NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505067 |
2eok   |
10219 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -6.721 6.404 -12.236
2 HA2 GLY 1 1HA GLY 1 -5.859 4.533 -13.666
3 HA3 GLY 1 2HA GLY 1 -6.510 5.442 -15.023
4 H SER 2 H SER 2 -3.788 4.586 -14.652
5 HA SER 2 HA SER 2 -2.501 7.210 -14.828
6 HB2 SER 2 1HB SER 2 -1.655 4.941 -13.035
7 HB3 SER 2 2HB SER 2 -0.502 6.154 -13.592
8 HG SER 2 HG SER 2 -1.739 7.739 -12.588
9 H SER 3 H SER 3 -0.945 7.357 -16.371
10 HA SER 3 HA SER 3 -0.362 4.900 -17.892
11 HB2 SER 3 1HB SER 3 -1.771 6.729 -19.011
12 HB3 SER 3 2HB SER 3 -0.290 7.686 -19.046
13 HG SER 3 HG SER 3 -0.310 6.612 -20.948
14 H GLY 4 H GLY 4 0.966 8.146 -17.223
15 HA2 GLY 4 1HA GLY 4 3.424 7.275 -16.241
16 HA3 GLY 4 2HA GLY 4 3.614 7.485 -17.975
17 H SER 5 H SER 5 2.371 9.204 -15.116
18 HA SER 5 HA SER 5 3.504 11.678 -16.251
19 HB2 SER 5 1HB SER 5 0.847 11.162 -14.986
20 HB3 SER 5 2HB SER 5 1.610 12.729 -14.717
21 HG SER 5 HG SER 5 1.473 11.712 -17.325
22 H SER 6 H SER 6 2.536 10.050 -13.243
23 HA SER 6 HA SER 6 4.609 11.596 -11.831
24 HB2 SER 6 1HB SER 6 2.087 11.695 -11.141
25 HB3 SER 6 2HB SER 6 2.414 10.125 -10.407
26 HG SER 6 HG SER 6 2.736 11.976 -9.003
27 H GLY 7 H GLY 7 5.459 10.354 -9.841
28 HA2 GLY 7 1HA GLY 7 6.650 7.929 -10.825
29 HA3 GLY 7 2HA GLY 7 6.950 8.683 -9.266
30 H GLU 8 H GLU 8 6.875 6.682 -8.199
31 HA GLU 8 HA GLU 8 4.145 5.668 -7.813
32 HB2 GLU 8 1HB GLU 8 5.625 4.192 -9.308
33 HB3 GLU 8 2HB GLU 8 6.531 3.834 -7.845
34 HG2 GLU 8 1HG GLU 8 4.756 2.704 -6.868
35 HG3 GLU 8 2HG GLU 8 3.568 3.450 -7.935
36 H LYS 9 H LYS 9 3.573 5.317 -5.740
37 HA LYS 9 HA LYS 9 5.134 6.375 -3.650
38 HB2 LYS 9 1HB LYS 9 2.673 4.629 -3.643
39 HB3 LYS 9 2HB LYS 9 3.398 5.261 -2.170
40 HG2 LYS 9 1HG LYS 9 1.746 6.803 -2.600
41 HG3 LYS 9 2HG LYS 9 3.157 7.563 -3.340
42 HD2 LYS 9 1HD LYS 9 2.397 7.215 -5.468
43 HD3 LYS 9 2HD LYS 9 1.499 5.761 -5.026
44 HE2 LYS 9 1HE LYS 9 -0.201 7.113 -3.942
45 HE3 LYS 9 2HE LYS 9 0.715 8.579 -4.289
46 HZ1 LYS 9 3HZ LYS 9 0.186 8.495 -6.503
47 HZ2 LYS 9 1HZ LYS 9 -1.229 7.857 -5.829
48 HZ3 LYS 9 2HZ LYS 9 -0.076 6.824 -6.508
49 HA PRO 10 HA PRO 10 7.766 3.016 -2.570
50 HB2 PRO 10 1HB PRO 10 8.247 3.657 0.024
51 HB3 PRO 10 2HB PRO 10 8.957 4.542 -1.332
52 HG2 PRO 10 1HG PRO 10 6.576 5.236 0.345
53 HG3 PRO 10 2HG PRO 10 7.887 6.285 -0.225
54 HD2 PRO 10 1HD PRO 10 5.460 6.204 -1.423
55 HD3 PRO 10 2HD PRO 10 6.958 6.517 -2.322
56 H TYR 11 H TYR 11 5.362 3.812 -0.051
57 HA TYR 11 HA TYR 11 5.294 1.136 0.954
58 HB2 TYR 11 1HB TYR 11 3.261 3.317 1.435
59 HB3 TYR 11 2HB TYR 11 3.587 1.917 2.449
60 HD1 TYR 11 HD2 TYR 11 4.775 5.231 1.425
61 HD2 TYR 11 HD1 TYR 11 5.496 1.874 3.937
62 HE1 TYR 11 HE2 TYR 11 6.389 6.557 2.723
63 HE2 TYR 11 HE1 TYR 11 7.111 3.190 5.243
64 HH TYR 11 HH TYR 11 7.353 5.950 5.626
65 H VAL 12 H VAL 12 3.891 -0.489 0.535
66 HA VAL 12 HA VAL 12 1.558 0.003 -1.146
67 HB VAL 12 HB VAL 12 3.694 -1.997 -1.898
68 HG11 VAL 12 1HG1 VAL 12 1.118 -2.471 -2.233
69 HG12 VAL 12 2HG1 VAL 12 1.344 -1.407 -3.622
70 HG13 VAL 12 3HG1 VAL 12 2.299 -2.883 -3.476
71 HG21 VAL 12 3HG2 VAL 12 2.727 0.323 -3.543
72 HG22 VAL 12 1HG2 VAL 12 4.074 0.471 -2.414
73 HG23 VAL 12 2HG2 VAL 12 4.176 -0.657 -3.766
74 H CYS 13 H CYS 13 -0.074 -0.900 -0.094
75 HA CYS 13 HA CYS 13 0.030 -2.614 2.039
76 HB2 CYS 13 1HB CYS 13 -2.017 -1.473 1.472
77 HB3 CYS 13 2HB CYS 13 -2.131 -2.341 -0.056
78 H SER 14 H SER 14 -0.532 -4.876 2.270
79 HA SER 14 HA SER 14 0.558 -6.484 0.062
80 HB2 SER 14 1HB SER 14 1.628 -6.486 2.416
81 HB3 SER 14 2HB SER 14 0.235 -7.456 2.894
82 HG SER 14 HG SER 14 1.768 -8.165 0.640
83 H ASP 15 H ASP 15 -2.136 -6.168 2.290
84 HA ASP 15 HA ASP 15 -3.470 -8.559 1.774
85 HB2 ASP 15 1HB ASP 15 -3.997 -6.704 3.498
86 HB3 ASP 15 2HB ASP 15 -4.934 -5.966 2.202
87 H CYS 16 H CYS 16 -4.194 -5.378 0.321
88 HA CYS 16 HA CYS 16 -5.501 -6.750 -1.909
89 HB2 CYS 16 1HB CYS 16 -6.341 -4.481 -2.497
90 HB3 CYS 16 2HB CYS 16 -6.813 -4.998 -0.882
91 H GLY 17 H GLY 17 -2.936 -4.404 -1.238
92 HA2 GLY 17 1HA GLY 17 -0.883 -4.567 -2.535
93 HA3 GLY 17 2HA GLY 17 -1.870 -4.959 -3.934
94 H LYS 18 H LYS 18 -2.935 -2.465 -1.790
95 HA LYS 18 HA LYS 18 -2.881 -0.527 -3.892
96 HB2 LYS 18 1HB LYS 18 -4.548 -0.759 -1.913
97 HB3 LYS 18 2HB LYS 18 -3.345 0.141 -1.000
98 HG2 LYS 18 1HG LYS 18 -3.704 2.074 -2.159
99 HG3 LYS 18 2HG LYS 18 -4.228 1.231 -3.619
100 HD2 LYS 18 1HD LYS 18 -6.254 0.507 -2.173
101 HD3 LYS 18 2HD LYS 18 -5.774 1.846 -1.128
102 HE2 LYS 18 1HE LYS 18 -6.316 2.097 -4.083
103 HE3 LYS 18 2HE LYS 18 -7.500 2.442 -2.823
104 HZ1 LYS 18 3HZ LYS 18 -6.683 4.489 -2.789
105 HZ2 LYS 18 1HZ LYS 18 -5.389 4.076 -3.799
106 HZ3 LYS 18 2HZ LYS 18 -5.256 3.867 -2.126
107 H ALA 19 H ALA 19 -2.031 1.760 -3.314
108 HA ALA 19 HA ALA 19 0.666 1.514 -2.151
109 HB1 ALA 19 3HB ALA 19 1.641 2.694 -3.885
110 HB2 ALA 19 1HB ALA 19 0.455 1.698 -4.729
111 HB3 ALA 19 2HB ALA 19 0.110 3.398 -4.405
112 H PHE 20 H PHE 20 1.486 3.329 -1.069
113 HA PHE 20 HA PHE 20 -0.292 5.615 -0.698
114 HB2 PHE 20 1HB PHE 20 0.762 3.940 1.591
115 HB3 PHE 20 2HB PHE 20 -0.073 5.480 1.765
116 HD1 PHE 20 HD1 PHE 20 -2.463 5.662 1.177
117 HD2 PHE 20 HD2 PHE 20 -0.424 1.926 1.193
118 HE1 PHE 20 HE1 PHE 20 -4.624 4.487 1.219
119 HE2 PHE 20 HE2 PHE 20 -2.582 0.745 1.234
120 HZ PHE 20 HZ PHE 20 -4.686 2.025 1.246
121 H THR 21 H THR 21 0.767 7.504 -0.408
122 HA THR 21 HA THR 21 3.554 7.609 -0.927
123 HB THR 21 HB THR 21 1.727 9.809 0.059
124 HG1 THR 21 HG1 THR 21 0.966 9.642 -1.906
125 HG21 THR 21 3HG2 THR 21 3.812 10.713 0.408
126 HG22 THR 21 1HG2 THR 21 3.559 11.144 -1.283
127 HG23 THR 21 2HG2 THR 21 4.561 9.754 -0.867
128 H PHE 22 H PHE 22 1.622 8.250 1.987
129 HA PHE 22 HA PHE 22 4.104 8.337 3.556
130 HB2 PHE 22 1HB PHE 22 1.369 9.069 4.581
131 HB3 PHE 22 2HB PHE 22 2.941 9.557 5.207
132 HD1 PHE 22 HD1 PHE 22 4.396 11.010 3.624
133 HD2 PHE 22 HD2 PHE 22 0.191 10.502 3.212
134 HE1 PHE 22 HE1 PHE 22 4.278 13.086 2.308
135 HE2 PHE 22 HE2 PHE 22 0.065 12.575 1.894
136 HZ PHE 22 HZ PHE 22 2.110 13.870 1.439
137 H LYS 23 H LYS 23 4.414 7.011 5.329
138 HA LYS 23 HA LYS 23 3.396 4.412 5.200
139 HB2 LYS 23 1HB LYS 23 5.541 5.103 6.290
140 HB3 LYS 23 2HB LYS 23 4.601 5.748 7.629
141 HG2 LYS 23 1HG LYS 23 3.977 3.655 8.375
142 HG3 LYS 23 2HG LYS 23 4.257 2.899 6.804
143 HD2 LYS 23 1HD LYS 23 6.102 2.148 7.923
144 HD3 LYS 23 2HD LYS 23 6.745 3.663 7.284
145 HE2 LYS 23 1HE LYS 23 5.411 3.608 9.960
146 HE3 LYS 23 2HE LYS 23 7.080 3.064 9.797
147 HZ1 LYS 23 3HZ LYS 23 6.762 5.511 8.444
148 HZ2 LYS 23 1HZ LYS 23 7.746 5.160 9.775
149 HZ3 LYS 23 2HZ LYS 23 6.153 5.677 10.013
150 H SER 24 H SER 24 2.726 6.903 7.668
151 HA SER 24 HA SER 24 0.904 5.699 9.236
152 HB2 SER 24 1HB SER 24 -0.169 7.883 9.581
153 HB3 SER 24 2HB SER 24 1.585 8.049 9.510
154 HG SER 24 HG SER 24 0.083 9.513 8.195
155 H GLN 25 H GLN 25 0.112 7.245 6.129
156 HA GLN 25 HA GLN 25 -2.595 6.816 6.040
157 HB2 GLN 25 1HB GLN 25 -0.475 6.918 3.938
158 HB3 GLN 25 2HB GLN 25 -2.104 6.447 3.472
159 HG2 GLN 25 1HG GLN 25 -1.614 8.947 5.040
160 HG3 GLN 25 2HG GLN 25 -1.428 8.915 3.287
161 HE21 GLN 25 1HE2 GLN 25 -3.142 10.472 3.244
162 HE22 GLN 25 2HE2 GLN 25 -4.786 9.953 3.360
163 H LEU 26 H LEU 26 -0.026 4.534 5.172
164 HA LEU 26 HA LEU 26 -1.758 2.464 4.314
165 HB2 LEU 26 1HB LEU 26 0.530 2.464 3.616
166 HB3 LEU 26 2HB LEU 26 1.092 2.437 5.286
167 HG LEU 26 HG LEU 26 0.028 0.149 5.473
168 HD11 LEU 26 1HD1 LEU 26 0.225 -0.273 2.591
169 HD12 LEU 26 2HD1 LEU 26 -1.106 0.782 3.067
170 HD13 LEU 26 3HD1 LEU 26 -0.982 -0.842 3.744
171 HD21 LEU 26 3HD2 LEU 26 2.197 -0.330 5.338
172 HD22 LEU 26 1HD2 LEU 26 2.484 0.968 4.180
173 HD23 LEU 26 2HD2 LEU 26 1.943 -0.613 3.616
174 H ILE 27 H ILE 27 0.071 2.878 7.347
175 HA ILE 27 HA ILE 27 -0.696 0.682 8.747
176 HB ILE 27 HB ILE 27 -0.462 3.503 9.794
177 HG12 ILE 27 1HG1 ILE 27 1.487 1.190 9.850
178 HG13 ILE 27 2HG1 ILE 27 1.561 2.541 8.724
179 HG21 ILE 27 1HG2 ILE 27 0.137 1.673 11.827
180 HG22 ILE 27 2HG2 ILE 27 -1.246 2.763 11.735
181 HG23 ILE 27 3HG2 ILE 27 -1.375 1.119 11.109
182 HD11 ILE 27 3HD1 ILE 27 2.096 2.499 11.661
183 HD12 ILE 27 1HD1 ILE 27 3.100 3.113 10.347
184 HD13 ILE 27 2HD1 ILE 27 1.659 4.000 10.845
185 H VAL 28 H VAL 28 -2.606 3.614 8.244
186 HA VAL 28 HA VAL 28 -4.789 2.727 9.880
187 HB VAL 28 HB VAL 28 -4.679 4.944 7.830
188 HG11 VAL 28 1HG1 VAL 28 -6.965 4.098 8.315
189 HG12 VAL 28 2HG1 VAL 28 -6.706 4.492 10.016
190 HG13 VAL 28 3HG1 VAL 28 -6.712 5.773 8.803
191 HG21 VAL 28 3HG2 VAL 28 -3.986 4.771 10.717
192 HG22 VAL 28 1HG2 VAL 28 -3.226 5.699 9.423
193 HG23 VAL 28 2HG2 VAL 28 -4.746 6.251 10.129
194 H HIS 29 H HIS 29 -4.049 2.739 6.433
195 HA HIS 29 HA HIS 29 -6.571 1.962 5.479
196 HB2 HIS 29 1HB HIS 29 -5.177 2.684 3.784
197 HB3 HIS 29 2HB HIS 29 -3.781 1.819 4.419
198 HD1 HIS 29 HD1 HIS 29 -7.026 1.123 2.587
199 HD2 HIS 29 HD2 HIS 29 -3.288 -0.578 3.216
200 HE1 HIS 29 HE1 HIS 29 -6.933 -0.878 1.067
201 H GLN 30 H GLN 30 -3.703 -0.023 6.210
202 HA GLN 30 HA GLN 30 -4.533 -2.514 5.590
203 HB2 GLN 30 1HB GLN 30 -3.073 -1.632 8.080
204 HB3 GLN 30 2HB GLN 30 -3.256 -3.318 7.614
205 HG2 GLN 30 1HG GLN 30 -2.163 -2.672 5.417
206 HG3 GLN 30 2HG GLN 30 -1.738 -1.152 6.202
207 HE21 GLN 30 1HE2 GLN 30 0.463 -1.789 5.816
208 HE22 GLN 30 2HE2 GLN 30 1.245 -2.881 6.902
209 H GLY 31 H GLY 31 -5.689 -0.567 8.266
210 HA2 GLY 31 1HA GLY 31 -6.997 -2.499 9.781
211 HA3 GLY 31 2HA GLY 31 -7.500 -0.820 9.653
212 H ILE 32 H ILE 32 -8.245 -0.641 7.018
213 HA ILE 32 HA ILE 32 -10.856 -1.436 6.980
214 HB ILE 32 HB ILE 32 -10.931 -0.979 4.663
215 HG12 ILE 32 1HG1 ILE 32 -8.536 -0.724 3.514
216 HG13 ILE 32 2HG1 ILE 32 -8.111 -1.939 4.714
217 HG21 ILE 32 1HG2 ILE 32 -10.487 1.154 5.072
218 HG22 ILE 32 2HG2 ILE 32 -9.475 0.690 6.439
219 HG23 ILE 32 3HG2 ILE 32 -8.768 0.844 4.830
220 HD11 ILE 32 3HD1 ILE 32 -10.275 -3.113 3.769
221 HD12 ILE 32 1HD1 ILE 32 -9.885 -2.141 2.350
222 HD13 ILE 32 2HD1 ILE 32 -8.704 -3.286 2.987
223 H HIS 33 H HIS 33 -8.070 -3.388 6.414
224 HA HIS 33 HA HIS 33 -9.559 -5.527 5.140
225 HB2 HIS 33 1HB HIS 33 -6.678 -5.217 5.975
226 HB3 HIS 33 2HB HIS 33 -7.320 -6.738 5.363
227 HD1 HIS 33 HD1 HIS 33 -8.764 -6.176 2.929
228 HD2 HIS 33 HD2 HIS 33 -5.462 -3.884 3.981
229 HE1 HIS 33 HE1 HIS 33 -7.964 -5.127 0.788
230 H THR 34 H THR 34 -10.609 -4.879 7.627
231 HA THR 34 HA THR 34 -9.957 -7.301 9.171
232 HB THR 34 HB THR 34 -10.561 -6.033 11.242
233 HG1 THR 34 HG1 THR 34 -10.224 -3.619 10.816
234 HG21 THR 34 3HG2 THR 34 -8.317 -4.451 10.224
235 HG22 THR 34 1HG2 THR 34 -8.158 -6.183 9.937
236 HG23 THR 34 2HG2 THR 34 -8.385 -5.578 11.578
237 H GLY 35 H GLY 35 -11.948 -7.169 7.197
238 HA2 GLY 35 1HA GLY 35 -14.161 -8.211 8.563
239 HA3 GLY 35 2HA GLY 35 -14.510 -6.532 8.179
240 H VAL 36 H VAL 36 -13.589 -6.110 5.737
241 HA VAL 36 HA VAL 36 -15.462 -7.206 4.030
242 HB VAL 36 HB VAL 36 -12.735 -6.129 3.302
243 HG11 VAL 36 1HG1 VAL 36 -13.275 -6.994 1.292
244 HG12 VAL 36 2HG1 VAL 36 -14.990 -7.117 1.687
245 HG13 VAL 36 3HG1 VAL 36 -14.309 -5.570 1.183
246 HG21 VAL 36 3HG2 VAL 36 -15.424 -4.768 3.442
247 HG22 VAL 36 1HG2 VAL 36 -14.086 -4.541 4.568
248 HG23 VAL 36 2HG2 VAL 36 -13.922 -4.028 2.888
249 H SER 37 H SER 37 -15.669 -9.399 4.009
250 HA SER 37 HA SER 37 -13.322 -10.954 3.139
251 HB2 SER 37 1HB SER 37 -15.569 -11.574 5.004
252 HB3 SER 37 2HB SER 37 -14.893 -12.896 4.051
253 HG SER 37 HG SER 37 -13.145 -11.176 5.401
254 H GLY 38 H GLY 38 -16.866 -10.758 2.839
255 HA2 GLY 38 1HA GLY 38 -17.305 -12.599 0.850
256 HA3 GLY 38 2HA GLY 38 -18.226 -11.112 1.018
257 HA PRO 39 HA PRO 39 -15.600 -11.233 -2.946
258 HB2 PRO 39 1HB PRO 39 -17.607 -11.663 -4.723
259 HB3 PRO 39 2HB PRO 39 -16.687 -12.975 -3.976
260 HG2 PRO 39 1HG PRO 39 -19.383 -11.896 -3.246
261 HG3 PRO 39 2HG PRO 39 -18.843 -13.582 -3.349
262 HD2 PRO 39 1HD PRO 39 -19.055 -12.261 -0.995
263 HD3 PRO 39 2HD PRO 39 -17.831 -13.516 -1.279
264 H SER 40 H SER 40 -15.674 -9.632 -4.635
265 HA SER 40 HA SER 40 -17.752 -7.610 -4.515
266 HB2 SER 40 1HB SER 40 -16.178 -5.764 -4.102
267 HB3 SER 40 2HB SER 40 -16.204 -6.892 -2.746
268 HG SER 40 HG SER 40 -14.071 -6.197 -3.518
269 H SER 41 H SER 41 -18.197 -6.994 -6.518
270 HA SER 41 HA SER 41 -16.618 -7.830 -8.729
271 HB2 SER 41 1HB SER 41 -19.021 -6.013 -8.507
272 HB3 SER 41 2HB SER 41 -18.262 -6.409 -10.049
273 HG SER 41 HG SER 41 -19.911 -7.863 -9.700
274 H GLY 42 H GLY 42 -14.570 -6.847 -8.201
275 HA2 GLY 42 1HA GLY 42 -12.944 -5.259 -8.516
276 HA3 GLY 42 2HA GLY 42 -14.050 -4.505 -9.655
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -4.848 8.327 -24.856
2 HA2 GLY 1 1HA GLY 1 -5.409 6.575 -23.328
3 HA3 GLY 1 2HA GLY 1 -4.449 7.714 -22.395
4 H SER 2 H SER 2 -6.245 5.988 -21.185
5 HA SER 2 HA SER 2 -8.738 7.338 -20.699
6 HB2 SER 2 1HB SER 2 -9.159 5.540 -19.089
7 HB3 SER 2 2HB SER 2 -8.570 4.876 -20.613
8 HG SER 2 HG SER 2 -7.063 5.301 -18.245
9 H SER 3 H SER 3 -5.725 6.822 -18.909
10 HA SER 3 HA SER 3 -6.219 9.234 -17.378
11 HB2 SER 3 1HB SER 3 -5.959 8.163 -15.197
12 HB3 SER 3 2HB SER 3 -7.343 7.476 -16.047
13 HG SER 3 HG SER 3 -4.874 6.231 -16.393
14 H GLY 4 H GLY 4 -4.328 9.864 -16.071
15 HA2 GLY 4 1HA GLY 4 -1.828 8.516 -16.767
16 HA3 GLY 4 2HA GLY 4 -2.017 10.181 -17.300
17 H SER 5 H SER 5 -3.122 8.738 -14.265
18 HA SER 5 HA SER 5 -1.659 10.805 -12.815
19 HB2 SER 5 1HB SER 5 -4.093 10.332 -12.353
20 HB3 SER 5 2HB SER 5 -3.599 8.771 -11.697
21 HG SER 5 HG SER 5 -2.543 9.787 -10.060
22 H SER 6 H SER 6 -0.016 8.881 -13.955
23 HA SER 6 HA SER 6 0.728 6.624 -12.753
24 HB2 SER 6 1HB SER 6 2.437 8.923 -13.667
25 HB3 SER 6 2HB SER 6 3.175 7.470 -12.993
26 HG SER 6 HG SER 6 1.240 7.136 -14.971
27 H GLY 7 H GLY 7 0.847 5.998 -10.707
28 HA2 GLY 7 1HA GLY 7 1.763 7.957 -8.696
29 HA3 GLY 7 2HA GLY 7 0.629 6.656 -8.364
30 H GLU 8 H GLU 8 3.798 7.626 -8.098
31 HA GLU 8 HA GLU 8 4.767 4.852 -7.912
32 HB2 GLU 8 1HB GLU 8 6.170 7.443 -8.507
33 HB3 GLU 8 2HB GLU 8 7.063 6.047 -7.920
34 HG2 GLU 8 1HG GLU 8 6.632 4.806 -9.834
35 HG3 GLU 8 2HG GLU 8 5.271 5.823 -10.303
36 H LYS 9 H LYS 9 3.951 4.506 -5.818
37 HA LYS 9 HA LYS 9 5.175 6.129 -3.691
38 HB2 LYS 9 1HB LYS 9 2.631 4.560 -3.865
39 HB3 LYS 9 2HB LYS 9 3.382 4.806 -2.294
40 HG2 LYS 9 1HG LYS 9 1.851 6.545 -2.470
41 HG3 LYS 9 2HG LYS 9 3.392 7.294 -2.896
42 HD2 LYS 9 1HD LYS 9 1.949 8.085 -4.539
43 HD3 LYS 9 2HD LYS 9 2.738 6.716 -5.328
44 HE2 LYS 9 1HE LYS 9 0.555 6.278 -5.851
45 HE3 LYS 9 2HE LYS 9 0.690 5.395 -4.331
46 HZ1 LYS 9 3HZ LYS 9 -0.038 7.822 -3.475
47 HZ2 LYS 9 1HZ LYS 9 -1.127 6.569 -3.798
48 HZ3 LYS 9 2HZ LYS 9 -0.846 7.765 -4.960
49 HA PRO 10 HA PRO 10 7.769 2.758 -2.559
50 HB2 PRO 10 1HB PRO 10 8.210 3.401 0.041
51 HB3 PRO 10 2HB PRO 10 8.947 4.280 -1.304
52 HG2 PRO 10 1HG PRO 10 6.542 4.990 0.332
53 HG3 PRO 10 2HG PRO 10 7.869 6.031 -0.219
54 HD2 PRO 10 1HD PRO 10 5.461 5.961 -1.457
55 HD3 PRO 10 2HD PRO 10 6.976 6.264 -2.331
56 H TYR 11 H TYR 11 5.340 3.571 -0.070
57 HA TYR 11 HA TYR 11 5.235 0.894 0.928
58 HB2 TYR 11 1HB TYR 11 3.239 3.116 1.391
59 HB3 TYR 11 2HB TYR 11 3.493 1.691 2.392
60 HD1 TYR 11 HD2 TYR 11 4.847 4.964 1.422
61 HD2 TYR 11 HD1 TYR 11 5.331 1.576 3.950
62 HE1 TYR 11 HE2 TYR 11 6.471 6.216 2.779
63 HE2 TYR 11 HE1 TYR 11 6.955 2.819 5.315
64 HH TYR 11 HH TYR 11 7.377 6.170 5.072
65 H VAL 12 H VAL 12 3.789 -0.707 0.524
66 HA VAL 12 HA VAL 12 1.500 -0.186 -1.208
67 HB VAL 12 HB VAL 12 3.664 -2.174 -1.903
68 HG11 VAL 12 1HG1 VAL 12 0.876 -2.362 -2.343
69 HG12 VAL 12 2HG1 VAL 12 1.637 -2.003 -3.894
70 HG13 VAL 12 3HG1 VAL 12 2.154 -3.408 -2.961
71 HG21 VAL 12 3HG2 VAL 12 3.864 0.313 -2.531
72 HG22 VAL 12 1HG2 VAL 12 4.088 -0.889 -3.802
73 HG23 VAL 12 2HG2 VAL 12 2.560 -0.018 -3.672
74 H CYS 13 H CYS 13 -0.093 -0.919 0.049
75 HA CYS 13 HA CYS 13 -0.090 -2.632 2.127
76 HB2 CYS 13 1HB CYS 13 -2.071 -1.373 1.179
77 HB3 CYS 13 2HB CYS 13 -2.274 -2.702 0.042
78 H SER 14 H SER 14 -0.135 -4.807 2.519
79 HA SER 14 HA SER 14 0.588 -6.521 0.248
80 HB2 SER 14 1HB SER 14 2.182 -6.419 2.146
81 HB3 SER 14 2HB SER 14 0.924 -7.040 3.213
82 HG SER 14 HG SER 14 1.229 -8.980 2.441
83 H ASP 15 H ASP 15 -2.167 -5.654 1.243
84 HA ASP 15 HA ASP 15 -3.294 -8.348 1.634
85 HB2 ASP 15 1HB ASP 15 -4.047 -5.673 2.698
86 HB3 ASP 15 2HB ASP 15 -5.355 -6.793 2.330
87 H CYS 16 H CYS 16 -3.674 -5.285 -0.087
88 HA CYS 16 HA CYS 16 -5.374 -6.687 -2.045
89 HB2 CYS 16 1HB CYS 16 -6.356 -4.426 -2.542
90 HB3 CYS 16 2HB CYS 16 -6.737 -5.056 -0.943
91 H GLY 17 H GLY 17 -3.045 -4.031 -1.623
92 HA2 GLY 17 1HA GLY 17 -1.057 -4.214 -3.132
93 HA3 GLY 17 2HA GLY 17 -2.218 -4.458 -4.429
94 H LYS 18 H LYS 18 -2.784 -2.176 -1.851
95 HA LYS 18 HA LYS 18 -2.850 -0.022 -3.806
96 HB2 LYS 18 1HB LYS 18 -4.589 -0.512 -1.915
97 HB3 LYS 18 2HB LYS 18 -3.441 0.336 -0.888
98 HG2 LYS 18 1HG LYS 18 -3.634 2.326 -2.205
99 HG3 LYS 18 2HG LYS 18 -4.620 1.489 -3.406
100 HD2 LYS 18 1HD LYS 18 -6.423 1.243 -1.862
101 HD3 LYS 18 2HD LYS 18 -5.426 1.807 -0.520
102 HE2 LYS 18 1HE LYS 18 -5.221 4.000 -1.708
103 HE3 LYS 18 2HE LYS 18 -6.399 3.410 -2.880
104 HZ1 LYS 18 3HZ LYS 18 -7.174 4.804 -0.856
105 HZ2 LYS 18 1HZ LYS 18 -7.054 3.341 -0.015
106 HZ3 LYS 18 2HZ LYS 18 -8.087 3.468 -1.348
107 H ALA 19 H ALA 19 -1.459 1.663 -3.894
108 HA ALA 19 HA ALA 19 0.918 1.497 -2.191
109 HB1 ALA 19 3HB ALA 19 0.675 3.316 -4.554
110 HB2 ALA 19 1HB ALA 19 2.113 2.560 -3.866
111 HB3 ALA 19 2HB ALA 19 0.957 1.590 -4.779
112 H PHE 20 H PHE 20 1.542 3.098 -0.832
113 HA PHE 20 HA PHE 20 -0.132 5.518 -0.726
114 HB2 PHE 20 1HB PHE 20 0.928 3.930 1.622
115 HB3 PHE 20 2HB PHE 20 0.077 5.466 1.740
116 HD1 PHE 20 HD1 PHE 20 -2.310 5.607 1.249
117 HD2 PHE 20 HD2 PHE 20 -0.239 1.889 1.175
118 HE1 PHE 20 HE1 PHE 20 -4.460 4.411 1.322
119 HE2 PHE 20 HE2 PHE 20 -2.385 0.688 1.246
120 HZ PHE 20 HZ PHE 20 -4.499 1.949 1.319
121 H THR 21 H THR 21 0.889 7.439 -0.248
122 HA THR 21 HA THR 21 3.697 7.543 -0.825
123 HB THR 21 HB THR 21 1.883 9.791 0.072
124 HG1 THR 21 HG1 THR 21 2.106 10.136 -2.383
125 HG21 THR 21 3HG2 THR 21 4.652 9.724 -0.247
126 HG22 THR 21 1HG2 THR 21 3.633 11.160 -0.152
127 HG23 THR 21 2HG2 THR 21 4.046 10.473 -1.724
128 H PHE 22 H PHE 22 1.684 8.190 2.023
129 HA PHE 22 HA PHE 22 4.136 8.328 3.645
130 HB2 PHE 22 1HB PHE 22 1.372 9.432 4.178
131 HB3 PHE 22 2HB PHE 22 2.687 9.456 5.349
132 HD1 PHE 22 HD1 PHE 22 4.972 10.425 4.244
133 HD2 PHE 22 HD2 PHE 22 0.997 11.394 3.072
134 HE1 PHE 22 HE1 PHE 22 5.772 12.553 3.303
135 HE2 PHE 22 HE2 PHE 22 1.790 13.523 2.129
136 HZ PHE 22 HZ PHE 22 4.180 14.105 2.243
137 H LYS 23 H LYS 23 4.507 6.829 5.160
138 HA LYS 23 HA LYS 23 3.278 4.385 5.233
139 HB2 LYS 23 1HB LYS 23 5.465 5.035 6.313
140 HB3 LYS 23 2HB LYS 23 4.531 5.688 7.652
141 HG2 LYS 23 1HG LYS 23 3.729 3.558 8.263
142 HG3 LYS 23 2HG LYS 23 4.282 2.834 6.751
143 HD2 LYS 23 1HD LYS 23 5.953 2.150 8.161
144 HD3 LYS 23 2HD LYS 23 6.630 3.681 7.600
145 HE2 LYS 23 1HE LYS 23 6.919 3.935 9.850
146 HE3 LYS 23 2HE LYS 23 5.305 4.624 9.680
147 HZ1 LYS 23 3HZ LYS 23 4.940 1.913 10.042
148 HZ2 LYS 23 1HZ LYS 23 4.631 3.143 11.163
149 HZ3 LYS 23 2HZ LYS 23 6.127 2.355 11.164
150 H SER 24 H SER 24 2.653 7.113 7.434
151 HA SER 24 HA SER 24 0.819 6.065 9.135
152 HB2 SER 24 1HB SER 24 1.669 8.496 8.931
153 HB3 SER 24 2HB SER 24 0.294 8.740 7.854
154 HG SER 24 HG SER 24 0.223 7.895 10.562
155 H GLN 25 H GLN 25 0.151 7.249 5.857
156 HA GLN 25 HA GLN 25 -2.604 6.910 5.828
157 HB2 GLN 25 1HB GLN 25 -0.580 6.633 3.606
158 HB3 GLN 25 2HB GLN 25 -2.318 6.617 3.338
159 HG2 GLN 25 1HG GLN 25 -2.239 8.879 4.643
160 HG3 GLN 25 2HG GLN 25 -0.545 8.864 4.154
161 HE21 GLN 25 1HE2 GLN 25 -3.641 9.721 3.278
162 HE22 GLN 25 2HE2 GLN 25 -3.378 9.993 1.593
163 H LEU 26 H LEU 26 -0.041 4.572 5.130
164 HA LEU 26 HA LEU 26 -1.765 2.464 4.350
165 HB2 LEU 26 1HB LEU 26 0.529 2.397 3.702
166 HB3 LEU 26 2HB LEU 26 1.063 2.492 5.379
167 HG LEU 26 HG LEU 26 0.047 0.228 5.736
168 HD11 LEU 26 1HD1 LEU 26 -0.456 0.544 2.810
169 HD12 LEU 26 2HD1 LEU 26 -1.505 -0.111 4.067
170 HD13 LEU 26 3HD1 LEU 26 -0.135 -1.055 3.481
171 HD21 LEU 26 3HD2 LEU 26 2.356 0.199 5.549
172 HD22 LEU 26 1HD2 LEU 26 2.329 0.722 3.865
173 HD23 LEU 26 2HD2 LEU 26 1.854 -0.924 4.284
174 H ILE 27 H ILE 27 0.058 2.950 7.380
175 HA ILE 27 HA ILE 27 -0.760 0.878 8.892
176 HB ILE 27 HB ILE 27 -0.653 3.746 9.833
177 HG12 ILE 27 1HG1 ILE 27 1.484 1.636 10.100
178 HG13 ILE 27 2HG1 ILE 27 1.401 2.707 8.705
179 HG21 ILE 27 1HG2 ILE 27 -0.523 2.964 12.042
180 HG22 ILE 27 2HG2 ILE 27 -1.845 2.053 11.315
181 HG23 ILE 27 3HG2 ILE 27 -0.266 1.297 11.527
182 HD11 ILE 27 3HD1 ILE 27 2.031 3.350 11.548
183 HD12 ILE 27 1HD1 ILE 27 2.908 3.775 10.078
184 HD13 ILE 27 2HD1 ILE 27 1.397 4.595 10.472
185 H VAL 28 H VAL 28 -2.698 3.722 8.114
186 HA VAL 28 HA VAL 28 -4.910 2.938 9.765
187 HB VAL 28 HB VAL 28 -4.754 4.985 7.548
188 HG11 VAL 28 1HG1 VAL 28 -6.864 5.794 8.223
189 HG12 VAL 28 2HG1 VAL 28 -7.050 4.045 8.082
190 HG13 VAL 28 3HG1 VAL 28 -6.873 4.789 9.672
191 HG21 VAL 28 3HG2 VAL 28 -4.639 6.615 9.365
192 HG22 VAL 28 1HG2 VAL 28 -4.656 5.305 10.547
193 HG23 VAL 28 2HG2 VAL 28 -3.291 5.480 9.444
194 H HIS 29 H HIS 29 -4.163 2.799 6.306
195 HA HIS 29 HA HIS 29 -6.631 1.829 5.411
196 HB2 HIS 29 1HB HIS 29 -5.130 2.610 3.762
197 HB3 HIS 29 2HB HIS 29 -3.830 1.569 4.334
198 HD1 HIS 29 HD1 HIS 29 -7.084 1.412 2.430
199 HD2 HIS 29 HD2 HIS 29 -3.732 -0.926 3.182
200 HE1 HIS 29 HE1 HIS 29 -7.278 -0.560 0.881
201 H GLN 30 H GLN 30 -3.718 0.084 6.450
202 HA GLN 30 HA GLN 30 -4.446 -2.504 5.914
203 HB2 GLN 30 1HB GLN 30 -3.036 -1.546 8.411
204 HB3 GLN 30 2HB GLN 30 -2.992 -3.179 7.761
205 HG2 GLN 30 1HG GLN 30 -1.803 -2.437 5.817
206 HG3 GLN 30 2HG GLN 30 -1.974 -0.752 6.306
207 HE21 GLN 30 1HE2 GLN 30 0.383 -2.549 5.821
208 HE22 GLN 30 2HE2 GLN 30 1.356 -2.377 7.238
209 H GLY 31 H GLY 31 -5.902 -0.342 8.137
210 HA2 GLY 31 1HA GLY 31 -7.101 -2.415 9.772
211 HA3 GLY 31 2HA GLY 31 -7.385 -0.685 9.900
212 H ILE 32 H ILE 32 -7.655 -2.035 6.761
213 HA ILE 32 HA ILE 32 -10.587 -1.842 6.957
214 HB ILE 32 HB ILE 32 -10.659 -1.280 4.629
215 HG12 ILE 32 1HG1 ILE 32 -8.233 -0.880 3.583
216 HG13 ILE 32 2HG1 ILE 32 -7.821 -2.181 4.695
217 HG21 ILE 32 1HG2 ILE 32 -9.157 0.265 6.544
218 HG22 ILE 32 2HG2 ILE 32 -8.635 0.618 4.898
219 HG23 ILE 32 3HG2 ILE 32 -10.332 0.800 5.343
220 HD11 ILE 32 3HD1 ILE 32 -10.091 -2.411 2.752
221 HD12 ILE 32 1HD1 ILE 32 -8.432 -2.823 2.320
222 HD13 ILE 32 2HD1 ILE 32 -9.247 -3.693 3.620
223 H HIS 33 H HIS 33 -8.125 -4.045 6.742
224 HA HIS 33 HA HIS 33 -9.670 -5.947 5.127
225 HB2 HIS 33 1HB HIS 33 -6.811 -6.064 6.109
226 HB3 HIS 33 2HB HIS 33 -7.596 -7.316 5.152
227 HD1 HIS 33 HD1 HIS 33 -8.744 -6.078 2.820
228 HD2 HIS 33 HD2 HIS 33 -5.285 -4.524 4.518
229 HE1 HIS 33 HE1 HIS 33 -7.646 -4.734 1.000
230 H THR 34 H THR 34 -10.430 -5.180 7.837
231 HA THR 34 HA THR 34 -9.775 -7.476 9.488
232 HB THR 34 HB THR 34 -11.134 -6.400 11.215
233 HG1 THR 34 HG1 THR 34 -12.370 -4.664 10.788
234 HG21 THR 34 3HG2 THR 34 -8.754 -5.700 10.795
235 HG22 THR 34 1HG2 THR 34 -9.748 -4.498 11.616
236 HG23 THR 34 2HG2 THR 34 -9.391 -4.322 9.898
237 H GLY 35 H GLY 35 -12.616 -6.100 7.869
238 HA2 GLY 35 1HA GLY 35 -13.832 -8.360 7.031
239 HA3 GLY 35 2HA GLY 35 -14.311 -8.284 8.720
240 H VAL 36 H VAL 36 -14.536 -6.714 5.595
241 HA VAL 36 HA VAL 36 -16.945 -5.318 6.554
242 HB VAL 36 HB VAL 36 -14.881 -4.183 4.660
243 HG11 VAL 36 1HG1 VAL 36 -17.663 -3.422 5.310
244 HG12 VAL 36 2HG1 VAL 36 -16.484 -2.112 5.216
245 HG13 VAL 36 3HG1 VAL 36 -16.734 -3.177 3.832
246 HG21 VAL 36 3HG2 VAL 36 -13.900 -3.741 6.660
247 HG22 VAL 36 1HG2 VAL 36 -15.033 -2.390 6.634
248 HG23 VAL 36 2HG2 VAL 36 -15.417 -3.846 7.553
249 H SER 37 H SER 37 -18.691 -5.369 5.223
250 HA SER 37 HA SER 37 -18.606 -7.238 3.024
251 HB2 SER 37 1HB SER 37 -20.499 -6.859 4.814
252 HB3 SER 37 2HB SER 37 -21.037 -5.617 3.684
253 HG SER 37 HG SER 37 -20.982 -7.312 2.056
254 H GLY 38 H GLY 38 -18.476 -6.766 0.923
255 HA2 GLY 38 1HA GLY 38 -19.326 -5.285 -0.884
256 HA3 GLY 38 2HA GLY 38 -18.831 -3.939 0.132
257 HA PRO 39 HA PRO 39 -14.865 -6.115 -1.669
258 HB2 PRO 39 1HB PRO 39 -15.303 -7.500 -3.962
259 HB3 PRO 39 2HB PRO 39 -15.360 -8.249 -2.362
260 HG2 PRO 39 1HG PRO 39 -17.613 -7.304 -4.093
261 HG3 PRO 39 2HG PRO 39 -17.482 -8.795 -3.141
262 HD2 PRO 39 1HD PRO 39 -18.882 -6.640 -2.288
263 HD3 PRO 39 2HD PRO 39 -18.042 -7.736 -1.172
264 H SER 40 H SER 40 -17.465 -4.792 -3.587
265 HA SER 40 HA SER 40 -17.540 -3.230 -5.241
266 HB2 SER 40 1HB SER 40 -16.147 -2.085 -3.340
267 HB3 SER 40 2HB SER 40 -14.801 -2.281 -4.463
268 HG SER 40 HG SER 40 -17.169 -1.202 -5.464
269 H SER 41 H SER 41 -16.795 -5.654 -6.175
270 HA SER 41 HA SER 41 -14.845 -4.954 -8.262
271 HB2 SER 41 1HB SER 41 -14.001 -7.285 -8.210
272 HB3 SER 41 2HB SER 41 -13.709 -6.436 -6.692
273 HG SER 41 HG SER 41 -15.775 -8.305 -7.235
274 H GLY 42 H GLY 42 -15.584 -5.246 -10.265
275 HA2 GLY 42 1HA GLY 42 -16.941 -5.876 -12.005
276 HA3 GLY 42 2HA GLY 42 -17.140 -7.398 -11.150
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -11.065 3.375 -21.512
2 HA2 GLY 1 1HA GLY 1 -10.582 5.301 -19.911
3 HA3 GLY 1 2HA GLY 1 -10.493 3.696 -19.200
4 H SER 2 H SER 2 -8.364 5.785 -21.161
5 HA SER 2 HA SER 2 -5.928 4.841 -20.442
6 HB2 SER 2 1HB SER 2 -5.002 6.983 -20.968
7 HB3 SER 2 2HB SER 2 -6.424 6.783 -21.992
8 HG SER 2 HG SER 2 -5.965 8.552 -19.914
9 H SER 3 H SER 3 -4.576 4.891 -18.722
10 HA SER 3 HA SER 3 -5.409 4.932 -16.158
11 HB2 SER 3 1HB SER 3 -3.080 5.421 -15.481
12 HB3 SER 3 2HB SER 3 -3.149 4.246 -16.795
13 HG SER 3 HG SER 3 -2.620 5.902 -18.238
14 H GLY 4 H GLY 4 -5.317 6.426 -14.398
15 HA2 GLY 4 1HA GLY 4 -5.163 9.266 -15.096
16 HA3 GLY 4 2HA GLY 4 -6.682 8.672 -14.442
17 H SER 5 H SER 5 -3.419 7.685 -13.511
18 HA SER 5 HA SER 5 -3.302 9.294 -11.173
19 HB2 SER 5 1HB SER 5 -5.102 7.533 -10.634
20 HB3 SER 5 2HB SER 5 -3.772 6.376 -10.584
21 HG SER 5 HG SER 5 -3.700 7.039 -8.572
22 H SER 6 H SER 6 -1.191 9.686 -11.250
23 HA SER 6 HA SER 6 0.641 7.391 -11.504
24 HB2 SER 6 1HB SER 6 0.790 10.133 -12.731
25 HB3 SER 6 2HB SER 6 2.253 9.185 -12.464
26 HG SER 6 HG SER 6 1.315 7.532 -13.740
27 H GLY 7 H GLY 7 1.949 7.085 -9.827
28 HA2 GLY 7 1HA GLY 7 3.313 9.102 -8.433
29 HA3 GLY 7 2HA GLY 7 1.868 8.692 -7.521
30 H GLU 8 H GLU 8 4.977 7.584 -8.635
31 HA GLU 8 HA GLU 8 4.828 4.926 -7.712
32 HB2 GLU 8 1HB GLU 8 6.606 6.161 -9.211
33 HB3 GLU 8 2HB GLU 8 7.411 6.433 -7.671
34 HG2 GLU 8 1HG GLU 8 6.531 3.685 -8.435
35 HG3 GLU 8 2HG GLU 8 8.019 4.360 -9.097
36 H LYS 9 H LYS 9 3.979 4.777 -5.665
37 HA LYS 9 HA LYS 9 5.263 6.237 -3.489
38 HB2 LYS 9 1HB LYS 9 2.734 4.667 -3.779
39 HB3 LYS 9 2HB LYS 9 3.424 4.881 -2.176
40 HG2 LYS 9 1HG LYS 9 3.122 7.188 -2.219
41 HG3 LYS 9 2HG LYS 9 2.948 7.226 -3.975
42 HD2 LYS 9 1HD LYS 9 0.973 5.665 -2.385
43 HD3 LYS 9 2HD LYS 9 0.855 7.426 -2.377
44 HE2 LYS 9 1HE LYS 9 0.599 7.498 -4.742
45 HE3 LYS 9 2HE LYS 9 1.014 5.792 -4.901
46 HZ1 LYS 9 3HZ LYS 9 -1.270 5.774 -5.055
47 HZ2 LYS 9 1HZ LYS 9 -1.480 7.006 -3.915
48 HZ3 LYS 9 2HZ LYS 9 -1.046 5.452 -3.410
49 HA PRO 10 HA PRO 10 7.834 2.874 -2.281
50 HB2 PRO 10 1HB PRO 10 8.184 3.513 0.334
51 HB3 PRO 10 2HB PRO 10 8.962 4.397 -0.983
52 HG2 PRO 10 1HG PRO 10 6.500 5.094 0.570
53 HG3 PRO 10 2HG PRO 10 7.840 6.142 0.068
54 HD2 PRO 10 1HD PRO 10 5.477 6.065 -1.252
55 HD3 PRO 10 2HD PRO 10 7.020 6.376 -2.073
56 H TYR 11 H TYR 11 5.317 3.672 0.124
57 HA TYR 11 HA TYR 11 5.188 0.985 1.102
58 HB2 TYR 11 1HB TYR 11 3.194 3.216 1.530
59 HB3 TYR 11 2HB TYR 11 3.397 1.774 2.518
60 HD1 TYR 11 HD2 TYR 11 4.814 5.047 1.648
61 HD2 TYR 11 HD1 TYR 11 5.188 1.611 4.128
62 HE1 TYR 11 HE2 TYR 11 6.407 6.259 3.077
63 HE2 TYR 11 HE1 TYR 11 6.781 2.814 5.565
64 HH TYR 11 HH TYR 11 8.288 4.692 5.474
65 H VAL 12 H VAL 12 3.897 -0.645 0.495
66 HA VAL 12 HA VAL 12 1.633 -0.086 -1.286
67 HB VAL 12 HB VAL 12 3.733 -2.193 -1.812
68 HG11 VAL 12 1HG1 VAL 12 1.611 -1.617 -3.785
69 HG12 VAL 12 2HG1 VAL 12 2.397 -3.142 -3.373
70 HG13 VAL 12 3HG1 VAL 12 1.122 -2.498 -2.338
71 HG21 VAL 12 3HG2 VAL 12 3.754 0.490 -2.485
72 HG22 VAL 12 1HG2 VAL 12 4.704 -0.787 -3.245
73 HG23 VAL 12 2HG2 VAL 12 3.156 -0.306 -3.941
74 H CYS 13 H CYS 13 -0.099 -0.851 -0.280
75 HA CYS 13 HA CYS 13 -0.298 -2.444 1.893
76 HB2 CYS 13 1HB CYS 13 -2.168 -1.271 0.609
77 HB3 CYS 13 2HB CYS 13 -2.248 -2.717 -0.391
78 H SER 14 H SER 14 0.166 -4.476 2.407
79 HA SER 14 HA SER 14 0.910 -6.331 0.283
80 HB2 SER 14 1HB SER 14 2.290 -5.863 2.430
81 HB3 SER 14 2HB SER 14 1.121 -6.915 3.227
82 HG SER 14 HG SER 14 2.464 -7.714 0.876
83 H ASP 15 H ASP 15 -1.901 -5.636 0.834
84 HA ASP 15 HA ASP 15 -2.885 -8.350 1.418
85 HB2 ASP 15 1HB ASP 15 -3.807 -5.713 2.445
86 HB3 ASP 15 2HB ASP 15 -5.041 -6.915 2.076
87 H CYS 16 H CYS 16 -3.398 -5.337 -0.349
88 HA CYS 16 HA CYS 16 -5.031 -6.839 -2.289
89 HB2 CYS 16 1HB CYS 16 -6.063 -4.620 -2.859
90 HB3 CYS 16 2HB CYS 16 -6.433 -5.202 -1.239
91 H GLY 17 H GLY 17 -2.703 -4.186 -1.900
92 HA2 GLY 17 1HA GLY 17 -0.730 -4.443 -3.445
93 HA3 GLY 17 2HA GLY 17 -1.929 -4.579 -4.723
94 H LYS 18 H LYS 18 -2.995 -2.413 -2.421
95 HA LYS 18 HA LYS 18 -2.832 -0.198 -4.159
96 HB2 LYS 18 1HB LYS 18 -3.687 -0.643 -1.344
97 HB3 LYS 18 2HB LYS 18 -3.340 1.012 -1.829
98 HG2 LYS 18 1HG LYS 18 -5.103 1.102 -3.290
99 HG3 LYS 18 2HG LYS 18 -5.125 -0.645 -3.542
100 HD2 LYS 18 1HD LYS 18 -5.832 -0.775 -1.068
101 HD3 LYS 18 2HD LYS 18 -6.204 0.943 -1.236
102 HE2 LYS 18 1HE LYS 18 -7.901 0.556 -2.764
103 HE3 LYS 18 2HE LYS 18 -7.264 -1.021 -3.226
104 HZ1 LYS 18 3HZ LYS 18 -7.866 -1.774 -0.933
105 HZ2 LYS 18 1HZ LYS 18 -9.182 -1.401 -1.928
106 HZ3 LYS 18 2HZ LYS 18 -8.694 -0.313 -0.729
107 H ALA 19 H ALA 19 -1.993 1.991 -3.010
108 HA ALA 19 HA ALA 19 0.704 1.554 -1.956
109 HB1 ALA 19 3HB ALA 19 1.765 2.932 -3.555
110 HB2 ALA 19 1HB ALA 19 0.764 1.804 -4.470
111 HB3 ALA 19 2HB ALA 19 0.224 3.466 -4.227
112 H PHE 20 H PHE 20 1.643 3.461 -0.973
113 HA PHE 20 HA PHE 20 -0.052 5.759 -0.527
114 HB2 PHE 20 1HB PHE 20 0.690 3.936 1.772
115 HB3 PHE 20 2HB PHE 20 -0.060 5.521 1.933
116 HD1 PHE 20 HD2 PHE 20 -0.567 2.061 0.801
117 HD2 PHE 20 HD1 PHE 20 -2.387 5.834 1.553
118 HE1 PHE 20 HE2 PHE 20 -2.789 1.022 0.615
119 HE2 PHE 20 HE1 PHE 20 -4.613 4.801 1.369
120 HZ PHE 20 HZ PHE 20 -4.816 2.392 0.898
121 H THR 21 H THR 21 1.128 7.546 -0.164
122 HA THR 21 HA THR 21 3.943 7.456 -0.415
123 HB THR 21 HB THR 21 2.314 9.801 0.571
124 HG1 THR 21 HG1 THR 21 3.017 9.335 -2.132
125 HG21 THR 21 3HG2 THR 21 4.692 10.087 -1.177
126 HG22 THR 21 1HG2 THR 21 4.979 9.625 0.500
127 HG23 THR 21 2HG2 THR 21 4.118 11.120 0.132
128 H PHE 22 H PHE 22 1.830 8.209 2.345
129 HA PHE 22 HA PHE 22 4.162 8.095 4.119
130 HB2 PHE 22 1HB PHE 22 1.344 8.990 4.755
131 HB3 PHE 22 2HB PHE 22 2.759 9.164 5.788
132 HD1 PHE 22 HD1 PHE 22 4.641 10.656 5.006
133 HD2 PHE 22 HD2 PHE 22 0.800 10.617 3.171
134 HE1 PHE 22 HE1 PHE 22 5.099 12.858 4.008
135 HE2 PHE 22 HE2 PHE 22 1.253 12.819 2.170
136 HZ PHE 22 HZ PHE 22 3.405 13.942 2.587
137 H LYS 23 H LYS 23 4.412 6.554 5.647
138 HA LYS 23 HA LYS 23 3.243 4.063 5.389
139 HB2 LYS 23 1HB LYS 23 5.360 4.690 6.653
140 HB3 LYS 23 2HB LYS 23 4.315 5.137 7.996
141 HG2 LYS 23 1HG LYS 23 3.516 2.888 8.202
142 HG3 LYS 23 2HG LYS 23 4.373 2.403 6.737
143 HD2 LYS 23 1HD LYS 23 5.806 1.662 8.389
144 HD3 LYS 23 2HD LYS 23 6.478 3.252 8.020
145 HE2 LYS 23 1HE LYS 23 4.951 4.096 9.913
146 HE3 LYS 23 2HE LYS 23 4.829 2.400 10.378
147 HZ1 LYS 23 3HZ LYS 23 6.595 3.195 11.626
148 HZ2 LYS 23 1HZ LYS 23 7.211 4.141 10.366
149 HZ3 LYS 23 2HZ LYS 23 7.372 2.458 10.317
150 H SER 24 H SER 24 2.444 6.614 7.736
151 HA SER 24 HA SER 24 0.516 5.366 9.221
152 HB2 SER 24 1HB SER 24 0.719 8.220 8.273
153 HB3 SER 24 2HB SER 24 -0.578 7.692 9.344
154 HG SER 24 HG SER 24 2.070 7.061 10.007
155 H GLN 25 H GLN 25 -0.046 7.167 6.197
156 HA GLN 25 HA GLN 25 -2.757 6.804 5.938
157 HB2 GLN 25 1HB GLN 25 -0.558 6.985 3.900
158 HB3 GLN 25 2HB GLN 25 -2.230 6.767 3.400
159 HG2 GLN 25 1HG GLN 25 -1.408 8.993 5.230
160 HG3 GLN 25 2HG GLN 25 -1.310 9.140 3.476
161 HE21 GLN 25 1HE2 GLN 25 -3.282 8.874 2.260
162 HE22 GLN 25 2HE2 GLN 25 -4.792 9.310 2.977
163 H LEU 26 H LEU 26 -0.173 4.531 5.210
164 HA LEU 26 HA LEU 26 -1.893 2.592 3.992
165 HB2 LEU 26 1HB LEU 26 0.358 2.533 3.319
166 HB3 LEU 26 2HB LEU 26 0.939 2.545 4.983
167 HG LEU 26 HG LEU 26 0.056 0.242 5.256
168 HD11 LEU 26 1HD1 LEU 26 -1.180 -0.789 3.716
169 HD12 LEU 26 2HD1 LEU 26 -0.114 -0.291 2.403
170 HD13 LEU 26 3HD1 LEU 26 -1.378 0.799 2.974
171 HD21 LEU 26 3HD2 LEU 26 1.951 -0.721 4.417
172 HD22 LEU 26 1HD2 LEU 26 2.418 0.978 4.338
173 HD23 LEU 26 2HD2 LEU 26 1.853 0.151 2.886
174 H ILE 27 H ILE 27 -0.159 2.699 7.107
175 HA ILE 27 HA ILE 27 -1.031 0.386 8.259
176 HB ILE 27 HB ILE 27 -0.752 3.060 9.635
177 HG12 ILE 27 1HG1 ILE 27 1.249 0.805 9.521
178 HG13 ILE 27 2HG1 ILE 27 1.235 2.111 8.341
179 HG21 ILE 27 1HG2 ILE 27 -0.108 1.177 11.488
180 HG22 ILE 27 2HG2 ILE 27 -1.678 1.969 11.361
181 HG23 ILE 27 3HG2 ILE 27 -1.427 0.387 10.624
182 HD11 ILE 27 3HD1 ILE 27 1.862 3.699 9.913
183 HD12 ILE 27 1HD1 ILE 27 1.377 2.685 11.272
184 HD13 ILE 27 2HD1 ILE 27 2.821 2.282 10.343
185 H VAL 28 H VAL 28 -2.812 3.417 7.965
186 HA VAL 28 HA VAL 28 -5.033 2.597 9.548
187 HB VAL 28 HB VAL 28 -4.869 4.757 7.441
188 HG11 VAL 28 1HG1 VAL 28 -7.156 3.714 8.407
189 HG12 VAL 28 2HG1 VAL 28 -6.829 4.937 9.637
190 HG13 VAL 28 3HG1 VAL 28 -6.972 5.405 7.942
191 HG21 VAL 28 3HG2 VAL 28 -4.397 6.282 9.185
192 HG22 VAL 28 1HG2 VAL 28 -4.759 5.086 10.429
193 HG23 VAL 28 2HG2 VAL 28 -3.312 4.914 9.434
194 H HIS 29 H HIS 29 -4.425 2.706 6.053
195 HA HIS 29 HA HIS 29 -6.917 1.911 5.138
196 HB2 HIS 29 1HB HIS 29 -5.419 2.595 3.479
197 HB3 HIS 29 2HB HIS 29 -4.137 1.540 4.067
198 HD1 HIS 29 HD1 HIS 29 -7.578 1.147 2.482
199 HD2 HIS 29 HD2 HIS 29 -3.851 -0.688 2.567
200 HE1 HIS 29 HE1 HIS 29 -7.729 -0.757 0.846
201 H GLN 30 H GLN 30 -4.114 -0.174 5.854
202 HA GLN 30 HA GLN 30 -4.983 -2.639 5.299
203 HB2 GLN 30 1HB GLN 30 -3.635 -1.761 7.854
204 HB3 GLN 30 2HB GLN 30 -3.817 -3.444 7.379
205 HG2 GLN 30 1HG GLN 30 -2.443 -3.125 5.456
206 HG3 GLN 30 2HG GLN 30 -2.405 -1.381 5.710
207 HE21 GLN 30 1HE2 GLN 30 -0.050 -1.930 5.529
208 HE22 GLN 30 2HE2 GLN 30 0.784 -2.306 6.995
209 H GLY 31 H GLY 31 -6.169 -0.653 7.948
210 HA2 GLY 31 1HA GLY 31 -7.614 -2.526 9.395
211 HA3 GLY 31 2HA GLY 31 -8.060 -0.834 9.237
212 H ILE 32 H ILE 32 -8.689 -0.645 6.576
213 HA ILE 32 HA ILE 32 -11.315 -1.340 6.417
214 HB ILE 32 HB ILE 32 -11.239 -1.001 4.057
215 HG12 ILE 32 1HG1 ILE 32 -8.758 -0.745 3.103
216 HG13 ILE 32 2HG1 ILE 32 -8.423 -1.922 4.368
217 HG21 ILE 32 1HG2 ILE 32 -10.723 0.929 5.583
218 HG22 ILE 32 2HG2 ILE 32 -9.023 0.695 5.182
219 HG23 ILE 32 3HG2 ILE 32 -10.177 1.118 3.917
220 HD11 ILE 32 3HD1 ILE 32 -8.855 -3.323 2.638
221 HD12 ILE 32 1HD1 ILE 32 -10.489 -3.146 3.276
222 HD13 ILE 32 2HD1 ILE 32 -9.985 -2.209 1.869
223 H HIS 33 H HIS 33 -8.554 -3.381 5.771
224 HA HIS 33 HA HIS 33 -10.034 -5.483 4.515
225 HB2 HIS 33 1HB HIS 33 -7.262 -5.325 5.691
226 HB3 HIS 33 2HB HIS 33 -7.912 -6.814 5.013
227 HD1 HIS 33 HD1 HIS 33 -9.133 -6.015 2.443
228 HD2 HIS 33 HD2 HIS 33 -5.624 -4.275 3.827
229 HE1 HIS 33 HE1 HIS 33 -7.992 -5.087 0.402
230 H THR 34 H THR 34 -8.391 -5.318 7.680
231 HA THR 34 HA THR 34 -9.828 -7.611 8.654
232 HB THR 34 HB THR 34 -7.711 -7.498 9.595
233 HG1 THR 34 HG1 THR 34 -9.285 -6.127 11.536
234 HG21 THR 34 3HG2 THR 34 -8.202 -4.544 9.877
235 HG22 THR 34 1HG2 THR 34 -6.951 -5.363 8.943
236 HG23 THR 34 2HG2 THR 34 -6.875 -5.359 10.705
237 H GLY 35 H GLY 35 -11.681 -7.653 9.768
238 HA2 GLY 35 1HA GLY 35 -12.620 -5.882 11.639
239 HA3 GLY 35 2HA GLY 35 -13.190 -5.240 10.106
240 H VAL 36 H VAL 36 -14.094 -7.170 8.654
241 HA VAL 36 HA VAL 36 -16.551 -7.864 9.448
242 HB VAL 36 HB VAL 36 -16.255 -10.038 8.089
243 HG11 VAL 36 1HG1 VAL 36 -15.433 -7.800 6.363
244 HG12 VAL 36 2HG1 VAL 36 -16.843 -8.855 6.263
245 HG13 VAL 36 3HG1 VAL 36 -16.836 -7.495 7.387
246 HG21 VAL 36 3HG2 VAL 36 -13.857 -8.967 6.835
247 HG22 VAL 36 1HG2 VAL 36 -13.585 -9.500 8.494
248 HG23 VAL 36 2HG2 VAL 36 -14.246 -10.622 7.304
249 H SER 37 H SER 37 -17.595 -9.506 10.557
250 HA SER 37 HA SER 37 -16.037 -11.541 11.920
251 HB2 SER 37 1HB SER 37 -15.934 -9.566 13.431
252 HB3 SER 37 2HB SER 37 -17.696 -9.562 13.501
253 HG SER 37 HG SER 37 -17.397 -10.877 15.114
254 H GLY 38 H GLY 38 -17.256 -13.303 12.605
255 HA2 GLY 38 1HA GLY 38 -19.600 -14.035 13.194
256 HA3 GLY 38 2HA GLY 38 -20.062 -13.268 11.681
257 HA PRO 39 HA PRO 39 -19.331 -16.957 9.439
258 HB2 PRO 39 1HB PRO 39 -18.098 -16.095 7.179
259 HB3 PRO 39 2HB PRO 39 -19.809 -15.799 7.513
260 HG2 PRO 39 1HG PRO 39 -17.465 -13.972 7.873
261 HG3 PRO 39 2HG PRO 39 -19.071 -13.615 7.211
262 HD2 PRO 39 1HD PRO 39 -18.369 -12.985 9.749
263 HD3 PRO 39 2HD PRO 39 -20.028 -13.426 9.300
264 H SER 40 H SER 40 -17.755 -18.479 8.701
265 HA SER 40 HA SER 40 -15.135 -18.062 9.939
266 HB2 SER 40 1HB SER 40 -14.900 -20.548 9.631
267 HB3 SER 40 2HB SER 40 -16.247 -20.070 10.665
268 HG SER 40 HG SER 40 -16.350 -20.897 7.955
269 H SER 41 H SER 41 -13.830 -17.036 8.529
270 HA SER 41 HA SER 41 -13.884 -17.407 5.722
271 HB2 SER 41 1HB SER 41 -12.945 -15.418 7.074
272 HB3 SER 41 2HB SER 41 -11.484 -16.392 7.233
273 HG SER 41 HG SER 41 -11.126 -15.302 5.406
274 H GLY 42 H GLY 42 -11.696 -18.615 8.253
275 HA2 GLY 42 1HA GLY 42 -10.004 -20.066 6.517
276 HA3 GLY 42 2HA GLY 42 -10.170 -20.331 8.246
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -9.779 13.364 -12.132
2 HA2 GLY 1 1HA GLY 1 -8.446 14.170 -14.308
3 HA3 GLY 1 2HA GLY 1 -8.839 15.713 -13.562
4 H SER 2 H SER 2 -6.913 12.833 -13.364
5 HA SER 2 HA SER 2 -5.619 13.758 -10.910
6 HB2 SER 2 1HB SER 2 -4.431 11.565 -11.005
7 HB3 SER 2 2HB SER 2 -6.186 11.401 -10.958
8 HG SER 2 HG SER 2 -4.963 10.104 -12.568
9 H SER 3 H SER 3 -3.907 15.031 -11.044
10 HA SER 3 HA SER 3 -2.358 15.095 -13.529
11 HB2 SER 3 1HB SER 3 -3.337 17.204 -12.434
12 HB3 SER 3 2HB SER 3 -2.070 17.016 -11.222
13 HG SER 3 HG SER 3 -1.906 17.922 -13.793
14 H GLY 4 H GLY 4 -0.211 14.620 -13.629
15 HA2 GLY 4 1HA GLY 4 1.809 14.599 -11.937
16 HA3 GLY 4 2HA GLY 4 0.899 13.236 -11.303
17 H SER 5 H SER 5 3.149 14.284 -13.623
18 HA SER 5 HA SER 5 2.879 12.483 -15.700
19 HB2 SER 5 1HB SER 5 5.189 13.927 -14.487
20 HB3 SER 5 2HB SER 5 5.539 12.632 -15.632
21 HG SER 5 HG SER 5 5.064 14.001 -17.138
22 H SER 6 H SER 6 4.533 12.038 -12.597
23 HA SER 6 HA SER 6 4.127 9.182 -12.763
24 HB2 SER 6 1HB SER 6 6.206 9.316 -13.978
25 HB3 SER 6 2HB SER 6 6.911 10.368 -12.751
26 HG SER 6 HG SER 6 7.635 8.292 -12.385
27 H GLY 7 H GLY 7 3.402 8.638 -10.823
28 HA2 GLY 7 1HA GLY 7 4.674 9.855 -8.457
29 HA3 GLY 7 2HA GLY 7 2.923 9.787 -8.590
30 H GLU 8 H GLU 8 5.846 7.827 -8.353
31 HA GLU 8 HA GLU 8 4.254 5.475 -7.672
32 HB2 GLU 8 1HB GLU 8 6.065 5.094 -9.223
33 HB3 GLU 8 2HB GLU 8 7.217 5.845 -8.128
34 HG2 GLU 8 1HG GLU 8 7.632 3.623 -7.772
35 HG3 GLU 8 2HG GLU 8 6.472 3.968 -6.490
36 H LYS 9 H LYS 9 3.685 5.190 -5.630
37 HA LYS 9 HA LYS 9 5.053 6.533 -3.478
38 HB2 LYS 9 1HB LYS 9 2.629 4.777 -3.680
39 HB3 LYS 9 2HB LYS 9 3.337 5.126 -2.108
40 HG2 LYS 9 1HG LYS 9 1.656 6.719 -2.364
41 HG3 LYS 9 2HG LYS 9 3.143 7.585 -2.755
42 HD2 LYS 9 1HD LYS 9 1.850 8.244 -4.518
43 HD3 LYS 9 2HD LYS 9 2.539 6.770 -5.202
44 HE2 LYS 9 1HE LYS 9 0.325 6.434 -5.669
45 HE3 LYS 9 2HE LYS 9 0.425 5.667 -4.085
46 HZ1 LYS 9 3HZ LYS 9 -0.107 8.368 -3.673
47 HZ2 LYS 9 1HZ LYS 9 -1.131 7.053 -3.384
48 HZ3 LYS 9 2HZ LYS 9 -1.168 7.841 -4.880
49 HA PRO 10 HA PRO 10 7.841 3.304 -2.393
50 HB2 PRO 10 1HB PRO 10 8.237 3.936 0.218
51 HB3 PRO 10 2HB PRO 10 8.925 4.874 -1.113
52 HG2 PRO 10 1HG PRO 10 6.479 5.420 0.524
53 HG3 PRO 10 2HG PRO 10 7.744 6.544 -0.007
54 HD2 PRO 10 1HD PRO 10 5.348 6.352 -1.254
55 HD3 PRO 10 2HD PRO 10 6.845 6.754 -2.119
56 H TYR 11 H TYR 11 5.332 3.940 0.067
57 HA TYR 11 HA TYR 11 5.390 1.248 1.042
58 HB2 TYR 11 1HB TYR 11 3.238 3.313 1.519
59 HB3 TYR 11 2HB TYR 11 3.627 1.919 2.522
60 HD1 TYR 11 HD2 TYR 11 4.639 5.309 1.559
61 HD2 TYR 11 HD1 TYR 11 5.520 1.960 4.032
62 HE1 TYR 11 HE2 TYR 11 6.160 6.704 2.897
63 HE2 TYR 11 HE1 TYR 11 7.042 3.347 5.378
64 HH TYR 11 HH TYR 11 7.351 5.764 5.902
65 H VAL 12 H VAL 12 4.040 -0.429 0.611
66 HA VAL 12 HA VAL 12 1.730 -0.027 -1.118
67 HB VAL 12 HB VAL 12 3.954 -1.934 -1.856
68 HG11 VAL 12 1HG1 VAL 12 2.392 -3.086 -2.937
69 HG12 VAL 12 2HG1 VAL 12 1.153 -1.910 -2.494
70 HG13 VAL 12 3HG1 VAL 12 2.115 -1.671 -3.953
71 HG21 VAL 12 3HG2 VAL 12 2.960 0.431 -3.429
72 HG22 VAL 12 1HG2 VAL 12 4.328 0.521 -2.320
73 HG23 VAL 12 2HG2 VAL 12 4.398 -0.546 -3.723
74 H CYS 13 H CYS 13 0.121 -1.026 -0.119
75 HA CYS 13 HA CYS 13 0.309 -2.793 1.988
76 HB2 CYS 13 1HB CYS 13 -1.765 -1.649 1.469
77 HB3 CYS 13 2HB CYS 13 -1.905 -2.520 -0.055
78 H SER 14 H SER 14 -0.312 -5.080 2.107
79 HA SER 14 HA SER 14 0.831 -6.580 -0.152
80 HB2 SER 14 1HB SER 14 1.795 -6.665 2.288
81 HB3 SER 14 2HB SER 14 0.452 -7.771 2.574
82 HG SER 14 HG SER 14 2.764 -8.363 1.529
83 H ASP 15 H ASP 15 -1.913 -6.343 2.015
84 HA ASP 15 HA ASP 15 -3.229 -8.721 1.371
85 HB2 ASP 15 1HB ASP 15 -3.759 -6.812 3.126
86 HB3 ASP 15 2HB ASP 15 -4.820 -6.237 1.842
87 H CYS 16 H CYS 16 -3.940 -5.473 0.071
88 HA CYS 16 HA CYS 16 -5.154 -6.749 -2.274
89 HB2 CYS 16 1HB CYS 16 -6.153 -4.540 -2.716
90 HB3 CYS 16 2HB CYS 16 -6.556 -5.126 -1.105
91 H GLY 17 H GLY 17 -2.745 -4.319 -1.359
92 HA2 GLY 17 1HA GLY 17 -0.654 -4.250 -2.587
93 HA3 GLY 17 2HA GLY 17 -1.558 -4.641 -4.041
94 H LYS 18 H LYS 18 -2.761 -2.314 -1.749
95 HA LYS 18 HA LYS 18 -2.762 -0.272 -3.786
96 HB2 LYS 18 1HB LYS 18 -4.628 -0.663 -2.120
97 HB3 LYS 18 2HB LYS 18 -3.571 0.019 -0.891
98 HG2 LYS 18 1HG LYS 18 -3.489 2.124 -2.100
99 HG3 LYS 18 2HG LYS 18 -4.500 1.444 -3.377
100 HD2 LYS 18 1HD LYS 18 -6.388 1.387 -2.022
101 HD3 LYS 18 2HD LYS 18 -5.442 1.450 -0.534
102 HE2 LYS 18 1HE LYS 18 -4.728 3.785 -1.325
103 HE3 LYS 18 2HE LYS 18 -6.071 3.665 -2.460
104 HZ1 LYS 18 3HZ LYS 18 -6.131 4.318 0.283
105 HZ2 LYS 18 1HZ LYS 18 -7.052 2.922 0.025
106 HZ3 LYS 18 2HZ LYS 18 -7.398 4.335 -0.838
107 H ALA 19 H ALA 19 -1.491 1.504 -3.916
108 HA ALA 19 HA ALA 19 0.898 1.541 -2.263
109 HB1 ALA 19 3HB ALA 19 1.812 2.175 -4.184
110 HB2 ALA 19 1HB ALA 19 0.222 2.362 -4.924
111 HB3 ALA 19 2HB ALA 19 0.951 3.708 -4.048
112 H PHE 20 H PHE 20 1.593 3.312 -1.039
113 HA PHE 20 HA PHE 20 -0.324 5.477 -0.590
114 HB2 PHE 20 1HB PHE 20 0.876 3.826 1.643
115 HB3 PHE 20 2HB PHE 20 -0.161 5.234 1.842
116 HD1 PHE 20 HD2 PHE 20 -0.040 1.722 0.765
117 HD2 PHE 20 HD1 PHE 20 -2.524 5.076 1.600
118 HE1 PHE 20 HE2 PHE 20 -2.020 0.262 0.722
119 HE2 PHE 20 HE1 PHE 20 -4.508 3.621 1.560
120 HZ PHE 20 HZ PHE 20 -4.257 1.211 1.119
121 H THR 21 H THR 21 0.610 7.416 -0.285
122 HA THR 21 HA THR 21 3.396 7.714 -0.736
123 HB THR 21 HB THR 21 1.477 9.812 0.293
124 HG1 THR 21 HG1 THR 21 1.241 10.307 -1.959
125 HG21 THR 21 3HG2 THR 21 3.773 10.409 -1.498
126 HG22 THR 21 1HG2 THR 21 4.122 10.062 0.195
127 HG23 THR 21 2HG2 THR 21 3.044 11.392 -0.229
128 H PHE 22 H PHE 22 1.358 7.967 2.143
129 HA PHE 22 HA PHE 22 3.791 8.263 3.774
130 HB2 PHE 22 1HB PHE 22 0.923 8.992 4.398
131 HB3 PHE 22 2HB PHE 22 2.247 9.096 5.554
132 HD1 PHE 22 HD2 PHE 22 1.192 10.327 2.208
133 HD2 PHE 22 HD1 PHE 22 3.479 11.045 5.725
134 HE1 PHE 22 HE2 PHE 22 1.707 12.595 1.406
135 HE2 PHE 22 HE1 PHE 22 3.997 13.315 4.929
136 HZ PHE 22 HZ PHE 22 3.112 14.092 2.766
137 H LYS 23 H LYS 23 4.168 6.894 5.488
138 HA LYS 23 HA LYS 23 3.280 4.251 5.282
139 HB2 LYS 23 1HB LYS 23 5.392 4.960 6.379
140 HB3 LYS 23 2HB LYS 23 4.453 5.611 7.716
141 HG2 LYS 23 1HG LYS 23 3.797 3.491 8.443
142 HG3 LYS 23 2HG LYS 23 4.235 2.733 6.910
143 HD2 LYS 23 1HD LYS 23 6.539 2.900 7.368
144 HD3 LYS 23 2HD LYS 23 6.277 4.047 8.683
145 HE2 LYS 23 1HE LYS 23 6.672 2.106 9.852
146 HE3 LYS 23 2HE LYS 23 4.913 2.082 9.734
147 HZ1 LYS 23 3HZ LYS 23 5.436 0.751 7.564
148 HZ2 LYS 23 1HZ LYS 23 5.418 -0.025 9.067
149 HZ3 LYS 23 2HZ LYS 23 6.890 0.412 8.358
150 H SER 24 H SER 24 2.344 6.790 7.590
151 HA SER 24 HA SER 24 0.613 5.391 9.195
152 HB2 SER 24 1HB SER 24 -0.605 7.564 9.496
153 HB3 SER 24 2HB SER 24 1.144 7.694 9.680
154 HG SER 24 HG SER 24 0.772 9.295 8.315
155 H GLN 25 H GLN 25 -0.106 6.910 6.069
156 HA GLN 25 HA GLN 25 -2.824 6.457 5.933
157 HB2 GLN 25 1HB GLN 25 -0.708 6.485 3.792
158 HB3 GLN 25 2HB GLN 25 -2.411 6.277 3.408
159 HG2 GLN 25 1HG GLN 25 -1.213 8.633 4.849
160 HG3 GLN 25 2HG GLN 25 -1.690 8.593 3.153
161 HE21 GLN 25 1HE2 GLN 25 -2.665 10.410 5.077
162 HE22 GLN 25 2HE2 GLN 25 -4.360 10.132 5.261
163 H LEU 26 H LEU 26 -0.180 4.252 5.110
164 HA LEU 26 HA LEU 26 -1.804 2.160 4.129
165 HB2 LEU 26 1HB LEU 26 0.490 2.146 3.560
166 HB3 LEU 26 2HB LEU 26 0.983 2.236 5.249
167 HG LEU 26 HG LEU 26 0.179 -0.062 5.590
168 HD11 LEU 26 1HD1 LEU 26 -1.497 -0.534 4.115
169 HD12 LEU 26 2HD1 LEU 26 -0.143 -1.304 3.289
170 HD13 LEU 26 3HD1 LEU 26 -0.700 0.287 2.772
171 HD21 LEU 26 3HD2 LEU 26 2.387 0.750 3.905
172 HD22 LEU 26 1HD2 LEU 26 1.847 -0.887 3.532
173 HD23 LEU 26 2HD2 LEU 26 2.328 -0.470 5.177
174 H ILE 27 H ILE 27 -0.172 2.523 7.280
175 HA ILE 27 HA ILE 27 -1.051 0.288 8.570
176 HB ILE 27 HB ILE 27 -0.869 3.052 9.774
177 HG12 ILE 27 1HG1 ILE 27 1.213 0.874 9.855
178 HG13 ILE 27 2HG1 ILE 27 1.171 2.075 8.569
179 HG21 ILE 27 1HG2 ILE 27 -0.251 1.477 11.809
180 HG22 ILE 27 2HG2 ILE 27 -1.919 1.921 11.451
181 HG23 ILE 27 3HG2 ILE 27 -1.294 0.354 10.937
182 HD11 ILE 27 3HD1 ILE 27 1.945 3.719 9.898
183 HD12 ILE 27 1HD1 ILE 27 1.107 3.112 11.327
184 HD13 ILE 27 2HD1 ILE 27 2.610 2.355 10.797
185 H VAL 28 H VAL 28 -2.824 3.344 8.222
186 HA VAL 28 HA VAL 28 -5.093 2.532 9.708
187 HB VAL 28 HB VAL 28 -4.883 4.644 7.557
188 HG11 VAL 28 1HG1 VAL 28 -7.115 3.674 9.159
189 HG12 VAL 28 2HG1 VAL 28 -6.855 5.413 9.309
190 HG13 VAL 28 3HG1 VAL 28 -7.111 4.692 7.720
191 HG21 VAL 28 3HG2 VAL 28 -4.771 6.186 9.534
192 HG22 VAL 28 1HG2 VAL 28 -4.548 4.761 10.548
193 HG23 VAL 28 2HG2 VAL 28 -3.354 5.159 9.312
194 H HIS 29 H HIS 29 -4.365 2.530 6.238
195 HA HIS 29 HA HIS 29 -6.835 1.718 5.266
196 HB2 HIS 29 1HB HIS 29 -5.335 2.335 3.605
197 HB3 HIS 29 2HB HIS 29 -4.021 1.387 4.296
198 HD1 HIS 29 HD1 HIS 29 -7.296 0.840 2.455
199 HD2 HIS 29 HD2 HIS 29 -3.641 -1.025 3.102
200 HE1 HIS 29 HE1 HIS 29 -7.304 -1.188 0.968
201 H GLN 30 H GLN 30 -4.059 -0.333 6.155
202 HA GLN 30 HA GLN 30 -4.867 -2.818 5.630
203 HB2 GLN 30 1HB GLN 30 -3.746 -1.904 8.283
204 HB3 GLN 30 2HB GLN 30 -3.796 -3.577 7.743
205 HG2 GLN 30 1HG GLN 30 -2.443 -2.808 5.736
206 HG3 GLN 30 2HG GLN 30 -2.186 -1.308 6.626
207 HE21 GLN 30 1HE2 GLN 30 0.020 -1.635 6.786
208 HE22 GLN 30 2HE2 GLN 30 0.708 -2.829 7.826
209 H GLY 31 H GLY 31 -6.196 -0.811 8.210
210 HA2 GLY 31 1HA GLY 31 -7.725 -2.634 9.596
211 HA3 GLY 31 2HA GLY 31 -8.194 -0.960 9.336
212 H ILE 32 H ILE 32 -8.741 -0.809 6.709
213 HA ILE 32 HA ILE 32 -11.303 -1.616 6.398
214 HB ILE 32 HB ILE 32 -11.112 -1.310 4.047
215 HG12 ILE 32 1HG1 ILE 32 -8.600 -1.049 3.193
216 HG13 ILE 32 2HG1 ILE 32 -8.299 -2.184 4.504
217 HG21 ILE 32 1HG2 ILE 32 -8.977 0.432 5.261
218 HG22 ILE 32 2HG2 ILE 32 -10.034 0.813 3.903
219 HG23 ILE 32 3HG2 ILE 32 -10.704 0.666 5.528
220 HD11 ILE 32 3HD1 ILE 32 -9.427 -3.880 3.477
221 HD12 ILE 32 1HD1 ILE 32 -10.473 -2.786 2.571
222 HD13 ILE 32 2HD1 ILE 32 -8.796 -3.016 2.075
223 H HIS 33 H HIS 33 -8.445 -3.577 5.926
224 HA HIS 33 HA HIS 33 -9.821 -5.760 4.679
225 HB2 HIS 33 1HB HIS 33 -7.091 -5.586 5.968
226 HB3 HIS 33 2HB HIS 33 -7.691 -6.999 5.103
227 HD1 HIS 33 HD1 HIS 33 -8.761 -5.967 2.561
228 HD2 HIS 33 HD2 HIS 33 -5.382 -4.311 4.323
229 HE1 HIS 33 HE1 HIS 33 -7.524 -4.819 0.697
230 H THR 34 H THR 34 -8.342 -5.338 7.897
231 HA THR 34 HA THR 34 -9.782 -7.665 8.885
232 HB THR 34 HB THR 34 -7.437 -7.370 9.551
233 HG1 THR 34 HG1 THR 34 -7.807 -7.705 11.785
234 HG21 THR 34 3HG2 THR 34 -8.476 -4.808 10.739
235 HG22 THR 34 1HG2 THR 34 -7.133 -5.029 9.619
236 HG23 THR 34 2HG2 THR 34 -6.983 -5.566 11.292
237 H GLY 35 H GLY 35 -11.418 -5.478 8.120
238 HA2 GLY 35 1HA GLY 35 -12.872 -5.120 10.593
239 HA3 GLY 35 2HA GLY 35 -12.220 -3.632 9.923
240 H VAL 36 H VAL 36 -13.890 -2.554 9.093
241 HA VAL 36 HA VAL 36 -15.864 -4.035 7.492
242 HB VAL 36 HB VAL 36 -16.077 -1.294 8.746
243 HG11 VAL 36 1HG1 VAL 36 -18.033 -0.950 7.680
244 HG12 VAL 36 2HG1 VAL 36 -17.357 -2.075 6.500
245 HG13 VAL 36 3HG1 VAL 36 -18.481 -2.655 7.729
246 HG21 VAL 36 3HG2 VAL 36 -18.007 -3.281 9.584
247 HG22 VAL 36 1HG2 VAL 36 -16.353 -3.798 9.915
248 HG23 VAL 36 2HG2 VAL 36 -16.943 -2.265 10.556
249 H SER 37 H SER 37 -15.866 -3.804 5.358
250 HA SER 37 HA SER 37 -14.510 -1.456 4.202
251 HB2 SER 37 1HB SER 37 -13.242 -3.537 3.823
252 HB3 SER 37 2HB SER 37 -14.657 -4.255 3.054
253 HG SER 37 HG SER 37 -13.162 -2.016 2.161
254 H GLY 38 H GLY 38 -15.263 -0.907 1.976
255 HA2 GLY 38 1HA GLY 38 -18.081 -1.628 1.523
256 HA3 GLY 38 2HA GLY 38 -17.623 0.067 1.613
257 HA PRO 39 HA PRO 39 -16.980 0.007 -2.729
258 HB2 PRO 39 1HB PRO 39 -15.283 2.112 -2.965
259 HB3 PRO 39 2HB PRO 39 -17.007 2.301 -2.620
260 HG2 PRO 39 1HG PRO 39 -14.680 2.369 -0.738
261 HG3 PRO 39 2HG PRO 39 -16.103 3.426 -0.796
262 HD2 PRO 39 1HD PRO 39 -15.875 1.385 0.969
263 HD3 PRO 39 2HD PRO 39 -17.437 1.900 0.300
264 H SER 40 H SER 40 -15.751 -1.293 -3.927
265 HA SER 40 HA SER 40 -12.856 -1.343 -3.497
266 HB2 SER 40 1HB SER 40 -12.731 -3.716 -3.365
267 HB3 SER 40 2HB SER 40 -13.989 -3.237 -2.226
268 HG SER 40 HG SER 40 -15.526 -3.968 -3.598
269 H SER 41 H SER 41 -11.675 -1.584 -5.330
270 HA SER 41 HA SER 41 -13.123 -2.195 -7.818
271 HB2 SER 41 1HB SER 41 -11.700 -0.461 -8.948
272 HB3 SER 41 2HB SER 41 -12.855 0.200 -7.790
273 HG SER 41 HG SER 41 -11.252 0.927 -6.647
274 H GLY 42 H GLY 42 -9.806 -1.596 -6.631
275 HA2 GLY 42 1HA GLY 42 -9.012 -4.182 -7.776
276 HA3 GLY 42 2HA GLY 42 -8.141 -2.738 -8.271
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -8.771 6.192 -19.974
2 HA2 GLY 1 1HA GLY 1 -8.609 8.442 -21.650
3 HA3 GLY 1 2HA GLY 1 -9.656 8.837 -20.295
4 H SER 2 H SER 2 -6.650 6.945 -20.570
5 HA SER 2 HA SER 2 -5.526 7.426 -18.170
6 HB2 SER 2 1HB SER 2 -3.331 7.154 -19.194
7 HB3 SER 2 2HB SER 2 -4.483 6.065 -19.965
8 HG SER 2 HG SER 2 -4.170 8.588 -21.097
9 H SER 3 H SER 3 -4.955 9.137 -17.013
10 HA SER 3 HA SER 3 -4.598 11.708 -18.403
11 HB2 SER 3 1HB SER 3 -5.181 12.742 -16.202
12 HB3 SER 3 2HB SER 3 -6.480 11.763 -16.883
13 HG SER 3 HG SER 3 -4.626 10.671 -15.059
14 H GLY 4 H GLY 4 -3.164 13.271 -17.118
15 HA2 GLY 4 1HA GLY 4 -0.564 12.145 -16.965
16 HA3 GLY 4 2HA GLY 4 -1.005 13.787 -16.520
17 H SER 5 H SER 5 -0.961 10.447 -15.363
18 HA SER 5 HA SER 5 -0.245 11.388 -12.715
19 HB2 SER 5 1HB SER 5 -2.797 9.872 -13.265
20 HB3 SER 5 2HB SER 5 -2.038 9.904 -11.674
21 HG SER 5 HG SER 5 -2.435 12.351 -12.937
22 H SER 6 H SER 6 0.180 9.471 -11.233
23 HA SER 6 HA SER 6 0.744 6.948 -12.497
24 HB2 SER 6 1HB SER 6 2.932 8.905 -11.886
25 HB3 SER 6 2HB SER 6 3.240 7.176 -11.727
26 HG SER 6 HG SER 6 3.242 8.629 -13.934
27 H GLY 7 H GLY 7 2.053 5.525 -10.879
28 HA2 GLY 7 1HA GLY 7 1.072 6.134 -8.158
29 HA3 GLY 7 2HA GLY 7 1.026 4.519 -8.849
30 H GLU 8 H GLU 8 3.396 7.122 -8.271
31 HA GLU 8 HA GLU 8 5.428 5.085 -7.738
32 HB2 GLU 8 1HB GLU 8 5.592 8.057 -8.224
33 HB3 GLU 8 2HB GLU 8 6.973 7.104 -7.699
34 HG2 GLU 8 1HG GLU 8 6.515 5.644 -9.743
35 HG3 GLU 8 2HG GLU 8 5.477 6.959 -10.290
36 H LYS 9 H LYS 9 4.948 4.370 -5.690
37 HA LYS 9 HA LYS 9 5.518 6.271 -3.540
38 HB2 LYS 9 1HB LYS 9 3.050 4.566 -3.774
39 HB3 LYS 9 2HB LYS 9 3.645 5.104 -2.210
40 HG2 LYS 9 1HG LYS 9 3.283 7.372 -2.739
41 HG3 LYS 9 2HG LYS 9 3.050 7.012 -4.451
42 HD2 LYS 9 1HD LYS 9 1.227 5.719 -2.489
43 HD3 LYS 9 2HD LYS 9 1.006 7.439 -2.817
44 HE2 LYS 9 1HE LYS 9 0.904 6.903 -5.241
45 HE3 LYS 9 2HE LYS 9 0.978 5.191 -4.828
46 HZ1 LYS 9 3HZ LYS 9 -1.169 7.113 -4.125
47 HZ2 LYS 9 1HZ LYS 9 -1.066 5.551 -3.483
48 HZ3 LYS 9 2HZ LYS 9 -1.288 5.770 -5.146
49 HA PRO 10 HA PRO 10 8.052 2.981 -2.080
50 HB2 PRO 10 1HB PRO 10 8.292 3.741 0.515
51 HB3 PRO 10 2HB PRO 10 9.120 4.569 -0.808
52 HG2 PRO 10 1HG PRO 10 6.594 5.321 0.611
53 HG3 PRO 10 2HG PRO 10 7.949 6.353 0.116
54 HD2 PRO 10 1HD PRO 10 5.642 6.202 -1.294
55 HD3 PRO 10 2HD PRO 10 7.216 6.485 -2.066
56 H TYR 11 H TYR 11 5.436 3.873 0.183
57 HA TYR 11 HA TYR 11 5.282 1.256 1.308
58 HB2 TYR 11 1HB TYR 11 3.198 3.439 1.455
59 HB3 TYR 11 2HB TYR 11 3.406 2.089 2.565
60 HD1 TYR 11 HD2 TYR 11 4.741 5.341 1.501
61 HD2 TYR 11 HD1 TYR 11 5.105 2.136 4.276
62 HE1 TYR 11 HE2 TYR 11 6.205 6.731 2.906
63 HE2 TYR 11 HE1 TYR 11 6.569 3.518 5.689
64 HH TYR 11 HH TYR 11 6.809 6.757 5.472
65 H VAL 12 H VAL 12 4.044 -0.439 0.757
66 HA VAL 12 HA VAL 12 1.843 -0.077 -1.132
67 HB VAL 12 HB VAL 12 4.099 -2.033 -1.601
68 HG11 VAL 12 1HG1 VAL 12 2.891 -2.696 -3.598
69 HG12 VAL 12 2HG1 VAL 12 1.888 -2.952 -2.169
70 HG13 VAL 12 3HG1 VAL 12 1.595 -1.563 -3.217
71 HG21 VAL 12 3HG2 VAL 12 3.242 0.123 -3.492
72 HG22 VAL 12 1HG2 VAL 12 4.365 0.478 -2.179
73 HG23 VAL 12 2HG2 VAL 12 4.783 -0.730 -3.394
74 H CYS 13 H CYS 13 0.128 -1.086 -0.343
75 HA CYS 13 HA CYS 13 0.167 -2.774 1.886
76 HB2 CYS 13 1HB CYS 13 -1.844 -1.593 1.370
77 HB3 CYS 13 2HB CYS 13 -1.931 -2.312 -0.234
78 H SER 14 H SER 14 -0.541 -5.027 2.013
79 HA SER 14 HA SER 14 0.601 -6.604 -0.191
80 HB2 SER 14 1HB SER 14 0.324 -7.165 2.761
81 HB3 SER 14 2HB SER 14 0.715 -8.429 1.596
82 HG SER 14 HG SER 14 2.242 -6.251 2.451
83 H ASP 15 H ASP 15 -2.188 -6.267 1.919
84 HA ASP 15 HA ASP 15 -3.589 -8.574 1.218
85 HB2 ASP 15 1HB ASP 15 -4.677 -5.844 1.939
86 HB3 ASP 15 2HB ASP 15 -5.617 -7.334 1.917
87 H CYS 16 H CYS 16 -4.252 -5.300 -0.039
88 HA CYS 16 HA CYS 16 -5.418 -6.512 -2.433
89 HB2 CYS 16 1HB CYS 16 -6.298 -4.251 -2.889
90 HB3 CYS 16 2HB CYS 16 -6.774 -4.834 -1.297
91 H GLY 17 H GLY 17 -2.923 -4.192 -1.465
92 HA2 GLY 17 1HA GLY 17 -0.805 -4.236 -2.660
93 HA3 GLY 17 2HA GLY 17 -1.711 -4.547 -4.133
94 H LYS 18 H LYS 18 -2.961 -2.223 -1.909
95 HA LYS 18 HA LYS 18 -2.742 -0.141 -3.875
96 HB2 LYS 18 1HB LYS 18 -4.597 -0.609 -2.047
97 HB3 LYS 18 2HB LYS 18 -3.565 0.416 -1.058
98 HG2 LYS 18 1HG LYS 18 -3.716 2.170 -2.801
99 HG3 LYS 18 2HG LYS 18 -4.859 1.148 -3.676
100 HD2 LYS 18 1HD LYS 18 -6.389 1.207 -1.784
101 HD3 LYS 18 2HD LYS 18 -5.235 2.173 -0.861
102 HE2 LYS 18 1HE LYS 18 -6.692 3.778 -1.672
103 HE3 LYS 18 2HE LYS 18 -5.391 3.814 -2.861
104 HZ1 LYS 18 3HZ LYS 18 -7.725 2.072 -3.292
105 HZ2 LYS 18 1HZ LYS 18 -6.678 2.758 -4.431
106 HZ3 LYS 18 2HZ LYS 18 -7.830 3.721 -3.653
107 H ALA 19 H ALA 19 -1.269 1.436 -4.014
108 HA ALA 19 HA ALA 19 0.992 1.386 -2.207
109 HB1 ALA 19 3HB ALA 19 0.564 3.246 -4.534
110 HB2 ALA 19 1HB ALA 19 2.087 2.805 -3.763
111 HB3 ALA 19 2HB ALA 19 1.196 1.608 -4.703
112 H PHE 20 H PHE 20 1.820 3.272 -1.138
113 HA PHE 20 HA PHE 20 -0.018 5.501 -0.761
114 HB2 PHE 20 1HB PHE 20 0.970 3.796 1.535
115 HB3 PHE 20 2HB PHE 20 0.095 5.314 1.702
116 HD1 PHE 20 HD2 PHE 20 -0.163 1.806 0.626
117 HD2 PHE 20 HD1 PHE 20 -2.263 5.418 1.437
118 HE1 PHE 20 HE2 PHE 20 -2.294 0.580 0.551
119 HE2 PHE 20 HE1 PHE 20 -4.398 4.197 1.363
120 HZ PHE 20 HZ PHE 20 -4.416 1.775 0.918
121 H THR 21 H THR 21 0.983 7.400 -0.255
122 HA THR 21 HA THR 21 3.790 7.568 -0.712
123 HB THR 21 HB THR 21 2.013 9.750 0.386
124 HG1 THR 21 HG1 THR 21 2.000 10.272 -2.004
125 HG21 THR 21 3HG2 THR 21 4.582 9.959 0.321
126 HG22 THR 21 1HG2 THR 21 3.623 11.264 -0.376
127 HG23 THR 21 2HG2 THR 21 4.383 10.070 -1.427
128 H PHE 22 H PHE 22 1.744 7.995 2.157
129 HA PHE 22 HA PHE 22 4.176 8.025 3.812
130 HB2 PHE 22 1HB PHE 22 1.388 8.916 4.576
131 HB3 PHE 22 2HB PHE 22 2.849 9.100 5.541
132 HD1 PHE 22 HD1 PHE 22 4.821 10.175 3.831
133 HD2 PHE 22 HD2 PHE 22 0.636 10.948 3.841
134 HE1 PHE 22 HE1 PHE 22 5.228 12.371 2.799
135 HE2 PHE 22 HE2 PHE 22 1.036 13.145 2.808
136 HZ PHE 22 HZ PHE 22 3.334 13.858 2.285
137 H LYS 23 H LYS 23 4.109 6.864 5.851
138 HA LYS 23 HA LYS 23 3.148 4.211 5.530
139 HB2 LYS 23 1HB LYS 23 5.197 4.687 6.767
140 HB3 LYS 23 2HB LYS 23 4.286 5.603 7.961
141 HG2 LYS 23 1HG LYS 23 4.575 3.590 9.026
142 HG3 LYS 23 2HG LYS 23 2.985 3.379 8.289
143 HD2 LYS 23 1HD LYS 23 4.145 2.275 6.351
144 HD3 LYS 23 2HD LYS 23 5.627 2.309 7.310
145 HE2 LYS 23 1HE LYS 23 3.146 1.135 8.484
146 HE3 LYS 23 2HE LYS 23 4.075 0.196 7.316
147 HZ1 LYS 23 3HZ LYS 23 5.947 1.165 9.053
148 HZ2 LYS 23 1HZ LYS 23 5.325 -0.408 9.033
149 HZ3 LYS 23 2HZ LYS 23 4.649 0.755 10.057
150 H SER 24 H SER 24 2.275 6.786 7.836
151 HA SER 24 HA SER 24 0.316 5.587 9.281
152 HB2 SER 24 1HB SER 24 0.351 8.401 8.177
153 HB3 SER 24 2HB SER 24 -0.801 7.846 9.391
154 HG SER 24 HG SER 24 1.899 7.373 9.880
155 H GLN 25 H GLN 25 -0.080 7.034 6.066
156 HA GLN 25 HA GLN 25 -2.815 6.695 5.762
157 HB2 GLN 25 1HB GLN 25 -0.532 6.748 3.818
158 HB3 GLN 25 2HB GLN 25 -2.165 6.426 3.252
159 HG2 GLN 25 1HG GLN 25 -1.618 8.817 4.953
160 HG3 GLN 25 2HG GLN 25 -1.243 8.845 3.230
161 HE21 GLN 25 1HE2 GLN 25 -3.718 8.869 5.621
162 HE22 GLN 25 2HE2 GLN 25 -5.051 9.125 4.553
163 H LEU 26 H LEU 26 -0.192 4.397 5.206
164 HA LEU 26 HA LEU 26 -1.840 2.355 4.109
165 HB2 LEU 26 1HB LEU 26 0.517 2.366 3.657
166 HB3 LEU 26 2HB LEU 26 0.892 2.275 5.376
167 HG LEU 26 HG LEU 26 -0.153 -0.001 5.397
168 HD11 LEU 26 1HD1 LEU 26 -0.356 -1.126 3.188
169 HD12 LEU 26 2HD1 LEU 26 -0.182 0.451 2.418
170 HD13 LEU 26 3HD1 LEU 26 -1.563 0.129 3.467
171 HD21 LEU 26 3HD2 LEU 26 2.302 0.704 3.859
172 HD22 LEU 26 1HD2 LEU 26 1.775 -0.978 3.913
173 HD23 LEU 26 2HD2 LEU 26 2.139 -0.120 5.411
174 H ILE 27 H ILE 27 -0.289 2.674 7.306
175 HA ILE 27 HA ILE 27 -1.234 0.477 8.587
176 HB ILE 27 HB ILE 27 -1.110 3.258 9.760
177 HG12 ILE 27 1HG1 ILE 27 0.957 1.076 9.984
178 HG13 ILE 27 2HG1 ILE 27 0.983 2.248 8.671
179 HG21 ILE 27 1HG2 ILE 27 -2.374 1.955 11.259
180 HG22 ILE 27 2HG2 ILE 27 -1.342 0.545 11.030
181 HG23 ILE 27 3HG2 ILE 27 -0.732 1.951 11.903
182 HD11 ILE 27 3HD1 ILE 27 0.965 4.024 10.504
183 HD12 ILE 27 1HD1 ILE 27 1.381 2.708 11.601
184 HD13 ILE 27 2HD1 ILE 27 2.451 3.107 10.257
185 H VAL 28 H VAL 28 -2.986 3.560 8.275
186 HA VAL 28 HA VAL 28 -5.321 2.710 9.609
187 HB VAL 28 HB VAL 28 -5.022 4.865 7.512
188 HG11 VAL 28 1HG1 VAL 28 -7.130 5.625 8.015
189 HG12 VAL 28 2HG1 VAL 28 -7.366 3.882 8.168
190 HG13 VAL 28 3HG1 VAL 28 -7.139 4.873 9.610
191 HG21 VAL 28 3HG2 VAL 28 -5.342 5.936 10.099
192 HG22 VAL 28 1HG2 VAL 28 -4.103 4.687 10.214
193 HG23 VAL 28 2HG2 VAL 28 -3.917 6.010 9.063
194 H HIS 29 H HIS 29 -4.387 2.686 6.200
195 HA HIS 29 HA HIS 29 -6.850 1.898 5.120
196 HB2 HIS 29 1HB HIS 29 -5.365 2.593 3.494
197 HB3 HIS 29 2HB HIS 29 -4.007 1.736 4.218
198 HD1 HIS 29 HD1 HIS 29 -7.196 0.940 2.312
199 HD2 HIS 29 HD2 HIS 29 -3.396 -0.601 2.982
200 HE1 HIS 29 HE1 HIS 29 -7.006 -1.062 0.802
201 H GLN 30 H GLN 30 -4.017 -0.118 5.921
202 HA GLN 30 HA GLN 30 -4.845 -2.598 5.316
203 HB2 GLN 30 1HB GLN 30 -3.563 -1.821 7.942
204 HB3 GLN 30 2HB GLN 30 -3.587 -3.442 7.260
205 HG2 GLN 30 1HG GLN 30 -2.277 -2.674 5.357
206 HG3 GLN 30 2HG GLN 30 -2.269 -1.039 6.016
207 HE21 GLN 30 1HE2 GLN 30 -0.170 -3.172 5.450
208 HE22 GLN 30 2HE2 GLN 30 0.766 -3.220 6.901
209 H GLY 31 H GLY 31 -6.023 -0.674 8.020
210 HA2 GLY 31 1HA GLY 31 -7.426 -2.568 9.461
211 HA3 GLY 31 2HA GLY 31 -7.919 -0.889 9.299
212 H ILE 32 H ILE 32 -8.617 -0.680 6.688
213 HA ILE 32 HA ILE 32 -11.205 -1.470 6.537
214 HB ILE 32 HB ILE 32 -11.176 -1.091 4.193
215 HG12 ILE 32 1HG1 ILE 32 -8.727 -0.824 3.170
216 HG13 ILE 32 2HG1 ILE 32 -8.347 -2.001 4.422
217 HG21 ILE 32 1HG2 ILE 32 -9.886 0.646 6.012
218 HG22 ILE 32 2HG2 ILE 32 -9.028 0.757 4.476
219 HG23 ILE 32 3HG2 ILE 32 -10.764 1.060 4.540
220 HD11 ILE 32 3HD1 ILE 32 -8.847 -3.447 2.774
221 HD12 ILE 32 1HD1 ILE 32 -10.491 -3.182 3.353
222 HD13 ILE 32 2HD1 ILE 32 -9.901 -2.306 1.940
223 H HIS 33 H HIS 33 -8.392 -3.428 5.882
224 HA HIS 33 HA HIS 33 -9.824 -5.569 4.627
225 HB2 HIS 33 1HB HIS 33 -7.043 -5.373 5.787
226 HB3 HIS 33 2HB HIS 33 -7.668 -6.835 5.029
227 HD1 HIS 33 HD1 HIS 33 -8.738 -6.169 2.463
228 HD2 HIS 33 HD2 HIS 33 -5.599 -3.940 4.026
229 HE1 HIS 33 HE1 HIS 33 -7.661 -5.046 0.487
230 H THR 34 H THR 34 -8.201 -5.280 7.791
231 HA THR 34 HA THR 34 -9.508 -7.652 8.778
232 HB THR 34 HB THR 34 -7.231 -7.133 9.511
233 HG1 THR 34 HG1 THR 34 -7.870 -7.063 11.917
234 HG21 THR 34 3HG2 THR 34 -6.593 -5.211 10.587
235 HG22 THR 34 1HG2 THR 34 -8.201 -4.914 11.245
236 HG23 THR 34 2HG2 THR 34 -7.864 -4.565 9.549
237 H GLY 35 H GLY 35 -11.542 -7.651 9.465
238 HA2 GLY 35 1HA GLY 35 -12.854 -6.709 11.434
239 HA3 GLY 35 2HA GLY 35 -12.627 -5.165 10.627
240 H VAL 36 H VAL 36 -14.741 -4.700 10.205
241 HA VAL 36 HA VAL 36 -16.697 -6.475 9.310
242 HB VAL 36 HB VAL 36 -16.483 -3.512 8.757
243 HG11 VAL 36 1HG1 VAL 36 -18.496 -3.553 7.778
244 HG12 VAL 36 2HG1 VAL 36 -18.195 -5.278 7.558
245 HG13 VAL 36 3HG1 VAL 36 -19.139 -4.715 8.938
246 HG21 VAL 36 3HG2 VAL 36 -17.587 -5.106 11.041
247 HG22 VAL 36 1HG2 VAL 36 -16.511 -3.710 11.075
248 HG23 VAL 36 2HG2 VAL 36 -18.214 -3.500 10.669
249 H SER 37 H SER 37 -17.054 -7.455 7.431
250 HA SER 37 HA SER 37 -15.275 -7.460 5.314
251 HB2 SER 37 1HB SER 37 -18.181 -8.237 5.489
252 HB3 SER 37 2HB SER 37 -17.265 -8.422 3.994
253 HG SER 37 HG SER 37 -17.145 -9.871 6.332
254 H GLY 38 H GLY 38 -15.079 -6.376 3.405
255 HA2 GLY 38 1HA GLY 38 -16.981 -4.165 2.935
256 HA3 GLY 38 2HA GLY 38 -15.244 -3.935 2.797
257 HA PRO 39 HA PRO 39 -15.597 -4.828 -1.489
258 HB2 PRO 39 1HB PRO 39 -13.033 -5.556 -2.002
259 HB3 PRO 39 2HB PRO 39 -13.515 -3.881 -1.708
260 HG2 PRO 39 1HG PRO 39 -12.276 -5.853 0.173
261 HG3 PRO 39 2HG PRO 39 -11.902 -4.134 -0.052
262 HD2 PRO 39 1HD PRO 39 -13.437 -5.036 1.988
263 HD3 PRO 39 2HD PRO 39 -13.687 -3.448 1.235
264 H SER 40 H SER 40 -15.573 -6.552 -3.001
265 HA SER 40 HA SER 40 -15.946 -9.146 -1.783
266 HB2 SER 40 1HB SER 40 -16.707 -9.844 -4.013
267 HB3 SER 40 2HB SER 40 -17.506 -8.352 -3.515
268 HG SER 40 HG SER 40 -15.501 -7.440 -4.738
269 H SER 41 H SER 41 -13.875 -9.762 -1.138
270 HA SER 41 HA SER 41 -11.686 -10.438 -1.350
271 HB2 SER 41 1HB SER 41 -13.108 -11.887 -3.589
272 HB3 SER 41 2HB SER 41 -11.464 -12.272 -3.079
273 HG SER 41 HG SER 41 -13.887 -12.619 -1.703
274 H GLY 42 H GLY 42 -12.013 -7.914 -2.507
275 HA2 GLY 42 1HA GLY 42 -11.159 -6.482 -4.113
276 HA3 GLY 42 2HA GLY 42 -9.708 -7.434 -3.834
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -3.249 -2.588 -27.215
2 HA2 GLY 1 1HA GLY 1 -4.773 -1.090 -25.172
3 HA3 GLY 1 2HA GLY 1 -4.181 -2.727 -24.931
4 H SER 2 H SER 2 -3.279 -1.664 -22.966
5 HA SER 2 HA SER 2 -0.498 -1.199 -23.320
6 HB2 SER 2 1HB SER 2 -1.440 1.044 -23.955
7 HB3 SER 2 2HB SER 2 -2.076 1.179 -22.316
8 HG SER 2 HG SER 2 0.225 1.978 -23.028
9 H SER 3 H SER 3 0.599 -0.763 -21.224
10 HA SER 3 HA SER 3 -1.006 -1.448 -18.875
11 HB2 SER 3 1HB SER 3 1.223 -3.070 -20.032
12 HB3 SER 3 2HB SER 3 1.048 -3.002 -18.279
13 HG SER 3 HG SER 3 -0.126 -4.723 -19.473
14 H GLY 4 H GLY 4 -0.264 -0.598 -16.965
15 HA2 GLY 4 1HA GLY 4 2.227 0.217 -16.227
16 HA3 GLY 4 2HA GLY 4 1.630 1.559 -17.192
17 H SER 5 H SER 5 2.124 2.453 -14.890
18 HA SER 5 HA SER 5 -0.462 2.743 -13.581
19 HB2 SER 5 1HB SER 5 2.036 1.874 -12.109
20 HB3 SER 5 2HB SER 5 0.554 2.421 -11.325
21 HG SER 5 HG SER 5 0.707 0.119 -11.522
22 H SER 6 H SER 6 -0.493 4.563 -12.050
23 HA SER 6 HA SER 6 1.588 6.562 -12.642
24 HB2 SER 6 1HB SER 6 -1.399 7.027 -12.479
25 HB3 SER 6 2HB SER 6 -0.187 8.298 -12.636
26 HG SER 6 HG SER 6 0.428 7.341 -14.628
27 H GLY 7 H GLY 7 1.640 4.902 -10.401
28 HA2 GLY 7 1HA GLY 7 1.254 6.905 -8.283
29 HA3 GLY 7 2HA GLY 7 0.615 5.285 -8.052
30 H GLU 8 H GLU 8 3.437 7.280 -8.059
31 HA GLU 8 HA GLU 8 5.191 4.999 -7.553
32 HB2 GLU 8 1HB GLU 8 5.980 6.720 -9.109
33 HB3 GLU 8 2HB GLU 8 5.824 7.940 -7.852
34 HG2 GLU 8 1HG GLU 8 7.538 6.815 -6.536
35 HG3 GLU 8 2HG GLU 8 7.689 5.579 -7.783
36 H LYS 9 H LYS 9 4.884 4.289 -5.512
37 HA LYS 9 HA LYS 9 5.606 6.118 -3.355
38 HB2 LYS 9 1HB LYS 9 3.131 4.389 -3.215
39 HB3 LYS 9 2HB LYS 9 3.724 5.476 -1.967
40 HG2 LYS 9 1HG LYS 9 3.183 7.390 -3.241
41 HG3 LYS 9 2HG LYS 9 2.904 6.428 -4.696
42 HD2 LYS 9 1HD LYS 9 1.032 5.293 -3.424
43 HD3 LYS 9 2HD LYS 9 1.227 6.548 -2.198
44 HE2 LYS 9 1HE LYS 9 0.709 7.114 -5.111
45 HE3 LYS 9 2HE LYS 9 -0.563 6.990 -3.897
46 HZ1 LYS 9 3HZ LYS 9 0.466 9.288 -4.506
47 HZ2 LYS 9 1HZ LYS 9 1.677 8.824 -3.420
48 HZ3 LYS 9 2HZ LYS 9 0.071 8.931 -2.900
49 HA PRO 10 HA PRO 10 7.928 2.629 -2.010
50 HB2 PRO 10 1HB PRO 10 8.289 3.324 0.590
51 HB3 PRO 10 2HB PRO 10 9.141 4.113 -0.743
52 HG2 PRO 10 1HG PRO 10 6.714 5.022 0.755
53 HG3 PRO 10 2HG PRO 10 8.128 5.961 0.239
54 HD2 PRO 10 1HD PRO 10 5.781 6.002 -1.110
55 HD3 PRO 10 2HD PRO 10 7.351 6.182 -1.920
56 H TYR 11 H TYR 11 5.429 3.670 0.319
57 HA TYR 11 HA TYR 11 5.120 1.065 1.434
58 HB2 TYR 11 1HB TYR 11 3.176 3.372 1.607
59 HB3 TYR 11 2HB TYR 11 3.312 2.009 2.712
60 HD1 TYR 11 HD2 TYR 11 4.806 5.189 1.658
61 HD2 TYR 11 HD1 TYR 11 5.057 1.934 4.387
62 HE1 TYR 11 HE2 TYR 11 6.366 6.484 3.050
63 HE2 TYR 11 HE1 TYR 11 6.617 3.220 5.787
64 HH TYR 11 HH TYR 11 8.116 6.073 4.724
65 H VAL 12 H VAL 12 3.833 -0.566 0.841
66 HA VAL 12 HA VAL 12 1.618 -0.064 -1.005
67 HB VAL 12 HB VAL 12 3.765 -2.131 -1.500
68 HG11 VAL 12 1HG1 VAL 12 2.434 -3.172 -2.982
69 HG12 VAL 12 2HG1 VAL 12 1.125 -2.433 -2.057
70 HG13 VAL 12 3HG1 VAL 12 1.703 -1.666 -3.537
71 HG21 VAL 12 3HG2 VAL 12 3.021 -0.082 -3.509
72 HG22 VAL 12 1HG2 VAL 12 3.966 0.451 -2.119
73 HG23 VAL 12 2HG2 VAL 12 4.586 -0.822 -3.170
74 H CYS 13 H CYS 13 -0.142 -0.953 -0.172
75 HA CYS 13 HA CYS 13 -0.238 -2.596 2.055
76 HB2 CYS 13 1HB CYS 13 -2.217 -1.442 1.461
77 HB3 CYS 13 2HB CYS 13 -2.218 -2.117 -0.165
78 H SER 14 H SER 14 -0.904 -4.825 2.279
79 HA SER 14 HA SER 14 0.261 -6.511 0.173
80 HB2 SER 14 1HB SER 14 0.375 -8.249 1.999
81 HB3 SER 14 2HB SER 14 1.376 -6.823 2.274
82 HG SER 14 HG SER 14 -1.126 -7.448 3.449
83 H ASP 15 H ASP 15 -2.602 -6.004 2.126
84 HA ASP 15 HA ASP 15 -4.013 -8.335 1.542
85 HB2 ASP 15 1HB ASP 15 -4.907 -5.527 2.167
86 HB3 ASP 15 2HB ASP 15 -6.067 -6.820 1.873
87 H CYS 16 H CYS 16 -4.511 -5.163 -0.018
88 HA CYS 16 HA CYS 16 -5.603 -6.544 -2.356
89 HB2 CYS 16 1HB CYS 16 -6.349 -4.268 -3.046
90 HB3 CYS 16 2HB CYS 16 -6.995 -4.772 -1.487
91 H GLY 17 H GLY 17 -3.115 -4.178 -1.472
92 HA2 GLY 17 1HA GLY 17 -0.935 -4.451 -2.578
93 HA3 GLY 17 2HA GLY 17 -1.820 -4.736 -4.070
94 H LYS 18 H LYS 18 -3.035 -2.295 -1.978
95 HA LYS 18 HA LYS 18 -2.731 -0.277 -3.947
96 HB2 LYS 18 1HB LYS 18 -4.439 -0.550 -1.944
97 HB3 LYS 18 2HB LYS 18 -3.247 0.420 -1.090
98 HG2 LYS 18 1HG LYS 18 -3.538 2.248 -2.526
99 HG3 LYS 18 2HG LYS 18 -4.375 1.271 -3.736
100 HD2 LYS 18 1HD LYS 18 -6.284 1.025 -2.283
101 HD3 LYS 18 2HD LYS 18 -5.438 1.851 -0.972
102 HE2 LYS 18 1HE LYS 18 -6.011 3.137 -3.633
103 HE3 LYS 18 2HE LYS 18 -7.111 3.238 -2.258
104 HZ1 LYS 18 3HZ LYS 18 -5.537 5.146 -2.519
105 HZ2 LYS 18 1HZ LYS 18 -4.275 4.090 -2.123
106 HZ3 LYS 18 2HZ LYS 18 -5.502 4.399 -1.001
107 H ALA 19 H ALA 19 -1.745 1.903 -3.371
108 HA ALA 19 HA ALA 19 0.839 1.518 -2.007
109 HB1 ALA 19 3HB ALA 19 0.546 3.349 -4.359
110 HB2 ALA 19 1HB ALA 19 2.006 2.627 -3.682
111 HB3 ALA 19 2HB ALA 19 0.863 1.628 -4.581
112 H PHE 20 H PHE 20 1.658 3.265 -0.851
113 HA PHE 20 HA PHE 20 0.041 5.693 -0.694
114 HB2 PHE 20 1HB PHE 20 0.790 4.068 1.745
115 HB3 PHE 20 2HB PHE 20 -0.062 5.609 1.746
116 HD1 PHE 20 HD2 PHE 20 -0.318 2.035 0.931
117 HD2 PHE 20 HD1 PHE 20 -2.392 5.737 1.266
118 HE1 PHE 20 HE2 PHE 20 -2.465 0.842 0.785
119 HE2 PHE 20 HE1 PHE 20 -4.542 4.550 1.121
120 HZ PHE 20 HZ PHE 20 -4.580 2.099 0.879
121 H THR 21 H THR 21 1.179 7.516 -0.167
122 HA THR 21 HA THR 21 4.006 7.423 -0.506
123 HB THR 21 HB THR 21 2.194 9.705 0.299
124 HG1 THR 21 HG1 THR 21 2.256 10.214 -1.846
125 HG21 THR 21 3HG2 THR 21 3.975 11.013 0.611
126 HG22 THR 21 1HG2 THR 21 4.707 10.474 -0.900
127 HG23 THR 21 2HG2 THR 21 4.970 9.558 0.584
128 H PHE 22 H PHE 22 1.884 8.066 2.261
129 HA PHE 22 HA PHE 22 4.236 8.018 4.022
130 HB2 PHE 22 1HB PHE 22 1.427 9.011 4.549
131 HB3 PHE 22 2HB PHE 22 2.742 9.032 5.719
132 HD1 PHE 22 HD1 PHE 22 4.654 10.538 5.409
133 HD2 PHE 22 HD2 PHE 22 1.292 10.624 2.801
134 HE1 PHE 22 HE1 PHE 22 5.359 12.744 4.579
135 HE2 PHE 22 HE2 PHE 22 1.992 12.830 1.966
136 HZ PHE 22 HZ PHE 22 4.028 13.893 2.854
137 H LYS 23 H LYS 23 4.247 6.722 5.893
138 HA LYS 23 HA LYS 23 3.157 4.142 5.570
139 HB2 LYS 23 1HB LYS 23 5.241 4.621 6.816
140 HB3 LYS 23 2HB LYS 23 4.293 5.405 8.072
141 HG2 LYS 23 1HG LYS 23 3.458 3.424 8.873
142 HG3 LYS 23 2HG LYS 23 3.666 2.589 7.332
143 HD2 LYS 23 1HD LYS 23 6.196 2.935 7.762
144 HD3 LYS 23 2HD LYS 23 5.707 3.220 9.434
145 HE2 LYS 23 1HE LYS 23 4.484 1.017 9.325
146 HE3 LYS 23 2HE LYS 23 5.288 0.739 7.781
147 HZ1 LYS 23 3HZ LYS 23 6.290 0.334 10.380
148 HZ2 LYS 23 1HZ LYS 23 7.247 1.492 9.602
149 HZ3 LYS 23 2HZ LYS 23 7.020 -0.029 8.898
150 H SER 24 H SER 24 2.340 6.753 7.849
151 HA SER 24 HA SER 24 0.378 5.590 9.333
152 HB2 SER 24 1HB SER 24 1.242 8.003 9.421
153 HB3 SER 24 2HB SER 24 0.017 8.365 8.206
154 HG SER 24 HG SER 24 -1.438 8.323 9.714
155 H GLN 25 H GLN 25 -0.041 7.067 6.128
156 HA GLN 25 HA GLN 25 -2.778 6.740 5.851
157 HB2 GLN 25 1HB GLN 25 -0.507 6.848 3.907
158 HB3 GLN 25 2HB GLN 25 -2.119 6.458 3.323
159 HG2 GLN 25 1HG GLN 25 -1.543 8.903 4.965
160 HG3 GLN 25 2HG GLN 25 -1.421 8.881 3.206
161 HE21 GLN 25 1HE2 GLN 25 -3.391 9.620 5.712
162 HE22 GLN 25 2HE2 GLN 25 -4.925 9.514 4.924
163 H LEU 26 H LEU 26 -0.179 4.466 5.022
164 HA LEU 26 HA LEU 26 -1.831 2.443 3.981
165 HB2 LEU 26 1HB LEU 26 0.528 2.439 3.549
166 HB3 LEU 26 2HB LEU 26 0.888 2.320 5.270
167 HG LEU 26 HG LEU 26 -0.125 0.052 5.271
168 HD11 LEU 26 1HD1 LEU 26 -0.721 -1.051 3.276
169 HD12 LEU 26 2HD1 LEU 26 -0.072 0.245 2.272
170 HD13 LEU 26 3HD1 LEU 26 -1.534 0.513 3.221
171 HD21 LEU 26 3HD2 LEU 26 1.794 -0.603 3.343
172 HD22 LEU 26 1HD2 LEU 26 2.015 -0.512 5.090
173 HD23 LEU 26 2HD2 LEU 26 2.354 0.897 4.084
174 H ILE 27 H ILE 27 -0.315 2.694 7.200
175 HA ILE 27 HA ILE 27 -1.292 0.478 8.427
176 HB ILE 27 HB ILE 27 -1.141 3.236 9.649
177 HG12 ILE 27 1HG1 ILE 27 0.887 1.037 9.946
178 HG13 ILE 27 2HG1 ILE 27 0.939 2.124 8.563
179 HG21 ILE 27 1HG2 ILE 27 -1.078 0.577 11.061
180 HG22 ILE 27 2HG2 ILE 27 -1.112 2.182 11.789
181 HG23 ILE 27 3HG2 ILE 27 -2.522 1.580 10.917
182 HD11 ILE 27 3HD1 ILE 27 2.368 2.657 10.631
183 HD12 ILE 27 1HD1 ILE 27 1.457 3.960 9.868
184 HD13 ILE 27 2HD1 ILE 27 0.852 3.208 11.344
185 H VAL 28 H VAL 28 -3.014 3.575 8.114
186 HA VAL 28 HA VAL 28 -5.369 2.735 9.428
187 HB VAL 28 HB VAL 28 -5.024 4.909 7.358
188 HG11 VAL 28 1HG1 VAL 28 -7.216 4.642 9.404
189 HG12 VAL 28 2HG1 VAL 28 -7.105 5.798 8.075
190 HG13 VAL 28 3HG1 VAL 28 -7.373 4.088 7.737
191 HG21 VAL 28 3HG2 VAL 28 -5.027 5.076 10.371
192 HG22 VAL 28 1HG2 VAL 28 -3.596 5.177 9.345
193 HG23 VAL 28 2HG2 VAL 28 -4.841 6.423 9.247
194 H HIS 29 H HIS 29 -4.423 2.772 6.017
195 HA HIS 29 HA HIS 29 -6.885 1.985 4.931
196 HB2 HIS 29 1HB HIS 29 -5.405 2.749 3.325
197 HB3 HIS 29 2HB HIS 29 -4.044 1.863 4.006
198 HD1 HIS 29 HD1 HIS 29 -7.046 1.399 1.793
199 HD2 HIS 29 HD2 HIS 29 -3.660 -0.687 2.994
200 HE1 HIS 29 HE1 HIS 29 -6.929 -0.614 0.290
201 H GLN 30 H GLN 30 -4.011 -0.029 5.586
202 HA GLN 30 HA GLN 30 -4.856 -2.496 4.951
203 HB2 GLN 30 1HB GLN 30 -3.416 -1.721 7.492
204 HB3 GLN 30 2HB GLN 30 -3.542 -3.368 6.887
205 HG2 GLN 30 1HG GLN 30 -2.421 -2.573 4.787
206 HG3 GLN 30 2HG GLN 30 -2.118 -1.048 5.617
207 HE21 GLN 30 1HE2 GLN 30 0.107 -1.901 4.942
208 HE22 GLN 30 2HE2 GLN 30 0.953 -2.816 6.139
209 H GLY 31 H GLY 31 -6.124 -0.537 7.524
210 HA2 GLY 31 1HA GLY 31 -7.375 -2.487 9.091
211 HA3 GLY 31 2HA GLY 31 -7.917 -0.823 8.927
212 H ILE 32 H ILE 32 -8.709 -0.635 6.356
213 HA ILE 32 HA ILE 32 -11.269 -1.483 6.265
214 HB ILE 32 HB ILE 32 -11.312 -1.119 3.934
215 HG12 ILE 32 1HG1 ILE 32 -8.318 -1.541 3.867
216 HG13 ILE 32 2HG1 ILE 32 -9.504 -2.751 3.392
217 HG21 ILE 32 1HG2 ILE 32 -10.650 0.823 5.378
218 HG22 ILE 32 2HG2 ILE 32 -8.983 0.534 4.884
219 HG23 ILE 32 3HG2 ILE 32 -10.197 0.968 3.680
220 HD11 ILE 32 3HD1 ILE 32 -9.283 -0.048 2.102
221 HD12 ILE 32 1HD1 ILE 32 -8.458 -1.490 1.512
222 HD13 ILE 32 2HD1 ILE 32 -10.221 -1.436 1.551
223 H HIS 33 H HIS 33 -8.445 -3.418 5.600
224 HA HIS 33 HA HIS 33 -10.003 -5.638 4.569
225 HB2 HIS 33 1HB HIS 33 -7.058 -5.538 5.247
226 HB3 HIS 33 2HB HIS 33 -7.875 -6.768 4.288
227 HD1 HIS 33 HD1 HIS 33 -9.165 -5.583 2.070
228 HD2 HIS 33 HD2 HIS 33 -5.821 -3.723 3.688
229 HE1 HIS 33 HE1 HIS 33 -8.297 -4.067 0.261
230 H THR 34 H THR 34 -7.806 -5.126 7.332
231 HA THR 34 HA THR 34 -8.620 -7.545 8.625
232 HB THR 34 HB THR 34 -7.299 -6.699 10.555
233 HG1 THR 34 HG1 THR 34 -6.014 -4.704 9.856
234 HG21 THR 34 3HG2 THR 34 -6.301 -7.134 7.844
235 HG22 THR 34 1HG2 THR 34 -5.759 -7.825 9.373
236 HG23 THR 34 2HG2 THR 34 -5.180 -6.237 8.868
237 H GLY 35 H GLY 35 -10.621 -7.744 9.414
238 HA2 GLY 35 1HA GLY 35 -11.752 -6.928 11.585
239 HA3 GLY 35 2HA GLY 35 -11.868 -5.411 10.705
240 H VAL 36 H VAL 36 -13.600 -8.003 11.606
241 HA VAL 36 HA VAL 36 -14.988 -8.742 9.257
242 HB VAL 36 HB VAL 36 -15.925 -8.850 12.128
243 HG11 VAL 36 1HG1 VAL 36 -17.579 -9.039 10.074
244 HG12 VAL 36 2HG1 VAL 36 -16.944 -10.685 10.023
245 HG13 VAL 36 3HG1 VAL 36 -17.733 -10.087 11.484
246 HG21 VAL 36 3HG2 VAL 36 -13.801 -10.166 11.051
247 HG22 VAL 36 1HG2 VAL 36 -14.771 -10.757 12.401
248 HG23 VAL 36 2HG2 VAL 36 -15.108 -11.315 10.762
249 H SER 37 H SER 37 -16.244 -7.496 8.052
250 HA SER 37 HA SER 37 -18.068 -5.615 9.368
251 HB2 SER 37 1HB SER 37 -16.267 -4.192 8.685
252 HB3 SER 37 2HB SER 37 -16.181 -4.959 7.099
253 HG SER 37 HG SER 37 -18.199 -4.072 6.612
254 H GLY 38 H GLY 38 -20.029 -5.320 8.344
255 HA2 GLY 38 1HA GLY 38 -21.771 -5.750 6.905
256 HA3 GLY 38 2HA GLY 38 -20.573 -6.174 5.690
257 HA PRO 39 HA PRO 39 -22.943 -9.953 7.288
258 HB2 PRO 39 1HB PRO 39 -24.358 -10.464 5.027
259 HB3 PRO 39 2HB PRO 39 -24.962 -9.426 6.325
260 HG2 PRO 39 1HG PRO 39 -23.674 -8.663 3.732
261 HG3 PRO 39 2HG PRO 39 -25.087 -7.950 4.533
262 HD2 PRO 39 1HD PRO 39 -22.624 -6.830 4.653
263 HD3 PRO 39 2HD PRO 39 -23.795 -6.707 5.982
264 H SER 40 H SER 40 -21.063 -11.155 7.248
265 HA SER 40 HA SER 40 -20.140 -12.095 4.616
266 HB2 SER 40 1HB SER 40 -18.580 -10.894 6.370
267 HB3 SER 40 2HB SER 40 -18.535 -12.493 7.113
268 HG SER 40 HG SER 40 -18.122 -12.367 4.365
269 H SER 41 H SER 41 -19.123 -14.366 4.767
270 HA SER 41 HA SER 41 -21.118 -16.107 6.019
271 HB2 SER 41 1HB SER 41 -20.326 -17.829 4.468
272 HB3 SER 41 2HB SER 41 -20.747 -16.358 3.591
273 HG SER 41 HG SER 41 -18.754 -17.181 2.881
274 H GLY 42 H GLY 42 -17.599 -15.759 5.677
275 HA2 GLY 42 1HA GLY 42 -16.544 -17.839 6.983
276 HA3 GLY 42 2HA GLY 42 -15.973 -16.204 7.281
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -14.076 3.021 -7.418
2 HA2 GLY 1 1HA GLY 1 -14.267 1.767 -9.930
3 HA3 GLY 1 2HA GLY 1 -14.640 3.473 -10.128
4 H SER 2 H SER 2 -12.221 1.268 -10.305
5 HA SER 2 HA SER 2 -10.118 3.101 -9.416
6 HB2 SER 2 1HB SER 2 -10.091 0.182 -10.190
7 HB3 SER 2 2HB SER 2 -8.615 1.108 -9.915
8 HG SER 2 HG SER 2 -10.656 1.094 -7.980
9 H SER 3 H SER 3 -9.858 4.618 -10.972
10 HA SER 3 HA SER 3 -9.259 3.651 -13.692
11 HB2 SER 3 1HB SER 3 -10.573 6.239 -12.836
12 HB3 SER 3 2HB SER 3 -10.029 5.907 -14.480
13 HG SER 3 HG SER 3 -12.193 5.375 -14.330
14 H GLY 4 H GLY 4 -7.283 3.747 -11.741
15 HA2 GLY 4 1HA GLY 4 -5.026 4.536 -12.562
16 HA3 GLY 4 2HA GLY 4 -5.731 6.144 -12.498
17 H SER 5 H SER 5 -5.197 3.302 -10.419
18 HA SER 5 HA SER 5 -4.937 5.104 -8.120
19 HB2 SER 5 1HB SER 5 -6.460 3.004 -8.141
20 HB3 SER 5 2HB SER 5 -4.958 2.100 -7.948
21 HG SER 5 HG SER 5 -4.693 3.845 -6.156
22 H SER 6 H SER 6 -3.325 2.185 -9.392
23 HA SER 6 HA SER 6 -1.065 2.153 -7.881
24 HB2 SER 6 1HB SER 6 -1.502 0.442 -9.546
25 HB3 SER 6 2HB SER 6 -1.278 1.607 -10.851
26 HG SER 6 HG SER 6 0.595 0.276 -9.321
27 H GLY 7 H GLY 7 -0.020 3.969 -7.283
28 HA2 GLY 7 1HA GLY 7 1.089 5.641 -9.453
29 HA3 GLY 7 2HA GLY 7 0.478 6.336 -7.959
30 H GLU 8 H GLU 8 3.004 6.943 -8.734
31 HA GLU 8 HA GLU 8 5.014 5.217 -7.769
32 HB2 GLU 8 1HB GLU 8 5.331 7.188 -9.315
33 HB3 GLU 8 2HB GLU 8 5.167 8.229 -7.909
34 HG2 GLU 8 1HG GLU 8 7.475 7.981 -8.294
35 HG3 GLU 8 2HG GLU 8 7.096 6.984 -6.891
36 H LYS 9 H LYS 9 4.654 4.449 -5.733
37 HA LYS 9 HA LYS 9 5.039 6.362 -3.562
38 HB2 LYS 9 1HB LYS 9 2.791 4.339 -3.579
39 HB3 LYS 9 2HB LYS 9 3.219 5.387 -2.233
40 HG2 LYS 9 1HG LYS 9 2.784 7.324 -3.846
41 HG3 LYS 9 2HG LYS 9 1.986 6.122 -4.863
42 HD2 LYS 9 1HD LYS 9 0.735 5.524 -2.637
43 HD3 LYS 9 2HD LYS 9 1.208 7.161 -2.174
44 HE2 LYS 9 1HE LYS 9 -0.186 6.559 -4.769
45 HE3 LYS 9 2HE LYS 9 -1.070 6.879 -3.277
46 HZ1 LYS 9 3HZ LYS 9 -0.948 8.968 -4.131
47 HZ2 LYS 9 1HZ LYS 9 0.524 8.701 -4.921
48 HZ3 LYS 9 2HZ LYS 9 0.497 8.966 -3.251
49 HA PRO 10 HA PRO 10 7.765 3.225 -2.111
50 HB2 PRO 10 1HB PRO 10 7.936 3.973 0.493
51 HB3 PRO 10 2HB PRO 10 8.721 4.864 -0.816
52 HG2 PRO 10 1HG PRO 10 6.142 5.442 0.589
53 HG3 PRO 10 2HG PRO 10 7.433 6.562 0.115
54 HD2 PRO 10 1HD PRO 10 5.151 6.280 -1.316
55 HD3 PRO 10 2HD PRO 10 6.709 6.668 -2.071
56 H TYR 11 H TYR 11 5.078 3.928 0.135
57 HA TYR 11 HA TYR 11 5.077 1.262 1.187
58 HB2 TYR 11 1HB TYR 11 2.930 3.366 1.488
59 HB3 TYR 11 2HB TYR 11 3.209 1.975 2.529
60 HD1 TYR 11 HD2 TYR 11 4.412 5.314 1.584
61 HD2 TYR 11 HD1 TYR 11 4.956 1.997 4.193
62 HE1 TYR 11 HE2 TYR 11 5.871 6.684 3.013
63 HE2 TYR 11 HE1 TYR 11 6.416 3.359 5.630
64 HH TYR 11 HH TYR 11 6.753 6.783 5.185
65 H VAL 12 H VAL 12 3.826 -0.440 0.648
66 HA VAL 12 HA VAL 12 1.575 -0.076 -1.171
67 HB VAL 12 HB VAL 12 3.892 -1.908 -1.807
68 HG11 VAL 12 1HG1 VAL 12 1.791 -1.584 -3.808
69 HG12 VAL 12 2HG1 VAL 12 2.604 -3.044 -3.242
70 HG13 VAL 12 3HG1 VAL 12 1.245 -2.382 -2.333
71 HG21 VAL 12 3HG2 VAL 12 2.814 0.492 -3.284
72 HG22 VAL 12 1HG2 VAL 12 4.315 0.436 -2.361
73 HG23 VAL 12 2HG2 VAL 12 4.138 -0.543 -3.817
74 H CYS 13 H CYS 13 -0.043 -1.054 -0.157
75 HA CYS 13 HA CYS 13 0.106 -2.853 1.921
76 HB2 CYS 13 1HB CYS 13 -1.970 -1.762 1.477
77 HB3 CYS 13 2HB CYS 13 -2.054 -2.440 -0.146
78 H SER 14 H SER 14 -0.316 -5.123 2.069
79 HA SER 14 HA SER 14 0.753 -6.600 -0.235
80 HB2 SER 14 1HB SER 14 1.441 -8.308 1.317
81 HB3 SER 14 2HB SER 14 1.959 -6.752 1.966
82 HG SER 14 HG SER 14 0.620 -8.500 3.257
83 H ASP 15 H ASP 15 -1.933 -6.428 2.008
84 HA ASP 15 HA ASP 15 -3.216 -8.831 1.435
85 HB2 ASP 15 1HB ASP 15 -4.119 -6.159 2.415
86 HB3 ASP 15 2HB ASP 15 -5.344 -7.326 1.923
87 H CYS 16 H CYS 16 -4.051 -5.643 0.062
88 HA CYS 16 HA CYS 16 -5.251 -7.015 -2.233
89 HB2 CYS 16 1HB CYS 16 -6.282 -4.818 -2.731
90 HB3 CYS 16 2HB CYS 16 -6.692 -5.404 -1.122
91 H GLY 17 H GLY 17 -2.841 -4.568 -1.404
92 HA2 GLY 17 1HA GLY 17 -0.779 -4.574 -2.722
93 HA3 GLY 17 2HA GLY 17 -1.775 -4.840 -4.146
94 H LYS 18 H LYS 18 -2.999 -2.635 -1.824
95 HA LYS 18 HA LYS 18 -3.078 -0.492 -3.647
96 HB2 LYS 18 1HB LYS 18 -4.463 -0.972 -1.468
97 HB3 LYS 18 2HB LYS 18 -3.195 -0.034 -0.690
98 HG2 LYS 18 1HG LYS 18 -3.831 1.916 -1.684
99 HG3 LYS 18 2HG LYS 18 -4.495 1.105 -3.105
100 HD2 LYS 18 1HD LYS 18 -5.757 0.893 -0.382
101 HD3 LYS 18 2HD LYS 18 -6.166 2.179 -1.520
102 HE2 LYS 18 1HE LYS 18 -6.303 -0.731 -2.262
103 HE3 LYS 18 2HE LYS 18 -7.657 0.113 -1.512
104 HZ1 LYS 18 3HZ LYS 18 -7.563 -0.017 -4.050
105 HZ2 LYS 18 1HZ LYS 18 -6.371 1.179 -3.944
106 HZ3 LYS 18 2HZ LYS 18 -7.925 1.479 -3.348
107 H ALA 19 H ALA 19 -2.213 1.764 -2.869
108 HA ALA 19 HA ALA 19 0.557 1.518 -1.932
109 HB1 ALA 19 3HB ALA 19 -0.364 2.595 -4.552
110 HB2 ALA 19 1HB ALA 19 1.027 3.340 -3.763
111 HB3 ALA 19 2HB ALA 19 1.056 1.623 -4.167
112 H PHE 20 H PHE 20 1.379 3.324 -0.876
113 HA PHE 20 HA PHE 20 -0.338 5.667 -0.594
114 HB2 PHE 20 1HB PHE 20 0.621 4.016 1.753
115 HB3 PHE 20 2HB PHE 20 -0.148 5.595 1.879
116 HD1 PHE 20 HD1 PHE 20 -2.517 5.866 1.437
117 HD2 PHE 20 HD2 PHE 20 -0.651 2.047 1.205
118 HE1 PHE 20 HE1 PHE 20 -4.728 4.786 1.479
119 HE2 PHE 20 HE2 PHE 20 -2.858 0.962 1.246
120 HZ PHE 20 HZ PHE 20 -4.901 2.331 1.382
121 H THR 21 H THR 21 0.743 7.542 0.039
122 HA THR 21 HA THR 21 3.564 7.548 -0.546
123 HB THR 21 HB THR 21 1.792 9.838 0.329
124 HG1 THR 21 HG1 THR 21 2.031 10.269 -2.053
125 HG21 THR 21 3HG2 THR 21 4.137 10.334 0.689
126 HG22 THR 21 1HG2 THR 21 3.550 11.241 -0.704
127 HG23 THR 21 2HG2 THR 21 4.531 9.795 -0.943
128 H PHE 22 H PHE 22 1.527 8.173 2.283
129 HA PHE 22 HA PHE 22 3.930 8.424 3.944
130 HB2 PHE 22 1HB PHE 22 1.048 8.935 4.704
131 HB3 PHE 22 2HB PHE 22 2.473 9.335 5.657
132 HD1 PHE 22 HD1 PHE 22 4.247 10.807 4.249
133 HD2 PHE 22 HD2 PHE 22 0.040 10.671 3.614
134 HE1 PHE 22 HE1 PHE 22 4.340 13.022 3.181
135 HE2 PHE 22 HE2 PHE 22 0.127 12.886 2.545
136 HZ PHE 22 HZ PHE 22 2.279 14.064 2.327
137 H LYS 23 H LYS 23 4.231 7.158 5.799
138 HA LYS 23 HA LYS 23 3.549 4.448 5.560
139 HB2 LYS 23 1HB LYS 23 5.533 5.312 6.780
140 HB3 LYS 23 2HB LYS 23 4.465 5.906 8.045
141 HG2 LYS 23 1HG LYS 23 3.895 3.743 8.737
142 HG3 LYS 23 2HG LYS 23 4.522 3.013 7.257
143 HD2 LYS 23 1HD LYS 23 6.800 3.908 7.989
144 HD3 LYS 23 2HD LYS 23 6.053 4.180 9.566
145 HE2 LYS 23 1HE LYS 23 5.504 1.828 9.744
146 HE3 LYS 23 2HE LYS 23 6.135 1.531 8.125
147 HZ1 LYS 23 3HZ LYS 23 7.529 1.382 10.488
148 HZ2 LYS 23 1HZ LYS 23 8.073 2.810 9.763
149 HZ3 LYS 23 2HZ LYS 23 8.179 1.344 8.927
150 H SER 24 H SER 24 2.413 6.842 7.949
151 HA SER 24 HA SER 24 0.607 5.309 9.326
152 HB2 SER 24 1HB SER 24 0.591 8.226 8.590
153 HB3 SER 24 2HB SER 24 -0.721 7.526 9.538
154 HG SER 24 HG SER 24 0.821 8.294 10.951
155 H GLN 25 H GLN 25 0.055 7.056 6.288
156 HA GLN 25 HA GLN 25 -2.634 6.656 5.933
157 HB2 GLN 25 1HB GLN 25 -0.354 6.732 3.978
158 HB3 GLN 25 2HB GLN 25 -2.005 6.483 3.424
159 HG2 GLN 25 1HG GLN 25 -1.016 8.848 5.003
160 HG3 GLN 25 2HG GLN 25 -1.342 8.821 3.271
161 HE21 GLN 25 1HE2 GLN 25 -3.624 7.970 2.761
162 HE22 GLN 25 2HE2 GLN 25 -4.898 8.651 3.709
163 H LEU 26 H LEU 26 -0.007 4.395 5.198
164 HA LEU 26 HA LEU 26 -1.630 2.383 4.062
165 HB2 LEU 26 1HB LEU 26 0.729 2.382 3.668
166 HB3 LEU 26 2HB LEU 26 1.068 2.271 5.394
167 HG LEU 26 HG LEU 26 0.131 -0.004 5.412
168 HD11 LEU 26 1HD1 LEU 26 -0.605 -1.114 3.495
169 HD12 LEU 26 2HD1 LEU 26 0.072 0.105 2.416
170 HD13 LEU 26 3HD1 LEU 26 -1.353 0.480 3.384
171 HD21 LEU 26 3HD2 LEU 26 2.236 -0.622 5.088
172 HD22 LEU 26 1HD2 LEU 26 2.554 0.867 4.197
173 HD23 LEU 26 2HD2 LEU 26 1.980 -0.566 3.344
174 H ILE 27 H ILE 27 -0.200 2.631 7.320
175 HA ILE 27 HA ILE 27 -1.206 0.378 8.487
176 HB ILE 27 HB ILE 27 -1.030 3.105 9.775
177 HG12 ILE 27 1HG1 ILE 27 0.996 0.929 10.112
178 HG13 ILE 27 2HG1 ILE 27 1.034 1.908 8.649
179 HG21 ILE 27 1HG2 ILE 27 -1.694 0.425 10.814
180 HG22 ILE 27 2HG2 ILE 27 -0.560 1.374 11.773
181 HG23 ILE 27 3HG2 ILE 27 -2.159 2.020 11.404
182 HD11 ILE 27 3HD1 ILE 27 0.800 3.707 10.785
183 HD12 ILE 27 1HD1 ILE 27 2.010 2.516 11.264
184 HD13 ILE 27 2HD1 ILE 27 2.205 3.415 9.759
185 H VAL 28 H VAL 28 -2.881 3.482 8.097
186 HA VAL 28 HA VAL 28 -5.251 2.733 9.438
187 HB VAL 28 HB VAL 28 -4.864 4.807 7.275
188 HG11 VAL 28 1HG1 VAL 28 -7.073 4.704 9.312
189 HG12 VAL 28 2HG1 VAL 28 -6.946 5.735 7.886
190 HG13 VAL 28 3HG1 VAL 28 -7.231 4.004 7.702
191 HG21 VAL 28 3HG2 VAL 28 -3.580 4.879 9.564
192 HG22 VAL 28 1HG2 VAL 28 -4.318 6.337 8.898
193 HG23 VAL 28 2HG2 VAL 28 -5.137 5.438 10.176
194 H HIS 29 H HIS 29 -4.305 2.621 6.026
195 HA HIS 29 HA HIS 29 -6.771 1.809 4.972
196 HB2 HIS 29 1HB HIS 29 -5.273 2.487 3.341
197 HB3 HIS 29 2HB HIS 29 -3.929 1.604 4.060
198 HD1 HIS 29 HD1 HIS 29 -7.036 1.014 1.990
199 HD2 HIS 29 HD2 HIS 29 -3.494 -0.897 3.022
200 HE1 HIS 29 HE1 HIS 29 -6.930 -1.036 0.538
201 H GLN 30 H GLN 30 -3.918 -0.222 5.667
202 HA GLN 30 HA GLN 30 -4.821 -2.697 5.158
203 HB2 GLN 30 1HB GLN 30 -3.280 -1.808 7.598
204 HB3 GLN 30 2HB GLN 30 -3.497 -3.493 7.146
205 HG2 GLN 30 1HG GLN 30 -2.505 -2.696 4.863
206 HG3 GLN 30 2HG GLN 30 -1.869 -1.373 5.839
207 HE21 GLN 30 1HE2 GLN 30 0.124 -1.707 6.478
208 HE22 GLN 30 2HE2 GLN 30 0.828 -3.230 6.888
209 H GLY 31 H GLY 31 -5.951 -0.627 7.723
210 HA2 GLY 31 1HA GLY 31 -7.213 -2.486 9.377
211 HA3 GLY 31 2HA GLY 31 -7.723 -0.817 9.168
212 H ILE 32 H ILE 32 -8.490 -0.801 6.521
213 HA ILE 32 HA ILE 32 -11.104 -1.547 6.547
214 HB ILE 32 HB ILE 32 -11.127 -1.443 4.135
215 HG12 ILE 32 1HG1 ILE 32 -8.682 -1.037 3.129
216 HG13 ILE 32 2HG1 ILE 32 -8.241 -2.098 4.462
217 HG21 ILE 32 1HG2 ILE 32 -10.971 0.750 4.441
218 HG22 ILE 32 2HG2 ILE 32 -9.884 0.526 5.810
219 HG23 ILE 32 3HG2 ILE 32 -9.233 0.622 4.174
220 HD11 ILE 32 3HD1 ILE 32 -8.599 -3.294 2.345
221 HD12 ILE 32 1HD1 ILE 32 -9.693 -3.822 3.623
222 HD13 ILE 32 2HD1 ILE 32 -10.277 -2.753 2.348
223 H HIS 33 H HIS 33 -8.343 -3.586 5.880
224 HA HIS 33 HA HIS 33 -9.762 -5.781 4.785
225 HB2 HIS 33 1HB HIS 33 -7.076 -5.623 6.161
226 HB3 HIS 33 2HB HIS 33 -7.694 -7.078 5.384
227 HD1 HIS 33 HD1 HIS 33 -8.730 -6.058 2.761
228 HD2 HIS 33 HD2 HIS 33 -5.201 -4.675 4.463
229 HE1 HIS 33 HE1 HIS 33 -7.382 -5.127 0.852
230 H THR 34 H THR 34 -8.126 -5.665 7.949
231 HA THR 34 HA THR 34 -9.450 -7.847 9.056
232 HB THR 34 HB THR 34 -7.462 -7.015 10.115
233 HG1 THR 34 HG1 THR 34 -8.893 -7.993 11.559
234 HG21 THR 34 3HG2 THR 34 -7.637 -4.660 9.602
235 HG22 THR 34 1HG2 THR 34 -7.470 -4.858 11.346
236 HG23 THR 34 2HG2 THR 34 -9.049 -4.501 10.646
237 H GLY 35 H GLY 35 -10.626 -4.714 8.409
238 HA2 GLY 35 1HA GLY 35 -12.744 -4.879 10.416
239 HA3 GLY 35 2HA GLY 35 -12.426 -3.519 9.349
240 H VAL 36 H VAL 36 -13.780 -3.231 7.708
241 HA VAL 36 HA VAL 36 -16.077 -4.675 7.292
242 HB VAL 36 HB VAL 36 -14.533 -3.055 5.264
243 HG11 VAL 36 1HG1 VAL 36 -17.167 -2.912 4.542
244 HG12 VAL 36 2HG1 VAL 36 -15.956 -3.946 3.781
245 HG13 VAL 36 3HG1 VAL 36 -17.007 -4.596 5.041
246 HG21 VAL 36 3HG2 VAL 36 -15.720 -2.217 7.581
247 HG22 VAL 36 1HG2 VAL 36 -15.436 -1.211 6.161
248 HG23 VAL 36 2HG2 VAL 36 -17.006 -1.980 6.398
249 H SER 37 H SER 37 -16.661 -6.465 6.202
250 HA SER 37 HA SER 37 -14.531 -7.933 4.797
251 HB2 SER 37 1HB SER 37 -15.493 -9.020 6.835
252 HB3 SER 37 2HB SER 37 -17.058 -9.062 6.023
253 HG SER 37 HG SER 37 -14.699 -10.247 4.986
254 H GLY 38 H GLY 38 -15.331 -9.405 3.036
255 HA2 GLY 38 1HA GLY 38 -17.761 -9.159 1.734
256 HA3 GLY 38 2HA GLY 38 -16.750 -7.866 1.108
257 HA PRO 39 HA PRO 39 -16.002 -11.570 -1.535
258 HB2 PRO 39 1HB PRO 39 -15.951 -10.173 -3.861
259 HB3 PRO 39 2HB PRO 39 -17.447 -10.767 -3.130
260 HG2 PRO 39 1HG PRO 39 -16.246 -8.027 -3.026
261 HG3 PRO 39 2HG PRO 39 -17.938 -8.498 -3.271
262 HD2 PRO 39 1HD PRO 39 -16.994 -7.648 -0.879
263 HD3 PRO 39 2HD PRO 39 -18.298 -8.844 -1.020
264 H SER 40 H SER 40 -14.291 -8.971 -0.458
265 HA SER 40 HA SER 40 -12.138 -8.703 -2.207
266 HB2 SER 40 1HB SER 40 -10.878 -7.872 -0.253
267 HB3 SER 40 2HB SER 40 -12.501 -7.185 -0.320
268 HG SER 40 HG SER 40 -11.899 -7.934 1.786
269 H SER 41 H SER 41 -12.573 -10.932 0.522
270 HA SER 41 HA SER 41 -10.041 -12.195 0.194
271 HB2 SER 41 1HB SER 41 -12.521 -13.186 1.623
272 HB3 SER 41 2HB SER 41 -10.899 -13.858 1.792
273 HG SER 41 HG SER 41 -10.424 -12.307 3.123
274 H GLY 42 H GLY 42 -9.547 -13.295 -1.591
275 HA2 GLY 42 1HA GLY 42 -10.245 -15.699 -2.382
276 HA3 GLY 42 2HA GLY 42 -11.636 -14.807 -2.980
Start of MODEL 8
1 H1 GLY 1 H GLY 1 1.068 -2.306 -23.069
2 HA2 GLY 1 1HA GLY 1 0.394 -4.161 -21.014
3 HA3 GLY 1 2HA GLY 1 2.096 -3.733 -20.937
4 H SER 2 H SER 2 -0.425 -3.149 -19.268
5 HA SER 2 HA SER 2 0.068 -0.253 -19.027
6 HB2 SER 2 1HB SER 2 -2.551 -1.718 -18.626
7 HB3 SER 2 2HB SER 2 -2.288 -0.010 -18.278
8 HG SER 2 HG SER 2 -1.616 -0.945 -20.821
9 H SER 3 H SER 3 1.659 -0.669 -17.440
10 HA SER 3 HA SER 3 0.877 -2.052 -15.009
11 HB2 SER 3 1HB SER 3 3.203 -1.582 -14.283
12 HB3 SER 3 2HB SER 3 3.141 -2.399 -15.845
13 HG SER 3 HG SER 3 4.320 -0.793 -16.500
14 H GLY 4 H GLY 4 2.086 1.203 -15.841
15 HA2 GLY 4 1HA GLY 4 0.218 2.635 -14.369
16 HA3 GLY 4 2HA GLY 4 1.554 2.300 -13.278
17 H SER 5 H SER 5 0.403 4.747 -14.814
18 HA SER 5 HA SER 5 2.799 5.616 -16.230
19 HB2 SER 5 1HB SER 5 0.811 6.176 -17.393
20 HB3 SER 5 2HB SER 5 0.031 6.777 -15.930
21 HG SER 5 HG SER 5 2.400 8.010 -16.728
22 H SER 6 H SER 6 0.848 6.513 -13.417
23 HA SER 6 HA SER 6 3.170 7.963 -12.360
24 HB2 SER 6 1HB SER 6 0.400 9.016 -12.771
25 HB3 SER 6 2HB SER 6 1.317 9.566 -11.370
26 HG SER 6 HG SER 6 2.915 10.322 -12.752
27 H GLY 7 H GLY 7 3.143 8.222 -10.027
28 HA2 GLY 7 1HA GLY 7 2.327 7.690 -7.865
29 HA3 GLY 7 2HA GLY 7 1.253 6.503 -8.590
30 H GLU 8 H GLU 8 4.479 7.141 -7.439
31 HA GLU 8 HA GLU 8 5.027 4.248 -7.556
32 HB2 GLU 8 1HB GLU 8 7.481 4.953 -7.663
33 HB3 GLU 8 2HB GLU 8 6.523 5.161 -9.122
34 HG2 GLU 8 1HG GLU 8 8.078 7.052 -8.494
35 HG3 GLU 8 2HG GLU 8 6.407 7.483 -8.852
36 H LYS 9 H LYS 9 3.737 5.267 -5.393
37 HA LYS 9 HA LYS 9 5.292 6.268 -3.306
38 HB2 LYS 9 1HB LYS 9 2.863 4.472 -3.228
39 HB3 LYS 9 2HB LYS 9 3.551 5.257 -1.813
40 HG2 LYS 9 1HG LYS 9 1.909 6.743 -2.340
41 HG3 LYS 9 2HG LYS 9 3.245 7.423 -3.271
42 HD2 LYS 9 1HD LYS 9 2.365 6.755 -5.279
43 HD3 LYS 9 2HD LYS 9 1.513 5.380 -4.571
44 HE2 LYS 9 1HE LYS 9 0.747 8.269 -4.166
45 HE3 LYS 9 2HE LYS 9 0.009 7.195 -5.353
46 HZ1 LYS 9 3HZ LYS 9 -0.674 7.501 -2.674
47 HZ2 LYS 9 1HZ LYS 9 -0.018 5.949 -2.831
48 HZ3 LYS 9 2HZ LYS 9 -1.329 6.413 -3.792
49 HA PRO 10 HA PRO 10 7.915 2.930 -2.149
50 HB2 PRO 10 1HB PRO 10 8.351 3.590 0.449
51 HB3 PRO 10 2HB PRO 10 9.078 4.470 -0.901
52 HG2 PRO 10 1HG PRO 10 6.666 5.162 0.732
53 HG3 PRO 10 2HG PRO 10 7.981 6.215 0.177
54 HD2 PRO 10 1HD PRO 10 5.574 6.114 -1.061
55 HD3 PRO 10 2HD PRO 10 7.086 6.429 -1.937
56 H TYR 11 H TYR 11 5.359 3.727 0.205
57 HA TYR 11 HA TYR 11 5.319 1.053 1.265
58 HB2 TYR 11 1HB TYR 11 3.313 3.274 1.698
59 HB3 TYR 11 2HB TYR 11 3.535 1.840 2.696
60 HD1 TYR 11 HD2 TYR 11 4.918 5.116 1.787
61 HD2 TYR 11 HD1 TYR 11 5.355 1.695 4.278
62 HE1 TYR 11 HE2 TYR 11 6.524 6.347 3.185
63 HE2 TYR 11 HE1 TYR 11 6.961 2.916 5.684
64 HH TYR 11 HH TYR 11 7.926 6.244 4.904
65 H VAL 12 H VAL 12 4.232 -0.615 0.475
66 HA VAL 12 HA VAL 12 1.830 -0.116 -1.147
67 HB VAL 12 HB VAL 12 4.031 -2.070 -1.830
68 HG11 VAL 12 1HG1 VAL 12 2.107 -1.785 -3.903
69 HG12 VAL 12 2HG1 VAL 12 2.540 -3.233 -2.992
70 HG13 VAL 12 3HG1 VAL 12 1.257 -2.173 -2.408
71 HG21 VAL 12 3HG2 VAL 12 4.416 0.363 -2.358
72 HG22 VAL 12 1HG2 VAL 12 4.457 -0.729 -3.743
73 HG23 VAL 12 2HG2 VAL 12 3.031 0.267 -3.446
74 H CYS 13 H CYS 13 0.150 -1.093 -0.250
75 HA CYS 13 HA CYS 13 0.236 -2.850 1.891
76 HB2 CYS 13 1HB CYS 13 -1.805 -1.724 1.482
77 HB3 CYS 13 2HB CYS 13 -1.890 -2.313 -0.175
78 H SER 14 H SER 14 -0.257 -5.100 2.064
79 HA SER 14 HA SER 14 0.793 -6.640 -0.201
80 HB2 SER 14 1HB SER 14 1.023 -8.472 1.539
81 HB3 SER 14 2HB SER 14 2.034 -7.050 1.798
82 HG SER 14 HG SER 14 -0.495 -7.078 2.976
83 H ASP 15 H ASP 15 -1.983 -6.307 1.904
84 HA ASP 15 HA ASP 15 -3.356 -8.652 1.272
85 HB2 ASP 15 1HB ASP 15 -4.551 -5.934 1.857
86 HB3 ASP 15 2HB ASP 15 -5.372 -7.486 2.005
87 H CYS 16 H CYS 16 -4.166 -5.435 -0.035
88 HA CYS 16 HA CYS 16 -5.209 -6.743 -2.438
89 HB2 CYS 16 1HB CYS 16 -6.384 -4.681 -2.879
90 HB3 CYS 16 2HB CYS 16 -6.654 -5.133 -1.199
91 H GLY 17 H GLY 17 -2.962 -4.189 -1.442
92 HA2 GLY 17 1HA GLY 17 -0.818 -4.114 -2.642
93 HA3 GLY 17 2HA GLY 17 -1.730 -4.381 -4.121
94 H LYS 18 H LYS 18 -3.019 -2.254 -1.717
95 HA LYS 18 HA LYS 18 -2.991 -0.056 -3.558
96 HB2 LYS 18 1HB LYS 18 -4.783 -0.635 -1.792
97 HB3 LYS 18 2HB LYS 18 -3.704 0.144 -0.642
98 HG2 LYS 18 1HG LYS 18 -3.974 2.235 -1.609
99 HG3 LYS 18 2HG LYS 18 -4.553 1.562 -3.135
100 HD2 LYS 18 1HD LYS 18 -6.653 0.997 -2.190
101 HD3 LYS 18 2HD LYS 18 -6.074 1.295 -0.550
102 HE2 LYS 18 1HE LYS 18 -6.023 3.627 -0.885
103 HE3 LYS 18 2HE LYS 18 -6.168 3.459 -2.634
104 HZ1 LYS 18 3HZ LYS 18 -8.212 3.927 -0.901
105 HZ2 LYS 18 1HZ LYS 18 -8.361 2.273 -1.224
106 HZ3 LYS 18 2HZ LYS 18 -8.374 3.387 -2.497
107 H ALA 19 H ALA 19 -1.521 1.503 -3.748
108 HA ALA 19 HA ALA 19 0.793 1.497 -2.014
109 HB1 ALA 19 3HB ALA 19 0.710 3.663 -3.933
110 HB2 ALA 19 1HB ALA 19 1.862 2.337 -3.776
111 HB3 ALA 19 2HB ALA 19 0.368 2.105 -4.685
112 H PHE 20 H PHE 20 1.591 3.356 -0.907
113 HA PHE 20 HA PHE 20 -0.247 5.569 -0.473
114 HB2 PHE 20 1HB PHE 20 0.724 3.828 1.803
115 HB3 PHE 20 2HB PHE 20 -0.189 5.323 1.975
116 HD1 PHE 20 HD1 PHE 20 -2.545 5.422 1.253
117 HD2 PHE 20 HD2 PHE 20 -0.342 1.780 1.257
118 HE1 PHE 20 HE1 PHE 20 -4.649 4.153 1.119
119 HE2 PHE 20 HE2 PHE 20 -2.442 0.505 1.123
120 HZ PHE 20 HZ PHE 20 -4.599 1.691 1.053
121 H THR 21 H THR 21 0.857 7.408 -0.419
122 HA THR 21 HA THR 21 3.646 7.531 -0.633
123 HB THR 21 HB THR 21 1.845 9.775 0.290
124 HG1 THR 21 HG1 THR 21 2.077 10.178 -2.155
125 HG21 THR 21 3HG2 THR 21 3.511 11.245 -0.566
126 HG22 THR 21 1HG2 THR 21 4.403 9.913 -1.300
127 HG23 THR 21 2HG2 THR 21 4.344 10.074 0.455
128 H PHE 22 H PHE 22 1.513 8.046 2.148
129 HA PHE 22 HA PHE 22 3.883 8.211 3.879
130 HB2 PHE 22 1HB PHE 22 1.044 9.155 4.242
131 HB3 PHE 22 2HB PHE 22 2.167 9.035 5.592
132 HD1 PHE 22 HD1 PHE 22 4.461 10.248 5.243
133 HD2 PHE 22 HD2 PHE 22 0.907 11.129 3.073
134 HE1 PHE 22 HE1 PHE 22 5.348 12.479 4.703
135 HE2 PHE 22 HE2 PHE 22 1.788 13.361 2.529
136 HZ PHE 22 HZ PHE 22 4.012 14.038 3.343
137 H LYS 23 H LYS 23 4.212 6.775 5.509
138 HA LYS 23 HA LYS 23 3.189 4.198 5.328
139 HB2 LYS 23 1HB LYS 23 5.278 4.616 6.453
140 HB3 LYS 23 2HB LYS 23 4.483 5.617 7.660
141 HG2 LYS 23 1HG LYS 23 4.852 3.603 8.755
142 HG3 LYS 23 2HG LYS 23 3.160 3.508 8.261
143 HD2 LYS 23 1HD LYS 23 3.930 2.249 6.227
144 HD3 LYS 23 2HD LYS 23 5.536 2.189 6.958
145 HE2 LYS 23 1HE LYS 23 4.627 1.002 8.881
146 HE3 LYS 23 2HE LYS 23 3.007 1.099 8.193
147 HZ1 LYS 23 3HZ LYS 23 4.248 -0.069 6.192
148 HZ2 LYS 23 1HZ LYS 23 3.588 -0.953 7.475
149 HZ3 LYS 23 2HZ LYS 23 5.245 -0.617 7.443
150 H SER 24 H SER 24 2.236 6.848 7.481
151 HA SER 24 HA SER 24 0.440 5.550 9.114
152 HB2 SER 24 1HB SER 24 1.011 7.866 9.501
153 HB3 SER 24 2HB SER 24 0.281 8.346 7.969
154 HG SER 24 HG SER 24 -1.256 8.761 9.456
155 H GLN 25 H GLN 25 -0.189 6.992 5.928
156 HA GLN 25 HA GLN 25 -2.900 6.564 5.728
157 HB2 GLN 25 1HB GLN 25 -0.738 6.443 3.631
158 HB3 GLN 25 2HB GLN 25 -2.445 6.301 3.231
159 HG2 GLN 25 1HG GLN 25 -2.623 8.532 4.598
160 HG3 GLN 25 2HG GLN 25 -0.911 8.655 4.198
161 HE21 GLN 25 1HE2 GLN 25 -3.666 9.869 3.306
162 HE22 GLN 25 2HE2 GLN 25 -3.476 9.975 1.592
163 H LEU 26 H LEU 26 -0.280 4.285 5.012
164 HA LEU 26 HA LEU 26 -1.934 2.186 4.102
165 HB2 LEU 26 1HB LEU 26 0.424 2.227 3.600
166 HB3 LEU 26 2HB LEU 26 0.824 2.147 5.314
167 HG LEU 26 HG LEU 26 -0.211 -0.131 5.364
168 HD11 LEU 26 1HD1 LEU 26 -0.129 0.087 2.362
169 HD12 LEU 26 2HD1 LEU 26 -1.602 0.215 3.323
170 HD13 LEU 26 3HD1 LEU 26 -0.675 -1.285 3.327
171 HD21 LEU 26 3HD2 LEU 26 1.952 -0.640 5.266
172 HD22 LEU 26 1HD2 LEU 26 2.285 0.704 4.173
173 HD23 LEU 26 2HD2 LEU 26 1.749 -0.847 3.525
174 H ILE 27 H ILE 27 -0.299 2.623 7.243
175 HA ILE 27 HA ILE 27 -1.183 0.465 8.623
176 HB ILE 27 HB ILE 27 -1.033 3.295 9.666
177 HG12 ILE 27 1HG1 ILE 27 0.980 1.062 9.952
178 HG13 ILE 27 2HG1 ILE 27 1.042 2.239 8.644
179 HG21 ILE 27 1HG2 ILE 27 -2.170 2.336 11.383
180 HG22 ILE 27 2HG2 ILE 27 -1.613 0.710 10.991
181 HG23 ILE 27 3HG2 ILE 27 -0.541 1.831 11.831
182 HD11 ILE 27 3HD1 ILE 27 0.941 3.178 11.471
183 HD12 ILE 27 1HD1 ILE 27 2.458 2.593 10.788
184 HD13 ILE 27 2HD1 ILE 27 1.627 3.961 10.047
185 H VAL 28 H VAL 28 -3.010 3.462 8.098
186 HA VAL 28 HA VAL 28 -5.303 2.608 9.555
187 HB VAL 28 HB VAL 28 -5.063 4.764 7.451
188 HG11 VAL 28 1HG1 VAL 28 -7.224 5.241 7.727
189 HG12 VAL 28 2HG1 VAL 28 -7.369 3.656 8.490
190 HG13 VAL 28 3HG1 VAL 28 -7.114 5.093 9.481
191 HG21 VAL 28 3HG2 VAL 28 -5.222 6.145 9.696
192 HG22 VAL 28 1HG2 VAL 28 -4.520 4.675 10.374
193 HG23 VAL 28 2HG2 VAL 28 -3.676 5.546 9.094
194 H HIS 29 H HIS 29 -4.344 2.482 6.170
195 HA HIS 29 HA HIS 29 -6.818 1.716 5.081
196 HB2 HIS 29 1HB HIS 29 -5.270 2.387 3.483
197 HB3 HIS 29 2HB HIS 29 -3.967 1.443 4.201
198 HD1 HIS 29 HD1 HIS 29 -7.220 0.823 2.329
199 HD2 HIS 29 HD2 HIS 29 -3.473 -0.879 2.900
200 HE1 HIS 29 HE1 HIS 29 -7.142 -1.165 0.790
201 H GLN 30 H GLN 30 -4.032 -0.285 6.048
202 HA GLN 30 HA GLN 30 -4.875 -2.783 5.463
203 HB2 GLN 30 1HB GLN 30 -3.543 -1.865 8.014
204 HB3 GLN 30 2HB GLN 30 -3.699 -3.552 7.543
205 HG2 GLN 30 1HG GLN 30 -2.437 -3.019 5.466
206 HG3 GLN 30 2HG GLN 30 -2.169 -1.399 6.107
207 HE21 GLN 30 1HE2 GLN 30 -0.120 -3.181 5.427
208 HE22 GLN 30 2HE2 GLN 30 0.735 -3.604 6.866
209 H GLY 31 H GLY 31 -6.200 -0.687 7.914
210 HA2 GLY 31 1HA GLY 31 -7.594 -2.552 9.465
211 HA3 GLY 31 2HA GLY 31 -8.062 -0.873 9.241
212 H ILE 32 H ILE 32 -8.583 -0.874 6.502
213 HA ILE 32 HA ILE 32 -11.231 -1.660 6.389
214 HB ILE 32 HB ILE 32 -11.211 -1.184 4.082
215 HG12 ILE 32 1HG1 ILE 32 -8.799 -0.936 2.997
216 HG13 ILE 32 2HG1 ILE 32 -8.379 -2.116 4.234
217 HG21 ILE 32 1HG2 ILE 32 -9.070 0.645 4.302
218 HG22 ILE 32 2HG2 ILE 32 -10.792 0.946 4.534
219 HG23 ILE 32 3HG2 ILE 32 -9.785 0.479 5.905
220 HD11 ILE 32 3HD1 ILE 32 -9.554 -3.777 3.241
221 HD12 ILE 32 1HD1 ILE 32 -10.762 -2.679 2.574
222 HD13 ILE 32 2HD1 ILE 32 -9.177 -2.816 1.811
223 H HIS 33 H HIS 33 -8.359 -3.529 5.842
224 HA HIS 33 HA HIS 33 -9.728 -5.697 4.519
225 HB2 HIS 33 1HB HIS 33 -6.927 -5.438 5.625
226 HB3 HIS 33 2HB HIS 33 -7.524 -6.875 4.800
227 HD1 HIS 33 HD1 HIS 33 -8.857 -5.827 2.363
228 HD2 HIS 33 HD2 HIS 33 -5.358 -4.151 3.850
229 HE1 HIS 33 HE1 HIS 33 -7.799 -4.640 0.414
230 H THR 34 H THR 34 -8.219 -5.197 7.701
231 HA THR 34 HA THR 34 -8.870 -7.704 8.780
232 HB THR 34 HB THR 34 -8.578 -6.613 11.006
233 HG1 THR 34 HG1 THR 34 -8.612 -4.323 9.365
234 HG21 THR 34 3HG2 THR 34 -6.598 -6.455 8.800
235 HG22 THR 34 1HG2 THR 34 -6.538 -7.361 10.312
236 HG23 THR 34 2HG2 THR 34 -6.198 -5.630 10.307
237 H GLY 35 H GLY 35 -10.584 -4.591 8.964
238 HA2 GLY 35 1HA GLY 35 -13.032 -4.689 8.737
239 HA3 GLY 35 2HA GLY 35 -12.989 -6.099 9.785
240 H VAL 36 H VAL 36 -14.663 -4.667 10.862
241 HA VAL 36 HA VAL 36 -13.319 -2.873 12.779
242 HB VAL 36 HB VAL 36 -15.454 -1.660 13.003
243 HG11 VAL 36 1HG1 VAL 36 -15.345 -1.130 10.266
244 HG12 VAL 36 2HG1 VAL 36 -14.449 -0.312 11.547
245 HG13 VAL 36 3HG1 VAL 36 -13.726 -1.678 10.697
246 HG21 VAL 36 3HG2 VAL 36 -17.379 -2.331 12.081
247 HG22 VAL 36 1HG2 VAL 36 -16.616 -2.668 10.527
248 HG23 VAL 36 2HG2 VAL 36 -16.569 -3.874 11.813
249 H SER 37 H SER 37 -14.444 -2.700 14.894
250 HA SER 37 HA SER 37 -14.914 -5.310 15.956
251 HB2 SER 37 1HB SER 37 -15.374 -2.670 17.355
252 HB3 SER 37 2HB SER 37 -15.051 -4.237 18.097
253 HG SER 37 HG SER 37 -13.164 -3.007 18.057
254 H GLY 38 H GLY 38 -16.784 -6.310 16.456
255 HA2 GLY 38 1HA GLY 38 -19.274 -4.840 16.627
256 HA3 GLY 38 2HA GLY 38 -19.145 -5.892 15.225
257 HA PRO 39 HA PRO 39 -20.715 -9.181 17.671
258 HB2 PRO 39 1HB PRO 39 -19.722 -11.297 16.290
259 HB3 PRO 39 2HB PRO 39 -21.055 -10.301 15.694
260 HG2 PRO 39 1HG PRO 39 -18.148 -10.199 14.984
261 HG3 PRO 39 2HG PRO 39 -19.564 -10.087 13.922
262 HD2 PRO 39 1HD PRO 39 -18.167 -7.910 14.723
263 HD3 PRO 39 2HD PRO 39 -19.915 -7.863 14.416
264 H SER 40 H SER 40 -17.432 -8.452 17.446
265 HA SER 40 HA SER 40 -15.652 -8.890 18.797
266 HB2 SER 40 1HB SER 40 -17.448 -10.537 20.570
267 HB3 SER 40 2HB SER 40 -16.015 -9.611 21.016
268 HG SER 40 HG SER 40 -18.209 -8.270 19.902
269 H SER 41 H SER 41 -15.873 -10.437 16.589
270 HA SER 41 HA SER 41 -15.236 -13.164 17.496
271 HB2 SER 41 1HB SER 41 -17.108 -12.951 15.865
272 HB3 SER 41 2HB SER 41 -15.978 -12.249 14.706
273 HG SER 41 HG SER 41 -16.254 -14.501 14.390
274 H GLY 42 H GLY 42 -13.270 -14.036 17.107
275 HA2 GLY 42 1HA GLY 42 -11.358 -14.039 15.454
276 HA3 GLY 42 2HA GLY 42 -11.317 -12.303 15.726
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -14.527 8.684 -7.626
2 HA2 GLY 1 1HA GLY 1 -12.027 9.394 -7.597
3 HA3 GLY 1 2HA GLY 1 -12.611 8.412 -6.261
4 H SER 2 H SER 2 -10.795 8.421 -9.247
5 HA SER 2 HA SER 2 -10.215 5.673 -9.392
6 HB2 SER 2 1HB SER 2 -9.809 7.532 -11.144
7 HB3 SER 2 2HB SER 2 -8.290 7.806 -10.292
8 HG SER 2 HG SER 2 -8.134 5.353 -10.587
9 H SER 3 H SER 3 -8.566 4.434 -8.586
10 HA SER 3 HA SER 3 -7.534 5.078 -6.060
11 HB2 SER 3 1HB SER 3 -7.861 2.760 -7.125
12 HB3 SER 3 2HB SER 3 -6.294 3.027 -7.889
13 HG SER 3 HG SER 3 -6.477 3.475 -5.145
14 H GLY 4 H GLY 4 -5.761 4.719 -9.142
15 HA2 GLY 4 1HA GLY 4 -4.236 7.053 -8.858
16 HA3 GLY 4 2HA GLY 4 -3.320 5.723 -8.165
17 H SER 5 H SER 5 -4.712 7.034 -11.098
18 HA SER 5 HA SER 5 -4.269 5.144 -12.982
19 HB2 SER 5 1HB SER 5 -3.657 7.030 -14.548
20 HB3 SER 5 2HB SER 5 -5.146 7.278 -13.636
21 HG SER 5 HG SER 5 -3.642 8.413 -12.092
22 H SER 6 H SER 6 -1.801 7.209 -11.512
23 HA SER 6 HA SER 6 0.234 5.253 -12.144
24 HB2 SER 6 1HB SER 6 -0.050 6.972 -14.111
25 HB3 SER 6 2HB SER 6 0.840 8.050 -13.036
26 HG SER 6 HG SER 6 1.827 6.195 -14.612
27 H GLY 7 H GLY 7 1.650 5.126 -10.520
28 HA2 GLY 7 1HA GLY 7 2.649 7.360 -9.089
29 HA3 GLY 7 2HA GLY 7 1.384 6.571 -8.159
30 H GLU 8 H GLU 8 4.571 6.789 -8.328
31 HA GLU 8 HA GLU 8 5.137 3.940 -7.962
32 HB2 GLU 8 1HB GLU 8 6.835 6.354 -8.484
33 HB3 GLU 8 2HB GLU 8 7.555 4.910 -7.786
34 HG2 GLU 8 1HG GLU 8 6.098 5.074 -10.414
35 HG3 GLU 8 2HG GLU 8 7.842 4.952 -10.192
36 H LYS 9 H LYS 9 3.593 5.090 -5.963
37 HA LYS 9 HA LYS 9 4.878 6.176 -3.775
38 HB2 LYS 9 1HB LYS 9 2.509 4.349 -4.030
39 HB3 LYS 9 2HB LYS 9 3.087 4.842 -2.444
40 HG2 LYS 9 1HG LYS 9 2.408 6.998 -2.710
41 HG3 LYS 9 2HG LYS 9 2.608 6.962 -4.464
42 HD2 LYS 9 1HD LYS 9 0.630 5.236 -4.328
43 HD3 LYS 9 2HD LYS 9 0.319 6.041 -2.788
44 HE2 LYS 9 1HE LYS 9 0.607 7.476 -5.423
45 HE3 LYS 9 2HE LYS 9 -0.938 6.989 -4.728
46 HZ1 LYS 9 3HZ LYS 9 0.512 9.307 -4.210
47 HZ2 LYS 9 1HZ LYS 9 0.542 8.386 -2.791
48 HZ3 LYS 9 2HZ LYS 9 -0.937 8.809 -3.494
49 HA PRO 10 HA PRO 10 7.637 3.059 -2.333
50 HB2 PRO 10 1HB PRO 10 7.902 3.894 0.237
51 HB3 PRO 10 2HB PRO 10 8.651 4.731 -1.127
52 HG2 PRO 10 1HG PRO 10 6.125 5.385 0.340
53 HG3 PRO 10 2HG PRO 10 7.411 6.474 -0.214
54 HD2 PRO 10 1HD PRO 10 5.081 6.168 -1.558
55 HD3 PRO 10 2HD PRO 10 6.618 6.513 -2.377
56 H TYR 11 H TYR 11 5.038 3.869 -0.020
57 HA TYR 11 HA TYR 11 5.049 1.267 1.158
58 HB2 TYR 11 1HB TYR 11 2.898 3.384 1.338
59 HB3 TYR 11 2HB TYR 11 3.147 2.036 2.442
60 HD1 TYR 11 HD2 TYR 11 4.404 5.316 1.370
61 HD2 TYR 11 HD1 TYR 11 4.873 2.109 4.126
62 HE1 TYR 11 HE2 TYR 11 5.861 6.730 2.758
63 HE2 TYR 11 HE1 TYR 11 6.331 3.514 5.522
64 HH TYR 11 HH TYR 11 6.474 6.682 5.422
65 H VAL 12 H VAL 12 4.122 -0.516 0.418
66 HA VAL 12 HA VAL 12 1.784 -0.276 -1.353
67 HB VAL 12 HB VAL 12 4.136 -2.129 -1.754
68 HG11 VAL 12 1HG1 VAL 12 2.718 -3.524 -2.745
69 HG12 VAL 12 2HG1 VAL 12 1.377 -2.395 -2.532
70 HG13 VAL 12 3HG1 VAL 12 2.417 -2.274 -3.952
71 HG21 VAL 12 3HG2 VAL 12 3.987 0.435 -2.525
72 HG22 VAL 12 1HG2 VAL 12 4.813 -0.809 -3.464
73 HG23 VAL 12 2HG2 VAL 12 3.171 -0.328 -3.890
74 H CYS 13 H CYS 13 0.141 -1.121 -0.253
75 HA CYS 13 HA CYS 13 0.244 -2.798 1.932
76 HB2 CYS 13 1HB CYS 13 -1.786 -1.618 1.350
77 HB3 CYS 13 2HB CYS 13 -1.931 -2.526 -0.151
78 H SER 14 H SER 14 -0.189 -5.035 2.224
79 HA SER 14 HA SER 14 0.829 -6.674 0.016
80 HB2 SER 14 1HB SER 14 1.465 -8.295 1.647
81 HB3 SER 14 2HB SER 14 1.932 -6.726 2.303
82 HG SER 14 HG SER 14 0.852 -8.034 3.848
83 H ASP 15 H ASP 15 -1.938 -6.207 2.086
84 HA ASP 15 HA ASP 15 -3.289 -8.617 1.606
85 HB2 ASP 15 1HB ASP 15 -4.287 -5.850 2.284
86 HB3 ASP 15 2HB ASP 15 -5.361 -7.241 2.148
87 H CYS 16 H CYS 16 -4.130 -5.457 0.181
88 HA CYS 16 HA CYS 16 -5.185 -6.874 -2.159
89 HB2 CYS 16 1HB CYS 16 -6.315 -4.726 -2.675
90 HB3 CYS 16 2HB CYS 16 -6.758 -5.367 -1.096
91 H GLY 17 H GLY 17 -3.013 -4.223 -1.257
92 HA2 GLY 17 1HA GLY 17 -0.883 -4.174 -2.528
93 HA3 GLY 17 2HA GLY 17 -1.859 -4.386 -3.974
94 H LYS 18 H LYS 18 -3.189 -2.351 -1.566
95 HA LYS 18 HA LYS 18 -3.189 -0.098 -3.294
96 HB2 LYS 18 1HB LYS 18 -4.850 -0.731 -1.407
97 HB3 LYS 18 2HB LYS 18 -3.703 0.064 -0.337
98 HG2 LYS 18 1HG LYS 18 -4.133 2.146 -1.194
99 HG3 LYS 18 2HG LYS 18 -4.658 1.514 -2.756
100 HD2 LYS 18 1HD LYS 18 -6.254 0.884 -0.313
101 HD3 LYS 18 2HD LYS 18 -6.402 2.480 -1.054
102 HE2 LYS 18 1HE LYS 18 -6.791 -0.144 -2.491
103 HE3 LYS 18 2HE LYS 18 -8.092 0.871 -1.872
104 HZ1 LYS 18 3HZ LYS 18 -7.974 2.162 -3.656
105 HZ2 LYS 18 1HZ LYS 18 -6.923 1.032 -4.349
106 HZ3 LYS 18 2HZ LYS 18 -6.301 2.360 -3.506
107 H ALA 19 H ALA 19 -1.650 1.360 -3.609
108 HA ALA 19 HA ALA 19 0.676 1.399 -1.864
109 HB1 ALA 19 3HB ALA 19 1.838 2.282 -3.606
110 HB2 ALA 19 1HB ALA 19 0.538 1.512 -4.516
111 HB3 ALA 19 2HB ALA 19 0.474 3.242 -4.177
112 H PHE 20 H PHE 20 1.581 3.421 -1.084
113 HA PHE 20 HA PHE 20 -0.205 5.699 -0.890
114 HB2 PHE 20 1HB PHE 20 0.755 4.276 1.601
115 HB3 PHE 20 2HB PHE 20 -0.193 5.758 1.550
116 HD1 PHE 20 HD2 PHE 20 -0.255 2.130 1.011
117 HD2 PHE 20 HD1 PHE 20 -2.547 5.714 1.137
118 HE1 PHE 20 HE2 PHE 20 -2.325 0.801 1.043
119 HE2 PHE 20 HE1 PHE 20 -4.621 4.390 1.171
120 HZ PHE 20 HZ PHE 20 -4.512 1.930 1.123
121 H THR 21 H THR 21 0.831 7.613 -0.188
122 HA THR 21 HA THR 21 3.651 7.665 -0.779
123 HB THR 21 HB THR 21 1.774 9.891 0.038
124 HG1 THR 21 HG1 THR 21 2.750 8.967 -2.469
125 HG21 THR 21 3HG2 THR 21 4.189 10.633 -1.405
126 HG22 THR 21 1HG2 THR 21 4.537 9.906 0.163
127 HG23 THR 21 2HG2 THR 21 3.494 11.324 0.060
128 H PHE 22 H PHE 22 1.602 8.185 2.053
129 HA PHE 22 HA PHE 22 4.023 8.383 3.712
130 HB2 PHE 22 1HB PHE 22 1.194 9.191 4.413
131 HB3 PHE 22 2HB PHE 22 2.626 9.447 5.404
132 HD1 PHE 22 HD1 PHE 22 4.550 10.801 4.218
133 HD2 PHE 22 HD2 PHE 22 0.446 10.916 3.098
134 HE1 PHE 22 HE1 PHE 22 4.910 12.981 3.136
135 HE2 PHE 22 HE2 PHE 22 0.799 13.096 2.013
136 HZ PHE 22 HZ PHE 22 3.034 14.131 2.031
137 H LYS 23 H LYS 23 4.294 7.061 5.488
138 HA LYS 23 HA LYS 23 3.343 4.452 5.349
139 HB2 LYS 23 1HB LYS 23 5.388 5.230 6.575
140 HB3 LYS 23 2HB LYS 23 4.334 5.839 7.844
141 HG2 LYS 23 1HG LYS 23 3.429 3.425 7.936
142 HG3 LYS 23 2HG LYS 23 4.907 3.010 7.064
143 HD2 LYS 23 1HD LYS 23 4.939 4.616 9.606
144 HD3 LYS 23 2HD LYS 23 4.976 2.851 9.607
145 HE2 LYS 23 1HE LYS 23 6.994 2.931 8.183
146 HE3 LYS 23 2HE LYS 23 6.970 4.691 8.287
147 HZ1 LYS 23 3HZ LYS 23 8.429 4.137 9.949
148 HZ2 LYS 23 1HZ LYS 23 7.611 2.718 10.369
149 HZ3 LYS 23 2HZ LYS 23 6.985 4.221 10.824
150 H SER 24 H SER 24 2.365 7.033 7.603
151 HA SER 24 HA SER 24 0.500 5.777 9.118
152 HB2 SER 24 1HB SER 24 0.542 8.554 7.968
153 HB3 SER 24 2HB SER 24 -0.802 8.023 8.978
154 HG SER 24 HG SER 24 1.171 7.307 10.376
155 H GLN 25 H GLN 25 -0.130 7.224 5.926
156 HA GLN 25 HA GLN 25 -2.802 6.681 5.656
157 HB2 GLN 25 1HB GLN 25 -0.576 6.676 3.634
158 HB3 GLN 25 2HB GLN 25 -2.244 6.384 3.160
159 HG2 GLN 25 1HG GLN 25 -1.557 8.802 4.766
160 HG3 GLN 25 2HG GLN 25 -1.254 8.777 3.029
161 HE21 GLN 25 1HE2 GLN 25 -3.257 10.092 4.990
162 HE22 GLN 25 2HE2 GLN 25 -4.769 9.906 4.175
163 H LEU 26 H LEU 26 -0.092 4.488 5.019
164 HA LEU 26 HA LEU 26 -1.714 2.328 4.128
165 HB2 LEU 26 1HB LEU 26 0.588 2.424 3.479
166 HB3 LEU 26 2HB LEU 26 1.112 2.444 5.161
167 HG LEU 26 HG LEU 26 0.203 0.120 5.383
168 HD11 LEU 26 1HD1 LEU 26 0.214 -0.879 2.862
169 HD12 LEU 26 2HD1 LEU 26 -0.554 0.687 2.606
170 HD13 LEU 26 3HD1 LEU 26 -1.241 -0.452 3.764
171 HD21 LEU 26 3HD2 LEU 26 2.127 -0.900 4.483
172 HD22 LEU 26 1HD2 LEU 26 2.613 0.742 4.903
173 HD23 LEU 26 2HD2 LEU 26 2.284 0.324 3.222
174 H ILE 27 H ILE 27 0.076 2.829 7.175
175 HA ILE 27 HA ILE 27 -0.656 0.639 8.597
176 HB ILE 27 HB ILE 27 -0.547 3.468 9.648
177 HG12 ILE 27 1HG1 ILE 27 1.579 1.334 9.810
178 HG13 ILE 27 2HG1 ILE 27 1.496 2.478 8.474
179 HG21 ILE 27 1HG2 ILE 27 -1.482 1.193 10.948
180 HG22 ILE 27 2HG2 ILE 27 0.171 1.397 11.526
181 HG23 ILE 27 3HG2 ILE 27 -0.990 2.714 11.693
182 HD11 ILE 27 3HD1 ILE 27 1.971 3.073 11.378
183 HD12 ILE 27 1HD1 ILE 27 3.075 3.311 10.024
184 HD13 ILE 27 2HD1 ILE 27 1.632 4.314 10.172
185 H VAL 28 H VAL 28 -2.628 3.525 8.058
186 HA VAL 28 HA VAL 28 -4.802 2.617 9.685
187 HB VAL 28 HB VAL 28 -4.720 4.786 7.584
188 HG11 VAL 28 1HG1 VAL 28 -6.906 5.072 7.853
189 HG12 VAL 28 2HG1 VAL 28 -6.944 3.584 8.803
190 HG13 VAL 28 3HG1 VAL 28 -6.725 5.140 9.606
191 HG21 VAL 28 3HG2 VAL 28 -4.091 4.696 10.488
192 HG22 VAL 28 1HG2 VAL 28 -3.325 5.614 9.192
193 HG23 VAL 28 2HG2 VAL 28 -4.875 6.141 9.849
194 H HIS 29 H HIS 29 -4.026 2.535 6.250
195 HA HIS 29 HA HIS 29 -6.529 1.667 5.306
196 HB2 HIS 29 1HB HIS 29 -5.085 2.444 3.643
197 HB3 HIS 29 2HB HIS 29 -3.726 1.498 4.243
198 HD1 HIS 29 HD1 HIS 29 -6.980 1.053 2.366
199 HD2 HIS 29 HD2 HIS 29 -3.402 -0.945 3.051
200 HE1 HIS 29 HE1 HIS 29 -7.010 -0.929 0.819
201 H GLN 30 H GLN 30 -3.631 -0.164 6.245
202 HA GLN 30 HA GLN 30 -4.359 -2.715 5.634
203 HB2 GLN 30 1HB GLN 30 -2.949 -1.713 8.107
204 HB3 GLN 30 2HB GLN 30 -3.067 -3.416 7.682
205 HG2 GLN 30 1HG GLN 30 -2.046 -2.599 5.413
206 HG3 GLN 30 2HG GLN 30 -1.497 -1.242 6.396
207 HE21 GLN 30 1HE2 GLN 30 -0.163 -3.618 5.053
208 HE22 GLN 30 2HE2 GLN 30 0.844 -4.280 6.291
209 H GLY 31 H GLY 31 -5.657 -0.699 8.172
210 HA2 GLY 31 1HA GLY 31 -6.916 -2.687 9.716
211 HA3 GLY 31 2HA GLY 31 -7.402 -1.000 9.632
212 H ILE 32 H ILE 32 -7.995 -0.936 6.846
213 HA ILE 32 HA ILE 32 -10.673 -1.596 6.823
214 HB ILE 32 HB ILE 32 -10.709 -1.143 4.518
215 HG12 ILE 32 1HG1 ILE 32 -8.343 -1.081 3.322
216 HG13 ILE 32 2HG1 ILE 32 -7.937 -2.256 4.568
217 HG21 ILE 32 1HG2 ILE 32 -10.017 0.964 4.710
218 HG22 ILE 32 2HG2 ILE 32 -9.323 0.506 6.264
219 HG23 ILE 32 3HG2 ILE 32 -8.326 0.473 4.810
220 HD11 ILE 32 3HD1 ILE 32 -9.021 -2.843 2.149
221 HD12 ILE 32 1HD1 ILE 32 -9.101 -3.878 3.574
222 HD13 ILE 32 2HD1 ILE 32 -10.448 -2.808 3.184
223 H HIS 33 H HIS 33 -7.973 -3.668 6.473
224 HA HIS 33 HA HIS 33 -9.499 -5.779 5.173
225 HB2 HIS 33 1HB HIS 33 -6.631 -5.672 6.126
226 HB3 HIS 33 2HB HIS 33 -7.358 -7.055 5.314
227 HD1 HIS 33 HD1 HIS 33 -8.351 -6.425 2.818
228 HD2 HIS 33 HD2 HIS 33 -5.455 -3.921 4.431
229 HE1 HIS 33 HE1 HIS 33 -7.411 -5.142 0.870
230 H THR 34 H THR 34 -10.519 -4.998 7.661
231 HA THR 34 HA THR 34 -9.873 -7.333 9.341
232 HB THR 34 HB THR 34 -10.846 -5.954 11.239
233 HG1 THR 34 HG1 THR 34 -11.856 -4.291 10.191
234 HG21 THR 34 3HG2 THR 34 -8.417 -6.333 10.902
235 HG22 THR 34 1HG2 THR 34 -8.773 -4.780 11.656
236 HG23 THR 34 2HG2 THR 34 -8.349 -4.853 9.946
237 H GLY 35 H GLY 35 -12.460 -5.214 8.175
238 HA2 GLY 35 1HA GLY 35 -14.326 -7.463 8.494
239 HA3 GLY 35 2HA GLY 35 -14.752 -5.901 9.178
240 H VAL 36 H VAL 36 -13.298 -6.891 6.079
241 HA VAL 36 HA VAL 36 -15.275 -5.200 4.715
242 HB VAL 36 HB VAL 36 -12.884 -4.721 4.274
243 HG11 VAL 36 1HG1 VAL 36 -12.412 -7.321 4.371
244 HG12 VAL 36 2HG1 VAL 36 -12.650 -7.184 2.627
245 HG13 VAL 36 3HG1 VAL 36 -11.398 -6.232 3.426
246 HG21 VAL 36 3HG2 VAL 36 -13.771 -3.908 2.401
247 HG22 VAL 36 1HG2 VAL 36 -13.351 -5.431 1.617
248 HG23 VAL 36 2HG2 VAL 36 -14.952 -5.216 2.325
249 H SER 37 H SER 37 -13.899 -8.447 4.753
250 HA SER 37 HA SER 37 -15.137 -9.515 2.507
251 HB2 SER 37 1HB SER 37 -14.100 -10.653 5.063
252 HB3 SER 37 2HB SER 37 -15.092 -11.689 4.038
253 HG SER 37 HG SER 37 -13.601 -11.597 2.468
254 H GLY 38 H GLY 38 -17.212 -9.655 1.995
255 HA2 GLY 38 1HA GLY 38 -19.187 -9.811 4.182
256 HA3 GLY 38 2HA GLY 38 -19.501 -9.113 2.600
257 HA PRO 39 HA PRO 39 -20.393 -13.842 2.913
258 HB2 PRO 39 1HB PRO 39 -22.940 -13.853 3.851
259 HB3 PRO 39 2HB PRO 39 -21.527 -13.971 4.907
260 HG2 PRO 39 1HG PRO 39 -23.210 -11.583 4.253
261 HG3 PRO 39 2HG PRO 39 -22.562 -12.099 5.821
262 HD2 PRO 39 1HD PRO 39 -21.415 -10.140 4.344
263 HD3 PRO 39 2HD PRO 39 -20.473 -11.226 5.386
264 H SER 40 H SER 40 -20.362 -13.575 0.643
265 HA SER 40 HA SER 40 -21.234 -13.525 -1.458
266 HB2 SER 40 1HB SER 40 -23.597 -14.334 0.204
267 HB3 SER 40 2HB SER 40 -23.801 -14.034 -1.522
268 HG SER 40 HG SER 40 -21.767 -15.527 -1.521
269 H SER 41 H SER 41 -20.805 -11.048 -0.412
270 HA SER 41 HA SER 41 -23.184 -9.432 -0.855
271 HB2 SER 41 1HB SER 41 -21.416 -9.032 0.988
272 HB3 SER 41 2HB SER 41 -20.427 -8.353 -0.305
273 HG SER 41 HG SER 41 -22.405 -7.033 -0.745
274 H GLY 42 H GLY 42 -23.496 -8.043 -2.549
275 HA2 GLY 42 1HA GLY 42 -23.218 -7.100 -4.627
276 HA3 GLY 42 2HA GLY 42 -21.487 -7.329 -4.421
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -3.007 10.357 -24.360
2 HA2 GLY 1 1HA GLY 1 -4.353 9.483 -22.409
3 HA3 GLY 1 2HA GLY 1 -3.369 8.036 -22.569
4 H SER 2 H SER 2 -2.748 8.364 -20.356
5 HA SER 2 HA SER 2 -1.251 10.711 -19.632
6 HB2 SER 2 1HB SER 2 -1.582 8.077 -18.174
7 HB3 SER 2 2HB SER 2 -0.886 9.546 -17.492
8 HG SER 2 HG SER 2 -3.513 8.869 -17.896
9 H SER 3 H SER 3 0.806 11.060 -20.101
10 HA SER 3 HA SER 3 2.502 8.779 -20.833
11 HB2 SER 3 1HB SER 3 2.483 11.676 -21.576
12 HB3 SER 3 2HB SER 3 4.012 10.800 -21.624
13 HG SER 3 HG SER 3 2.483 9.196 -22.836
14 H GLY 4 H GLY 4 3.731 8.021 -19.244
15 HA2 GLY 4 1HA GLY 4 5.443 8.060 -17.675
16 HA3 GLY 4 2HA GLY 4 5.441 9.816 -17.759
17 H SER 5 H SER 5 4.461 7.078 -15.997
18 HA SER 5 HA SER 5 2.355 8.289 -14.496
19 HB2 SER 5 1HB SER 5 2.570 6.320 -13.025
20 HB3 SER 5 2HB SER 5 2.513 5.853 -14.725
21 HG SER 5 HG SER 5 4.704 5.865 -12.956
22 H SER 6 H SER 6 5.791 7.659 -13.869
23 HA SER 6 HA SER 6 7.165 8.339 -12.162
24 HB2 SER 6 1HB SER 6 7.295 10.776 -11.950
25 HB3 SER 6 2HB SER 6 7.081 10.316 -13.639
26 HG SER 6 HG SER 6 5.329 11.613 -11.904
27 H GLY 7 H GLY 7 4.995 7.044 -11.088
28 HA2 GLY 7 1HA GLY 7 4.765 8.426 -8.523
29 HA3 GLY 7 2HA GLY 7 3.266 8.013 -9.344
30 H GLU 8 H GLU 8 6.260 6.616 -8.061
31 HA GLU 8 HA GLU 8 4.805 4.086 -7.658
32 HB2 GLU 8 1HB GLU 8 7.229 3.176 -7.419
33 HB3 GLU 8 2HB GLU 8 6.590 3.508 -9.022
34 HG2 GLU 8 1HG GLU 8 7.875 5.428 -9.275
35 HG3 GLU 8 2HG GLU 8 8.172 5.571 -7.544
36 H LYS 9 H LYS 9 3.907 4.795 -5.675
37 HA LYS 9 HA LYS 9 5.271 5.889 -3.522
38 HB2 LYS 9 1HB LYS 9 2.787 4.279 -3.832
39 HB3 LYS 9 2HB LYS 9 3.444 4.448 -2.209
40 HG2 LYS 9 1HG LYS 9 2.078 6.253 -2.227
41 HG3 LYS 9 2HG LYS 9 3.522 7.003 -2.913
42 HD2 LYS 9 1HD LYS 9 1.608 5.711 -4.783
43 HD3 LYS 9 2HD LYS 9 1.131 7.242 -4.046
44 HE2 LYS 9 1HE LYS 9 3.730 6.795 -5.507
45 HE3 LYS 9 2HE LYS 9 2.281 7.474 -6.247
46 HZ1 LYS 9 3HZ LYS 9 3.605 9.288 -5.606
47 HZ2 LYS 9 1HZ LYS 9 3.929 8.636 -4.079
48 HZ3 LYS 9 2HZ LYS 9 2.379 9.206 -4.443
49 HA PRO 10 HA PRO 10 7.943 2.700 -2.082
50 HB2 PRO 10 1HB PRO 10 8.219 3.501 0.497
51 HB3 PRO 10 2HB PRO 10 8.990 4.337 -0.857
52 HG2 PRO 10 1HG PRO 10 6.475 5.029 0.612
53 HG3 PRO 10 2HG PRO 10 7.785 6.096 0.072
54 HD2 PRO 10 1HD PRO 10 5.452 5.854 -1.280
55 HD3 PRO 10 2HD PRO 10 6.997 6.175 -2.093
56 H TYR 11 H TYR 11 5.253 3.529 0.108
57 HA TYR 11 HA TYR 11 5.224 0.867 1.231
58 HB2 TYR 11 1HB TYR 11 3.215 3.087 1.643
59 HB3 TYR 11 2HB TYR 11 3.464 1.676 2.664
60 HD1 TYR 11 HD2 TYR 11 4.794 4.953 1.685
61 HD2 TYR 11 HD1 TYR 11 5.303 1.581 4.230
62 HE1 TYR 11 HE2 TYR 11 6.397 6.229 3.045
63 HE2 TYR 11 HE1 TYR 11 6.907 2.849 5.598
64 HH TYR 11 HH TYR 11 7.669 6.239 4.866
65 H VAL 12 H VAL 12 3.929 -0.778 0.675
66 HA VAL 12 HA VAL 12 1.660 -0.258 -1.116
67 HB VAL 12 HB VAL 12 3.696 -2.452 -1.539
68 HG11 VAL 12 1HG1 VAL 12 1.062 -2.585 -2.137
69 HG12 VAL 12 2HG1 VAL 12 1.696 -1.850 -3.611
70 HG13 VAL 12 3HG1 VAL 12 2.328 -3.400 -3.055
71 HG21 VAL 12 3HG2 VAL 12 4.595 -1.255 -3.278
72 HG22 VAL 12 1HG2 VAL 12 3.125 -0.317 -3.536
73 HG23 VAL 12 2HG2 VAL 12 4.180 0.055 -2.173
74 H CYS 13 H CYS 13 -0.122 -1.054 -0.239
75 HA CYS 13 HA CYS 13 -0.264 -2.603 2.049
76 HB2 CYS 13 1HB CYS 13 -2.111 -1.252 0.882
77 HB3 CYS 13 2HB CYS 13 -2.379 -2.692 -0.095
78 H SER 14 H SER 14 0.046 -4.684 2.482
79 HA SER 14 HA SER 14 0.542 -6.520 0.272
80 HB2 SER 14 1HB SER 14 1.472 -8.012 1.979
81 HB3 SER 14 2HB SER 14 2.180 -6.402 2.115
82 HG SER 14 HG SER 14 0.289 -6.147 3.703
83 H ASP 15 H ASP 15 -2.177 -5.630 0.942
84 HA ASP 15 HA ASP 15 -3.352 -8.271 1.506
85 HB2 ASP 15 1HB ASP 15 -4.037 -5.591 2.613
86 HB3 ASP 15 2HB ASP 15 -5.363 -6.702 2.283
87 H CYS 16 H CYS 16 -3.536 -5.256 -0.276
88 HA CYS 16 HA CYS 16 -5.328 -6.579 -2.200
89 HB2 CYS 16 1HB CYS 16 -6.480 -4.457 -2.582
90 HB3 CYS 16 2HB CYS 16 -6.610 -4.934 -0.893
91 H GLY 17 H GLY 17 -3.025 -3.916 -1.700
92 HA2 GLY 17 1HA GLY 17 -1.050 -3.988 -3.214
93 HA3 GLY 17 2HA GLY 17 -2.197 -4.254 -4.518
94 H LYS 18 H LYS 18 -2.703 -2.009 -1.868
95 HA LYS 18 HA LYS 18 -2.877 0.165 -3.810
96 HB2 LYS 18 1HB LYS 18 -4.724 -0.221 -2.180
97 HB3 LYS 18 2HB LYS 18 -3.608 0.164 -0.876
98 HG2 LYS 18 1HG LYS 18 -3.583 2.396 -1.368
99 HG3 LYS 18 2HG LYS 18 -3.959 2.137 -3.073
100 HD2 LYS 18 1HD LYS 18 -6.249 1.337 -2.256
101 HD3 LYS 18 2HD LYS 18 -5.814 2.068 -0.709
102 HE2 LYS 18 1HE LYS 18 -5.571 3.647 -3.236
103 HE3 LYS 18 2HE LYS 18 -7.146 3.448 -2.471
104 HZ1 LYS 18 3HZ LYS 18 -6.575 5.176 -1.219
105 HZ2 LYS 18 1HZ LYS 18 -4.955 5.116 -1.706
106 HZ3 LYS 18 2HZ LYS 18 -5.489 4.152 -0.423
107 H ALA 19 H ALA 19 -1.380 1.704 -4.001
108 HA ALA 19 HA ALA 19 0.969 1.602 -2.310
109 HB1 ALA 19 3HB ALA 19 0.553 2.192 -4.972
110 HB2 ALA 19 1HB ALA 19 0.901 3.763 -4.250
111 HB3 ALA 19 2HB ALA 19 2.050 2.436 -4.072
112 H PHE 20 H PHE 20 1.702 3.217 -0.965
113 HA PHE 20 HA PHE 20 0.002 5.573 -0.592
114 HB2 PHE 20 1HB PHE 20 0.860 3.681 1.605
115 HB3 PHE 20 2HB PHE 20 0.156 5.270 1.886
116 HD1 PHE 20 HD1 PHE 20 -2.189 5.703 1.350
117 HD2 PHE 20 HD2 PHE 20 -0.481 1.830 0.907
118 HE1 PHE 20 HE1 PHE 20 -4.444 4.726 1.234
119 HE2 PHE 20 HE2 PHE 20 -2.734 0.847 0.789
120 HZ PHE 20 HZ PHE 20 -4.719 2.295 0.952
121 H THR 21 H THR 21 1.125 7.400 -0.316
122 HA THR 21 HA THR 21 3.936 7.426 -0.598
123 HB THR 21 HB THR 21 2.109 9.664 0.300
124 HG1 THR 21 HG1 THR 21 3.185 9.380 -2.292
125 HG21 THR 21 3HG2 THR 21 4.431 10.506 -1.154
126 HG22 THR 21 1HG2 THR 21 4.924 9.535 0.233
127 HG23 THR 21 2HG2 THR 21 3.912 10.961 0.469
128 H PHE 22 H PHE 22 1.826 8.082 2.187
129 HA PHE 22 HA PHE 22 4.189 8.080 3.927
130 HB2 PHE 22 1HB PHE 22 1.386 8.829 4.744
131 HB3 PHE 22 2HB PHE 22 2.900 9.243 5.543
132 HD1 PHE 22 HD1 PHE 22 4.581 10.593 3.963
133 HD2 PHE 22 HD2 PHE 22 0.347 10.476 3.545
134 HE1 PHE 22 HE1 PHE 22 4.647 12.724 2.735
135 HE2 PHE 22 HE2 PHE 22 0.406 12.606 2.315
136 HZ PHE 22 HZ PHE 22 2.558 13.733 1.908
137 H LYS 23 H LYS 23 4.402 6.669 5.630
138 HA LYS 23 HA LYS 23 3.325 4.104 5.372
139 HB2 LYS 23 1HB LYS 23 5.414 4.445 6.523
140 HB3 LYS 23 2HB LYS 23 4.636 5.455 7.735
141 HG2 LYS 23 1HG LYS 23 4.991 3.370 8.758
142 HG3 LYS 23 2HG LYS 23 3.271 3.425 8.367
143 HD2 LYS 23 1HD LYS 23 3.473 1.875 6.668
144 HD3 LYS 23 2HD LYS 23 5.185 2.222 6.415
145 HE2 LYS 23 1HE LYS 23 5.386 1.279 8.868
146 HE3 LYS 23 2HE LYS 23 3.871 0.483 8.446
147 HZ1 LYS 23 3HZ LYS 23 5.229 -1.076 7.616
148 HZ2 LYS 23 1HZ LYS 23 6.555 -0.032 7.497
149 HZ3 LYS 23 2HZ LYS 23 5.370 -0.035 6.290
150 H SER 24 H SER 24 2.587 6.585 7.826
151 HA SER 24 HA SER 24 0.669 5.335 9.288
152 HB2 SER 24 1HB SER 24 1.574 7.824 9.313
153 HB3 SER 24 2HB SER 24 0.078 8.138 8.433
154 HG SER 24 HG SER 24 -0.797 8.152 10.340
155 H GLN 25 H GLN 25 0.145 7.018 6.204
156 HA GLN 25 HA GLN 25 -2.585 6.780 5.972
157 HB2 GLN 25 1HB GLN 25 -0.401 6.693 3.906
158 HB3 GLN 25 2HB GLN 25 -2.096 6.593 3.450
159 HG2 GLN 25 1HG GLN 25 -0.917 8.844 5.059
160 HG3 GLN 25 2HG GLN 25 -1.113 8.872 3.307
161 HE21 GLN 25 1HE2 GLN 25 -2.320 10.854 4.332
162 HE22 GLN 25 2HE2 GLN 25 -4.020 10.622 4.532
163 H LEU 26 H LEU 26 -0.118 4.386 5.097
164 HA LEU 26 HA LEU 26 -1.864 2.459 4.036
165 HB2 LEU 26 1HB LEU 26 0.446 2.252 3.582
166 HB3 LEU 26 2HB LEU 26 0.857 2.265 5.295
167 HG LEU 26 HG LEU 26 -0.210 0.041 5.524
168 HD11 LEU 26 1HD1 LEU 26 -0.837 -1.226 3.588
169 HD12 LEU 26 2HD1 LEU 26 -0.353 0.087 2.515
170 HD13 LEU 26 3HD1 LEU 26 -1.740 0.290 3.584
171 HD21 LEU 26 3HD2 LEU 26 2.176 0.633 3.908
172 HD22 LEU 26 1HD2 LEU 26 1.555 -1.012 3.767
173 HD23 LEU 26 2HD2 LEU 26 1.996 -0.369 5.350
174 H ILE 27 H ILE 27 -0.426 2.691 7.289
175 HA ILE 27 HA ILE 27 -1.484 0.503 8.507
176 HB ILE 27 HB ILE 27 -1.332 3.262 9.727
177 HG12 ILE 27 1HG1 ILE 27 0.708 1.097 10.097
178 HG13 ILE 27 2HG1 ILE 27 0.759 2.100 8.652
179 HG21 ILE 27 1HG2 ILE 27 -1.800 2.384 11.744
180 HG22 ILE 27 2HG2 ILE 27 -2.579 1.114 10.802
181 HG23 ILE 27 3HG2 ILE 27 -0.939 0.883 11.406
182 HD11 ILE 27 3HD1 ILE 27 1.884 3.615 9.795
183 HD12 ILE 27 1HD1 ILE 27 0.478 3.848 10.833
184 HD13 ILE 27 2HD1 ILE 27 1.715 2.669 11.273
185 H VAL 28 H VAL 28 -3.118 3.647 8.159
186 HA VAL 28 HA VAL 28 -5.519 2.914 9.416
187 HB VAL 28 HB VAL 28 -5.084 4.971 7.246
188 HG11 VAL 28 1HG1 VAL 28 -7.354 4.866 7.237
189 HG12 VAL 28 2HG1 VAL 28 -7.442 4.217 8.876
190 HG13 VAL 28 3HG1 VAL 28 -7.148 5.938 8.622
191 HG21 VAL 28 3HG2 VAL 28 -5.032 5.184 10.253
192 HG22 VAL 28 1HG2 VAL 28 -3.683 5.430 9.144
193 HG23 VAL 28 2HG2 VAL 28 -5.035 6.563 9.154
194 H HIS 29 H HIS 29 -4.638 2.946 5.969
195 HA HIS 29 HA HIS 29 -7.080 2.053 4.951
196 HB2 HIS 29 1HB HIS 29 -5.542 2.894 3.380
197 HB3 HIS 29 2HB HIS 29 -4.250 1.842 3.949
198 HD1 HIS 29 HD1 HIS 29 -7.377 1.795 1.861
199 HD2 HIS 29 HD2 HIS 29 -4.146 -0.656 2.763
200 HE1 HIS 29 HE1 HIS 29 -7.514 -0.121 0.238
201 H GLN 30 H GLN 30 -4.138 0.091 5.453
202 HA GLN 30 HA GLN 30 -4.939 -2.389 4.905
203 HB2 GLN 30 1HB GLN 30 -3.441 -1.522 7.379
204 HB3 GLN 30 2HB GLN 30 -3.589 -3.199 6.871
205 HG2 GLN 30 1HG GLN 30 -2.570 -2.448 4.663
206 HG3 GLN 30 2HG GLN 30 -2.151 -0.954 5.501
207 HE21 GLN 30 1HE2 GLN 30 -0.895 -3.737 4.519
208 HE22 GLN 30 2HE2 GLN 30 0.297 -4.008 5.740
209 H GLY 31 H GLY 31 -6.076 -0.500 7.627
210 HA2 GLY 31 1HA GLY 31 -7.286 -2.446 9.182
211 HA3 GLY 31 2HA GLY 31 -7.876 -0.799 9.021
212 H ILE 32 H ILE 32 -8.704 -0.687 6.433
213 HA ILE 32 HA ILE 32 -11.255 -1.543 6.402
214 HB ILE 32 HB ILE 32 -11.310 -1.341 4.037
215 HG12 ILE 32 1HG1 ILE 32 -8.300 -1.655 4.028
216 HG13 ILE 32 2HG1 ILE 32 -9.440 -2.922 3.587
217 HG21 ILE 32 1HG2 ILE 32 -9.202 0.555 4.072
218 HG22 ILE 32 2HG2 ILE 32 -10.934 0.835 4.243
219 HG23 ILE 32 3HG2 ILE 32 -9.943 0.536 5.671
220 HD11 ILE 32 3HD1 ILE 32 -10.287 -1.398 1.791
221 HD12 ILE 32 1HD1 ILE 32 -8.937 -0.327 2.163
222 HD13 ILE 32 2HD1 ILE 32 -8.630 -1.964 1.582
223 H HIS 33 H HIS 33 -8.456 -3.533 5.957
224 HA HIS 33 HA HIS 33 -9.974 -5.788 4.945
225 HB2 HIS 33 1HB HIS 33 -7.075 -5.633 5.795
226 HB3 HIS 33 2HB HIS 33 -7.830 -6.965 4.925
227 HD1 HIS 33 HD1 HIS 33 -9.260 -5.613 2.676
228 HD2 HIS 33 HD2 HIS 33 -5.509 -4.392 3.980
229 HE1 HIS 33 HE1 HIS 33 -8.239 -4.386 0.732
230 H THR 34 H THR 34 -8.051 -5.059 7.853
231 HA THR 34 HA THR 34 -8.653 -7.419 9.243
232 HB THR 34 HB THR 34 -8.004 -6.171 11.292
233 HG1 THR 34 HG1 THR 34 -7.560 -4.003 11.168
234 HG21 THR 34 3HG2 THR 34 -6.374 -6.319 8.835
235 HG22 THR 34 1HG2 THR 34 -6.070 -6.986 10.439
236 HG23 THR 34 2HG2 THR 34 -5.743 -5.283 10.116
237 H GLY 35 H GLY 35 -10.827 -7.930 9.177
238 HA2 GLY 35 1HA GLY 35 -12.651 -7.821 10.871
239 HA3 GLY 35 2HA GLY 35 -12.607 -6.079 10.641
240 H VAL 36 H VAL 36 -13.569 -9.139 9.267
241 HA VAL 36 HA VAL 36 -15.366 -7.686 7.451
242 HB VAL 36 HB VAL 36 -13.735 -10.118 6.705
243 HG11 VAL 36 1HG1 VAL 36 -16.114 -10.040 5.845
244 HG12 VAL 36 2HG1 VAL 36 -15.639 -8.604 4.937
245 HG13 VAL 36 3HG1 VAL 36 -14.849 -10.149 4.622
246 HG21 VAL 36 3HG2 VAL 36 -12.394 -8.132 6.605
247 HG22 VAL 36 1HG2 VAL 36 -12.821 -8.596 4.958
248 HG23 VAL 36 2HG2 VAL 36 -13.663 -7.261 5.744
249 H SER 37 H SER 37 -17.399 -8.496 7.292
250 HA SER 37 HA SER 37 -17.959 -11.036 8.675
251 HB2 SER 37 1HB SER 37 -20.029 -10.070 9.558
252 HB3 SER 37 2HB SER 37 -18.637 -9.125 10.086
253 HG SER 37 HG SER 37 -19.118 -7.626 8.439
254 H GLY 38 H GLY 38 -17.785 -11.853 6.436
255 HA2 GLY 38 1HA GLY 38 -20.195 -12.543 5.330
256 HA3 GLY 38 2HA GLY 38 -19.745 -11.062 4.497
257 HA PRO 39 HA PRO 39 -17.844 -14.797 2.387
258 HB2 PRO 39 1HB PRO 39 -19.002 -14.381 -0.033
259 HB3 PRO 39 2HB PRO 39 -19.759 -15.343 1.242
260 HG2 PRO 39 1HG PRO 39 -20.263 -12.496 0.465
261 HG3 PRO 39 2HG PRO 39 -21.429 -13.766 0.877
262 HD2 PRO 39 1HD PRO 39 -20.680 -11.849 2.637
263 HD3 PRO 39 2HD PRO 39 -21.115 -13.494 3.144
264 H SER 40 H SER 40 -15.797 -13.982 2.281
265 HA SER 40 HA SER 40 -15.107 -12.458 -0.070
266 HB2 SER 40 1HB SER 40 -14.753 -11.317 2.702
267 HB3 SER 40 2HB SER 40 -13.789 -10.774 1.328
268 HG SER 40 HG SER 40 -15.411 -9.512 0.927
269 H SER 41 H SER 41 -12.985 -12.734 -0.692
270 HA SER 41 HA SER 41 -11.658 -15.034 0.232
271 HB2 SER 41 1HB SER 41 -10.743 -12.751 -1.523
272 HB3 SER 41 2HB SER 41 -9.742 -14.164 -1.192
273 HG SER 41 HG SER 41 -10.919 -15.297 -2.518
274 H GLY 42 H GLY 42 -11.386 -14.788 2.483
275 HA2 GLY 42 1HA GLY 42 -9.093 -13.074 3.184
276 HA3 GLY 42 2HA GLY 42 -10.530 -13.085 4.195
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -10.418 16.600 -14.933
2 HA2 GLY 1 1HA GLY 1 -9.956 17.742 -12.940
3 HA3 GLY 1 2HA GLY 1 -11.000 16.453 -12.361
4 H SER 2 H SER 2 -7.796 17.724 -12.439
5 HA SER 2 HA SER 2 -5.908 17.233 -11.270
6 HB2 SER 2 1HB SER 2 -7.764 15.591 -9.530
7 HB3 SER 2 2HB SER 2 -6.156 16.165 -9.089
8 HG SER 2 HG SER 2 -6.902 18.197 -8.943
9 H SER 3 H SER 3 -6.297 15.731 -13.537
10 HA SER 3 HA SER 3 -5.537 12.995 -12.788
11 HB2 SER 3 1HB SER 3 -6.048 12.400 -15.118
12 HB3 SER 3 2HB SER 3 -7.425 13.193 -14.353
13 HG SER 3 HG SER 3 -6.218 15.166 -15.364
14 H GLY 4 H GLY 4 -3.481 12.392 -12.919
15 HA2 GLY 4 1HA GLY 4 -1.658 12.590 -14.850
16 HA3 GLY 4 2HA GLY 4 -1.550 14.196 -14.144
17 H SER 5 H SER 5 -1.768 10.852 -12.917
18 HA SER 5 HA SER 5 -0.109 11.451 -10.665
19 HB2 SER 5 1HB SER 5 -1.469 9.027 -11.741
20 HB3 SER 5 2HB SER 5 -0.128 8.784 -10.622
21 HG SER 5 HG SER 5 -1.451 10.571 -9.427
22 H SER 6 H SER 6 2.026 11.569 -10.643
23 HA SER 6 HA SER 6 3.554 9.972 -12.589
24 HB2 SER 6 1HB SER 6 3.949 12.859 -11.804
25 HB3 SER 6 2HB SER 6 5.223 11.906 -12.563
26 HG SER 6 HG SER 6 2.723 11.872 -13.782
27 H GLY 7 H GLY 7 4.866 8.581 -11.623
28 HA2 GLY 7 1HA GLY 7 6.815 8.295 -10.176
29 HA3 GLY 7 2HA GLY 7 6.009 9.327 -9.003
30 H GLU 8 H GLU 8 6.863 7.137 -7.919
31 HA GLU 8 HA GLU 8 4.461 5.469 -7.632
32 HB2 GLU 8 1HB GLU 8 5.883 3.469 -7.397
33 HB3 GLU 8 2HB GLU 8 6.025 4.199 -8.990
34 HG2 GLU 8 1HG GLU 8 8.144 5.143 -8.453
35 HG3 GLU 8 2HG GLU 8 7.980 4.682 -6.759
36 H LYS 9 H LYS 9 3.955 4.863 -5.574
37 HA LYS 9 HA LYS 9 5.304 6.276 -3.446
38 HB2 LYS 9 1HB LYS 9 2.938 4.396 -3.340
39 HB3 LYS 9 2HB LYS 9 3.494 5.424 -2.026
40 HG2 LYS 9 1HG LYS 9 1.754 6.654 -2.874
41 HG3 LYS 9 2HG LYS 9 3.127 7.348 -3.739
42 HD2 LYS 9 1HD LYS 9 2.521 6.406 -5.735
43 HD3 LYS 9 2HD LYS 9 1.718 5.034 -4.967
44 HE2 LYS 9 1HE LYS 9 0.648 7.845 -4.852
45 HE3 LYS 9 2HE LYS 9 0.208 6.700 -6.118
46 HZ1 LYS 9 3HZ LYS 9 -0.076 5.557 -3.524
47 HZ2 LYS 9 1HZ LYS 9 -1.216 5.698 -4.766
48 HZ3 LYS 9 2HZ LYS 9 -0.996 6.969 -3.673
49 HA PRO 10 HA PRO 10 7.894 2.978 -2.106
50 HB2 PRO 10 1HB PRO 10 8.229 3.715 0.485
51 HB3 PRO 10 2HB PRO 10 9.006 4.556 -0.861
52 HG2 PRO 10 1HG PRO 10 6.533 5.292 0.658
53 HG3 PRO 10 2HG PRO 10 7.867 6.330 0.122
54 HD2 PRO 10 1HD PRO 10 5.510 6.187 -1.203
55 HD3 PRO 10 2HD PRO 10 7.054 6.479 -2.029
56 H TYR 11 H TYR 11 5.350 3.845 0.245
57 HA TYR 11 HA TYR 11 5.245 1.216 1.356
58 HB2 TYR 11 1HB TYR 11 3.157 3.384 1.604
59 HB3 TYR 11 2HB TYR 11 3.430 2.034 2.699
60 HD1 TYR 11 HD2 TYR 11 4.652 5.315 1.605
61 HD2 TYR 11 HD1 TYR 11 5.230 2.085 4.314
62 HE1 TYR 11 HE2 TYR 11 6.161 6.719 2.947
63 HE2 TYR 11 HE1 TYR 11 6.740 3.481 5.664
64 HH TYR 11 HH TYR 11 6.878 6.436 5.807
65 H VAL 12 H VAL 12 4.154 -0.500 0.664
66 HA VAL 12 HA VAL 12 1.824 -0.116 -1.079
67 HB VAL 12 HB VAL 12 4.095 -2.023 -1.658
68 HG11 VAL 12 1HG1 VAL 12 1.658 -2.763 -2.108
69 HG12 VAL 12 2HG1 VAL 12 1.719 -1.592 -3.427
70 HG13 VAL 12 3HG1 VAL 12 2.855 -2.941 -3.391
71 HG21 VAL 12 3HG2 VAL 12 4.953 -0.384 -2.887
72 HG22 VAL 12 1HG2 VAL 12 3.477 -0.353 -3.852
73 HG23 VAL 12 2HG2 VAL 12 3.624 0.682 -2.432
74 H CYS 13 H CYS 13 0.147 -1.151 -0.242
75 HA CYS 13 HA CYS 13 0.270 -2.877 1.949
76 HB2 CYS 13 1HB CYS 13 -1.791 -1.811 1.622
77 HB3 CYS 13 2HB CYS 13 -1.864 -2.269 -0.076
78 H SER 14 H SER 14 -0.390 -5.141 2.066
79 HA SER 14 HA SER 14 0.748 -6.671 -0.168
80 HB2 SER 14 1HB SER 14 0.291 -7.494 2.711
81 HB3 SER 14 2HB SER 14 1.046 -8.491 1.467
82 HG SER 14 HG SER 14 2.448 -7.196 2.956
83 H ASP 15 H ASP 15 -2.072 -6.396 1.913
84 HA ASP 15 HA ASP 15 -3.463 -8.681 1.155
85 HB2 ASP 15 1HB ASP 15 -4.300 -5.979 2.140
86 HB3 ASP 15 2HB ASP 15 -5.528 -7.120 1.598
87 H CYS 16 H CYS 16 -4.220 -5.417 -0.064
88 HA CYS 16 HA CYS 16 -5.215 -6.635 -2.533
89 HB2 CYS 16 1HB CYS 16 -6.280 -4.468 -2.951
90 HB3 CYS 16 2HB CYS 16 -6.714 -5.084 -1.360
91 H GLY 17 H GLY 17 -2.932 -4.179 -1.394
92 HA2 GLY 17 1HA GLY 17 -0.769 -4.088 -2.546
93 HA3 GLY 17 2HA GLY 17 -1.648 -4.296 -4.053
94 H LYS 18 H LYS 18 -3.075 -2.238 -1.705
95 HA LYS 18 HA LYS 18 -3.035 0.001 -3.431
96 HB2 LYS 18 1HB LYS 18 -4.664 -0.609 -1.488
97 HB3 LYS 18 2HB LYS 18 -3.502 0.238 -0.476
98 HG2 LYS 18 1HG LYS 18 -4.001 2.278 -1.363
99 HG3 LYS 18 2HG LYS 18 -4.483 1.606 -2.922
100 HD2 LYS 18 1HD LYS 18 -6.124 0.935 -0.533
101 HD3 LYS 18 2HD LYS 18 -6.260 2.560 -1.209
102 HE2 LYS 18 1HE LYS 18 -6.515 0.070 -2.878
103 HE3 LYS 18 2HE LYS 18 -7.893 0.828 -2.082
104 HZ1 LYS 18 3HZ LYS 18 -6.344 2.718 -3.552
105 HZ2 LYS 18 1HZ LYS 18 -7.998 2.376 -3.651
106 HZ3 LYS 18 2HZ LYS 18 -6.891 1.463 -4.546
107 H ALA 19 H ALA 19 -1.594 1.586 -3.684
108 HA ALA 19 HA ALA 19 0.798 1.564 -2.009
109 HB1 ALA 19 3HB ALA 19 0.490 1.793 -4.708
110 HB2 ALA 19 1HB ALA 19 0.708 3.475 -4.223
111 HB3 ALA 19 2HB ALA 19 1.929 2.271 -3.809
112 H PHE 20 H PHE 20 1.485 3.276 -0.789
113 HA PHE 20 HA PHE 20 -0.203 5.676 -0.719
114 HB2 PHE 20 1HB PHE 20 0.652 4.044 1.679
115 HB3 PHE 20 2HB PHE 20 -0.063 5.650 1.777
116 HD1 PHE 20 HD1 PHE 20 -2.401 5.998 0.983
117 HD2 PHE 20 HD2 PHE 20 -0.679 2.126 1.387
118 HE1 PHE 20 HE1 PHE 20 -4.650 4.999 0.964
119 HE2 PHE 20 HE2 PHE 20 -2.925 1.122 1.369
120 HZ PHE 20 HZ PHE 20 -4.914 2.558 1.156
121 H THR 21 H THR 21 0.863 7.568 -0.353
122 HA THR 21 HA THR 21 3.670 7.616 -0.783
123 HB THR 21 HB THR 21 1.848 9.861 0.106
124 HG1 THR 21 HG1 THR 21 1.314 8.898 -1.944
125 HG21 THR 21 3HG2 THR 21 4.185 10.558 -1.476
126 HG22 THR 21 1HG2 THR 21 4.617 9.811 0.061
127 HG23 THR 21 2HG2 THR 21 3.600 11.252 0.036
128 H PHE 22 H PHE 22 1.632 8.194 2.057
129 HA PHE 22 HA PHE 22 4.041 8.414 3.716
130 HB2 PHE 22 1HB PHE 22 1.164 8.982 4.460
131 HB3 PHE 22 2HB PHE 22 2.585 9.325 5.443
132 HD1 PHE 22 HD1 PHE 22 4.099 11.144 4.848
133 HD2 PHE 22 HD2 PHE 22 0.548 10.390 2.625
134 HE1 PHE 22 HE1 PHE 22 4.271 13.374 3.822
135 HE2 PHE 22 HE2 PHE 22 0.715 12.618 1.595
136 HZ PHE 22 HZ PHE 22 2.579 14.113 2.192
137 H LYS 23 H LYS 23 4.124 7.255 5.749
138 HA LYS 23 HA LYS 23 3.397 4.512 5.439
139 HB2 LYS 23 1HB LYS 23 5.480 5.196 6.551
140 HB3 LYS 23 2HB LYS 23 4.548 5.961 7.831
141 HG2 LYS 23 1HG LYS 23 3.754 3.877 8.624
142 HG3 LYS 23 2HG LYS 23 4.352 3.030 7.195
143 HD2 LYS 23 1HD LYS 23 5.937 2.536 8.835
144 HD3 LYS 23 2HD LYS 23 6.673 3.861 7.931
145 HE2 LYS 23 1HE LYS 23 4.987 4.533 10.285
146 HE3 LYS 23 2HE LYS 23 6.586 3.850 10.578
147 HZ1 LYS 23 3HZ LYS 23 7.448 5.632 9.057
148 HZ2 LYS 23 1HZ LYS 23 6.843 6.176 10.540
149 HZ3 LYS 23 2HZ LYS 23 5.918 6.349 9.135
150 H SER 24 H SER 24 2.398 7.075 7.694
151 HA SER 24 HA SER 24 0.613 5.623 9.234
152 HB2 SER 24 1HB SER 24 -0.427 7.750 9.799
153 HB3 SER 24 2HB SER 24 1.322 7.960 9.703
154 HG SER 24 HG SER 24 -0.243 8.429 7.423
155 H GLN 25 H GLN 25 0.302 6.752 5.977
156 HA GLN 25 HA GLN 25 -2.532 6.621 5.795
157 HB2 GLN 25 1HB GLN 25 -0.301 6.695 3.787
158 HB3 GLN 25 2HB GLN 25 -1.959 6.416 3.269
159 HG2 GLN 25 1HG GLN 25 -1.290 8.757 5.000
160 HG3 GLN 25 2HG GLN 25 -1.007 8.815 3.261
161 HE21 GLN 25 1HE2 GLN 25 -2.562 9.916 2.322
162 HE22 GLN 25 2HE2 GLN 25 -4.250 9.800 2.671
163 H LEU 26 H LEU 26 0.077 4.346 5.057
164 HA LEU 26 HA LEU 26 -1.572 2.326 3.962
165 HB2 LEU 26 1HB LEU 26 0.752 2.271 3.491
166 HB3 LEU 26 2HB LEU 26 1.167 2.276 5.204
167 HG LEU 26 HG LEU 26 0.241 -0.004 5.403
168 HD11 LEU 26 1HD1 LEU 26 -1.341 -0.330 3.782
169 HD12 LEU 26 2HD1 LEU 26 0.038 -1.148 3.048
170 HD13 LEU 26 3HD1 LEU 26 -0.394 0.483 2.536
171 HD21 LEU 26 3HD2 LEU 26 2.193 -0.961 4.777
172 HD22 LEU 26 1HD2 LEU 26 2.672 0.721 4.550
173 HD23 LEU 26 2HD2 LEU 26 2.158 -0.244 3.166
174 H ILE 27 H ILE 27 -0.136 2.687 7.202
175 HA ILE 27 HA ILE 27 -1.050 0.434 8.438
176 HB ILE 27 HB ILE 27 -1.018 3.203 9.646
177 HG12 ILE 27 1HG1 ILE 27 1.113 1.066 9.778
178 HG13 ILE 27 2HG1 ILE 27 1.128 2.368 8.593
179 HG21 ILE 27 1HG2 ILE 27 -1.664 2.305 11.571
180 HG22 ILE 27 2HG2 ILE 27 -1.983 0.799 10.711
181 HG23 ILE 27 3HG2 ILE 27 -0.412 1.067 11.465
182 HD11 ILE 27 3HD1 ILE 27 1.941 3.821 10.061
183 HD12 ILE 27 1HD1 ILE 27 0.794 3.334 11.309
184 HD13 ILE 27 2HD1 ILE 27 2.287 2.423 11.078
185 H VAL 28 H VAL 28 -2.839 3.507 8.188
186 HA VAL 28 HA VAL 28 -5.186 2.619 9.442
187 HB VAL 28 HB VAL 28 -4.824 4.777 7.360
188 HG11 VAL 28 1HG1 VAL 28 -7.169 3.866 7.597
189 HG12 VAL 28 2HG1 VAL 28 -7.143 4.475 9.253
190 HG13 VAL 28 3HG1 VAL 28 -6.978 5.592 7.898
191 HG21 VAL 28 3HG2 VAL 28 -3.734 5.759 9.055
192 HG22 VAL 28 1HG2 VAL 28 -5.335 5.989 9.757
193 HG23 VAL 28 2HG2 VAL 28 -4.350 4.608 10.242
194 H HIS 29 H HIS 29 -4.271 2.693 6.014
195 HA HIS 29 HA HIS 29 -6.662 1.839 4.897
196 HB2 HIS 29 1HB HIS 29 -5.102 2.504 3.319
197 HB3 HIS 29 2HB HIS 29 -3.794 1.604 4.081
198 HD1 HIS 29 HD1 HIS 29 -6.776 1.109 1.832
199 HD2 HIS 29 HD2 HIS 29 -3.411 -0.955 3.127
200 HE1 HIS 29 HE1 HIS 29 -6.659 -0.953 0.398
201 H GLN 30 H GLN 30 -3.939 -0.124 6.066
202 HA GLN 30 HA GLN 30 -4.786 -2.640 5.405
203 HB2 GLN 30 1HB GLN 30 -3.420 -1.724 7.938
204 HB3 GLN 30 2HB GLN 30 -3.602 -3.413 7.482
205 HG2 GLN 30 1HG GLN 30 -2.447 -2.630 5.272
206 HG3 GLN 30 2HG GLN 30 -1.887 -1.297 6.281
207 HE21 GLN 30 1HE2 GLN 30 0.253 -1.961 6.116
208 HE22 GLN 30 2HE2 GLN 30 0.853 -3.346 6.956
209 H GLY 31 H GLY 31 -6.009 -0.558 7.942
210 HA2 GLY 31 1HA GLY 31 -7.409 -2.362 9.509
211 HA3 GLY 31 2HA GLY 31 -7.909 -0.702 9.224
212 H ILE 32 H ILE 32 -8.235 -1.090 6.347
213 HA ILE 32 HA ILE 32 -10.948 -1.819 6.306
214 HB ILE 32 HB ILE 32 -10.874 -1.567 3.935
215 HG12 ILE 32 1HG1 ILE 32 -8.383 -1.139 3.022
216 HG13 ILE 32 2HG1 ILE 32 -8.016 -2.289 4.303
217 HG21 ILE 32 1HG2 ILE 32 -9.876 0.353 5.710
218 HG22 ILE 32 2HG2 ILE 32 -8.850 0.442 4.279
219 HG23 ILE 32 3HG2 ILE 32 -10.596 0.629 4.124
220 HD11 ILE 32 3HD1 ILE 32 -9.700 -3.825 3.291
221 HD12 ILE 32 1HD1 ILE 32 -9.823 -2.700 1.938
222 HD13 ILE 32 2HD1 ILE 32 -8.290 -3.502 2.282
223 H HIS 33 H HIS 33 -8.069 -3.696 6.034
224 HA HIS 33 HA HIS 33 -9.420 -5.968 4.830
225 HB2 HIS 33 1HB HIS 33 -6.587 -5.523 5.773
226 HB3 HIS 33 2HB HIS 33 -7.162 -7.075 5.170
227 HD1 HIS 33 HD1 HIS 33 -8.406 -6.721 2.643
228 HD2 HIS 33 HD2 HIS 33 -5.407 -4.098 3.819
229 HE1 HIS 33 HE1 HIS 33 -7.555 -5.677 0.519
230 H THR 34 H THR 34 -10.274 -4.950 7.454
231 HA THR 34 HA THR 34 -10.279 -7.495 8.843
232 HB THR 34 HB THR 34 -9.764 -6.185 11.044
233 HG1 THR 34 HG1 THR 34 -9.078 -4.218 10.724
234 HG21 THR 34 3HG2 THR 34 -8.354 -7.934 9.560
235 HG22 THR 34 1HG2 THR 34 -7.751 -7.229 11.059
236 HG23 THR 34 2HG2 THR 34 -7.267 -6.546 9.506
237 H GLY 35 H GLY 35 -11.928 -7.654 10.453
238 HA2 GLY 35 1HA GLY 35 -13.898 -7.068 11.524
239 HA3 GLY 35 2HA GLY 35 -13.697 -5.428 10.925
240 H VAL 36 H VAL 36 -13.895 -5.384 8.378
241 HA VAL 36 HA VAL 36 -16.520 -5.714 7.695
242 HB VAL 36 HB VAL 36 -15.767 -5.738 5.299
243 HG11 VAL 36 1HG1 VAL 36 -15.745 -3.712 7.146
244 HG12 VAL 36 2HG1 VAL 36 -14.147 -3.580 6.410
245 HG13 VAL 36 3HG1 VAL 36 -15.593 -3.511 5.401
246 HG21 VAL 36 3HG2 VAL 36 -13.517 -5.748 4.701
247 HG22 VAL 36 1HG2 VAL 36 -12.980 -5.385 6.341
248 HG23 VAL 36 2HG2 VAL 36 -13.605 -6.988 5.952
249 H SER 37 H SER 37 -17.759 -7.255 6.654
250 HA SER 37 HA SER 37 -17.368 -9.920 7.295
251 HB2 SER 37 1HB SER 37 -19.221 -10.420 5.838
252 HB3 SER 37 2HB SER 37 -19.538 -8.862 6.602
253 HG SER 37 HG SER 37 -19.804 -8.216 4.618
254 H GLY 38 H GLY 38 -16.625 -11.722 6.197
255 HA2 GLY 38 1HA GLY 38 -15.853 -11.894 3.539
256 HA3 GLY 38 2HA GLY 38 -14.451 -11.301 4.417
257 HA PRO 39 HA PRO 39 -15.521 -15.780 5.994
258 HB2 PRO 39 1HB PRO 39 -16.948 -17.273 4.232
259 HB3 PRO 39 2HB PRO 39 -17.703 -16.309 5.507
260 HG2 PRO 39 1HG PRO 39 -17.348 -15.666 2.605
261 HG3 PRO 39 2HG PRO 39 -18.765 -15.416 3.641
262 HD2 PRO 39 1HD PRO 39 -17.049 -13.418 3.013
263 HD3 PRO 39 2HD PRO 39 -17.905 -13.489 4.567
264 H SER 40 H SER 40 -14.394 -14.612 3.061
265 HA SER 40 HA SER 40 -13.386 -16.924 1.819
266 HB2 SER 40 1HB SER 40 -12.136 -14.173 1.724
267 HB3 SER 40 2HB SER 40 -12.018 -15.446 0.509
268 HG SER 40 HG SER 40 -13.753 -13.536 0.536
269 H SER 41 H SER 41 -11.734 -18.218 2.293
270 HA SER 41 HA SER 41 -10.403 -18.273 4.678
271 HB2 SER 41 1HB SER 41 -9.738 -19.374 1.972
272 HB3 SER 41 2HB SER 41 -8.568 -19.534 3.281
273 HG SER 41 HG SER 41 -11.218 -20.233 3.806
274 H GLY 42 H GLY 42 -9.202 -16.746 5.594
275 HA2 GLY 42 1HA GLY 42 -7.131 -15.442 3.941
276 HA3 GLY 42 2HA GLY 42 -8.128 -14.511 5.050
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -7.634 16.030 -12.587
2 HA2 GLY 1 1HA GLY 1 -5.867 13.934 -13.553
3 HA3 GLY 1 2HA GLY 1 -5.916 15.600 -14.112
4 H SER 2 H SER 2 -4.331 13.341 -12.128
5 HA SER 2 HA SER 2 -3.125 15.019 -10.228
6 HB2 SER 2 1HB SER 2 -2.175 12.422 -11.453
7 HB3 SER 2 2HB SER 2 -1.384 13.210 -10.088
8 HG SER 2 HG SER 2 -3.322 11.525 -9.930
9 H SER 3 H SER 3 -1.525 16.458 -10.346
10 HA SER 3 HA SER 3 -0.539 17.396 -12.790
11 HB2 SER 3 1HB SER 3 -0.618 18.520 -10.426
12 HB3 SER 3 2HB SER 3 0.989 17.818 -10.241
13 HG SER 3 HG SER 3 1.692 18.996 -11.987
14 H GLY 4 H GLY 4 1.470 17.224 -13.801
15 HA2 GLY 4 1HA GLY 4 2.636 14.701 -13.903
16 HA3 GLY 4 2HA GLY 4 3.382 16.172 -14.510
17 H SER 5 H SER 5 3.100 14.009 -11.773
18 HA SER 5 HA SER 5 5.711 14.918 -10.838
19 HB2 SER 5 1HB SER 5 3.756 16.103 -9.597
20 HB3 SER 5 2HB SER 5 3.523 14.542 -8.810
21 HG SER 5 HG SER 5 5.310 14.821 -7.708
22 H SER 6 H SER 6 6.453 13.448 -8.967
23 HA SER 6 HA SER 6 6.797 10.887 -9.830
24 HB2 SER 6 1HB SER 6 7.791 12.196 -7.763
25 HB3 SER 6 2HB SER 6 6.547 11.312 -6.878
26 HG SER 6 HG SER 6 8.105 9.863 -6.850
27 H GLY 7 H GLY 7 5.863 8.871 -9.426
28 HA2 GLY 7 1HA GLY 7 3.114 8.965 -8.345
29 HA3 GLY 7 2HA GLY 7 3.516 8.063 -9.800
30 H GLU 8 H GLU 8 5.992 6.991 -8.887
31 HA GLU 8 HA GLU 8 5.150 4.622 -7.710
32 HB2 GLU 8 1HB GLU 8 7.808 5.930 -8.083
33 HB3 GLU 8 2HB GLU 8 7.708 4.517 -7.042
34 HG2 GLU 8 1HG GLU 8 6.640 4.525 -9.846
35 HG3 GLU 8 2HG GLU 8 8.313 4.119 -9.467
36 H LYS 9 H LYS 9 5.260 3.779 -5.632
37 HA LYS 9 HA LYS 9 5.857 5.654 -3.455
38 HB2 LYS 9 1HB LYS 9 3.288 4.207 -3.962
39 HB3 LYS 9 2HB LYS 9 3.795 4.495 -2.303
40 HG2 LYS 9 1HG LYS 9 3.636 6.804 -2.523
41 HG3 LYS 9 2HG LYS 9 3.680 6.734 -4.286
42 HD2 LYS 9 1HD LYS 9 1.436 5.365 -2.902
43 HD3 LYS 9 2HD LYS 9 1.423 7.130 -2.941
44 HE2 LYS 9 1HE LYS 9 0.314 6.701 -4.888
45 HE3 LYS 9 2HE LYS 9 1.969 6.719 -5.495
46 HZ1 LYS 9 3HZ LYS 9 1.532 4.136 -4.678
47 HZ2 LYS 9 1HZ LYS 9 1.566 4.696 -6.274
48 HZ3 LYS 9 2HZ LYS 9 0.094 4.580 -5.449
49 HA PRO 10 HA PRO 10 8.073 2.210 -1.828
50 HB2 PRO 10 1HB PRO 10 8.291 3.046 0.746
51 HB3 PRO 10 2HB PRO 10 9.234 3.747 -0.575
52 HG2 PRO 10 1HG PRO 10 6.737 4.771 0.721
53 HG3 PRO 10 2HG PRO 10 8.194 5.660 0.240
54 HD2 PRO 10 1HD PRO 10 5.932 5.656 -1.249
55 HD3 PRO 10 2HD PRO 10 7.551 5.770 -1.970
56 H TYR 11 H TYR 11 5.486 3.413 0.321
57 HA TYR 11 HA TYR 11 5.062 0.885 1.552
58 HB2 TYR 11 1HB TYR 11 3.157 3.231 1.460
59 HB3 TYR 11 2HB TYR 11 3.170 1.923 2.638
60 HD1 TYR 11 HD2 TYR 11 4.883 4.978 1.520
61 HD2 TYR 11 HD1 TYR 11 4.729 1.917 4.471
62 HE1 TYR 11 HE2 TYR 11 6.371 6.302 2.962
63 HE2 TYR 11 HE1 TYR 11 6.216 3.232 5.922
64 HH TYR 11 HH TYR 11 7.783 4.994 5.839
65 H VAL 12 H VAL 12 3.646 -0.717 1.099
66 HA VAL 12 HA VAL 12 1.560 -0.336 -0.885
67 HB VAL 12 HB VAL 12 3.758 -2.365 -1.310
68 HG11 VAL 12 1HG1 VAL 12 2.134 -3.553 -2.289
69 HG12 VAL 12 2HG1 VAL 12 1.011 -2.192 -2.285
70 HG13 VAL 12 3HG1 VAL 12 2.210 -2.344 -3.570
71 HG21 VAL 12 3HG2 VAL 12 4.298 -1.132 -3.304
72 HG22 VAL 12 1HG2 VAL 12 2.951 -0.026 -3.033
73 HG23 VAL 12 2HG2 VAL 12 4.327 -0.027 -1.930
74 H CYS 13 H CYS 13 -0.198 -1.321 -0.158
75 HA CYS 13 HA CYS 13 -0.172 -3.040 2.089
76 HB2 CYS 13 1HB CYS 13 -2.125 -1.755 1.807
77 HB3 CYS 13 2HB CYS 13 -2.299 -2.228 0.121
78 H SER 14 H SER 14 -1.030 -5.237 2.172
79 HA SER 14 HA SER 14 -0.100 -6.805 -0.132
80 HB2 SER 14 1HB SER 14 -0.482 -7.593 2.766
81 HB3 SER 14 2HB SER 14 0.024 -8.698 1.488
82 HG SER 14 HG SER 14 1.467 -6.335 1.769
83 H ASP 15 H ASP 15 -2.815 -6.320 2.043
84 HA ASP 15 HA ASP 15 -4.430 -8.459 1.319
85 HB2 ASP 15 1HB ASP 15 -5.341 -5.650 1.983
86 HB3 ASP 15 2HB ASP 15 -6.315 -7.114 2.091
87 H CYS 16 H CYS 16 -4.868 -5.137 0.095
88 HA CYS 16 HA CYS 16 -6.060 -6.256 -2.334
89 HB2 CYS 16 1HB CYS 16 -6.851 -3.943 -2.744
90 HB3 CYS 16 2HB CYS 16 -7.399 -4.581 -1.198
91 H GLY 17 H GLY 17 -3.500 -4.059 -1.266
92 HA2 GLY 17 1HA GLY 17 -1.374 -4.142 -2.450
93 HA3 GLY 17 2HA GLY 17 -2.283 -4.348 -3.940
94 H LYS 18 H LYS 18 -3.285 -2.064 -1.509
95 HA LYS 18 HA LYS 18 -3.087 0.093 -3.405
96 HB2 LYS 18 1HB LYS 18 -4.925 -0.275 -1.638
97 HB3 LYS 18 2HB LYS 18 -3.771 0.388 -0.488
98 HG2 LYS 18 1HG LYS 18 -3.781 2.490 -1.514
99 HG3 LYS 18 2HG LYS 18 -4.522 1.862 -2.989
100 HD2 LYS 18 1HD LYS 18 -6.020 1.593 -0.432
101 HD3 LYS 18 2HD LYS 18 -5.930 3.187 -1.184
102 HE2 LYS 18 1HE LYS 18 -6.806 0.707 -2.650
103 HE3 LYS 18 2HE LYS 18 -7.925 1.790 -1.824
104 HZ1 LYS 18 3HZ LYS 18 -7.262 3.576 -3.255
105 HZ2 LYS 18 1HZ LYS 18 -7.701 2.255 -4.217
106 HZ3 LYS 18 2HZ LYS 18 -6.067 2.625 -3.984
107 H ALA 19 H ALA 19 -1.406 1.398 -3.670
108 HA ALA 19 HA ALA 19 0.811 1.283 -1.792
109 HB1 ALA 19 3HB ALA 19 1.961 2.695 -3.521
110 HB2 ALA 19 1HB ALA 19 1.433 1.107 -4.078
111 HB3 ALA 19 2HB ALA 19 0.507 2.545 -4.508
112 H PHE 20 H PHE 20 1.749 3.120 -0.817
113 HA PHE 20 HA PHE 20 0.225 5.608 -0.873
114 HB2 PHE 20 1HB PHE 20 0.794 4.051 1.657
115 HB3 PHE 20 2HB PHE 20 0.202 5.708 1.618
116 HD1 PHE 20 HD1 PHE 20 -2.068 6.200 0.864
117 HD2 PHE 20 HD2 PHE 20 -0.645 2.201 1.177
118 HE1 PHE 20 HE1 PHE 20 -4.382 5.372 0.757
119 HE2 PHE 20 HE2 PHE 20 -2.957 1.367 1.069
120 HZ PHE 20 HZ PHE 20 -4.829 2.953 0.858
121 H THR 21 H THR 21 1.418 7.428 -0.374
122 HA THR 21 HA THR 21 4.256 7.178 -0.664
123 HB THR 21 HB THR 21 2.614 9.643 -0.050
124 HG1 THR 21 HG1 THR 21 1.972 8.950 -2.034
125 HG21 THR 21 3HG2 THR 21 5.486 9.166 -0.472
126 HG22 THR 21 1HG2 THR 21 4.666 10.498 0.341
127 HG23 THR 21 2HG2 THR 21 4.802 10.488 -1.418
128 H PHE 22 H PHE 22 2.064 8.047 1.970
129 HA PHE 22 HA PHE 22 4.346 8.254 3.799
130 HB2 PHE 22 1HB PHE 22 1.439 8.984 4.211
131 HB3 PHE 22 2HB PHE 22 2.725 9.223 5.390
132 HD1 PHE 22 HD2 PHE 22 1.863 10.088 1.868
133 HD2 PHE 22 HD1 PHE 22 3.771 11.267 5.486
134 HE1 PHE 22 HE2 PHE 22 2.339 12.296 0.893
135 HE2 PHE 22 HE1 PHE 22 4.249 13.478 4.517
136 HZ PHE 22 HZ PHE 22 3.535 13.994 2.218
137 H LYS 23 H LYS 23 4.237 7.189 5.882
138 HA LYS 23 HA LYS 23 3.450 4.456 5.636
139 HB2 LYS 23 1HB LYS 23 5.464 5.143 6.876
140 HB3 LYS 23 2HB LYS 23 4.454 5.974 8.052
141 HG2 LYS 23 1HG LYS 23 3.483 3.885 8.761
142 HG3 LYS 23 2HG LYS 23 4.365 3.014 7.503
143 HD2 LYS 23 1HD LYS 23 6.456 4.103 8.660
144 HD3 LYS 23 2HD LYS 23 5.365 4.221 10.043
145 HE2 LYS 23 1HE LYS 23 4.900 1.775 9.768
146 HE3 LYS 23 2HE LYS 23 6.177 1.729 8.554
147 HZ1 LYS 23 3HZ LYS 23 7.108 1.061 10.616
148 HZ2 LYS 23 1HZ LYS 23 6.458 2.394 11.431
149 HZ3 LYS 23 2HZ LYS 23 7.693 2.616 10.298
150 H SER 24 H SER 24 2.476 7.019 7.921
151 HA SER 24 HA SER 24 0.513 5.736 9.308
152 HB2 SER 24 1HB SER 24 1.294 8.129 9.603
153 HB3 SER 24 2HB SER 24 0.189 8.568 8.301
154 HG SER 24 HG SER 24 -0.364 7.708 10.903
155 H GLN 25 H GLN 25 0.206 7.231 6.114
156 HA GLN 25 HA GLN 25 -2.516 7.003 5.720
157 HB2 GLN 25 1HB GLN 25 -0.146 7.018 3.925
158 HB3 GLN 25 2HB GLN 25 -1.679 6.508 3.231
159 HG2 GLN 25 1HG GLN 25 -1.445 9.064 4.772
160 HG3 GLN 25 2HG GLN 25 -1.020 8.976 3.063
161 HE21 GLN 25 1HE2 GLN 25 -3.609 8.580 5.389
162 HE22 GLN 25 2HE2 GLN 25 -4.906 8.788 4.268
163 H LEU 26 H LEU 26 -0.010 4.580 5.015
164 HA LEU 26 HA LEU 26 -1.768 2.601 4.049
165 HB2 LEU 26 1HB LEU 26 0.550 2.433 3.550
166 HB3 LEU 26 2HB LEU 26 0.983 2.450 5.258
167 HG LEU 26 HG LEU 26 -0.141 0.222 5.477
168 HD11 LEU 26 1HD1 LEU 26 -1.598 -0.077 3.746
169 HD12 LEU 26 2HD1 LEU 26 -0.198 -0.941 3.113
170 HD13 LEU 26 3HD1 LEU 26 -0.539 0.702 2.570
171 HD21 LEU 26 3HD2 LEU 26 2.382 0.894 4.346
172 HD22 LEU 26 1HD2 LEU 26 1.793 -0.576 3.570
173 HD23 LEU 26 2HD2 LEU 26 1.947 -0.508 5.326
174 H ILE 27 H ILE 27 -0.136 2.812 7.217
175 HA ILE 27 HA ILE 27 -1.179 0.708 8.540
176 HB ILE 27 HB ILE 27 -0.929 3.505 9.652
177 HG12 ILE 27 1HG1 ILE 27 0.994 1.190 9.900
178 HG13 ILE 27 2HG1 ILE 27 1.123 2.408 8.636
179 HG21 ILE 27 1HG2 ILE 27 -2.354 2.125 11.064
180 HG22 ILE 27 2HG2 ILE 27 -1.122 0.864 11.095
181 HG23 ILE 27 3HG2 ILE 27 -0.803 2.427 11.847
182 HD11 ILE 27 3HD1 ILE 27 1.277 2.897 11.601
183 HD12 ILE 27 1HD1 ILE 27 2.625 2.904 10.463
184 HD13 ILE 27 2HD1 ILE 27 1.369 4.138 10.351
185 H VAL 28 H VAL 28 -2.822 3.850 8.203
186 HA VAL 28 HA VAL 28 -5.189 3.064 9.535
187 HB VAL 28 HB VAL 28 -4.810 5.249 7.483
188 HG11 VAL 28 1HG1 VAL 28 -6.915 5.962 7.864
189 HG12 VAL 28 2HG1 VAL 28 -7.187 4.276 8.308
190 HG13 VAL 28 3HG1 VAL 28 -6.885 5.482 9.560
191 HG21 VAL 28 3HG2 VAL 28 -3.328 5.629 9.315
192 HG22 VAL 28 1HG2 VAL 28 -4.706 6.711 9.516
193 HG23 VAL 28 2HG2 VAL 28 -4.587 5.244 10.488
194 H HIS 29 H HIS 29 -4.191 2.978 6.158
195 HA HIS 29 HA HIS 29 -6.682 2.360 5.020
196 HB2 HIS 29 1HB HIS 29 -5.124 2.965 3.427
197 HB3 HIS 29 2HB HIS 29 -3.836 2.026 4.177
198 HD1 HIS 29 HD1 HIS 29 -6.623 1.777 1.723
199 HD2 HIS 29 HD2 HIS 29 -3.749 -0.691 3.429
200 HE1 HIS 29 HE1 HIS 29 -6.626 -0.319 0.334
201 H GLN 30 H GLN 30 -3.989 0.166 5.839
202 HA GLN 30 HA GLN 30 -4.977 -2.253 5.221
203 HB2 GLN 30 1HB GLN 30 -3.585 -1.496 7.793
204 HB3 GLN 30 2HB GLN 30 -3.827 -3.154 7.259
205 HG2 GLN 30 1HG GLN 30 -2.622 -2.360 5.103
206 HG3 GLN 30 2HG GLN 30 -2.052 -1.042 6.125
207 HE21 GLN 30 1HE2 GLN 30 0.061 -1.600 6.225
208 HE22 GLN 30 2HE2 GLN 30 0.645 -3.049 6.961
209 H GLY 31 H GLY 31 -6.198 -0.152 7.711
210 HA2 GLY 31 1HA GLY 31 -7.660 -1.969 9.251
211 HA3 GLY 31 2HA GLY 31 -8.070 -0.274 9.032
212 H ILE 32 H ILE 32 -8.648 -0.182 6.342
213 HA ILE 32 HA ILE 32 -11.275 -0.725 6.127
214 HB ILE 32 HB ILE 32 -11.114 -0.638 3.763
215 HG12 ILE 32 1HG1 ILE 32 -8.171 -1.297 3.983
216 HG13 ILE 32 2HG1 ILE 32 -9.414 -2.479 3.589
217 HG21 ILE 32 1HG2 ILE 32 -8.766 0.960 3.915
218 HG22 ILE 32 2HG2 ILE 32 -10.452 1.475 3.880
219 HG23 ILE 32 3HG2 ILE 32 -9.665 1.139 5.422
220 HD11 ILE 32 3HD1 ILE 32 -9.940 -1.334 1.557
221 HD12 ILE 32 1HD1 ILE 32 -8.866 -0.000 1.978
222 HD13 ILE 32 2HD1 ILE 32 -8.197 -1.594 1.625
223 H HIS 33 H HIS 33 -8.700 -3.056 5.926
224 HA HIS 33 HA HIS 33 -10.440 -5.162 4.950
225 HB2 HIS 33 1HB HIS 33 -7.582 -5.336 5.924
226 HB3 HIS 33 2HB HIS 33 -8.461 -6.578 5.038
227 HD1 HIS 33 HD1 HIS 33 -9.311 -5.675 2.549
228 HD2 HIS 33 HD2 HIS 33 -6.073 -3.770 4.323
229 HE1 HIS 33 HE1 HIS 33 -8.123 -4.487 0.678
230 H THR 34 H THR 34 -8.288 -4.945 7.787
231 HA THR 34 HA THR 34 -8.407 -6.148 9.763
232 HB THR 34 HB THR 34 -10.482 -5.421 11.078
233 HG1 THR 34 HG1 THR 34 -11.526 -4.949 8.854
234 HG21 THR 34 3HG2 THR 34 -8.187 -3.941 10.178
235 HG22 THR 34 1HG2 THR 34 -8.998 -3.895 11.743
236 HG23 THR 34 2HG2 THR 34 -9.550 -2.851 10.433
237 H GLY 35 H GLY 35 -9.080 -7.900 7.744
238 HA2 GLY 35 1HA GLY 35 -11.580 -9.202 8.474
239 HA3 GLY 35 2HA GLY 35 -10.501 -9.673 7.169
240 H VAL 36 H VAL 36 -10.938 -11.851 8.026
241 HA VAL 36 HA VAL 36 -10.290 -12.799 10.524
242 HB VAL 36 HB VAL 36 -9.798 -14.201 7.892
243 HG11 VAL 36 1HG1 VAL 36 -9.834 -16.257 9.115
244 HG12 VAL 36 2HG1 VAL 36 -8.641 -15.197 9.868
245 HG13 VAL 36 3HG1 VAL 36 -10.223 -15.418 10.616
246 HG21 VAL 36 3HG2 VAL 36 -12.211 -14.124 9.701
247 HG22 VAL 36 1HG2 VAL 36 -12.091 -13.498 8.056
248 HG23 VAL 36 2HG2 VAL 36 -12.012 -15.236 8.347
249 H SER 37 H SER 37 -8.457 -13.487 11.562
250 HA SER 37 HA SER 37 -5.904 -12.755 10.284
251 HB2 SER 37 1HB SER 37 -5.032 -12.256 12.498
252 HB3 SER 37 2HB SER 37 -6.525 -11.352 12.244
253 HG SER 37 HG SER 37 -6.740 -13.868 13.416
254 H GLY 38 H GLY 38 -4.117 -14.112 10.559
255 HA2 GLY 38 1HA GLY 38 -4.840 -16.882 11.230
256 HA3 GLY 38 2HA GLY 38 -3.499 -16.396 10.204
257 HA PRO 39 HA PRO 39 -2.259 -17.130 14.760
258 HB2 PRO 39 1HB PRO 39 -1.225 -19.629 14.528
259 HB3 PRO 39 2HB PRO 39 -2.913 -19.323 14.957
260 HG2 PRO 39 1HG PRO 39 -1.735 -20.049 12.302
261 HG3 PRO 39 2HG PRO 39 -3.208 -20.660 13.077
262 HD2 PRO 39 1HD PRO 39 -3.258 -18.769 11.139
263 HD3 PRO 39 2HD PRO 39 -4.449 -18.820 12.454
264 H SER 40 H SER 40 -0.531 -15.796 14.734
265 HA SER 40 HA SER 40 1.538 -14.946 14.267
266 HB2 SER 40 1HB SER 40 1.902 -17.173 15.601
267 HB3 SER 40 2HB SER 40 2.556 -17.761 14.073
268 HG SER 40 HG SER 40 4.271 -16.893 15.100
269 H SER 41 H SER 41 -0.021 -15.144 11.982
270 HA SER 41 HA SER 41 1.954 -15.924 9.937
271 HB2 SER 41 1HB SER 41 -0.138 -17.273 9.887
272 HB3 SER 41 2HB SER 41 -1.055 -15.792 9.617
273 HG SER 41 HG SER 41 1.076 -16.270 7.900
274 H GLY 42 H GLY 42 2.134 -13.445 11.168
275 HA2 GLY 42 1HA GLY 42 2.286 -11.205 10.693
276 HA3 GLY 42 2HA GLY 42 2.272 -11.698 9.006
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -9.909 19.291 -12.787
2 HA2 GLY 1 1HA GLY 1 -8.700 17.364 -13.802
3 HA3 GLY 1 2HA GLY 1 -8.104 18.510 -14.994
4 H SER 2 H SER 2 -8.166 17.982 -11.475
5 HA SER 2 HA SER 2 -5.565 19.328 -11.287
6 HB2 SER 2 1HB SER 2 -6.002 19.441 -8.868
7 HB3 SER 2 2HB SER 2 -7.325 20.160 -9.786
8 HG SER 2 HG SER 2 -8.089 18.773 -8.138
9 H SER 3 H SER 3 -3.829 18.079 -11.319
10 HA SER 3 HA SER 3 -3.801 15.607 -9.774
11 HB2 SER 3 1HB SER 3 -3.175 15.738 -12.730
12 HB3 SER 3 2HB SER 3 -2.730 14.383 -11.693
13 HG SER 3 HG SER 3 -4.659 13.676 -12.098
14 H GLY 4 H GLY 4 -1.495 14.636 -9.858
15 HA2 GLY 4 1HA GLY 4 0.743 16.163 -10.522
16 HA3 GLY 4 2HA GLY 4 0.290 16.599 -8.881
17 H SER 5 H SER 5 1.228 13.905 -10.960
18 HA SER 5 HA SER 5 2.879 12.778 -8.933
19 HB2 SER 5 1HB SER 5 1.701 10.688 -8.569
20 HB3 SER 5 2HB SER 5 0.638 12.027 -8.139
21 HG SER 5 HG SER 5 -0.695 11.063 -9.452
22 H SER 6 H SER 6 4.566 12.304 -10.171
23 HA SER 6 HA SER 6 4.103 11.095 -12.810
24 HB2 SER 6 1HB SER 6 6.584 12.445 -11.716
25 HB3 SER 6 2HB SER 6 6.396 11.809 -13.350
26 HG SER 6 HG SER 6 5.387 13.567 -13.876
27 H GLY 7 H GLY 7 6.241 10.822 -9.973
28 HA2 GLY 7 1HA GLY 7 7.355 8.327 -10.803
29 HA3 GLY 7 2HA GLY 7 7.512 9.057 -9.212
30 H GLU 8 H GLU 8 6.924 7.579 -7.765
31 HA GLU 8 HA GLU 8 4.229 6.522 -7.862
32 HB2 GLU 8 1HB GLU 8 4.822 4.209 -7.728
33 HB3 GLU 8 2HB GLU 8 5.632 4.882 -9.135
34 HG2 GLU 8 1HG GLU 8 7.006 4.627 -6.483
35 HG3 GLU 8 2HG GLU 8 6.965 3.308 -7.652
36 H LYS 9 H LYS 9 3.971 4.970 -5.846
37 HA LYS 9 HA LYS 9 4.980 6.501 -3.569
38 HB2 LYS 9 1HB LYS 9 2.660 4.648 -3.989
39 HB3 LYS 9 2HB LYS 9 3.244 4.963 -2.360
40 HG2 LYS 9 1HG LYS 9 1.561 6.521 -2.611
41 HG3 LYS 9 2HG LYS 9 3.008 7.452 -3.005
42 HD2 LYS 9 1HD LYS 9 1.658 8.046 -4.757
43 HD3 LYS 9 2HD LYS 9 2.457 6.632 -5.450
44 HE2 LYS 9 1HE LYS 9 0.155 6.384 -5.923
45 HE3 LYS 9 2HE LYS 9 0.504 5.272 -4.600
46 HZ1 LYS 9 3HZ LYS 9 -0.835 7.913 -4.420
47 HZ2 LYS 9 1HZ LYS 9 -0.326 7.030 -3.069
48 HZ3 LYS 9 2HZ LYS 9 -1.509 6.395 -4.098
49 HA PRO 10 HA PRO 10 7.870 3.362 -2.454
50 HB2 PRO 10 1HB PRO 10 8.228 4.060 0.145
51 HB3 PRO 10 2HB PRO 10 8.908 4.983 -1.200
52 HG2 PRO 10 1HG PRO 10 6.435 5.513 0.401
53 HG3 PRO 10 2HG PRO 10 7.680 6.652 -0.144
54 HD2 PRO 10 1HD PRO 10 5.301 6.379 -1.408
55 HD3 PRO 10 2HD PRO 10 6.798 6.795 -2.268
56 H TYR 11 H TYR 11 5.359 3.999 0.005
57 HA TYR 11 HA TYR 11 5.455 1.327 1.019
58 HB2 TYR 11 1HB TYR 11 3.289 3.389 1.455
59 HB3 TYR 11 2HB TYR 11 3.648 1.995 2.467
60 HD1 TYR 11 HD2 TYR 11 4.731 5.364 1.494
61 HD2 TYR 11 HD1 TYR 11 5.494 2.031 4.025
62 HE1 TYR 11 HE2 TYR 11 6.243 6.749 2.852
63 HE2 TYR 11 HE1 TYR 11 7.007 3.407 5.391
64 HH TYR 11 HH TYR 11 7.477 5.686 5.889
65 H VAL 12 H VAL 12 3.864 -0.285 0.860
66 HA VAL 12 HA VAL 12 1.669 0.033 -0.997
67 HB VAL 12 HB VAL 12 3.790 -2.036 -1.585
68 HG11 VAL 12 1HG1 VAL 12 1.248 -1.265 -3.012
69 HG12 VAL 12 2HG1 VAL 12 2.476 -2.348 -3.670
70 HG13 VAL 12 3HG1 VAL 12 1.595 -2.795 -2.208
71 HG21 VAL 12 3HG2 VAL 12 4.287 -0.715 -3.588
72 HG22 VAL 12 1HG2 VAL 12 3.149 0.522 -3.053
73 HG23 VAL 12 2HG2 VAL 12 4.608 0.200 -2.116
74 H CYS 13 H CYS 13 -0.008 -1.005 -0.160
75 HA CYS 13 HA CYS 13 0.096 -2.596 2.121
76 HB2 CYS 13 1HB CYS 13 -1.929 -1.413 1.299
77 HB3 CYS 13 2HB CYS 13 -2.066 -2.601 0.006
78 H SER 14 H SER 14 -0.638 -4.875 2.317
79 HA SER 14 HA SER 14 0.599 -6.515 0.206
80 HB2 SER 14 1HB SER 14 1.808 -6.752 2.270
81 HB3 SER 14 2HB SER 14 0.317 -7.007 3.177
82 HG SER 14 HG SER 14 1.071 -9.016 2.842
83 H ASP 15 H ASP 15 -2.260 -5.963 2.085
84 HA ASP 15 HA ASP 15 -3.569 -8.423 1.600
85 HB2 ASP 15 1HB ASP 15 -4.261 -6.837 3.365
86 HB3 ASP 15 2HB ASP 15 -4.788 -5.704 2.124
87 H CYS 16 H CYS 16 -4.140 -5.229 0.109
88 HA CYS 16 HA CYS 16 -5.379 -6.572 -2.178
89 HB2 CYS 16 1HB CYS 16 -5.989 -4.168 -2.808
90 HB3 CYS 16 2HB CYS 16 -6.764 -4.839 -1.377
91 H GLY 17 H GLY 17 -2.923 -4.088 -1.485
92 HA2 GLY 17 1HA GLY 17 -0.764 -4.370 -2.652
93 HA3 GLY 17 2HA GLY 17 -1.697 -4.747 -4.093
94 H LYS 18 H LYS 18 -2.901 -2.251 -2.060
95 HA LYS 18 HA LYS 18 -2.547 -0.308 -4.153
96 HB2 LYS 18 1HB LYS 18 -4.514 -0.617 -2.417
97 HB3 LYS 18 2HB LYS 18 -3.512 0.433 -1.423
98 HG2 LYS 18 1HG LYS 18 -3.684 2.215 -2.928
99 HG3 LYS 18 2HG LYS 18 -4.259 1.173 -4.231
100 HD2 LYS 18 1HD LYS 18 -6.296 0.729 -2.790
101 HD3 LYS 18 2HD LYS 18 -5.738 2.048 -1.758
102 HE2 LYS 18 1HE LYS 18 -7.388 2.839 -3.365
103 HE3 LYS 18 2HE LYS 18 -5.815 3.574 -3.668
104 HZ1 LYS 18 3HZ LYS 18 -7.402 2.107 -5.438
105 HZ2 LYS 18 1HZ LYS 18 -5.995 1.210 -5.160
106 HZ3 LYS 18 2HZ LYS 18 -5.885 2.800 -5.725
107 H ALA 19 H ALA 19 -1.211 1.445 -4.187
108 HA ALA 19 HA ALA 19 1.018 1.395 -2.308
109 HB1 ALA 19 3HB ALA 19 2.245 2.604 -3.880
110 HB2 ALA 19 1HB ALA 19 1.246 1.529 -4.860
111 HB3 ALA 19 2HB ALA 19 0.796 3.225 -4.672
112 H PHE 20 H PHE 20 1.504 2.995 -0.889
113 HA PHE 20 HA PHE 20 -0.323 5.304 -0.790
114 HB2 PHE 20 1HB PHE 20 0.802 3.696 1.509
115 HB3 PHE 20 2HB PHE 20 -0.037 5.232 1.702
116 HD1 PHE 20 HD1 PHE 20 -2.432 5.408 1.217
117 HD2 PHE 20 HD2 PHE 20 -0.385 1.680 1.043
118 HE1 PHE 20 HE1 PHE 20 -4.588 4.225 1.279
119 HE2 PHE 20 HE2 PHE 20 -2.538 0.491 1.104
120 HZ PHE 20 HZ PHE 20 -4.643 1.763 1.221
121 H THR 21 H THR 21 0.562 7.286 -0.484
122 HA THR 21 HA THR 21 3.337 7.620 -0.993
123 HB THR 21 HB THR 21 1.351 9.689 -0.033
124 HG1 THR 21 HG1 THR 21 0.790 9.925 -2.106
125 HG21 THR 21 3HG2 THR 21 3.185 10.939 -1.647
126 HG22 THR 21 1HG2 THR 21 4.182 9.785 -0.762
127 HG23 THR 21 2HG2 THR 21 3.198 10.956 0.116
128 H PHE 22 H PHE 22 1.330 8.212 1.886
129 HA PHE 22 HA PHE 22 3.752 8.598 3.479
130 HB2 PHE 22 1HB PHE 22 0.829 9.090 4.047
131 HB3 PHE 22 2HB PHE 22 2.071 9.209 5.289
132 HD1 PHE 22 HD1 PHE 22 3.871 10.917 5.061
133 HD2 PHE 22 HD2 PHE 22 0.476 10.827 2.495
134 HE1 PHE 22 HE1 PHE 22 4.317 13.243 4.396
135 HE2 PHE 22 HE2 PHE 22 0.917 13.152 1.824
136 HZ PHE 22 HZ PHE 22 2.840 14.363 2.774
137 H LYS 23 H LYS 23 3.999 7.487 5.519
138 HA LYS 23 HA LYS 23 3.526 4.689 5.283
139 HB2 LYS 23 1HB LYS 23 5.527 5.688 6.382
140 HB3 LYS 23 2HB LYS 23 4.493 6.235 7.695
141 HG2 LYS 23 1HG LYS 23 3.849 3.767 7.954
142 HG3 LYS 23 2HG LYS 23 5.267 3.439 6.955
143 HD2 LYS 23 1HD LYS 23 6.690 4.584 8.555
144 HD3 LYS 23 2HD LYS 23 5.283 5.013 9.531
145 HE2 LYS 23 1HE LYS 23 6.010 3.159 10.658
146 HE3 LYS 23 2HE LYS 23 4.896 2.410 9.516
147 HZ1 LYS 23 3HZ LYS 23 7.691 2.028 9.793
148 HZ2 LYS 23 1HZ LYS 23 7.327 2.543 8.223
149 HZ3 LYS 23 2HZ LYS 23 6.584 1.161 8.853
150 H SER 24 H SER 24 2.358 7.133 7.600
151 HA SER 24 HA SER 24 0.724 5.575 9.156
152 HB2 SER 24 1HB SER 24 0.667 8.436 8.328
153 HB3 SER 24 2HB SER 24 -0.771 7.789 9.117
154 HG SER 24 HG SER 24 0.478 7.241 10.888
155 H GLN 25 H GLN 25 -0.079 7.092 6.051
156 HA GLN 25 HA GLN 25 -2.753 6.472 5.867
157 HB2 GLN 25 1HB GLN 25 -0.636 6.528 3.718
158 HB3 GLN 25 2HB GLN 25 -2.352 6.363 3.372
159 HG2 GLN 25 1HG GLN 25 -2.765 8.515 4.478
160 HG3 GLN 25 2HG GLN 25 -1.033 8.684 4.762
161 HE21 GLN 25 1HE2 GLN 25 -3.521 9.492 2.753
162 HE22 GLN 25 2HE2 GLN 25 -2.619 9.913 1.340
163 H LEU 26 H LEU 26 0.025 4.401 5.169
164 HA LEU 26 HA LEU 26 -1.501 2.214 4.184
165 HB2 LEU 26 1HB LEU 26 0.804 2.397 3.583
166 HB3 LEU 26 2HB LEU 26 1.298 2.407 5.274
167 HG LEU 26 HG LEU 26 0.576 0.060 5.475
168 HD11 LEU 26 1HD1 LEU 26 0.253 0.047 2.490
169 HD12 LEU 26 2HD1 LEU 26 -1.110 0.273 3.586
170 HD13 LEU 26 3HD1 LEU 26 -0.165 -1.215 3.649
171 HD21 LEU 26 3HD2 LEU 26 2.907 0.744 4.824
172 HD22 LEU 26 1HD2 LEU 26 2.460 0.403 3.153
173 HD23 LEU 26 2HD2 LEU 26 2.440 -0.890 4.353
174 H ILE 27 H ILE 27 0.098 2.805 7.311
175 HA ILE 27 HA ILE 27 -0.602 0.493 8.632
176 HB ILE 27 HB ILE 27 -0.442 3.286 9.769
177 HG12 ILE 27 1HG1 ILE 27 1.634 1.126 10.007
178 HG13 ILE 27 2HG1 ILE 27 1.576 2.160 8.583
179 HG21 ILE 27 1HG2 ILE 27 0.236 1.388 11.718
180 HG22 ILE 27 2HG2 ILE 27 -1.178 2.440 11.684
181 HG23 ILE 27 3HG2 ILE 27 -1.265 0.823 10.986
182 HD11 ILE 27 3HD1 ILE 27 3.100 3.245 9.912
183 HD12 ILE 27 1HD1 ILE 27 1.606 4.092 10.315
184 HD13 ILE 27 2HD1 ILE 27 2.240 2.856 11.402
185 H VAL 28 H VAL 28 -2.478 3.512 8.447
186 HA VAL 28 HA VAL 28 -4.679 2.560 9.948
187 HB VAL 28 HB VAL 28 -4.590 4.779 7.900
188 HG11 VAL 28 1HG1 VAL 28 -6.865 4.133 8.233
189 HG12 VAL 28 2HG1 VAL 28 -6.648 4.069 9.983
190 HG13 VAL 28 3HG1 VAL 28 -6.590 5.618 9.142
191 HG21 VAL 28 3HG2 VAL 28 -3.039 5.279 9.626
192 HG22 VAL 28 1HG2 VAL 28 -4.493 6.216 9.969
193 HG23 VAL 28 2HG2 VAL 28 -4.158 4.743 10.879
194 H HIS 29 H HIS 29 -3.876 2.465 6.534
195 HA HIS 29 HA HIS 29 -6.425 1.689 5.583
196 HB2 HIS 29 1HB HIS 29 -4.992 2.506 3.928
197 HB3 HIS 29 2HB HIS 29 -3.638 1.524 4.479
198 HD1 HIS 29 HD1 HIS 29 -6.853 1.260 2.533
199 HD2 HIS 29 HD2 HIS 29 -3.430 -0.963 3.307
200 HE1 HIS 29 HE1 HIS 29 -6.947 -0.691 0.950
201 H GLN 30 H GLN 30 -3.543 -0.176 6.488
202 HA GLN 30 HA GLN 30 -4.286 -2.709 5.796
203 HB2 GLN 30 1HB GLN 30 -2.858 -1.787 8.291
204 HB3 GLN 30 2HB GLN 30 -2.982 -3.474 7.810
205 HG2 GLN 30 1HG GLN 30 -1.794 -2.980 5.740
206 HG3 GLN 30 2HG GLN 30 -1.682 -1.284 6.206
207 HE21 GLN 30 1HE2 GLN 30 0.640 -1.987 5.758
208 HE22 GLN 30 2HE2 GLN 30 1.546 -2.519 7.130
209 H GLY 31 H GLY 31 -5.769 -0.683 8.136
210 HA2 GLY 31 1HA GLY 31 -6.995 -2.774 9.676
211 HA3 GLY 31 2HA GLY 31 -7.391 -1.063 9.737
212 H ILE 32 H ILE 32 -7.942 -0.814 6.913
213 HA ILE 32 HA ILE 32 -10.656 -1.203 6.837
214 HB ILE 32 HB ILE 32 -10.614 -0.753 4.535
215 HG12 ILE 32 1HG1 ILE 32 -8.236 -0.984 3.367
216 HG13 ILE 32 2HG1 ILE 32 -8.012 -2.211 4.610
217 HG21 ILE 32 1HG2 ILE 32 -8.947 0.681 6.285
218 HG22 ILE 32 2HG2 ILE 32 -8.096 0.594 4.743
219 HG23 ILE 32 3HG2 ILE 32 -9.727 1.263 4.814
220 HD11 ILE 32 3HD1 ILE 32 -9.419 -2.384 2.141
221 HD12 ILE 32 1HD1 ILE 32 -9.084 -3.648 3.323
222 HD13 ILE 32 2HD1 ILE 32 -10.541 -2.666 3.471
223 H HIS 33 H HIS 33 -8.134 -3.520 6.230
224 HA HIS 33 HA HIS 33 -9.908 -5.463 5.034
225 HB2 HIS 33 1HB HIS 33 -7.073 -5.815 6.027
226 HB3 HIS 33 2HB HIS 33 -7.961 -6.926 4.988
227 HD1 HIS 33 HD1 HIS 33 -8.403 -6.117 2.517
228 HD2 HIS 33 HD2 HIS 33 -5.847 -3.708 4.737
229 HE1 HIS 33 HE1 HIS 33 -7.244 -4.643 0.841
230 H THR 34 H THR 34 -10.758 -4.568 7.580
231 HA THR 34 HA THR 34 -10.518 -7.068 9.122
232 HB THR 34 HB THR 34 -10.747 -5.784 11.199
233 HG1 THR 34 HG1 THR 34 -11.823 -3.953 10.120
234 HG21 THR 34 3HG2 THR 34 -8.522 -5.724 11.264
235 HG22 THR 34 1HG2 THR 34 -8.511 -4.259 10.283
236 HG23 THR 34 2HG2 THR 34 -8.482 -5.842 9.505
237 H GLY 35 H GLY 35 -12.412 -8.052 8.661
238 HA2 GLY 35 1HA GLY 35 -14.688 -8.206 9.588
239 HA3 GLY 35 2HA GLY 35 -14.873 -6.504 9.193
240 H VAL 36 H VAL 36 -15.264 -5.885 7.062
241 HA VAL 36 HA VAL 36 -16.201 -8.074 5.341
242 HB VAL 36 HB VAL 36 -16.883 -5.132 5.259
243 HG11 VAL 36 1HG1 VAL 36 -17.172 -7.215 3.296
244 HG12 VAL 36 2HG1 VAL 36 -18.752 -6.612 3.799
245 HG13 VAL 36 3HG1 VAL 36 -17.541 -5.495 3.168
246 HG21 VAL 36 3HG2 VAL 36 -17.764 -6.713 7.142
247 HG22 VAL 36 1HG2 VAL 36 -18.871 -5.612 6.322
248 HG23 VAL 36 2HG2 VAL 36 -18.826 -7.316 5.870
249 H SER 37 H SER 37 -15.375 -8.414 3.354
250 HA SER 37 HA SER 37 -13.149 -6.680 2.523
251 HB2 SER 37 1HB SER 37 -13.725 -9.600 2.158
252 HB3 SER 37 2HB SER 37 -12.677 -8.768 1.008
253 HG SER 37 HG SER 37 -11.260 -9.345 2.503
254 H GLY 38 H GLY 38 -12.809 -6.650 0.077
255 HA2 GLY 38 1HA GLY 38 -15.005 -5.398 -1.138
256 HA3 GLY 38 2HA GLY 38 -13.562 -5.951 -1.975
257 HA PRO 39 HA PRO 39 -17.200 -8.398 -3.508
258 HB2 PRO 39 1HB PRO 39 -16.617 -8.072 -6.140
259 HB3 PRO 39 2HB PRO 39 -17.588 -6.916 -5.220
260 HG2 PRO 39 1HG PRO 39 -14.687 -6.796 -5.949
261 HG3 PRO 39 2HG PRO 39 -15.905 -5.509 -5.993
262 HD2 PRO 39 1HD PRO 39 -14.110 -5.747 -3.979
263 HD3 PRO 39 2HD PRO 39 -15.748 -5.110 -3.728
264 H SER 40 H SER 40 -13.785 -8.480 -3.812
265 HA SER 40 HA SER 40 -13.628 -10.926 -5.308
266 HB2 SER 40 1HB SER 40 -11.684 -9.121 -3.943
267 HB3 SER 40 2HB SER 40 -11.183 -10.780 -4.269
268 HG SER 40 HG SER 40 -11.281 -8.732 -5.956
269 H SER 41 H SER 41 -13.057 -12.972 -4.546
270 HA SER 41 HA SER 41 -13.719 -13.421 -1.719
271 HB2 SER 41 1HB SER 41 -13.818 -15.260 -4.117
272 HB3 SER 41 2HB SER 41 -14.073 -15.809 -2.460
273 HG SER 41 HG SER 41 -15.738 -14.041 -2.448
274 H GLY 42 H GLY 42 -12.036 -13.673 -0.414
275 HA2 GLY 42 1HA GLY 42 -10.066 -15.651 -0.807
276 HA3 GLY 42 2HA GLY 42 -9.393 -14.085 -1.233
Start of MODEL 14
1 H1 GLY 1 H GLY 1 12.985 3.946 -18.493
2 HA2 GLY 1 1HA GLY 1 12.538 5.064 -16.315
3 HA3 GLY 1 2HA GLY 1 13.954 5.733 -17.113
4 H SER 2 H SER 2 11.261 6.570 -15.498
5 HA SER 2 HA SER 2 10.563 8.896 -17.102
6 HB2 SER 2 1HB SER 2 8.825 9.284 -15.417
7 HB3 SER 2 2HB SER 2 8.770 7.617 -15.990
8 HG SER 2 HG SER 2 10.312 7.388 -14.016
9 H SER 3 H SER 3 12.124 10.414 -17.016
10 HA SER 3 HA SER 3 13.959 10.995 -15.116
11 HB2 SER 3 1HB SER 3 14.184 13.147 -16.063
12 HB3 SER 3 2HB SER 3 13.552 12.153 -17.375
13 HG SER 3 HG SER 3 11.415 12.982 -16.345
14 H GLY 4 H GLY 4 14.003 11.732 -13.087
15 HA2 GLY 4 1HA GLY 4 13.052 13.503 -11.575
16 HA3 GLY 4 2HA GLY 4 11.487 12.815 -11.980
17 H SER 5 H SER 5 13.121 13.102 -9.422
18 HA SER 5 HA SER 5 13.448 10.315 -8.639
19 HB2 SER 5 1HB SER 5 14.129 12.950 -7.362
20 HB3 SER 5 2HB SER 5 14.107 11.470 -6.403
21 HG SER 5 HG SER 5 15.513 10.667 -8.248
22 H SER 6 H SER 6 10.824 10.956 -9.264
23 HA SER 6 HA SER 6 9.530 10.359 -6.743
24 HB2 SER 6 1HB SER 6 8.020 12.174 -6.702
25 HB3 SER 6 2HB SER 6 9.588 12.912 -7.030
26 HG SER 6 HG SER 6 7.352 12.702 -8.641
27 H GLY 7 H GLY 7 7.088 10.030 -7.145
28 HA2 GLY 7 1HA GLY 7 5.537 9.633 -9.130
29 HA3 GLY 7 2HA GLY 7 6.825 8.585 -9.704
30 H GLU 8 H GLU 8 7.217 6.610 -8.655
31 HA GLU 8 HA GLU 8 4.892 5.362 -7.600
32 HB2 GLU 8 1HB GLU 8 6.176 3.363 -7.527
33 HB3 GLU 8 2HB GLU 8 6.699 4.239 -8.958
34 HG2 GLU 8 1HG GLU 8 8.700 4.957 -7.879
35 HG3 GLU 8 2HG GLU 8 8.150 4.327 -6.327
36 H LYS 9 H LYS 9 4.421 4.675 -5.539
37 HA LYS 9 HA LYS 9 5.784 6.113 -3.407
38 HB2 LYS 9 1HB LYS 9 3.197 4.589 -3.584
39 HB3 LYS 9 2HB LYS 9 3.870 5.059 -2.029
40 HG2 LYS 9 1HG LYS 9 2.382 6.766 -2.519
41 HG3 LYS 9 2HG LYS 9 3.942 7.432 -3.005
42 HD2 LYS 9 1HD LYS 9 2.455 7.957 -4.758
43 HD3 LYS 9 2HD LYS 9 3.408 6.591 -5.341
44 HE2 LYS 9 1HE LYS 9 1.560 5.084 -4.621
45 HE3 LYS 9 2HE LYS 9 0.607 6.514 -4.227
46 HZ1 LYS 9 3HZ LYS 9 1.078 5.300 -6.765
47 HZ2 LYS 9 1HZ LYS 9 1.478 6.944 -6.784
48 HZ3 LYS 9 2HZ LYS 9 -0.075 6.457 -6.325
49 HA PRO 10 HA PRO 10 8.126 2.659 -2.006
50 HB2 PRO 10 1HB PRO 10 8.475 3.394 0.584
51 HB3 PRO 10 2HB PRO 10 9.326 4.169 -0.757
52 HG2 PRO 10 1HG PRO 10 6.888 5.083 0.721
53 HG3 PRO 10 2HG PRO 10 8.297 6.024 0.196
54 HD2 PRO 10 1HD PRO 10 5.953 6.030 -1.160
55 HD3 PRO 10 2HD PRO 10 7.524 6.210 -1.967
56 H TYR 11 H TYR 11 5.538 3.716 0.209
57 HA TYR 11 HA TYR 11 5.260 1.099 1.357
58 HB2 TYR 11 1HB TYR 11 3.335 3.414 1.597
59 HB3 TYR 11 2HB TYR 11 3.513 2.049 2.695
60 HD1 TYR 11 HD2 TYR 11 4.934 5.250 1.617
61 HD2 TYR 11 HD1 TYR 11 5.334 1.968 4.295
62 HE1 TYR 11 HE2 TYR 11 6.532 6.549 2.961
63 HE2 TYR 11 HE1 TYR 11 6.933 3.258 5.647
64 HH TYR 11 HH TYR 11 7.582 5.519 6.071
65 H VAL 12 H VAL 12 3.926 -0.499 0.770
66 HA VAL 12 HA VAL 12 1.653 0.052 -0.974
67 HB VAL 12 HB VAL 12 3.851 -1.885 -1.708
68 HG11 VAL 12 1HG1 VAL 12 1.987 -3.068 -2.351
69 HG12 VAL 12 2HG1 VAL 12 1.034 -1.614 -2.651
70 HG13 VAL 12 3HG1 VAL 12 2.286 -2.100 -3.794
71 HG21 VAL 12 3HG2 VAL 12 4.280 -0.522 -3.566
72 HG22 VAL 12 1HG2 VAL 12 2.767 0.363 -3.376
73 HG23 VAL 12 2HG2 VAL 12 4.083 0.609 -2.228
74 H CYS 13 H CYS 13 -0.017 -0.868 0.001
75 HA CYS 13 HA CYS 13 0.060 -2.691 2.073
76 HB2 CYS 13 1HB CYS 13 -1.953 -1.474 1.688
77 HB3 CYS 13 2HB CYS 13 -2.103 -2.107 0.052
78 H SER 14 H SER 14 -0.704 -4.936 2.136
79 HA SER 14 HA SER 14 0.298 -6.445 -0.185
80 HB2 SER 14 1HB SER 14 1.545 -6.735 1.965
81 HB3 SER 14 2HB SER 14 0.075 -7.398 2.680
82 HG SER 14 HG SER 14 1.673 -8.931 1.759
83 H ASP 15 H ASP 15 -2.330 -6.108 2.104
84 HA ASP 15 HA ASP 15 -3.796 -8.402 1.556
85 HB2 ASP 15 1HB ASP 15 -4.779 -5.622 2.231
86 HB3 ASP 15 2HB ASP 15 -5.786 -7.067 2.257
87 H CYS 16 H CYS 16 -4.299 -5.180 0.102
88 HA CYS 16 HA CYS 16 -5.597 -6.503 -2.180
89 HB2 CYS 16 1HB CYS 16 -6.602 -4.313 -2.665
90 HB3 CYS 16 2HB CYS 16 -6.981 -4.843 -1.029
91 H GLY 17 H GLY 17 -3.165 -4.079 -1.324
92 HA2 GLY 17 1HA GLY 17 -1.078 -4.115 -2.598
93 HA3 GLY 17 2HA GLY 17 -2.045 -4.402 -4.038
94 H LYS 18 H LYS 18 -3.048 -2.110 -1.615
95 HA LYS 18 HA LYS 18 -3.021 0.009 -3.569
96 HB2 LYS 18 1HB LYS 18 -4.726 -0.489 -1.612
97 HB3 LYS 18 2HB LYS 18 -3.608 0.499 -0.681
98 HG2 LYS 18 1HG LYS 18 -4.133 2.407 -1.807
99 HG3 LYS 18 2HG LYS 18 -4.546 1.550 -3.293
100 HD2 LYS 18 1HD LYS 18 -6.245 1.144 -0.877
101 HD3 LYS 18 2HD LYS 18 -6.411 2.644 -1.793
102 HE2 LYS 18 1HE LYS 18 -6.505 0.964 -3.832
103 HE3 LYS 18 2HE LYS 18 -7.046 -0.154 -2.582
104 HZ1 LYS 18 3HZ LYS 18 -8.385 2.353 -2.396
105 HZ2 LYS 18 1HZ LYS 18 -9.035 0.798 -2.543
106 HZ3 LYS 18 2HZ LYS 18 -8.593 1.664 -3.927
107 H ALA 19 H ALA 19 -1.497 1.505 -3.843
108 HA ALA 19 HA ALA 19 0.864 1.445 -2.172
109 HB1 ALA 19 3HB ALA 19 0.724 1.701 -4.760
110 HB2 ALA 19 1HB ALA 19 0.475 3.407 -4.390
111 HB3 ALA 19 2HB ALA 19 1.946 2.594 -3.854
112 H PHE 20 H PHE 20 1.770 3.294 -1.140
113 HA PHE 20 HA PHE 20 0.071 5.620 -0.758
114 HB2 PHE 20 1HB PHE 20 0.955 3.926 1.587
115 HB3 PHE 20 2HB PHE 20 0.077 5.449 1.681
116 HD1 PHE 20 HD2 PHE 20 -0.148 1.887 0.906
117 HD2 PHE 20 HD1 PHE 20 -2.275 5.566 1.144
118 HE1 PHE 20 HE2 PHE 20 -2.278 0.658 0.806
119 HE2 PHE 20 HE1 PHE 20 -4.408 4.343 1.044
120 HZ PHE 20 HZ PHE 20 -4.411 1.886 0.874
121 H THR 21 H THR 21 1.236 7.432 -0.514
122 HA THR 21 HA THR 21 4.049 7.368 -0.820
123 HB THR 21 HB THR 21 2.296 9.693 0.001
124 HG1 THR 21 HG1 THR 21 2.796 10.104 -2.400
125 HG21 THR 21 3HG2 THR 21 4.756 9.943 0.444
126 HG22 THR 21 1HG2 THR 21 4.087 11.120 -0.686
127 HG23 THR 21 2HG2 THR 21 5.023 9.751 -1.288
128 H PHE 22 H PHE 22 1.949 8.065 1.949
129 HA PHE 22 HA PHE 22 4.324 8.093 3.682
130 HB2 PHE 22 1HB PHE 22 1.544 9.017 4.413
131 HB3 PHE 22 2HB PHE 22 3.042 9.328 5.283
132 HD1 PHE 22 HD1 PHE 22 4.891 10.548 3.800
133 HD2 PHE 22 HD2 PHE 22 0.691 10.713 3.134
134 HE1 PHE 22 HE1 PHE 22 5.174 12.657 2.565
135 HE2 PHE 22 HE2 PHE 22 0.967 12.821 1.896
136 HZ PHE 22 HZ PHE 22 3.210 13.796 1.610
137 H LYS 23 H LYS 23 4.339 6.881 5.611
138 HA LYS 23 HA LYS 23 3.207 4.300 5.400
139 HB2 LYS 23 1HB LYS 23 5.313 4.660 6.555
140 HB3 LYS 23 2HB LYS 23 4.521 5.686 7.744
141 HG2 LYS 23 1HG LYS 23 4.711 3.700 8.881
142 HG3 LYS 23 2HG LYS 23 3.080 3.577 8.217
143 HD2 LYS 23 1HD LYS 23 3.942 2.234 6.358
144 HD3 LYS 23 2HD LYS 23 5.571 2.357 7.025
145 HE2 LYS 23 1HE LYS 23 3.264 1.200 8.570
146 HE3 LYS 23 2HE LYS 23 4.292 0.222 7.523
147 HZ1 LYS 23 3HZ LYS 23 6.018 1.667 9.101
148 HZ2 LYS 23 1HZ LYS 23 5.649 0.022 9.248
149 HZ3 LYS 23 2HZ LYS 23 4.795 1.164 10.156
150 H SER 24 H SER 24 2.542 6.958 7.682
151 HA SER 24 HA SER 24 0.598 5.908 9.239
152 HB2 SER 24 1HB SER 24 -0.420 8.187 9.337
153 HB3 SER 24 2HB SER 24 1.334 8.199 9.527
154 HG SER 24 HG SER 24 1.261 8.549 7.108
155 H GLN 25 H GLN 25 0.110 7.214 5.975
156 HA GLN 25 HA GLN 25 -2.655 6.893 5.826
157 HB2 GLN 25 1HB GLN 25 -0.487 6.904 3.745
158 HB3 GLN 25 2HB GLN 25 -2.169 6.653 3.299
159 HG2 GLN 25 1HG GLN 25 -1.403 9.007 4.965
160 HG3 GLN 25 2HG GLN 25 -1.147 9.033 3.221
161 HE21 GLN 25 1HE2 GLN 25 -2.706 10.068 2.225
162 HE22 GLN 25 2HE2 GLN 25 -4.385 10.028 2.628
163 H LEU 26 H LEU 26 -0.057 4.633 4.972
164 HA LEU 26 HA LEU 26 -1.719 2.574 4.009
165 HB2 LEU 26 1HB LEU 26 0.601 2.550 3.477
166 HB3 LEU 26 2HB LEU 26 1.052 2.547 5.181
167 HG LEU 26 HG LEU 26 0.070 0.261 5.364
168 HD11 LEU 26 1HD1 LEU 26 -0.101 0.492 2.364
169 HD12 LEU 26 2HD1 LEU 26 -1.459 0.356 3.480
170 HD13 LEU 26 3HD1 LEU 26 -0.332 -0.988 3.295
171 HD21 LEU 26 3HD2 LEU 26 2.073 -0.640 4.889
172 HD22 LEU 26 1HD2 LEU 26 2.538 1.027 4.550
173 HD23 LEU 26 2HD2 LEU 26 2.064 -0.042 3.229
174 H ILE 27 H ILE 27 -0.095 2.894 7.170
175 HA ILE 27 HA ILE 27 -0.978 0.699 8.480
176 HB ILE 27 HB ILE 27 -0.918 3.489 9.636
177 HG12 ILE 27 1HG1 ILE 27 1.210 1.350 9.770
178 HG13 ILE 27 2HG1 ILE 27 1.194 2.609 8.540
179 HG21 ILE 27 1HG2 ILE 27 -2.023 1.315 10.813
180 HG22 ILE 27 2HG2 ILE 27 -0.351 1.178 11.357
181 HG23 ILE 27 3HG2 ILE 27 -1.269 2.646 11.691
182 HD11 ILE 27 3HD1 ILE 27 1.276 4.298 10.350
183 HD12 ILE 27 1HD1 ILE 27 1.447 2.983 11.512
184 HD13 ILE 27 2HD1 ILE 27 2.690 3.247 10.289
185 H VAL 28 H VAL 28 -2.815 3.736 8.190
186 HA VAL 28 HA VAL 28 -5.112 2.813 9.546
187 HB VAL 28 HB VAL 28 -4.902 4.995 7.466
188 HG11 VAL 28 1HG1 VAL 28 -7.186 3.853 8.518
189 HG12 VAL 28 2HG1 VAL 28 -6.938 5.286 9.517
190 HG13 VAL 28 3HG1 VAL 28 -7.066 5.443 7.765
191 HG21 VAL 28 3HG2 VAL 28 -5.057 6.348 9.732
192 HG22 VAL 28 1HG2 VAL 28 -4.326 4.880 10.381
193 HG23 VAL 28 2HG2 VAL 28 -3.510 5.780 9.102
194 H HIS 29 H HIS 29 -4.209 2.844 6.128
195 HA HIS 29 HA HIS 29 -6.667 2.004 5.070
196 HB2 HIS 29 1HB HIS 29 -5.217 2.775 3.442
197 HB3 HIS 29 2HB HIS 29 -3.832 1.927 4.124
198 HD1 HIS 29 HD1 HIS 29 -6.783 1.423 1.873
199 HD2 HIS 29 HD2 HIS 29 -3.458 -0.679 3.208
200 HE1 HIS 29 HE1 HIS 29 -6.648 -0.619 0.412
201 H GLN 30 H GLN 30 -3.744 0.023 5.597
202 HA GLN 30 HA GLN 30 -4.602 -2.453 5.038
203 HB2 GLN 30 1HB GLN 30 -3.019 -1.633 7.477
204 HB3 GLN 30 2HB GLN 30 -3.185 -3.295 6.925
205 HG2 GLN 30 1HG GLN 30 -2.265 -2.378 4.685
206 HG3 GLN 30 2HG GLN 30 -1.710 -1.025 5.669
207 HE21 GLN 30 1HE2 GLN 30 0.109 -2.529 4.354
208 HE22 GLN 30 2HE2 GLN 30 1.013 -3.492 5.468
209 H GLY 31 H GLY 31 -5.726 -0.495 7.683
210 HA2 GLY 31 1HA GLY 31 -6.878 -2.444 9.320
211 HA3 GLY 31 2HA GLY 31 -7.440 -0.785 9.180
212 H ILE 32 H ILE 32 -8.293 -0.701 6.565
213 HA ILE 32 HA ILE 32 -10.877 -1.458 6.603
214 HB ILE 32 HB ILE 32 -10.943 -1.380 4.207
215 HG12 ILE 32 1HG1 ILE 32 -7.972 -1.313 3.944
216 HG13 ILE 32 2HG1 ILE 32 -8.748 -2.880 4.152
217 HG21 ILE 32 1HG2 ILE 32 -10.002 0.751 3.817
218 HG22 ILE 32 2HG2 ILE 32 -10.403 0.703 5.532
219 HG23 ILE 32 3HG2 ILE 32 -8.731 0.491 5.012
220 HD11 ILE 32 3HD1 ILE 32 -9.834 -1.043 2.091
221 HD12 ILE 32 1HD1 ILE 32 -8.303 -1.859 1.771
222 HD13 ILE 32 2HD1 ILE 32 -9.752 -2.805 2.112
223 H HIS 33 H HIS 33 -8.165 -3.566 6.193
224 HA HIS 33 HA HIS 33 -9.820 -5.794 5.312
225 HB2 HIS 33 1HB HIS 33 -6.873 -5.803 5.986
226 HB3 HIS 33 2HB HIS 33 -7.761 -7.026 5.081
227 HD1 HIS 33 HD1 HIS 33 -9.010 -5.804 2.826
228 HD2 HIS 33 HD2 HIS 33 -5.472 -4.220 4.322
229 HE1 HIS 33 HE1 HIS 33 -8.029 -4.454 0.945
230 H THR 34 H THR 34 -10.677 -4.916 7.738
231 HA THR 34 HA THR 34 -9.732 -7.022 9.571
232 HB THR 34 HB THR 34 -10.547 -5.462 11.426
233 HG1 THR 34 HG1 THR 34 -10.218 -3.160 10.572
234 HG21 THR 34 3HG2 THR 34 -8.076 -5.672 10.096
235 HG22 THR 34 1HG2 THR 34 -8.368 -5.124 11.746
236 HG23 THR 34 2HG2 THR 34 -8.316 -3.957 10.425
237 H GLY 35 H GLY 35 -11.287 -8.543 9.183
238 HA2 GLY 35 1HA GLY 35 -13.328 -9.459 9.987
239 HA3 GLY 35 2HA GLY 35 -13.994 -7.835 10.065
240 H VAL 36 H VAL 36 -15.731 -7.875 8.779
241 HA VAL 36 HA VAL 36 -15.315 -8.633 5.971
242 HB VAL 36 HB VAL 36 -17.715 -9.404 7.636
243 HG11 VAL 36 1HG1 VAL 36 -18.883 -9.793 5.771
244 HG12 VAL 36 2HG1 VAL 36 -17.697 -8.767 4.962
245 HG13 VAL 36 3HG1 VAL 36 -17.500 -10.521 4.954
246 HG21 VAL 36 3HG2 VAL 36 -16.617 -11.640 6.370
247 HG22 VAL 36 1HG2 VAL 36 -15.243 -10.746 7.020
248 HG23 VAL 36 2HG2 VAL 36 -16.553 -11.247 8.088
249 H SER 37 H SER 37 -15.196 -6.454 5.401
250 HA SER 37 HA SER 37 -17.573 -4.814 5.925
251 HB2 SER 37 1HB SER 37 -15.412 -3.806 6.526
252 HB3 SER 37 2HB SER 37 -14.853 -4.006 4.865
253 HG SER 37 HG SER 37 -16.848 -2.699 4.369
254 H GLY 38 H GLY 38 -18.884 -5.919 4.374
255 HA2 GLY 38 1HA GLY 38 -18.732 -4.727 1.764
256 HA3 GLY 38 2HA GLY 38 -18.380 -6.449 1.742
257 HA PRO 39 HA PRO 39 -22.996 -5.787 3.142
258 HB2 PRO 39 1HB PRO 39 -24.078 -3.437 2.321
259 HB3 PRO 39 2HB PRO 39 -23.309 -3.641 3.899
260 HG2 PRO 39 1HG PRO 39 -22.194 -2.452 1.388
261 HG3 PRO 39 2HG PRO 39 -22.048 -1.877 3.059
262 HD2 PRO 39 1HD PRO 39 -20.071 -3.243 1.812
263 HD3 PRO 39 2HD PRO 39 -20.362 -3.366 3.559
264 H SER 40 H SER 40 -21.426 -5.171 0.211
265 HA SER 40 HA SER 40 -23.656 -5.175 -1.553
266 HB2 SER 40 1HB SER 40 -20.700 -5.554 -1.873
267 HB3 SER 40 2HB SER 40 -21.774 -5.944 -3.217
268 HG SER 40 HG SER 40 -22.022 -3.892 -3.567
269 H SER 41 H SER 41 -23.921 -6.925 -3.243
270 HA SER 41 HA SER 41 -24.194 -9.475 -1.855
271 HB2 SER 41 1HB SER 41 -25.578 -10.097 -3.857
272 HB3 SER 41 2HB SER 41 -26.183 -8.698 -2.970
273 HG SER 41 HG SER 41 -26.079 -7.709 -4.813
274 H GLY 42 H GLY 42 -22.746 -11.036 -2.093
275 HA2 GLY 42 1HA GLY 42 -21.287 -11.217 -4.651
276 HA3 GLY 42 2HA GLY 42 -20.435 -11.328 -3.118
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -2.392 -1.715 -22.688
2 HA2 GLY 1 1HA GLY 1 0.078 -2.057 -21.100
3 HA3 GLY 1 2HA GLY 1 -0.542 -0.472 -21.539
4 H SER 2 H SER 2 -0.222 -0.494 -19.039
5 HA SER 2 HA SER 2 -2.888 -0.803 -17.903
6 HB2 SER 2 1HB SER 2 -0.472 -2.314 -17.011
7 HB3 SER 2 2HB SER 2 -1.598 -1.742 -15.781
8 HG SER 2 HG SER 2 -2.679 -3.024 -18.003
9 H SER 3 H SER 3 -3.409 0.835 -16.582
10 HA SER 3 HA SER 3 -2.058 3.192 -16.455
11 HB2 SER 3 1HB SER 3 -4.049 1.936 -14.595
12 HB3 SER 3 2HB SER 3 -3.330 3.493 -14.185
13 HG SER 3 HG SER 3 -5.230 2.888 -16.045
14 H GLY 4 H GLY 4 -1.015 4.293 -14.596
15 HA2 GLY 4 1HA GLY 4 0.139 3.917 -12.428
16 HA3 GLY 4 2HA GLY 4 0.735 2.418 -13.126
17 H SER 5 H SER 5 2.830 3.352 -12.452
18 HA SER 5 HA SER 5 4.850 4.259 -12.974
19 HB2 SER 5 1HB SER 5 3.523 4.241 -15.673
20 HB3 SER 5 2HB SER 5 5.133 4.927 -15.463
21 HG SER 5 HG SER 5 5.675 2.843 -14.474
22 H SER 6 H SER 6 3.010 5.938 -11.756
23 HA SER 6 HA SER 6 3.634 8.536 -13.001
24 HB2 SER 6 1HB SER 6 1.572 9.411 -11.935
25 HB3 SER 6 2HB SER 6 1.232 8.120 -13.087
26 HG SER 6 HG SER 6 0.184 8.051 -10.913
27 H GLY 7 H GLY 7 2.804 7.060 -9.858
28 HA2 GLY 7 1HA GLY 7 4.603 9.016 -8.579
29 HA3 GLY 7 2HA GLY 7 3.257 8.220 -7.778
30 H GLU 8 H GLU 8 3.718 5.583 -8.585
31 HA GLU 8 HA GLU 8 4.855 3.718 -7.949
32 HB2 GLU 8 1HB GLU 8 7.076 5.628 -8.571
33 HB3 GLU 8 2HB GLU 8 7.453 4.069 -7.853
34 HG2 GLU 8 1HG GLU 8 6.297 2.955 -9.713
35 HG3 GLU 8 2HG GLU 8 5.991 4.530 -10.443
36 H LYS 9 H LYS 9 3.726 5.217 -5.903
37 HA LYS 9 HA LYS 9 5.178 6.033 -3.767
38 HB2 LYS 9 1HB LYS 9 2.784 4.194 -3.594
39 HB3 LYS 9 2HB LYS 9 3.362 5.266 -2.326
40 HG2 LYS 9 1HG LYS 9 2.848 7.202 -3.712
41 HG3 LYS 9 2HG LYS 9 2.292 6.136 -5.004
42 HD2 LYS 9 1HD LYS 9 0.545 5.263 -3.518
43 HD3 LYS 9 2HD LYS 9 1.098 6.346 -2.238
44 HE2 LYS 9 1HE LYS 9 0.728 8.182 -4.082
45 HE3 LYS 9 2HE LYS 9 -0.352 6.969 -4.768
46 HZ1 LYS 9 3HZ LYS 9 -1.755 7.071 -2.965
47 HZ2 LYS 9 1HZ LYS 9 -1.269 8.686 -3.094
48 HZ3 LYS 9 2HZ LYS 9 -0.573 7.685 -1.922
49 HA PRO 10 HA PRO 10 7.713 2.684 -2.445
50 HB2 PRO 10 1HB PRO 10 8.133 3.457 0.123
51 HB3 PRO 10 2HB PRO 10 8.901 4.251 -1.257
52 HG2 PRO 10 1HG PRO 10 6.489 5.086 0.307
53 HG3 PRO 10 2HG PRO 10 7.839 6.074 -0.280
54 HD2 PRO 10 1HD PRO 10 5.447 5.978 -1.545
55 HD3 PRO 10 2HD PRO 10 6.978 6.209 -2.414
56 H TYR 11 H TYR 11 5.273 3.668 -0.029
57 HA TYR 11 HA TYR 11 5.113 1.062 1.123
58 HB2 TYR 11 1HB TYR 11 3.148 3.346 1.384
59 HB3 TYR 11 2HB TYR 11 3.305 1.964 2.464
60 HD1 TYR 11 HD2 TYR 11 4.816 5.139 1.404
61 HD2 TYR 11 HD1 TYR 11 5.069 1.863 4.107
62 HE1 TYR 11 HE2 TYR 11 6.422 6.401 2.774
63 HE2 TYR 11 HE1 TYR 11 6.675 3.116 5.484
64 HH TYR 11 HH TYR 11 7.462 6.476 4.790
65 H VAL 12 H VAL 12 3.805 -0.601 0.651
66 HA VAL 12 HA VAL 12 1.522 -0.172 -1.135
67 HB VAL 12 HB VAL 12 3.650 -2.265 -1.603
68 HG11 VAL 12 1HG1 VAL 12 1.499 -1.847 -3.572
69 HG12 VAL 12 2HG1 VAL 12 2.289 -3.335 -3.050
70 HG13 VAL 12 3HG1 VAL 12 1.018 -2.617 -2.061
71 HG21 VAL 12 3HG2 VAL 12 3.162 -0.696 -3.895
72 HG22 VAL 12 1HG2 VAL 12 3.359 0.417 -2.541
73 HG23 VAL 12 2HG2 VAL 12 4.624 -0.756 -2.910
74 H CYS 13 H CYS 13 -0.138 -0.839 0.063
75 HA CYS 13 HA CYS 13 -0.167 -2.451 2.259
76 HB2 CYS 13 1HB CYS 13 -2.146 -1.255 1.664
77 HB3 CYS 13 2HB CYS 13 -2.273 -2.102 0.126
78 H SER 14 H SER 14 0.362 -4.491 2.632
79 HA SER 14 HA SER 14 0.738 -6.325 0.421
80 HB2 SER 14 1HB SER 14 2.403 -6.181 2.252
81 HB3 SER 14 2HB SER 14 1.182 -6.758 3.386
82 HG SER 14 HG SER 14 2.184 -8.578 2.802
83 H ASP 15 H ASP 15 -1.973 -5.511 1.048
84 HA ASP 15 HA ASP 15 -3.101 -8.137 1.766
85 HB2 ASP 15 1HB ASP 15 -3.476 -6.080 3.347
86 HB3 ASP 15 2HB ASP 15 -4.660 -5.605 2.133
87 H CYS 16 H CYS 16 -3.769 -5.130 -0.020
88 HA CYS 16 HA CYS 16 -5.267 -6.739 -1.982
89 HB2 CYS 16 1HB CYS 16 -6.525 -4.699 -2.522
90 HB3 CYS 16 2HB CYS 16 -6.691 -5.119 -0.820
91 H GLY 17 H GLY 17 -3.101 -3.952 -1.597
92 HA2 GLY 17 1HA GLY 17 -1.116 -4.073 -3.132
93 HA3 GLY 17 2HA GLY 17 -2.291 -4.318 -4.415
94 H LYS 18 H LYS 18 -2.812 -2.099 -1.762
95 HA LYS 18 HA LYS 18 -2.946 0.096 -3.680
96 HB2 LYS 18 1HB LYS 18 -4.703 -0.492 -1.825
97 HB3 LYS 18 2HB LYS 18 -3.599 0.382 -0.771
98 HG2 LYS 18 1HG LYS 18 -3.879 2.390 -1.984
99 HG3 LYS 18 2HG LYS 18 -4.697 1.558 -3.308
100 HD2 LYS 18 1HD LYS 18 -5.817 1.555 -0.523
101 HD3 LYS 18 2HD LYS 18 -6.135 2.882 -1.642
102 HE2 LYS 18 1HE LYS 18 -6.781 0.906 -3.262
103 HE3 LYS 18 2HE LYS 18 -7.029 0.041 -1.746
104 HZ1 LYS 18 3HZ LYS 18 -9.039 0.967 -1.761
105 HZ2 LYS 18 1HZ LYS 18 -8.628 2.087 -2.961
106 HZ3 LYS 18 2HZ LYS 18 -8.278 2.419 -1.340
107 H ALA 19 H ALA 19 -1.381 1.551 -3.890
108 HA ALA 19 HA ALA 19 0.880 1.487 -2.065
109 HB1 ALA 19 3HB ALA 19 2.119 2.278 -3.769
110 HB2 ALA 19 1HB ALA 19 0.751 1.752 -4.752
111 HB3 ALA 19 2HB ALA 19 0.889 3.441 -4.263
112 H PHE 20 H PHE 20 1.640 3.244 -0.888
113 HA PHE 20 HA PHE 20 -0.058 5.629 -0.773
114 HB2 PHE 20 1HB PHE 20 0.799 4.021 1.643
115 HB3 PHE 20 2HB PHE 20 -0.027 5.575 1.696
116 HD1 PHE 20 HD2 PHE 20 -0.372 2.007 0.959
117 HD2 PHE 20 HD1 PHE 20 -2.374 5.755 1.207
118 HE1 PHE 20 HE2 PHE 20 -2.542 0.849 0.887
119 HE2 PHE 20 HE1 PHE 20 -4.547 4.603 1.137
120 HZ PHE 20 HZ PHE 20 -4.633 2.147 0.975
121 H THR 21 H THR 21 1.030 7.500 -0.468
122 HA THR 21 HA THR 21 3.830 7.546 -0.837
123 HB THR 21 HB THR 21 2.072 9.805 0.139
124 HG1 THR 21 HG1 THR 21 2.805 9.079 -2.522
125 HG21 THR 21 3HG2 THR 21 3.775 11.268 -0.734
126 HG22 THR 21 1HG2 THR 21 4.693 9.897 -1.356
127 HG23 THR 21 2HG2 THR 21 4.530 10.132 0.384
128 H PHE 22 H PHE 22 1.793 8.126 2.008
129 HA PHE 22 HA PHE 22 4.202 8.259 3.676
130 HB2 PHE 22 1HB PHE 22 1.364 8.827 4.534
131 HB3 PHE 22 2HB PHE 22 2.850 9.272 5.368
132 HD1 PHE 22 HD1 PHE 22 4.338 11.011 4.359
133 HD2 PHE 22 HD2 PHE 22 0.424 10.214 2.887
134 HE1 PHE 22 HE1 PHE 22 4.329 13.188 3.213
135 HE2 PHE 22 HE2 PHE 22 0.409 12.389 1.739
136 HZ PHE 22 HZ PHE 22 2.363 13.880 1.900
137 H LYS 23 H LYS 23 4.221 7.089 5.717
138 HA LYS 23 HA LYS 23 3.362 4.369 5.358
139 HB2 LYS 23 1HB LYS 23 5.554 4.972 6.364
140 HB3 LYS 23 2HB LYS 23 4.703 5.652 7.745
141 HG2 LYS 23 1HG LYS 23 3.636 3.260 7.867
142 HG3 LYS 23 2HG LYS 23 5.082 2.808 6.960
143 HD2 LYS 23 1HD LYS 23 6.513 3.466 8.684
144 HD3 LYS 23 2HD LYS 23 5.275 4.460 9.456
145 HE2 LYS 23 1HE LYS 23 4.015 2.239 9.796
146 HE3 LYS 23 2HE LYS 23 5.565 1.474 9.448
147 HZ1 LYS 23 3HZ LYS 23 6.544 2.709 11.280
148 HZ2 LYS 23 1HZ LYS 23 5.242 1.774 11.820
149 HZ3 LYS 23 2HZ LYS 23 5.057 3.443 11.613
150 H SER 24 H SER 24 2.522 7.050 7.502
151 HA SER 24 HA SER 24 0.816 5.692 9.240
152 HB2 SER 24 1HB SER 24 -0.297 7.987 9.489
153 HB3 SER 24 2HB SER 24 1.428 7.898 9.841
154 HG SER 24 HG SER 24 0.694 8.484 7.221
155 H GLN 25 H GLN 25 0.295 6.889 5.999
156 HA GLN 25 HA GLN 25 -2.529 6.742 5.984
157 HB2 GLN 25 1HB GLN 25 -0.422 6.794 3.850
158 HB3 GLN 25 2HB GLN 25 -2.103 6.501 3.424
159 HG2 GLN 25 1HG GLN 25 -1.203 8.890 5.007
160 HG3 GLN 25 2HG GLN 25 -1.317 8.879 3.247
161 HE21 GLN 25 1HE2 GLN 25 -2.756 10.677 4.690
162 HE22 GLN 25 2HE2 GLN 25 -4.437 10.285 4.619
163 H LEU 26 H LEU 26 -0.007 4.441 5.023
164 HA LEU 26 HA LEU 26 -1.724 2.436 4.054
165 HB2 LEU 26 1HB LEU 26 0.592 2.362 3.507
166 HB3 LEU 26 2HB LEU 26 1.053 2.324 5.208
167 HG LEU 26 HG LEU 26 0.051 0.061 5.379
168 HD11 LEU 26 1HD1 LEU 26 0.024 -0.218 2.436
169 HD12 LEU 26 2HD1 LEU 26 -1.333 0.635 3.169
170 HD13 LEU 26 3HD1 LEU 26 -0.959 -1.015 3.664
171 HD21 LEU 26 3HD2 LEU 26 1.818 -0.797 3.460
172 HD22 LEU 26 1HD2 LEU 26 2.226 -0.380 5.125
173 HD23 LEU 26 2HD2 LEU 26 2.412 0.819 3.845
174 H ILE 27 H ILE 27 -0.158 2.784 7.235
175 HA ILE 27 HA ILE 27 -1.048 0.557 8.522
176 HB ILE 27 HB ILE 27 -0.968 3.336 9.703
177 HG12 ILE 27 1HG1 ILE 27 1.174 1.238 9.939
178 HG13 ILE 27 2HG1 ILE 27 1.128 2.327 8.557
179 HG21 ILE 27 1HG2 ILE 27 -0.531 0.828 11.261
180 HG22 ILE 27 2HG2 ILE 27 -1.063 2.416 11.813
181 HG23 ILE 27 3HG2 ILE 27 -2.175 1.373 10.926
182 HD11 ILE 27 3HD1 ILE 27 0.916 4.085 10.600
183 HD12 ILE 27 1HD1 ILE 27 1.914 2.829 11.332
184 HD13 ILE 27 2HD1 ILE 27 2.434 3.610 9.838
185 H VAL 28 H VAL 28 -2.854 3.594 8.136
186 HA VAL 28 HA VAL 28 -5.161 2.749 9.530
187 HB VAL 28 HB VAL 28 -4.904 4.849 7.372
188 HG11 VAL 28 1HG1 VAL 28 -6.979 5.770 8.324
189 HG12 VAL 28 2HG1 VAL 28 -7.214 4.162 7.636
190 HG13 VAL 28 3HG1 VAL 28 -7.098 4.366 9.385
191 HG21 VAL 28 3HG2 VAL 28 -4.374 4.820 10.290
192 HG22 VAL 28 1HG2 VAL 28 -3.573 5.718 9.000
193 HG23 VAL 28 2HG2 VAL 28 -5.135 6.260 9.615
194 H HIS 29 H HIS 29 -4.363 2.790 6.069
195 HA HIS 29 HA HIS 29 -6.801 1.851 5.090
196 HB2 HIS 29 1HB HIS 29 -5.320 2.673 3.472
197 HB3 HIS 29 2HB HIS 29 -3.980 1.698 4.067
198 HD1 HIS 29 HD1 HIS 29 -6.925 1.591 1.800
199 HD2 HIS 29 HD2 HIS 29 -3.956 -0.977 3.162
200 HE1 HIS 29 HE1 HIS 29 -7.030 -0.419 0.291
201 H GLN 30 H GLN 30 -3.831 -0.076 5.559
202 HA GLN 30 HA GLN 30 -4.621 -2.570 5.062
203 HB2 GLN 30 1HB GLN 30 -3.063 -1.637 7.472
204 HB3 GLN 30 2HB GLN 30 -3.231 -3.332 7.034
205 HG2 GLN 30 1HG GLN 30 -2.325 -2.528 4.725
206 HG3 GLN 30 2HG GLN 30 -1.725 -1.160 5.662
207 HE21 GLN 30 1HE2 GLN 30 -0.046 -2.916 4.330
208 HE22 GLN 30 2HE2 GLN 30 0.870 -3.807 5.493
209 H GLY 31 H GLY 31 -5.725 -0.650 7.774
210 HA2 GLY 31 1HA GLY 31 -6.878 -2.589 9.385
211 HA3 GLY 31 2HA GLY 31 -7.487 -0.949 9.216
212 H ILE 32 H ILE 32 -8.365 -0.885 6.638
213 HA ILE 32 HA ILE 32 -10.911 -1.758 6.673
214 HB ILE 32 HB ILE 32 -10.992 -1.651 4.280
215 HG12 ILE 32 1HG1 ILE 32 -8.030 -1.447 3.999
216 HG13 ILE 32 2HG1 ILE 32 -8.728 -3.050 4.200
217 HG21 ILE 32 1HG2 ILE 32 -10.032 0.515 3.884
218 HG22 ILE 32 2HG2 ILE 32 -10.618 0.450 5.545
219 HG23 ILE 32 3HG2 ILE 32 -8.893 0.299 5.214
220 HD11 ILE 32 3HD1 ILE 32 -10.331 -2.125 2.278
221 HD12 ILE 32 1HD1 ILE 32 -8.884 -1.181 1.926
222 HD13 ILE 32 2HD1 ILE 32 -8.803 -2.943 1.951
223 H HIS 33 H HIS 33 -8.110 -3.738 6.224
224 HA HIS 33 HA HIS 33 -9.678 -6.027 5.336
225 HB2 HIS 33 1HB HIS 33 -6.714 -5.821 5.904
226 HB3 HIS 33 2HB HIS 33 -7.531 -7.176 5.129
227 HD1 HIS 33 HD1 HIS 33 -8.877 -6.365 2.816
228 HD2 HIS 33 HD2 HIS 33 -5.645 -4.103 4.120
229 HE1 HIS 33 HE1 HIS 33 -8.135 -5.036 0.814
230 H THR 34 H THR 34 -10.597 -5.310 7.740
231 HA THR 34 HA THR 34 -9.420 -7.289 9.583
232 HB THR 34 HB THR 34 -10.324 -5.915 11.451
233 HG1 THR 34 HG1 THR 34 -11.165 -4.356 9.284
234 HG21 THR 34 3HG2 THR 34 -8.131 -5.393 11.378
235 HG22 THR 34 1HG2 THR 34 -8.704 -3.849 10.748
236 HG23 THR 34 2HG2 THR 34 -8.155 -5.105 9.638
237 H GLY 35 H GLY 35 -12.425 -5.662 8.603
238 HA2 GLY 35 1HA GLY 35 -13.867 -8.133 9.321
239 HA3 GLY 35 2HA GLY 35 -14.491 -6.561 9.800
240 H VAL 36 H VAL 36 -16.418 -7.130 8.622
241 HA VAL 36 HA VAL 36 -17.805 -7.102 6.814
242 HB VAL 36 HB VAL 36 -15.681 -5.366 5.554
243 HG11 VAL 36 1HG1 VAL 36 -18.563 -4.897 5.114
244 HG12 VAL 36 2HG1 VAL 36 -17.204 -4.763 3.995
245 HG13 VAL 36 3HG1 VAL 36 -17.883 -6.346 4.373
246 HG21 VAL 36 3HG2 VAL 36 -17.959 -4.078 6.885
247 HG22 VAL 36 1HG2 VAL 36 -16.821 -4.876 7.970
248 HG23 VAL 36 2HG2 VAL 36 -16.254 -3.628 6.861
249 H SER 37 H SER 37 -16.559 -9.422 6.834
250 HA SER 37 HA SER 37 -14.942 -10.032 4.602
251 HB2 SER 37 1HB SER 37 -16.761 -11.902 6.137
252 HB3 SER 37 2HB SER 37 -15.386 -12.364 5.134
253 HG SER 37 HG SER 37 -14.295 -10.755 6.736
254 H GLY 38 H GLY 38 -15.447 -10.201 2.523
255 HA2 GLY 38 1HA GLY 38 -18.297 -10.492 1.810
256 HA3 GLY 38 2HA GLY 38 -17.108 -9.647 0.830
257 HA PRO 39 HA PRO 39 -16.682 -13.305 -1.565
258 HB2 PRO 39 1HB PRO 39 -14.240 -12.836 -2.654
259 HB3 PRO 39 2HB PRO 39 -15.698 -11.973 -3.157
260 HG2 PRO 39 1HG PRO 39 -13.534 -11.103 -1.280
261 HG3 PRO 39 2HG PRO 39 -14.351 -10.176 -2.551
262 HD2 PRO 39 1HD PRO 39 -15.000 -9.943 0.067
263 HD3 PRO 39 2HD PRO 39 -16.194 -9.752 -1.233
264 H SER 40 H SER 40 -16.544 -14.876 0.084
265 HA SER 40 HA SER 40 -14.120 -15.374 1.510
266 HB2 SER 40 1HB SER 40 -15.279 -17.467 2.233
267 HB3 SER 40 2HB SER 40 -16.231 -16.009 2.510
268 HG SER 40 HG SER 40 -16.519 -17.856 0.375
269 H SER 41 H SER 41 -12.371 -15.926 0.355
270 HA SER 41 HA SER 41 -12.520 -17.574 -1.989
271 HB2 SER 41 1HB SER 41 -10.296 -16.295 -0.433
272 HB3 SER 41 2HB SER 41 -9.926 -17.521 -1.646
273 HG SER 41 HG SER 41 -11.606 -15.345 -2.262
274 H GLY 42 H GLY 42 -10.934 -18.010 1.182
275 HA2 GLY 42 1HA GLY 42 -11.397 -20.911 0.882
276 HA3 GLY 42 2HA GLY 42 -9.846 -20.289 1.426
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -14.166 6.293 -13.719
2 HA2 GLY 1 1HA GLY 1 -13.205 8.020 -15.916
3 HA3 GLY 1 2HA GLY 1 -12.838 8.300 -14.220
4 H SER 2 H SER 2 -11.498 7.317 -16.995
5 HA SER 2 HA SER 2 -9.914 5.130 -15.902
6 HB2 SER 2 1HB SER 2 -9.011 4.894 -18.144
7 HB3 SER 2 2HB SER 2 -10.767 5.027 -18.242
8 HG SER 2 HG SER 2 -10.078 6.437 -19.734
9 H SER 3 H SER 3 -9.536 7.517 -14.543
10 HA SER 3 HA SER 3 -7.230 8.904 -15.537
11 HB2 SER 3 1HB SER 3 -7.257 10.046 -13.346
12 HB3 SER 3 2HB SER 3 -8.849 10.053 -14.104
13 HG SER 3 HG SER 3 -8.004 8.185 -12.141
14 H GLY 4 H GLY 4 -5.118 8.849 -14.713
15 HA2 GLY 4 1HA GLY 4 -4.438 6.296 -13.403
16 HA3 GLY 4 2HA GLY 4 -3.366 7.205 -14.458
17 H SER 5 H SER 5 -2.348 9.094 -13.660
18 HA SER 5 HA SER 5 -0.985 9.994 -12.034
19 HB2 SER 5 1HB SER 5 -2.307 11.305 -10.375
20 HB3 SER 5 2HB SER 5 -2.878 11.512 -12.031
21 HG SER 5 HG SER 5 -4.041 9.477 -10.529
22 H SER 6 H SER 6 -1.069 7.245 -11.695
23 HA SER 6 HA SER 6 -1.734 6.515 -9.019
24 HB2 SER 6 1HB SER 6 -1.533 4.966 -11.054
25 HB3 SER 6 2HB SER 6 0.209 5.038 -10.790
26 HG SER 6 HG SER 6 -1.461 3.428 -9.627
27 H GLY 7 H GLY 7 1.301 7.299 -10.685
28 HA2 GLY 7 1HA GLY 7 3.273 8.142 -9.841
29 HA3 GLY 7 2HA GLY 7 2.457 8.360 -8.299
30 H GLU 8 H GLU 8 4.997 7.621 -8.136
31 HA GLU 8 HA GLU 8 4.969 4.710 -7.706
32 HB2 GLU 8 1HB GLU 8 6.705 5.669 -9.257
33 HB3 GLU 8 2HB GLU 8 7.389 6.508 -7.872
34 HG2 GLU 8 1HG GLU 8 7.491 4.142 -6.814
35 HG3 GLU 8 2HG GLU 8 7.349 3.588 -8.482
36 H LYS 9 H LYS 9 4.110 4.565 -5.673
37 HA LYS 9 HA LYS 9 5.321 6.143 -3.525
38 HB2 LYS 9 1HB LYS 9 2.901 4.329 -3.498
39 HB3 LYS 9 2HB LYS 9 3.464 5.296 -2.141
40 HG2 LYS 9 1HG LYS 9 2.987 7.331 -3.320
41 HG3 LYS 9 2HG LYS 9 2.586 6.434 -4.786
42 HD2 LYS 9 1HD LYS 9 0.777 5.294 -3.414
43 HD3 LYS 9 2HD LYS 9 1.078 6.523 -2.183
44 HE2 LYS 9 1HE LYS 9 0.363 7.129 -5.048
45 HE3 LYS 9 2HE LYS 9 -0.807 7.053 -3.732
46 HZ1 LYS 9 3HZ LYS 9 1.440 8.965 -4.034
47 HZ2 LYS 9 1HZ LYS 9 0.543 8.804 -2.609
48 HZ3 LYS 9 2HZ LYS 9 -0.216 9.312 -4.032
49 HA PRO 10 HA PRO 10 7.811 2.791 -2.130
50 HB2 PRO 10 1HB PRO 10 8.113 3.529 0.465
51 HB3 PRO 10 2HB PRO 10 8.935 4.348 -0.868
52 HG2 PRO 10 1HG PRO 10 6.451 5.143 0.601
53 HG3 PRO 10 2HG PRO 10 7.818 6.149 0.088
54 HD2 PRO 10 1HD PRO 10 5.484 6.056 -1.281
55 HD3 PRO 10 2HD PRO 10 7.049 6.311 -2.079
56 H TYR 11 H TYR 11 5.259 3.722 0.189
57 HA TYR 11 HA TYR 11 5.072 1.113 1.315
58 HB2 TYR 11 1HB TYR 11 3.044 3.351 1.461
59 HB3 TYR 11 2HB TYR 11 3.178 1.976 2.553
60 HD1 TYR 11 HD2 TYR 11 4.638 5.197 1.579
61 HD2 TYR 11 HD1 TYR 11 4.876 1.913 4.274
62 HE1 TYR 11 HE2 TYR 11 6.135 6.503 3.030
63 HE2 TYR 11 HE1 TYR 11 6.372 3.210 5.732
64 HH TYR 11 HH TYR 11 7.104 6.596 5.067
65 H VAL 12 H VAL 12 3.834 -0.577 0.760
66 HA VAL 12 HA VAL 12 1.632 -0.196 -1.131
67 HB VAL 12 HB VAL 12 3.873 -2.180 -1.541
68 HG11 VAL 12 1HG1 VAL 12 1.198 -2.526 -2.154
69 HG12 VAL 12 2HG1 VAL 12 1.912 -1.966 -3.668
70 HG13 VAL 12 3HG1 VAL 12 2.556 -3.398 -2.864
71 HG21 VAL 12 3HG2 VAL 12 4.692 -0.839 -3.152
72 HG22 VAL 12 1HG2 VAL 12 3.088 -0.341 -3.694
73 HG23 VAL 12 2HG2 VAL 12 3.822 0.428 -2.287
74 H CYS 13 H CYS 13 -0.093 -1.045 -0.187
75 HA CYS 13 HA CYS 13 -0.126 -2.701 2.029
76 HB2 CYS 13 1HB CYS 13 -2.075 -1.413 1.259
77 HB3 CYS 13 2HB CYS 13 -2.232 -2.480 -0.132
78 H SER 14 H SER 14 0.375 -4.762 2.329
79 HA SER 14 HA SER 14 0.874 -6.477 0.049
80 HB2 SER 14 1HB SER 14 1.334 -6.752 3.014
81 HB3 SER 14 2HB SER 14 1.549 -8.116 1.917
82 HG SER 14 HG SER 14 3.202 -7.079 0.934
83 H ASP 15 H ASP 15 -1.893 -5.628 1.108
84 HA ASP 15 HA ASP 15 -3.028 -8.322 1.441
85 HB2 ASP 15 1HB ASP 15 -3.436 -6.368 3.135
86 HB3 ASP 15 2HB ASP 15 -4.589 -5.809 1.926
87 H CYS 16 H CYS 16 -3.572 -5.232 -0.230
88 HA CYS 16 HA CYS 16 -5.083 -6.713 -2.284
89 HB2 CYS 16 1HB CYS 16 -6.204 -4.533 -2.778
90 HB3 CYS 16 2HB CYS 16 -6.553 -5.164 -1.172
91 H GLY 17 H GLY 17 -2.900 -3.958 -1.746
92 HA2 GLY 17 1HA GLY 17 -0.871 -4.049 -3.227
93 HA3 GLY 17 2HA GLY 17 -2.011 -4.248 -4.549
94 H LYS 18 H LYS 18 -2.832 -2.131 -1.942
95 HA LYS 18 HA LYS 18 -2.854 0.120 -3.761
96 HB2 LYS 18 1HB LYS 18 -4.664 -0.433 -2.037
97 HB3 LYS 18 2HB LYS 18 -3.545 0.186 -0.829
98 HG2 LYS 18 1HG LYS 18 -3.672 2.358 -1.641
99 HG3 LYS 18 2HG LYS 18 -4.298 1.839 -3.207
100 HD2 LYS 18 1HD LYS 18 -6.416 1.248 -2.217
101 HD3 LYS 18 2HD LYS 18 -5.796 1.590 -0.599
102 HE2 LYS 18 1HE LYS 18 -6.965 3.521 -1.076
103 HE3 LYS 18 2HE LYS 18 -5.331 3.958 -1.573
104 HZ1 LYS 18 3HZ LYS 18 -6.940 2.737 -3.641
105 HZ2 LYS 18 1HZ LYS 18 -5.933 4.095 -3.711
106 HZ3 LYS 18 2HZ LYS 18 -7.507 4.239 -3.110
107 H ALA 19 H ALA 19 -1.280 1.566 -3.954
108 HA ALA 19 HA ALA 19 0.959 1.494 -2.096
109 HB1 ALA 19 3HB ALA 19 0.908 3.360 -4.407
110 HB2 ALA 19 1HB ALA 19 2.238 2.406 -3.750
111 HB3 ALA 19 2HB ALA 19 0.997 1.629 -4.735
112 H PHE 20 H PHE 20 1.619 3.178 -0.817
113 HA PHE 20 HA PHE 20 -0.037 5.604 -0.801
114 HB2 PHE 20 1HB PHE 20 0.809 4.092 1.679
115 HB3 PHE 20 2HB PHE 20 -0.142 5.572 1.632
116 HD1 PHE 20 HD2 PHE 20 -0.168 1.991 0.707
117 HD2 PHE 20 HD1 PHE 20 -2.470 5.506 1.381
118 HE1 PHE 20 HE2 PHE 20 -2.231 0.655 0.603
119 HE2 PHE 20 HE1 PHE 20 -4.538 4.176 1.280
120 HZ PHE 20 HZ PHE 20 -4.420 1.747 0.889
121 H THR 21 H THR 21 1.003 7.491 -0.197
122 HA THR 21 HA THR 21 3.832 7.532 -0.606
123 HB THR 21 HB THR 21 2.009 9.773 0.293
124 HG1 THR 21 HG1 THR 21 2.937 9.056 -2.309
125 HG21 THR 21 3HG2 THR 21 4.185 10.737 -1.200
126 HG22 THR 21 1HG2 THR 21 4.861 9.609 -0.025
127 HG23 THR 21 2HG2 THR 21 3.877 10.967 0.521
128 H PHE 22 H PHE 22 1.710 8.081 2.181
129 HA PHE 22 HA PHE 22 4.064 8.243 3.920
130 HB2 PHE 22 1HB PHE 22 1.198 8.723 4.729
131 HB3 PHE 22 2HB PHE 22 2.660 9.233 5.567
132 HD1 PHE 22 HD2 PHE 22 0.401 9.910 2.772
133 HD2 PHE 22 HD1 PHE 22 3.898 11.171 4.847
134 HE1 PHE 22 HE2 PHE 22 0.308 12.075 1.607
135 HE2 PHE 22 HE1 PHE 22 3.810 13.338 3.685
136 HZ PHE 22 HZ PHE 22 2.014 13.792 2.062
137 H LYS 23 H LYS 23 4.137 7.008 5.883
138 HA LYS 23 HA LYS 23 3.403 4.286 5.499
139 HB2 LYS 23 1HB LYS 23 5.447 4.954 6.697
140 HB3 LYS 23 2HB LYS 23 4.466 5.669 7.970
141 HG2 LYS 23 1HG LYS 23 3.807 3.622 8.799
142 HG3 LYS 23 2HG LYS 23 4.116 2.788 7.274
143 HD2 LYS 23 1HD LYS 23 6.595 3.465 7.736
144 HD3 LYS 23 2HD LYS 23 6.039 3.633 9.403
145 HE2 LYS 23 1HE LYS 23 5.587 1.384 9.617
146 HE3 LYS 23 2HE LYS 23 5.370 1.154 7.882
147 HZ1 LYS 23 3HZ LYS 23 7.403 0.236 8.074
148 HZ2 LYS 23 1HZ LYS 23 7.804 1.102 9.471
149 HZ3 LYS 23 2HZ LYS 23 7.929 1.839 7.954
150 H SER 24 H SER 24 2.378 6.733 7.877
151 HA SER 24 HA SER 24 0.544 5.271 9.303
152 HB2 SER 24 1HB SER 24 0.658 8.175 8.545
153 HB3 SER 24 2HB SER 24 -0.718 7.553 9.456
154 HG SER 24 HG SER 24 1.220 6.589 10.760
155 H GLN 25 H GLN 25 0.035 6.966 6.232
156 HA GLN 25 HA GLN 25 -2.677 6.658 5.913
157 HB2 GLN 25 1HB GLN 25 -0.380 6.774 4.016
158 HB3 GLN 25 2HB GLN 25 -1.955 6.319 3.379
159 HG2 GLN 25 1HG GLN 25 -1.350 8.846 4.900
160 HG3 GLN 25 2HG GLN 25 -1.514 8.713 3.149
161 HE21 GLN 25 1HE2 GLN 25 -3.046 9.986 5.538
162 HE22 GLN 25 2HE2 GLN 25 -4.694 9.634 5.158
163 H LEU 26 H LEU 26 -0.144 4.335 4.993
164 HA LEU 26 HA LEU 26 -1.856 2.357 3.982
165 HB2 LEU 26 1HB LEU 26 0.491 2.293 3.512
166 HB3 LEU 26 2HB LEU 26 0.879 2.166 5.226
167 HG LEU 26 HG LEU 26 -0.201 -0.080 5.237
168 HD11 LEU 26 1HD1 LEU 26 -1.601 0.404 3.194
169 HD12 LEU 26 2HD1 LEU 26 -0.806 -1.170 3.231
170 HD13 LEU 26 3HD1 LEU 26 -0.145 0.129 2.238
171 HD21 LEU 26 3HD2 LEU 26 1.639 -1.071 3.635
172 HD22 LEU 26 1HD2 LEU 26 2.076 -0.287 5.154
173 HD23 LEU 26 2HD2 LEU 26 2.214 0.597 3.634
174 H ILE 27 H ILE 27 -0.259 2.497 7.171
175 HA ILE 27 HA ILE 27 -1.282 0.309 8.392
176 HB ILE 27 HB ILE 27 -1.011 3.053 9.622
177 HG12 ILE 27 1HG1 ILE 27 0.882 0.712 9.820
178 HG13 ILE 27 2HG1 ILE 27 1.023 1.934 8.562
179 HG21 ILE 27 1HG2 ILE 27 -2.029 2.176 11.398
180 HG22 ILE 27 2HG2 ILE 27 -1.991 0.552 10.713
181 HG23 ILE 27 3HG2 ILE 27 -0.597 1.167 11.600
182 HD11 ILE 27 3HD1 ILE 27 2.537 2.465 10.327
183 HD12 ILE 27 1HD1 ILE 27 1.232 3.651 10.339
184 HD13 ILE 27 2HD1 ILE 27 1.252 2.350 11.530
185 H VAL 28 H VAL 28 -2.933 3.448 8.132
186 HA VAL 28 HA VAL 28 -5.283 2.669 9.485
187 HB VAL 28 HB VAL 28 -4.927 4.822 7.395
188 HG11 VAL 28 1HG1 VAL 28 -7.297 3.924 8.026
189 HG12 VAL 28 2HG1 VAL 28 -7.043 4.860 9.500
190 HG13 VAL 28 3HG1 VAL 28 -7.004 5.660 7.928
191 HG21 VAL 28 3HG2 VAL 28 -3.490 4.936 9.478
192 HG22 VAL 28 1HG2 VAL 28 -4.520 6.333 9.167
193 HG23 VAL 28 2HG2 VAL 28 -4.987 5.148 10.386
194 H HIS 29 H HIS 29 -4.437 2.722 6.042
195 HA HIS 29 HA HIS 29 -6.931 1.957 5.026
196 HB2 HIS 29 1HB HIS 29 -5.513 2.694 3.364
197 HB3 HIS 29 2HB HIS 29 -4.121 1.840 4.025
198 HD1 HIS 29 HD1 HIS 29 -7.154 1.307 1.874
199 HD2 HIS 29 HD2 HIS 29 -3.727 -0.727 3.051
200 HE1 HIS 29 HE1 HIS 29 -7.040 -0.727 0.400
201 H GLN 30 H GLN 30 -4.059 -0.114 5.484
202 HA GLN 30 HA GLN 30 -4.940 -2.556 4.895
203 HB2 GLN 30 1HB GLN 30 -3.502 -1.898 7.472
204 HB3 GLN 30 2HB GLN 30 -3.560 -3.480 6.707
205 HG2 GLN 30 1HG GLN 30 -2.277 -2.726 4.857
206 HG3 GLN 30 2HG GLN 30 -2.407 -1.046 5.376
207 HE21 GLN 30 1HE2 GLN 30 -0.099 -2.914 4.903
208 HE22 GLN 30 2HE2 GLN 30 0.851 -2.796 6.341
209 H GLY 31 H GLY 31 -6.031 -0.671 7.637
210 HA2 GLY 31 1HA GLY 31 -7.310 -2.605 9.157
211 HA3 GLY 31 2HA GLY 31 -7.842 -0.935 9.024
212 H ILE 32 H ILE 32 -8.650 -0.753 6.430
213 HA ILE 32 HA ILE 32 -11.231 -1.523 6.377
214 HB ILE 32 HB ILE 32 -11.251 -1.321 3.991
215 HG12 ILE 32 1HG1 ILE 32 -8.277 -1.240 3.783
216 HG13 ILE 32 2HG1 ILE 32 -9.053 -2.815 3.901
217 HG21 ILE 32 1HG2 ILE 32 -9.889 0.539 5.693
218 HG22 ILE 32 2HG2 ILE 32 -9.239 0.634 4.057
219 HG23 ILE 32 3HG2 ILE 32 -10.967 0.854 4.333
220 HD11 ILE 32 3HD1 ILE 32 -9.720 -0.729 1.839
221 HD12 ILE 32 1HD1 ILE 32 -8.633 -2.094 1.583
222 HD13 ILE 32 2HD1 ILE 32 -10.341 -2.377 1.921
223 H HIS 33 H HIS 33 -8.499 -3.594 5.923
224 HA HIS 33 HA HIS 33 -10.027 -5.769 4.790
225 HB2 HIS 33 1HB HIS 33 -7.191 -5.663 5.837
226 HB3 HIS 33 2HB HIS 33 -7.909 -7.046 5.018
227 HD1 HIS 33 HD1 HIS 33 -9.183 -5.875 2.597
228 HD2 HIS 33 HD2 HIS 33 -5.530 -4.523 4.044
229 HE1 HIS 33 HE1 HIS 33 -8.048 -4.780 0.638
230 H THR 34 H THR 34 -8.462 -5.056 7.896
231 HA THR 34 HA THR 34 -9.530 -7.454 9.109
232 HB THR 34 HB THR 34 -8.506 -6.533 11.209
233 HG1 THR 34 HG1 THR 34 -7.716 -4.562 11.210
234 HG21 THR 34 3HG2 THR 34 -6.381 -6.433 9.129
235 HG22 THR 34 1HG2 THR 34 -7.337 -7.907 9.268
236 HG23 THR 34 2HG2 THR 34 -6.425 -7.314 10.656
237 H GLY 35 H GLY 35 -11.539 -7.585 9.853
238 HA2 GLY 35 1HA GLY 35 -12.974 -6.585 11.678
239 HA3 GLY 35 2HA GLY 35 -12.862 -5.100 10.744
240 H VAL 36 H VAL 36 -15.279 -5.404 10.965
241 HA VAL 36 HA VAL 36 -16.289 -7.151 8.817
242 HB VAL 36 HB VAL 36 -18.465 -7.099 9.927
243 HG11 VAL 36 1HG1 VAL 36 -17.531 -8.119 12.220
244 HG12 VAL 36 2HG1 VAL 36 -17.453 -8.980 10.681
245 HG13 VAL 36 3HG1 VAL 36 -16.039 -8.110 11.279
246 HG21 VAL 36 3HG2 VAL 36 -19.005 -5.785 11.685
247 HG22 VAL 36 1HG2 VAL 36 -17.402 -5.913 12.410
248 HG23 VAL 36 2HG2 VAL 36 -17.680 -4.794 11.075
249 H SER 37 H SER 37 -15.173 -4.666 8.182
250 HA SER 37 HA SER 37 -17.059 -2.575 8.025
251 HB2 SER 37 1HB SER 37 -14.501 -2.486 7.686
252 HB3 SER 37 2HB SER 37 -14.842 -2.969 6.024
253 HG SER 37 HG SER 37 -15.490 -1.015 5.620
254 H GLY 38 H GLY 38 -18.994 -3.629 7.329
255 HA2 GLY 38 1HA GLY 38 -20.493 -4.468 5.784
256 HA3 GLY 38 2HA GLY 38 -19.783 -3.227 4.763
257 HA PRO 39 HA PRO 39 -19.145 -7.310 2.682
258 HB2 PRO 39 1HB PRO 39 -19.855 -6.423 0.217
259 HB3 PRO 39 2HB PRO 39 -21.028 -7.017 1.399
260 HG2 PRO 39 1HG PRO 39 -20.285 -4.197 0.720
261 HG3 PRO 39 2HG PRO 39 -21.891 -4.894 1.003
262 HD2 PRO 39 1HD PRO 39 -20.567 -3.472 2.889
263 HD3 PRO 39 2HD PRO 39 -21.662 -4.809 3.295
264 H SER 40 H SER 40 -17.359 -7.916 1.529
265 HA SER 40 HA SER 40 -15.374 -5.834 1.040
266 HB2 SER 40 1HB SER 40 -14.970 -8.071 2.318
267 HB3 SER 40 2HB SER 40 -14.857 -8.775 0.705
268 HG SER 40 HG SER 40 -13.277 -6.670 1.768
269 H SER 41 H SER 41 -14.278 -5.595 -0.927
270 HA SER 41 HA SER 41 -15.122 -7.110 -3.243
271 HB2 SER 41 1HB SER 41 -16.072 -5.317 -4.481
272 HB3 SER 41 2HB SER 41 -16.844 -5.258 -2.897
273 HG SER 41 HG SER 41 -14.618 -3.682 -3.684
274 H GLY 42 H GLY 42 -13.420 -7.392 -4.525
275 HA2 GLY 42 1HA GLY 42 -11.328 -7.150 -5.438
276 HA3 GLY 42 2HA GLY 42 -11.645 -5.422 -5.382
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -12.899 5.151 -11.931
2 HA2 GLY 1 1HA GLY 1 -11.933 4.601 -14.555
3 HA3 GLY 1 2HA GLY 1 -12.651 6.203 -14.474
4 H SER 2 H SER 2 -9.993 4.194 -13.510
5 HA SER 2 HA SER 2 -8.757 6.312 -11.948
6 HB2 SER 2 1HB SER 2 -7.713 3.564 -12.677
7 HB3 SER 2 2HB SER 2 -6.976 4.675 -11.524
8 HG SER 2 HG SER 2 -8.567 4.305 -10.116
9 H SER 3 H SER 3 -7.144 7.611 -12.616
10 HA SER 3 HA SER 3 -6.037 7.145 -15.306
11 HB2 SER 3 1HB SER 3 -7.213 9.612 -14.103
12 HB3 SER 3 2HB SER 3 -5.859 9.792 -15.219
13 HG SER 3 HG SER 3 -7.328 8.186 -16.491
14 H GLY 4 H GLY 4 -3.998 6.507 -14.977
15 HA2 GLY 4 1HA GLY 4 -1.763 6.715 -14.448
16 HA3 GLY 4 2HA GLY 4 -2.114 8.314 -13.809
17 H SER 5 H SER 5 -3.312 5.100 -12.870
18 HA SER 5 HA SER 5 -3.143 5.671 -10.105
19 HB2 SER 5 1HB SER 5 -3.691 3.230 -11.740
20 HB3 SER 5 2HB SER 5 -3.329 3.031 -10.025
21 HG SER 5 HG SER 5 -5.582 3.290 -10.456
22 H SER 6 H SER 6 -1.105 3.735 -12.272
23 HA SER 6 HA SER 6 0.680 2.630 -10.539
24 HB2 SER 6 1HB SER 6 0.861 2.187 -12.896
25 HB3 SER 6 2HB SER 6 1.222 3.878 -13.240
26 HG SER 6 HG SER 6 3.229 3.358 -12.974
27 H GLY 7 H GLY 7 1.239 3.772 -8.735
28 HA2 GLY 7 1HA GLY 7 2.529 6.389 -9.114
29 HA3 GLY 7 2HA GLY 7 1.876 5.783 -7.599
30 H GLU 8 H GLU 8 4.269 6.813 -7.352
31 HA GLU 8 HA GLU 8 6.123 4.522 -7.367
32 HB2 GLU 8 1HB GLU 8 6.583 7.452 -7.808
33 HB3 GLU 8 2HB GLU 8 7.881 6.444 -7.183
34 HG2 GLU 8 1HG GLU 8 7.348 4.928 -9.212
35 HG3 GLU 8 2HG GLU 8 6.543 6.361 -9.850
36 H LYS 9 H LYS 9 4.313 4.772 -5.303
37 HA LYS 9 HA LYS 9 5.601 6.124 -3.086
38 HB2 LYS 9 1HB LYS 9 3.038 4.618 -3.456
39 HB3 LYS 9 2HB LYS 9 3.656 4.892 -1.832
40 HG2 LYS 9 1HG LYS 9 2.111 6.625 -2.304
41 HG3 LYS 9 2HG LYS 9 3.726 7.336 -2.365
42 HD2 LYS 9 1HD LYS 9 2.640 8.212 -4.243
43 HD3 LYS 9 2HD LYS 9 3.618 6.891 -4.887
44 HE2 LYS 9 1HE LYS 9 1.404 6.832 -5.863
45 HE3 LYS 9 2HE LYS 9 1.640 5.427 -4.824
46 HZ1 LYS 9 3HZ LYS 9 0.287 7.891 -3.891
47 HZ2 LYS 9 1HZ LYS 9 0.291 6.365 -3.160
48 HZ3 LYS 9 2HZ LYS 9 -0.551 6.608 -4.607
49 HA PRO 10 HA PRO 10 7.981 2.688 -1.705
50 HB2 PRO 10 1HB PRO 10 8.228 3.358 0.915
51 HB3 PRO 10 2HB PRO 10 9.102 4.191 -0.376
52 HG2 PRO 10 1HG PRO 10 6.597 5.004 1.045
53 HG3 PRO 10 2HG PRO 10 7.998 5.993 0.593
54 HD2 PRO 10 1HD PRO 10 5.700 5.982 -0.839
55 HD3 PRO 10 2HD PRO 10 7.291 6.221 -1.589
56 H TYR 11 H TYR 11 5.385 3.619 0.565
57 HA TYR 11 HA TYR 11 5.113 0.985 1.618
58 HB2 TYR 11 1HB TYR 11 3.084 3.215 1.784
59 HB3 TYR 11 2HB TYR 11 3.273 1.853 2.883
60 HD1 TYR 11 HD2 TYR 11 4.617 5.110 1.870
61 HD2 TYR 11 HD1 TYR 11 5.007 1.847 4.572
62 HE1 TYR 11 HE2 TYR 11 6.099 6.469 3.287
63 HE2 TYR 11 HE1 TYR 11 6.490 3.197 5.997
64 HH TYR 11 HH TYR 11 8.023 5.187 5.694
65 H VAL 12 H VAL 12 3.908 -0.669 0.933
66 HA VAL 12 HA VAL 12 1.728 -0.181 -0.962
67 HB VAL 12 HB VAL 12 3.988 -2.130 -1.422
68 HG11 VAL 12 1HG1 VAL 12 2.516 -3.441 -2.452
69 HG12 VAL 12 2HG1 VAL 12 1.222 -2.262 -2.229
70 HG13 VAL 12 3HG1 VAL 12 2.287 -2.150 -3.631
71 HG21 VAL 12 3HG2 VAL 12 3.202 -0.366 -3.596
72 HG22 VAL 12 1HG2 VAL 12 3.739 0.513 -2.165
73 HG23 VAL 12 2HG2 VAL 12 4.798 -0.680 -2.916
74 H CYS 13 H CYS 13 -0.029 -1.079 -0.132
75 HA CYS 13 HA CYS 13 -0.130 -2.803 2.033
76 HB2 CYS 13 1HB CYS 13 -2.101 -1.608 1.455
77 HB3 CYS 13 2HB CYS 13 -2.112 -2.271 -0.176
78 H SER 14 H SER 14 -0.930 -5.041 2.116
79 HA SER 14 HA SER 14 0.294 -6.649 -0.022
80 HB2 SER 14 1HB SER 14 1.319 -6.965 2.181
81 HB3 SER 14 2HB SER 14 -0.254 -7.374 2.867
82 HG SER 14 HG SER 14 0.808 -8.818 0.689
83 H ASP 15 H ASP 15 -2.587 -6.217 1.931
84 HA ASP 15 HA ASP 15 -4.003 -8.506 1.179
85 HB2 ASP 15 1HB ASP 15 -4.839 -5.767 2.087
86 HB3 ASP 15 2HB ASP 15 -6.048 -6.953 1.601
87 H CYS 16 H CYS 16 -4.370 -5.215 -0.157
88 HA CYS 16 HA CYS 16 -5.572 -6.375 -2.560
89 HB2 CYS 16 1HB CYS 16 -6.257 -4.081 -3.093
90 HB3 CYS 16 2HB CYS 16 -6.784 -4.538 -1.476
91 H GLY 17 H GLY 17 -2.951 -4.185 -1.590
92 HA2 GLY 17 1HA GLY 17 -0.790 -4.412 -2.667
93 HA3 GLY 17 2HA GLY 17 -1.636 -4.801 -4.158
94 H LYS 18 H LYS 18 -2.734 -2.220 -2.099
95 HA LYS 18 HA LYS 18 -2.438 -0.325 -4.238
96 HB2 LYS 18 1HB LYS 18 -3.659 -0.336 -1.528
97 HB3 LYS 18 2HB LYS 18 -3.196 1.226 -2.191
98 HG2 LYS 18 1HG LYS 18 -4.742 1.119 -3.887
99 HG3 LYS 18 2HG LYS 18 -4.810 -0.644 -3.858
100 HD2 LYS 18 1HD LYS 18 -5.820 -0.327 -1.496
101 HD3 LYS 18 2HD LYS 18 -6.118 1.331 -2.022
102 HE2 LYS 18 1HE LYS 18 -7.333 0.428 -3.990
103 HE3 LYS 18 2HE LYS 18 -7.122 -1.194 -3.332
104 HZ1 LYS 18 3HZ LYS 18 -8.880 0.959 -2.440
105 HZ2 LYS 18 1HZ LYS 18 -8.212 -0.034 -1.244
106 HZ3 LYS 18 2HZ LYS 18 -9.148 -0.711 -2.479
107 H ALA 19 H ALA 19 -1.637 1.980 -3.456
108 HA ALA 19 HA ALA 19 0.950 1.634 -2.091
109 HB1 ALA 19 3HB ALA 19 2.105 2.845 -3.700
110 HB2 ALA 19 1HB ALA 19 1.008 1.853 -4.662
111 HB3 ALA 19 2HB ALA 19 0.634 3.552 -4.367
112 H PHE 20 H PHE 20 1.681 3.368 -0.856
113 HA PHE 20 HA PHE 20 -0.041 5.717 -0.631
114 HB2 PHE 20 1HB PHE 20 0.723 3.998 1.739
115 HB3 PHE 20 2HB PHE 20 -0.143 5.529 1.817
116 HD1 PHE 20 HD2 PHE 20 -0.360 1.998 0.840
117 HD2 PHE 20 HD1 PHE 20 -2.470 5.667 1.293
118 HE1 PHE 20 HE2 PHE 20 -2.494 0.795 0.612
119 HE2 PHE 20 HE1 PHE 20 -4.608 4.469 1.067
120 HZ PHE 20 HZ PHE 20 -4.621 2.031 0.725
121 H THR 21 H THR 21 1.050 7.558 -0.211
122 HA THR 21 HA THR 21 3.895 7.532 -0.363
123 HB THR 21 HB THR 21 2.077 9.851 0.318
124 HG1 THR 21 HG1 THR 21 1.844 8.636 -1.799
125 HG21 THR 21 3HG2 THR 21 4.539 10.406 -1.131
126 HG22 THR 21 1HG2 THR 21 4.835 9.700 0.458
127 HG23 THR 21 2HG2 THR 21 3.881 11.177 0.313
128 H PHE 22 H PHE 22 1.579 8.242 2.226
129 HA PHE 22 HA PHE 22 3.772 8.528 4.135
130 HB2 PHE 22 1HB PHE 22 0.795 8.910 4.518
131 HB3 PHE 22 2HB PHE 22 2.039 9.273 5.709
132 HD1 PHE 22 HD1 PHE 22 3.998 10.827 4.641
133 HD2 PHE 22 HD2 PHE 22 -0.079 10.712 3.423
134 HE1 PHE 22 HE1 PHE 22 4.211 13.101 3.725
135 HE2 PHE 22 HE2 PHE 22 0.128 12.985 2.504
136 HZ PHE 22 HZ PHE 22 2.275 14.182 2.654
137 H LYS 23 H LYS 23 4.017 7.222 5.944
138 HA LYS 23 HA LYS 23 3.387 4.492 5.616
139 HB2 LYS 23 1HB LYS 23 5.359 5.318 6.861
140 HB3 LYS 23 2HB LYS 23 4.292 5.928 8.119
141 HG2 LYS 23 1HG LYS 23 3.695 3.776 8.817
142 HG3 LYS 23 2HG LYS 23 4.310 3.033 7.338
143 HD2 LYS 23 1HD LYS 23 5.956 2.529 8.900
144 HD3 LYS 23 2HD LYS 23 6.598 3.965 8.099
145 HE2 LYS 23 1HE LYS 23 6.922 4.323 10.405
146 HE3 LYS 23 2HE LYS 23 5.531 5.310 9.961
147 HZ1 LYS 23 3HZ LYS 23 5.362 3.932 12.070
148 HZ2 LYS 23 1HZ LYS 23 5.207 2.585 11.059
149 HZ3 LYS 23 2HZ LYS 23 4.067 3.832 10.986
150 H SER 24 H SER 24 2.117 6.938 7.865
151 HA SER 24 HA SER 24 0.336 5.341 9.266
152 HB2 SER 24 1HB SER 24 0.925 7.736 9.777
153 HB3 SER 24 2HB SER 24 -0.172 8.219 8.484
154 HG SER 24 HG SER 24 -1.847 7.702 9.689
155 H GLN 25 H GLN 25 -0.116 7.038 6.195
156 HA GLN 25 HA GLN 25 -2.812 6.679 5.787
157 HB2 GLN 25 1HB GLN 25 -0.460 6.827 3.955
158 HB3 GLN 25 2HB GLN 25 -2.022 6.382 3.281
159 HG2 GLN 25 1HG GLN 25 -1.731 8.823 4.984
160 HG3 GLN 25 2HG GLN 25 -1.312 8.854 3.272
161 HE21 GLN 25 1HE2 GLN 25 -3.835 8.811 5.589
162 HE22 GLN 25 2HE2 GLN 25 -5.157 8.923 4.483
163 H LEU 26 H LEU 26 -0.198 4.411 4.966
164 HA LEU 26 HA LEU 26 -1.881 2.398 3.925
165 HB2 LEU 26 1HB LEU 26 0.459 2.417 3.399
166 HB3 LEU 26 2HB LEU 26 0.889 2.276 5.102
167 HG LEU 26 HG LEU 26 -0.032 0.001 5.137
168 HD11 LEU 26 1HD1 LEU 26 -0.911 -1.075 3.267
169 HD12 LEU 26 2HD1 LEU 26 -0.297 0.147 2.155
170 HD13 LEU 26 3HD1 LEU 26 -1.651 0.525 3.220
171 HD21 LEU 26 3HD2 LEU 26 1.851 -0.955 4.284
172 HD22 LEU 26 1HD2 LEU 26 2.369 0.730 4.284
173 HD23 LEU 26 2HD2 LEU 26 1.791 -0.014 2.793
174 H ILE 27 H ILE 27 -0.253 2.629 7.090
175 HA ILE 27 HA ILE 27 -1.159 0.380 8.320
176 HB ILE 27 HB ILE 27 -0.900 3.138 9.517
177 HG12 ILE 27 1HG1 ILE 27 0.959 0.789 9.835
178 HG13 ILE 27 2HG1 ILE 27 1.111 1.908 8.485
179 HG21 ILE 27 1HG2 ILE 27 -1.861 0.638 10.679
180 HG22 ILE 27 2HG2 ILE 27 -0.526 1.367 11.570
181 HG23 ILE 27 3HG2 ILE 27 -1.997 2.292 11.274
182 HD11 ILE 27 3HD1 ILE 27 2.630 2.660 10.093
183 HD12 ILE 27 1HD1 ILE 27 1.248 3.746 10.230
184 HD13 ILE 27 2HD1 ILE 27 1.474 2.452 11.408
185 H VAL 28 H VAL 28 -2.929 3.447 8.040
186 HA VAL 28 HA VAL 28 -5.233 2.529 9.435
187 HB VAL 28 HB VAL 28 -4.959 4.828 7.494
188 HG11 VAL 28 1HG1 VAL 28 -7.049 4.644 9.620
189 HG12 VAL 28 2HG1 VAL 28 -7.049 5.579 8.124
190 HG13 VAL 28 3HG1 VAL 28 -7.296 3.833 8.074
191 HG21 VAL 28 3HG2 VAL 28 -3.481 4.904 9.510
192 HG22 VAL 28 1HG2 VAL 28 -4.639 6.230 9.405
193 HG23 VAL 28 2HG2 VAL 28 -4.935 4.886 10.508
194 H HIS 29 H HIS 29 -4.288 2.625 6.046
195 HA HIS 29 HA HIS 29 -6.796 1.965 4.940
196 HB2 HIS 29 1HB HIS 29 -5.296 2.782 3.368
197 HB3 HIS 29 2HB HIS 29 -3.963 1.808 3.981
198 HD1 HIS 29 HD1 HIS 29 -7.022 1.571 1.805
199 HD2 HIS 29 HD2 HIS 29 -3.679 -0.682 2.809
200 HE1 HIS 29 HE1 HIS 29 -7.000 -0.356 0.189
201 H GLN 30 H GLN 30 -3.945 -0.126 5.445
202 HA GLN 30 HA GLN 30 -4.826 -2.547 4.731
203 HB2 GLN 30 1HB GLN 30 -3.347 -1.858 7.271
204 HB3 GLN 30 2HB GLN 30 -3.553 -3.503 6.686
205 HG2 GLN 30 1HG GLN 30 -2.452 -2.720 4.540
206 HG3 GLN 30 2HG GLN 30 -2.012 -1.260 5.425
207 HE21 GLN 30 1HE2 GLN 30 0.140 -2.185 4.717
208 HE22 GLN 30 2HE2 GLN 30 0.929 -3.242 5.833
209 H GLY 31 H GLY 31 -6.026 -0.706 7.436
210 HA2 GLY 31 1HA GLY 31 -7.321 -2.698 8.895
211 HA3 GLY 31 2HA GLY 31 -7.837 -1.020 8.810
212 H ILE 32 H ILE 32 -8.558 -0.770 6.176
213 HA ILE 32 HA ILE 32 -11.154 -1.491 6.045
214 HB ILE 32 HB ILE 32 -11.109 -1.235 3.665
215 HG12 ILE 32 1HG1 ILE 32 -8.130 -1.202 3.531
216 HG13 ILE 32 2HG1 ILE 32 -8.934 -2.766 3.598
217 HG21 ILE 32 1HG2 ILE 32 -10.793 0.926 4.057
218 HG22 ILE 32 2HG2 ILE 32 -9.764 0.563 5.442
219 HG23 ILE 32 3HG2 ILE 32 -9.062 0.680 3.828
220 HD11 ILE 32 3HD1 ILE 32 -9.870 -0.753 1.620
221 HD12 ILE 32 1HD1 ILE 32 -8.375 -1.636 1.312
222 HD13 ILE 32 2HD1 ILE 32 -9.888 -2.515 1.537
223 H HIS 33 H HIS 33 -8.446 -3.598 5.627
224 HA HIS 33 HA HIS 33 -10.037 -5.731 4.463
225 HB2 HIS 33 1HB HIS 33 -7.151 -5.698 5.371
226 HB3 HIS 33 2HB HIS 33 -7.932 -7.018 4.506
227 HD1 HIS 33 HD1 HIS 33 -8.996 -6.152 2.069
228 HD2 HIS 33 HD2 HIS 33 -5.838 -4.016 3.721
229 HE1 HIS 33 HE1 HIS 33 -7.998 -4.847 0.165
230 H THR 34 H THR 34 -8.340 -5.051 7.502
231 HA THR 34 HA THR 34 -9.342 -7.481 8.721
232 HB THR 34 HB THR 34 -8.174 -6.670 10.760
233 HG1 THR 34 HG1 THR 34 -6.679 -4.779 10.102
234 HG21 THR 34 3HG2 THR 34 -7.093 -7.792 8.559
235 HG22 THR 34 1HG2 THR 34 -6.176 -7.445 10.024
236 HG23 THR 34 2HG2 THR 34 -6.123 -6.324 8.664
237 H GLY 35 H GLY 35 -10.019 -6.916 11.220
238 HA2 GLY 35 1HA GLY 35 -11.497 -5.752 12.625
239 HA3 GLY 35 2HA GLY 35 -11.959 -4.740 11.265
240 H VAL 36 H VAL 36 -13.979 -5.016 10.625
241 HA VAL 36 HA VAL 36 -15.666 -7.046 11.559
242 HB VAL 36 HB VAL 36 -16.015 -5.294 9.122
243 HG11 VAL 36 1HG1 VAL 36 -18.386 -6.257 10.549
244 HG12 VAL 36 2HG1 VAL 36 -18.075 -6.131 8.817
245 HG13 VAL 36 3HG1 VAL 36 -17.469 -7.517 9.724
246 HG21 VAL 36 3HG2 VAL 36 -17.247 -4.895 11.833
247 HG22 VAL 36 1HG2 VAL 36 -15.684 -4.201 11.404
248 HG23 VAL 36 2HG2 VAL 36 -17.128 -3.749 10.498
249 H SER 37 H SER 37 -15.576 -9.134 11.083
250 HA SER 37 HA SER 37 -14.452 -10.014 8.545
251 HB2 SER 37 1HB SER 37 -13.722 -11.115 10.631
252 HB3 SER 37 2HB SER 37 -15.381 -11.634 10.930
253 HG SER 37 HG SER 37 -14.109 -12.286 8.507
254 H GLY 38 H GLY 38 -16.048 -9.525 7.047
255 HA2 GLY 38 1HA GLY 38 -18.412 -11.272 7.192
256 HA3 GLY 38 2HA GLY 38 -18.621 -9.563 6.840
257 HA PRO 39 HA PRO 39 -17.411 -12.257 3.028
258 HB2 PRO 39 1HB PRO 39 -19.840 -13.131 2.188
259 HB3 PRO 39 2HB PRO 39 -18.805 -14.066 3.275
260 HG2 PRO 39 1HG PRO 39 -21.156 -12.330 3.924
261 HG3 PRO 39 2HG PRO 39 -20.732 -13.927 4.569
262 HD2 PRO 39 1HD PRO 39 -20.244 -11.632 5.922
263 HD3 PRO 39 2HD PRO 39 -19.195 -13.058 6.051
264 H SER 40 H SER 40 -17.736 -11.569 0.873
265 HA SER 40 HA SER 40 -18.989 -8.937 0.676
266 HB2 SER 40 1HB SER 40 -16.681 -9.113 -0.100
267 HB3 SER 40 2HB SER 40 -17.133 -10.399 -1.220
268 HG SER 40 HG SER 40 -18.125 -7.738 -1.282
269 H SER 41 H SER 41 -18.795 -11.871 -1.348
270 HA SER 41 HA SER 41 -21.045 -11.137 -2.932
271 HB2 SER 41 1HB SER 41 -19.269 -13.516 -2.701
272 HB3 SER 41 2HB SER 41 -20.846 -13.753 -3.456
273 HG SER 41 HG SER 41 -18.754 -12.891 -4.652
274 H GLY 42 H GLY 42 -23.043 -11.051 -2.145
275 HA2 GLY 42 1HA GLY 42 -24.191 -13.394 -0.898
276 HA3 GLY 42 2HA GLY 42 -24.077 -11.999 0.166
Start of MODEL 18
1 H1 GLY 1 H GLY 1 11.886 1.460 -19.751
2 HA2 GLY 1 1HA GLY 1 13.704 -0.660 -20.113
3 HA3 GLY 1 2HA GLY 1 14.090 1.050 -20.240
4 H SER 2 H SER 2 14.701 2.195 -18.315
5 HA SER 2 HA SER 2 16.037 0.426 -16.395
6 HB2 SER 2 1HB SER 2 17.366 2.150 -17.678
7 HB3 SER 2 2HB SER 2 16.488 3.390 -16.783
8 HG SER 2 HG SER 2 17.279 2.023 -14.877
9 H SER 3 H SER 3 14.381 -0.039 -14.973
10 HA SER 3 HA SER 3 12.708 2.000 -13.855
11 HB2 SER 3 1HB SER 3 13.081 -0.934 -13.418
12 HB3 SER 3 2HB SER 3 12.241 0.003 -12.183
13 HG SER 3 HG SER 3 11.118 -0.985 -14.227
14 H GLY 4 H GLY 4 12.623 2.593 -11.602
15 HA2 GLY 4 1HA GLY 4 14.485 1.955 -9.651
16 HA3 GLY 4 2HA GLY 4 15.179 3.286 -10.566
17 H SER 5 H SER 5 14.924 5.125 -9.503
18 HA SER 5 HA SER 5 12.699 5.491 -7.683
19 HB2 SER 5 1HB SER 5 13.820 7.578 -7.060
20 HB3 SER 5 2HB SER 5 14.966 6.238 -7.048
21 HG SER 5 HG SER 5 14.665 7.778 -9.375
22 H SER 6 H SER 6 11.710 5.220 -10.200
23 HA SER 6 HA SER 6 11.419 7.435 -11.810
24 HB2 SER 6 1HB SER 6 9.193 6.460 -12.445
25 HB3 SER 6 2HB SER 6 10.525 5.305 -12.497
26 HG SER 6 HG SER 6 8.924 4.282 -11.412
27 H GLY 7 H GLY 7 9.117 6.459 -9.257
28 HA2 GLY 7 1HA GLY 7 8.841 8.769 -7.874
29 HA3 GLY 7 2HA GLY 7 7.867 9.064 -9.306
30 H GLU 8 H GLU 8 8.281 5.994 -7.606
31 HA GLU 8 HA GLU 8 5.378 5.897 -7.234
32 HB2 GLU 8 1HB GLU 8 7.534 3.820 -7.375
33 HB3 GLU 8 2HB GLU 8 6.007 3.441 -6.590
34 HG2 GLU 8 1HG GLU 8 4.801 3.952 -8.629
35 HG3 GLU 8 2HG GLU 8 6.306 4.412 -9.423
36 H LYS 9 H LYS 9 4.767 4.520 -5.197
37 HA LYS 9 HA LYS 9 5.940 5.918 -2.915
38 HB2 LYS 9 1HB LYS 9 3.425 4.257 -3.151
39 HB3 LYS 9 2HB LYS 9 3.956 5.068 -1.683
40 HG2 LYS 9 1HG LYS 9 2.466 6.597 -2.478
41 HG3 LYS 9 2HG LYS 9 3.947 7.186 -3.235
42 HD2 LYS 9 1HD LYS 9 3.335 6.441 -5.326
43 HD3 LYS 9 2HD LYS 9 2.280 5.180 -4.683
44 HE2 LYS 9 1HE LYS 9 1.696 8.129 -4.475
45 HE3 LYS 9 2HE LYS 9 1.095 7.100 -5.774
46 HZ1 LYS 9 3HZ LYS 9 0.606 6.386 -2.956
47 HZ2 LYS 9 1HZ LYS 9 -0.265 5.935 -4.336
48 HZ3 LYS 9 2HZ LYS 9 -0.387 7.512 -3.737
49 HA PRO 10 HA PRO 10 8.169 2.394 -1.504
50 HB2 PRO 10 1HB PRO 10 8.339 3.016 1.133
51 HB3 PRO 10 2HB PRO 10 9.284 3.842 -0.112
52 HG2 PRO 10 1HG PRO 10 6.752 4.708 1.230
53 HG3 PRO 10 2HG PRO 10 8.196 5.661 0.846
54 HD2 PRO 10 1HD PRO 10 5.953 5.739 -0.669
55 HD3 PRO 10 2HD PRO 10 7.577 5.943 -1.357
56 H TYR 11 H TYR 11 5.436 3.373 0.568
57 HA TYR 11 HA TYR 11 5.069 0.708 1.577
58 HB2 TYR 11 1HB TYR 11 3.142 3.023 1.793
59 HB3 TYR 11 2HB TYR 11 3.244 1.612 2.840
60 HD1 TYR 11 HD2 TYR 11 4.740 4.848 1.998
61 HD2 TYR 11 HD1 TYR 11 4.957 1.451 4.550
62 HE1 TYR 11 HE2 TYR 11 6.251 6.079 3.498
63 HE2 TYR 11 HE1 TYR 11 6.468 2.673 6.058
64 HH TYR 11 HH TYR 11 7.415 6.032 5.384
65 H VAL 12 H VAL 12 3.659 -0.823 0.927
66 HA VAL 12 HA VAL 12 1.583 -0.168 -1.013
67 HB VAL 12 HB VAL 12 3.706 -2.245 -1.570
68 HG11 VAL 12 1HG1 VAL 12 1.551 -1.501 -3.495
69 HG12 VAL 12 2HG1 VAL 12 2.487 -2.992 -3.373
70 HG13 VAL 12 3HG1 VAL 12 1.203 -2.657 -2.210
71 HG21 VAL 12 3HG2 VAL 12 3.022 0.201 -3.186
72 HG22 VAL 12 1HG2 VAL 12 4.302 0.170 -1.974
73 HG23 VAL 12 2HG2 VAL 12 4.399 -0.882 -3.386
74 H CYS 13 H CYS 13 -0.186 -0.970 -0.101
75 HA CYS 13 HA CYS 13 -0.422 -2.762 1.936
76 HB2 CYS 13 1HB CYS 13 -2.242 -1.363 0.781
77 HB3 CYS 13 2HB CYS 13 -2.419 -2.727 -0.318
78 H SER 14 H SER 14 -0.165 -4.883 2.220
79 HA SER 14 HA SER 14 0.523 -6.513 -0.105
80 HB2 SER 14 1HB SER 14 1.040 -6.703 2.833
81 HB3 SER 14 2HB SER 14 1.038 -8.189 1.883
82 HG SER 14 HG SER 14 2.597 -5.886 1.312
83 H ASP 15 H ASP 15 -2.263 -5.701 0.739
84 HA ASP 15 HA ASP 15 -3.395 -8.415 0.949
85 HB2 ASP 15 1HB ASP 15 -4.177 -5.843 2.233
86 HB3 ASP 15 2HB ASP 15 -5.467 -6.947 1.764
87 H CYS 16 H CYS 16 -3.579 -5.272 -0.599
88 HA CYS 16 HA CYS 16 -5.301 -6.466 -2.669
89 HB2 CYS 16 1HB CYS 16 -6.419 -4.314 -2.956
90 HB3 CYS 16 2HB CYS 16 -6.597 -4.880 -1.298
91 H GLY 17 H GLY 17 -2.912 -3.953 -1.916
92 HA2 GLY 17 1HA GLY 17 -0.919 -3.960 -3.392
93 HA3 GLY 17 2HA GLY 17 -2.041 -4.090 -4.738
94 H LYS 18 H LYS 18 -2.936 -2.059 -2.105
95 HA LYS 18 HA LYS 18 -2.861 0.257 -3.830
96 HB2 LYS 18 1HB LYS 18 -4.658 -0.417 -2.044
97 HB3 LYS 18 2HB LYS 18 -3.565 0.380 -0.921
98 HG2 LYS 18 1HG LYS 18 -3.974 2.453 -1.772
99 HG3 LYS 18 2HG LYS 18 -4.329 1.840 -3.389
100 HD2 LYS 18 1HD LYS 18 -6.391 0.756 -2.157
101 HD3 LYS 18 2HD LYS 18 -6.100 2.058 -1.002
102 HE2 LYS 18 1HE LYS 18 -6.222 2.673 -3.922
103 HE3 LYS 18 2HE LYS 18 -7.718 2.415 -3.027
104 HZ1 LYS 18 3HZ LYS 18 -7.434 4.305 -1.822
105 HZ2 LYS 18 1HZ LYS 18 -6.627 4.781 -3.231
106 HZ3 LYS 18 2HZ LYS 18 -5.744 4.250 -1.890
107 H ALA 19 H ALA 19 -1.284 1.712 -3.923
108 HA ALA 19 HA ALA 19 0.960 1.505 -2.096
109 HB1 ALA 19 3HB ALA 19 1.157 3.674 -3.988
110 HB2 ALA 19 1HB ALA 19 2.164 2.236 -3.814
111 HB3 ALA 19 2HB ALA 19 0.693 2.171 -4.786
112 H PHE 20 H PHE 20 1.842 3.319 -0.963
113 HA PHE 20 HA PHE 20 0.138 5.648 -0.603
114 HB2 PHE 20 1HB PHE 20 0.911 3.891 1.735
115 HB3 PHE 20 2HB PHE 20 0.020 5.407 1.823
116 HD1 PHE 20 HD2 PHE 20 -0.142 1.873 0.873
117 HD2 PHE 20 HD1 PHE 20 -2.307 5.518 1.250
118 HE1 PHE 20 HE2 PHE 20 -2.256 0.638 0.636
119 HE2 PHE 20 HE1 PHE 20 -4.425 4.288 1.015
120 HZ PHE 20 HZ PHE 20 -4.401 1.845 0.706
121 H THR 21 H THR 21 1.308 7.442 -0.306
122 HA THR 21 HA THR 21 4.127 7.374 -0.462
123 HB THR 21 HB THR 21 2.353 9.689 0.340
124 HG1 THR 21 HG1 THR 21 2.245 8.490 -1.872
125 HG21 THR 21 3HG2 THR 21 5.234 9.402 0.036
126 HG22 THR 21 1HG2 THR 21 4.300 10.718 0.747
127 HG23 THR 21 2HG2 THR 21 4.566 10.667 -0.996
128 H PHE 22 H PHE 22 1.900 7.993 2.222
129 HA PHE 22 HA PHE 22 4.192 7.977 4.065
130 HB2 PHE 22 1HB PHE 22 1.386 8.875 4.716
131 HB3 PHE 22 2HB PHE 22 2.861 9.191 5.625
132 HD1 PHE 22 HD1 PHE 22 4.657 10.618 4.478
133 HD2 PHE 22 HD2 PHE 22 0.615 10.411 3.163
134 HE1 PHE 22 HE1 PHE 22 4.943 12.746 3.277
135 HE2 PHE 22 HE2 PHE 22 0.894 12.538 1.959
136 HZ PHE 22 HZ PHE 22 3.061 13.708 2.014
137 H LYS 23 H LYS 23 4.201 6.640 5.869
138 HA LYS 23 HA LYS 23 3.081 4.091 5.569
139 HB2 LYS 23 1HB LYS 23 5.116 4.639 6.908
140 HB3 LYS 23 2HB LYS 23 4.072 5.346 8.134
141 HG2 LYS 23 1HG LYS 23 2.952 3.114 8.334
142 HG3 LYS 23 2HG LYS 23 4.214 2.465 7.285
143 HD2 LYS 23 1HD LYS 23 5.888 3.384 8.938
144 HD3 LYS 23 2HD LYS 23 4.526 3.694 10.017
145 HE2 LYS 23 1HE LYS 23 5.177 1.618 10.742
146 HE3 LYS 23 2HE LYS 23 3.975 1.176 9.531
147 HZ1 LYS 23 3HZ LYS 23 6.799 0.677 9.564
148 HZ2 LYS 23 1HZ LYS 23 6.275 1.352 8.103
149 HZ3 LYS 23 2HZ LYS 23 5.579 -0.081 8.670
150 H SER 24 H SER 24 2.261 6.586 7.987
151 HA SER 24 HA SER 24 0.201 5.460 9.304
152 HB2 SER 24 1HB SER 24 1.128 7.899 9.386
153 HB3 SER 24 2HB SER 24 -0.188 8.252 8.267
154 HG SER 24 HG SER 24 -0.373 7.200 10.892
155 H GLN 25 H GLN 25 -0.113 7.092 6.158
156 HA GLN 25 HA GLN 25 -2.818 6.829 5.748
157 HB2 GLN 25 1HB GLN 25 -0.495 6.755 3.842
158 HB3 GLN 25 2HB GLN 25 -2.147 6.601 3.261
159 HG2 GLN 25 1HG GLN 25 -1.040 8.919 4.832
160 HG3 GLN 25 2HG GLN 25 -1.345 8.892 3.095
161 HE21 GLN 25 1HE2 GLN 25 -3.496 8.830 2.355
162 HE22 GLN 25 2HE2 GLN 25 -4.804 9.345 3.358
163 H LEU 26 H LEU 26 -0.284 4.433 5.128
164 HA LEU 26 HA LEU 26 -1.996 2.484 3.991
165 HB2 LEU 26 1HB LEU 26 0.343 2.350 3.572
166 HB3 LEU 26 2HB LEU 26 0.709 2.301 5.296
167 HG LEU 26 HG LEU 26 -0.352 0.064 5.411
168 HD11 LEU 26 1HD1 LEU 26 -0.846 -1.136 3.359
169 HD12 LEU 26 2HD1 LEU 26 -0.457 0.297 2.407
170 HD13 LEU 26 3HD1 LEU 26 -1.850 0.309 3.488
171 HD21 LEU 26 3HD2 LEU 26 1.572 -0.520 3.352
172 HD22 LEU 26 1HD2 LEU 26 1.681 -0.770 5.095
173 HD23 LEU 26 2HD2 LEU 26 2.151 0.780 4.396
174 H ILE 27 H ILE 27 -0.530 2.690 7.237
175 HA ILE 27 HA ILE 27 -1.580 0.516 8.462
176 HB ILE 27 HB ILE 27 -1.425 3.286 9.656
177 HG12 ILE 27 1HG1 ILE 27 0.551 1.031 9.966
178 HG13 ILE 27 2HG1 ILE 27 0.678 2.205 8.661
179 HG21 ILE 27 1HG2 ILE 27 -2.334 2.434 11.491
180 HG22 ILE 27 2HG2 ILE 27 -2.468 0.853 10.723
181 HG23 ILE 27 3HG2 ILE 27 -1.000 1.286 11.597
182 HD11 ILE 27 3HD1 ILE 27 0.371 3.724 10.971
183 HD12 ILE 27 1HD1 ILE 27 1.480 2.425 11.411
184 HD13 ILE 27 2HD1 ILE 27 1.849 3.474 10.041
185 H VAL 28 H VAL 28 -3.264 3.600 7.958
186 HA VAL 28 HA VAL 28 -5.662 2.833 9.256
187 HB VAL 28 HB VAL 28 -5.200 4.945 7.146
188 HG11 VAL 28 1HG1 VAL 28 -7.627 3.969 8.385
189 HG12 VAL 28 2HG1 VAL 28 -7.370 5.685 8.708
190 HG13 VAL 28 3HG1 VAL 28 -7.420 5.097 7.046
191 HG21 VAL 28 3HG2 VAL 28 -4.273 4.835 9.747
192 HG22 VAL 28 1HG2 VAL 28 -4.436 6.286 8.757
193 HG23 VAL 28 2HG2 VAL 28 -5.729 5.824 9.864
194 H HIS 29 H HIS 29 -4.636 2.786 5.865
195 HA HIS 29 HA HIS 29 -7.084 1.942 4.769
196 HB2 HIS 29 1HB HIS 29 -5.484 2.811 3.259
197 HB3 HIS 29 2HB HIS 29 -4.232 1.709 3.826
198 HD1 HIS 29 HD1 HIS 29 -7.317 1.802 1.678
199 HD2 HIS 29 HD2 HIS 29 -4.178 -0.765 2.586
200 HE1 HIS 29 HE1 HIS 29 -7.476 -0.073 0.009
201 H GLN 30 H GLN 30 -4.147 -0.014 5.310
202 HA GLN 30 HA GLN 30 -4.956 -2.495 4.741
203 HB2 GLN 30 1HB GLN 30 -3.517 -1.762 7.297
204 HB3 GLN 30 2HB GLN 30 -3.529 -3.352 6.547
205 HG2 GLN 30 1HG GLN 30 -2.499 -2.252 4.516
206 HG3 GLN 30 2HG GLN 30 -2.250 -0.834 5.534
207 HE21 GLN 30 1HE2 GLN 30 -1.673 -4.332 5.511
208 HE22 GLN 30 2HE2 GLN 30 -0.124 -4.255 6.272
209 H GLY 31 H GLY 31 -6.132 -0.584 7.414
210 HA2 GLY 31 1HA GLY 31 -7.319 -2.542 8.994
211 HA3 GLY 31 2HA GLY 31 -7.907 -0.893 8.836
212 H ILE 32 H ILE 32 -8.720 -0.795 6.230
213 HA ILE 32 HA ILE 32 -11.280 -1.673 6.224
214 HB ILE 32 HB ILE 32 -11.342 -1.453 3.841
215 HG12 ILE 32 1HG1 ILE 32 -8.380 -1.226 3.584
216 HG13 ILE 32 2HG1 ILE 32 -9.071 -2.840 3.718
217 HG21 ILE 32 1HG2 ILE 32 -10.438 0.734 3.560
218 HG22 ILE 32 2HG2 ILE 32 -10.945 0.583 5.242
219 HG23 ILE 32 3HG2 ILE 32 -9.236 0.463 4.822
220 HD11 ILE 32 3HD1 ILE 32 -10.463 -1.170 1.791
221 HD12 ILE 32 1HD1 ILE 32 -8.758 -1.403 1.408
222 HD13 ILE 32 2HD1 ILE 32 -9.812 -2.800 1.623
223 H HIS 33 H HIS 33 -8.461 -3.609 5.767
224 HA HIS 33 HA HIS 33 -9.965 -5.864 4.707
225 HB2 HIS 33 1HB HIS 33 -7.036 -5.620 5.427
226 HB3 HIS 33 2HB HIS 33 -7.779 -7.001 4.626
227 HD1 HIS 33 HD1 HIS 33 -9.227 -6.018 2.329
228 HD2 HIS 33 HD2 HIS 33 -5.766 -4.105 3.603
229 HE1 HIS 33 HE1 HIS 33 -8.395 -4.734 0.334
230 H THR 34 H THR 34 -8.242 -4.927 7.646
231 HA THR 34 HA THR 34 -8.872 -7.426 8.964
232 HB THR 34 HB THR 34 -7.751 -6.445 10.927
233 HG1 THR 34 HG1 THR 34 -7.357 -4.359 11.028
234 HG21 THR 34 3HG2 THR 34 -6.564 -7.398 8.749
235 HG22 THR 34 1HG2 THR 34 -5.640 -6.761 10.109
236 HG23 THR 34 2HG2 THR 34 -5.923 -5.757 8.687
237 H GLY 35 H GLY 35 -9.636 -7.007 11.408
238 HA2 GLY 35 1HA GLY 35 -11.348 -6.385 12.814
239 HA3 GLY 35 2HA GLY 35 -11.579 -4.965 11.805
240 H VAL 36 H VAL 36 -12.307 -8.420 12.047
241 HA VAL 36 HA VAL 36 -14.997 -7.975 11.155
242 HB VAL 36 HB VAL 36 -13.798 -8.055 8.988
243 HG11 VAL 36 1HG1 VAL 36 -13.274 -10.960 9.359
244 HG12 VAL 36 2HG1 VAL 36 -12.474 -9.792 8.305
245 HG13 VAL 36 3HG1 VAL 36 -12.126 -9.804 10.035
246 HG21 VAL 36 3HG2 VAL 36 -15.482 -9.191 7.973
247 HG22 VAL 36 1HG2 VAL 36 -15.321 -10.593 9.030
248 HG23 VAL 36 2HG2 VAL 36 -16.156 -9.150 9.603
249 H SER 37 H SER 37 -16.150 -9.232 12.448
250 HA SER 37 HA SER 37 -15.053 -11.366 13.941
251 HB2 SER 37 1HB SER 37 -17.854 -10.369 13.484
252 HB3 SER 37 2HB SER 37 -17.559 -11.838 14.413
253 HG SER 37 HG SER 37 -17.630 -9.636 15.508
254 H GLY 38 H GLY 38 -16.468 -11.193 10.804
255 HA2 GLY 38 1HA GLY 38 -17.577 -13.652 10.365
256 HA3 GLY 38 2HA GLY 38 -16.623 -12.799 9.160
257 HA PRO 39 HA PRO 39 -14.491 -16.717 10.992
258 HB2 PRO 39 1HB PRO 39 -15.482 -18.672 9.390
259 HB3 PRO 39 2HB PRO 39 -16.207 -18.244 10.944
260 HG2 PRO 39 1HG PRO 39 -17.029 -17.431 8.183
261 HG3 PRO 39 2HG PRO 39 -18.041 -17.945 9.546
262 HD2 PRO 39 1HD PRO 39 -17.718 -15.343 8.871
263 HD3 PRO 39 2HD PRO 39 -17.964 -15.871 10.548
264 H SER 40 H SER 40 -14.781 -14.942 8.231
265 HA SER 40 HA SER 40 -13.645 -16.088 6.109
266 HB2 SER 40 1HB SER 40 -14.078 -13.688 6.199
267 HB3 SER 40 2HB SER 40 -12.734 -13.466 7.319
268 HG SER 40 HG SER 40 -12.717 -13.902 4.577
269 H SER 41 H SER 41 -11.777 -15.016 8.940
270 HA SER 41 HA SER 41 -9.594 -16.786 8.052
271 HB2 SER 41 1HB SER 41 -9.107 -14.293 8.035
272 HB3 SER 41 2HB SER 41 -9.252 -14.340 9.792
273 HG SER 41 HG SER 41 -7.271 -15.004 9.814
274 H GLY 42 H GLY 42 -8.762 -18.226 9.489
275 HA2 GLY 42 1HA GLY 42 -10.329 -18.831 11.811
276 HA3 GLY 42 2HA GLY 42 -8.887 -19.681 11.276
Start of MODEL 19
1 H1 GLY 1 H GLY 1 9.589 0.987 -19.553
2 HA2 GLY 1 1HA GLY 1 11.190 1.275 -17.921
3 HA3 GLY 1 2HA GLY 1 12.292 1.313 -19.289
4 H SER 2 H SER 2 13.056 3.284 -20.058
5 HA SER 2 HA SER 2 13.280 5.338 -18.109
6 HB2 SER 2 1HB SER 2 14.094 5.245 -21.021
7 HB3 SER 2 2HB SER 2 14.496 6.570 -19.929
8 HG SER 2 HG SER 2 15.294 4.578 -18.601
9 H SER 3 H SER 3 11.092 5.932 -17.715
10 HA SER 3 HA SER 3 9.584 7.170 -19.862
11 HB2 SER 3 1HB SER 3 9.029 6.362 -17.051
12 HB3 SER 3 2HB SER 3 8.068 7.682 -17.717
13 HG SER 3 HG SER 3 7.697 5.118 -18.083
14 H GLY 4 H GLY 4 8.652 9.347 -19.580
15 HA2 GLY 4 1HA GLY 4 10.504 11.345 -19.421
16 HA3 GLY 4 2HA GLY 4 8.795 11.597 -19.099
17 H SER 5 H SER 5 8.063 11.139 -16.857
18 HA SER 5 HA SER 5 10.053 11.155 -14.774
19 HB2 SER 5 1HB SER 5 8.293 13.594 -15.116
20 HB3 SER 5 2HB SER 5 9.461 13.318 -13.825
21 HG SER 5 HG SER 5 9.917 14.490 -16.098
22 H SER 6 H SER 6 9.168 9.611 -13.557
23 HA SER 6 HA SER 6 6.515 10.073 -12.445
24 HB2 SER 6 1HB SER 6 7.279 7.509 -13.861
25 HB3 SER 6 2HB SER 6 5.829 7.721 -12.879
26 HG SER 6 HG SER 6 6.439 9.362 -15.105
27 H GLY 7 H GLY 7 6.042 8.395 -10.693
28 HA2 GLY 7 1HA GLY 7 8.330 7.112 -9.494
29 HA3 GLY 7 2HA GLY 7 7.804 8.551 -8.633
30 H GLU 8 H GLU 8 7.785 5.594 -7.991
31 HA GLU 8 HA GLU 8 4.904 5.272 -7.493
32 HB2 GLU 8 1HB GLU 8 6.235 3.474 -8.741
33 HB3 GLU 8 2HB GLU 8 6.993 3.122 -7.194
34 HG2 GLU 8 1HG GLU 8 4.534 2.926 -6.354
35 HG3 GLU 8 2HG GLU 8 4.176 2.693 -8.064
36 H LYS 9 H LYS 9 4.146 4.788 -5.433
37 HA LYS 9 HA LYS 9 5.615 5.942 -3.282
38 HB2 LYS 9 1HB LYS 9 2.973 4.546 -3.528
39 HB3 LYS 9 2HB LYS 9 3.641 4.883 -1.937
40 HG2 LYS 9 1HG LYS 9 2.297 6.715 -2.308
41 HG3 LYS 9 2HG LYS 9 3.880 7.305 -2.819
42 HD2 LYS 9 1HD LYS 9 2.399 7.990 -4.511
43 HD3 LYS 9 2HD LYS 9 3.212 6.568 -5.167
44 HE2 LYS 9 1HE LYS 9 0.997 6.158 -5.692
45 HE3 LYS 9 2HE LYS 9 1.196 5.271 -4.182
46 HZ1 LYS 9 3HZ LYS 9 -0.420 7.600 -4.756
47 HZ2 LYS 9 1HZ LYS 9 0.432 7.679 -3.297
48 HZ3 LYS 9 2HZ LYS 9 -0.631 6.396 -3.586
49 HA PRO 10 HA PRO 10 7.828 2.449 -1.783
50 HB2 PRO 10 1HB PRO 10 8.081 3.160 0.825
51 HB3 PRO 10 2HB PRO 10 8.997 3.933 -0.474
52 HG2 PRO 10 1HG PRO 10 6.513 4.870 0.910
53 HG3 PRO 10 2HG PRO 10 7.955 5.795 0.451
54 HD2 PRO 10 1HD PRO 10 5.670 5.844 -1.001
55 HD3 PRO 10 2HD PRO 10 7.275 6.007 -1.741
56 H TYR 11 H TYR 11 5.196 3.526 0.373
57 HA TYR 11 HA TYR 11 4.833 0.937 1.520
58 HB2 TYR 11 1HB TYR 11 2.916 3.274 1.556
59 HB3 TYR 11 2HB TYR 11 2.932 1.905 2.662
60 HD1 TYR 11 HD2 TYR 11 4.670 5.002 1.690
61 HD2 TYR 11 HD1 TYR 11 4.463 1.819 4.506
62 HE1 TYR 11 HE2 TYR 11 6.160 6.248 3.199
63 HE2 TYR 11 HE1 TYR 11 5.951 3.057 6.023
64 HH TYR 11 HH TYR 11 7.822 5.572 5.116
65 H VAL 12 H VAL 12 3.580 -0.701 0.875
66 HA VAL 12 HA VAL 12 1.433 -0.229 -1.048
67 HB VAL 12 HB VAL 12 3.716 -2.144 -1.531
68 HG11 VAL 12 1HG1 VAL 12 1.875 -2.114 -3.690
69 HG12 VAL 12 2HG1 VAL 12 2.340 -3.470 -2.660
70 HG13 VAL 12 3HG1 VAL 12 0.975 -2.446 -2.211
71 HG21 VAL 12 3HG2 VAL 12 3.736 0.393 -2.192
72 HG22 VAL 12 1HG2 VAL 12 4.312 -0.832 -3.322
73 HG23 VAL 12 2HG2 VAL 12 2.694 -0.154 -3.505
74 H CYS 13 H CYS 13 -0.237 -0.966 0.114
75 HA CYS 13 HA CYS 13 -0.387 -2.690 2.169
76 HB2 CYS 13 1HB CYS 13 -2.347 -1.534 1.298
77 HB3 CYS 13 2HB CYS 13 -2.334 -2.547 -0.142
78 H SER 14 H SER 14 -0.342 -4.849 2.566
79 HA SER 14 HA SER 14 0.516 -6.559 0.338
80 HB2 SER 14 1HB SER 14 0.783 -7.028 3.318
81 HB3 SER 14 2HB SER 14 1.458 -8.040 2.041
82 HG SER 14 HG SER 14 2.462 -5.861 1.402
83 H ASP 15 H ASP 15 -2.263 -5.857 0.814
84 HA ASP 15 HA ASP 15 -3.318 -8.569 1.252
85 HB2 ASP 15 1HB ASP 15 -4.164 -6.006 2.503
86 HB3 ASP 15 2HB ASP 15 -5.434 -7.136 2.042
87 H CYS 16 H CYS 16 -3.606 -5.468 -0.361
88 HA CYS 16 HA CYS 16 -5.295 -6.758 -2.398
89 HB2 CYS 16 1HB CYS 16 -6.516 -4.681 -2.710
90 HB3 CYS 16 2HB CYS 16 -6.626 -5.183 -1.026
91 H GLY 17 H GLY 17 -3.036 -4.104 -1.713
92 HA2 GLY 17 1HA GLY 17 -1.037 -4.122 -3.225
93 HA3 GLY 17 2HA GLY 17 -2.193 -4.230 -4.543
94 H LYS 18 H LYS 18 -3.115 -2.265 -1.895
95 HA LYS 18 HA LYS 18 -3.192 0.072 -3.529
96 HB2 LYS 18 1HB LYS 18 -4.788 -0.518 -1.640
97 HB3 LYS 18 2HB LYS 18 -3.514 -0.028 -0.531
98 HG2 LYS 18 1HG LYS 18 -4.681 1.916 -0.653
99 HG3 LYS 18 2HG LYS 18 -3.562 2.166 -1.996
100 HD2 LYS 18 1HD LYS 18 -6.140 0.796 -2.560
101 HD3 LYS 18 2HD LYS 18 -6.174 2.536 -2.261
102 HE2 LYS 18 1HE LYS 18 -4.306 2.694 -3.992
103 HE3 LYS 18 2HE LYS 18 -4.715 1.033 -4.417
104 HZ1 LYS 18 3HZ LYS 18 -7.006 1.795 -4.835
105 HZ2 LYS 18 1HZ LYS 18 -5.878 2.530 -5.858
106 HZ3 LYS 18 2HZ LYS 18 -6.517 3.389 -4.549
107 H ALA 19 H ALA 19 -1.856 1.807 -3.594
108 HA ALA 19 HA ALA 19 0.678 1.564 -2.131
109 HB1 ALA 19 3HB ALA 19 1.068 1.658 -4.456
110 HB2 ALA 19 1HB ALA 19 -0.057 2.999 -4.668
111 HB3 ALA 19 2HB ALA 19 1.476 3.257 -3.835
112 H PHE 20 H PHE 20 1.474 3.204 -0.869
113 HA PHE 20 HA PHE 20 -0.118 5.646 -0.598
114 HB2 PHE 20 1HB PHE 20 0.621 3.782 1.661
115 HB3 PHE 20 2HB PHE 20 0.084 5.440 1.909
116 HD1 PHE 20 HD1 PHE 20 -2.216 6.098 1.281
117 HD2 PHE 20 HD2 PHE 20 -0.910 2.048 1.160
118 HE1 PHE 20 HE1 PHE 20 -4.559 5.347 1.231
119 HE2 PHE 20 HE2 PHE 20 -3.251 1.291 1.109
120 HZ PHE 20 HZ PHE 20 -5.079 2.941 1.143
121 H THR 21 H THR 21 1.048 7.454 -0.142
122 HA THR 21 HA THR 21 3.888 7.311 -0.486
123 HB THR 21 HB THR 21 2.236 9.726 0.273
124 HG1 THR 21 HG1 THR 21 1.513 8.757 -1.693
125 HG21 THR 21 3HG2 THR 21 4.848 9.631 -1.223
126 HG22 THR 21 1HG2 THR 21 4.760 9.809 0.529
127 HG23 THR 21 2HG2 THR 21 4.045 11.034 -0.519
128 H PHE 22 H PHE 22 1.719 8.109 2.198
129 HA PHE 22 HA PHE 22 4.028 8.271 3.998
130 HB2 PHE 22 1HB PHE 22 1.141 9.090 4.357
131 HB3 PHE 22 2HB PHE 22 2.341 9.156 5.642
132 HD1 PHE 22 HD1 PHE 22 4.210 10.741 5.515
133 HD2 PHE 22 HD2 PHE 22 1.097 10.711 2.611
134 HE1 PHE 22 HE1 PHE 22 4.894 12.982 4.762
135 HE2 PHE 22 HE2 PHE 22 1.777 12.950 1.854
136 HZ PHE 22 HZ PHE 22 3.678 14.089 2.929
137 H LYS 23 H LYS 23 4.144 7.038 5.895
138 HA LYS 23 HA LYS 23 3.320 4.366 5.678
139 HB2 LYS 23 1HB LYS 23 5.253 4.862 6.981
140 HB3 LYS 23 2HB LYS 23 4.357 5.972 8.011
141 HG2 LYS 23 1HG LYS 23 3.009 3.995 8.785
142 HG3 LYS 23 2HG LYS 23 4.167 2.973 7.929
143 HD2 LYS 23 1HD LYS 23 5.230 5.010 9.816
144 HD3 LYS 23 2HD LYS 23 4.456 3.576 10.495
145 HE2 LYS 23 1HE LYS 23 6.517 3.287 8.350
146 HE3 LYS 23 2HE LYS 23 7.018 3.574 10.015
147 HZ1 LYS 23 3HZ LYS 23 6.348 1.533 10.665
148 HZ2 LYS 23 1HZ LYS 23 6.614 1.156 9.037
149 HZ3 LYS 23 2HZ LYS 23 5.046 1.474 9.587
150 H SER 24 H SER 24 2.194 6.869 7.958
151 HA SER 24 HA SER 24 0.245 5.532 9.293
152 HB2 SER 24 1HB SER 24 0.673 7.803 9.879
153 HB3 SER 24 2HB SER 24 0.233 8.374 8.270
154 HG SER 24 HG SER 24 -1.762 8.453 8.896
155 H GLN 25 H GLN 25 -0.231 7.215 6.189
156 HA GLN 25 HA GLN 25 -2.874 6.696 5.733
157 HB2 GLN 25 1HB GLN 25 -0.551 6.772 3.819
158 HB3 GLN 25 2HB GLN 25 -2.208 6.578 3.263
159 HG2 GLN 25 1HG GLN 25 -2.570 8.722 4.774
160 HG3 GLN 25 2HG GLN 25 -0.857 8.944 4.424
161 HE21 GLN 25 1HE2 GLN 25 -1.009 7.687 1.825
162 HE22 GLN 25 2HE2 GLN 25 -1.804 8.809 0.781
163 H LEU 26 H LEU 26 -0.144 4.521 5.137
164 HA LEU 26 HA LEU 26 -1.698 2.439 3.992
165 HB2 LEU 26 1HB LEU 26 0.631 2.500 3.528
166 HB3 LEU 26 2HB LEU 26 1.036 2.499 5.243
167 HG LEU 26 HG LEU 26 0.093 0.168 5.355
168 HD11 LEU 26 1HD1 LEU 26 -1.280 -0.049 3.492
169 HD12 LEU 26 2HD1 LEU 26 0.151 -0.980 3.054
170 HD13 LEU 26 3HD1 LEU 26 -0.078 0.642 2.402
171 HD21 LEU 26 3HD2 LEU 26 2.225 -0.433 5.237
172 HD22 LEU 26 1HD2 LEU 26 2.594 1.108 4.463
173 HD23 LEU 26 2HD2 LEU 26 2.198 -0.301 3.478
174 H ILE 27 H ILE 27 -0.195 2.750 7.213
175 HA ILE 27 HA ILE 27 -1.114 0.466 8.403
176 HB ILE 27 HB ILE 27 -0.953 3.188 9.703
177 HG12 ILE 27 1HG1 ILE 27 1.129 1.012 9.775
178 HG13 ILE 27 2HG1 ILE 27 1.113 2.232 8.507
179 HG21 ILE 27 1HG2 ILE 27 -0.316 1.079 11.483
180 HG22 ILE 27 2HG2 ILE 27 -1.657 2.220 11.569
181 HG23 ILE 27 3HG2 ILE 27 -1.855 0.691 10.714
182 HD11 ILE 27 3HD1 ILE 27 1.239 2.864 11.443
183 HD12 ILE 27 1HD1 ILE 27 2.651 2.716 10.397
184 HD13 ILE 27 2HD1 ILE 27 1.456 3.978 10.092
185 H VAL 28 H VAL 28 -2.880 3.483 7.907
186 HA VAL 28 HA VAL 28 -5.197 2.657 9.362
187 HB VAL 28 HB VAL 28 -4.897 4.851 7.306
188 HG11 VAL 28 1HG1 VAL 28 -7.117 4.136 9.200
189 HG12 VAL 28 2HG1 VAL 28 -6.927 5.766 8.549
190 HG13 VAL 28 3HG1 VAL 28 -7.198 4.405 7.459
191 HG21 VAL 28 3HG2 VAL 28 -5.155 5.499 10.166
192 HG22 VAL 28 1HG2 VAL 28 -3.642 4.723 9.697
193 HG23 VAL 28 2HG2 VAL 28 -4.138 6.228 8.922
194 H HIS 29 H HIS 29 -4.194 2.552 5.994
195 HA HIS 29 HA HIS 29 -6.690 1.849 4.882
196 HB2 HIS 29 1HB HIS 29 -5.093 2.603 3.339
197 HB3 HIS 29 2HB HIS 29 -3.843 1.534 3.970
198 HD1 HIS 29 HD1 HIS 29 -6.720 1.636 1.608
199 HD2 HIS 29 HD2 HIS 29 -3.932 -1.110 3.003
200 HE1 HIS 29 HE1 HIS 29 -6.888 -0.338 0.059
201 H GLN 30 H GLN 30 -3.862 -0.230 5.535
202 HA GLN 30 HA GLN 30 -4.765 -2.681 4.951
203 HB2 GLN 30 1HB GLN 30 -3.291 -1.880 7.462
204 HB3 GLN 30 2HB GLN 30 -3.492 -3.546 6.936
205 HG2 GLN 30 1HG GLN 30 -2.387 -2.818 4.761
206 HG3 GLN 30 2HG GLN 30 -1.930 -1.350 5.624
207 HE21 GLN 30 1HE2 GLN 30 0.244 -1.717 5.603
208 HE22 GLN 30 2HE2 GLN 30 1.002 -2.997 6.482
209 H GLY 31 H GLY 31 -5.969 -0.669 7.522
210 HA2 GLY 31 1HA GLY 31 -7.276 -2.566 9.101
211 HA3 GLY 31 2HA GLY 31 -7.776 -0.891 8.918
212 H ILE 32 H ILE 32 -8.486 -0.792 6.268
213 HA ILE 32 HA ILE 32 -11.094 -1.532 6.196
214 HB ILE 32 HB ILE 32 -11.072 -1.328 3.812
215 HG12 ILE 32 1HG1 ILE 32 -8.097 -1.263 3.640
216 HG13 ILE 32 2HG1 ILE 32 -8.876 -2.836 3.767
217 HG21 ILE 32 1HG2 ILE 32 -9.644 0.515 5.518
218 HG22 ILE 32 2HG2 ILE 32 -9.094 0.625 3.846
219 HG23 ILE 32 3HG2 ILE 32 -10.802 0.841 4.228
220 HD11 ILE 32 3HD1 ILE 32 -9.679 -2.748 1.677
221 HD12 ILE 32 1HD1 ILE 32 -10.033 -1.023 1.770
222 HD13 ILE 32 2HD1 ILE 32 -8.387 -1.569 1.446
223 H HIS 33 H HIS 33 -8.368 -3.614 5.866
224 HA HIS 33 HA HIS 33 -9.907 -5.795 4.722
225 HB2 HIS 33 1HB HIS 33 -7.043 -5.681 5.689
226 HB3 HIS 33 2HB HIS 33 -7.782 -7.059 4.879
227 HD1 HIS 33 HD1 HIS 33 -9.236 -5.568 2.600
228 HD2 HIS 33 HD2 HIS 33 -5.314 -4.834 3.759
229 HE1 HIS 33 HE1 HIS 33 -8.123 -4.537 0.594
230 H THR 34 H THR 34 -7.721 -5.765 7.529
231 HA THR 34 HA THR 34 -8.695 -7.930 8.863
232 HB THR 34 HB THR 34 -6.749 -6.875 9.728
233 HG1 THR 34 HG1 THR 34 -7.267 -6.850 11.898
234 HG21 THR 34 3HG2 THR 34 -8.383 -4.472 10.523
235 HG22 THR 34 1HG2 THR 34 -7.473 -4.554 9.015
236 HG23 THR 34 2HG2 THR 34 -6.630 -4.656 10.561
237 H GLY 35 H GLY 35 -10.059 -4.686 8.806
238 HA2 GLY 35 1HA GLY 35 -11.793 -4.529 10.833
239 HA3 GLY 35 2HA GLY 35 -12.273 -4.091 9.201
240 H VAL 36 H VAL 36 -12.261 -6.648 8.034
241 HA VAL 36 HA VAL 36 -14.837 -7.547 8.674
242 HB VAL 36 HB VAL 36 -12.640 -9.018 7.212
243 HG11 VAL 36 1HG1 VAL 36 -14.212 -10.555 6.454
244 HG12 VAL 36 2HG1 VAL 36 -14.642 -10.346 8.153
245 HG13 VAL 36 3HG1 VAL 36 -15.575 -9.528 6.898
246 HG21 VAL 36 3HG2 VAL 36 -12.961 -7.463 5.647
247 HG22 VAL 36 1HG2 VAL 36 -14.562 -8.162 5.405
248 HG23 VAL 36 2HG2 VAL 36 -14.353 -6.793 6.498
249 H SER 37 H SER 37 -15.229 -8.211 10.719
250 HA SER 37 HA SER 37 -13.439 -10.195 11.926
251 HB2 SER 37 1HB SER 37 -15.606 -8.444 13.097
252 HB3 SER 37 2HB SER 37 -14.798 -9.718 14.010
253 HG SER 37 HG SER 37 -13.325 -7.716 12.676
254 H GLY 38 H GLY 38 -14.353 -12.067 12.992
255 HA2 GLY 38 1HA GLY 38 -17.046 -12.865 12.655
256 HA3 GLY 38 2HA GLY 38 -16.065 -13.553 11.368
257 HA PRO 39 HA PRO 39 -15.697 -15.834 15.601
258 HB2 PRO 39 1HB PRO 39 -17.783 -17.566 15.465
259 HB3 PRO 39 2HB PRO 39 -17.899 -15.982 16.241
260 HG2 PRO 39 1HG PRO 39 -18.774 -16.820 13.503
261 HG3 PRO 39 2HG PRO 39 -19.616 -15.798 14.683
262 HD2 PRO 39 1HD PRO 39 -18.254 -14.774 12.578
263 HD3 PRO 39 2HD PRO 39 -18.381 -13.931 14.135
264 H SER 40 H SER 40 -16.191 -16.579 12.289
265 HA SER 40 HA SER 40 -14.192 -18.598 12.301
266 HB2 SER 40 1HB SER 40 -17.067 -19.431 12.244
267 HB3 SER 40 2HB SER 40 -15.897 -20.331 11.279
268 HG SER 40 HG SER 40 -15.688 -21.344 13.139
269 H SER 41 H SER 41 -13.496 -19.139 10.224
270 HA SER 41 HA SER 41 -13.508 -17.308 8.260
271 HB2 SER 41 1HB SER 41 -12.161 -19.406 8.254
272 HB3 SER 41 2HB SER 41 -13.591 -20.285 7.714
273 HG SER 41 HG SER 41 -13.482 -18.426 6.010
274 H GLY 42 H GLY 42 -15.725 -20.110 8.223
275 HA2 GLY 42 1HA GLY 42 -18.105 -19.697 7.832
276 HA3 GLY 42 2HA GLY 42 -17.628 -18.427 6.714
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -9.532 1.918 -20.462
2 HA2 GLY 1 1HA GLY 1 -9.283 0.751 -17.757
3 HA3 GLY 1 2HA GLY 1 -8.830 -0.131 -19.208
4 H SER 2 H SER 2 -7.420 1.682 -20.645
5 HA SER 2 HA SER 2 -4.918 1.682 -19.310
6 HB2 SER 2 1HB SER 2 -5.916 2.684 -21.947
7 HB3 SER 2 2HB SER 2 -4.331 3.209 -21.380
8 HG SER 2 HG SER 2 -3.752 1.381 -22.279
9 H SER 3 H SER 3 -4.449 3.004 -17.686
10 HA SER 3 HA SER 3 -5.444 5.772 -17.779
11 HB2 SER 3 1HB SER 3 -4.469 4.157 -15.409
12 HB3 SER 3 2HB SER 3 -5.068 5.814 -15.342
13 HG SER 3 HG SER 3 -6.875 4.347 -16.609
14 H GLY 4 H GLY 4 -2.582 3.906 -16.748
15 HA2 GLY 4 1HA GLY 4 -0.340 4.381 -16.973
16 HA3 GLY 4 2HA GLY 4 -0.783 5.670 -18.081
17 H SER 5 H SER 5 0.848 5.137 -15.361
18 HA SER 5 HA SER 5 0.415 7.875 -14.419
19 HB2 SER 5 1HB SER 5 0.239 5.381 -12.740
20 HB3 SER 5 2HB SER 5 0.687 6.932 -12.029
21 HG SER 5 HG SER 5 -1.433 7.053 -11.867
22 H SER 6 H SER 6 2.220 8.845 -13.475
23 HA SER 6 HA SER 6 4.747 7.475 -14.057
24 HB2 SER 6 1HB SER 6 4.477 9.634 -15.148
25 HB3 SER 6 2HB SER 6 4.145 10.407 -13.598
26 HG SER 6 HG SER 6 6.522 9.828 -14.751
27 H GLY 7 H GLY 7 3.242 9.492 -11.536
28 HA2 GLY 7 1HA GLY 7 5.192 9.456 -9.612
29 HA3 GLY 7 2HA GLY 7 3.473 9.421 -9.246
30 H GLU 8 H GLU 8 5.503 8.194 -7.687
31 HA GLU 8 HA GLU 8 4.491 5.465 -7.718
32 HB2 GLU 8 1HB GLU 8 6.741 4.487 -7.529
33 HB3 GLU 8 2HB GLU 8 6.506 5.299 -9.071
34 HG2 GLU 8 1HG GLU 8 7.592 7.322 -7.777
35 HG3 GLU 8 2HG GLU 8 8.261 6.023 -6.791
36 H LYS 9 H LYS 9 4.414 4.518 -5.716
37 HA LYS 9 HA LYS 9 5.345 6.180 -3.466
38 HB2 LYS 9 1HB LYS 9 2.797 4.724 -3.946
39 HB3 LYS 9 2HB LYS 9 3.417 4.736 -2.301
40 HG2 LYS 9 1HG LYS 9 2.012 6.571 -2.348
41 HG3 LYS 9 2HG LYS 9 3.602 7.285 -2.622
42 HD2 LYS 9 1HD LYS 9 2.395 8.318 -4.275
43 HD3 LYS 9 2HD LYS 9 2.975 6.898 -5.149
44 HE2 LYS 9 1HE LYS 9 0.730 6.917 -5.692
45 HE3 LYS 9 2HE LYS 9 0.766 5.811 -4.319
46 HZ1 LYS 9 3HZ LYS 9 0.178 7.754 -2.902
47 HZ2 LYS 9 1HZ LYS 9 -1.028 7.306 -4.000
48 HZ3 LYS 9 2HZ LYS 9 -0.062 8.659 -4.311
49 HA PRO 10 HA PRO 10 7.845 2.765 -2.236
50 HB2 PRO 10 1HB PRO 10 8.210 3.447 0.367
51 HB3 PRO 10 2HB PRO 10 9.017 4.280 -0.967
52 HG2 PRO 10 1HG PRO 10 6.575 5.082 0.568
53 HG3 PRO 10 2HG PRO 10 7.946 6.078 0.047
54 HD2 PRO 10 1HD PRO 10 5.584 6.046 -1.276
55 HD3 PRO 10 2HD PRO 10 7.136 6.293 -2.100
56 H TYR 11 H TYR 11 5.359 3.686 0.158
57 HA TYR 11 HA TYR 11 5.151 1.046 1.217
58 HB2 TYR 11 1HB TYR 11 3.138 3.278 1.509
59 HB3 TYR 11 2HB TYR 11 3.382 1.908 2.586
60 HD1 TYR 11 HD2 TYR 11 4.688 5.165 1.518
61 HD2 TYR 11 HD1 TYR 11 5.198 1.888 4.184
62 HE1 TYR 11 HE2 TYR 11 6.250 6.509 2.862
63 HE2 TYR 11 HE1 TYR 11 6.760 3.224 5.536
64 HH TYR 11 HH TYR 11 8.306 5.784 4.566
65 H VAL 12 H VAL 12 3.899 -0.603 0.604
66 HA VAL 12 HA VAL 12 1.618 -0.105 -1.164
67 HB VAL 12 HB VAL 12 3.794 -2.114 -1.763
68 HG11 VAL 12 1HG1 VAL 12 2.460 -3.123 -3.276
69 HG12 VAL 12 2HG1 VAL 12 1.168 -2.495 -2.251
70 HG13 VAL 12 3HG1 VAL 12 1.640 -1.624 -3.711
71 HG21 VAL 12 3HG2 VAL 12 4.659 -0.658 -3.221
72 HG22 VAL 12 1HG2 VAL 12 3.069 -0.205 -3.836
73 HG23 VAL 12 2HG2 VAL 12 3.708 0.569 -2.385
74 H CYS 13 H CYS 13 -0.047 -0.914 -0.073
75 HA CYS 13 HA CYS 13 -0.042 -2.663 2.029
76 HB2 CYS 13 1HB CYS 13 -2.023 -1.397 1.379
77 HB3 CYS 13 2HB CYS 13 -2.180 -2.356 -0.089
78 H SER 14 H SER 14 0.581 -4.698 2.245
79 HA SER 14 HA SER 14 0.991 -6.368 -0.079
80 HB2 SER 14 1HB SER 14 1.576 -6.692 2.860
81 HB3 SER 14 2HB SER 14 1.773 -8.029 1.727
82 HG SER 14 HG SER 14 3.429 -7.027 0.799
83 H ASP 15 H ASP 15 -1.751 -5.595 0.993
84 HA ASP 15 HA ASP 15 -2.826 -8.297 1.434
85 HB2 ASP 15 1HB ASP 15 -3.283 -6.307 3.051
86 HB3 ASP 15 2HB ASP 15 -4.416 -5.778 1.810
87 H CYS 16 H CYS 16 -3.637 -5.271 -0.271
88 HA CYS 16 HA CYS 16 -4.992 -6.901 -2.318
89 HB2 CYS 16 1HB CYS 16 -6.310 -4.860 -2.835
90 HB3 CYS 16 2HB CYS 16 -6.558 -5.436 -1.190
91 H GLY 17 H GLY 17 -2.891 -4.108 -1.769
92 HA2 GLY 17 1HA GLY 17 -0.914 -4.062 -3.294
93 HA3 GLY 17 2HA GLY 17 -2.066 -4.292 -4.601
94 H LYS 18 H LYS 18 -2.775 -2.224 -1.887
95 HA LYS 18 HA LYS 18 -3.024 0.038 -3.686
96 HB2 LYS 18 1HB LYS 18 -4.734 -0.530 -1.923
97 HB3 LYS 18 2HB LYS 18 -3.553 -0.047 -0.713
98 HG2 LYS 18 1HG LYS 18 -3.643 2.193 -1.341
99 HG3 LYS 18 2HG LYS 18 -4.367 1.821 -2.908
100 HD2 LYS 18 1HD LYS 18 -6.464 1.358 -1.947
101 HD3 LYS 18 2HD LYS 18 -5.784 1.238 -0.322
102 HE2 LYS 18 1HE LYS 18 -6.863 3.318 -0.366
103 HE3 LYS 18 2HE LYS 18 -5.156 3.695 -0.587
104 HZ1 LYS 18 3HZ LYS 18 -7.026 4.703 -2.131
105 HZ2 LYS 18 1HZ LYS 18 -6.753 3.273 -2.993
106 HZ3 LYS 18 2HZ LYS 18 -5.479 4.350 -2.717
107 H ALA 19 H ALA 19 -1.541 1.571 -3.944
108 HA ALA 19 HA ALA 19 0.869 1.516 -2.337
109 HB1 ALA 19 3HB ALA 19 1.122 3.642 -4.069
110 HB2 ALA 19 1HB ALA 19 1.680 1.994 -4.359
111 HB3 ALA 19 2HB ALA 19 0.104 2.511 -4.961
112 H PHE 20 H PHE 20 1.714 3.301 -1.196
113 HA PHE 20 HA PHE 20 -0.054 5.566 -0.704
114 HB2 PHE 20 1HB PHE 20 1.002 3.835 1.541
115 HB3 PHE 20 2HB PHE 20 0.057 5.309 1.724
116 HD1 PHE 20 HD2 PHE 20 -0.043 1.796 0.640
117 HD2 PHE 20 HD1 PHE 20 -2.306 5.304 1.473
118 HE1 PHE 20 HE2 PHE 20 -2.114 0.471 0.577
119 HE2 PHE 20 HE1 PHE 20 -4.381 3.983 1.413
120 HZ PHE 20 HZ PHE 20 -4.287 1.564 0.963
121 H THR 21 H THR 21 0.998 7.417 -0.025
122 HA THR 21 HA THR 21 3.824 7.498 -0.565
123 HB THR 21 HB THR 21 1.980 9.706 0.371
124 HG1 THR 21 HG1 THR 21 1.407 9.837 -1.658
125 HG21 THR 21 3HG2 THR 21 3.851 11.081 -0.798
126 HG22 THR 21 1HG2 THR 21 4.842 9.652 -0.513
127 HG23 THR 21 2HG2 THR 21 4.109 10.502 0.847
128 H PHE 22 H PHE 22 1.747 8.038 2.260
129 HA PHE 22 HA PHE 22 4.144 8.118 3.956
130 HB2 PHE 22 1HB PHE 22 1.317 9.070 4.396
131 HB3 PHE 22 2HB PHE 22 2.476 8.929 5.714
132 HD1 PHE 22 HD2 PHE 22 2.511 10.286 2.233
133 HD2 PHE 22 HD1 PHE 22 3.405 10.917 6.346
134 HE1 PHE 22 HE2 PHE 22 3.386 12.522 1.696
135 HE2 PHE 22 HE1 PHE 22 4.280 13.155 5.816
136 HZ PHE 22 HZ PHE 22 4.272 13.959 3.489
137 H LYS 23 H LYS 23 4.309 6.807 5.795
138 HA LYS 23 HA LYS 23 3.366 4.175 5.512
139 HB2 LYS 23 1HB LYS 23 5.430 4.702 6.706
140 HB3 LYS 23 2HB LYS 23 4.518 5.560 7.941
141 HG2 LYS 23 1HG LYS 23 5.053 3.457 8.854
142 HG3 LYS 23 2HG LYS 23 3.344 3.382 8.421
143 HD2 LYS 23 1HD LYS 23 4.016 2.285 6.278
144 HD3 LYS 23 2HD LYS 23 5.670 2.221 6.892
145 HE2 LYS 23 1HE LYS 23 4.955 0.847 8.755
146 HE3 LYS 23 2HE LYS 23 3.274 0.979 8.241
147 HZ1 LYS 23 3HZ LYS 23 4.615 -1.108 7.612
148 HZ2 LYS 23 1HZ LYS 23 5.298 -0.131 6.411
149 HZ3 LYS 23 2HZ LYS 23 3.628 -0.393 6.439
150 H SER 24 H SER 24 2.410 6.742 7.783
151 HA SER 24 HA SER 24 0.533 5.412 9.276
152 HB2 SER 24 1HB SER 24 1.099 7.671 9.840
153 HB3 SER 24 2HB SER 24 0.520 8.268 8.285
154 HG SER 24 HG SER 24 -1.307 8.539 9.271
155 H GLN 25 H GLN 25 0.024 7.023 6.150
156 HA GLN 25 HA GLN 25 -2.684 6.686 5.846
157 HB2 GLN 25 1HB GLN 25 -0.458 6.565 3.820
158 HB3 GLN 25 2HB GLN 25 -2.151 6.478 3.354
159 HG2 GLN 25 1HG GLN 25 -2.408 8.667 4.676
160 HG3 GLN 25 2HG GLN 25 -0.651 8.760 4.572
161 HE21 GLN 25 1HE2 GLN 25 -3.365 9.846 3.200
162 HE22 GLN 25 2HE2 GLN 25 -2.821 10.101 1.580
163 H LEU 26 H LEU 26 -0.129 4.348 5.066
164 HA LEU 26 HA LEU 26 -1.841 2.340 4.071
165 HB2 LEU 26 1HB LEU 26 0.460 2.217 3.537
166 HB3 LEU 26 2HB LEU 26 0.929 2.269 5.235
167 HG LEU 26 HG LEU 26 -0.025 0.012 5.537
168 HD11 LEU 26 1HD1 LEU 26 -0.480 -1.288 3.427
169 HD12 LEU 26 2HD1 LEU 26 -0.548 0.261 2.586
170 HD13 LEU 26 3HD1 LEU 26 -1.701 -0.095 3.871
171 HD21 LEU 26 3HD2 LEU 26 1.969 -0.848 5.037
172 HD22 LEU 26 1HD2 LEU 26 2.370 0.733 4.364
173 HD23 LEU 26 2HD2 LEU 26 1.757 -0.542 3.312
174 H ILE 27 H ILE 27 -0.249 2.632 7.250
175 HA ILE 27 HA ILE 27 -1.192 0.451 8.549
176 HB ILE 27 HB ILE 27 -1.081 3.239 9.707
177 HG12 ILE 27 1HG1 ILE 27 1.003 1.065 9.895
178 HG13 ILE 27 2HG1 ILE 27 1.018 2.279 8.620
179 HG21 ILE 27 1HG2 ILE 27 -2.010 0.810 10.837
180 HG22 ILE 27 2HG2 ILE 27 -0.477 1.216 11.605
181 HG23 ILE 27 3HG2 ILE 27 -1.804 2.377 11.619
182 HD11 ILE 27 3HD1 ILE 27 2.083 3.671 9.959
183 HD12 ILE 27 1HD1 ILE 27 0.746 3.613 11.108
184 HD13 ILE 27 2HD1 ILE 27 2.069 2.453 11.234
185 H VAL 28 H VAL 28 -2.969 3.498 8.119
186 HA VAL 28 HA VAL 28 -5.295 2.669 9.502
187 HB VAL 28 HB VAL 28 -4.998 4.786 7.366
188 HG11 VAL 28 1HG1 VAL 28 -7.340 3.830 7.941
189 HG12 VAL 28 2HG1 VAL 28 -7.153 4.741 9.440
190 HG13 VAL 28 3HG1 VAL 28 -7.110 5.577 7.888
191 HG21 VAL 28 3HG2 VAL 28 -3.587 5.404 9.137
192 HG22 VAL 28 1HG2 VAL 28 -5.084 6.290 9.429
193 HG23 VAL 28 2HG2 VAL 28 -4.725 4.835 10.357
194 H HIS 29 H HIS 29 -4.532 2.825 6.029
195 HA HIS 29 HA HIS 29 -6.916 1.950 4.973
196 HB2 HIS 29 1HB HIS 29 -5.339 2.598 3.388
197 HB3 HIS 29 2HB HIS 29 -4.066 1.613 4.103
198 HD1 HIS 29 HD1 HIS 29 -7.102 1.341 1.895
199 HD2 HIS 29 HD2 HIS 29 -3.864 -0.959 3.116
200 HE1 HIS 29 HE1 HIS 29 -7.136 -0.701 0.427
201 H GLN 30 H GLN 30 -4.131 -0.158 5.716
202 HA GLN 30 HA GLN 30 -5.047 -2.611 5.206
203 HB2 GLN 30 1HB GLN 30 -3.616 -1.702 7.701
204 HB3 GLN 30 2HB GLN 30 -3.882 -3.398 7.319
205 HG2 GLN 30 1HG GLN 30 -2.664 -3.039 5.180
206 HG3 GLN 30 2HG GLN 30 -2.284 -1.407 5.729
207 HE21 GLN 30 1HE2 GLN 30 -0.070 -1.884 5.640
208 HE22 GLN 30 2HE2 GLN 30 0.697 -2.845 6.853
209 H GLY 31 H GLY 31 -6.049 -0.673 7.993
210 HA2 GLY 31 1HA GLY 31 -7.508 -2.438 9.469
211 HA3 GLY 31 2HA GLY 31 -8.000 -0.770 9.218
212 H ILE 32 H ILE 32 -8.671 -0.747 6.565
213 HA ILE 32 HA ILE 32 -11.278 -1.536 6.489
214 HB ILE 32 HB ILE 32 -11.230 -1.349 4.091
215 HG12 ILE 32 1HG1 ILE 32 -8.760 -0.919 3.157
216 HG13 ILE 32 2HG1 ILE 32 -8.356 -2.021 4.469
217 HG21 ILE 32 1HG2 ILE 32 -10.145 0.830 3.834
218 HG22 ILE 32 2HG2 ILE 32 -11.025 0.720 5.358
219 HG23 ILE 32 3HG2 ILE 32 -9.268 0.569 5.342
220 HD11 ILE 32 3HD1 ILE 32 -9.272 -2.650 1.893
221 HD12 ILE 32 1HD1 ILE 32 -8.957 -3.749 3.236
222 HD13 ILE 32 2HD1 ILE 32 -10.569 -3.071 3.011
223 H HIS 33 H HIS 33 -8.453 -3.500 5.863
224 HA HIS 33 HA HIS 33 -9.869 -5.707 4.729
225 HB2 HIS 33 1HB HIS 33 -7.095 -5.412 5.878
226 HB3 HIS 33 2HB HIS 33 -7.700 -6.942 5.249
227 HD1 HIS 33 HD1 HIS 33 -8.912 -6.332 2.654
228 HD2 HIS 33 HD2 HIS 33 -5.545 -4.294 3.984
229 HE1 HIS 33 HE1 HIS 33 -7.822 -5.412 0.583
230 H THR 34 H THR 34 -8.454 -5.086 7.934
231 HA THR 34 HA THR 34 -9.522 -7.510 9.043
232 HB THR 34 HB THR 34 -8.768 -6.511 11.237
233 HG1 THR 34 HG1 THR 34 -8.907 -4.279 10.215
234 HG21 THR 34 3HG2 THR 34 -6.320 -6.256 9.742
235 HG22 THR 34 1HG2 THR 34 -7.280 -7.598 9.124
236 HG23 THR 34 2HG2 THR 34 -6.834 -7.545 10.830
237 H GLY 35 H GLY 35 -11.773 -7.270 8.571
238 HA2 GLY 35 1HA GLY 35 -13.277 -5.075 9.640
239 HA3 GLY 35 2HA GLY 35 -13.934 -6.548 8.942
240 H VAL 36 H VAL 36 -14.997 -7.832 10.287
241 HA VAL 36 HA VAL 36 -14.612 -7.458 13.172
242 HB VAL 36 HB VAL 36 -16.872 -8.802 11.682
243 HG11 VAL 36 1HG1 VAL 36 -17.587 -8.118 14.330
244 HG12 VAL 36 2HG1 VAL 36 -17.451 -9.727 13.615
245 HG13 VAL 36 3HG1 VAL 36 -16.057 -8.992 14.408
246 HG21 VAL 36 3HG2 VAL 36 -16.985 -6.458 11.300
247 HG22 VAL 36 1HG2 VAL 36 -18.168 -6.829 12.554
248 HG23 VAL 36 2HG2 VAL 36 -16.623 -6.099 12.988
249 H SER 37 H SER 37 -12.641 -8.728 13.153
250 HA SER 37 HA SER 37 -11.404 -10.680 13.115
251 HB2 SER 37 1HB SER 37 -13.770 -11.139 14.912
252 HB3 SER 37 2HB SER 37 -12.541 -12.389 14.715
253 HG SER 37 HG SER 37 -12.356 -10.619 16.445
254 H GLY 38 H GLY 38 -12.944 -10.516 10.767
255 HA2 GLY 38 1HA GLY 38 -12.962 -13.275 10.002
256 HA3 GLY 38 2HA GLY 38 -14.586 -12.614 10.107
257 HA PRO 39 HA PRO 39 -12.161 -10.319 6.563
258 HB2 PRO 39 1HB PRO 39 -10.098 -11.748 5.527
259 HB3 PRO 39 2HB PRO 39 -9.895 -10.579 6.838
260 HG2 PRO 39 1HG PRO 39 -10.122 -13.561 6.977
261 HG3 PRO 39 2HG PRO 39 -9.020 -12.481 7.851
262 HD2 PRO 39 1HD PRO 39 -11.259 -13.504 8.980
263 HD3 PRO 39 2HD PRO 39 -10.620 -11.903 9.407
264 H SER 40 H SER 40 -13.466 -13.326 6.910
265 HA SER 40 HA SER 40 -13.389 -14.743 4.634
266 HB2 SER 40 1HB SER 40 -14.891 -15.284 6.505
267 HB3 SER 40 2HB SER 40 -15.946 -13.947 6.049
268 HG SER 40 HG SER 40 -15.309 -16.112 4.332
269 H SER 41 H SER 41 -13.179 -13.976 2.629
270 HA SER 41 HA SER 41 -15.183 -12.033 1.683
271 HB2 SER 41 1HB SER 41 -13.467 -11.142 0.144
272 HB3 SER 41 2HB SER 41 -12.988 -10.962 1.831
273 HG SER 41 HG SER 41 -11.837 -12.433 -0.174
274 H GLY 42 H GLY 42 -15.651 -14.760 1.569
275 HA2 GLY 42 1HA GLY 42 -16.781 -15.823 -0.286
276 HA3 GLY 42 2HA GLY 42 -15.515 -15.213 -1.341
Contact the webmaster for help, if required. Monday, May 13, 2024 10:54:03 PM GMT (wattos1)