ILE 4 -0.065 -0.388 5.068
35 3HG2 ILE 4 HG23 ILE 4 -0.953 0.795 6.041
36 1HD1 ILE 4 HD11 ILE 4 3.263 2.353 4.928
37 2HD1 ILE 4 HD12 ILE 4 3.743 0.960 3.971
38 3HD1 ILE 4 HD13 ILE 4 2.105 1.582 3.807
39 H PHE 5 H PHE 5 3.614 2.341 7.018
40 HA PHE 5 HA PHE 5 4.103 2.313 9.998
41 1HB PHE 5 HB2 PHE 5 6.180 1.624 7.934
42 2HB PHE 5 HB3 PHE 5 6.175 1.243 9.650
43 HD1 PHE 5 HD1 PHE 5 3.455 -0.095 9.907
44 HD2 PHE 5 HD2 PHE 5 6.560 -0.455 6.934
45 HE1 PHE 5 HE1 PHE 5 2.510 -2.265 9.175
46 HE2 PHE 5 HE2 PHE 5 5.610 -2.623 6.205
47 HZ PHE 5 HZ PHE 5 3.564 -3.511 7.290
48 H THR 6 H THR 6 3.381 4.493 8.090
49 HA THR 6 HA THR 6 3.996 6.643 7.648
50 HB THR 6 HB THR 6 6.865 6.279 8.549
51 HG1 THR 6 HG1 THR 6 5.730 5.578 10.262
52 1HG2 THR 6 HG21 THR 6 4.939 8.636 8.601
53 2HG2 THR 6 HG22 THR 6 6.644 8.647 9.088
54 3HG2 THR 6 HG23 THR 6 6.217 8.373 7.388
55 H TYR 7 H TYR 7 3.995 6.716 5.433
56 HA TYR 7 HA TYR 7 5.185 4.933 3.682
57 1HB TYR 7 HB2 TYR 7 3.422 6.556 3.107
58 2HB TYR 7 HB3 TYR 7 4.568 7.886 3.250
59 HD1 TYR 7 HD1 TYR 7 5.829 8.564 1.338
60 HD2 TYR 7 HD2 TYR 7 3.844 4.734 1.345
61 HE1 TYR 7 HE1 TYR 7 6.543 8.185 -1.001
62 HE2 TYR 7 HE2 TYR 7 4.583 4.354 -0.993
63 HH TYR 7 HH TYR 7 7.185 6.192 -2.297
64 H GLY 8 H GLY 8 6.492 7.957 4.900
65 1HA GLY 8 HA2 GLY 8 8.930 8.313 3.655
66 2HA GLY 8 HA3 GLY 8 8.592 8.670 5.348
67 H GLU 9 H GLU 9 8.139 5.887 6.200
68 HA GLU 9 HA GLU 9 10.838 5.217 6.896
69 1HB GLU 9 HB2 GLU 9 8.795 4.661 8.261
70 2HB GLU 9 HB3 GLU 9 8.330 3.481 7.025
71 1HG GLU 9 HG2 GLU 9 10.543 2.307 7.416
72 2HG GLU 9 HG3 GLU 9 10.840 3.435 8.748
73 H LEU 10 H LEU 10 8.429 3.799 4.620
74 HA LEU 10 HA LEU 10 10.241 1.794 3.627
75 1HB LEU 10 HB2 LEU 10 7.762 2.988 2.328
76 2HB LEU 10 HB3 LEU 10 8.643 1.561 1.769
77 HG LEU 10 HG LEU 10 7.117 1.846 4.398
78 1HD1 LEU 10 HD11 LEU 10 5.722 1.505 2.399
79 2HD1 LEU 10 HD12 LEU 10 6.717 0.115 1.915
80 3HD1 LEU 10 HD13 LEU 10 5.743 0.031 3.391
81 1HD2 LEU 10 HD21 LEU 10 7.636 -0.616 4.664
82 2HD2 LEU 10 HD22 LEU 10 8.842 -0.455 3.373
83 3HD2 LEU 10 HD23 LEU 10 9.028 0.435 4.905
84 H GLN 11 H GLN 11 9.656 5.192 2.718
85 HA GLN 11 HA GLN 11 11.238 5.032 0.315
86 1HB GLN 11 HB2 GLN 11 11.002 7.513 2.050
87 2HB GLN 11 HB3 GLN 11 11.395 7.385 0.337
88 1HG GLN 11 HG2 GLN 11 8.722 7.164 1.685
89 2HG GLN 11 HG3 GLN 11 9.201 8.117 0.296
90 1HE2 GLN 11 HE22 GLN 11 7.916 5.068 1.408
91 2HE2 GLN 11 HE21 GLN 11 7.686 4.353 -0.190
92 H ARG 12 H ARG 12 12.085 5.850 3.714
93 HA ARG 12 HA ARG 12 14.882 6.187 3.273
94 1HB ARG 12 HB2 ARG 12 13.271 5.370 5.703
95 2HB ARG 12 HB3 ARG 12 15.028 5.596 5.754
96 1HG ARG 12 HG2 ARG 12 14.919 7.877 5.274
97 2HG ARG 12 HG3 ARG 12 13.346 7.756 4.494
98 1HD ARG 12 HD2 ARG 12 12.271 7.320 6.721
99 2HD ARG 12 HD3 ARG 12 13.858 7.461 7.484
100 HE ARG 12 HE ARG 12 13.674 9.724 7.423
101 1HH1 ARG 12 HH21 ARG 12 11.450 8.422 4.976
102 2HH1 ARG 12 HH22 ARG 12 10.826 9.994 4.537
103 1HH2 ARG 12 HH11 ARG 12 12.813 11.750 6.880
104 2HH2 ARG 12 HH12 ARG 12 11.578 11.904 5.662
105 H MET 13 H MET 13 13.011 3.202 4.069
106 HA MET 13 HA MET 13 15.248 1.440 4.021
107 1HB MET 13 HB2 MET 13 12.368 0.948 3.156
108 2HB MET 13 HB3 MET 13 13.590 -0.307 3.295
109 1HG MET 13 HG2 MET 13 12.572 1.448 5.563
110 2HG MET 13 HG3 MET 13 12.181 -0.244 5.290
111 1HE MET 13 HE1 MET 13 15.603 -1.989 6.168
112 2HE MET 13 HE2 MET 13 13.954 -2.221 5.538
113 3HE MET 13 HE3 MET 13 15.190 -1.404 4.544
114 H GLN 14 H GLN 14 13.212 2.656 1.289
115 HA GLN 14 HA GLN 14 14.661 1.245 -0.656
116 1HB GLN 14 HB2 GLN 14 12.452 2.424 -0.995
117 2HB GLN 14 HB3 GLN 14 13.330 3.952 -1.094
118 1HG GLN 14 HG2 GLN 14 12.813 3.002 -3.331
119 2HG GLN 14 HG3 GLN 14 14.546 3.221 -3.063
120 1HE2 GLN 14 HE22 GLN 14 12.236 0.593 -2.084
121 2HE2 GLN 14 HE21 GLN 14 13.264 -0.691 -2.704
122 H GLU 15 H GLU 15 15.353 4.465 0.783
123 HA GLU 15 HA GLU 15 17.647 5.033 -0.810
124 1HB GLU 15 HB2 GLU 15 17.353 5.659 2.163
125 2HB GLU 15 HB3 GLU 15 18.473 6.390 1.023
126 1HG GLU 15 HG2 GLU 15 15.441 6.683 0.984
127 2HG GLU 15 HG3 GLU 15 16.623 7.903 1.439
128 H LYS 16 H LYS 16 17.382 3.085 2.211
129 HA LYS 16 HA LYS 16 20.158 2.389 2.311
130 1HB LYS 16 HB2 LYS 16 17.802 0.737 3.304
131 2HB LYS 16 HB3 LYS 16 19.493 0.519 3.742
132 1HG LYS 16 HG2 LYS 16 17.776 2.946 4.394
133 2HG LYS 16 HG3 LYS 16 18.250 1.658 5.500
134 1HD LYS 16 HD2 LYS 16 20.670 2.278 5.109
135 2HD LYS 16 HD3 LYS 16 20.121 3.675 4.163
136 1HE LYS 16 HE2 LYS 16 19.453 3.140 7.094
137 2HE LYS 16 HE3 LYS 16 20.648 4.300 6.490
138 1HZ LYS 16 HZ1 LYS 16 18.599 5.368 7.002
139 2HZ LYS 16 HZ2 LYS 16 18.876 5.459 5.380
140 3HZ LYS 16 HZ3 LYS 16 17.761 4.398 5.968
141 H GLU 17 H GLU 17 17.411 0.695 0.746
142 HA GLU 17 HA GLU 17 18.829 -1.521 -0.280
143 1HB GLU 17 HB2 GLU 17 16.488 0.029 -1.456
144 2HB GLU 17 HB3 GLU 17 17.073 -1.500 -2.100
145 1HG GLU 17 HG2 GLU 17 16.477 -2.716 -0.141
146 2HG GLU 17 HG3 GLU 17 16.239 -1.254 0.815
147 H ARG 18 H ARG 18 18.267 1.699 -1.822
148 HA ARG 18 HA ARG 18 19.812 1.129 -4.129
149 1HB ARG 18 HB2 ARG 18 18.187 3.093 -3.666
150 2HB ARG 18 HB3 ARG 18 19.586 3.907 -2.939
151 1HG ARG 18 HG2 ARG 18 20.831 3.394 -5.156
152 2HG ARG 18 HG3 ARG 18 19.269 2.853 -5.786
153 1HD ARG 18 HD2 ARG 18 20.125 5.649 -4.983
154 2HD ARG 18 HD3 ARG 18 19.548 5.079 -6.533
155 HE ARG 18 HE ARG 18 17.322 4.965 -5.769
156 1HH1 ARG 18 HH21 ARG 18 19.470 6.297 -3.271
157 2HH1 ARG 18 HH22 ARG 18 18.186 7.101 -2.416
158 1HH2 ARG 18 HH11 ARG 18 15.638 5.880 -4.556
159 2HH2 ARG 18 HH12 ARG 18 15.965 6.729 -3.066
160 H ASN 19 H ASN 19 20.748 2.607 -0.992
161 HA ASN 19 HA ASN 19 23.436 3.187 -1.631
162 1HB ASN 19 HB2 ASN 19 22.099 3.858 0.433
163 2HB ASN 19 HB3 ASN 19 22.450 2.260 1.096
164 1HD2 ASN 19 HD22 ASN 19 25.350 2.353 -0.159
165 2HD2 ASN 19 HD21 ASN 19 26.138 3.477 0.928
166 H LYS 20 H LYS 20 21.932 0.172 -0.402
167 HA LYS 20 HA LYS 20 24.383 -1.277 -0.129
168 1HB LYS 20 HB2 LYS 20 22.298 -1.882 1.040
169 2HB LYS 20 HB3 LYS 20 21.513 -2.231 -0.496
170 1HG LYS 20 HG2 LYS 20 22.195 -4.289 0.632
171 2HG LYS 20 HG3 LYS 20 22.980 -4.113 -0.929
172 1HD LYS 20 HD2 LYS 20 24.522 -4.986 0.781
173 2HD LYS 20 HD3 LYS 20 25.093 -3.467 0.106
174 1HE LYS 20 HE2 LYS 20 25.417 -3.571 2.553
175 2HE LYS 20 HE3 LYS 20 24.334 -2.245 2.123
176 1HZ LYS 20 HZ1 LYS 20 22.488 -3.639 2.717
177 2HZ LYS 20 HZ2 LYS 20 23.495 -4.888 3.097
178 3HZ LYS 20 HZ3 LYS 20 23.533 -3.499 3.983
179 H GLY 21 H GLY 21 21.919 -1.139 -2.734
180 1HA GLY 21 HA2 GLY 21 23.650 -2.711 -4.582
181 2HA GLY 21 HA3 GLY 21 21.955 -2.258 -4.800
182 H GLN 22 H GLN 22 24.858 -0.327 -3.987
183 HA GLN 22 HA GLN 22 24.042 1.863 -5.599
184 1HB GLN 22 HB2 GLN 22 26.082 2.921 -5.076
185 2HB GLN 22 HB3 GLN 22 25.527 2.079 -3.638
186 1HG GLN 22 HG2 GLN 22 27.790 1.249 -5.524
187 2HG GLN 22 HG3 GLN 22 27.957 1.898 -3.894
188 1HE2 GLN 22 HE22 GLN 22 26.215 0.448 -2.319
189 2HE2 GLN 22 HE21 GLN 22 26.489 -1.268 -2.509
Start of MODEL 20
1 1H PHE 1 H1 PHE 1 -5.086 5.480 0.663
2 2H PHE 1 H2 PHE 1 -4.472 6.718 -0.244
3 3H PHE 1 H3 PHE 1 -5.156 7.018 1.233
4 HA PHE 1 HA PHE 1 -2.743 5.439 0.808
5 1HB PHE 1 HB2 PHE 1 -2.310 7.782 0.304
6 2HB PHE 1 HB3 PHE 1 -3.114 8.291 1.785
7 HD1 PHE 1 HD1 PHE 1 -1.901 8.468 3.839
8 HD2 PHE 1 HD2 PHE 1 -0.166 6.342 0.510
9 HE1 PHE 1 HE1 PHE 1 0.250 8.306 5.059
10 HE2 PHE 1 HE2 PHE 1 1.976 6.163 1.747
11 HZ PHE 1 HZ PHE 1 2.194 7.164 4.012
12 H VAL 2 H VAL 2 -1.744 4.683 2.729
13 HA VAL 2 HA VAL 2 -3.038 5.189 5.300
14 HB VAL 2 HB VAL 2 -2.733 2.753 5.902
15 1HG1 VAL 2 HG11 VAL 2 -4.884 2.047 5.010
16 2HG1 VAL 2 HG12 VAL 2 -4.957 3.758 5.466
17 3HG1 VAL 2 HG13 VAL 2 -4.823 3.299 3.756
18 1HG2 VAL 2 HG21 VAL 2 -1.309 2.035 3.996
19 2HG2 VAL 2 HG22 VAL 2 -2.775 1.061 4.140
20 3HG2 VAL 2 HG23 VAL 2 -2.665 2.301 2.881
21 HA PRO 3 HA PRO 3 1.253 5.814 5.933
22 1HB PRO 3 HB2 PRO 3 1.462 6.100 8.632
23 2HB PRO 3 HB3 PRO 3 0.439 7.176 7.647
24 1HG PRO 3 HG2 PRO 3 -0.452 4.688 9.141
25 2HG PRO 3 HG3 PRO 3 -1.127 6.339 9.285
26 1HD PRO 3 HD2 PRO 3 -2.245 4.500 7.617
27 2HD PRO 3 HD3 PRO 3 -2.114 6.219 7.137
28 H ILE 4 H ILE 4 1.002 3.219 5.182
29 HA ILE 4 HA ILE 4 1.553 1.159 6.911
30 HB ILE 4 HB ILE 4 3.075 0.381 4.735
31 1HG1 ILE 4 HG12 ILE 4 1.995 1.039 2.701
32 2HG1 ILE 4 HG13 ILE 4 0.928 2.163 3.525
33 1HG2 ILE 4 HG21 ILE 4 0.057 0.314 5.034
34 2HG2 ILE 4 HG22 ILE 4 1.223 -0.837 5.720
35 3HG2 ILE 4 HG23 ILE 4 1.020 -0.730 3.966
36 1HD1 ILE 4 HD11 ILE 4 2.780 3.210 2.244
37 2HD1 ILE 4 HD12 ILE 4 2.777 3.697 3.932
38 3HD1 ILE 4 HD13 ILE 4 3.951 2.477 3.353
39 H PHE 5 H PHE 5 4.010 3.093 5.335
40 HA PHE 5 HA PHE 5 5.858 2.618 7.635
41 1HB PHE 5 HB2 PHE 5 6.673 2.892 4.728
42 2HB PHE 5 HB3 PHE 5 7.746 2.583 6.079
43 HD1 PHE 5 HD1 PHE 5 5.940 1.035 3.432
44 HD2 PHE 5 HD2 PHE 5 7.201 0.407 7.512
45 HE1 PHE 5 HE1 PHE 5 5.674 -1.407 3.142
46 HE2 PHE 5 HE2 PHE 5 6.936 -2.037 7.210
47 HZ PHE 5 HZ PHE 5 6.175 -2.951 5.026
48 H THR 6 H THR 6 3.791 4.512 7.220
49 HA THR 6 HA THR 6 3.220 6.676 6.891
50 HB THR 6 HB THR 6 5.870 7.310 8.228
51 HG1 THR 6 HG1 THR 6 4.888 5.487 9.219
52 1HG2 THR 6 HG21 THR 6 3.031 8.413 8.533
53 2HG2 THR 6 HG22 THR 6 4.398 9.282 7.807
54 3HG2 THR 6 HG23 THR 6 4.424 8.879 9.527
55 H TYR 7 H TYR 7 4.725 5.554 4.663
56 HA TYR 7 HA TYR 7 5.619 5.991 2.688
57 1HB TYR 7 HB2 TYR 7 4.006 7.794 2.425
58 2HB TYR 7 HB3 TYR 7 5.063 8.925 3.260
59 HD1 TYR 7 HD1 TYR 7 5.002 6.598 0.303
60 HD2 TYR 7 HD2 TYR 7 6.582 10.227 2.011
61 HE1 TYR 7 HE1 TYR 7 6.161 7.091 -1.825
62 HE2 TYR 7 HE2 TYR 7 7.692 10.751 -0.145
63 HH TYR 7 HH TYR 7 7.496 8.575 -2.974
64 H GLY 8 H GLY 8 6.760 8.490 4.890
65 1HA GLY 8 HA2 GLY 8 9.312 8.999 3.983
66 2HA GLY 8 HA3 GLY 8 8.842 9.059 5.690
67 H GLU 9 H GLU 9 8.369 6.258 6.213
68 HA GLU 9 HA GLU 9 11.180 5.502 6.480
69 1HB GLU 9 HB2 GLU 9 8.699 4.011 7.379
70 2HB GLU 9 HB3 GLU 9 10.375 3.621 7.754
71 1HG GLU 9 HG2 GLU 9 10.597 5.896 8.828
72 2HG GLU 9 HG3 GLU 9 8.873 6.168 8.532
73 H LEU 10 H LEU 10 8.571 4.816 4.241
74 HA LEU 10 HA LEU 10 9.714 2.400 3.105
75 1HB LEU 10 HB2 LEU 10 7.305 3.597 2.776
76 2HB LEU 10 HB3 LEU 10 8.131 4.343 1.421
77 HG LEU 10 HG LEU 10 7.862 1.346 1.928
78 1HD1 LEU 10 HD11 LEU 10 6.297 1.410 0.031
79 2HD1 LEU 10 HD12 LEU 10 5.737 2.484 1.324
80 3HD1 LEU 10 HD13 LEU 10 6.518 3.166 -0.118
81 1HD2 LEU 10 HD21 LEU 10 9.106 2.872 -0.403
82 2HD2 LEU 10 HD22 LEU 10 9.902 1.693 0.669
83 3HD2 LEU 10 HD23 LEU 10 8.658 1.154 -0.455
84 H GLN 11 H GLN 11 9.774 5.924 2.408
85 HA GLN 11 HA GLN 11 11.623 5.832 0.286
86 1HB GLN 11 HB2 GLN 11 10.229 7.857 1.341
87 2HB GLN 11 HB3 GLN 11 11.713 8.116 2.264
88 1HG GLN 11 HG2 GLN 11 12.209 9.407 0.428
89 2HG GLN 11 HG3 GLN 11 12.849 7.877 -0.171
90 1HE2 GLN 11 HE22 GLN 11 10.243 10.248 -0.399
91 2HE2 GLN 11 HE21 GLN 11 9.439 9.546 -1.795
92 H ARG 12 H ARG 12 12.240 6.215 3.812
93 HA ARG 12 HA ARG 12 15.035 6.308 3.728
94 1HB ARG 12 HB2 ARG 12 13.601 6.663 5.736
95 2HB ARG 12 HB3 ARG 12 13.318 4.914 5.811
96 1HG ARG 12 HG2 ARG 12 15.781 4.550 6.069
97 2HG ARG 12 HG3 ARG 12 16.021 6.306 6.027
98 1HD ARG 12 HD2 ARG 12 15.976 5.543 8.361
99 2HD ARG 12 HD3 ARG 12 14.551 6.537 8.012
100 HE ARG 12 HE ARG 12 14.281 3.607 7.688
101 1HH1 ARG 12 HH11 ARG 12 13.725 6.353 9.880
102 2HH1 ARG 12 HH12 ARG 12 12.419 5.553 10.719
103 1HH2 ARG 12 HH21 ARG 12 12.636 2.569 8.868
104 2HH2 ARG 12 HH22 ARG 12 11.767 3.443 10.112
105 H MET 13 H MET 13 12.953 3.359 4.031
106 HA MET 13 HA MET 13 15.046 1.473 4.002
107 1HB MET 13 HB2 MET 13 12.742 0.968 4.629
108 2HB MET 13 HB3 MET 13 12.175 1.229 2.975
109 1HG MET 13 HG2 MET 13 14.278 -0.853 3.657
110 2HG MET 13 HG3 MET 13 12.546 -1.183 3.774
111 1HE MET 13 HE1 MET 13 14.683 -2.874 2.072
112 2HE MET 13 HE2 MET 13 12.966 -3.317 2.253
113 3HE MET 13 HE3 MET 13 13.699 -3.227 0.634
114 H GLN 14 H GLN 14 13.167 2.827 1.272
115 HA GLN 14 HA GLN 14 14.404 1.456 -0.847
116 1HB GLN 14 HB2 GLN 14 12.351 2.876 -0.935
117 2HB GLN 14 HB3 GLN 14 13.365 4.303 -0.716
118 1HG GLN 14 HG2 GLN 14 14.557 3.487 -2.914
119 2HG GLN 14 HG3 GLN 14 13.069 2.562 -3.156
120 1HE2 GLN 14 HE22 GLN 14 11.206 4.395 -1.975
121 2HE2 GLN 14 HE21 GLN 14 11.273 5.948 -2.780
122 H GLU 15 H GLU 15 15.336 4.580 0.702
123 HA GLU 15 HA GLU 15 17.576 5.131 -0.966
124 1HB GLU 15 HB2 GLU 15 16.869 5.954 1.875
125 2HB GLU 15 HB3 GLU 15 18.291 6.564 1.019
126 1HG GLU 15 HG2 GLU 15 16.979 7.630 -0.666
127 2HG GLU 15 HG3 GLU 15 15.500 6.805 -0.178
128 H LYS 16 H LYS 16 17.359 3.413 2.204
129 HA LYS 16 HA LYS 16 20.150 2.808 2.395
130 1HB LYS 16 HB2 LYS 16 17.687 1.388 3.472
131 2HB LYS 16 HB3 LYS 16 19.349 0.894 3.837
132 1HG LYS 16 HG2 LYS 16 19.855 3.084 4.789
133 2HG LYS 16 HG3 LYS 16 18.231 3.678 4.399
134 1HD LYS 16 HD2 LYS 16 17.206 2.008 5.866
135 2HD LYS 16 HD3 LYS 16 18.783 1.294 6.235
136 1HE LYS 16 HE2 LYS 16 17.984 4.174 6.892
137 2HE LYS 16 HE3 LYS 16 17.918 2.821 8.031
138 1HZ LYS 16 HZ1 LYS 16 19.911 4.061 8.288
139 2HZ LYS 16 HZ2 LYS 16 20.277 2.550 7.746
140 3HZ LYS 16 HZ3 LYS 16 20.338 3.834 6.715
141 H GLU 17 H GLU 17 17.432 1.028 0.880
142 HA GLU 17 HA GLU 17 18.914 -1.223 0.089
143 1HB GLU 17 HB2 GLU 17 16.393 -0.943 0.127
144 2HB GLU 17 HB3 GLU 17 16.529 -0.020 -1.369
145 1HG GLU 17 HG2 GLU 17 15.954 -2.311 -1.915
146 2HG GLU 17 HG3 GLU 17 17.634 -2.069 -2.421
147 H ARG 18 H ARG 18 18.298 1.854 -1.706
148 HA ARG 18 HA ARG 18 19.873 1.231 -4.006
149 1HB ARG 18 HB2 ARG 18 19.017 3.805 -2.650
150 2HB ARG 18 HB3 ARG 18 20.361 3.849 -3.778
151 1HG ARG 18 HG2 ARG 18 18.649 4.401 -5.132
152 2HG ARG 18 HG3 ARG 18 18.870 2.693 -5.500
153 1HD ARG 18 HD2 ARG 18 16.790 3.891 -3.604
154 2HD ARG 18 HD3 ARG 18 16.450 3.472 -5.276
155 HE ARG 18 HE ARG 18 16.604 1.722 -2.982
156 1HH1 ARG 18 HH21 ARG 18 17.103 1.810 -6.478
157 2HH1 ARG 18 HH22 ARG 18 16.751 0.123 -6.736
158 1HH2 ARG 18 HH11 ARG 18 16.100 -0.506 -3.310
159 2HH2 ARG 18 HH12 ARG 18 16.193 -1.219 -4.897
160 H ASN 19 H ASN 19 20.776 2.877 -0.954
161 HA ASN 19 HA ASN 19 23.440 3.414 -1.551
162 1HB ASN 19 HB2 ASN 19 22.357 4.395 0.379
163 2HB ASN 19 HB3 ASN 19 22.123 2.806 1.116
164 1HD2 ASN 19 HD22 ASN 19 24.841 4.852 -0.150
165 2HD2 ASN 19 HD21 ASN 19 25.943 4.368 1.124
166 H LYS 20 H LYS 20 22.122 0.421 -0.057
167 HA LYS 20 HA LYS 20 24.796 -0.800 0.046
168 1HB LYS 20 HB2 LYS 20 22.058 -2.061 0.431
169 2HB LYS 20 HB3 LYS 20 23.621 -2.779 0.841
170 1HG LYS 20 HG2 LYS 20 22.355 -0.319 2.119
171 2HG LYS 20 HG3 LYS 20 22.521 -1.920 2.837
172 1HD LYS 20 HD2 LYS 20 25.019 -1.681 2.725
173 2HD LYS 20 HD3 LYS 20 24.818 -0.027 2.112
174 1HE LYS 20 HE2 LYS 20 23.797 -1.015 4.807
175 2HE LYS 20 HE3 LYS 20 25.260 -0.056 4.529
176 1HZ LYS 20 HZ1 LYS 20 23.877 1.661 3.578
177 2HZ LYS 20 HZ2 LYS 20 22.519 0.796 3.931
178 3HZ LYS 20 HZ3 LYS 20 23.479 1.348 5.151
179 H GLY 21 H GLY 21 21.891 -1.148 -2.018
180 1HA GLY 21 HA2 GLY 21 22.695 -3.352 -3.533
181 2HA GLY 21 HA3 GLY 21 21.577 -2.082 -4.058
182 H GLN 22 H GLN 22 23.216 0.142 -4.188
183 HA GLN 22 HA GLN 22 24.573 1.252 -5.631
184 1HB GLN 22 HB2 GLN 22 26.366 -1.168 -5.168
185 2HB GLN 22 HB3 GLN 22 26.900 0.382 -5.835
186 1HG GLN 22 HG2 GLN 22 26.456 1.552 -3.801
187 2HG GLN 22 HG3 GLN 22 25.543 0.202 -3.127
188 1HE2 GLN 22 HE22 GLN 22 26.609 -1.703 -2.390
189 2HE2 GLN 22 HE21 GLN 22 28.335 -1.663 -2.030
Start of MODEL 21
1 1H PHE 1 H1 PHE 1 -0.875 10.033 1.683
2 2H PHE 1 H2 PHE 1 -2.272 9.554 0.966
3 3H PHE 1 H3 PHE 1 -0.896 9.705 0.061
4 HA PHE 1 HA PHE 1 -1.413 7.416 0.519
5 1HB PHE 1 HB2 PHE 1 0.805 6.781 1.500
6 2HB PHE 1 HB3 PHE 1 0.883 7.884 0.136
7 HD1 PHE 1 HD1 PHE 1 1.018 7.794 3.902
8 HD2 PHE 1 HD2 PHE 1 2.067 9.935 0.304
9 HE1 PHE 1 HE1 PHE 1 2.272 9.446 5.247
10 HE2 PHE 1 HE2 PHE 1 3.376 11.546 1.654
11 HZ PHE 1 HZ PHE 1 3.468 11.316 4.128
12 H VAL 2 H VAL 2 -1.544 5.696 2.079
13 HA VAL 2 HA VAL 2 -2.629 6.496 4.702
14 HB VAL 2 HB VAL 2 -2.298 3.779 3.370
15 1HG1 VAL 2 HG11 VAL 2 -3.782 4.540 5.928
16 2HG1 VAL 2 HG12 VAL 2 -3.772 2.942 5.160
17 3HG1 VAL 2 HG13 VAL 2 -2.282 3.587 5.855
18 1HG2 VAL 2 HG21 VAL 2 -4.769 3.877 3.150
19 2HG2 VAL 2 HG22 VAL 2 -4.758 5.535 3.785
20 3HG2 VAL 2 HG23 VAL 2 -3.988 5.165 2.227
21 HA PRO 3 HA PRO 3 1.641 5.910 6.113
22 1HB PRO 3 HB2 PRO 3 1.389 6.433 8.776
23 2HB PRO 3 HB3 PRO 3 1.113 7.684 7.535
24 1HG PRO 3 HG2 PRO 3 -0.976 5.952 8.890
25 2HG PRO 3 HG3 PRO 3 -0.953 7.736 8.775
26 1HD PRO 3 HD2 PRO 3 -2.353 6.204 7.013
27 2HD PRO 3 HD3 PRO 3 -1.497 7.677 6.465
28 H ILE 4 H ILE 4 0.708 3.556 5.363
29 HA ILE 4 HA ILE 4 -0.239 1.717 7.146
30 HB ILE 4 HB ILE 4 0.629 -0.009 5.742
31 1HG1 ILE 4 HG12 ILE 4 2.777 0.604 4.944
32 2HG1 ILE 4 HG13 ILE 4 1.706 0.346 3.593
33 1HG2 ILE 4 HG21 ILE 4 -1.472 1.125 5.200
34 2HG2 ILE 4 HG22 ILE 4 -0.611 2.278 4.164
35 3HG2 ILE 4 HG23 ILE 4 -0.669 0.562 3.726
36 1HD1 ILE 4 HD11 ILE 4 2.676 3.057 4.589
37 2HD1 ILE 4 HD12 ILE 4 3.122 2.215 3.112
38 3HD1 ILE 4 HD13 ILE 4 1.474 2.816 3.292
39 H PHE 5 H PHE 5 3.172 2.131 6.397
40 HA PHE 5 HA PHE 5 3.903 0.985 9.079
41 1HB PHE 5 HB2 PHE 5 5.707 0.972 6.650
42 2HB PHE 5 HB3 PHE 5 5.914 0.101 8.160
43 HD1 PHE 5 HD1 PHE 5 3.287 -1.282 8.493
44 HD2 PHE 5 HD2 PHE 5 5.667 -0.629 4.954
45 HE1 PHE 5 HE1 PHE 5 2.169 -3.190 7.383
46 HE2 PHE 5 HE2 PHE 5 4.547 -2.545 3.851
47 HZ PHE 5 HZ PHE 5 2.786 -3.818 5.053
48 H THR 6 H THR 6 3.024 3.621 8.412
49 HA THR 6 HA THR 6 3.634 5.821 8.435
50 HB THR 6 HB THR 6 6.272 4.976 9.703
51 HG1 THR 6 HG1 THR 6 4.439 4.122 10.779
52 1HG2 THR 6 HG21 THR 6 6.103 7.176 10.794
53 2HG2 THR 6 HG22 THR 6 6.162 7.370 9.034
54 3HG2 THR 6 HG23 THR 6 4.613 7.531 9.898
55 H TYR 7 H TYR 7 3.555 5.149 6.193
56 HA TYR 7 HA TYR 7 4.691 4.487 4.142
57 1HB TYR 7 HB2 TYR 7 2.932 6.085 3.998
58 2HB TYR 7 HB3 TYR 7 3.972 7.385 4.576
59 HD1 TYR 7 HD1 TYR 7 3.369 5.073 1.695
60 HD2 TYR 7 HD2 TYR 7 5.284 8.690 3.060
61 HE1 TYR 7 HE1 TYR 7 4.108 5.570 -0.624
62 HE2 TYR 7 HE2 TYR 7 6.008 9.179 0.754
63 HH TYR 7 HH TYR 7 6.396 8.185 -1.336
64 H GLY 8 H GLY 8 6.182 7.408 5.441
65 1HA GLY 8 HA2 GLY 8 8.323 7.857 3.734
66 2HA GLY 8 HA3 GLY 8 8.365 8.147 5.481
67 H GLU 9 H GLU 9 8.144 5.436 6.384
68 HA GLU 9 HA GLU 9 10.821 4.595 6.436
69 1HB GLU 9 HB2 GLU 9 8.261 3.002 6.873
70 2HB GLU 9 HB3 GLU 9 9.893 2.401 7.201
71 1HG GLU 9 HG2 GLU 9 10.282 4.286 8.781
72 2HG GLU 9 HG3 GLU 9 8.629 4.856 8.501
73 H LEU 10 H LEU 10 8.282 3.714 4.050
74 HA LEU 10 HA LEU 10 9.843 1.596 2.825
75 1HB LEU 10 HB2 LEU 10 7.590 3.341 1.748
76 2HB LEU 10 HB3 LEU 10 8.277 1.962 0.894
77 HG LEU 10 HG LEU 10 6.926 1.753 3.626
78 1HD1 LEU 10 HD11 LEU 10 5.863 1.128 0.837
79 2HD1 LEU 10 HD12 LEU 10 5.029 0.797 2.370
80 3HD1 LEU 10 HD13 LEU 10 5.342 2.472 1.876
81 1HD2 LEU 10 HD21 LEU 10 7.915 -0.318 1.603
82 2HD2 LEU 10 HD22 LEU 10 8.467 -0.110 3.282
83 3HD2 LEU 10 HD23 LEU 10 6.837 -0.702 2.951
84 H GLN 11 H GLN 11 9.654 5.125 2.422
85 HA GLN 11 HA GLN 11 11.239 5.162 -0.030
86 1HB GLN 11 HB2 GLN 11 10.776 7.407 1.966
87 2HB GLN 11 HB3 GLN 11 11.387 7.532 0.308
88 1HG GLN 11 HG2 GLN 11 9.197 6.465 -0.472
89 2HG GLN 11 HG3 GLN 11 8.583 6.676 1.174
90 1HE2 GLN 11 HE22 GLN 11 9.964 9.298 1.588
91 2HE2 GLN 11 HE21 GLN 11 9.059 10.430 0.599
92 H ARG 12 H ARG 12 11.825 5.643 3.473
93 HA ARG 12 HA ARG 12 14.597 6.012 3.319
94 1HB ARG 12 HB2 ARG 12 12.867 6.016 5.407
95 2HB ARG 12 HB3 ARG 12 13.483 4.378 5.593
96 1HG ARG 12 HG2 ARG 12 15.069 5.490 6.843
97 2HG ARG 12 HG3 ARG 12 15.852 5.596 5.264
98 1HD ARG 12 HD2 ARG 12 14.383 7.727 6.841
99 2HD ARG 12 HD3 ARG 12 15.994 7.777 6.161
100 HE ARG 12 HE ARG 12 15.151 8.143 3.974
101 1HH1 ARG 12 HH21 ARG 12 12.575 8.308 6.433
102 2HH1 ARG 12 HH22 ARG 12 11.483 9.165 5.388
103 1HH2 ARG 12 HH11 ARG 12 13.644 9.112 2.595
104 2HH2 ARG 12 HH12 ARG 12 12.128 9.702 3.223
105 H MET 13 H MET 13 12.792 2.928 3.640
106 HA MET 13 HA MET 13 14.971 1.172 3.674
107 1HB MET 13 HB2 MET 13 12.604 0.538 4.079
108 2HB MET 13 HB3 MET 13 12.245 0.787 2.363
109 1HG MET 13 HG2 MET 13 13.850 -1.029 1.777
110 2HG MET 13 HG3 MET 13 14.239 -1.216 3.491
111 1HE MET 13 HE1 MET 13 10.208 -2.427 1.577
112 2HE MET 13 HE2 MET 13 10.626 -0.720 1.819
113 3HE MET 13 HE3 MET 13 11.566 -1.714 0.678
114 H GLN 14 H GLN 14 13.124 2.382 0.809
115 HA GLN 14 HA GLN 14 14.757 1.135 -1.144
116 1HB GLN 14 HB2 GLN 14 13.073 3.655 -1.200
117 2HB GLN 14 HB3 GLN 14 13.916 3.047 -2.633
118 1HG GLN 14 HG2 GLN 14 12.716 0.994 -2.649
119 2HG GLN 14 HG3 GLN 14 12.074 1.238 -1.021
120 1HE2 GLN 14 HE22 GLN 14 10.582 3.029 -0.670
121 2HE2 GLN 14 HE21 GLN 14 9.497 3.504 -1.986
122 H GLU 15 H GLU 15 15.170 4.361 0.416
123 HA GLU 15 HA GLU 15 17.476 5.150 -1.051
124 1HB GLU 15 HB2 GLU 15 16.640 5.739 1.810
125 2HB GLU 15 HB3 GLU 15 17.976 6.544 0.992
126 1HG GLU 15 HG2 GLU 15 16.580 7.671 -0.522
127 2HG GLU 15 HG3 GLU 15 15.236 6.552 -0.305
128 H LYS 16 H LYS 16 17.234 3.307 2.050
129 HA LYS 16 HA LYS 16 20.056 2.983 2.371
130 1HB LYS 16 HB2 LYS 16 17.745 1.256 3.340
131 2HB LYS 16 HB3 LYS 16 19.420 1.066 3.866
132 1HG LYS 16 HG2 LYS 16 17.778 3.612 4.259
133 2HG LYS 16 HG3 LYS 16 17.973 2.329 5.456
134 1HD LYS 16 HD2 LYS 16 20.451 2.713 5.424
135 2HD LYS 16 HD3 LYS 16 20.201 4.069 4.303
136 1HE LYS 16 HE2 LYS 16 18.738 5.187 5.970
137 2HE LYS 16 HE3 LYS 16 19.023 3.855 7.107
138 1HZ LYS 16 HZ1 LYS 16 21.347 4.403 7.065
139 2HZ LYS 16 HZ2 LYS 16 21.078 5.643 6.012
140 3HZ LYS 16 HZ3 LYS 16 20.450 5.703 7.532
141 H GLU 17 H GLU 17 17.633 0.804 0.838
142 HA GLU 17 HA GLU 17 19.485 -1.219 0.108
143 1HB GLU 17 HB2 GLU 17 16.882 -0.325 -1.206
144 2HB GLU 17 HB3 GLU 17 17.777 -1.777 -1.671
145 1HG GLU 17 HG2 GLU 17 16.667 -1.271 1.132
146 2HG GLU 17 HG3 GLU 17 15.905 -2.270 -0.109
147 H ARG 18 H ARG 18 18.439 1.693 -1.719
148 HA ARG 18 HA ARG 18 20.005 1.228 -4.016
149 1HB ARG 18 HB2 ARG 18 18.205 2.862 -3.883
150 2HB ARG 18 HB3 ARG 18 19.092 3.817 -2.699
151 1HG ARG 18 HG2 ARG 18 19.057 4.830 -4.918
152 2HG ARG 18 HG3 ARG 18 20.701 4.532 -4.357
153 1HD ARG 18 HD2 ARG 18 19.225 2.630 -6.236
154 2HD ARG 18 HD3 ARG 18 20.196 4.002 -6.818
155 HE ARG 18 HE ARG 18 21.897 2.784 -5.085
156 1HH1 ARG 18 HH21 ARG 18 20.278 1.520 -7.969
157 2HH1 ARG 18 HH22 ARG 18 21.234 0.057 -7.973
158 1HH2 ARG 18 HH11 ARG 18 22.906 0.975 -4.966
159 2HH2 ARG 18 HH12 ARG 18 22.882 -0.275 -6.189
160 H ASN 19 H ASN 19 20.797 3.067 -1.020
161 HA ASN 19 HA ASN 19 23.437 3.786 -1.747
162 1HB ASN 19 HB2 ASN 19 22.269 3.208 1.008
163 2HB ASN 19 HB3 ASN 19 23.845 3.954 0.717
164 1HD2 ASN 19 HD22 ASN 19 21.962 5.294 2.256
165 2HD2 ASN 19 HD21 ASN 19 21.404 6.690 1.346
166 H LYS 20 H LYS 20 22.283 0.843 -0.047
167 HA LYS 20 HA LYS 20 24.963 -0.168 0.361
168 1HB LYS 20 HB2 LYS 20 22.212 -1.437 0.607
169 2HB LYS 20 HB3 LYS 20 23.707 -2.242 1.090
170 1HG LYS 20 HG2 LYS 20 22.782 0.422 2.264
171 2HG LYS 20 HG3 LYS 20 22.405 -1.162 2.950
172 1HD LYS 20 HD2 LYS 20 24.859 -1.641 3.146
173 2HD LYS 20 HD3 LYS 20 25.204 0.004 2.572
174 1HE LYS 20 HE2 LYS 20 23.929 0.945 4.484
175 2HE LYS 20 HE3 LYS 20 23.601 -0.698 5.072
176 1HZ LYS 20 HZ1 LYS 20 25.953 -1.016 5.310
177 2HZ LYS 20 HZ2 LYS 20 26.259 0.510 4.766
178 3HZ LYS 20 HZ3 LYS 20 25.452 0.286 6.185
179 H GLY 21 H GLY 21 22.416 -0.917 -2.039
180 1HA GLY 21 HA2 GLY 21 23.696 -3.319 -2.971
181 2HA GLY 21 HA3 GLY 21 22.305 -2.490 -3.677
182 H GLN 22 H GLN 22 25.796 -1.739 -3.246
183 HA GLN 22 HA GLN 22 26.128 -1.408 -6.171
184 1HB GLN 22 HB2 GLN 22 25.624 0.835 -5.308
185 2HB GLN 22 HB3 GLN 22 26.831 0.649 -4.032
186 1HG GLN 22 HG2 GLN 22 27.647 2.090 -5.812
187 2HG GLN 22 HG3 GLN 22 28.649 0.647 -5.707
188 1HE2 GLN 22 HE22 GLN 22 28.283 -1.078 -7.381
189 2HE2 GLN 22 HE21 GLN 22 27.672 -0.566 -8.953
Start of MODEL 22
1 1H PHE 1 H1 PHE 1 1.317 7.673 -1.864
2 2H PHE 1 H2 PHE 1 -0.174 7.893 -1.189
3 3H PHE 1 H3 PHE 1 0.448 6.377 -1.327
4 HA PHE 1 HA PHE 1 2.182 6.877 0.195
5 1HB PHE 1 HB2 PHE 1 2.259 9.285 -0.429
6 2HB PHE 1 HB3 PHE 1 0.791 9.556 0.501
7 HD1 PHE 1 HD1 PHE 1 0.842 9.166 3.041
8 HD2 PHE 1 HD2 PHE 1 4.402 9.270 0.601
9 HE1 PHE 1 HE1 PHE 1 2.198 9.691 5.036
10 HE2 PHE 1 HE2 PHE 1 5.744 9.849 2.597
11 HZ PHE 1 HZ PHE 1 4.644 10.109 4.807
12 H VAL 2 H VAL 2 1.433 5.339 1.546
13 HA VAL 2 HA VAL 2 -1.341 5.501 2.535
14 HB VAL 2 HB VAL 2 0.592 3.168 2.527
15 1HG1 VAL 2 HG11 VAL 2 -2.438 3.284 2.914
16 2HG1 VAL 2 HG12 VAL 2 -1.437 1.821 2.892
17 3HG1 VAL 2 HG13 VAL 2 -1.263 2.989 4.209
18 1HG2 VAL 2 HG21 VAL 2 0.104 3.821 0.213
19 2HG2 VAL 2 HG22 VAL 2 -0.795 2.358 0.618
20 3HG2 VAL 2 HG23 VAL 2 -1.632 3.923 0.581
21 HA PRO 3 HA PRO 3 0.485 6.240 6.655
22 1HB PRO 3 HB2 PRO 3 -1.758 6.609 8.115
23 2HB PRO 3 HB3 PRO 3 -1.281 7.777 6.855
24 1HG PRO 3 HG2 PRO 3 -3.263 5.498 6.577
25 2HG PRO 3 HG3 PRO 3 -3.518 7.218 6.161
26 1HD PRO 3 HD2 PRO 3 -2.762 5.345 4.313
27 2HD PRO 3 HD3 PRO 3 -2.177 7.034 4.221
28 H ILE 4 H ILE 4 0.961 3.812 5.897
29 HA ILE 4 HA ILE 4 -0.348 1.818 7.626
30 HB ILE 4 HB ILE 4 1.912 0.558 6.928
31 1HG1 ILE 4 HG12 ILE 4 1.541 2.217 4.424
32 2HG1 ILE 4 HG13 ILE 4 2.672 2.789 5.646
33 1HG2 ILE 4 HG21 ILE 4 -0.329 -0.202 6.426
34 2HG2 ILE 4 HG22 ILE 4 -0.477 0.970 5.106
35 3HG2 ILE 4 HG23 ILE 4 0.688 -0.364 4.991
36 1HD1 ILE 4 HD11 ILE 4 2.832 0.091 4.273
37 2HD1 ILE 4 HD12 ILE 4 3.858 1.516 4.011
38 3HD1 ILE 4 HD13 ILE 4 3.906 0.671 5.570
39 H PHE 5 H PHE 5 3.073 2.602 7.457
40 HA PHE 5 HA PHE 5 3.148 3.240 10.381
41 1HB PHE 5 HB2 PHE 5 5.568 2.460 8.779
42 2HB PHE 5 HB3 PHE 5 5.291 2.290 10.503
43 HD1 PHE 5 HD1 PHE 5 2.901 0.656 10.769
44 HD2 PHE 5 HD2 PHE 5 5.994 0.420 7.765
45 HE1 PHE 5 HE1 PHE 5 2.200 -1.657 10.216
46 HE2 PHE 5 HE2 PHE 5 5.279 -1.883 7.213
47 HZ PHE 5 HZ PHE 5 3.371 -2.919 8.416
48 H THR 6 H THR 6 2.361 4.811 7.994
49 HA THR 6 HA THR 6 2.714 6.791 6.949
50 HB THR 6 HB THR 6 5.268 7.218 8.567
51 HG1 THR 6 HG1 THR 6 3.519 6.932 9.950
52 1HG2 THR 6 HG21 THR 6 3.383 9.123 7.135
53 2HG2 THR 6 HG22 THR 6 4.779 9.577 8.131
54 3HG2 THR 6 HG23 THR 6 5.034 8.679 6.625
55 H TYR 7 H TYR 7 3.019 5.872 4.900
56 HA TYR 7 HA TYR 7 4.987 4.223 4.071
57 1HB TYR 7 HB2 TYR 7 3.032 4.740 2.763
58 2HB TYR 7 HB3 TYR 7 3.601 6.388 2.459
59 HD1 TYR 7 HD1 TYR 7 4.717 2.808 2.079
60 HD2 TYR 7 HD2 TYR 7 4.639 6.753 0.350
61 HE1 TYR 7 HE1 TYR 7 6.251 2.052 0.287
62 HE2 TYR 7 HE2 TYR 7 6.000 5.943 -1.547
63 HH TYR 7 HH TYR 7 7.747 2.835 -1.269
64 H GLY 8 H GLY 8 5.453 7.680 4.450
65 1HA GLY 8 HA2 GLY 8 7.831 8.263 3.164
66 2HA GLY 8 HA3 GLY 8 7.410 8.823 4.788
67 H GLU 9 H GLU 9 7.401 6.289 6.128
68 HA GLU 9 HA GLU 9 10.112 5.905 6.858
69 1HB GLU 9 HB2 GLU 9 8.087 5.300 8.216
70 2HB GLU 9 HB3 GLU 9 7.738 3.995 7.078
71 1HG GLU 9 HG2 GLU 9 9.983 2.975 7.648
72 2HG GLU 9 HG3 GLU 9 10.206 4.255 8.851
73 H LEU 10 H LEU 10 7.970 4.138 4.568
74 HA LEU 10 HA LEU 10 10.018 2.150 3.970
75 1HB LEU 10 HB2 LEU 10 7.425 2.734 2.524
76 2HB LEU 10 HB3 LEU 10 8.487 1.345 2.280
77 HG LEU 10 HG LEU 10 6.744 1.977 4.688
78 1HD1 LEU 10 HD11 LEU 10 7.019 -0.478 2.892
79 2HD1 LEU 10 HD12 LEU 10 5.823 -0.251 4.180
80 3HD1 LEU 10 HD13 LEU 10 5.768 0.765 2.725
81 1HD2 LEU 10 HD21 LEU 10 8.967 -0.107 4.518
82 2HD2 LEU 10 HD22 LEU 10 8.834 1.222 5.697
83 3HD2 LEU 10 HD23 LEU 10 7.676 -0.107 5.737
84 H GLN 11 H GLN 11 8.846 5.192 2.467
85 HA GLN 11 HA GLN 11 10.551 5.080 0.162
86 1HB GLN 11 HB2 GLN 11 9.523 7.375 1.850
87 2HB GLN 11 HB3 GLN 11 10.648 7.664 0.530
88 1HG GLN 11 HG2 GLN 11 8.090 6.086 0.149
89 2HG GLN 11 HG3 GLN 11 8.136 7.849 0.012
90 1HE2 GLN 11 HE22 GLN 11 8.065 5.231 -1.984
91 2HE2 GLN 11 HE21 GLN 11 9.025 5.909 -3.294
92 H ARG 12 H ARG 12 11.251 6.338 3.481
93 HA ARG 12 HA ARG 12 13.937 6.947 2.944
94 1HB ARG 12 HB2 ARG 12 12.631 7.629 4.950
95 2HB ARG 12 HB3 ARG 12 12.844 6.015 5.644
96 1HG ARG 12 HG2 ARG 12 15.221 7.630 4.667
97 2HG ARG 12 HG3 ARG 12 14.494 8.008 6.226
98 1HD ARG 12 HD2 ARG 12 15.006 5.915 7.176
99 2HD ARG 12 HD3 ARG 12 15.424 5.154 5.654
100 HE ARG 12 HE ARG 12 17.126 6.750 7.317
101 1HH1 ARG 12 HH21 ARG 12 16.536 5.845 3.917
102 2HH1 ARG 12 HH22 ARG 12 18.142 6.277 3.405
103 1HH2 ARG 12 HH11 ARG 12 19.237 7.239 6.631
104 2HH2 ARG 12 HH12 ARG 12 19.706 7.042 4.966
105 H MET 13 H MET 13 12.535 3.882 4.198
106 HA MET 13 HA MET 13 14.931 2.441 4.418
107 1HB MET 13 HB2 MET 13 12.735 1.666 5.261
108 2HB MET 13 HB3 MET 13 12.201 1.377 3.595
109 1HG MET 13 HG2 MET 13 12.906 -0.702 4.631
110 2HG MET 13 HG3 MET 13 13.982 -0.301 3.293
111 1HE MET 13 HE1 MET 13 15.772 -2.039 3.994
112 2HE MET 13 HE2 MET 13 16.381 -2.223 5.655
113 3HE MET 13 HE3 MET 13 14.675 -2.572 5.294
114 H GLN 14 H GLN 14 12.761 2.772 1.590
115 HA GLN 14 HA GLN 14 14.208 1.193 -0.251
116 1HB GLN 14 HB2 GLN 14 12.450 3.634 -0.643
117 2HB GLN 14 HB3 GLN 14 13.098 2.681 -1.978
118 1HG GLN 14 HG2 GLN 14 11.801 0.798 -1.476
119 2HG GLN 14 HG3 GLN 14 11.538 1.267 0.200
120 1HE2 GLN 14 HE22 GLN 14 11.114 3.392 -2.674
121 2HE2 GLN 14 HE21 GLN 14 9.393 3.617 -2.428
122 H GLU 15 H GLU 15 14.579 4.705 0.588
123 HA GLU 15 HA GLU 15 16.626 5.211 -1.318
124 1HB GLU 15 HB2 GLU 15 16.053 6.504 1.373
125 2HB GLU 15 HB3 GLU 15 17.274 7.089 0.239
126 1HG GLU 15 HG2 GLU 15 15.629 7.521 -1.471
127 2HG GLU 15 HG3 GLU 15 14.348 6.739 -0.545
128 H LYS 16 H LYS 16 16.986 4.183 2.155
129 HA LYS 16 HA LYS 16 19.868 4.066 1.873
130 1HB LYS 16 HB2 LYS 16 19.907 2.671 3.896
131 2HB LYS 16 HB3 LYS 16 19.188 4.263 4.082
132 1HG LYS 16 HG2 LYS 16 16.946 3.300 4.014
133 2HG LYS 16 HG3 LYS 16 17.589 1.672 3.796
134 1HD LYS 16 HD2 LYS 16 18.069 3.517 6.195
135 2HD LYS 16 HD3 LYS 16 16.883 2.213 6.141
136 1HE LYS 16 HE2 LYS 16 19.917 1.887 6.017
137 2HE LYS 16 HE3 LYS 16 18.842 1.461 7.352
138 1HZ LYS 16 HZ1 LYS 16 18.847 0.226 4.691
139 2HZ LYS 16 HZ2 LYS 16 19.384 -0.452 6.092
140 3HZ LYS 16 HZ3 LYS 16 17.778 -0.128 5.894
141 H GLU 17 H GLU 17 17.307 1.644 1.323
142 HA GLU 17 HA GLU 17 19.031 -0.566 0.917
143 1HB GLU 17 HB2 GLU 17 16.502 -0.593 1.171
144 2HB GLU 17 HB3 GLU 17 16.385 -0.020 -0.499
145 1HG GLU 17 HG2 GLU 17 16.085 -2.428 -0.438
146 2HG GLU 17 HG3 GLU 17 17.614 -2.076 -1.251
147 H ARG 18 H ARG 18 17.760 1.871 -1.375
148 HA ARG 18 HA ARG 18 18.996 0.954 -3.736
149 1HB ARG 18 HB2 ARG 18 17.242 2.805 -3.350
150 2HB ARG 18 HB3 ARG 18 18.586 3.888 -3.015
151 1HG ARG 18 HG2 ARG 18 17.970 2.356 -5.585
152 2HG ARG 18 HG3 ARG 18 17.768 4.087 -5.306
153 1HD ARG 18 HD2 ARG 18 20.372 2.549 -5.569
154 2HD ARG 18 HD3 ARG 18 19.715 3.783 -6.650
155 HE ARG 18 HE ARG 18 19.971 5.011 -4.136
156 1HH1 ARG 18 HH21 ARG 18 22.066 3.573 -6.610
157 2HH1 ARG 18 HH22 ARG 18 23.472 4.500 -6.111
158 1HH2 ARG 18 HH11 ARG 18 21.878 6.198 -3.505
159 2HH2 ARG 18 HH12 ARG 18 23.379 5.905 -4.365
160 H ASN 19 H ASN 19 20.167 3.332 -1.280
161 HA ASN 19 HA ASN 19 22.716 3.704 -2.444
162 1HB ASN 19 HB2 ASN 19 21.793 5.178 -0.722
163 2HB ASN 19 HB3 ASN 19 21.960 3.898 0.492
164 1HD2 ASN 19 HD22 ASN 19 24.059 3.436 1.352
165 2HD2 ASN 19 HD21 ASN 19 25.455 4.411 0.931
166 H LYS 20 H LYS 20 21.652 1.207 -0.097
167 HA LYS 20 HA LYS 20 24.229 0.019 0.263
168 1HB LYS 20 HB2 LYS 20 22.421 -0.425 1.772
169 2HB LYS 20 HB3 LYS 20 21.419 -1.145 0.513
170 1HG LYS 20 HG2 LYS 20 24.153 -2.309 0.999
171 2HG LYS 20 HG3 LYS 20 22.901 -2.616 2.202
172 1HD LYS 20 HD2 LYS 20 21.490 -3.766 0.749
173 2HD LYS 20 HD3 LYS 20 22.233 -3.139 -0.715
174 1HE LYS 20 HE2 LYS 20 23.632 -5.040 1.217
175 2HE LYS 20 HE3 LYS 20 22.784 -5.529 -0.260
176 1HZ LYS 20 HZ1 LYS 20 24.283 -4.151 -1.516
177 2HZ LYS 20 HZ2 LYS 20 25.108 -3.736 -0.159
178 3HZ LYS 20 HZ3 LYS 20 25.102 -5.303 -0.667
179 H GLY 21 H GLY 21 21.669 -0.440 -2.189
180 1HA GLY 21 HA2 GLY 21 23.034 -2.543 -3.652
181 2HA GLY 21 HA3 GLY 21 21.648 -1.574 -4.173
182 H GLN 22 H GLN 22 25.093 -0.930 -3.365
183 HA GLN 22 HA GLN 22 25.582 0.168 -6.089
184 1HB GLN 22 HB2 GLN 22 26.317 1.502 -3.448
185 2HB GLN 22 HB3 GLN 22 26.987 1.959 -5.023
186 1HG GLN 22 HG2 GLN 22 24.744 2.492 -5.877
187 2HG GLN 22 HG3 GLN 22 24.018 2.055 -4.326
188 1HE2 GLN 22 HE22 GLN 22 25.342 3.180 -2.403
189 2HE2 GLN 22 HE21 GLN 22 25.366 4.929 -2.541
Start of MODEL 23
1 1H PHE 1 H1 PHE 1 -0.074 7.812 -2.563
2 2H PHE 1 H2 PHE 1 1.535 7.866 -2.948
3 3H PHE 1 H3 PHE 1 0.920 8.835 -1.754
4 HA PHE 1 HA PHE 1 1.023 5.921 -1.682
5 1HB PHE 1 HB2 PHE 1 2.741 6.145 0.017
6 2HB PHE 1 HB3 PHE 1 3.246 6.949 -1.457
7 HD1 PHE 1 HD1 PHE 1 2.194 7.437 2.064
8 HD2 PHE 1 HD2 PHE 1 3.535 9.386 -1.542
9 HE1 PHE 1 HE1 PHE 1 2.599 9.515 3.340
10 HE2 PHE 1 HE2 PHE 1 3.981 11.453 -0.248
11 HZ PHE 1 HZ PHE 1 3.509 11.524 2.191
12 H VAL 2 H VAL 2 0.885 5.313 0.821
13 HA VAL 2 HA VAL 2 -1.091 6.950 2.255
14 HB VAL 2 HB VAL 2 -2.180 4.753 2.984
15 1HG1 VAL 2 HG11 VAL 2 -3.280 6.372 1.477
16 2HG1 VAL 2 HG12 VAL 2 -2.543 5.574 0.072
17 3HG1 VAL 2 HG13 VAL 2 -3.713 4.701 1.079
18 1HG2 VAL 2 HG21 VAL 2 -0.448 3.197 2.048
19 2HG2 VAL 2 HG22 VAL 2 -2.091 2.838 1.502
20 3HG2 VAL 2 HG23 VAL 2 -0.958 3.652 0.410
21 HA PRO 3 HA PRO 3 2.008 6.140 5.286
22 1HB PRO 3 HB2 PRO 3 0.814 6.864 7.614
23 2HB PRO 3 HB3 PRO 3 1.056 8.012 6.276
24 1HG PRO 3 HG2 PRO 3 -1.446 6.394 6.864
25 2HG PRO 3 HG3 PRO 3 -1.323 8.169 6.667
26 1HD PRO 3 HD2 PRO 3 -2.015 6.561 4.584
27 2HD PRO 3 HD3 PRO 3 -0.941 7.971 4.337
28 H ILE 4 H ILE 4 1.139 3.713 4.391
29 HA ILE 4 HA ILE 4 -0.337 2.022 5.967
30 HB ILE 4 HB ILE 4 1.620 0.273 5.061
31 1HG1 ILE 4 HG12 ILE 4 2.223 0.854 2.814
32 2HG1 ILE 4 HG13 ILE 4 1.512 2.454 2.950
33 1HG2 ILE 4 HG21 ILE 4 -0.756 1.403 3.557
34 2HG2 ILE 4 HG22 ILE 4 0.084 -0.118 3.182
35 3HG2 ILE 4 HG23 ILE 4 -0.763 0.065 4.725
36 1HD1 ILE 4 HD11 ILE 4 3.988 2.389 3.038
37 2HD1 ILE 4 HD12 ILE 4 3.293 3.172 4.447
38 3HD1 ILE 4 HD13 ILE 4 3.909 1.496 4.563
39 H PHE 5 H PHE 5 3.140 2.411 6.245
40 HA PHE 5 HA PHE 5 3.034 1.431 9.083
41 1HB PHE 5 HB2 PHE 5 5.435 1.371 7.256
42 2HB PHE 5 HB3 PHE 5 5.237 0.537 8.793
43 HD1 PHE 5 HD1 PHE 5 2.610 -0.852 8.412
44 HD2 PHE 5 HD2 PHE 5 5.885 -0.270 5.656
45 HE1 PHE 5 HE1 PHE 5 1.816 -2.761 7.055
46 HE2 PHE 5 HE2 PHE 5 5.074 -2.173 4.300
47 HZ PHE 5 HZ PHE 5 3.033 -3.416 4.985
48 H THR 6 H THR 6 2.567 4.099 7.828
49 HA THR 6 HA THR 6 2.988 6.246 8.430
50 HB THR 6 HB THR 6 5.819 5.700 9.345
51 HG1 THR 6 HG1 THR 6 4.609 4.413 10.617
52 1HG2 THR 6 HG21 THR 6 3.772 7.846 10.040
53 2HG2 THR 6 HG22 THR 6 5.383 7.676 10.761
54 3HG2 THR 6 HG23 THR 6 5.229 8.074 9.044
55 H TYR 7 H TYR 7 4.969 4.202 6.489
56 HA TYR 7 HA TYR 7 5.613 4.357 4.380
57 1HB TYR 7 HB2 TYR 7 3.671 5.635 3.811
58 2HB TYR 7 HB3 TYR 7 4.409 7.146 4.332
59 HD1 TYR 7 HD1 TYR 7 4.824 4.334 1.885
60 HD2 TYR 7 HD2 TYR 7 5.659 8.460 2.822
61 HE1 TYR 7 HE1 TYR 7 5.733 4.670 -0.393
62 HE2 TYR 7 HE2 TYR 7 6.448 8.820 0.499
63 HH TYR 7 HH TYR 7 7.168 6.150 -1.605
64 H GLY 8 H GLY 8 6.416 7.366 6.080
65 1HA GLY 8 HA2 GLY 8 8.777 8.091 4.828
66 2HA GLY 8 HA3 GLY 8 8.509 8.272 6.571
67 H GLU 9 H GLU 9 8.461 5.664 7.463
68 HA GLU 9 HA GLU 9 11.269 5.061 7.555
69 1HB GLU 9 HB2 GLU 9 10.446 2.913 8.711
70 2HB GLU 9 HB3 GLU 9 10.276 4.477 9.502
71 1HG GLU 9 HG2 GLU 9 8.310 3.069 9.847
72 2HG GLU 9 HG3 GLU 9 7.892 4.564 9.031
73 H LEU 10 H LEU 10 8.573 3.686 5.672
74 HA LEU 10 HA LEU 10 10.052 1.483 4.632
75 1HB LEU 10 HB2 LEU 10 7.585 1.616 4.621
76 2HB LEU 10 HB3 LEU 10 7.649 2.969 3.488
77 HG LEU 10 HG LEU 10 8.688 1.512 1.773
78 1HD1 LEU 10 HD11 LEU 10 8.600 -0.970 2.126
79 2HD1 LEU 10 HD12 LEU 10 9.808 -0.183 3.143
80 3HD1 LEU 10 HD13 LEU 10 8.254 -0.690 3.845
81 1HD2 LEU 10 HD21 LEU 10 6.649 0.219 1.289
82 2HD2 LEU 10 HD22 LEU 10 6.086 0.456 2.956
83 3HD2 LEU 10 HD23 LEU 10 6.250 1.846 1.861
84 H GLN 11 H GLN 11 9.444 4.821 3.446
85 HA GLN 11 HA GLN 11 11.037 4.565 1.089
86 1HB GLN 11 HB2 GLN 11 10.190 6.954 2.761
87 2HB GLN 11 HB3 GLN 11 11.242 7.140 1.362
88 1HG GLN 11 HG2 GLN 11 8.451 5.928 1.360
89 2HG GLN 11 HG3 GLN 11 8.906 7.526 0.744
90 1HE2 GLN 11 HE22 GLN 11 11.333 6.827 -0.658
91 2HE2 GLN 11 HE21 GLN 11 10.920 5.730 -1.961
92 H ARG 12 H ARG 12 11.970 5.432 4.455
93 HA ARG 12 HA ARG 12 14.704 5.961 3.726
94 1HB ARG 12 HB2 ARG 12 13.417 5.169 6.355
95 2HB ARG 12 HB3 ARG 12 15.157 5.467 6.168
96 1HG ARG 12 HG2 ARG 12 14.765 7.691 5.286
97 2HG ARG 12 HG3 ARG 12 13.019 7.455 5.297
98 1HD ARG 12 HD2 ARG 12 13.709 8.796 7.271
99 2HD ARG 12 HD3 ARG 12 12.984 7.261 7.735
100 HE ARG 12 HE ARG 12 14.933 6.598 8.708
101 1HH1 ARG 12 HH21 ARG 12 15.681 9.265 6.522
102 2HH1 ARG 12 HH22 ARG 12 17.341 9.413 7.032
103 1HH2 ARG 12 HH11 ARG 12 17.094 6.769 9.388
104 2HH2 ARG 12 HH12 ARG 12 18.158 7.960 8.691
105 H MET 13 H MET 13 13.138 2.918 4.872
106 HA MET 13 HA MET 13 15.509 1.334 4.713
107 1HB MET 13 HB2 MET 13 12.573 0.593 4.374
108 2HB MET 13 HB3 MET 13 13.891 -0.587 4.455
109 1HG MET 13 HG2 MET 13 13.243 1.423 6.645
110 2HG MET 13 HG3 MET 13 12.768 -0.275 6.633
111 1HE MET 13 HE1 MET 13 14.260 1.218 9.028
112 2HE MET 13 HE2 MET 13 13.751 -0.489 9.073
113 3HE MET 13 HE3 MET 13 15.419 -0.046 9.504
114 H GLN 14 H GLN 14 13.041 2.086 2.256
115 HA GLN 14 HA GLN 14 14.134 0.658 0.081
116 1HB GLN 14 HB2 GLN 14 11.906 1.719 0.191
117 2HB GLN 14 HB3 GLN 14 12.668 3.310 0.171
118 1HG GLN 14 HG2 GLN 14 13.588 2.764 -2.123
119 2HG GLN 14 HG3 GLN 14 12.544 1.329 -2.112
120 1HE2 GLN 14 HE22 GLN 14 10.175 2.087 -1.074
121 2HE2 GLN 14 HE21 GLN 14 9.538 3.569 -1.768
122 H GLU 15 H GLU 15 14.819 4.057 1.195
123 HA GLU 15 HA GLU 15 16.673 4.670 -0.846
124 1HB GLU 15 HB2 GLU 15 15.612 6.274 0.718
125 2HB GLU 15 HB3 GLU 15 16.622 5.682 2.037
126 1HG GLU 15 HG2 GLU 15 17.690 6.906 -0.553
127 2HG GLU 15 HG3 GLU 15 17.392 7.818 0.932
128 H LYS 16 H LYS 16 17.205 3.299 2.429
129 HA LYS 16 HA LYS 16 20.015 2.985 2.252
130 1HB LYS 16 HB2 LYS 16 17.904 1.424 3.784
131 2HB LYS 16 HB3 LYS 16 19.650 1.202 3.997
132 1HG LYS 16 HG2 LYS 16 19.950 3.459 4.777
133 2HG LYS 16 HG3 LYS 16 18.335 3.938 4.277
134 1HD LYS 16 HD2 LYS 16 18.437 3.637 6.709
135 2HD LYS 16 HD3 LYS 16 17.273 2.551 5.949
136 1HE LYS 16 HE2 LYS 16 18.573 1.418 7.720
137 2HE LYS 16 HE3 LYS 16 18.823 0.656 6.148
138 1HZ LYS 16 HZ1 LYS 16 20.887 1.849 5.967
139 2HZ LYS 16 HZ2 LYS 16 20.644 2.581 7.425
140 3HZ LYS 16 HZ3 LYS 16 20.865 0.950 7.347
141 H GLU 17 H GLU 17 17.388 0.685 1.408
142 HA GLU 17 HA GLU 17 18.977 -1.480 0.595
143 1HB GLU 17 HB2 GLU 17 16.516 -1.518 0.942
144 2HB GLU 17 HB3 GLU 17 16.292 -0.571 -0.536
145 1HG GLU 17 HG2 GLU 17 17.332 -2.416 -1.857
146 2HG GLU 17 HG3 GLU 17 17.539 -3.348 -0.364
147 H ARG 18 H ARG 18 17.655 1.213 -1.407
148 HA ARG 18 HA ARG 18 18.911 0.437 -3.842
149 1HB ARG 18 HB2 ARG 18 18.017 3.156 -2.800
150 2HB ARG 18 HB3 ARG 18 18.631 2.875 -4.439
151 1HG ARG 18 HG2 ARG 18 16.850 1.256 -4.893
152 2HG ARG 18 HG3 ARG 18 16.231 1.407 -3.247
153 1HD ARG 18 HD2 ARG 18 14.860 2.783 -4.751
154 2HD ARG 18 HD3 ARG 18 15.735 3.791 -3.604
155 HE ARG 18 HE ARG 18 16.880 4.786 -5.305
156 1HH1 ARG 18 HH21 ARG 18 15.490 1.792 -6.553
157 2HH1 ARG 18 HH22 ARG 18 15.924 2.106 -8.212
158 1HH2 ARG 18 HH11 ARG 18 17.468 5.213 -7.460
159 2HH2 ARG 18 HH12 ARG 18 17.078 4.087 -8.731
160 H ASN 19 H ASN 19 20.034 2.675 -1.264
161 HA ASN 19 HA ASN 19 22.449 3.474 -2.461
162 1HB ASN 19 HB2 ASN 19 21.619 4.586 -0.483
163 2HB ASN 19 HB3 ASN 19 21.714 3.098 0.465
164 1HD2 ASN 19 HD22 ASN 19 23.804 5.366 -1.421
165 2HD2 ASN 19 HD21 ASN 19 25.216 5.099 -0.413
166 H LYS 20 H LYS 20 21.909 0.690 -0.215
167 HA LYS 20 HA LYS 20 24.645 -0.209 -0.442
168 1HB LYS 20 HB2 LYS 20 22.126 -1.676 0.438
169 2HB LYS 20 HB3 LYS 20 23.766 -2.292 0.626
170 1HG LYS 20 HG2 LYS 20 22.568 0.176 1.960
171 2HG LYS 20 HG3 LYS 20 22.993 -1.350 2.726
172 1HD LYS 20 HD2 LYS 20 24.898 0.738 1.568
173 2HD LYS 20 HD3 LYS 20 24.631 0.348 3.262
174 1HE LYS 20 HE2 LYS 20 25.518 -1.964 2.876
175 2HE LYS 20 HE3 LYS 20 25.874 -1.529 1.192
176 1HZ LYS 20 HZ1 LYS 20 27.322 0.177 1.987
177 2HZ LYS 20 HZ2 LYS 20 27.012 -0.226 3.555
178 3HZ LYS 20 HZ3 LYS 20 27.779 -1.296 2.564
179 H GLY 21 H GLY 21 21.670 -0.993 -2.234
180 1HA GLY 21 HA2 GLY 21 22.663 -3.166 -3.762
181 2HA GLY 21 HA3 GLY 21 21.380 -2.039 -4.240
182 H GLN 22 H GLN 22 22.801 0.377 -4.312
183 HA GLN 22 HA GLN 22 23.929 0.335 -6.898
184 1HB GLN 22 HB2 GLN 22 22.893 2.282 -5.738
185 2HB GLN 22 HB3 GLN 22 24.322 2.406 -4.697
186 1HG GLN 22 HG2 GLN 22 25.746 2.802 -6.698
187 2HG GLN 22 HG3 GLN 22 24.317 2.680 -7.738
188 1HE2 GLN 22 HE22 GLN 22 22.393 4.200 -6.773
189 2HE2 GLN 22 HE21 GLN 22 22.942 5.839 -6.457
Start of MODEL 24
1 1H PHE 1 H1 PHE 1 -0.295 10.243 1.872
2 2H PHE 1 H2 PHE 1 -1.372 9.900 0.680
3 3H PHE 1 H3 PHE 1 0.149 10.419 0.287
4 HA PHE 1 HA PHE 1 -0.107 8.065 -0.058
5 1HB PHE 1 HB2 PHE 1 1.858 7.333 1.307
6 2HB PHE 1 HB3 PHE 1 2.107 8.804 0.383
7 HD1 PHE 1 HD1 PHE 1 2.930 10.754 1.442
8 HD2 PHE 1 HD2 PHE 1 1.261 7.592 3.859
9 HE1 PHE 1 HE1 PHE 1 3.717 11.894 3.495
10 HE2 PHE 1 HE2 PHE 1 2.013 8.762 5.903
11 HZ PHE 1 HZ PHE 1 3.258 10.904 5.728
12 H VAL 2 H VAL 2 -0.350 5.936 0.898
13 HA VAL 2 HA VAL 2 -2.208 5.844 3.176
14 HB VAL 2 HB VAL 2 -0.973 3.593 1.542
15 1HG1 VAL 2 HG11 VAL 2 -1.773 2.901 3.806
16 2HG1 VAL 2 HG12 VAL 2 -3.352 3.632 3.459
17 3HG1 VAL 2 HG13 VAL 2 -2.788 2.237 2.517
18 1HG2 VAL 2 HG21 VAL 2 -3.215 3.478 0.461
19 2HG2 VAL 2 HG22 VAL 2 -3.690 4.965 1.307
20 3HG2 VAL 2 HG23 VAL 2 -2.391 4.998 0.096
21 HA PRO 3 HA PRO 3 1.618 5.616 5.557
22 1HB PRO 3 HB2 PRO 3 0.682 5.720 8.106
23 2HB PRO 3 HB3 PRO 3 0.474 7.073 6.967
24 1HG PRO 3 HG2 PRO 3 -1.534 4.880 7.565
25 2HG PRO 3 HG3 PRO 3 -1.795 6.648 7.655
26 1HD PRO 3 HD2 PRO 3 -2.457 5.218 5.431
27 2HD PRO 3 HD3 PRO 3 -1.762 6.862 5.294
28 H ILE 4 H ILE 4 1.173 3.218 4.370
29 HA ILE 4 HA ILE 4 0.163 1.101 5.793
30 HB ILE 4 HB ILE 4 2.104 -0.227 4.385
31 1HG1 ILE 4 HG12 ILE 4 2.394 0.802 2.215
32 2HG1 ILE 4 HG13 ILE 4 1.636 2.299 2.742
33 1HG2 ILE 4 HG21 ILE 4 -0.448 0.963 3.259
34 2HG2 ILE 4 HG22 ILE 4 0.427 -0.442 2.620
35 3HG2 ILE 4 HG23 ILE 4 -0.317 -0.525 4.222
36 1HD1 ILE 4 HD11 ILE 4 3.540 2.845 4.117
37 2HD1 ILE 4 HD12 ILE 4 4.221 1.197 3.919
38 3HD1 ILE 4 HD13 ILE 4 4.140 2.319 2.550
39 H PHE 5 H PHE 5 3.556 1.979 5.779
40 HA PHE 5 HA PHE 5 3.843 0.862 8.532
41 1HB PHE 5 HB2 PHE 5 6.092 0.929 6.503
42 2HB PHE 5 HB3 PHE 5 6.070 0.131 8.069
43 HD1 PHE 5 HD1 PHE 5 3.624 -1.507 8.032
44 HD2 PHE 5 HD2 PHE 5 6.438 -0.699 4.863
45 HE1 PHE 5 HE1 PHE 5 2.885 -3.548 6.848
46 HE2 PHE 5 HE2 PHE 5 5.684 -2.738 3.677
47 HZ PHE 5 HZ PHE 5 3.901 -4.164 4.661
48 H THR 6 H THR 6 2.896 3.380 7.693
49 HA THR 6 HA THR 6 3.259 5.624 7.771
50 HB THR 6 HB THR 6 5.748 5.033 9.432
51 HG1 THR 6 HG1 THR 6 4.304 5.060 11.152
52 1HG2 THR 6 HG21 THR 6 5.211 7.215 10.456
53 2HG2 THR 6 HG22 THR 6 5.495 7.411 8.721
54 3HG2 THR 6 HG23 THR 6 3.835 7.414 9.354
55 H TYR 7 H TYR 7 3.587 5.165 5.512
56 HA TYR 7 HA TYR 7 5.223 4.560 3.749
57 1HB TYR 7 HB2 TYR 7 3.324 5.965 3.235
58 2HB TYR 7 HB3 TYR 7 4.150 7.374 3.905
59 HD1 TYR 7 HD1 TYR 7 5.397 8.799 2.499
60 HD2 TYR 7 HD2 TYR 7 4.514 4.782 1.201
61 HE1 TYR 7 HE1 TYR 7 6.469 9.269 0.326
62 HE2 TYR 7 HE2 TYR 7 5.606 5.256 -0.978
63 HH TYR 7 HH TYR 7 7.025 8.440 -1.755
64 H GLY 8 H GLY 8 6.000 7.716 5.153
65 1HA GLY 8 HA2 GLY 8 8.361 8.362 3.873
66 2HA GLY 8 HA3 GLY 8 8.034 8.753 5.569
67 H GLU 9 H GLU 9 8.033 6.211 6.735
68 HA GLU 9 HA GLU 9 10.843 5.758 7.089
69 1HB GLU 9 HB2 GLU 9 8.489 3.996 7.914
70 2HB GLU 9 HB3 GLU 9 10.138 3.941 8.555
71 1HG GLU 9 HG2 GLU 9 8.126 6.216 8.878
72 2HG GLU 9 HG3 GLU 9 8.724 5.126 10.127
73 H LEU 10 H LEU 10 8.336 4.037 5.198
74 HA LEU 10 HA LEU 10 10.062 1.830 4.476
75 1HB LEU 10 HB2 LEU 10 7.622 1.619 4.375
76 2HB LEU 10 HB3 LEU 10 7.529 2.921 3.185
77 HG LEU 10 HG LEU 10 8.813 1.547 1.555
78 1HD1 LEU 10 HD11 LEU 10 9.056 -0.900 2.006
79 2HD1 LEU 10 HD12 LEU 10 10.104 0.081 3.033
80 3HD1 LEU 10 HD13 LEU 10 8.612 -0.616 3.702
81 1HD2 LEU 10 HD21 LEU 10 6.368 1.566 1.530
82 2HD2 LEU 10 HD22 LEU 10 6.998 -0.019 1.054
83 3HD2 LEU 10 HD23 LEU 10 6.322 0.212 2.678
84 H GLN 11 H GLN 11 9.113 4.935 2.986
85 HA GLN 11 HA GLN 11 10.568 4.628 0.579
86 1HB GLN 11 HB2 GLN 11 8.753 6.269 1.122
87 2HB GLN 11 HB3 GLN 11 9.922 7.250 2.009
88 1HG GLN 11 HG2 GLN 11 10.476 6.455 -0.883
89 2HG GLN 11 HG3 GLN 11 9.286 7.705 -0.525
90 1HE2 GLN 11 HE22 GLN 11 12.770 6.890 -0.036
91 2HE2 GLN 11 HE21 GLN 11 13.238 8.582 0.088
92 H ARG 12 H ARG 12 11.548 6.011 3.753
93 HA ARG 12 HA ARG 12 14.224 6.670 2.952
94 1HB ARG 12 HB2 ARG 12 12.914 6.130 5.634
95 2HB ARG 12 HB3 ARG 12 14.635 6.532 5.476
96 1HG ARG 12 HG2 ARG 12 14.183 8.613 4.409
97 2HG ARG 12 HG3 ARG 12 12.477 8.238 4.181
98 1HD ARG 12 HD2 ARG 12 12.760 9.811 6.092
99 2HD ARG 12 HD3 ARG 12 12.046 8.279 6.576
100 HE ARG 12 HE ARG 12 13.818 7.827 7.920
101 1HH1 ARG 12 HH11 ARG 12 14.808 10.342 5.655
102 2HH1 ARG 12 HH12 ARG 12 16.321 10.679 6.453
103 1HH2 ARG 12 HH21 ARG 12 15.787 8.233 8.974
104 2HH2 ARG 12 HH22 ARG 12 16.890 9.444 8.378
105 H MET 13 H MET 13 12.868 3.726 4.527
106 HA MET 13 HA MET 13 15.238 2.244 4.714
107 1HB MET 13 HB2 MET 13 13.174 1.537 5.730
108 2HB MET 13 HB3 MET 13 12.390 1.308 4.163
109 1HG MET 13 HG2 MET 13 14.893 -0.222 4.911
110 2HG MET 13 HG3 MET 13 13.283 -0.756 5.407
111 1HE MET 13 HE1 MET 13 15.405 -2.496 3.728
112 2HE MET 13 HE2 MET 13 13.838 -3.108 4.318
113 3HE MET 13 HE3 MET 13 14.286 -3.306 2.607
114 H GLN 14 H GLN 14 12.997 2.559 1.912
115 HA GLN 14 HA GLN 14 14.423 0.953 0.105
116 1HB GLN 14 HB2 GLN 14 12.191 1.933 -0.351
117 2HB GLN 14 HB3 GLN 14 12.927 3.531 -0.484
118 1HG GLN 14 HG2 GLN 14 14.340 2.653 -2.406
119 2HG GLN 14 HG3 GLN 14 13.378 1.169 -2.325
120 1HE2 GLN 14 HE22 GLN 14 13.006 4.784 -2.498
121 2HE2 GLN 14 HE21 GLN 14 11.630 4.713 -3.593
122 H GLU 15 H GLU 15 14.999 4.482 0.887
123 HA GLU 15 HA GLU 15 17.132 4.659 -1.043
124 1HB GLU 15 HB2 GLU 15 16.931 6.329 1.487
125 2HB GLU 15 HB3 GLU 15 17.776 6.696 -0.022
126 1HG GLU 15 HG2 GLU 15 14.832 6.718 0.558
127 2HG GLU 15 HG3 GLU 15 15.822 8.005 -0.113
128 H LYS 16 H LYS 16 17.137 3.898 2.459
129 HA LYS 16 HA LYS 16 19.965 3.658 2.743
130 1HB LYS 16 HB2 LYS 16 17.726 2.167 4.173
131 2HB LYS 16 HB3 LYS 16 19.413 2.174 4.686
132 1HG LYS 16 HG2 LYS 16 17.665 4.675 4.492
133 2HG LYS 16 HG3 LYS 16 17.952 3.733 5.958
134 1HD LYS 16 HD2 LYS 16 20.418 4.167 5.715
135 2HD LYS 16 HD3 LYS 16 20.065 5.228 4.334
136 1HE LYS 16 HE2 LYS 16 18.642 6.655 5.783
137 2HE LYS 16 HE3 LYS 16 19.005 5.609 7.170
138 1HZ LYS 16 HZ1 LYS 16 20.975 7.146 5.629
139 2HZ LYS 16 HZ2 LYS 16 20.399 7.531 7.124
140 3HZ LYS 16 HZ3 LYS 16 21.309 6.174 6.917
141 H GLU 17 H GLU 17 17.518 1.250 1.752
142 HA GLU 17 HA GLU 17 19.296 -0.942 1.454
143 1HB GLU 17 HB2 GLU 17 16.798 -0.989 1.539
144 2HB GLU 17 HB3 GLU 17 16.731 -0.364 -0.108
145 1HG GLU 17 HG2 GLU 17 18.204 -2.935 0.642
146 2HG GLU 17 HG3 GLU 17 16.483 -2.894 0.252
147 H ARG 18 H ARG 18 18.070 1.415 -0.983
148 HA ARG 18 HA ARG 18 19.617 0.530 -3.136
149 1HB ARG 18 HB2 ARG 18 17.665 2.271 -3.057
150 2HB ARG 18 HB3 ARG 18 18.903 3.436 -2.596
151 1HG ARG 18 HG2 ARG 18 18.783 3.795 -4.854
152 2HG ARG 18 HG3 ARG 18 20.108 2.632 -4.818
153 1HD ARG 18 HD2 ARG 18 17.166 2.058 -5.468
154 2HD ARG 18 HD3 ARG 18 18.494 2.162 -6.610
155 HE ARG 18 HE ARG 18 19.438 0.148 -5.855
156 1HH1 ARG 18 HH21 ARG 18 16.347 0.749 -4.163
157 2HH1 ARG 18 HH22 ARG 18 16.345 -0.857 -3.467
158 1HH2 ARG 18 HH11 ARG 18 19.351 -1.837 -4.974
159 2HH2 ARG 18 HH12 ARG 18 17.999 -2.365 -3.980
160 H ASN 19 H ASN 19 20.531 2.761 -0.549
161 HA ASN 19 HA ASN 19 22.928 3.735 -1.534
162 1HB ASN 19 HB2 ASN 19 21.701 4.165 0.724
163 2HB ASN 19 HB3 ASN 19 22.686 2.841 1.355
164 1HD2 ASN 19 HD22 ASN 19 25.195 3.463 -0.104
165 2HD2 ASN 19 HD21 ASN 19 25.730 4.988 0.578
166 H LYS 20 H LYS 20 22.270 0.459 -0.290
167 HA LYS 20 HA LYS 20 25.149 -0.267 -0.690
168 1HB LYS 20 HB2 LYS 20 24.569 -2.386 0.402
169 2HB LYS 20 HB3 LYS 20 24.542 -0.950 1.429
170 1HG LYS 20 HG2 LYS 20 22.089 -0.876 1.361
171 2HG LYS 20 HG3 LYS 20 22.044 -2.320 0.340
172 1HD LYS 20 HD2 LYS 20 23.128 -2.108 3.184
173 2HD LYS 20 HD3 LYS 20 21.588 -2.822 2.702
174 1HE LYS 20 HE2 LYS 20 24.377 -3.894 2.066
175 2HE LYS 20 HE3 LYS 20 23.171 -4.598 3.143
176 1HZ LYS 20 HZ1 LYS 20 21.748 -4.925 1.243
177 2HZ LYS 20 HZ2 LYS 20 22.895 -4.301 0.237
178 3HZ LYS 20 HZ3 LYS 20 23.190 -5.701 1.052
179 H GLY 21 H GLY 21 21.823 -1.354 -1.575
180 1HA GLY 21 HA2 GLY 21 22.848 -3.197 -3.610
181 2HA GLY 21 HA3 GLY 21 21.163 -2.825 -3.225
182 H GLN 22 H GLN 22 24.002 -0.951 -4.356
183 HA GLN 22 HA GLN 22 22.449 0.928 -5.848
184 1HB GLN 22 HB2 GLN 22 25.403 0.198 -6.046
185 2HB GLN 22 HB3 GLN 22 24.645 1.621 -6.785
186 1HG GLN 22 HG2 GLN 22 23.974 2.456 -4.561
187 2HG GLN 22 HG3 GLN 22 24.675 1.024 -3.790
188 1HE2 GLN 22 HE22 GLN 22 25.999 2.472 -2.516
189 2HE2 GLN 22 HE21 GLN 22 27.445 3.178 -3.241