Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505712 | 2yto RC | 11171 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -11.505 23.093 -18.783
2 HA2 GLY 1 1HA GLY 1 -10.610 20.551 -19.980
3 HA3 GLY 1 2HA GLY 1 -9.438 21.734 -19.418
4 H SER 2 H SER 2 -8.880 19.622 -18.222
5 HA SER 2 HA SER 2 -10.237 19.705 -15.610
6 HB2 SER 2 1HB SER 2 -10.918 17.656 -16.741
7 HB3 SER 2 2HB SER 2 -9.233 17.243 -17.060
8 HG SER 2 HG SER 2 -10.033 16.146 -15.227
9 H SER 3 H SER 3 -8.768 20.824 -14.451
10 HA SER 3 HA SER 3 -6.034 19.728 -14.343
11 HB2 SER 3 1HB SER 3 -5.366 22.125 -13.705
12 HB3 SER 3 2HB SER 3 -5.766 21.827 -15.396
13 HG SER 3 HG SER 3 -7.767 22.665 -13.611
14 H GLY 4 H GLY 4 -8.869 20.587 -12.669
15 HA2 GLY 4 1HA GLY 4 -9.110 19.599 -10.439
16 HA3 GLY 4 2HA GLY 4 -7.477 20.150 -10.100
17 H SER 5 H SER 5 -7.291 21.962 -8.968
18 HA SER 5 HA SER 5 -7.886 23.826 -7.797
19 HB2 SER 5 1HB SER 5 -7.712 24.614 -10.248
20 HB3 SER 5 2HB SER 5 -9.475 24.655 -10.218
21 HG SER 5 HG SER 5 -7.785 26.481 -9.312
22 H SER 6 H SER 6 -9.589 21.572 -7.424
23 HA SER 6 HA SER 6 -12.086 22.962 -6.721
24 HB2 SER 6 1HB SER 6 -12.369 21.414 -8.692
25 HB3 SER 6 2HB SER 6 -11.948 20.078 -7.621
26 HG SER 6 HG SER 6 -13.771 20.481 -6.420
27 H GLY 7 H GLY 7 -10.334 19.904 -6.140
28 HA2 GLY 7 1HA GLY 7 -11.422 19.313 -3.655
29 HA3 GLY 7 2HA GLY 7 -9.826 18.807 -4.188
30 H THR 8 H THR 8 -11.469 20.498 -1.872
31 HA THR 8 HA THR 8 -9.689 22.660 -1.385
32 HB THR 8 HB THR 8 -11.957 22.717 -0.506
33 HG1 THR 8 HG1 THR 8 -10.639 23.946 0.740
34 HG21 THR 8 3HG2 THR 8 -11.133 20.490 1.357
35 HG22 THR 8 1HG2 THR 8 -12.137 20.265 -0.074
36 HG23 THR 8 2HG2 THR 8 -12.713 21.267 1.258
37 H GLY 9 H GLY 9 -9.958 19.372 -0.090
38 HA2 GLY 9 1HA GLY 9 -8.139 19.454 1.971
39 HA3 GLY 9 2HA GLY 9 -8.388 18.048 0.945
40 H GLU 10 H GLU 10 -5.934 18.397 1.988
41 HA GLU 10 HA GLU 10 -4.349 19.381 -0.294
42 HB2 GLU 10 1HB GLU 10 -2.518 19.800 1.342
43 HB3 GLU 10 2HB GLU 10 -3.935 20.808 1.597
44 HG2 GLU 10 1HG GLU 10 -4.642 19.054 3.318
45 HG3 GLU 10 2HG GLU 10 -2.980 18.477 3.215
46 H LYS 11 H LYS 11 -5.153 16.926 -0.655
47 HA LYS 11 HA LYS 11 -2.858 15.245 0.112
48 HB2 LYS 11 1HB LYS 11 -5.782 14.550 -0.016
49 HB3 LYS 11 2HB LYS 11 -4.543 13.310 -0.150
50 HG2 LYS 11 1HG LYS 11 -4.933 13.225 2.087
51 HG3 LYS 11 2HG LYS 11 -3.658 14.445 2.060
52 HD2 LYS 11 1HD LYS 11 -5.515 16.172 1.933
53 HD3 LYS 11 2HD LYS 11 -6.627 14.859 2.327
54 HE2 LYS 11 1HE LYS 11 -4.222 15.294 4.037
55 HE3 LYS 11 2HE LYS 11 -5.605 16.373 4.213
56 HZ1 LYS 11 3HZ LYS 11 -5.286 13.685 5.111
57 HZ2 LYS 11 1HZ LYS 11 -6.686 13.861 4.177
58 HZ3 LYS 11 2HZ LYS 11 -6.453 14.830 5.543
59 HA PRO 12 HA PRO 12 -2.983 15.564 -4.488
60 HB2 PRO 12 1HB PRO 12 -0.284 15.655 -4.768
61 HB3 PRO 12 2HB PRO 12 -1.266 17.090 -4.451
62 HG2 PRO 12 1HG PRO 12 0.340 15.434 -2.543
63 HG3 PRO 12 2HG PRO 12 0.204 17.199 -2.652
64 HD2 PRO 12 1HD PRO 12 -1.161 15.744 -0.821
65 HD3 PRO 12 2HD PRO 12 -1.806 17.240 -1.525
66 H TYR 13 H TYR 13 -2.089 13.302 -2.215
67 HA TYR 13 HA TYR 13 -1.569 11.305 -4.309
68 HB2 TYR 13 1HB TYR 13 -0.195 11.317 -1.618
69 HB3 TYR 13 2HB TYR 13 0.105 10.220 -2.961
70 HD1 TYR 13 HD1 TYR 13 0.863 11.389 -5.199
71 HD2 TYR 13 HD2 TYR 13 1.205 13.136 -1.335
72 HE1 TYR 13 HE1 TYR 13 2.617 12.893 -6.041
73 HE2 TYR 13 HE2 TYR 13 2.959 14.647 -2.167
74 HH TYR 13 HH TYR 13 4.337 15.100 -3.880
75 H LYS 14 H LYS 14 -2.690 9.447 -4.125
76 HA LYS 14 HA LYS 14 -4.047 8.846 -1.599
77 HB2 LYS 14 1HB LYS 14 -5.710 10.040 -2.877
78 HB3 LYS 14 2HB LYS 14 -5.388 9.055 -4.298
79 HG2 LYS 14 1HG LYS 14 -7.266 8.024 -3.556
80 HG3 LYS 14 2HG LYS 14 -6.066 7.101 -2.648
81 HD2 LYS 14 1HD LYS 14 -7.493 7.631 -0.948
82 HD3 LYS 14 2HD LYS 14 -6.441 9.047 -0.889
83 HE2 LYS 14 1HE LYS 14 -8.950 8.988 -2.541
84 HE3 LYS 14 2HE LYS 14 -8.965 9.444 -0.838
85 HZ1 LYS 14 3HZ LYS 14 -7.612 10.813 -3.084
86 HZ2 LYS 14 1HZ LYS 14 -7.196 11.117 -1.472
87 HZ3 LYS 14 2HZ LYS 14 -8.765 11.438 -2.016
88 H CYS 15 H CYS 15 -3.845 6.775 -1.054
89 HA CYS 15 HA CYS 15 -2.382 4.948 -2.609
90 HB2 CYS 15 1HB CYS 15 -2.579 4.873 -0.127
91 HB3 CYS 15 2HB CYS 15 -4.243 4.325 -0.307
92 H SER 16 H SER 16 -3.042 4.072 -4.452
93 HA SER 16 HA SER 16 -5.850 3.694 -5.019
94 HB2 SER 16 1HB SER 16 -4.060 4.457 -6.694
95 HB3 SER 16 2HB SER 16 -3.562 2.766 -6.750
96 HG SER 16 HG SER 16 -6.274 3.310 -7.071
97 H ASP 17 H ASP 17 -4.941 2.151 -2.841
98 HA ASP 17 HA ASP 17 -5.310 -0.557 -3.934
99 HB2 ASP 17 1HB ASP 17 -3.488 0.270 -1.667
100 HB3 ASP 17 2HB ASP 17 -3.886 -1.401 -2.058
101 H CYS 18 H CYS 18 -5.621 1.524 -1.078
102 HA CYS 18 HA CYS 18 -7.918 -0.121 -0.237
103 HB2 CYS 18 1HB CYS 18 -7.439 0.614 2.075
104 HB3 CYS 18 2HB CYS 18 -6.102 -0.290 1.373
105 H GLY 19 H GLY 19 -6.581 3.176 -0.208
106 HA2 GLY 19 1HA GLY 19 -8.114 4.882 -1.197
107 HA3 GLY 19 2HA GLY 19 -9.361 4.181 -0.176
108 H LYS 20 H LYS 20 -6.027 5.377 0.258
109 HA LYS 20 HA LYS 20 -7.020 6.997 2.509
110 HB2 LYS 20 1HB LYS 20 -4.685 5.151 2.350
111 HB3 LYS 20 2HB LYS 20 -4.510 6.619 3.302
112 HG2 LYS 20 1HG LYS 20 -6.212 5.991 4.788
113 HG3 LYS 20 2HG LYS 20 -6.810 4.735 3.701
114 HD2 LYS 20 1HD LYS 20 -5.076 3.288 4.210
115 HD3 LYS 20 2HD LYS 20 -4.014 4.589 4.754
116 HE2 LYS 20 1HE LYS 20 -4.678 3.440 6.704
117 HE3 LYS 20 2HE LYS 20 -5.631 4.923 6.672
118 HZ1 LYS 20 3HZ LYS 20 -6.717 2.441 5.515
119 HZ2 LYS 20 1HZ LYS 20 -7.544 3.784 6.129
120 HZ3 LYS 20 2HZ LYS 20 -6.790 2.700 7.186
121 H ALA 21 H ALA 21 -6.777 9.091 2.138
122 HA ALA 21 HA ALA 21 -4.968 10.018 0.070
123 HB1 ALA 21 3HB ALA 21 -7.413 10.837 0.684
124 HB2 ALA 21 1HB ALA 21 -6.511 11.930 1.735
125 HB3 ALA 21 2HB ALA 21 -6.208 11.926 -0.003
126 H PHE 22 H PHE 22 -3.040 10.942 0.386
127 HA PHE 22 HA PHE 22 -2.286 11.660 3.142
128 HB2 PHE 22 1HB PHE 22 -0.479 10.533 0.994
129 HB3 PHE 22 2HB PHE 22 -0.004 10.949 2.637
130 HD1 PHE 22 HD1 PHE 22 -1.976 8.613 0.587
131 HD2 PHE 22 HD2 PHE 22 -0.415 9.477 4.451
132 HE1 PHE 22 HE1 PHE 22 -2.542 6.334 1.321
133 HE2 PHE 22 HE2 PHE 22 -0.978 7.199 5.191
134 HZ PHE 22 HZ PHE 22 -2.042 5.624 3.625
135 H THR 23 H THR 23 -1.036 13.498 3.447
136 HA THR 23 HA THR 23 -1.268 15.480 1.345
137 HB THR 23 HB THR 23 -0.239 15.714 4.178
138 HG1 THR 23 HG1 THR 23 -2.691 16.483 2.941
139 HG21 THR 23 3HG2 THR 23 0.827 17.473 3.093
140 HG22 THR 23 1HG2 THR 23 -0.674 18.216 3.643
141 HG23 THR 23 2HG2 THR 23 -0.504 17.713 1.961
142 H ARG 24 H ARG 24 1.225 13.601 2.921
143 HA ARG 24 HA ARG 24 3.273 14.979 1.320
144 HB2 ARG 24 1HB ARG 24 4.842 13.676 2.917
145 HB3 ARG 24 2HB ARG 24 3.992 15.088 3.530
146 HG2 ARG 24 1HG ARG 24 2.471 13.782 4.746
147 HG3 ARG 24 2HG ARG 24 2.906 12.313 3.870
148 HD2 ARG 24 1HD ARG 24 4.072 11.966 5.801
149 HD3 ARG 24 2HD ARG 24 5.289 12.844 4.875
150 HE ARG 24 HE ARG 24 3.771 14.704 6.304
151 HH11 ARG 24 1HH1 ARG 24 6.029 12.121 6.896
152 HH12 ARG 24 2HH1 ARG 24 6.634 12.811 8.366
153 HH21 ARG 24 1HH2 ARG 24 4.559 15.623 8.238
154 HH22 ARG 24 2HH2 ARG 24 5.797 14.803 9.128
155 H LYS 25 H LYS 25 4.142 13.957 -0.357
156 HA LYS 25 HA LYS 25 3.276 11.637 -1.471
157 HB2 LYS 25 1HB LYS 25 5.433 11.529 -2.681
158 HB3 LYS 25 2HB LYS 25 4.749 13.149 -2.659
159 HG2 LYS 25 1HG LYS 25 6.752 12.352 -0.594
160 HG3 LYS 25 2HG LYS 25 7.280 12.807 -2.216
161 HD2 LYS 25 1HD LYS 25 5.655 14.854 -1.761
162 HD3 LYS 25 2HD LYS 25 6.033 14.460 -0.083
163 HE2 LYS 25 1HE LYS 25 8.262 14.663 -2.049
164 HE3 LYS 25 2HE LYS 25 7.514 16.147 -1.461
165 HZ1 LYS 25 3HZ LYS 25 9.137 15.845 0.091
166 HZ2 LYS 25 1HZ LYS 25 9.092 14.156 -0.001
167 HZ3 LYS 25 2HZ LYS 25 7.884 14.990 0.839
168 H SER 26 H SER 26 5.620 11.981 1.106
169 HA SER 26 HA SER 26 6.521 9.271 1.042
170 HB2 SER 26 1HB SER 26 7.491 9.828 3.291
171 HB3 SER 26 2HB SER 26 7.967 10.940 2.008
172 HG SER 26 HG SER 26 7.321 12.332 3.487
173 H GLY 27 H GLY 27 4.330 11.067 3.206
174 HA2 GLY 27 1HA GLY 27 3.583 9.219 5.018
175 HA3 GLY 27 2HA GLY 27 2.420 10.310 4.279
176 H LEU 28 H LEU 28 2.804 9.114 1.611
177 HA LEU 28 HA LEU 28 0.974 6.885 1.975
178 HB2 LEU 28 1HB LEU 28 0.242 8.355 0.321
179 HB3 LEU 28 2HB LEU 28 1.856 8.529 -0.367
180 HG LEU 28 HG LEU 28 1.692 6.214 -1.232
181 HD11 LEU 28 1HD1 LEU 28 -1.226 6.308 -0.548
182 HD12 LEU 28 2HD1 LEU 28 -0.045 5.575 0.536
183 HD13 LEU 28 3HD1 LEU 28 -0.257 4.939 -1.094
184 HD21 LEU 28 3HD2 LEU 28 -0.367 6.838 -2.791
185 HD22 LEU 28 1HD2 LEU 28 1.193 7.650 -2.923
186 HD23 LEU 28 2HD2 LEU 28 -0.127 8.415 -2.038
187 H HIS 29 H HIS 29 4.036 7.509 0.266
188 HA HIS 29 HA HIS 29 4.588 5.046 -0.760
189 HB2 HIS 29 1HB HIS 29 6.291 7.232 0.327
190 HB3 HIS 29 2HB HIS 29 7.066 5.684 0.004
191 HD2 HIS 29 HD2 HIS 29 4.536 7.774 -2.232
192 HE1 HIS 29 HE1 HIS 29 7.929 6.670 -4.529
193 HE2 HIS 29 HE2 HIS 29 5.736 7.910 -4.520
194 H ILE 30 H ILE 30 5.490 6.124 2.518
195 HA ILE 30 HA ILE 30 6.558 3.693 3.389
196 HB ILE 30 HB ILE 30 5.238 5.902 4.965
197 HG12 ILE 30 1HG1 ILE 30 7.819 6.070 5.605
198 HG13 ILE 30 2HG1 ILE 30 8.007 5.308 4.029
199 HG21 ILE 30 1HG2 ILE 30 6.169 4.939 6.961
200 HG22 ILE 30 2HG2 ILE 30 5.170 3.728 6.158
201 HG23 ILE 30 3HG2 ILE 30 6.927 3.646 6.032
202 HD11 ILE 30 3HD1 ILE 30 7.238 7.138 2.902
203 HD12 ILE 30 1HD1 ILE 30 6.259 7.701 4.256
204 HD13 ILE 30 2HD1 ILE 30 8.010 7.910 4.286
205 H HIS 31 H HIS 31 3.247 4.871 3.335
206 HA HIS 31 HA HIS 31 2.129 2.828 4.947
207 HB2 HIS 31 1HB HIS 31 0.706 4.637 4.751
208 HB3 HIS 31 2HB HIS 31 1.052 4.859 3.039
209 HD1 HIS 31 HD1 HIS 31 -0.673 2.229 5.193
210 HD2 HIS 31 HD2 HIS 31 -1.007 4.075 1.485
211 HE1 HIS 31 HE1 HIS 31 -2.764 1.288 4.159
212 H GLN 32 H GLN 32 2.660 3.151 1.473
213 HA GLN 32 HA GLN 32 1.227 0.874 0.660
214 HB2 GLN 32 1HB GLN 32 3.379 2.558 -0.531
215 HB3 GLN 32 2HB GLN 32 3.045 0.999 -1.272
216 HG2 GLN 32 1HG GLN 32 0.777 2.841 -0.711
217 HG3 GLN 32 2HG GLN 32 1.834 3.171 -2.083
218 HE21 GLN 32 1HE2 GLN 32 -0.141 2.832 -3.316
219 HE22 GLN 32 2HE2 GLN 32 -0.590 1.222 -3.752
220 H GLN 33 H GLN 33 4.602 1.304 1.629
221 HA GLN 33 HA GLN 33 5.692 -1.118 0.985
222 HB2 GLN 33 1HB GLN 33 6.111 0.468 3.524
223 HB3 GLN 33 2HB GLN 33 7.154 -0.840 2.982
224 HG2 GLN 33 1HG GLN 33 6.634 1.675 1.417
225 HG3 GLN 33 2HG GLN 33 8.020 1.424 2.477
226 HE21 GLN 33 1HE2 GLN 33 9.647 0.023 1.854
227 HE22 GLN 33 2HE2 GLN 33 9.796 -0.566 0.237
228 H SER 34 H SER 34 3.267 -0.460 3.360
229 HA SER 34 HA SER 34 3.593 -2.952 4.771
230 HB2 SER 34 1HB SER 34 1.427 -0.841 4.859
231 HB3 SER 34 2HB SER 34 1.451 -2.270 5.893
232 HG SER 34 HG SER 34 3.077 -0.004 5.937
233 H HIS 35 H HIS 35 1.493 -1.664 2.257
234 HA HIS 35 HA HIS 35 -0.419 -3.687 2.162
235 HB2 HIS 35 1HB HIS 35 0.630 -1.693 0.213
236 HB3 HIS 35 2HB HIS 35 -0.349 -3.015 -0.417
237 HD1 HIS 35 HD1 HIS 35 -2.705 -3.288 1.152
238 HD2 HIS 35 HD2 HIS 35 -0.899 0.439 0.815
239 HE1 HIS 35 HE1 HIS 35 -4.492 -1.619 1.739
240 H THR 36 H THR 36 2.749 -3.476 0.604
241 HA THR 36 HA THR 36 2.775 -5.543 -1.131
242 HB THR 36 HB THR 36 5.133 -5.899 -0.654
243 HG1 THR 36 HG1 THR 36 4.581 -5.589 1.785
244 HG21 THR 36 3HG2 THR 36 5.688 -3.923 -1.547
245 HG22 THR 36 1HG2 THR 36 5.142 -3.036 -0.125
246 HG23 THR 36 2HG2 THR 36 3.986 -3.492 -1.377
247 H GLY 37 H GLY 37 2.530 -5.784 2.335
248 HA2 GLY 37 1HA GLY 37 2.025 -7.572 3.687
249 HA3 GLY 37 2HA GLY 37 1.611 -8.460 2.228
250 H GLU 38 H GLU 38 3.111 -9.197 4.728
251 HA GLU 38 HA GLU 38 5.765 -9.795 3.676
252 HB2 GLU 38 1HB GLU 38 5.412 -8.967 6.029
253 HB3 GLU 38 2HB GLU 38 4.630 -10.501 6.384
254 HG2 GLU 38 1HG GLU 38 6.904 -10.573 7.137
255 HG3 GLU 38 2HG GLU 38 6.708 -11.672 5.773
256 H ARG 39 H ARG 39 5.831 -11.490 2.343
257 HA ARG 39 HA ARG 39 4.747 -14.034 3.301
258 HB2 ARG 39 1HB ARG 39 3.111 -12.992 1.709
259 HB3 ARG 39 2HB ARG 39 4.353 -13.070 0.466
260 HG2 ARG 39 1HG ARG 39 4.347 -15.437 0.479
261 HG3 ARG 39 2HG ARG 39 3.369 -15.492 1.947
262 HD2 ARG 39 1HD ARG 39 1.530 -14.387 0.686
263 HD3 ARG 39 2HD ARG 39 2.508 -14.524 -0.775
264 HE ARG 39 HE ARG 39 2.395 -17.068 0.166
265 HH11 ARG 39 1HH1 ARG 39 0.000 -14.659 -0.596
266 HH12 ARG 39 2HH1 ARG 39 -1.210 -15.815 -1.043
267 HH21 ARG 39 1HH2 ARG 39 0.810 -18.600 -0.420
268 HH22 ARG 39 2HH2 ARG 39 -0.748 -18.057 -0.942
269 H HIS 40 H HIS 40 5.872 -15.855 2.614
270 HA HIS 40 HA HIS 40 8.126 -15.513 0.801
271 HB2 HIS 40 1HB HIS 40 8.763 -15.064 3.301
272 HB3 HIS 40 2HB HIS 40 8.679 -16.817 3.443
273 HD2 HIS 40 HD2 HIS 40 11.578 -15.364 3.766
274 HE1 HIS 40 HE1 HIS 40 12.341 -16.897 -0.115
275 HE2 HIS 40 HE2 HIS 40 13.363 -16.033 2.019
276 H SER 41 H SER 41 7.790 -17.073 -0.634
277 HA SER 41 HA SER 41 6.194 -19.227 -0.584
278 HB2 SER 41 1HB SER 41 7.777 -20.348 -2.173
279 HB3 SER 41 2HB SER 41 7.427 -18.668 -2.582
280 HG SER 41 HG SER 41 9.649 -19.267 -0.975
281 H GLY 42 H GLY 42 5.910 -20.708 0.948
282 HA2 GLY 42 1HA GLY 42 7.158 -22.877 1.595
283 HA3 GLY 42 2HA GLY 42 8.268 -21.753 2.364
284 HA PRO 43 HA PRO 43 5.054 -23.028 5.466
285 HB2 PRO 43 1HB PRO 43 6.833 -23.591 7.438
286 HB3 PRO 43 2HB PRO 43 6.344 -24.774 6.218
287 HG2 PRO 43 1HG PRO 43 8.808 -23.076 6.331
288 HG3 PRO 43 2HG PRO 43 8.647 -24.788 5.897
289 HD2 PRO 43 1HD PRO 43 8.892 -22.832 4.041
290 HD3 PRO 43 2HD PRO 43 7.951 -24.309 3.753
291 H SER 44 H SER 44 7.164 -20.538 4.949
292 HA SER 44 HA SER 44 7.173 -19.261 7.492
293 HB2 SER 44 1HB SER 44 8.859 -18.711 5.819
294 HB3 SER 44 2HB SER 44 7.611 -18.125 4.719
295 HG SER 44 HG SER 44 7.719 -17.001 7.269
296 H SER 45 H SER 45 5.445 -18.479 8.482
297 HA SER 45 HA SER 45 3.221 -17.448 6.855
298 HB2 SER 45 1HB SER 45 2.430 -19.212 8.234
299 HB3 SER 45 2HB SER 45 3.313 -18.612 9.638
300 HG SER 45 HG SER 45 0.990 -18.149 9.565
301 H GLY 46 H GLY 46 4.092 -15.372 6.540
302 HA2 GLY 46 1HA GLY 46 4.214 -13.129 7.040
303 HA3 GLY 46 2HA GLY 46 3.435 -13.493 8.573
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -12.934 0.698 7.456
2 HA2 GLY 1 1HA GLY 1 -14.442 0.984 9.913
3 HA3 GLY 1 2HA GLY 1 -13.289 -0.287 9.536
4 H SER 2 H SER 2 -11.018 1.144 8.970
5 HA SER 2 HA SER 2 -10.327 2.118 11.633
6 HB2 SER 2 1HB SER 2 -8.628 1.350 9.251
7 HB3 SER 2 2HB SER 2 -7.970 1.981 10.761
8 HG SER 2 HG SER 2 -9.152 0.170 11.770
9 H SER 3 H SER 3 -9.594 4.149 12.075
10 HA SER 3 HA SER 3 -9.601 6.077 9.846
11 HB2 SER 3 1HB SER 3 -10.616 7.731 11.286
12 HB3 SER 3 2HB SER 3 -11.608 6.274 11.333
13 HG SER 3 HG SER 3 -10.319 7.531 13.347
14 H GLY 4 H GLY 4 -8.476 8.190 10.536
15 HA2 GLY 4 1HA GLY 4 -6.113 7.559 12.189
16 HA3 GLY 4 2HA GLY 4 -5.941 8.315 10.611
17 H SER 5 H SER 5 -4.824 10.028 11.733
18 HA SER 5 HA SER 5 -6.457 11.719 13.461
19 HB2 SER 5 1HB SER 5 -3.959 11.107 13.854
20 HB3 SER 5 2HB SER 5 -3.633 12.346 12.641
21 HG SER 5 HG SER 5 -4.301 13.869 13.986
22 H SER 6 H SER 6 -7.311 13.626 12.867
23 HA SER 6 HA SER 6 -7.843 14.283 10.261
24 HB2 SER 6 1HB SER 6 -7.755 15.933 12.769
25 HB3 SER 6 2HB SER 6 -8.122 16.693 11.220
26 HG SER 6 HG SER 6 -9.741 14.892 11.058
27 H GLY 7 H GLY 7 -6.221 14.331 8.788
28 HA2 GLY 7 1HA GLY 7 -3.756 15.752 9.319
29 HA3 GLY 7 2HA GLY 7 -4.174 14.899 7.840
30 H THR 8 H THR 8 -3.460 17.845 9.006
31 HA THR 8 HA THR 8 -5.389 19.367 7.453
32 HB THR 8 HB THR 8 -2.998 20.372 9.007
33 HG1 THR 8 HG1 THR 8 -5.708 19.936 9.738
34 HG21 THR 8 3HG2 THR 8 -5.196 22.204 8.774
35 HG22 THR 8 1HG2 THR 8 -4.694 21.666 7.172
36 HG23 THR 8 2HG2 THR 8 -3.521 22.406 8.262
37 H GLY 9 H GLY 9 -5.057 20.146 5.461
38 HA2 GLY 9 1HA GLY 9 -3.340 21.271 4.007
39 HA3 GLY 9 2HA GLY 9 -2.342 19.861 4.330
40 H GLU 10 H GLU 10 -2.534 20.210 1.807
41 HA GLU 10 HA GLU 10 -4.907 18.946 0.703
42 HB2 GLU 10 1HB GLU 10 -2.454 20.188 -0.528
43 HB3 GLU 10 2HB GLU 10 -3.631 19.302 -1.487
44 HG2 GLU 10 1HG GLU 10 -5.337 20.924 -0.358
45 HG3 GLU 10 2HG GLU 10 -3.906 21.919 -0.095
46 H LYS 11 H LYS 11 -5.007 16.932 -0.170
47 HA LYS 11 HA LYS 11 -2.584 15.267 0.045
48 HB2 LYS 11 1HB LYS 11 -4.037 13.368 0.597
49 HB3 LYS 11 2HB LYS 11 -4.203 14.666 1.772
50 HG2 LYS 11 1HG LYS 11 -6.200 15.360 0.184
51 HG3 LYS 11 2HG LYS 11 -6.149 13.641 -0.217
52 HD2 LYS 11 1HD LYS 11 -7.614 13.640 1.559
53 HD3 LYS 11 2HD LYS 11 -6.082 13.346 2.385
54 HE2 LYS 11 1HE LYS 11 -6.975 16.159 1.997
55 HE3 LYS 11 2HE LYS 11 -7.778 15.185 3.228
56 HZ1 LYS 11 3HZ LYS 11 -5.488 14.676 4.085
57 HZ2 LYS 11 1HZ LYS 11 -6.001 16.275 4.289
58 HZ3 LYS 11 2HZ LYS 11 -4.906 15.889 3.060
59 HA PRO 12 HA PRO 12 -4.003 15.267 -4.366
60 HB2 PRO 12 1HB PRO 12 -1.504 15.485 -5.406
61 HB3 PRO 12 2HB PRO 12 -2.469 16.885 -4.920
62 HG2 PRO 12 1HG PRO 12 -0.270 15.493 -3.439
63 HG3 PRO 12 2HG PRO 12 -0.569 17.231 -3.623
64 HD2 PRO 12 1HD PRO 12 -1.251 15.864 -1.388
65 HD3 PRO 12 2HD PRO 12 -2.183 17.255 -1.978
66 H TYR 13 H TYR 13 -2.310 13.270 -2.299
67 HA TYR 13 HA TYR 13 -1.972 11.207 -4.377
68 HB2 TYR 13 1HB TYR 13 -0.593 11.217 -1.695
69 HB3 TYR 13 2HB TYR 13 -0.204 10.247 -3.111
70 HD1 TYR 13 HD1 TYR 13 0.433 11.664 -5.260
71 HD2 TYR 13 HD2 TYR 13 0.703 13.076 -1.256
72 HE1 TYR 13 HE1 TYR 13 2.071 13.354 -5.973
73 HE2 TYR 13 HE2 TYR 13 2.341 14.771 -1.958
74 HH TYR 13 HH TYR 13 3.702 15.431 -3.636
75 H LYS 14 H LYS 14 -3.047 9.330 -4.178
76 HA LYS 14 HA LYS 14 -4.272 8.625 -1.621
77 HB2 LYS 14 1HB LYS 14 -5.821 9.982 -3.288
78 HB3 LYS 14 2HB LYS 14 -5.990 8.408 -4.053
79 HG2 LYS 14 1HG LYS 14 -6.435 8.703 -1.114
80 HG3 LYS 14 2HG LYS 14 -7.700 9.150 -2.261
81 HD2 LYS 14 1HD LYS 14 -6.352 6.494 -2.504
82 HD3 LYS 14 2HD LYS 14 -7.608 6.728 -1.286
83 HE2 LYS 14 1HE LYS 14 -9.258 7.061 -2.861
84 HE3 LYS 14 2HE LYS 14 -8.117 7.585 -4.099
85 HZ1 LYS 14 3HZ LYS 14 -8.456 5.526 -4.886
86 HZ2 LYS 14 1HZ LYS 14 -8.992 4.913 -3.403
87 HZ3 LYS 14 2HZ LYS 14 -7.335 5.064 -3.706
88 H CYS 15 H CYS 15 -3.533 6.648 -1.235
89 HA CYS 15 HA CYS 15 -2.357 4.897 -2.988
90 HB2 CYS 15 1HB CYS 15 -2.148 4.501 -0.646
91 HB3 CYS 15 2HB CYS 15 -3.891 4.357 -0.446
92 H SER 16 H SER 16 -3.059 3.789 -4.679
93 HA SER 16 HA SER 16 -5.920 3.482 -5.111
94 HB2 SER 16 1HB SER 16 -3.552 2.895 -6.904
95 HB3 SER 16 2HB SER 16 -5.240 2.710 -7.380
96 HG SER 16 HG SER 16 -3.998 5.123 -6.544
97 H ASP 17 H ASP 17 -5.014 1.935 -3.008
98 HA ASP 17 HA ASP 17 -5.355 -0.770 -4.112
99 HB2 ASP 17 1HB ASP 17 -2.964 -0.203 -3.322
100 HB3 ASP 17 2HB ASP 17 -3.636 -0.254 -1.695
101 H CYS 18 H CYS 18 -5.409 1.130 -1.097
102 HA CYS 18 HA CYS 18 -7.713 -0.485 -0.225
103 HB2 CYS 18 1HB CYS 18 -7.110 0.194 2.077
104 HB3 CYS 18 2HB CYS 18 -5.817 -0.698 1.283
105 H GLY 19 H GLY 19 -6.377 2.813 -0.171
106 HA2 GLY 19 1HA GLY 19 -7.971 4.537 -1.036
107 HA3 GLY 19 2HA GLY 19 -9.150 3.812 0.047
108 H LYS 20 H LYS 20 -5.785 4.967 0.320
109 HA LYS 20 HA LYS 20 -6.638 6.565 2.643
110 HB2 LYS 20 1HB LYS 20 -4.356 4.677 2.340
111 HB3 LYS 20 2HB LYS 20 -4.085 6.135 3.284
112 HG2 LYS 20 1HG LYS 20 -5.715 5.545 4.866
113 HG3 LYS 20 2HG LYS 20 -6.402 4.304 3.816
114 HD2 LYS 20 1HD LYS 20 -4.188 3.104 3.989
115 HD3 LYS 20 2HD LYS 20 -3.756 4.256 5.255
116 HE2 LYS 20 1HE LYS 20 -5.507 3.501 6.661
117 HE3 LYS 20 2HE LYS 20 -6.255 2.583 5.355
118 HZ1 LYS 20 3HZ LYS 20 -3.520 1.857 6.003
119 HZ2 LYS 20 1HZ LYS 20 -4.846 0.872 5.633
120 HZ3 LYS 20 2HZ LYS 20 -4.669 1.502 7.193
121 H ALA 21 H ALA 21 -6.461 8.651 2.192
122 HA ALA 21 HA ALA 21 -4.621 9.562 0.133
123 HB1 ALA 21 3HB ALA 21 -6.914 10.794 1.598
124 HB2 ALA 21 1HB ALA 21 -5.748 11.821 0.764
125 HB3 ALA 21 2HB ALA 21 -6.659 10.609 -0.137
126 H PHE 22 H PHE 22 -2.866 10.856 0.453
127 HA PHE 22 HA PHE 22 -2.179 11.511 3.242
128 HB2 PHE 22 1HB PHE 22 -0.248 10.623 1.089
129 HB3 PHE 22 2HB PHE 22 0.158 11.015 2.757
130 HD1 PHE 22 HD1 PHE 22 -1.711 8.633 0.632
131 HD2 PHE 22 HD2 PHE 22 0.004 9.403 4.451
132 HE1 PHE 22 HE1 PHE 22 -2.081 6.285 1.268
133 HE2 PHE 22 HE2 PHE 22 -0.363 7.056 5.093
134 HZ PHE 22 HZ PHE 22 -1.405 5.493 3.500
135 H THR 23 H THR 23 -0.880 13.381 3.556
136 HA THR 23 HA THR 23 -1.492 15.494 1.705
137 HB THR 23 HB THR 23 -0.348 16.969 3.310
138 HG1 THR 23 HG1 THR 23 0.344 14.488 4.504
139 HG21 THR 23 3HG2 THR 23 -2.389 16.966 4.220
140 HG22 THR 23 1HG2 THR 23 -1.775 15.791 5.383
141 HG23 THR 23 2HG2 THR 23 -2.595 15.240 3.922
142 H ARG 24 H ARG 24 1.430 13.803 2.769
143 HA ARG 24 HA ARG 24 2.884 15.086 0.549
144 HB2 ARG 24 1HB ARG 24 4.162 13.971 3.042
145 HB3 ARG 24 2HB ARG 24 4.896 14.998 1.818
146 HG2 ARG 24 1HG ARG 24 3.629 16.884 2.528
147 HG3 ARG 24 2HG ARG 24 2.637 15.886 3.592
148 HD2 ARG 24 1HD ARG 24 4.113 16.782 5.102
149 HD3 ARG 24 2HD ARG 24 4.948 15.289 4.674
150 HE ARG 24 HE ARG 24 6.589 16.530 3.649
151 HH11 ARG 24 1HH1 ARG 24 3.858 18.566 4.369
152 HH12 ARG 24 2HH1 ARG 24 4.689 20.037 3.987
153 HH21 ARG 24 1HH2 ARG 24 7.693 18.460 3.142
154 HH22 ARG 24 2HH2 ARG 24 6.870 19.976 3.288
155 H LYS 25 H LYS 25 4.099 13.812 -0.799
156 HA LYS 25 HA LYS 25 3.332 11.305 -1.470
157 HB2 LYS 25 1HB LYS 25 5.962 12.711 -1.748
158 HB3 LYS 25 2HB LYS 25 5.819 11.036 -2.264
159 HG2 LYS 25 1HG LYS 25 3.711 11.971 -3.542
160 HG3 LYS 25 2HG LYS 25 4.603 13.489 -3.411
161 HD2 LYS 25 1HD LYS 25 6.024 11.045 -4.364
162 HD3 LYS 25 2HD LYS 25 4.949 11.901 -5.473
163 HE2 LYS 25 1HE LYS 25 6.946 13.473 -3.922
164 HE3 LYS 25 2HE LYS 25 7.510 12.511 -5.287
165 HZ1 LYS 25 3HZ LYS 25 5.362 13.767 -6.314
166 HZ2 LYS 25 1HZ LYS 25 6.959 14.300 -6.479
167 HZ3 LYS 25 2HZ LYS 25 5.972 14.948 -5.268
168 H SER 26 H SER 26 5.933 12.100 0.815
169 HA SER 26 HA SER 26 6.860 9.574 1.397
170 HB2 SER 26 1HB SER 26 7.520 11.968 2.318
171 HB3 SER 26 2HB SER 26 6.488 11.486 3.664
172 HG SER 26 HG SER 26 7.911 9.422 3.370
173 H GLY 27 H GLY 27 4.322 11.313 3.213
174 HA2 GLY 27 1HA GLY 27 3.558 9.445 5.021
175 HA3 GLY 27 2HA GLY 27 2.403 10.489 4.205
176 H LEU 28 H LEU 28 2.938 9.326 1.573
177 HA LEU 28 HA LEU 28 1.199 7.015 1.844
178 HB2 LEU 28 1HB LEU 28 0.524 8.508 0.160
179 HB3 LEU 28 2HB LEU 28 2.160 8.653 -0.480
180 HG LEU 28 HG LEU 28 1.978 6.272 -1.242
181 HD11 LEU 28 1HD1 LEU 28 -0.347 5.391 -1.464
182 HD12 LEU 28 2HD1 LEU 28 -0.878 6.670 -0.373
183 HD13 LEU 28 3HD1 LEU 28 0.259 5.446 0.191
184 HD21 LEU 28 3HD2 LEU 28 0.923 8.635 -2.362
185 HD22 LEU 28 1HD2 LEU 28 -0.213 7.338 -2.731
186 HD23 LEU 28 2HD2 LEU 28 1.481 7.187 -3.200
187 H HIS 29 H HIS 29 4.379 7.785 0.463
188 HA HIS 29 HA HIS 29 5.102 5.389 -0.627
189 HB2 HIS 29 1HB HIS 29 6.632 7.542 0.761
190 HB3 HIS 29 2HB HIS 29 7.470 6.037 0.391
191 HD2 HIS 29 HD2 HIS 29 5.065 8.182 -1.925
192 HE1 HIS 29 HE1 HIS 29 8.726 7.440 -3.937
193 HE2 HIS 29 HE2 HIS 29 6.471 8.555 -4.064
194 H ILE 30 H ILE 30 5.738 6.323 2.758
195 HA ILE 30 HA ILE 30 6.745 3.882 3.624
196 HB ILE 30 HB ILE 30 5.253 6.030 5.118
197 HG12 ILE 30 1HG1 ILE 30 7.717 6.057 6.135
198 HG13 ILE 30 2HG1 ILE 30 8.102 5.348 4.570
199 HG21 ILE 30 1HG2 ILE 30 6.475 4.722 7.099
200 HG22 ILE 30 2HG2 ILE 30 4.820 4.372 6.601
201 HG23 ILE 30 3HG2 ILE 30 6.146 3.360 6.028
202 HD11 ILE 30 3HD1 ILE 30 7.705 7.265 3.456
203 HD12 ILE 30 1HD1 ILE 30 6.399 7.754 4.535
204 HD13 ILE 30 2HD1 ILE 30 8.079 7.975 5.026
205 H HIS 31 H HIS 31 3.413 4.984 3.337
206 HA HIS 31 HA HIS 31 2.199 2.845 4.719
207 HB2 HIS 31 1HB HIS 31 0.811 4.698 4.388
208 HB3 HIS 31 2HB HIS 31 1.235 4.832 2.684
209 HD1 HIS 31 HD1 HIS 31 -0.608 2.375 4.936
210 HD2 HIS 31 HD2 HIS 31 -0.669 3.834 1.046
211 HE1 HIS 31 HE1 HIS 31 -2.612 1.313 3.851
212 H GLN 32 H GLN 32 2.826 3.357 1.258
213 HA GLN 32 HA GLN 32 1.650 1.259 0.065
214 HB2 GLN 32 1HB GLN 32 4.388 2.417 -0.351
215 HB3 GLN 32 2HB GLN 32 3.832 1.071 -1.336
216 HG2 GLN 32 1HG GLN 32 2.130 3.504 -1.073
217 HG3 GLN 32 2HG GLN 32 3.522 3.520 -2.154
218 HE21 GLN 32 1HE2 GLN 32 0.888 3.829 -3.017
219 HE22 GLN 32 2HE2 GLN 32 0.466 2.470 -3.997
220 H GLN 33 H GLN 33 4.676 1.072 1.906
221 HA GLN 33 HA GLN 33 5.519 -1.457 1.511
222 HB2 GLN 33 1HB GLN 33 5.338 0.148 4.041
223 HB3 GLN 33 2HB GLN 33 6.001 -1.480 4.065
224 HG2 GLN 33 1HG GLN 33 7.066 0.436 2.064
225 HG3 GLN 33 2HG GLN 33 7.528 0.642 3.753
226 HE21 GLN 33 1HE2 GLN 33 8.242 -1.453 4.824
227 HE22 GLN 33 2HE2 GLN 33 9.308 -2.454 3.904
228 H SER 34 H SER 34 2.987 -0.590 3.866
229 HA SER 34 HA SER 34 2.294 -2.922 4.968
230 HB2 SER 34 1HB SER 34 0.394 -0.893 3.773
231 HB3 SER 34 2HB SER 34 -0.111 -2.191 4.856
232 HG SER 34 HG SER 34 0.253 -0.404 6.110
233 H HIS 35 H HIS 35 1.409 -1.968 1.671
234 HA HIS 35 HA HIS 35 0.156 -4.530 1.158
235 HB2 HIS 35 1HB HIS 35 0.756 -2.365 -0.858
236 HB3 HIS 35 2HB HIS 35 -0.455 -3.639 -0.970
237 HD1 HIS 35 HD1 HIS 35 -2.309 -3.426 1.145
238 HD2 HIS 35 HD2 HIS 35 -0.338 -0.007 -0.152
239 HE1 HIS 35 HE1 HIS 35 -3.717 -1.498 1.935
240 H THR 36 H THR 36 2.584 -5.206 1.867
241 HA THR 36 HA THR 36 4.184 -5.517 -0.579
242 HB THR 36 HB THR 36 5.383 -4.553 1.333
243 HG1 THR 36 HG1 THR 36 6.238 -6.371 -0.196
244 HG21 THR 36 3HG2 THR 36 5.910 -6.272 3.211
245 HG22 THR 36 1HG2 THR 36 4.410 -7.039 2.692
246 HG23 THR 36 2HG2 THR 36 4.394 -5.373 3.268
247 H GLY 37 H GLY 37 1.992 -7.169 1.345
248 HA2 GLY 37 1HA GLY 37 1.182 -9.327 0.982
249 HA3 GLY 37 2HA GLY 37 2.587 -9.659 -0.021
250 H GLU 38 H GLU 38 4.695 -9.835 1.196
251 HA GLU 38 HA GLU 38 4.523 -11.886 3.088
252 HB2 GLU 38 1HB GLU 38 6.738 -10.072 2.196
253 HB3 GLU 38 2HB GLU 38 6.992 -11.177 3.540
254 HG2 GLU 38 1HG GLU 38 6.831 -13.048 2.214
255 HG3 GLU 38 2HG GLU 38 5.892 -12.219 0.974
256 H ARG 39 H ARG 39 3.260 -11.383 4.844
257 HA ARG 39 HA ARG 39 3.499 -8.990 6.344
258 HB2 ARG 39 1HB ARG 39 1.555 -10.717 6.243
259 HB3 ARG 39 2HB ARG 39 2.453 -11.554 7.501
260 HG2 ARG 39 1HG ARG 39 2.438 -9.237 8.680
261 HG3 ARG 39 2HG ARG 39 1.088 -8.905 7.594
262 HD2 ARG 39 1HD ARG 39 1.205 -11.364 9.319
263 HD3 ARG 39 2HD ARG 39 0.522 -9.842 9.892
264 HE ARG 39 HE ARG 39 -0.793 -10.271 7.569
265 HH11 ARG 39 1HH1 ARG 39 -0.225 -12.229 10.391
266 HH12 ARG 39 2HH1 ARG 39 -1.708 -13.111 10.238
267 HH21 ARG 39 1HH2 ARG 39 -2.749 -11.426 7.356
268 HH22 ARG 39 2HH2 ARG 39 -3.142 -12.654 8.511
269 H HIS 40 H HIS 40 4.497 -12.327 7.123
270 HA HIS 40 HA HIS 40 6.495 -11.192 8.968
271 HB2 HIS 40 1HB HIS 40 5.047 -13.844 9.067
272 HB3 HIS 40 2HB HIS 40 6.394 -13.422 10.120
273 HD2 HIS 40 HD2 HIS 40 5.701 -10.812 11.548
274 HE1 HIS 40 HE1 HIS 40 1.678 -12.117 11.878
275 HE2 HIS 40 HE2 HIS 40 3.391 -10.441 12.651
276 H SER 41 H SER 41 8.286 -12.996 9.367
277 HA SER 41 HA SER 41 10.023 -13.030 7.311
278 HB2 SER 41 1HB SER 41 10.178 -14.036 9.751
279 HB3 SER 41 2HB SER 41 9.856 -15.553 8.911
280 HG SER 41 HG SER 41 12.163 -14.488 9.183
281 H GLY 42 H GLY 42 10.745 -14.679 5.794
282 HA2 GLY 42 1HA GLY 42 8.460 -16.213 4.717
283 HA3 GLY 42 2HA GLY 42 9.711 -15.484 3.720
284 HA PRO 43 HA PRO 43 10.657 -19.997 4.907
285 HB2 PRO 43 1HB PRO 43 10.071 -21.162 2.525
286 HB3 PRO 43 2HB PRO 43 8.887 -20.985 3.825
287 HG2 PRO 43 1HG PRO 43 9.278 -19.308 1.376
288 HG3 PRO 43 2HG PRO 43 7.769 -19.889 2.105
289 HD2 PRO 43 1HD PRO 43 8.683 -17.365 2.463
290 HD3 PRO 43 2HD PRO 43 7.757 -18.231 3.706
291 H SER 44 H SER 44 11.539 -17.622 2.687
292 HA SER 44 HA SER 44 13.364 -18.754 0.986
293 HB2 SER 44 1HB SER 44 13.415 -16.107 2.431
294 HB3 SER 44 2HB SER 44 14.649 -16.550 1.252
295 HG SER 44 HG SER 44 11.903 -16.710 0.628
296 H SER 45 H SER 45 15.697 -18.915 1.064
297 HA SER 45 HA SER 45 16.751 -20.575 2.887
298 HB2 SER 45 1HB SER 45 18.933 -19.930 2.183
299 HB3 SER 45 2HB SER 45 17.876 -19.644 0.801
300 HG SER 45 HG SER 45 17.979 -17.489 1.154
301 H GLY 46 H GLY 46 17.959 -20.459 4.805
302 HA2 GLY 46 1HA GLY 46 18.993 -19.115 6.552
303 HA3 GLY 46 2HA GLY 46 17.758 -17.898 6.260
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -30.792 9.653 7.351
2 HA2 GLY 1 1HA GLY 1 -31.364 7.102 8.357
3 HA3 GLY 1 2HA GLY 1 -31.255 6.975 6.607
4 H SER 2 H SER 2 -29.237 8.896 6.171
5 HA SER 2 HA SER 2 -26.943 7.771 7.628
6 HB2 SER 2 1HB SER 2 -27.019 6.612 5.502
7 HB3 SER 2 2HB SER 2 -27.176 8.138 4.632
8 HG SER 2 HG SER 2 -24.939 6.935 5.710
9 H SER 3 H SER 3 -25.396 9.199 8.203
10 HA SER 3 HA SER 3 -25.946 12.013 7.708
11 HB2 SER 3 1HB SER 3 -23.978 10.628 9.542
12 HB3 SER 3 2HB SER 3 -24.138 12.379 9.409
13 HG SER 3 HG SER 3 -25.397 11.651 11.118
14 H GLY 4 H GLY 4 -23.157 9.805 7.447
15 HA2 GLY 4 1HA GLY 4 -21.915 9.826 5.328
16 HA3 GLY 4 2HA GLY 4 -22.114 11.572 5.321
17 H SER 5 H SER 5 -19.748 11.497 5.013
18 HA SER 5 HA SER 5 -18.399 11.432 7.625
19 HB2 SER 5 1HB SER 5 -16.398 10.481 6.591
20 HB3 SER 5 2HB SER 5 -17.777 9.410 6.343
21 HG SER 5 HG SER 5 -17.903 10.823 4.269
22 H SER 6 H SER 6 -17.778 13.427 8.087
23 HA SER 6 HA SER 6 -17.473 15.441 6.071
24 HB2 SER 6 1HB SER 6 -17.204 15.375 9.059
25 HB3 SER 6 2HB SER 6 -16.613 16.769 8.155
26 HG SER 6 HG SER 6 -19.249 15.770 8.336
27 H GLY 7 H GLY 7 -15.644 16.307 5.226
28 HA2 GLY 7 1HA GLY 7 -13.270 16.801 5.409
29 HA3 GLY 7 2HA GLY 7 -13.070 15.249 6.207
30 H THR 8 H THR 8 -14.409 16.480 3.138
31 HA THR 8 HA THR 8 -14.215 14.266 1.576
32 HB THR 8 HB THR 8 -13.677 15.829 -0.353
33 HG1 THR 8 HG1 THR 8 -14.125 17.952 1.437
34 HG21 THR 8 3HG2 THR 8 -15.860 17.277 0.333
35 HG22 THR 8 1HG2 THR 8 -15.998 15.928 1.460
36 HG23 THR 8 2HG2 THR 8 -15.926 15.623 -0.276
37 H GLY 9 H GLY 9 -12.611 13.753 -0.170
38 HA2 GLY 9 1HA GLY 9 -9.914 13.772 1.005
39 HA3 GLY 9 2HA GLY 9 -10.510 12.605 -0.167
40 H GLU 10 H GLU 10 -9.945 16.114 0.120
41 HA GLU 10 HA GLU 10 -9.461 16.313 -2.729
42 HB2 GLU 10 1HB GLU 10 -9.246 18.694 -2.345
43 HB3 GLU 10 2HB GLU 10 -10.673 18.093 -1.512
44 HG2 GLU 10 1HG GLU 10 -8.050 18.422 -0.103
45 HG3 GLU 10 2HG GLU 10 -9.185 19.758 -0.285
46 H LYS 11 H LYS 11 -7.656 14.620 -1.341
47 HA LYS 11 HA LYS 11 -5.168 16.143 -1.174
48 HB2 LYS 11 1HB LYS 11 -6.009 13.390 -0.342
49 HB3 LYS 11 2HB LYS 11 -4.301 13.747 -0.564
50 HG2 LYS 11 1HG LYS 11 -4.219 15.165 1.232
51 HG3 LYS 11 2HG LYS 11 -5.936 15.565 1.133
52 HD2 LYS 11 1HD LYS 11 -5.017 12.802 1.859
53 HD3 LYS 11 2HD LYS 11 -5.140 14.076 3.075
54 HE2 LYS 11 1HE LYS 11 -7.524 14.412 2.230
55 HE3 LYS 11 2HE LYS 11 -7.322 12.874 1.393
56 HZ1 LYS 11 3HZ LYS 11 -7.060 13.300 4.321
57 HZ2 LYS 11 1HZ LYS 11 -6.852 11.824 3.521
58 HZ3 LYS 11 2HZ LYS 11 -8.371 12.568 3.540
59 HA PRO 12 HA PRO 12 -3.849 15.031 -5.223
60 HB2 PRO 12 1HB PRO 12 -1.164 15.246 -4.881
61 HB3 PRO 12 2HB PRO 12 -2.235 16.648 -4.980
62 HG2 PRO 12 1HG PRO 12 -1.077 15.316 -2.563
63 HG3 PRO 12 2HG PRO 12 -1.236 17.046 -2.919
64 HD2 PRO 12 1HD PRO 12 -2.950 15.732 -1.286
65 HD3 PRO 12 2HD PRO 12 -3.456 17.098 -2.300
66 H TYR 13 H TYR 13 -2.255 13.457 -2.474
67 HA TYR 13 HA TYR 13 -1.577 11.161 -4.150
68 HB2 TYR 13 1HB TYR 13 -0.903 11.584 -1.237
69 HB3 TYR 13 2HB TYR 13 -0.175 10.428 -2.346
70 HD1 TYR 13 HD1 TYR 13 1.174 11.345 -4.308
71 HD2 TYR 13 HD2 TYR 13 0.002 13.731 -0.985
72 HE1 TYR 13 HE1 TYR 13 2.918 12.983 -4.876
73 HE2 TYR 13 HE2 TYR 13 1.743 15.376 -1.545
74 HH TYR 13 HH TYR 13 3.757 15.585 -2.753
75 H LYS 14 H LYS 14 -2.221 9.041 -3.633
76 HA LYS 14 HA LYS 14 -4.024 8.472 -1.497
77 HB2 LYS 14 1HB LYS 14 -5.441 9.723 -3.226
78 HB3 LYS 14 2HB LYS 14 -5.244 8.305 -4.247
79 HG2 LYS 14 1HG LYS 14 -6.104 7.076 -2.063
80 HG3 LYS 14 2HG LYS 14 -6.827 8.658 -1.767
81 HD2 LYS 14 1HD LYS 14 -8.183 8.535 -3.633
82 HD3 LYS 14 2HD LYS 14 -7.129 7.377 -4.449
83 HE2 LYS 14 1HE LYS 14 -7.924 5.585 -3.192
84 HE3 LYS 14 2HE LYS 14 -8.561 6.632 -1.925
85 HZ1 LYS 14 3HZ LYS 14 -10.244 7.411 -3.509
86 HZ2 LYS 14 1HZ LYS 14 -10.352 5.744 -3.238
87 HZ3 LYS 14 2HZ LYS 14 -9.659 6.325 -4.667
88 H CYS 15 H CYS 15 -4.282 6.284 -1.174
89 HA CYS 15 HA CYS 15 -2.463 4.585 -2.639
90 HB2 CYS 15 1HB CYS 15 -2.516 4.301 -0.259
91 HB3 CYS 15 2HB CYS 15 -4.265 4.096 -0.265
92 H SER 16 H SER 16 -3.092 3.800 -4.540
93 HA SER 16 HA SER 16 -5.871 3.310 -5.136
94 HB2 SER 16 1HB SER 16 -4.069 4.180 -6.764
95 HB3 SER 16 2HB SER 16 -3.551 2.498 -6.879
96 HG SER 16 HG SER 16 -5.064 3.013 -8.501
97 H ASP 17 H ASP 17 -5.059 1.745 -2.999
98 HA ASP 17 HA ASP 17 -5.271 -0.943 -4.170
99 HB2 ASP 17 1HB ASP 17 -2.941 -0.340 -3.237
100 HB3 ASP 17 2HB ASP 17 -3.702 -0.443 -1.651
101 H CYS 18 H CYS 18 -5.531 0.890 -1.125
102 HA CYS 18 HA CYS 18 -7.854 -0.781 -0.424
103 HB2 CYS 18 1HB CYS 18 -7.383 -0.286 1.911
104 HB3 CYS 18 2HB CYS 18 -5.949 -0.960 1.143
105 H GLY 19 H GLY 19 -6.560 2.525 -0.256
106 HA2 GLY 19 1HA GLY 19 -8.166 4.232 -1.155
107 HA3 GLY 19 2HA GLY 19 -9.346 3.495 -0.082
108 H LYS 20 H LYS 20 -6.012 4.738 0.179
109 HA LYS 20 HA LYS 20 -6.894 6.304 2.512
110 HB2 LYS 20 1HB LYS 20 -5.378 4.179 2.876
111 HB3 LYS 20 2HB LYS 20 -4.095 5.262 2.352
112 HG2 LYS 20 1HG LYS 20 -4.530 6.762 4.162
113 HG3 LYS 20 2HG LYS 20 -5.974 5.859 4.625
114 HD2 LYS 20 1HD LYS 20 -4.356 3.862 4.897
115 HD3 LYS 20 2HD LYS 20 -3.090 5.092 4.917
116 HE2 LYS 20 1HE LYS 20 -4.448 6.232 6.741
117 HE3 LYS 20 2HE LYS 20 -5.384 4.741 6.830
118 HZ1 LYS 20 3HZ LYS 20 -2.442 4.909 7.195
119 HZ2 LYS 20 1HZ LYS 20 -3.403 3.530 7.388
120 HZ3 LYS 20 2HZ LYS 20 -3.566 4.831 8.457
121 H ALA 21 H ALA 21 -6.642 8.407 2.203
122 HA ALA 21 HA ALA 21 -4.864 9.351 0.092
123 HB1 ALA 21 3HB ALA 21 -6.029 11.424 0.216
124 HB2 ALA 21 1HB ALA 21 -7.236 10.139 0.275
125 HB3 ALA 21 2HB ALA 21 -6.773 10.984 1.753
126 H PHE 22 H PHE 22 -3.299 10.979 0.421
127 HA PHE 22 HA PHE 22 -2.520 11.490 3.202
128 HB2 PHE 22 1HB PHE 22 -0.612 10.600 1.030
129 HB3 PHE 22 2HB PHE 22 -0.166 11.051 2.672
130 HD1 PHE 22 HD1 PHE 22 -2.284 8.640 0.790
131 HD2 PHE 22 HD2 PHE 22 -0.014 9.424 4.304
132 HE1 PHE 22 HE1 PHE 22 -2.597 6.307 1.509
133 HE2 PHE 22 HE2 PHE 22 -0.322 7.092 5.028
134 HZ PHE 22 HZ PHE 22 -1.615 5.530 3.629
135 H THR 23 H THR 23 -0.654 13.163 3.217
136 HA THR 23 HA THR 23 -1.360 15.280 1.295
137 HB THR 23 HB THR 23 -0.285 15.542 4.110
138 HG1 THR 23 HG1 THR 23 -2.743 16.583 3.221
139 HG21 THR 23 3HG2 THR 23 -0.935 18.011 3.617
140 HG22 THR 23 1HG2 THR 23 -0.755 17.539 1.928
141 HG23 THR 23 2HG2 THR 23 0.611 17.394 3.035
142 H ARG 24 H ARG 24 1.290 13.620 2.901
143 HA ARG 24 HA ARG 24 3.207 15.086 1.221
144 HB2 ARG 24 1HB ARG 24 4.835 13.805 2.880
145 HB3 ARG 24 2HB ARG 24 4.075 15.327 3.322
146 HG2 ARG 24 1HG ARG 24 2.363 14.150 4.563
147 HG3 ARG 24 2HG ARG 24 3.040 12.599 4.062
148 HD2 ARG 24 1HD ARG 24 4.534 14.672 5.660
149 HD3 ARG 24 2HD ARG 24 3.683 13.298 6.365
150 HE ARG 24 HE ARG 24 5.621 12.582 4.359
151 HH11 ARG 24 1HH1 ARG 24 5.078 13.231 7.736
152 HH12 ARG 24 2HH1 ARG 24 6.451 12.317 8.266
153 HH21 ARG 24 1HH2 ARG 24 7.431 11.376 5.044
154 HH22 ARG 24 2HH2 ARG 24 7.789 11.263 6.734
155 H LYS 25 H LYS 25 4.576 14.022 -0.152
156 HA LYS 25 HA LYS 25 3.774 11.714 -1.411
157 HB2 LYS 25 1HB LYS 25 5.394 13.226 -2.402
158 HB3 LYS 25 2HB LYS 25 6.572 12.832 -1.157
159 HG2 LYS 25 1HG LYS 25 7.272 11.592 -2.986
160 HG3 LYS 25 2HG LYS 25 6.374 10.421 -2.017
161 HD2 LYS 25 1HD LYS 25 5.455 9.994 -4.062
162 HD3 LYS 25 2HD LYS 25 4.365 11.273 -3.522
163 HE2 LYS 25 1HE LYS 25 6.831 11.775 -5.178
164 HE3 LYS 25 2HE LYS 25 5.233 11.508 -5.872
165 HZ1 LYS 25 3HZ LYS 25 4.650 13.417 -4.152
166 HZ2 LYS 25 1HZ LYS 25 5.181 13.749 -5.724
167 HZ3 LYS 25 2HZ LYS 25 6.269 13.819 -4.431
168 H SER 26 H SER 26 6.347 11.992 1.040
169 HA SER 26 HA SER 26 6.945 9.261 1.198
170 HB2 SER 26 1HB SER 26 7.306 11.566 3.095
171 HB3 SER 26 2HB SER 26 7.742 9.927 3.579
172 HG SER 26 HG SER 26 9.523 10.989 2.665
173 H GLY 27 H GLY 27 4.617 11.234 2.995
174 HA2 GLY 27 1HA GLY 27 3.780 9.551 4.964
175 HA3 GLY 27 2HA GLY 27 2.681 10.595 4.075
176 H LEU 28 H LEU 28 2.914 9.338 1.544
177 HA LEU 28 HA LEU 28 1.192 7.055 2.027
178 HB2 LEU 28 1HB LEU 28 0.323 8.372 0.348
179 HB3 LEU 28 2HB LEU 28 1.908 8.724 -0.337
180 HG LEU 28 HG LEU 28 1.948 6.304 -1.111
181 HD11 LEU 28 1HD1 LEU 28 0.252 5.334 0.234
182 HD12 LEU 28 2HD1 LEU 28 -0.345 5.330 -1.425
183 HD13 LEU 28 3HD1 LEU 28 -0.935 6.534 -0.280
184 HD21 LEU 28 3HD2 LEU 28 0.720 8.625 -2.205
185 HD22 LEU 28 1HD2 LEU 28 -0.224 7.213 -2.683
186 HD23 LEU 28 2HD2 LEU 28 1.501 7.286 -3.048
187 H HIS 29 H HIS 29 4.144 7.696 0.133
188 HA HIS 29 HA HIS 29 4.774 5.288 -0.874
189 HB2 HIS 29 1HB HIS 29 6.168 7.531 -0.658
190 HB3 HIS 29 2HB HIS 29 6.966 6.642 0.636
191 HD2 HIS 29 HD2 HIS 29 5.965 5.186 -2.902
192 HE1 HIS 29 HE1 HIS 29 10.153 4.810 -2.338
193 HE2 HIS 29 HE2 HIS 29 8.215 4.380 -3.889
194 H ILE 30 H ILE 30 5.272 6.229 2.509
195 HA ILE 30 HA ILE 30 6.462 3.800 3.328
196 HB ILE 30 HB ILE 30 4.959 5.862 4.942
197 HG12 ILE 30 1HG1 ILE 30 7.922 5.453 5.002
198 HG13 ILE 30 2HG1 ILE 30 7.213 6.339 3.656
199 HG21 ILE 30 1HG2 ILE 30 6.116 4.853 6.891
200 HG22 ILE 30 2HG2 ILE 30 4.935 3.780 6.141
201 HG23 ILE 30 3HG2 ILE 30 6.656 3.541 5.844
202 HD11 ILE 30 3HD1 ILE 30 6.470 8.060 5.026
203 HD12 ILE 30 1HD1 ILE 30 6.604 7.084 6.488
204 HD13 ILE 30 2HD1 ILE 30 8.060 7.659 5.675
205 H HIS 31 H HIS 31 3.116 4.984 3.500
206 HA HIS 31 HA HIS 31 1.997 2.797 4.822
207 HB2 HIS 31 1HB HIS 31 0.558 4.606 4.685
208 HB3 HIS 31 2HB HIS 31 0.923 4.901 2.987
209 HD1 HIS 31 HD1 HIS 31 -1.016 2.476 5.156
210 HD2 HIS 31 HD2 HIS 31 -0.867 3.825 1.230
211 HE1 HIS 31 HE1 HIS 31 -3.016 1.460 4.020
212 H GLN 32 H GLN 32 2.551 3.352 1.374
213 HA GLN 32 HA GLN 32 1.189 1.216 0.288
214 HB2 GLN 32 1HB GLN 32 3.869 2.309 -0.584
215 HB3 GLN 32 2HB GLN 32 2.811 1.306 -1.567
216 HG2 GLN 32 1HG GLN 32 1.085 3.235 -1.010
217 HG3 GLN 32 2HG GLN 32 2.572 4.163 -0.823
218 HE21 GLN 32 1HE2 GLN 32 0.275 3.064 -2.974
219 HE22 GLN 32 2HE2 GLN 32 1.119 3.375 -4.449
220 H GLN 33 H GLN 33 4.465 1.260 1.642
221 HA GLN 33 HA GLN 33 5.313 -1.278 1.022
222 HB2 GLN 33 1HB GLN 33 5.753 0.150 3.650
223 HB3 GLN 33 2HB GLN 33 6.732 -1.165 3.012
224 HG2 GLN 33 1HG GLN 33 7.559 0.187 1.251
225 HG3 GLN 33 2HG GLN 33 6.389 1.461 1.595
226 HE21 GLN 33 1HE2 GLN 33 8.522 2.648 1.536
227 HE22 GLN 33 2HE2 GLN 33 9.347 2.830 3.043
228 H SER 34 H SER 34 3.190 -0.279 3.666
229 HA SER 34 HA SER 34 3.018 -2.617 5.110
230 HB2 SER 34 1HB SER 34 1.830 -0.274 5.393
231 HB3 SER 34 2HB SER 34 0.499 -1.093 4.575
232 HG SER 34 HG SER 34 0.437 -1.265 6.890
233 H HIS 35 H HIS 35 1.660 -1.874 1.991
234 HA HIS 35 HA HIS 35 -0.062 -4.195 1.953
235 HB2 HIS 35 1HB HIS 35 0.684 -2.210 -0.202
236 HB3 HIS 35 2HB HIS 35 -0.482 -3.513 -0.413
237 HD1 HIS 35 HD1 HIS 35 -2.254 -3.330 1.950
238 HD2 HIS 35 HD2 HIS 35 -0.741 0.059 0.082
239 HE1 HIS 35 HE1 HIS 35 -3.820 -1.462 2.574
240 H THR 36 H THR 36 2.467 -5.029 2.520
241 HA THR 36 HA THR 36 4.153 -5.692 0.421
242 HB THR 36 HB THR 36 4.886 -7.626 1.841
243 HG1 THR 36 HG1 THR 36 2.932 -6.634 3.665
244 HG21 THR 36 3HG2 THR 36 6.031 -6.281 3.329
245 HG22 THR 36 1HG2 THR 36 4.641 -5.235 3.618
246 HG23 THR 36 2HG2 THR 36 5.543 -5.106 2.108
247 H GLY 37 H GLY 37 4.009 -7.030 -1.262
248 HA2 GLY 37 1HA GLY 37 3.296 -9.500 -1.665
249 HA3 GLY 37 2HA GLY 37 1.693 -8.832 -1.395
250 H GLU 38 H GLU 38 4.278 -9.233 -3.621
251 HA GLU 38 HA GLU 38 2.601 -8.109 -5.736
252 HB2 GLU 38 1HB GLU 38 4.560 -6.970 -6.747
253 HB3 GLU 38 2HB GLU 38 4.087 -6.284 -5.199
254 HG2 GLU 38 1HG GLU 38 5.887 -7.647 -4.135
255 HG3 GLU 38 2HG GLU 38 6.416 -8.102 -5.753
256 H ARG 39 H ARG 39 3.147 -8.870 -7.864
257 HA ARG 39 HA ARG 39 3.702 -11.600 -7.987
258 HB2 ARG 39 1HB ARG 39 2.603 -9.914 -9.710
259 HB3 ARG 39 2HB ARG 39 4.230 -9.890 -10.374
260 HG2 ARG 39 1HG ARG 39 4.052 -12.452 -10.369
261 HG3 ARG 39 2HG ARG 39 2.319 -12.183 -10.169
262 HD2 ARG 39 1HD ARG 39 2.139 -11.083 -12.233
263 HD3 ARG 39 2HD ARG 39 3.882 -10.837 -12.349
264 HE ARG 39 HE ARG 39 2.414 -13.129 -13.200
265 HH11 ARG 39 1HH1 ARG 39 5.477 -12.079 -11.920
266 HH12 ARG 39 2HH1 ARG 39 6.361 -13.409 -12.592
267 HH21 ARG 39 1HH2 ARG 39 3.568 -14.885 -14.090
268 HH22 ARG 39 2HH2 ARG 39 5.275 -15.004 -13.827
269 H HIS 40 H HIS 40 5.798 -8.814 -8.612
270 HA HIS 40 HA HIS 40 8.062 -10.473 -9.267
271 HB2 HIS 40 1HB HIS 40 7.889 -8.329 -10.356
272 HB3 HIS 40 2HB HIS 40 7.792 -7.497 -8.806
273 HD2 HIS 40 HD2 HIS 40 10.527 -9.645 -10.707
274 HE1 HIS 40 HE1 HIS 40 12.421 -6.714 -8.295
275 HE2 HIS 40 HE2 HIS 40 12.750 -8.509 -10.031
276 H SER 41 H SER 41 8.093 -11.744 -7.306
277 HA SER 41 HA SER 41 9.962 -10.752 -5.407
278 HB2 SER 41 1HB SER 41 7.617 -9.799 -4.721
279 HB3 SER 41 2HB SER 41 7.336 -11.436 -4.129
280 HG SER 41 HG SER 41 9.739 -10.224 -3.421
281 H GLY 42 H GLY 42 10.925 -12.391 -4.250
282 HA2 GLY 42 1HA GLY 42 10.525 -15.042 -5.236
283 HA3 GLY 42 2HA GLY 42 11.649 -14.561 -3.973
284 HA PRO 43 HA PRO 43 7.598 -16.621 -2.365
285 HB2 PRO 43 1HB PRO 43 8.260 -19.253 -2.459
286 HB3 PRO 43 2HB PRO 43 7.411 -18.428 -3.772
287 HG2 PRO 43 1HG PRO 43 10.319 -19.092 -3.519
288 HG3 PRO 43 2HG PRO 43 9.256 -19.243 -4.930
289 HD2 PRO 43 1HD PRO 43 10.978 -17.176 -4.617
290 HD3 PRO 43 2HD PRO 43 9.419 -17.003 -5.449
291 H SER 44 H SER 44 10.986 -17.583 -1.997
292 HA SER 44 HA SER 44 10.666 -18.437 0.721
293 HB2 SER 44 1HB SER 44 13.023 -18.010 -1.094
294 HB3 SER 44 2HB SER 44 13.264 -18.300 0.629
295 HG SER 44 HG SER 44 12.864 -20.092 -1.240
296 H SER 45 H SER 45 9.904 -16.826 2.012
297 HA SER 45 HA SER 45 11.688 -14.517 2.385
298 HB2 SER 45 1HB SER 45 9.823 -13.021 2.641
299 HB3 SER 45 2HB SER 45 9.603 -13.888 1.121
300 HG SER 45 HG SER 45 7.712 -14.323 1.936
301 H GLY 46 H GLY 46 9.097 -16.500 3.784
302 HA2 GLY 46 1HA GLY 46 8.818 -17.288 5.928
303 HA3 GLY 46 2HA GLY 46 10.471 -16.787 6.257
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -28.837 8.565 -2.233
2 HA2 GLY 1 1HA GLY 1 -27.724 9.940 -3.706
3 HA3 GLY 1 2HA GLY 1 -29.076 11.057 -3.596
4 H SER 2 H SER 2 -25.871 10.849 -3.148
5 HA SER 2 HA SER 2 -25.822 12.625 -0.809
6 HB2 SER 2 1HB SER 2 -24.372 10.555 -0.835
7 HB3 SER 2 2HB SER 2 -23.457 11.299 -2.146
8 HG SER 2 HG SER 2 -23.428 13.156 -0.463
9 H SER 3 H SER 3 -25.527 14.729 -1.085
10 HA SER 3 HA SER 3 -24.988 15.783 -3.717
11 HB2 SER 3 1HB SER 3 -25.867 16.898 -1.099
12 HB3 SER 3 2HB SER 3 -25.068 17.999 -2.222
13 HG SER 3 HG SER 3 -27.479 16.578 -2.534
14 H GLY 4 H GLY 4 -22.984 15.973 -4.458
15 HA2 GLY 4 1HA GLY 4 -20.914 17.256 -4.291
16 HA3 GLY 4 2HA GLY 4 -20.889 16.865 -2.578
17 H SER 5 H SER 5 -20.399 15.618 -5.818
18 HA SER 5 HA SER 5 -19.464 13.052 -4.875
19 HB2 SER 5 1HB SER 5 -18.989 12.608 -7.257
20 HB3 SER 5 2HB SER 5 -20.633 13.204 -7.024
21 HG SER 5 HG SER 5 -19.480 14.213 -8.779
22 H SER 6 H SER 6 -17.988 15.833 -6.544
23 HA SER 6 HA SER 6 -15.371 14.931 -5.533
24 HB2 SER 6 1HB SER 6 -14.407 16.242 -7.447
25 HB3 SER 6 2HB SER 6 -15.385 14.860 -7.942
26 HG SER 6 HG SER 6 -17.061 16.253 -8.433
27 H GLY 7 H GLY 7 -14.282 16.238 -4.200
28 HA2 GLY 7 1HA GLY 7 -13.779 18.809 -4.069
29 HA3 GLY 7 2HA GLY 7 -15.468 18.846 -3.586
30 H THR 8 H THR 8 -15.874 16.951 -1.857
31 HA THR 8 HA THR 8 -14.459 17.787 0.463
32 HB THR 8 HB THR 8 -16.303 15.409 0.162
33 HG1 THR 8 HG1 THR 8 -17.930 16.792 0.397
34 HG21 THR 8 3HG2 THR 8 -14.942 15.368 2.207
35 HG22 THR 8 1HG2 THR 8 -16.644 15.652 2.568
36 HG23 THR 8 2HG2 THR 8 -15.499 16.993 2.606
37 H GLY 9 H GLY 9 -12.298 17.295 0.368
38 HA2 GLY 9 1HA GLY 9 -10.618 15.816 1.136
39 HA3 GLY 9 2HA GLY 9 -11.649 14.460 0.706
40 H GLU 10 H GLU 10 -9.838 17.139 -0.779
41 HA GLU 10 HA GLU 10 -9.279 15.361 -3.061
42 HB2 GLU 10 1HB GLU 10 -9.569 18.356 -2.912
43 HB3 GLU 10 2HB GLU 10 -8.792 17.560 -4.274
44 HG2 GLU 10 1HG GLU 10 -10.827 16.341 -4.760
45 HG3 GLU 10 2HG GLU 10 -11.612 17.052 -3.351
46 H LYS 11 H LYS 11 -7.431 14.416 -2.211
47 HA LYS 11 HA LYS 11 -5.200 16.200 -1.539
48 HB2 LYS 11 1HB LYS 11 -5.467 13.217 -1.123
49 HB3 LYS 11 2HB LYS 11 -4.136 14.222 -0.564
50 HG2 LYS 11 1HG LYS 11 -6.995 14.565 0.311
51 HG3 LYS 11 2HG LYS 11 -5.784 13.634 1.197
52 HD2 LYS 11 1HD LYS 11 -4.381 15.696 1.299
53 HD3 LYS 11 2HD LYS 11 -5.725 16.587 0.582
54 HE2 LYS 11 1HE LYS 11 -7.145 15.828 2.489
55 HE3 LYS 11 2HE LYS 11 -5.700 15.134 3.223
56 HZ1 LYS 11 3HZ LYS 11 -5.555 17.136 4.189
57 HZ2 LYS 11 1HZ LYS 11 -6.530 17.899 3.036
58 HZ3 LYS 11 2HZ LYS 11 -4.892 17.632 2.713
59 HA PRO 12 HA PRO 12 -3.094 15.379 -5.307
60 HB2 PRO 12 1HB PRO 12 -0.516 15.602 -4.485
61 HB3 PRO 12 2HB PRO 12 -1.591 16.993 -4.664
62 HG2 PRO 12 1HG PRO 12 -0.835 15.490 -2.188
63 HG3 PRO 12 2HG PRO 12 -0.976 17.240 -2.435
64 HD2 PRO 12 1HD PRO 12 -2.912 15.779 -1.232
65 HD3 PRO 12 2HD PRO 12 -3.270 17.214 -2.213
66 H TYR 13 H TYR 13 -2.428 13.461 -2.472
67 HA TYR 13 HA TYR 13 -1.624 11.237 -4.219
68 HB2 TYR 13 1HB TYR 13 -0.427 11.648 -1.485
69 HB3 TYR 13 2HB TYR 13 0.114 10.562 -2.761
70 HD1 TYR 13 HD1 TYR 13 1.134 11.561 -4.847
71 HD2 TYR 13 HD2 TYR 13 0.402 13.849 -1.335
72 HE1 TYR 13 HE1 TYR 13 2.715 13.271 -5.639
73 HE2 TYR 13 HE2 TYR 13 1.980 15.565 -2.118
74 HH TYR 13 HH TYR 13 3.142 15.689 -5.284
75 H LYS 14 H LYS 14 -2.314 9.196 -3.597
76 HA LYS 14 HA LYS 14 -3.641 8.715 -1.111
77 HB2 LYS 14 1HB LYS 14 -5.414 9.969 -2.235
78 HB3 LYS 14 2HB LYS 14 -5.324 8.886 -3.618
79 HG2 LYS 14 1HG LYS 14 -6.061 7.028 -2.217
80 HG3 LYS 14 2HG LYS 14 -6.145 8.110 -0.825
81 HD2 LYS 14 1HD LYS 14 -8.338 8.114 -1.519
82 HD3 LYS 14 2HD LYS 14 -7.708 9.511 -2.394
83 HE2 LYS 14 1HE LYS 14 -8.985 8.253 -3.946
84 HE3 LYS 14 2HE LYS 14 -7.290 7.966 -4.336
85 HZ1 LYS 14 3HZ LYS 14 -7.591 5.927 -2.802
86 HZ2 LYS 14 1HZ LYS 14 -8.176 5.859 -4.388
87 HZ3 LYS 14 2HZ LYS 14 -9.242 6.140 -3.105
88 H CYS 15 H CYS 15 -4.326 6.503 -0.876
89 HA CYS 15 HA CYS 15 -2.888 4.721 -2.710
90 HB2 CYS 15 1HB CYS 15 -2.171 4.476 -0.435
91 HB3 CYS 15 2HB CYS 15 -3.832 4.359 0.137
92 H SER 16 H SER 16 -3.876 3.062 -3.768
93 HA SER 16 HA SER 16 -6.800 3.123 -3.798
94 HB2 SER 16 1HB SER 16 -4.697 2.229 -5.729
95 HB3 SER 16 2HB SER 16 -6.309 1.522 -5.840
96 HG SER 16 HG SER 16 -7.134 3.437 -6.384
97 H ASP 17 H ASP 17 -4.105 1.016 -3.086
98 HA ASP 17 HA ASP 17 -5.228 -1.478 -3.065
99 HB2 ASP 17 1HB ASP 17 -2.846 -0.632 -2.347
100 HB3 ASP 17 2HB ASP 17 -3.542 -0.660 -0.729
101 H CYS 18 H CYS 18 -5.252 0.805 -0.325
102 HA CYS 18 HA CYS 18 -7.505 -0.712 0.809
103 HB2 CYS 18 1HB CYS 18 -6.887 0.160 2.970
104 HB3 CYS 18 2HB CYS 18 -5.450 -0.521 2.214
105 H GLY 19 H GLY 19 -6.310 2.582 0.231
106 HA2 GLY 19 1HA GLY 19 -7.895 4.151 -0.796
107 HA3 GLY 19 2HA GLY 19 -9.123 3.485 0.270
108 H LYS 20 H LYS 20 -5.826 4.778 0.700
109 HA LYS 20 HA LYS 20 -6.917 6.551 2.788
110 HB2 LYS 20 1HB LYS 20 -4.490 4.821 2.759
111 HB3 LYS 20 2HB LYS 20 -4.390 6.364 3.597
112 HG2 LYS 20 1HG LYS 20 -6.062 5.764 5.130
113 HG3 LYS 20 2HG LYS 20 -6.587 4.396 4.146
114 HD2 LYS 20 1HD LYS 20 -4.785 3.088 4.769
115 HD3 LYS 20 2HD LYS 20 -3.788 4.482 5.191
116 HE2 LYS 20 1HE LYS 20 -5.600 4.857 7.031
117 HE3 LYS 20 2HE LYS 20 -5.960 3.153 6.756
118 HZ1 LYS 20 3HZ LYS 20 -3.218 3.317 6.973
119 HZ2 LYS 20 1HZ LYS 20 -4.294 2.694 8.120
120 HZ3 LYS 20 2HZ LYS 20 -3.815 4.314 8.202
121 H ALA 21 H ALA 21 -6.698 8.643 2.374
122 HA ALA 21 HA ALA 21 -4.966 9.503 0.199
123 HB1 ALA 21 3HB ALA 21 -6.497 11.075 -0.150
124 HB2 ALA 21 1HB ALA 21 -7.470 10.311 1.108
125 HB3 ALA 21 2HB ALA 21 -6.386 11.641 1.517
126 H PHE 22 H PHE 22 -3.252 10.893 0.397
127 HA PHE 22 HA PHE 22 -2.470 11.672 3.125
128 HB2 PHE 22 1HB PHE 22 -0.573 10.680 0.990
129 HB3 PHE 22 2HB PHE 22 -0.156 11.130 2.640
130 HD1 PHE 22 HD2 PHE 22 -0.716 9.678 4.505
131 HD2 PHE 22 HD1 PHE 22 -1.623 8.575 0.496
132 HE1 PHE 22 HE2 PHE 22 -1.080 7.355 5.230
133 HE2 PHE 22 HE1 PHE 22 -1.990 6.250 1.215
134 HZ PHE 22 HZ PHE 22 -1.717 5.638 3.584
135 H THR 23 H THR 23 -0.848 13.440 3.161
136 HA THR 23 HA THR 23 -1.565 15.446 1.165
137 HB THR 23 HB THR 23 0.012 15.816 3.718
138 HG1 THR 23 HG1 THR 23 -1.886 15.567 4.617
139 HG21 THR 23 3HG2 THR 23 -0.208 17.508 1.570
140 HG22 THR 23 1HG2 THR 23 0.145 18.003 3.225
141 HG23 THR 23 2HG2 THR 23 -1.512 18.058 2.621
142 H ARG 24 H ARG 24 1.292 13.875 2.538
143 HA ARG 24 HA ARG 24 2.924 15.104 0.420
144 HB2 ARG 24 1HB ARG 24 3.871 13.793 2.974
145 HB3 ARG 24 2HB ARG 24 4.861 14.666 1.812
146 HG2 ARG 24 1HG ARG 24 3.451 16.697 2.326
147 HG3 ARG 24 2HG ARG 24 2.783 15.774 3.674
148 HD2 ARG 24 1HD ARG 24 4.565 17.094 4.535
149 HD3 ARG 24 2HD ARG 24 5.130 15.425 4.478
150 HE ARG 24 HE ARG 24 5.875 16.676 2.095
151 HH11 ARG 24 1HH1 ARG 24 6.578 16.847 5.500
152 HH12 ARG 24 2HH1 ARG 24 8.199 17.415 5.270
153 HH21 ARG 24 1HH2 ARG 24 8.007 17.424 1.779
154 HH22 ARG 24 2HH2 ARG 24 9.010 17.744 3.153
155 H LYS 25 H LYS 25 4.568 13.762 -0.587
156 HA LYS 25 HA LYS 25 3.556 11.357 -1.590
157 HB2 LYS 25 1HB LYS 25 6.177 12.761 -1.700
158 HB3 LYS 25 2HB LYS 25 6.151 11.063 -2.159
159 HG2 LYS 25 1HG LYS 25 4.150 12.922 -3.351
160 HG3 LYS 25 2HG LYS 25 5.812 12.932 -3.947
161 HD2 LYS 25 1HD LYS 25 4.424 10.314 -3.650
162 HD3 LYS 25 2HD LYS 25 3.979 11.354 -5.006
163 HE2 LYS 25 1HE LYS 25 6.850 10.736 -4.409
164 HE3 LYS 25 2HE LYS 25 5.856 9.611 -5.332
165 HZ1 LYS 25 3HZ LYS 25 5.315 11.684 -6.738
166 HZ2 LYS 25 1HZ LYS 25 6.807 10.916 -6.959
167 HZ3 LYS 25 2HZ LYS 25 6.714 12.337 -6.046
168 H SER 26 H SER 26 5.874 11.985 1.001
169 HA SER 26 HA SER 26 6.779 9.415 1.483
170 HB2 SER 26 1HB SER 26 7.349 11.729 2.620
171 HB3 SER 26 2HB SER 26 6.167 11.192 3.812
172 HG SER 26 HG SER 26 8.296 9.534 2.978
173 H GLY 27 H GLY 27 4.130 11.028 3.260
174 HA2 GLY 27 1HA GLY 27 3.169 9.071 4.819
175 HA3 GLY 27 2HA GLY 27 2.092 10.142 3.936
176 H LEU 28 H LEU 28 2.828 9.158 1.319
177 HA LEU 28 HA LEU 28 1.151 6.791 1.308
178 HB2 LEU 28 1HB LEU 28 0.642 8.462 -0.318
179 HB3 LEU 28 2HB LEU 28 2.311 8.499 -0.883
180 HG LEU 28 HG LEU 28 1.993 6.156 -1.710
181 HD11 LEU 28 1HD1 LEU 28 -0.073 5.120 -1.750
182 HD12 LEU 28 2HD1 LEU 28 -0.950 6.624 -1.468
183 HD13 LEU 28 3HD1 LEU 28 -0.055 5.865 -0.151
184 HD21 LEU 28 3HD2 LEU 28 1.690 7.193 -3.646
185 HD22 LEU 28 1HD2 LEU 28 1.089 8.619 -2.800
186 HD23 LEU 28 2HD2 LEU 28 -0.032 7.351 -3.295
187 H HIS 29 H HIS 29 4.467 7.698 0.540
188 HA HIS 29 HA HIS 29 5.328 5.373 -0.712
189 HB2 HIS 29 1HB HIS 29 6.667 7.502 0.892
190 HB3 HIS 29 2HB HIS 29 7.577 6.036 0.538
191 HD2 HIS 29 HD2 HIS 29 6.122 5.924 -2.606
192 HE1 HIS 29 HE1 HIS 29 8.578 9.352 -3.073
193 HE2 HIS 29 HE2 HIS 29 7.179 7.620 -4.249
194 H ILE 30 H ILE 30 5.741 6.176 2.743
195 HA ILE 30 HA ILE 30 6.647 3.655 3.538
196 HB ILE 30 HB ILE 30 5.184 5.769 5.118
197 HG12 ILE 30 1HG1 ILE 30 7.669 5.826 6.071
198 HG13 ILE 30 2HG1 ILE 30 8.036 5.178 4.476
199 HG21 ILE 30 1HG2 ILE 30 4.879 3.615 6.195
200 HG22 ILE 30 2HG2 ILE 30 6.612 3.306 6.110
201 HG23 ILE 30 3HG2 ILE 30 5.998 4.610 7.125
202 HD11 ILE 30 3HD1 ILE 30 6.267 7.383 4.176
203 HD12 ILE 30 1HD1 ILE 30 7.604 7.859 5.222
204 HD13 ILE 30 2HD1 ILE 30 7.930 7.207 3.616
205 H HIS 31 H HIS 31 3.368 5.029 3.835
206 HA HIS 31 HA HIS 31 2.047 2.893 4.926
207 HB2 HIS 31 1HB HIS 31 0.754 4.816 4.662
208 HB3 HIS 31 2HB HIS 31 1.190 4.997 2.965
209 HD1 HIS 31 HD1 HIS 31 -0.809 2.578 5.120
210 HD2 HIS 31 HD2 HIS 31 -0.743 4.150 1.275
211 HE1 HIS 31 HE1 HIS 31 -2.861 1.668 3.986
212 H GLN 32 H GLN 32 2.591 3.475 1.456
213 HA GLN 32 HA GLN 32 1.298 1.328 0.365
214 HB2 GLN 32 1HB GLN 32 3.741 2.850 -0.395
215 HB3 GLN 32 2HB GLN 32 3.408 1.356 -1.260
216 HG2 GLN 32 1HG GLN 32 1.005 2.444 -1.465
217 HG3 GLN 32 2HG GLN 32 1.938 3.927 -1.272
218 HE21 GLN 32 1HE2 GLN 32 1.039 1.394 -3.367
219 HE22 GLN 32 2HE2 GLN 32 1.950 1.897 -4.746
220 H GLN 33 H GLN 33 4.534 1.361 1.802
221 HA GLN 33 HA GLN 33 5.496 -1.103 1.193
222 HB2 GLN 33 1HB GLN 33 5.579 0.183 3.928
223 HB3 GLN 33 2HB GLN 33 6.647 -1.097 3.369
224 HG2 GLN 33 1HG GLN 33 6.474 1.704 2.285
225 HG3 GLN 33 2HG GLN 33 7.778 1.021 3.255
226 HE21 GLN 33 1HE2 GLN 33 8.316 2.200 0.858
227 HE22 GLN 33 2HE2 GLN 33 8.801 1.005 -0.290
228 H SER 34 H SER 34 3.172 -0.378 3.779
229 HA SER 34 HA SER 34 2.905 -2.851 4.936
230 HB2 SER 34 1HB SER 34 0.683 -0.879 4.348
231 HB3 SER 34 2HB SER 34 0.602 -2.186 5.528
232 HG SER 34 HG SER 34 2.594 -1.099 6.408
233 H HIS 35 H HIS 35 1.448 -1.691 1.939
234 HA HIS 35 HA HIS 35 0.040 -4.194 1.524
235 HB2 HIS 35 1HB HIS 35 0.306 -1.868 -0.387
236 HB3 HIS 35 2HB HIS 35 -0.890 -3.159 -0.440
237 HD1 HIS 35 HD1 HIS 35 -1.845 -3.110 2.479
238 HD2 HIS 35 HD2 HIS 35 -1.257 0.289 0.163
239 HE1 HIS 35 HE1 HIS 35 -3.283 -1.329 3.521
240 H THR 36 H THR 36 2.182 -5.346 1.612
241 HA THR 36 HA THR 36 3.271 -5.541 -1.114
242 HB THR 36 HB THR 36 5.499 -6.128 -0.023
243 HG1 THR 36 HG1 THR 36 4.342 -4.734 2.178
244 HG21 THR 36 3HG2 THR 36 5.572 -3.446 0.689
245 HG22 THR 36 1HG2 THR 36 4.279 -3.539 -0.505
246 HG23 THR 36 2HG2 THR 36 5.897 -4.115 -0.910
247 H GLY 37 H GLY 37 2.598 -7.464 -1.828
248 HA2 GLY 37 1HA GLY 37 2.507 -9.765 -1.993
249 HA3 GLY 37 2HA GLY 37 3.446 -9.862 -0.511
250 H GLU 38 H GLU 38 1.474 -11.675 -0.909
251 HA GLU 38 HA GLU 38 -0.605 -10.793 0.983
252 HB2 GLU 38 1HB GLU 38 -1.261 -11.258 -1.505
253 HB3 GLU 38 2HB GLU 38 -1.127 -12.946 -1.034
254 HG2 GLU 38 1HG GLU 38 -2.797 -11.063 0.573
255 HG3 GLU 38 2HG GLU 38 -3.421 -11.766 -0.918
256 H ARG 39 H ARG 39 -0.069 -11.703 2.866
257 HA ARG 39 HA ARG 39 0.890 -14.480 2.876
258 HB2 ARG 39 1HB ARG 39 2.106 -12.457 4.037
259 HB3 ARG 39 2HB ARG 39 0.917 -12.733 5.304
260 HG2 ARG 39 1HG ARG 39 2.658 -14.020 6.043
261 HG3 ARG 39 2HG ARG 39 1.731 -15.208 5.125
262 HD2 ARG 39 1HD ARG 39 3.825 -15.605 4.294
263 HD3 ARG 39 2HD ARG 39 3.266 -14.384 3.152
264 HE ARG 39 HE ARG 39 4.789 -12.891 4.031
265 HH11 ARG 39 1HH1 ARG 39 4.628 -15.747 6.016
266 HH12 ARG 39 2HH1 ARG 39 6.032 -15.339 6.945
267 HH21 ARG 39 1HH2 ARG 39 6.639 -12.343 5.247
268 HH22 ARG 39 2HH2 ARG 39 7.175 -13.402 6.507
269 H HIS 40 H HIS 40 -1.092 -15.533 2.681
270 HA HIS 40 HA HIS 40 -3.476 -15.068 3.897
271 HB2 HIS 40 1HB HIS 40 -3.684 -17.643 3.994
272 HB3 HIS 40 2HB HIS 40 -3.436 -16.885 2.424
273 HD2 HIS 40 HD2 HIS 40 -1.162 -18.711 5.105
274 HE1 HIS 40 HE1 HIS 40 0.439 -19.307 1.221
275 HE2 HIS 40 HE2 HIS 40 0.610 -19.918 3.659
276 H SER 41 H SER 41 -0.713 -16.769 5.332
277 HA SER 41 HA SER 41 -2.016 -17.279 7.813
278 HB2 SER 41 1HB SER 41 -0.082 -18.604 6.956
279 HB3 SER 41 2HB SER 41 0.956 -17.207 7.243
280 HG SER 41 HG SER 41 0.969 -17.653 9.299
281 H GLY 42 H GLY 42 -2.854 -15.332 8.572
282 HA2 GLY 42 1HA GLY 42 -1.680 -13.905 10.474
283 HA3 GLY 42 2HA GLY 42 -1.019 -13.114 9.051
284 HA PRO 43 HA PRO 43 -5.500 -11.749 10.199
285 HB2 PRO 43 1HB PRO 43 -5.022 -9.781 12.008
286 HB3 PRO 43 2HB PRO 43 -5.331 -11.458 12.472
287 HG2 PRO 43 1HG PRO 43 -2.722 -10.010 12.225
288 HG3 PRO 43 2HG PRO 43 -3.265 -11.129 13.489
289 HD2 PRO 43 1HD PRO 43 -1.611 -11.888 11.484
290 HD3 PRO 43 2HD PRO 43 -2.790 -12.993 12.219
291 H SER 44 H SER 44 -5.473 -10.898 8.110
292 HA SER 44 HA SER 44 -4.013 -8.436 7.598
293 HB2 SER 44 1HB SER 44 -5.706 -10.230 5.855
294 HB3 SER 44 2HB SER 44 -5.049 -8.694 5.288
295 HG SER 44 HG SER 44 -2.951 -9.574 5.953
296 H SER 45 H SER 45 -4.865 -6.454 7.642
297 HA SER 45 HA SER 45 -7.797 -6.200 7.786
298 HB2 SER 45 1HB SER 45 -7.552 -4.409 9.409
299 HB3 SER 45 2HB SER 45 -6.721 -5.846 10.004
300 HG SER 45 HG SER 45 -5.686 -3.515 9.844
301 H GLY 46 H GLY 46 -8.724 -4.646 6.553
302 HA2 GLY 46 1HA GLY 46 -8.352 -2.333 5.606
303 HA3 GLY 46 2HA GLY 46 -6.888 -3.015 4.912
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -25.967 2.234 1.019
2 HA2 GLY 1 1HA GLY 1 -27.325 4.418 0.814
3 HA3 GLY 1 2HA GLY 1 -27.414 4.280 2.564
4 H SER 2 H SER 2 -26.112 6.233 0.618
5 HA SER 2 HA SER 2 -23.481 6.248 1.940
6 HB2 SER 2 1HB SER 2 -24.146 6.524 -0.955
7 HB3 SER 2 2HB SER 2 -22.826 7.502 -0.314
8 HG SER 2 HG SER 2 -21.710 5.698 0.184
9 H SER 3 H SER 3 -23.436 7.915 3.284
10 HA SER 3 HA SER 3 -24.351 10.528 2.326
11 HB2 SER 3 1HB SER 3 -25.147 9.280 4.965
12 HB3 SER 3 2HB SER 3 -25.401 10.975 4.550
13 HG SER 3 HG SER 3 -26.862 8.808 3.864
14 H GLY 4 H GLY 4 -22.904 12.079 2.706
15 HA2 GLY 4 1HA GLY 4 -21.535 12.956 4.732
16 HA3 GLY 4 2HA GLY 4 -20.661 11.449 4.498
17 H SER 5 H SER 5 -18.708 12.248 3.887
18 HA SER 5 HA SER 5 -17.103 13.114 2.527
19 HB2 SER 5 1HB SER 5 -19.358 12.773 0.555
20 HB3 SER 5 2HB SER 5 -17.788 13.413 0.069
21 HG SER 5 HG SER 5 -18.145 10.939 1.410
22 H SER 6 H SER 6 -18.410 14.922 4.156
23 HA SER 6 HA SER 6 -18.676 17.315 2.460
24 HB2 SER 6 1HB SER 6 -19.972 16.483 5.015
25 HB3 SER 6 2HB SER 6 -19.679 18.203 4.759
26 HG SER 6 HG SER 6 -21.000 16.539 2.882
27 H GLY 7 H GLY 7 -16.123 16.381 3.022
28 HA2 GLY 7 1HA GLY 7 -15.061 17.794 5.309
29 HA3 GLY 7 2HA GLY 7 -14.139 16.889 4.118
30 H THR 8 H THR 8 -12.912 19.055 4.791
31 HA THR 8 HA THR 8 -13.665 21.165 2.885
32 HB THR 8 HB THR 8 -12.044 22.590 4.180
33 HG1 THR 8 HG1 THR 8 -11.407 21.796 6.225
34 HG21 THR 8 3HG2 THR 8 -14.679 21.769 4.855
35 HG22 THR 8 1HG2 THR 8 -13.897 23.315 5.179
36 HG23 THR 8 2HG2 THR 8 -13.781 22.004 6.354
37 H GLY 9 H GLY 9 -12.779 20.095 1.056
38 HA2 GLY 9 1HA GLY 9 -11.037 20.199 -0.513
39 HA3 GLY 9 2HA GLY 9 -9.911 20.540 0.792
40 H GLU 10 H GLU 10 -9.618 18.638 -1.376
41 HA GLU 10 HA GLU 10 -9.514 16.136 0.179
42 HB2 GLU 10 1HB GLU 10 -10.149 16.666 -2.690
43 HB3 GLU 10 2HB GLU 10 -9.348 15.159 -2.271
44 HG2 GLU 10 1HG GLU 10 -12.035 16.140 -1.367
45 HG3 GLU 10 2HG GLU 10 -11.660 14.707 -2.322
46 H LYS 11 H LYS 11 -7.706 14.714 -0.278
47 HA LYS 11 HA LYS 11 -5.250 16.222 -0.589
48 HB2 LYS 11 1HB LYS 11 -5.994 13.528 0.429
49 HB3 LYS 11 2HB LYS 11 -4.363 13.730 -0.198
50 HG2 LYS 11 1HG LYS 11 -4.206 14.126 2.106
51 HG3 LYS 11 2HG LYS 11 -4.164 15.723 1.355
52 HD2 LYS 11 1HD LYS 11 -6.806 14.627 2.168
53 HD3 LYS 11 2HD LYS 11 -5.718 15.195 3.436
54 HE2 LYS 11 1HE LYS 11 -5.604 17.375 2.444
55 HE3 LYS 11 2HE LYS 11 -6.498 16.828 1.026
56 HZ1 LYS 11 3HZ LYS 11 -7.728 16.607 3.688
57 HZ2 LYS 11 1HZ LYS 11 -8.468 16.777 2.176
58 HZ3 LYS 11 2HZ LYS 11 -7.714 18.105 2.902
59 HA PRO 12 HA PRO 12 -4.478 15.155 -4.785
60 HB2 PRO 12 1HB PRO 12 -1.766 15.286 -4.798
61 HB3 PRO 12 2HB PRO 12 -2.797 16.720 -4.724
62 HG2 PRO 12 1HG PRO 12 -1.372 15.295 -2.510
63 HG3 PRO 12 2HG PRO 12 -1.522 17.038 -2.805
64 HD2 PRO 12 1HD PRO 12 -3.046 15.731 -0.988
65 HD3 PRO 12 2HD PRO 12 -3.638 17.136 -1.896
66 H TYR 13 H TYR 13 -2.555 13.478 -2.317
67 HA TYR 13 HA TYR 13 -2.078 11.237 -4.105
68 HB2 TYR 13 1HB TYR 13 -1.297 11.568 -1.202
69 HB3 TYR 13 2HB TYR 13 -0.700 10.340 -2.312
70 HD1 TYR 13 HD2 TYR 13 -0.521 13.870 -1.351
71 HD2 TYR 13 HD1 TYR 13 0.945 10.889 -4.010
72 HE1 TYR 13 HE2 TYR 13 1.319 15.366 -2.004
73 HE2 TYR 13 HE1 TYR 13 2.790 12.376 -4.669
74 HH TYR 13 HH TYR 13 3.194 14.908 -4.696
75 H LYS 14 H LYS 14 -3.216 9.407 -4.139
76 HA LYS 14 HA LYS 14 -4.908 8.712 -1.853
77 HB2 LYS 14 1HB LYS 14 -6.438 9.878 -3.281
78 HB3 LYS 14 2HB LYS 14 -5.858 9.020 -4.702
79 HG2 LYS 14 1HG LYS 14 -7.783 7.875 -4.315
80 HG3 LYS 14 2HG LYS 14 -6.668 6.914 -3.341
81 HD2 LYS 14 1HD LYS 14 -7.366 8.676 -1.485
82 HD3 LYS 14 2HD LYS 14 -8.811 8.792 -2.492
83 HE2 LYS 14 1HE LYS 14 -8.753 6.189 -2.387
84 HE3 LYS 14 2HE LYS 14 -7.738 6.452 -0.970
85 HZ1 LYS 14 3HZ LYS 14 -9.577 7.948 -0.153
86 HZ2 LYS 14 1HZ LYS 14 -9.925 6.293 -0.179
87 HZ3 LYS 14 2HZ LYS 14 -10.542 7.305 -1.385
88 H CYS 15 H CYS 15 -4.128 6.793 -1.269
89 HA CYS 15 HA CYS 15 -2.690 5.019 -2.850
90 HB2 CYS 15 1HB CYS 15 -2.591 4.817 -0.466
91 HB3 CYS 15 2HB CYS 15 -4.328 4.550 -0.356
92 H SER 16 H SER 16 -3.199 3.464 -4.270
93 HA SER 16 HA SER 16 -6.045 3.055 -4.860
94 HB2 SER 16 1HB SER 16 -4.509 3.871 -6.681
95 HB3 SER 16 2HB SER 16 -3.673 2.321 -6.589
96 HG SER 16 HG SER 16 -5.789 2.871 -8.007
97 H ASP 17 H ASP 17 -5.158 1.724 -2.635
98 HA ASP 17 HA ASP 17 -5.244 -1.065 -3.555
99 HB2 ASP 17 1HB ASP 17 -3.529 -0.047 -1.279
100 HB3 ASP 17 2HB ASP 17 -3.689 -1.728 -1.782
101 H CYS 18 H CYS 18 -5.633 1.116 -0.777
102 HA CYS 18 HA CYS 18 -7.853 -0.596 0.136
103 HB2 CYS 18 1HB CYS 18 -7.339 0.196 2.438
104 HB3 CYS 18 2HB CYS 18 -6.034 -0.744 1.723
105 H GLY 19 H GLY 19 -6.587 2.731 0.157
106 HA2 GLY 19 1HA GLY 19 -8.282 4.334 -0.852
107 HA3 GLY 19 2HA GLY 19 -9.370 3.690 0.368
108 H LYS 20 H LYS 20 -5.943 4.548 0.657
109 HA LYS 20 HA LYS 20 -6.711 6.500 2.727
110 HB2 LYS 20 1HB LYS 20 -4.490 4.522 2.550
111 HB3 LYS 20 2HB LYS 20 -4.160 6.050 3.356
112 HG2 LYS 20 1HG LYS 20 -5.703 5.637 5.044
113 HG3 LYS 20 2HG LYS 20 -6.548 4.407 4.101
114 HD2 LYS 20 1HD LYS 20 -4.934 2.798 4.512
115 HD3 LYS 20 2HD LYS 20 -3.686 3.995 4.867
116 HE2 LYS 20 1HE LYS 20 -4.434 4.332 7.018
117 HE3 LYS 20 2HE LYS 20 -6.078 3.821 6.640
118 HZ1 LYS 20 3HZ LYS 20 -3.797 2.243 7.461
119 HZ2 LYS 20 1HZ LYS 20 -4.704 1.569 6.202
120 HZ3 LYS 20 2HZ LYS 20 -5.450 1.950 7.671
121 H ALA 21 H ALA 21 -6.267 8.561 2.329
122 HA ALA 21 HA ALA 21 -4.472 9.205 0.099
123 HB1 ALA 21 3HB ALA 21 -6.846 10.517 1.293
124 HB2 ALA 21 1HB ALA 21 -5.601 11.559 0.603
125 HB3 ALA 21 2HB ALA 21 -6.381 10.334 -0.398
126 H PHE 22 H PHE 22 -3.098 11.138 0.321
127 HA PHE 22 HA PHE 22 -2.327 11.805 3.057
128 HB2 PHE 22 1HB PHE 22 -0.314 10.855 1.010
129 HB3 PHE 22 2HB PHE 22 0.025 11.352 2.665
130 HD1 PHE 22 HD1 PHE 22 -1.887 8.840 0.701
131 HD2 PHE 22 HD2 PHE 22 0.080 9.775 4.358
132 HE1 PHE 22 HE1 PHE 22 -2.188 6.516 1.454
133 HE2 PHE 22 HE2 PHE 22 -0.216 7.453 5.116
134 HZ PHE 22 HZ PHE 22 -1.351 5.820 3.663
135 H THR 23 H THR 23 -0.529 13.535 2.988
136 HA THR 23 HA THR 23 -1.313 15.510 0.959
137 HB THR 23 HB THR 23 0.017 15.936 3.643
138 HG1 THR 23 HG1 THR 23 -2.418 15.378 3.265
139 HG21 THR 23 3HG2 THR 23 -0.828 18.360 3.022
140 HG22 THR 23 1HG2 THR 23 -0.635 17.758 1.376
141 HG23 THR 23 2HG2 THR 23 0.743 17.775 2.477
142 H ARG 24 H ARG 24 1.399 13.761 2.265
143 HA ARG 24 HA ARG 24 3.163 15.120 0.333
144 HB2 ARG 24 1HB ARG 24 3.843 13.913 3.019
145 HB3 ARG 24 2HB ARG 24 5.041 14.463 1.855
146 HG2 ARG 24 1HG ARG 24 2.959 16.164 3.211
147 HG3 ARG 24 2HG ARG 24 4.687 16.135 3.564
148 HD2 ARG 24 1HD ARG 24 5.006 16.760 1.100
149 HD3 ARG 24 2HD ARG 24 3.288 17.154 1.112
150 HE ARG 24 HE ARG 24 4.614 18.431 3.262
151 HH11 ARG 24 1HH1 ARG 24 4.205 18.587 -0.192
152 HH12 ARG 24 2HH1 ARG 24 4.497 20.293 -0.281
153 HH21 ARG 24 1HH2 ARG 24 5.000 20.677 3.158
154 HH22 ARG 24 2HH2 ARG 24 4.950 21.480 1.626
155 H LYS 25 H LYS 25 5.061 13.702 -0.319
156 HA LYS 25 HA LYS 25 4.073 11.357 -1.543
157 HB2 LYS 25 1HB LYS 25 6.731 12.685 -1.317
158 HB3 LYS 25 2HB LYS 25 6.695 11.005 -1.838
159 HG2 LYS 25 1HG LYS 25 4.970 13.062 -3.162
160 HG3 LYS 25 2HG LYS 25 6.662 12.853 -3.620
161 HD2 LYS 25 1HD LYS 25 6.090 10.371 -3.886
162 HD3 LYS 25 2HD LYS 25 4.402 10.884 -3.833
163 HE2 LYS 25 1HE LYS 25 4.833 10.881 -6.102
164 HE3 LYS 25 2HE LYS 25 5.129 12.566 -5.675
165 HZ1 LYS 25 3HZ LYS 25 6.879 11.717 -7.090
166 HZ2 LYS 25 1HZ LYS 25 7.203 10.465 -5.999
167 HZ3 LYS 25 2HZ LYS 25 7.499 12.071 -5.557
168 H SER 26 H SER 26 6.639 11.686 0.919
169 HA SER 26 HA SER 26 7.060 9.058 1.516
170 HB2 SER 26 1HB SER 26 6.929 11.295 3.553
171 HB3 SER 26 2HB SER 26 7.802 9.773 3.729
172 HG SER 26 HG SER 26 8.802 10.606 1.595
173 H GLY 27 H GLY 27 4.741 11.148 3.253
174 HA2 GLY 27 1HA GLY 27 3.565 9.512 5.001
175 HA3 GLY 27 2HA GLY 27 2.606 10.594 4.002
176 H LEU 28 H LEU 28 2.996 9.343 1.511
177 HA LEU 28 HA LEU 28 1.169 7.115 1.825
178 HB2 LEU 28 1HB LEU 28 0.562 8.573 0.099
179 HB3 LEU 28 2HB LEU 28 2.211 8.671 -0.516
180 HG LEU 28 HG LEU 28 1.932 6.216 -1.164
181 HD11 LEU 28 1HD1 LEU 28 -0.252 6.178 0.291
182 HD12 LEU 28 2HD1 LEU 28 -0.131 5.224 -1.187
183 HD13 LEU 28 3HD1 LEU 28 -0.995 6.762 -1.198
184 HD21 LEU 28 3HD2 LEU 28 1.164 6.809 -3.277
185 HD22 LEU 28 1HD2 LEU 28 1.796 8.326 -2.638
186 HD23 LEU 28 2HD2 LEU 28 0.057 8.028 -2.642
187 H HIS 29 H HIS 29 4.332 7.669 0.283
188 HA HIS 29 HA HIS 29 4.937 5.208 -0.679
189 HB2 HIS 29 1HB HIS 29 6.614 7.305 0.637
190 HB3 HIS 29 2HB HIS 29 7.352 5.759 0.227
191 HD2 HIS 29 HD2 HIS 29 6.026 5.337 -2.735
192 HE1 HIS 29 HE1 HIS 29 7.730 9.129 -3.582
193 HE2 HIS 29 HE2 HIS 29 6.688 7.052 -4.555
194 H ILE 30 H ILE 30 5.349 6.239 2.697
195 HA ILE 30 HA ILE 30 6.388 3.811 3.658
196 HB ILE 30 HB ILE 30 4.783 5.890 5.152
197 HG12 ILE 30 1HG1 ILE 30 7.763 5.593 5.272
198 HG13 ILE 30 2HG1 ILE 30 7.032 6.466 3.930
199 HG21 ILE 30 1HG2 ILE 30 6.252 3.449 6.012
200 HG22 ILE 30 2HG2 ILE 30 6.281 4.868 7.058
201 HG23 ILE 30 3HG2 ILE 30 4.742 4.130 6.616
202 HD11 ILE 30 3HD1 ILE 30 6.420 7.143 6.784
203 HD12 ILE 30 1HD1 ILE 30 7.804 7.823 5.928
204 HD13 ILE 30 2HD1 ILE 30 6.168 8.121 5.338
205 H HIS 31 H HIS 31 3.058 5.052 3.589
206 HA HIS 31 HA HIS 31 1.844 2.871 4.866
207 HB2 HIS 31 1HB HIS 31 0.446 4.709 4.716
208 HB3 HIS 31 2HB HIS 31 0.886 5.038 3.043
209 HD1 HIS 31 HD1 HIS 31 -1.121 2.502 5.034
210 HD2 HIS 31 HD2 HIS 31 -0.922 4.145 1.223
211 HE1 HIS 31 HE1 HIS 31 -3.111 1.583 3.802
212 H GLN 32 H GLN 32 3.008 3.280 1.631
213 HA GLN 32 HA GLN 32 1.521 1.070 0.536
214 HB2 GLN 32 1HB GLN 32 3.894 2.562 -0.595
215 HB3 GLN 32 2HB GLN 32 2.871 1.437 -1.478
216 HG2 GLN 32 1HG GLN 32 1.710 3.864 -0.171
217 HG3 GLN 32 2HG GLN 32 2.479 3.961 -1.755
218 HE21 GLN 32 1HE2 GLN 32 1.581 2.755 -3.486
219 HE22 GLN 32 2HE2 GLN 32 -0.083 2.289 -3.468
220 H GLN 33 H GLN 33 4.177 1.319 2.534
221 HA GLN 33 HA GLN 33 5.708 -0.878 1.487
222 HB2 GLN 33 1HB GLN 33 5.830 0.595 4.121
223 HB3 GLN 33 2HB GLN 33 6.952 -0.676 3.655
224 HG2 GLN 33 1HG GLN 33 7.296 0.845 1.545
225 HG3 GLN 33 2HG GLN 33 6.694 2.100 2.626
226 HE21 GLN 33 1HE2 GLN 33 8.726 3.123 2.519
227 HE22 GLN 33 2HE2 GLN 33 10.076 2.529 3.419
228 H SER 34 H SER 34 2.760 -0.895 2.717
229 HA SER 34 HA SER 34 3.143 -3.498 4.034
230 HB2 SER 34 1HB SER 34 1.169 -2.893 5.498
231 HB3 SER 34 2HB SER 34 2.646 -1.986 5.822
232 HG SER 34 HG SER 34 1.762 -0.208 4.997
233 H HIS 35 H HIS 35 2.417 -2.687 1.272
234 HA HIS 35 HA HIS 35 -0.219 -4.000 1.136
235 HB2 HIS 35 1HB HIS 35 0.892 -1.673 -0.375
236 HB3 HIS 35 2HB HIS 35 -0.240 -2.747 -1.192
237 HD1 HIS 35 HD1 HIS 35 -2.361 -3.259 0.818
238 HD2 HIS 35 HD2 HIS 35 -0.543 0.458 0.441
239 HE1 HIS 35 HE1 HIS 35 -3.987 -1.612 1.802
240 H THR 36 H THR 36 2.478 -5.182 1.129
241 HA THR 36 HA THR 36 2.872 -6.082 -1.604
242 HB THR 36 HB THR 36 4.809 -7.277 -0.775
243 HG1 THR 36 HG1 THR 36 3.720 -6.620 1.763
244 HG21 THR 36 3HG2 THR 36 4.383 -4.435 -0.170
245 HG22 THR 36 1HG2 THR 36 5.675 -5.218 -1.077
246 HG23 THR 36 2HG2 THR 36 5.737 -5.173 0.685
247 H GLY 37 H GLY 37 2.033 -7.517 1.543
248 HA2 GLY 37 1HA GLY 37 0.520 -9.584 0.137
249 HA3 GLY 37 2HA GLY 37 1.830 -10.126 1.176
250 H GLU 38 H GLU 38 -1.429 -9.351 1.027
251 HA GLU 38 HA GLU 38 -1.760 -8.540 3.768
252 HB2 GLU 38 1HB GLU 38 -3.354 -7.714 2.181
253 HB3 GLU 38 2HB GLU 38 -3.721 -9.338 1.618
254 HG2 GLU 38 1HG GLU 38 -4.922 -9.866 3.546
255 HG3 GLU 38 2HG GLU 38 -4.228 -8.523 4.453
256 H ARG 39 H ARG 39 -2.184 -11.506 1.899
257 HA ARG 39 HA ARG 39 -3.505 -13.177 3.543
258 HB2 ARG 39 1HB ARG 39 -2.321 -15.004 2.593
259 HB3 ARG 39 2HB ARG 39 -2.372 -13.753 1.358
260 HG2 ARG 39 1HG ARG 39 -0.010 -13.848 3.154
261 HG3 ARG 39 2HG ARG 39 -0.163 -15.080 1.899
262 HD2 ARG 39 1HD ARG 39 -0.552 -12.205 1.197
263 HD3 ARG 39 2HD ARG 39 1.082 -12.831 1.411
264 HE ARG 39 HE ARG 39 -0.474 -14.471 -0.328
265 HH11 ARG 39 1HH1 ARG 39 1.386 -11.533 -0.165
266 HH12 ARG 39 2HH1 ARG 39 1.784 -11.537 -1.852
267 HH21 ARG 39 1HH2 ARG 39 0.043 -14.488 -2.550
268 HH22 ARG 39 2HH2 ARG 39 1.018 -13.217 -3.207
269 H HIS 40 H HIS 40 -2.841 -14.772 5.142
270 HA HIS 40 HA HIS 40 -0.944 -13.608 7.043
271 HB2 HIS 40 1HB HIS 40 -3.228 -15.542 7.301
272 HB3 HIS 40 2HB HIS 40 -2.007 -15.427 8.565
273 HD2 HIS 40 HD2 HIS 40 -2.107 -13.102 10.117
274 HE1 HIS 40 HE1 HIS 40 -5.658 -11.583 8.362
275 HE2 HIS 40 HE2 HIS 40 -3.949 -11.287 10.188
276 H SER 41 H SER 41 -1.632 -16.604 5.312
277 HA SER 41 HA SER 41 0.016 -18.439 6.358
278 HB2 SER 41 1HB SER 41 -1.253 -18.846 4.310
279 HB3 SER 41 2HB SER 41 -0.177 -17.779 3.409
280 HG SER 41 HG SER 41 1.318 -19.289 3.376
281 H GLY 42 H GLY 42 2.076 -18.554 6.949
282 HA2 GLY 42 1HA GLY 42 4.079 -17.032 5.427
283 HA3 GLY 42 2HA GLY 42 3.989 -16.821 7.170
284 HA PRO 43 HA PRO 43 6.607 -20.262 7.857
285 HB2 PRO 43 1HB PRO 43 5.442 -21.554 9.942
286 HB3 PRO 43 2HB PRO 43 6.259 -19.996 10.113
287 HG2 PRO 43 1HG PRO 43 3.334 -20.584 9.863
288 HG3 PRO 43 2HG PRO 43 4.158 -19.446 10.945
289 HD2 PRO 43 1HD PRO 43 2.924 -18.657 8.668
290 HD3 PRO 43 2HD PRO 43 4.367 -17.842 9.304
291 H SER 44 H SER 44 6.603 -22.730 8.222
292 HA SER 44 HA SER 44 4.958 -23.890 6.135
293 HB2 SER 44 1HB SER 44 7.064 -25.249 7.830
294 HB3 SER 44 2HB SER 44 6.405 -25.814 6.294
295 HG SER 44 HG SER 44 8.428 -24.082 6.756
296 H SER 45 H SER 45 5.780 -24.875 9.466
297 HA SER 45 HA SER 45 3.615 -26.699 9.664
298 HB2 SER 45 1HB SER 45 4.235 -26.908 12.001
299 HB3 SER 45 2HB SER 45 5.701 -26.847 11.022
300 HG SER 45 HG SER 45 5.905 -24.651 11.586
301 H GLY 46 H GLY 46 1.676 -25.703 9.204
302 HA2 GLY 46 1HA GLY 46 -0.263 -24.934 10.497
303 HA3 GLY 46 2HA GLY 46 0.788 -23.715 11.202
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -17.782 -0.731 -2.482
2 HA2 GLY 1 1HA GLY 1 -18.409 1.905 -1.547
3 HA3 GLY 1 2HA GLY 1 -16.675 1.625 -1.617
4 H SER 2 H SER 2 -15.652 1.872 -3.512
5 HA SER 2 HA SER 2 -15.287 2.367 -5.701
6 HB2 SER 2 1HB SER 2 -16.560 0.118 -5.883
7 HB3 SER 2 2HB SER 2 -17.929 1.105 -6.395
8 HG SER 2 HG SER 2 -16.096 2.014 -7.868
9 H SER 3 H SER 3 -16.435 4.365 -4.157
10 HA SER 3 HA SER 3 -17.967 5.813 -6.199
11 HB2 SER 3 1HB SER 3 -19.421 4.882 -4.284
12 HB3 SER 3 2HB SER 3 -18.631 6.091 -3.272
13 HG SER 3 HG SER 3 -19.869 7.546 -4.129
14 H GLY 4 H GLY 4 -17.626 8.042 -6.265
15 HA2 GLY 4 1HA GLY 4 -16.477 9.749 -4.520
16 HA3 GLY 4 2HA GLY 4 -15.088 8.884 -5.160
17 H SER 5 H SER 5 -18.018 10.541 -6.331
18 HA SER 5 HA SER 5 -16.658 11.276 -8.786
19 HB2 SER 5 1HB SER 5 -19.045 10.575 -8.801
20 HB3 SER 5 2HB SER 5 -19.443 12.004 -7.846
21 HG SER 5 HG SER 5 -18.032 12.309 -10.251
22 H SER 6 H SER 6 -15.018 12.600 -7.791
23 HA SER 6 HA SER 6 -15.933 15.351 -7.449
24 HB2 SER 6 1HB SER 6 -14.363 13.790 -5.408
25 HB3 SER 6 2HB SER 6 -14.252 15.548 -5.499
26 HG SER 6 HG SER 6 -16.529 15.614 -5.209
27 H GLY 7 H GLY 7 -13.819 16.779 -7.129
28 HA2 GLY 7 1HA GLY 7 -11.377 15.941 -8.217
29 HA3 GLY 7 2HA GLY 7 -12.364 16.566 -9.530
30 H THR 8 H THR 8 -10.046 17.819 -9.070
31 HA THR 8 HA THR 8 -9.029 19.777 -8.453
32 HB THR 8 HB THR 8 -10.473 21.810 -8.794
33 HG1 THR 8 HG1 THR 8 -12.592 21.550 -9.272
34 HG21 THR 8 3HG2 THR 8 -11.096 20.212 -11.166
35 HG22 THR 8 1HG2 THR 8 -9.423 20.065 -10.630
36 HG23 THR 8 2HG2 THR 8 -10.093 21.653 -11.003
37 H GLY 9 H GLY 9 -9.697 18.329 -6.200
38 HA2 GLY 9 1HA GLY 9 -9.551 20.246 -4.174
39 HA3 GLY 9 2HA GLY 9 -11.232 19.749 -4.300
40 H GLU 10 H GLU 10 -8.558 17.590 -4.960
41 HA GLU 10 HA GLU 10 -9.178 16.151 -2.464
42 HB2 GLU 10 1HB GLU 10 -8.694 15.104 -5.241
43 HB3 GLU 10 2HB GLU 10 -8.433 14.089 -3.830
44 HG2 GLU 10 1HG GLU 10 -11.026 15.456 -4.509
45 HG3 GLU 10 2HG GLU 10 -10.644 13.772 -4.862
46 H LYS 11 H LYS 11 -7.362 14.563 -1.896
47 HA LYS 11 HA LYS 11 -4.992 16.045 -1.476
48 HB2 LYS 11 1HB LYS 11 -5.880 13.250 -0.928
49 HB3 LYS 11 2HB LYS 11 -4.160 13.608 -0.834
50 HG2 LYS 11 1HG LYS 11 -4.815 13.944 1.336
51 HG3 LYS 11 2HG LYS 11 -4.940 15.579 0.683
52 HD2 LYS 11 1HD LYS 11 -7.381 15.028 0.206
53 HD3 LYS 11 2HD LYS 11 -7.148 13.611 1.233
54 HE2 LYS 11 1HE LYS 11 -8.048 15.325 2.608
55 HE3 LYS 11 2HE LYS 11 -6.343 15.173 3.028
56 HZ1 LYS 11 3HZ LYS 11 -6.221 17.042 1.143
57 HZ2 LYS 11 1HZ LYS 11 -6.397 17.394 2.788
58 HZ3 LYS 11 2HZ LYS 11 -7.752 17.380 1.776
59 HA PRO 12 HA PRO 12 -2.704 15.229 -5.147
60 HB2 PRO 12 1HB PRO 12 -0.191 15.570 -4.179
61 HB3 PRO 12 2HB PRO 12 -1.299 16.916 -4.468
62 HG2 PRO 12 1HG PRO 12 -0.646 15.517 -1.903
63 HG3 PRO 12 2HG PRO 12 -0.831 17.253 -2.216
64 HD2 PRO 12 1HD PRO 12 -2.786 15.760 -1.084
65 HD3 PRO 12 2HD PRO 12 -3.132 17.151 -2.131
66 H TYR 13 H TYR 13 -2.344 13.351 -2.276
67 HA TYR 13 HA TYR 13 -1.159 11.179 -3.868
68 HB2 TYR 13 1HB TYR 13 -0.532 11.598 -0.949
69 HB3 TYR 13 2HB TYR 13 0.275 10.530 -2.092
70 HD1 TYR 13 HD1 TYR 13 1.590 11.607 -4.000
71 HD2 TYR 13 HD2 TYR 13 0.256 13.774 -0.589
72 HE1 TYR 13 HE1 TYR 13 3.248 13.361 -4.473
73 HE2 TYR 13 HE2 TYR 13 1.910 15.534 -1.054
74 HH TYR 13 HH TYR 13 3.457 16.281 -2.465
75 H LYS 14 H LYS 14 -2.074 9.207 -3.635
76 HA LYS 14 HA LYS 14 -3.834 8.641 -1.400
77 HB2 LYS 14 1HB LYS 14 -5.315 9.790 -2.991
78 HB3 LYS 14 2HB LYS 14 -4.862 8.642 -4.245
79 HG2 LYS 14 1HG LYS 14 -6.101 6.945 -3.335
80 HG3 LYS 14 2HG LYS 14 -6.009 7.607 -1.701
81 HD2 LYS 14 1HD LYS 14 -7.515 9.011 -3.888
82 HD3 LYS 14 2HD LYS 14 -8.261 7.737 -2.921
83 HE2 LYS 14 1HE LYS 14 -8.222 8.993 -0.994
84 HE3 LYS 14 2HE LYS 14 -6.861 9.974 -1.534
85 HZ1 LYS 14 3HZ LYS 14 -8.246 11.237 -2.921
86 HZ2 LYS 14 1HZ LYS 14 -9.105 11.093 -1.470
87 HZ3 LYS 14 2HZ LYS 14 -9.530 10.142 -2.803
88 H CYS 15 H CYS 15 -4.271 6.431 -1.127
89 HA CYS 15 HA CYS 15 -2.331 4.694 -2.401
90 HB2 CYS 15 1HB CYS 15 -2.888 4.713 0.098
91 HB3 CYS 15 2HB CYS 15 -4.376 3.881 -0.341
92 H SER 16 H SER 16 -2.749 3.431 -4.082
93 HA SER 16 HA SER 16 -5.521 3.104 -4.950
94 HB2 SER 16 1HB SER 16 -3.682 3.913 -6.515
95 HB3 SER 16 2HB SER 16 -3.040 2.271 -6.459
96 HG SER 16 HG SER 16 -5.470 1.837 -7.000
97 H ASP 17 H ASP 17 -4.246 1.600 -2.700
98 HA ASP 17 HA ASP 17 -4.625 -1.127 -3.755
99 HB2 ASP 17 1HB ASP 17 -2.722 -0.013 -1.750
100 HB3 ASP 17 2HB ASP 17 -3.337 -1.641 -1.478
101 H CYS 18 H CYS 18 -5.156 0.984 -0.955
102 HA CYS 18 HA CYS 18 -7.394 -0.766 -0.167
103 HB2 CYS 18 1HB CYS 18 -7.050 -0.003 2.139
104 HB3 CYS 18 2HB CYS 18 -5.597 -0.764 1.502
105 H GLY 19 H GLY 19 -6.245 2.601 -0.193
106 HA2 GLY 19 1HA GLY 19 -7.811 4.205 -1.269
107 HA3 GLY 19 2HA GLY 19 -9.076 3.444 -0.314
108 H LYS 20 H LYS 20 -5.924 5.046 0.135
109 HA LYS 20 HA LYS 20 -7.116 6.541 2.369
110 HB2 LYS 20 1HB LYS 20 -4.653 4.871 2.347
111 HB3 LYS 20 2HB LYS 20 -4.598 6.380 3.248
112 HG2 LYS 20 1HG LYS 20 -6.190 5.686 4.769
113 HG3 LYS 20 2HG LYS 20 -6.854 4.471 3.674
114 HD2 LYS 20 1HD LYS 20 -4.750 3.179 3.911
115 HD3 LYS 20 2HD LYS 20 -4.196 4.361 5.099
116 HE2 LYS 20 1HE LYS 20 -6.814 2.937 5.432
117 HE3 LYS 20 2HE LYS 20 -5.301 2.186 5.936
118 HZ1 LYS 20 3HZ LYS 20 -4.881 4.109 7.358
119 HZ2 LYS 20 1HZ LYS 20 -6.331 3.341 7.772
120 HZ3 LYS 20 2HZ LYS 20 -6.360 4.789 6.897
121 H ALA 21 H ALA 21 -6.727 8.677 2.355
122 HA ALA 21 HA ALA 21 -5.057 9.728 0.193
123 HB1 ALA 21 3HB ALA 21 -6.628 11.278 -0.036
124 HB2 ALA 21 1HB ALA 21 -7.563 10.461 1.218
125 HB3 ALA 21 2HB ALA 21 -6.456 11.765 1.651
126 H PHE 22 H PHE 22 -3.410 11.207 0.527
127 HA PHE 22 HA PHE 22 -2.620 11.706 3.313
128 HB2 PHE 22 1HB PHE 22 -0.725 10.890 1.101
129 HB3 PHE 22 2HB PHE 22 -0.288 11.248 2.768
130 HD1 PHE 22 HD1 PHE 22 -2.415 8.958 0.749
131 HD2 PHE 22 HD2 PHE 22 -0.151 9.533 4.307
132 HE1 PHE 22 HE1 PHE 22 -2.748 6.593 1.338
133 HE2 PHE 22 HE2 PHE 22 -0.479 7.168 4.902
134 HZ PHE 22 HZ PHE 22 -1.778 5.694 3.416
135 H THR 23 H THR 23 -1.158 13.528 3.581
136 HA THR 23 HA THR 23 -1.821 15.666 1.718
137 HB THR 23 HB THR 23 -0.384 15.799 4.377
138 HG1 THR 23 HG1 THR 23 -2.594 15.167 4.544
139 HG21 THR 23 3HG2 THR 23 -0.821 17.750 2.280
140 HG22 THR 23 1HG2 THR 23 0.162 17.870 3.738
141 HG23 THR 23 2HG2 THR 23 -1.557 18.256 3.800
142 H ARG 24 H ARG 24 0.881 13.711 2.662
143 HA ARG 24 HA ARG 24 2.619 15.299 0.889
144 HB2 ARG 24 1HB ARG 24 3.169 13.964 3.506
145 HB3 ARG 24 2HB ARG 24 4.464 14.072 2.321
146 HG2 ARG 24 1HG ARG 24 2.898 16.455 3.271
147 HG3 ARG 24 2HG ARG 24 4.394 15.906 4.029
148 HD2 ARG 24 1HD ARG 24 4.381 16.323 1.086
149 HD3 ARG 24 2HD ARG 24 4.380 17.747 2.125
150 HE ARG 24 HE ARG 24 6.565 15.977 1.645
151 HH11 ARG 24 1HH1 ARG 24 5.123 18.078 4.016
152 HH12 ARG 24 2HH1 ARG 24 6.616 18.389 4.839
153 HH21 ARG 24 1HH2 ARG 24 8.537 16.378 2.720
154 HH22 ARG 24 2HH2 ARG 24 8.557 17.422 4.100
155 H LYS 25 H LYS 25 4.458 13.952 -0.025
156 HA LYS 25 HA LYS 25 3.339 11.747 -1.443
157 HB2 LYS 25 1HB LYS 25 4.930 13.132 -2.576
158 HB3 LYS 25 2HB LYS 25 6.131 12.885 -1.315
159 HG2 LYS 25 1HG LYS 25 6.923 11.453 -2.892
160 HG3 LYS 25 2HG LYS 25 5.849 10.360 -2.016
161 HD2 LYS 25 1HD LYS 25 5.157 9.931 -4.148
162 HD3 LYS 25 2HD LYS 25 4.087 11.283 -3.768
163 HE2 LYS 25 1HE LYS 25 5.681 12.818 -4.841
164 HE3 LYS 25 2HE LYS 25 6.710 11.447 -5.251
165 HZ1 LYS 25 3HZ LYS 25 5.551 11.363 -7.132
166 HZ2 LYS 25 1HZ LYS 25 4.346 12.401 -6.554
167 HZ3 LYS 25 2HZ LYS 25 4.266 10.745 -6.221
168 H SER 26 H SER 26 5.942 12.016 0.971
169 HA SER 26 HA SER 26 6.698 9.380 1.154
170 HB2 SER 26 1HB SER 26 6.612 11.625 3.132
171 HB3 SER 26 2HB SER 26 7.028 10.007 3.696
172 HG SER 26 HG SER 26 8.308 11.211 1.480
173 H GLY 27 H GLY 27 4.230 10.960 3.198
174 HA2 GLY 27 1HA GLY 27 3.300 8.998 4.747
175 HA3 GLY 27 2HA GLY 27 2.195 10.079 3.912
176 H LEU 28 H LEU 28 2.857 9.103 1.262
177 HA LEU 28 HA LEU 28 1.150 6.760 1.283
178 HB2 LEU 28 1HB LEU 28 0.621 8.416 -0.338
179 HB3 LEU 28 2HB LEU 28 2.285 8.470 -0.916
180 HG LEU 28 HG LEU 28 1.989 6.151 -1.781
181 HD11 LEU 28 1HD1 LEU 28 -0.909 6.629 -1.103
182 HD12 LEU 28 2HD1 LEU 28 0.159 5.479 -0.300
183 HD13 LEU 28 3HD1 LEU 28 -0.259 5.255 -1.998
184 HD21 LEU 28 3HD2 LEU 28 1.805 7.596 -3.520
185 HD22 LEU 28 1HD2 LEU 28 0.523 8.533 -2.752
186 HD23 LEU 28 2HD2 LEU 28 0.148 6.989 -3.518
187 H HIS 29 H HIS 29 4.426 7.624 0.243
188 HA HIS 29 HA HIS 29 5.193 5.229 -0.917
189 HB2 HIS 29 1HB HIS 29 6.693 7.381 0.534
190 HB3 HIS 29 2HB HIS 29 7.536 5.918 0.035
191 HD2 HIS 29 HD2 HIS 29 4.897 7.213 -2.465
192 HE1 HIS 29 HE1 HIS 29 8.720 8.344 -3.918
193 HE2 HIS 29 HE2 HIS 29 6.249 8.271 -4.400
194 H ILE 30 H ILE 30 5.611 6.214 2.484
195 HA ILE 30 HA ILE 30 6.644 3.722 3.338
196 HB ILE 30 HB ILE 30 5.253 5.834 4.989
197 HG12 ILE 30 1HG1 ILE 30 7.787 6.280 5.550
198 HG13 ILE 30 2HG1 ILE 30 8.056 5.527 3.982
199 HG21 ILE 30 1HG2 ILE 30 5.816 3.321 5.780
200 HG22 ILE 30 2HG2 ILE 30 7.339 4.121 6.166
201 HG23 ILE 30 3HG2 ILE 30 5.830 4.715 6.859
202 HD11 ILE 30 3HD1 ILE 30 6.036 7.682 4.117
203 HD12 ILE 30 1HD1 ILE 30 7.730 8.140 4.280
204 HD13 ILE 30 2HD1 ILE 30 7.185 7.277 2.842
205 H HIS 31 H HIS 31 3.387 5.094 3.302
206 HA HIS 31 HA HIS 31 2.084 3.104 4.773
207 HB2 HIS 31 1HB HIS 31 0.885 5.101 4.339
208 HB3 HIS 31 2HB HIS 31 1.134 4.965 2.601
209 HD1 HIS 31 HD1 HIS 31 -0.603 2.932 5.317
210 HD2 HIS 31 HD2 HIS 31 -1.054 4.026 1.334
211 HE1 HIS 31 HE1 HIS 31 -2.802 1.948 4.594
212 H GLN 32 H GLN 32 2.865 3.301 1.335
213 HA GLN 32 HA GLN 32 1.405 1.133 0.399
214 HB2 GLN 32 1HB GLN 32 3.874 2.538 -0.480
215 HB3 GLN 32 2HB GLN 32 3.538 0.970 -1.202
216 HG2 GLN 32 1HG GLN 32 1.507 3.178 -1.138
217 HG3 GLN 32 2HG GLN 32 2.693 3.015 -2.432
218 HE21 GLN 32 1HE2 GLN 32 1.328 2.519 -4.068
219 HE22 GLN 32 2HE2 GLN 32 0.368 1.085 -4.126
220 H GLN 33 H GLN 33 4.607 1.217 1.896
221 HA GLN 33 HA GLN 33 5.568 -1.281 1.501
222 HB2 GLN 33 1HB GLN 33 5.532 0.258 4.100
223 HB3 GLN 33 2HB GLN 33 6.530 -1.160 3.808
224 HG2 GLN 33 1HG GLN 33 6.667 1.351 2.160
225 HG3 GLN 33 2HG GLN 33 7.699 1.026 3.552
226 HE21 GLN 33 1HE2 GLN 33 7.005 0.259 0.256
227 HE22 GLN 33 2HE2 GLN 33 8.408 -0.705 -0.037
228 H SER 34 H SER 34 3.011 -0.387 3.773
229 HA SER 34 HA SER 34 2.683 -2.749 5.147
230 HB2 SER 34 1HB SER 34 1.423 -0.677 5.628
231 HB3 SER 34 2HB SER 34 0.470 -0.928 4.165
232 HG SER 34 HG SER 34 0.113 -1.979 6.604
233 H HIS 35 H HIS 35 1.327 -1.864 1.992
234 HA HIS 35 HA HIS 35 0.048 -4.427 1.666
235 HB2 HIS 35 1HB HIS 35 0.495 -2.344 -0.471
236 HB3 HIS 35 2HB HIS 35 -0.742 -3.596 -0.426
237 HD1 HIS 35 HD1 HIS 35 -2.281 -3.261 1.979
238 HD2 HIS 35 HD2 HIS 35 -0.595 0.045 0.111
239 HE1 HIS 35 HE1 HIS 35 -3.603 -1.282 2.792
240 H THR 36 H THR 36 2.748 -4.777 2.164
241 HA THR 36 HA THR 36 3.724 -5.753 -0.441
242 HB THR 36 HB THR 36 5.427 -4.795 1.868
243 HG1 THR 36 HG1 THR 36 5.973 -3.137 0.260
244 HG21 THR 36 3HG2 THR 36 7.092 -5.915 0.904
245 HG22 THR 36 1HG2 THR 36 6.865 -4.965 -0.563
246 HG23 THR 36 2HG2 THR 36 6.005 -6.491 -0.359
247 H GLY 37 H GLY 37 4.179 -6.235 3.070
248 HA2 GLY 37 1HA GLY 37 5.035 -8.947 2.731
249 HA3 GLY 37 2HA GLY 37 4.670 -8.153 4.256
250 H GLU 38 H GLU 38 2.355 -7.897 4.798
251 HA GLU 38 HA GLU 38 0.972 -10.379 4.281
252 HB2 GLU 38 1HB GLU 38 1.077 -9.298 6.542
253 HB3 GLU 38 2HB GLU 38 0.042 -8.020 5.922
254 HG2 GLU 38 1HG GLU 38 -1.810 -9.342 5.877
255 HG3 GLU 38 2HG GLU 38 -0.885 -10.822 5.629
256 H ARG 39 H ARG 39 -0.696 -10.696 2.941
257 HA ARG 39 HA ARG 39 -1.817 -8.338 1.576
258 HB2 ARG 39 1HB ARG 39 -1.362 -11.153 0.589
259 HB3 ARG 39 2HB ARG 39 -2.362 -9.988 -0.269
260 HG2 ARG 39 1HG ARG 39 -0.411 -8.484 -0.432
261 HG3 ARG 39 2HG ARG 39 0.575 -9.729 0.338
262 HD2 ARG 39 1HD ARG 39 0.875 -9.849 -2.047
263 HD3 ARG 39 2HD ARG 39 -0.013 -11.273 -1.505
264 HE ARG 39 HE ARG 39 -1.699 -9.118 -2.390
265 HH11 ARG 39 1HH1 ARG 39 0.124 -11.920 -3.363
266 HH12 ARG 39 2HH1 ARG 39 -0.810 -12.191 -4.797
267 HH21 ARG 39 1HH2 ARG 39 -2.935 -9.464 -4.275
268 HH22 ARG 39 2HH2 ARG 39 -2.549 -10.793 -5.315
269 H HIS 40 H HIS 40 -3.557 -7.961 2.912
270 HA HIS 40 HA HIS 40 -5.421 -10.152 3.433
271 HB2 HIS 40 1HB HIS 40 -4.688 -8.519 5.239
272 HB3 HIS 40 2HB HIS 40 -5.649 -7.303 4.403
273 HD2 HIS 40 HD2 HIS 40 -8.374 -7.446 4.836
274 HE1 HIS 40 HE1 HIS 40 -8.285 -10.872 7.337
275 HE2 HIS 40 HE2 HIS 40 -9.722 -9.055 6.348
276 H SER 41 H SER 41 -6.105 -10.337 1.215
277 HA SER 41 HA SER 41 -8.432 -8.762 0.667
278 HB2 SER 41 1HB SER 41 -6.479 -7.356 -0.197
279 HB3 SER 41 2HB SER 41 -6.251 -8.610 -1.415
280 HG SER 41 HG SER 41 -8.363 -6.796 -1.091
281 H GLY 42 H GLY 42 -9.294 -9.399 -1.630
282 HA2 GLY 42 1HA GLY 42 -9.914 -11.047 -3.120
283 HA3 GLY 42 2HA GLY 42 -8.481 -11.947 -2.647
284 HA PRO 43 HA PRO 43 -12.127 -13.070 0.377
285 HB2 PRO 43 1HB PRO 43 -14.600 -12.645 -0.658
286 HB3 PRO 43 2HB PRO 43 -13.750 -11.445 0.322
287 HG2 PRO 43 1HG PRO 43 -14.009 -11.619 -2.655
288 HG3 PRO 43 2HG PRO 43 -14.134 -10.197 -1.603
289 HD2 PRO 43 1HD PRO 43 -11.895 -10.775 -3.011
290 HD3 PRO 43 2HD PRO 43 -11.847 -9.967 -1.431
291 H SER 44 H SER 44 -14.062 -14.707 0.090
292 HA SER 44 HA SER 44 -13.379 -16.457 -2.182
293 HB2 SER 44 1HB SER 44 -14.342 -17.255 0.576
294 HB3 SER 44 2HB SER 44 -13.963 -18.363 -0.742
295 HG SER 44 HG SER 44 -12.256 -18.000 0.858
296 H SER 45 H SER 45 -14.935 -16.522 -3.649
297 HA SER 45 HA SER 45 -16.982 -16.529 -4.643
298 HB2 SER 45 1HB SER 45 -17.133 -18.575 -3.108
299 HB3 SER 45 2HB SER 45 -18.098 -17.560 -2.036
300 HG SER 45 HG SER 45 -19.524 -17.223 -3.825
301 H GLY 46 H GLY 46 -16.230 -14.082 -3.610
302 HA2 GLY 46 1HA GLY 46 -18.611 -13.010 -2.272
303 HA3 GLY 46 2HA GLY 46 -17.069 -12.186 -2.447
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -26.603 7.028 14.338
2 HA2 GLY 1 1HA GLY 1 -24.303 5.375 13.545
3 HA3 GLY 1 2HA GLY 1 -25.628 5.604 12.414
4 H SER 2 H SER 2 -25.535 7.289 11.072
5 HA SER 2 HA SER 2 -24.677 9.095 9.978
6 HB2 SER 2 1HB SER 2 -24.733 10.042 12.839
7 HB3 SER 2 2HB SER 2 -24.226 11.101 11.523
8 HG SER 2 HG SER 2 -26.720 10.348 12.259
9 H SER 3 H SER 3 -22.804 7.076 10.446
10 HA SER 3 HA SER 3 -20.340 8.652 10.807
11 HB2 SER 3 1HB SER 3 -19.253 6.776 11.817
12 HB3 SER 3 2HB SER 3 -20.800 6.967 12.642
13 HG SER 3 HG SER 3 -21.616 5.314 11.235
14 H GLY 4 H GLY 4 -18.978 8.661 9.133
15 HA2 GLY 4 1HA GLY 4 -18.059 6.772 7.500
16 HA3 GLY 4 2HA GLY 4 -19.647 7.049 6.800
17 H SER 5 H SER 5 -16.619 7.675 6.180
18 HA SER 5 HA SER 5 -17.231 10.145 4.784
19 HB2 SER 5 1HB SER 5 -15.231 9.953 7.008
20 HB3 SER 5 2HB SER 5 -14.921 11.041 5.655
21 HG SER 5 HG SER 5 -17.417 11.099 6.939
22 H SER 6 H SER 6 -15.821 10.583 3.046
23 HA SER 6 HA SER 6 -13.965 8.393 2.383
24 HB2 SER 6 1HB SER 6 -15.785 9.870 0.465
25 HB3 SER 6 2HB SER 6 -14.631 8.610 0.028
26 HG SER 6 HG SER 6 -16.697 7.727 0.254
27 H GLY 7 H GLY 7 -12.399 9.049 0.610
28 HA2 GLY 7 1HA GLY 7 -11.073 11.456 1.452
29 HA3 GLY 7 2HA GLY 7 -10.522 10.340 0.212
30 H THR 8 H THR 8 -10.035 12.792 -0.442
31 HA THR 8 HA THR 8 -12.057 13.423 -2.468
32 HB THR 8 HB THR 8 -11.745 15.858 -2.049
33 HG1 THR 8 HG1 THR 8 -10.207 14.835 0.092
34 HG21 THR 8 3HG2 THR 8 -13.669 14.563 -1.121
35 HG22 THR 8 1HG2 THR 8 -13.247 15.992 -0.178
36 HG23 THR 8 2HG2 THR 8 -12.765 14.391 0.383
37 H GLY 9 H GLY 9 -11.255 14.274 -4.377
38 HA2 GLY 9 1HA GLY 9 -8.661 13.565 -5.134
39 HA3 GLY 9 2HA GLY 9 -9.706 14.660 -6.026
40 H GLU 10 H GLU 10 -9.701 16.277 -3.356
41 HA GLU 10 HA GLU 10 -8.114 18.359 -4.083
42 HB2 GLU 10 1HB GLU 10 -9.615 18.591 -2.232
43 HB3 GLU 10 2HB GLU 10 -8.756 17.367 -1.307
44 HG2 GLU 10 1HG GLU 10 -7.046 18.784 -0.750
45 HG3 GLU 10 2HG GLU 10 -7.288 19.808 -2.164
46 H LYS 11 H LYS 11 -7.122 15.568 -2.135
47 HA LYS 11 HA LYS 11 -4.398 16.495 -1.941
48 HB2 LYS 11 1HB LYS 11 -5.714 13.890 -1.160
49 HB3 LYS 11 2HB LYS 11 -4.017 14.252 -0.876
50 HG2 LYS 11 1HG LYS 11 -4.512 15.909 0.695
51 HG3 LYS 11 2HG LYS 11 -6.192 16.032 0.167
52 HD2 LYS 11 1HD LYS 11 -6.782 14.014 1.198
53 HD3 LYS 11 2HD LYS 11 -5.102 13.490 1.335
54 HE2 LYS 11 1HE LYS 11 -6.181 15.897 2.781
55 HE3 LYS 11 2HE LYS 11 -6.228 14.275 3.470
56 HZ1 LYS 11 3HZ LYS 11 -3.762 15.677 2.590
57 HZ2 LYS 11 1HZ LYS 11 -3.839 14.157 3.330
58 HZ3 LYS 11 2HZ LYS 11 -4.282 15.542 4.194
59 HA PRO 12 HA PRO 12 -2.883 14.736 -5.681
60 HB2 PRO 12 1HB PRO 12 -0.267 14.470 -5.005
61 HB3 PRO 12 2HB PRO 12 -1.014 16.033 -5.358
62 HG2 PRO 12 1HG PRO 12 -0.433 14.767 -2.708
63 HG3 PRO 12 2HG PRO 12 -0.197 16.448 -3.221
64 HD2 PRO 12 1HD PRO 12 -2.316 15.664 -1.729
65 HD3 PRO 12 2HD PRO 12 -2.416 16.987 -2.909
66 H TYR 13 H TYR 13 -2.106 13.175 -2.609
67 HA TYR 13 HA TYR 13 -1.614 10.638 -3.978
68 HB2 TYR 13 1HB TYR 13 -1.428 11.107 -1.009
69 HB3 TYR 13 2HB TYR 13 -0.640 9.861 -1.970
70 HD1 TYR 13 HD1 TYR 13 0.935 10.881 -3.901
71 HD2 TYR 13 HD2 TYR 13 -0.107 12.841 -0.271
72 HE1 TYR 13 HE1 TYR 13 2.940 12.292 -4.094
73 HE2 TYR 13 HE2 TYR 13 1.895 14.258 -0.455
74 HH TYR 13 HH TYR 13 3.415 15.071 -2.264
75 H LYS 14 H LYS 14 -2.892 8.857 -3.758
76 HA LYS 14 HA LYS 14 -5.016 8.698 -1.845
77 HB2 LYS 14 1HB LYS 14 -6.177 10.172 -3.314
78 HB3 LYS 14 2HB LYS 14 -5.652 9.279 -4.736
79 HG2 LYS 14 1HG LYS 14 -7.869 8.652 -4.480
80 HG3 LYS 14 2HG LYS 14 -6.977 7.317 -3.745
81 HD2 LYS 14 1HD LYS 14 -7.424 8.139 -1.545
82 HD3 LYS 14 2HD LYS 14 -8.101 9.639 -2.184
83 HE2 LYS 14 1HE LYS 14 -10.000 8.515 -3.050
84 HE3 LYS 14 2HE LYS 14 -9.269 6.933 -2.788
85 HZ1 LYS 14 3HZ LYS 14 -9.253 7.809 -0.315
86 HZ2 LYS 14 1HZ LYS 14 -10.604 7.034 -0.976
87 HZ3 LYS 14 2HZ LYS 14 -10.562 8.722 -0.876
88 H CYS 15 H CYS 15 -4.640 6.654 -1.265
89 HA CYS 15 HA CYS 15 -3.706 4.651 -3.064
90 HB2 CYS 15 1HB CYS 15 -3.168 4.623 -0.660
91 HB3 CYS 15 2HB CYS 15 -4.868 4.358 -0.286
92 H SER 16 H SER 16 -4.783 2.775 -3.778
93 HA SER 16 HA SER 16 -7.711 3.069 -3.920
94 HB2 SER 16 1HB SER 16 -7.582 1.823 -6.054
95 HB3 SER 16 2HB SER 16 -6.641 3.313 -6.105
96 HG SER 16 HG SER 16 -5.589 1.362 -6.943
97 H ASP 17 H ASP 17 -5.078 0.994 -3.087
98 HA ASP 17 HA ASP 17 -6.314 -1.507 -3.130
99 HB2 ASP 17 1HB ASP 17 -4.135 -0.384 -1.371
100 HB3 ASP 17 2HB ASP 17 -4.652 -2.066 -1.282
101 H CYS 18 H CYS 18 -6.072 0.827 -0.452
102 HA CYS 18 HA CYS 18 -8.241 -0.628 0.906
103 HB2 CYS 18 1HB CYS 18 -7.448 0.479 2.976
104 HB3 CYS 18 2HB CYS 18 -6.210 -0.529 2.234
105 H GLY 19 H GLY 19 -7.074 2.597 0.025
106 HA2 GLY 19 1HA GLY 19 -8.682 4.186 -0.868
107 HA3 GLY 19 2HA GLY 19 -9.855 3.555 0.278
108 H LYS 20 H LYS 20 -6.613 5.040 0.287
109 HA LYS 20 HA LYS 20 -7.539 6.813 2.441
110 HB2 LYS 20 1HB LYS 20 -5.188 4.990 2.421
111 HB3 LYS 20 2HB LYS 20 -4.972 6.576 3.151
112 HG2 LYS 20 1HG LYS 20 -6.705 6.162 4.738
113 HG3 LYS 20 2HG LYS 20 -7.166 4.667 3.921
114 HD2 LYS 20 1HD LYS 20 -4.622 4.074 4.386
115 HD3 LYS 20 2HD LYS 20 -4.850 5.235 5.696
116 HE2 LYS 20 1HE LYS 20 -6.771 2.974 5.236
117 HE3 LYS 20 2HE LYS 20 -5.303 2.760 6.189
118 HZ1 LYS 20 3HZ LYS 20 -7.576 4.577 6.748
119 HZ2 LYS 20 1HZ LYS 20 -6.091 4.694 7.550
120 HZ3 LYS 20 2HZ LYS 20 -7.020 3.288 7.693
121 H ALA 21 H ALA 21 -5.883 8.648 2.767
122 HA ALA 21 HA ALA 21 -4.634 9.436 0.235
123 HB1 ALA 21 3HB ALA 21 -6.349 11.360 1.781
124 HB2 ALA 21 1HB ALA 21 -5.672 11.551 0.163
125 HB3 ALA 21 2HB ALA 21 -6.971 10.392 0.445
126 H PHE 22 H PHE 22 -3.241 11.405 0.519
127 HA PHE 22 HA PHE 22 -2.294 11.874 3.226
128 HB2 PHE 22 1HB PHE 22 -0.351 10.959 1.103
129 HB3 PHE 22 2HB PHE 22 -0.020 11.250 2.807
130 HD1 PHE 22 HD1 PHE 22 -1.839 9.034 0.468
131 HD2 PHE 22 HD2 PHE 22 -0.284 9.549 4.397
132 HE1 PHE 22 HE1 PHE 22 -2.288 6.664 0.953
133 HE2 PHE 22 HE2 PHE 22 -0.730 7.179 4.888
134 HZ PHE 22 HZ PHE 22 -1.733 5.734 3.164
135 H THR 23 H THR 23 -0.467 13.535 3.190
136 HA THR 23 HA THR 23 -1.120 15.560 1.157
137 HB THR 23 HB THR 23 0.130 16.029 3.869
138 HG1 THR 23 HG1 THR 23 -2.093 15.226 3.908
139 HG21 THR 23 3HG2 THR 23 -0.603 18.373 3.433
140 HG22 THR 23 1HG2 THR 23 -1.041 17.886 1.796
141 HG23 THR 23 2HG2 THR 23 0.641 17.800 2.322
142 H ARG 24 H ARG 24 1.468 13.768 2.653
143 HA ARG 24 HA ARG 24 3.403 15.143 0.906
144 HB2 ARG 24 1HB ARG 24 3.680 13.914 3.628
145 HB3 ARG 24 2HB ARG 24 5.081 14.046 2.575
146 HG2 ARG 24 1HG ARG 24 3.403 16.457 3.078
147 HG3 ARG 24 2HG ARG 24 4.544 15.915 4.310
148 HD2 ARG 24 1HD ARG 24 5.343 16.345 1.444
149 HD3 ARG 24 2HD ARG 24 5.383 17.640 2.640
150 HE ARG 24 HE ARG 24 6.782 15.359 3.576
151 HH11 ARG 24 1HH1 ARG 24 7.038 18.034 1.362
152 HH12 ARG 24 2HH1 ARG 24 8.769 18.081 1.415
153 HH21 ARG 24 1HH2 ARG 24 9.061 15.412 3.655
154 HH22 ARG 24 2HH2 ARG 24 9.919 16.589 2.719
155 H LYS 25 H LYS 25 5.018 13.861 -0.125
156 HA LYS 25 HA LYS 25 4.067 11.546 -1.357
157 HB2 LYS 25 1HB LYS 25 5.936 13.101 -2.128
158 HB3 LYS 25 2HB LYS 25 6.991 12.211 -1.037
159 HG2 LYS 25 1HG LYS 25 7.299 11.278 -3.179
160 HG3 LYS 25 2HG LYS 25 6.320 10.123 -2.271
161 HD2 LYS 25 1HD LYS 25 4.333 10.804 -3.394
162 HD3 LYS 25 2HD LYS 25 5.147 12.191 -4.122
163 HE2 LYS 25 1HE LYS 25 6.700 10.396 -5.175
164 HE3 LYS 25 2HE LYS 25 5.387 9.283 -4.792
165 HZ1 LYS 25 3HZ LYS 25 3.892 10.590 -6.120
166 HZ2 LYS 25 1HZ LYS 25 5.246 10.193 -7.054
167 HZ3 LYS 25 2HZ LYS 25 5.086 11.751 -6.415
168 H SER 26 H SER 26 6.341 11.915 1.343
169 HA SER 26 HA SER 26 6.996 9.225 1.682
170 HB2 SER 26 1HB SER 26 7.588 9.857 4.008
171 HB3 SER 26 2HB SER 26 8.221 10.997 2.820
172 HG SER 26 HG SER 26 7.133 12.489 3.798
173 H GLY 27 H GLY 27 4.364 11.125 3.123
174 HA2 GLY 27 1HA GLY 27 3.287 9.341 4.891
175 HA3 GLY 27 2HA GLY 27 2.315 10.440 3.924
176 H LEU 28 H LEU 28 2.989 9.273 1.382
177 HA LEU 28 HA LEU 28 1.152 7.031 1.471
178 HB2 LEU 28 1HB LEU 28 0.792 8.668 -0.240
179 HB3 LEU 28 2HB LEU 28 2.456 8.517 -0.801
180 HG LEU 28 HG LEU 28 1.850 6.105 -1.397
181 HD11 LEU 28 1HD1 LEU 28 -0.940 7.228 -1.203
182 HD12 LEU 28 2HD1 LEU 28 -0.243 6.059 -0.082
183 HD13 LEU 28 3HD1 LEU 28 -0.478 5.625 -1.774
184 HD21 LEU 28 3HD2 LEU 28 0.608 8.437 -2.850
185 HD22 LEU 28 1HD2 LEU 28 0.805 6.820 -3.528
186 HD23 LEU 28 2HD2 LEU 28 2.225 7.772 -3.090
187 H HIS 29 H HIS 29 4.480 7.660 0.407
188 HA HIS 29 HA HIS 29 5.194 5.233 -0.625
189 HB2 HIS 29 1HB HIS 29 6.695 7.296 0.932
190 HB3 HIS 29 2HB HIS 29 7.489 5.766 0.572
191 HD2 HIS 29 HD2 HIS 29 5.205 7.421 -2.129
192 HE1 HIS 29 HE1 HIS 29 9.244 7.743 -3.385
193 HE2 HIS 29 HE2 HIS 29 6.836 8.161 -3.994
194 H ILE 30 H ILE 30 5.556 6.143 2.807
195 HA ILE 30 HA ILE 30 6.353 3.637 3.737
196 HB ILE 30 HB ILE 30 4.780 5.742 5.227
197 HG12 ILE 30 1HG1 ILE 30 7.757 5.275 5.309
198 HG13 ILE 30 2HG1 ILE 30 7.019 6.386 4.160
199 HG21 ILE 30 1HG2 ILE 30 6.611 4.086 6.760
200 HG22 ILE 30 2HG2 ILE 30 4.929 4.507 7.078
201 HG23 ILE 30 3HG2 ILE 30 5.313 3.155 6.012
202 HD11 ILE 30 3HD1 ILE 30 7.808 7.628 6.038
203 HD12 ILE 30 1HD1 ILE 30 6.045 7.624 6.074
204 HD13 ILE 30 2HD1 ILE 30 6.952 6.570 7.159
205 H HIS 31 H HIS 31 3.125 4.992 3.283
206 HA HIS 31 HA HIS 31 1.671 2.948 4.552
207 HB2 HIS 31 1HB HIS 31 0.507 4.953 4.088
208 HB3 HIS 31 2HB HIS 31 0.965 4.921 2.388
209 HD1 HIS 31 HD1 HIS 31 -1.017 2.645 4.720
210 HD2 HIS 31 HD2 HIS 31 -1.099 4.140 0.845
211 HE1 HIS 31 HE1 HIS 31 -3.118 1.725 3.689
212 H GLN 32 H GLN 32 2.745 3.333 1.201
213 HA GLN 32 HA GLN 32 1.429 1.160 0.069
214 HB2 GLN 32 1HB GLN 32 3.905 2.682 -0.581
215 HB3 GLN 32 2HB GLN 32 3.636 1.157 -1.415
216 HG2 GLN 32 1HG GLN 32 1.588 3.351 -1.329
217 HG3 GLN 32 2HG GLN 32 2.821 3.233 -2.584
218 HE21 GLN 32 1HE2 GLN 32 -0.287 2.637 -2.009
219 HE22 GLN 32 2HE2 GLN 32 -0.552 1.279 -3.043
220 H GLN 33 H GLN 33 4.707 1.278 1.458
221 HA GLN 33 HA GLN 33 5.574 -1.260 1.075
222 HB2 GLN 33 1HB GLN 33 5.861 0.549 3.458
223 HB3 GLN 33 2HB GLN 33 6.621 -1.037 3.427
224 HG2 GLN 33 1HG GLN 33 7.067 1.076 1.335
225 HG3 GLN 33 2HG GLN 33 8.097 0.849 2.747
226 HE21 GLN 33 1HE2 GLN 33 9.796 0.508 1.191
227 HE22 GLN 33 2HE2 GLN 33 9.995 -1.048 0.467
228 H SER 34 H SER 34 3.511 -0.222 3.785
229 HA SER 34 HA SER 34 3.208 -2.542 5.167
230 HB2 SER 34 1HB SER 34 1.384 -0.255 4.608
231 HB3 SER 34 2HB SER 34 0.679 -1.693 5.346
232 HG SER 34 HG SER 34 1.377 -0.454 7.017
233 H HIS 35 H HIS 35 1.053 -1.569 2.493
234 HA HIS 35 HA HIS 35 -0.488 -3.809 2.271
235 HB2 HIS 35 1HB HIS 35 0.590 -1.945 0.172
236 HB3 HIS 35 2HB HIS 35 -0.460 -3.290 -0.264
237 HD1 HIS 35 HD1 HIS 35 -2.827 -3.273 1.203
238 HD2 HIS 35 HD2 HIS 35 -0.781 0.312 0.734
239 HE1 HIS 35 HE1 HIS 35 -4.514 -1.469 1.674
240 H THR 36 H THR 36 2.575 -3.283 0.519
241 HA THR 36 HA THR 36 2.768 -5.745 -0.722
242 HB THR 36 HB THR 36 5.099 -4.180 0.398
243 HG1 THR 36 HG1 THR 36 4.946 -2.908 -1.360
244 HG21 THR 36 3HG2 THR 36 6.066 -5.171 -1.840
245 HG22 THR 36 1HG2 THR 36 4.814 -6.387 -1.589
246 HG23 THR 36 2HG2 THR 36 6.054 -6.131 -0.361
247 H GLY 37 H GLY 37 3.960 -7.657 -0.230
248 HA2 GLY 37 1HA GLY 37 5.193 -9.030 1.311
249 HA3 GLY 37 2HA GLY 37 4.517 -8.085 2.629
250 H GLU 38 H GLU 38 3.058 -9.133 3.786
251 HA GLU 38 HA GLU 38 1.232 -10.983 2.411
252 HB2 GLU 38 1HB GLU 38 2.951 -12.317 3.521
253 HB3 GLU 38 2HB GLU 38 2.638 -11.488 5.039
254 HG2 GLU 38 1HG GLU 38 0.555 -12.513 5.305
255 HG3 GLU 38 2HG GLU 38 0.492 -13.020 3.618
256 H ARG 39 H ARG 39 -0.690 -10.020 2.561
257 HA ARG 39 HA ARG 39 -1.841 -9.538 5.151
258 HB2 ARG 39 1HB ARG 39 -0.579 -7.424 4.667
259 HB3 ARG 39 2HB ARG 39 -1.605 -7.197 3.257
260 HG2 ARG 39 1HG ARG 39 -2.866 -7.568 5.931
261 HG3 ARG 39 2HG ARG 39 -2.160 -6.007 5.508
262 HD2 ARG 39 1HD ARG 39 -3.543 -6.082 3.404
263 HD3 ARG 39 2HD ARG 39 -4.367 -7.482 4.089
264 HE ARG 39 HE ARG 39 -4.403 -5.313 5.909
265 HH11 ARG 39 1HH1 ARG 39 -5.856 -6.447 2.955
266 HH12 ARG 39 2HH1 ARG 39 -7.337 -5.583 3.199
267 HH21 ARG 39 1HH2 ARG 39 -6.349 -4.170 6.241
268 HH22 ARG 39 2HH2 ARG 39 -7.617 -4.287 5.067
269 H HIS 40 H HIS 40 -3.763 -10.460 4.957
270 HA HIS 40 HA HIS 40 -5.034 -11.234 2.652
271 HB2 HIS 40 1HB HIS 40 -7.044 -11.522 3.973
272 HB3 HIS 40 2HB HIS 40 -5.647 -11.977 4.944
273 HD2 HIS 40 HD2 HIS 40 -4.801 -9.344 6.421
274 HE1 HIS 40 HE1 HIS 40 -8.909 -8.728 7.283
275 HE2 HIS 40 HE2 HIS 40 -6.545 -8.040 7.816
276 H SER 41 H SER 41 -5.577 -10.002 0.977
277 HA SER 41 HA SER 41 -6.704 -7.335 1.482
278 HB2 SER 41 1HB SER 41 -4.652 -7.526 0.035
279 HB3 SER 41 2HB SER 41 -5.632 -8.411 -1.133
280 HG SER 41 HG SER 41 -6.143 -6.510 -1.853
281 H GLY 42 H GLY 42 -8.781 -8.290 2.005
282 HA2 GLY 42 1HA GLY 42 -10.998 -8.351 1.232
283 HA3 GLY 42 2HA GLY 42 -10.399 -8.615 -0.399
284 HA PRO 43 HA PRO 43 -10.175 -12.922 1.787
285 HB2 PRO 43 1HB PRO 43 -11.278 -13.096 4.262
286 HB3 PRO 43 2HB PRO 43 -9.578 -12.693 3.994
287 HG2 PRO 43 1HG PRO 43 -11.887 -10.877 4.567
288 HG3 PRO 43 2HG PRO 43 -10.244 -10.840 5.231
289 HD2 PRO 43 1HD PRO 43 -11.048 -9.190 3.240
290 HD3 PRO 43 2HD PRO 43 -9.381 -9.786 3.371
291 H SER 44 H SER 44 -11.715 -13.454 0.246
292 HA SER 44 HA SER 44 -13.697 -14.258 -0.531
293 HB2 SER 44 1HB SER 44 -14.678 -14.136 2.326
294 HB3 SER 44 2HB SER 44 -15.290 -15.158 1.026
295 HG SER 44 HG SER 44 -13.839 -16.219 2.526
296 H SER 45 H SER 45 -13.173 -11.366 -0.217
297 HA SER 45 HA SER 45 -15.968 -10.428 -0.256
298 HB2 SER 45 1HB SER 45 -14.570 -9.585 1.685
299 HB3 SER 45 2HB SER 45 -13.587 -8.727 0.499
300 HG SER 45 HG SER 45 -15.063 -7.245 0.938
301 H GLY 46 H GLY 46 -16.585 -9.903 -2.239
302 HA2 GLY 46 1HA GLY 46 -15.164 -8.076 -3.868
303 HA3 GLY 46 2HA GLY 46 -14.918 -9.711 -4.464
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -35.971 9.105 -1.835
2 HA2 GLY 1 1HA GLY 1 -34.738 7.055 -2.920
3 HA3 GLY 1 2HA GLY 1 -34.855 8.082 -4.341
4 H SER 2 H SER 2 -32.407 7.243 -3.387
5 HA SER 2 HA SER 2 -31.165 9.798 -2.820
6 HB2 SER 2 1HB SER 2 -29.973 9.092 -0.852
7 HB3 SER 2 2HB SER 2 -31.689 8.795 -0.573
8 HG SER 2 HG SER 2 -31.338 6.613 -1.047
9 H SER 3 H SER 3 -29.392 9.988 -4.016
10 HA SER 3 HA SER 3 -28.474 7.892 -5.672
11 HB2 SER 3 1HB SER 3 -28.289 10.516 -5.906
12 HB3 SER 3 2HB SER 3 -26.742 10.263 -5.098
13 HG SER 3 HG SER 3 -26.291 8.698 -6.777
14 H GLY 4 H GLY 4 -27.084 9.409 -2.772
15 HA2 GLY 4 1HA GLY 4 -25.606 8.577 -1.219
16 HA3 GLY 4 2HA GLY 4 -25.880 6.984 -1.909
17 H SER 5 H SER 5 -24.199 10.039 -2.630
18 HA SER 5 HA SER 5 -22.089 8.466 -3.946
19 HB2 SER 5 1HB SER 5 -21.434 10.671 -4.979
20 HB3 SER 5 2HB SER 5 -23.024 10.078 -5.460
21 HG SER 5 HG SER 5 -22.683 12.404 -4.690
22 H SER 6 H SER 6 -20.456 8.047 -2.617
23 HA SER 6 HA SER 6 -19.842 9.772 -0.384
24 HB2 SER 6 1HB SER 6 -18.858 7.116 -1.359
25 HB3 SER 6 2HB SER 6 -17.881 8.022 -0.203
26 HG SER 6 HG SER 6 -19.268 7.563 1.309
27 H GLY 7 H GLY 7 -17.784 10.747 -0.004
28 HA2 GLY 7 1HA GLY 7 -15.739 10.870 -1.960
29 HA3 GLY 7 2HA GLY 7 -16.795 12.266 -2.118
30 H THR 8 H THR 8 -14.403 10.678 -0.165
31 HA THR 8 HA THR 8 -14.066 13.169 1.355
32 HB THR 8 HB THR 8 -13.529 11.845 3.391
33 HG1 THR 8 HG1 THR 8 -14.167 9.755 1.639
34 HG21 THR 8 3HG2 THR 8 -16.170 10.862 3.201
35 HG22 THR 8 1HG2 THR 8 -16.104 12.344 2.249
36 HG23 THR 8 2HG2 THR 8 -15.623 12.364 3.945
37 H GLY 9 H GLY 9 -12.056 13.912 1.192
38 HA2 GLY 9 1HA GLY 9 -9.675 13.106 1.728
39 HA3 GLY 9 2HA GLY 9 -9.945 12.033 0.362
40 H GLU 10 H GLU 10 -8.883 15.088 1.350
41 HA GLU 10 HA GLU 10 -8.748 15.972 -1.457
42 HB2 GLU 10 1HB GLU 10 -9.455 17.489 1.018
43 HB3 GLU 10 2HB GLU 10 -8.609 18.328 -0.275
44 HG2 GLU 10 1HG GLU 10 -10.377 18.193 -1.714
45 HG3 GLU 10 2HG GLU 10 -11.022 16.736 -0.961
46 H LYS 11 H LYS 11 -6.700 14.734 -1.356
47 HA LYS 11 HA LYS 11 -4.538 16.467 -0.379
48 HB2 LYS 11 1HB LYS 11 -4.993 13.583 0.201
49 HB3 LYS 11 2HB LYS 11 -3.336 14.102 -0.081
50 HG2 LYS 11 1HG LYS 11 -3.595 14.239 2.226
51 HG3 LYS 11 2HG LYS 11 -3.793 15.904 1.673
52 HD2 LYS 11 1HD LYS 11 -6.041 15.931 2.127
53 HD3 LYS 11 2HD LYS 11 -6.216 14.188 1.911
54 HE2 LYS 11 1HE LYS 11 -4.992 13.840 4.028
55 HE3 LYS 11 2HE LYS 11 -4.920 15.588 4.249
56 HZ1 LYS 11 3HZ LYS 11 -7.160 15.718 4.669
57 HZ2 LYS 11 1HZ LYS 11 -6.791 14.225 5.374
58 HZ3 LYS 11 2HZ LYS 11 -7.525 14.282 3.851
59 HA PRO 12 HA PRO 12 -2.684 15.989 -4.326
60 HB2 PRO 12 1HB PRO 12 -0.040 15.844 -3.725
61 HB3 PRO 12 2HB PRO 12 -0.976 17.337 -3.587
62 HG2 PRO 12 1HG PRO 12 -0.188 15.391 -1.453
63 HG3 PRO 12 2HG PRO 12 -0.166 17.164 -1.414
64 HD2 PRO 12 1HD PRO 12 -2.142 15.706 -0.273
65 HD3 PRO 12 2HD PRO 12 -2.426 17.308 -0.985
66 H TYR 13 H TYR 13 -2.315 13.532 -1.963
67 HA TYR 13 HA TYR 13 -1.693 11.596 -4.080
68 HB2 TYR 13 1HB TYR 13 -0.492 11.342 -1.330
69 HB3 TYR 13 2HB TYR 13 -0.051 10.481 -2.800
70 HD1 TYR 13 HD1 TYR 13 1.037 11.819 -4.683
71 HD2 TYR 13 HD2 TYR 13 0.625 13.309 -0.719
72 HE1 TYR 13 HE1 TYR 13 2.802 13.473 -5.128
73 HE2 TYR 13 HE2 TYR 13 2.388 14.968 -1.153
74 HH TYR 13 HH TYR 13 3.314 15.999 -3.877
75 H LYS 14 H LYS 14 -2.196 9.336 -3.403
76 HA LYS 14 HA LYS 14 -3.833 8.792 -1.167
77 HB2 LYS 14 1HB LYS 14 -5.472 10.150 -2.364
78 HB3 LYS 14 2HB LYS 14 -5.274 9.155 -3.801
79 HG2 LYS 14 1HG LYS 14 -6.472 7.412 -2.930
80 HG3 LYS 14 2HG LYS 14 -6.095 7.842 -1.261
81 HD2 LYS 14 1HD LYS 14 -8.282 8.501 -1.340
82 HD3 LYS 14 2HD LYS 14 -7.507 9.994 -1.876
83 HE2 LYS 14 1HE LYS 14 -7.891 9.360 -4.204
84 HE3 LYS 14 2HE LYS 14 -8.646 7.857 -3.676
85 HZ1 LYS 14 3HZ LYS 14 -9.849 10.345 -4.033
86 HZ2 LYS 14 1HZ LYS 14 -9.894 10.010 -2.375
87 HZ3 LYS 14 2HZ LYS 14 -10.563 8.916 -3.478
88 H CYS 15 H CYS 15 -4.019 6.629 -0.857
89 HA CYS 15 HA CYS 15 -2.485 4.885 -2.469
90 HB2 CYS 15 1HB CYS 15 -3.130 4.724 0.053
91 HB3 CYS 15 2HB CYS 15 -4.566 3.898 -0.545
92 H SER 16 H SER 16 -3.422 2.749 -3.271
93 HA SER 16 HA SER 16 -5.971 3.245 -4.667
94 HB2 SER 16 1HB SER 16 -5.016 1.875 -6.553
95 HB3 SER 16 2HB SER 16 -4.221 3.429 -6.304
96 HG SER 16 HG SER 16 -2.493 2.215 -6.277
97 H ASP 17 H ASP 17 -3.898 0.991 -3.009
98 HA ASP 17 HA ASP 17 -5.402 -1.358 -3.525
99 HB2 ASP 17 1HB ASP 17 -3.130 -1.583 -2.786
100 HB3 ASP 17 2HB ASP 17 -3.454 -0.651 -1.327
101 H CYS 18 H CYS 18 -5.411 0.988 -0.869
102 HA CYS 18 HA CYS 18 -7.925 -0.221 0.084
103 HB2 CYS 18 1HB CYS 18 -7.382 0.653 2.309
104 HB3 CYS 18 2HB CYS 18 -6.107 -0.411 1.723
105 H GLY 19 H GLY 19 -6.190 2.801 -0.506
106 HA2 GLY 19 1HA GLY 19 -7.268 4.682 -1.507
107 HA3 GLY 19 2HA GLY 19 -8.790 4.133 -0.822
108 H LYS 20 H LYS 20 -5.626 5.471 0.047
109 HA LYS 20 HA LYS 20 -6.947 6.926 2.234
110 HB2 LYS 20 1HB LYS 20 -5.433 4.870 2.865
111 HB3 LYS 20 2HB LYS 20 -4.120 5.997 2.550
112 HG2 LYS 20 1HG LYS 20 -5.070 7.540 4.209
113 HG3 LYS 20 2HG LYS 20 -6.343 6.366 4.548
114 HD2 LYS 20 1HD LYS 20 -4.524 4.724 5.124
115 HD3 LYS 20 2HD LYS 20 -3.381 6.065 5.018
116 HE2 LYS 20 1HE LYS 20 -5.801 6.067 6.813
117 HE3 LYS 20 2HE LYS 20 -4.203 5.534 7.332
118 HZ1 LYS 20 3HZ LYS 20 -4.978 8.247 6.419
119 HZ2 LYS 20 1HZ LYS 20 -3.375 7.767 6.669
120 HZ3 LYS 20 2HZ LYS 20 -4.462 7.793 7.964
121 H ALA 21 H ALA 21 -6.850 9.011 1.743
122 HA ALA 21 HA ALA 21 -4.932 10.094 -0.074
123 HB1 ALA 21 3HB ALA 21 -6.459 11.692 -0.251
124 HB2 ALA 21 1HB ALA 21 -7.402 10.900 1.012
125 HB3 ALA 21 2HB ALA 21 -6.227 12.144 1.438
126 H PHE 22 H PHE 22 -2.990 10.933 0.328
127 HA PHE 22 HA PHE 22 -2.278 11.505 3.130
128 HB2 PHE 22 1HB PHE 22 -0.432 10.559 0.928
129 HB3 PHE 22 2HB PHE 22 0.009 10.841 2.609
130 HD1 PHE 22 HD2 PHE 22 -0.938 9.366 4.385
131 HD2 PHE 22 HD1 PHE 22 -1.390 8.524 0.237
132 HE1 PHE 22 HE2 PHE 22 -1.496 7.031 4.923
133 HE2 PHE 22 HE1 PHE 22 -1.949 6.188 0.769
134 HZ PHE 22 HZ PHE 22 -2.002 5.438 3.114
135 H THR 23 H THR 23 -1.607 13.500 3.590
136 HA THR 23 HA THR 23 -1.715 15.571 1.677
137 HB THR 23 HB THR 23 -2.155 16.021 4.028
138 HG1 THR 23 HG1 THR 23 -1.513 17.919 3.310
139 HG21 THR 23 3HG2 THR 23 0.215 16.259 5.333
140 HG22 THR 23 1HG2 THR 23 0.514 14.825 4.353
141 HG23 THR 23 2HG2 THR 23 -0.855 14.863 5.464
142 H ARG 24 H ARG 24 0.895 13.590 2.878
143 HA ARG 24 HA ARG 24 2.769 15.086 1.165
144 HB2 ARG 24 1HB ARG 24 3.476 13.441 3.598
145 HB3 ARG 24 2HB ARG 24 4.566 14.439 2.646
146 HG2 ARG 24 1HG ARG 24 2.928 16.359 3.317
147 HG3 ARG 24 2HG ARG 24 2.489 15.251 4.619
148 HD2 ARG 24 1HD ARG 24 5.330 16.034 4.008
149 HD3 ARG 24 2HD ARG 24 4.313 16.914 5.148
150 HE ARG 24 HE ARG 24 4.386 14.130 5.736
151 HH11 ARG 24 1HH1 ARG 24 6.189 17.093 6.036
152 HH12 ARG 24 2HH1 ARG 24 7.058 16.575 7.442
153 HH21 ARG 24 1HH2 ARG 24 5.524 13.436 7.587
154 HH22 ARG 24 2HH2 ARG 24 6.679 14.494 8.324
155 H LYS 25 H LYS 25 4.211 13.915 -0.115
156 HA LYS 25 HA LYS 25 3.270 11.609 -1.325
157 HB2 LYS 25 1HB LYS 25 4.995 13.173 -2.248
158 HB3 LYS 25 2HB LYS 25 6.170 12.446 -1.160
159 HG2 LYS 25 1HG LYS 25 6.585 11.282 -3.081
160 HG3 LYS 25 2HG LYS 25 5.404 10.222 -2.308
161 HD2 LYS 25 1HD LYS 25 3.738 10.776 -3.787
162 HD3 LYS 25 2HD LYS 25 4.422 12.367 -4.127
163 HE2 LYS 25 1HE LYS 25 5.954 9.948 -4.943
164 HE3 LYS 25 2HE LYS 25 4.541 10.409 -5.892
165 HZ1 LYS 25 3HZ LYS 25 5.500 12.437 -6.465
166 HZ2 LYS 25 1HZ LYS 25 6.787 11.345 -6.585
167 HZ3 LYS 25 2HZ LYS 25 6.662 12.361 -5.238
168 H SER 26 H SER 26 5.777 11.916 1.177
169 HA SER 26 HA SER 26 6.576 9.298 1.404
170 HB2 SER 26 1HB SER 26 7.101 9.812 3.775
171 HB3 SER 26 2HB SER 26 7.628 11.089 2.679
172 HG SER 26 HG SER 26 6.147 11.399 4.772
173 H GLY 27 H GLY 27 3.920 10.833 3.229
174 HA2 GLY 27 1HA GLY 27 2.978 8.817 4.747
175 HA3 GLY 27 2HA GLY 27 1.899 9.912 3.894
176 H LEU 28 H LEU 28 2.752 8.973 1.254
177 HA LEU 28 HA LEU 28 1.035 6.633 1.139
178 HB2 LEU 28 1HB LEU 28 0.564 8.302 -0.475
179 HB3 LEU 28 2HB LEU 28 2.256 8.415 -0.952
180 HG LEU 28 HG LEU 28 2.092 6.146 -1.927
181 HD11 LEU 28 1HD1 LEU 28 -0.782 6.056 -2.097
182 HD12 LEU 28 2HD1 LEU 28 -0.245 5.996 -0.418
183 HD13 LEU 28 3HD1 LEU 28 0.355 4.811 -1.578
184 HD21 LEU 28 3HD2 LEU 28 1.842 7.528 -3.678
185 HD22 LEU 28 1HD2 LEU 28 0.638 8.519 -2.854
186 HD23 LEU 28 2HD2 LEU 28 0.156 7.009 -3.627
187 H HIS 29 H HIS 29 4.338 7.538 0.196
188 HA HIS 29 HA HIS 29 5.162 5.150 -0.930
189 HB2 HIS 29 1HB HIS 29 6.584 7.342 0.527
190 HB3 HIS 29 2HB HIS 29 7.469 5.876 0.115
191 HD2 HIS 29 HD2 HIS 29 5.771 5.734 -2.905
192 HE1 HIS 29 HE1 HIS 29 8.171 9.165 -3.590
193 HE2 HIS 29 HE2 HIS 29 6.689 7.420 -4.639
194 H ILE 30 H ILE 30 5.761 6.149 2.445
195 HA ILE 30 HA ILE 30 6.699 3.664 3.326
196 HB ILE 30 HB ILE 30 5.301 5.798 4.944
197 HG12 ILE 30 1HG1 ILE 30 7.875 6.127 5.551
198 HG13 ILE 30 2HG1 ILE 30 8.086 5.457 3.937
199 HG21 ILE 30 1HG2 ILE 30 5.801 4.680 6.834
200 HG22 ILE 30 2HG2 ILE 30 5.801 3.277 5.766
201 HG23 ILE 30 3HG2 ILE 30 7.322 4.061 6.192
202 HD11 ILE 30 3HD1 ILE 30 6.138 7.660 4.238
203 HD12 ILE 30 1HD1 ILE 30 7.849 8.058 4.393
204 HD13 ILE 30 2HD1 ILE 30 7.250 7.295 2.919
205 H HIS 31 H HIS 31 3.437 4.985 3.167
206 HA HIS 31 HA HIS 31 2.126 3.014 4.673
207 HB2 HIS 31 1HB HIS 31 0.896 4.972 4.203
208 HB3 HIS 31 2HB HIS 31 1.212 4.857 2.474
209 HD1 HIS 31 HD1 HIS 31 -0.629 2.832 5.124
210 HD2 HIS 31 HD2 HIS 31 -0.877 3.838 1.100
211 HE1 HIS 31 HE1 HIS 31 -2.776 1.808 4.306
212 H GLN 32 H GLN 32 2.837 3.207 1.207
213 HA GLN 32 HA GLN 32 1.456 0.988 0.312
214 HB2 GLN 32 1HB GLN 32 4.003 2.295 -0.585
215 HB3 GLN 32 2HB GLN 32 3.433 0.831 -1.375
216 HG2 GLN 32 1HG GLN 32 1.605 3.168 -1.052
217 HG3 GLN 32 2HG GLN 32 2.803 3.145 -2.344
218 HE21 GLN 32 1HE2 GLN 32 2.242 2.218 -4.182
219 HE22 GLN 32 2HE2 GLN 32 0.916 1.134 -4.407
220 H GLN 33 H GLN 33 4.718 1.144 1.696
221 HA GLN 33 HA GLN 33 5.566 -1.438 1.347
222 HB2 GLN 33 1HB GLN 33 5.965 0.454 3.656
223 HB3 GLN 33 2HB GLN 33 6.749 -1.119 3.595
224 HG2 GLN 33 1HG GLN 33 7.024 0.944 1.428
225 HG3 GLN 33 2HG GLN 33 8.123 0.823 2.801
226 HE21 GLN 33 1HE2 GLN 33 9.760 -0.574 2.700
227 HE22 GLN 33 2HE2 GLN 33 9.995 -1.744 1.450
228 H SER 34 H SER 34 3.387 -0.203 3.844
229 HA SER 34 HA SER 34 3.164 -2.382 5.497
230 HB2 SER 34 1HB SER 34 2.019 -0.205 5.852
231 HB3 SER 34 2HB SER 34 0.866 -0.632 4.588
232 HG SER 34 HG SER 34 0.867 -1.336 7.178
233 H HIS 35 H HIS 35 1.171 -1.751 2.609
234 HA HIS 35 HA HIS 35 -0.371 -4.024 2.605
235 HB2 HIS 35 1HB HIS 35 0.807 -2.516 0.266
236 HB3 HIS 35 2HB HIS 35 -0.415 -3.774 0.096
237 HD1 HIS 35 HD1 HIS 35 -2.275 -2.975 2.423
238 HD2 HIS 35 HD2 HIS 35 -0.665 -0.298 -0.316
239 HE1 HIS 35 HE1 HIS 35 -3.816 -0.987 2.441
240 H THR 36 H THR 36 2.780 -3.629 0.985
241 HA THR 36 HA THR 36 2.939 -6.433 0.357
242 HB THR 36 HB THR 36 5.227 -5.885 -0.460
243 HG1 THR 36 HG1 THR 36 5.473 -3.418 -0.557
244 HG21 THR 36 3HG2 THR 36 2.833 -5.307 -1.611
245 HG22 THR 36 1HG2 THR 36 4.392 -5.142 -2.418
246 HG23 THR 36 2HG2 THR 36 3.630 -3.736 -1.674
247 H GLY 37 H GLY 37 3.179 -7.784 2.046
248 HA2 GLY 37 1HA GLY 37 5.646 -7.801 3.479
249 HA3 GLY 37 2HA GLY 37 4.319 -7.278 4.506
250 H GLU 38 H GLU 38 3.024 -8.776 5.407
251 HA GLU 38 HA GLU 38 3.517 -11.577 4.651
252 HB2 GLU 38 1HB GLU 38 2.779 -12.156 6.923
253 HB3 GLU 38 2HB GLU 38 4.151 -11.057 6.945
254 HG2 GLU 38 1HG GLU 38 1.384 -9.963 7.123
255 HG3 GLU 38 2HG GLU 38 2.137 -10.682 8.546
256 H ARG 39 H ARG 39 1.711 -10.033 3.149
257 HA ARG 39 HA ARG 39 -0.972 -10.490 4.047
258 HB2 ARG 39 1HB ARG 39 -0.398 -8.613 2.561
259 HB3 ARG 39 2HB ARG 39 0.062 -9.752 1.303
260 HG2 ARG 39 1HG ARG 39 -2.307 -10.622 1.400
261 HG3 ARG 39 2HG ARG 39 -2.680 -9.220 2.405
262 HD2 ARG 39 1HD ARG 39 -3.228 -8.491 0.271
263 HD3 ARG 39 2HD ARG 39 -1.600 -7.854 0.501
264 HE ARG 39 HE ARG 39 -1.530 -10.408 -0.733
265 HH11 ARG 39 1HH1 ARG 39 -2.200 -7.051 -1.362
266 HH12 ARG 39 2HH1 ARG 39 -1.792 -7.149 -3.043
267 HH21 ARG 39 1HH2 ARG 39 -0.991 -10.551 -2.945
268 HH22 ARG 39 2HH2 ARG 39 -1.105 -9.141 -3.942
269 H HIS 40 H HIS 40 -2.236 -12.213 3.728
270 HA HIS 40 HA HIS 40 -1.457 -14.196 1.708
271 HB2 HIS 40 1HB HIS 40 -0.591 -15.133 3.722
272 HB3 HIS 40 2HB HIS 40 -2.049 -14.725 4.620
273 HD2 HIS 40 HD2 HIS 40 -0.656 -17.549 2.388
274 HE1 HIS 40 HE1 HIS 40 -4.633 -18.578 3.446
275 HE2 HIS 40 HE2 HIS 40 -2.463 -19.398 2.465
276 H SER 41 H SER 41 -3.099 -14.424 0.354
277 HA SER 41 HA SER 41 -5.836 -14.397 1.441
278 HB2 SER 41 1HB SER 41 -5.333 -12.291 0.216
279 HB3 SER 41 2HB SER 41 -4.986 -13.243 -1.227
280 HG SER 41 HG SER 41 -7.044 -13.071 -1.590
281 H GLY 42 H GLY 42 -7.418 -15.365 -0.217
282 HA2 GLY 42 1HA GLY 42 -6.146 -17.744 -1.427
283 HA3 GLY 42 2HA GLY 42 -7.703 -17.794 -0.613
284 HA PRO 43 HA PRO 43 -8.210 -15.513 -4.885
285 HB2 PRO 43 1HB PRO 43 -6.319 -16.164 -6.720
286 HB3 PRO 43 2HB PRO 43 -6.175 -14.767 -5.647
287 HG2 PRO 43 1HG PRO 43 -4.939 -17.483 -5.398
288 HG3 PRO 43 2HG PRO 43 -4.210 -15.891 -5.115
289 HD2 PRO 43 1HD PRO 43 -5.085 -17.472 -3.098
290 HD3 PRO 43 2HD PRO 43 -5.138 -15.699 -3.015
291 H SER 44 H SER 44 -7.422 -18.717 -4.131
292 HA SER 44 HA SER 44 -8.680 -19.778 -6.557
293 HB2 SER 44 1HB SER 44 -6.445 -20.660 -5.527
294 HB3 SER 44 2HB SER 44 -7.506 -21.497 -4.394
295 HG SER 44 HG SER 44 -7.796 -22.917 -5.899
296 H SER 45 H SER 45 -10.343 -18.416 -4.758
297 HA SER 45 HA SER 45 -11.832 -20.572 -3.425
298 HB2 SER 45 1HB SER 45 -12.901 -18.845 -2.096
299 HB3 SER 45 2HB SER 45 -11.153 -18.620 -2.030
300 HG SER 45 HG SER 45 -12.056 -16.636 -2.425
301 H GLY 46 H GLY 46 -14.204 -20.474 -3.540
302 HA2 GLY 46 1HA GLY 46 -16.001 -19.184 -4.880
303 HA3 GLY 46 2HA GLY 46 -15.041 -19.709 -6.255
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -20.966 3.475 -7.301
2 HA2 GLY 1 1HA GLY 1 -18.552 4.417 -5.988
3 HA3 GLY 1 2HA GLY 1 -20.118 5.215 -5.993
4 H SER 2 H SER 2 -17.932 3.540 -4.130
5 HA SER 2 HA SER 2 -19.593 2.022 -2.438
6 HB2 SER 2 1HB SER 2 -17.075 1.891 -2.577
7 HB3 SER 2 2HB SER 2 -17.013 3.382 -1.638
8 HG SER 2 HG SER 2 -16.955 1.177 -0.540
9 H SER 3 H SER 3 -19.768 2.566 -0.018
10 HA SER 3 HA SER 3 -20.827 5.304 0.210
11 HB2 SER 3 1HB SER 3 -22.433 4.495 1.776
12 HB3 SER 3 2HB SER 3 -22.432 3.347 0.438
13 HG SER 3 HG SER 3 -22.225 2.662 2.847
14 H GLY 4 H GLY 4 -19.756 6.656 1.484
15 HA2 GLY 4 1HA GLY 4 -19.005 6.447 4.050
16 HA3 GLY 4 2HA GLY 4 -17.671 5.646 3.233
17 H SER 5 H SER 5 -16.337 6.863 1.814
18 HA SER 5 HA SER 5 -15.574 9.352 2.731
19 HB2 SER 5 1HB SER 5 -14.352 9.580 0.555
20 HB3 SER 5 2HB SER 5 -14.083 8.035 1.362
21 HG SER 5 HG SER 5 -15.402 7.042 -0.091
22 H SER 6 H SER 6 -16.834 11.092 2.845
23 HA SER 6 HA SER 6 -18.915 11.611 0.932
24 HB2 SER 6 1HB SER 6 -18.836 12.197 3.479
25 HB3 SER 6 2HB SER 6 -17.973 13.637 2.937
26 HG SER 6 HG SER 6 -20.567 12.797 2.147
27 H GLY 7 H GLY 7 -16.069 13.510 1.963
28 HA2 GLY 7 1HA GLY 7 -14.795 14.032 -0.323
29 HA3 GLY 7 2HA GLY 7 -16.210 15.060 -0.496
30 H THR 8 H THR 8 -14.142 14.285 2.296
31 HA THR 8 HA THR 8 -13.946 17.150 2.859
32 HB THR 8 HB THR 8 -13.119 14.809 4.586
33 HG1 THR 8 HG1 THR 8 -15.075 15.631 5.769
34 HG21 THR 8 3HG2 THR 8 -13.549 17.675 5.408
35 HG22 THR 8 1HG2 THR 8 -11.967 17.031 4.970
36 HG23 THR 8 2HG2 THR 8 -12.837 16.368 6.354
37 H GLY 9 H GLY 9 -12.359 17.932 1.531
38 HA2 GLY 9 1HA GLY 9 -10.127 18.546 1.227
39 HA3 GLY 9 2HA GLY 9 -9.642 17.187 2.231
40 H GLU 10 H GLU 10 -8.992 18.282 -0.602
41 HA GLU 10 HA GLU 10 -9.270 15.701 -1.997
42 HB2 GLU 10 1HB GLU 10 -10.387 17.791 -2.985
43 HB3 GLU 10 2HB GLU 10 -8.757 18.338 -3.355
44 HG2 GLU 10 1HG GLU 10 -9.955 15.749 -4.313
45 HG3 GLU 10 2HG GLU 10 -9.885 17.239 -5.253
46 H LYS 11 H LYS 11 -7.395 14.727 -1.321
47 HA LYS 11 HA LYS 11 -4.864 16.132 -1.545
48 HB2 LYS 11 1HB LYS 11 -5.446 13.277 -0.735
49 HB3 LYS 11 2HB LYS 11 -3.890 14.085 -0.603
50 HG2 LYS 11 1HG LYS 11 -4.902 15.699 0.968
51 HG3 LYS 11 2HG LYS 11 -6.413 14.790 0.883
52 HD2 LYS 11 1HD LYS 11 -4.818 12.776 1.512
53 HD3 LYS 11 2HD LYS 11 -3.827 14.077 2.175
54 HE2 LYS 11 1HE LYS 11 -5.965 14.856 3.346
55 HE3 LYS 11 2HE LYS 11 -6.622 13.275 2.927
56 HZ1 LYS 11 3HZ LYS 11 -4.047 13.525 4.349
57 HZ2 LYS 11 1HZ LYS 11 -5.090 12.195 4.274
58 HZ3 LYS 11 2HZ LYS 11 -5.513 13.552 5.192
59 HA PRO 12 HA PRO 12 -3.894 14.714 -5.598
60 HB2 PRO 12 1HB PRO 12 -1.187 14.872 -5.475
61 HB3 PRO 12 2HB PRO 12 -2.228 16.295 -5.590
62 HG2 PRO 12 1HG PRO 12 -0.920 15.096 -3.180
63 HG3 PRO 12 2HG PRO 12 -1.063 16.802 -3.642
64 HD2 PRO 12 1HD PRO 12 -2.678 15.652 -1.798
65 HD3 PRO 12 2HD PRO 12 -3.227 16.961 -2.864
66 H TYR 13 H TYR 13 -2.476 13.192 -2.778
67 HA TYR 13 HA TYR 13 -1.859 10.796 -4.366
68 HB2 TYR 13 1HB TYR 13 -0.985 11.424 -1.541
69 HB3 TYR 13 2HB TYR 13 -0.406 10.112 -2.561
70 HD1 TYR 13 HD1 TYR 13 0.509 11.023 -4.949
71 HD2 TYR 13 HD2 TYR 13 0.431 13.221 -1.307
72 HE1 TYR 13 HE1 TYR 13 2.314 12.467 -5.789
73 HE2 TYR 13 HE2 TYR 13 2.235 14.672 -2.137
74 HH TYR 13 HH TYR 13 3.604 15.130 -3.818
75 H LYS 14 H LYS 14 -3.302 9.220 -4.323
76 HA LYS 14 HA LYS 14 -4.729 8.650 -1.826
77 HB2 LYS 14 1HB LYS 14 -6.262 9.986 -3.175
78 HB3 LYS 14 2HB LYS 14 -6.029 8.908 -4.544
79 HG2 LYS 14 1HG LYS 14 -8.069 8.253 -3.644
80 HG3 LYS 14 2HG LYS 14 -6.925 7.067 -3.011
81 HD2 LYS 14 1HD LYS 14 -6.819 8.253 -0.899
82 HD3 LYS 14 2HD LYS 14 -7.874 9.521 -1.530
83 HE2 LYS 14 1HE LYS 14 -8.804 6.685 -1.558
84 HE3 LYS 14 2HE LYS 14 -8.844 7.592 -0.047
85 HZ1 LYS 14 3HZ LYS 14 -10.495 8.922 -0.783
86 HZ2 LYS 14 1HZ LYS 14 -10.839 7.597 -1.777
87 HZ3 LYS 14 2HZ LYS 14 -9.965 8.909 -2.390
88 H CYS 15 H CYS 15 -3.904 6.706 -1.348
89 HA CYS 15 HA CYS 15 -2.905 4.811 -3.110
90 HB2 CYS 15 1HB CYS 15 -2.355 4.571 -0.821
91 HB3 CYS 15 2HB CYS 15 -4.046 4.563 -0.333
92 H SER 16 H SER 16 -3.738 2.791 -3.840
93 HA SER 16 HA SER 16 -6.643 2.864 -4.299
94 HB2 SER 16 1HB SER 16 -5.296 2.987 -6.345
95 HB3 SER 16 2HB SER 16 -4.473 1.491 -5.905
96 HG SER 16 HG SER 16 -6.139 1.038 -7.346
97 H ASP 17 H ASP 17 -3.970 0.868 -3.230
98 HA ASP 17 HA ASP 17 -5.091 -1.636 -3.126
99 HB2 ASP 17 1HB ASP 17 -3.275 -0.314 -1.100
100 HB3 ASP 17 2HB ASP 17 -3.621 -2.041 -1.144
101 H CYS 18 H CYS 18 -5.377 0.934 -0.687
102 HA CYS 18 HA CYS 18 -7.676 -0.524 0.444
103 HB2 CYS 18 1HB CYS 18 -7.148 0.533 2.606
104 HB3 CYS 18 2HB CYS 18 -5.817 -0.462 2.026
105 H GLY 19 H GLY 19 -6.302 2.666 -0.253
106 HA2 GLY 19 1HA GLY 19 -7.697 4.314 -1.353
107 HA3 GLY 19 2HA GLY 19 -9.060 3.697 -0.430
108 H LYS 20 H LYS 20 -5.781 4.828 0.402
109 HA LYS 20 HA LYS 20 -7.018 6.567 2.433
110 HB2 LYS 20 1HB LYS 20 -4.540 4.922 2.420
111 HB3 LYS 20 2HB LYS 20 -4.488 6.452 3.284
112 HG2 LYS 20 1HG LYS 20 -6.180 5.790 4.775
113 HG3 LYS 20 2HG LYS 20 -6.641 4.417 3.765
114 HD2 LYS 20 1HD LYS 20 -4.375 3.446 4.196
115 HD3 LYS 20 2HD LYS 20 -4.100 4.749 5.355
116 HE2 LYS 20 1HE LYS 20 -4.842 2.744 6.502
117 HE3 LYS 20 2HE LYS 20 -6.062 4.009 6.632
118 HZ1 LYS 20 3HZ LYS 20 -7.527 2.843 5.409
119 HZ2 LYS 20 1HZ LYS 20 -6.607 1.513 5.906
120 HZ3 LYS 20 2HZ LYS 20 -6.349 2.197 4.381
121 H ALA 21 H ALA 21 -6.621 8.707 2.395
122 HA ALA 21 HA ALA 21 -5.036 9.732 0.161
123 HB1 ALA 21 3HB ALA 21 -7.405 10.483 0.557
124 HB2 ALA 21 1HB ALA 21 -6.821 11.312 2.000
125 HB3 ALA 21 2HB ALA 21 -6.216 11.776 0.409
126 H PHE 22 H PHE 22 -3.334 11.148 0.400
127 HA PHE 22 HA PHE 22 -2.454 11.768 3.130
128 HB2 PHE 22 1HB PHE 22 -0.496 10.854 1.033
129 HB3 PHE 22 2HB PHE 22 -0.253 10.995 2.771
130 HD1 PHE 22 HD1 PHE 22 -1.923 9.025 0.137
131 HD2 PHE 22 HD2 PHE 22 -0.766 9.212 4.228
132 HE1 PHE 22 HE1 PHE 22 -2.491 6.646 0.402
133 HE2 PHE 22 HE2 PHE 22 -1.330 6.833 4.500
134 HZ PHE 22 HZ PHE 22 -2.193 5.546 2.586
135 H THR 23 H THR 23 -1.362 13.692 3.370
136 HA THR 23 HA THR 23 -1.670 15.576 1.190
137 HB THR 23 HB THR 23 -0.653 16.019 4.004
138 HG1 THR 23 HG1 THR 23 -3.003 15.391 3.439
139 HG21 THR 23 3HG2 THR 23 -1.129 18.403 3.523
140 HG22 THR 23 1HG2 THR 23 -1.456 17.973 1.845
141 HG23 THR 23 2HG2 THR 23 0.160 17.747 2.514
142 H ARG 24 H ARG 24 0.909 13.955 2.925
143 HA ARG 24 HA ARG 24 2.938 15.462 1.457
144 HB2 ARG 24 1HB ARG 24 2.935 13.722 3.874
145 HB3 ARG 24 2HB ARG 24 4.412 13.795 2.923
146 HG2 ARG 24 1HG ARG 24 4.795 15.997 3.428
147 HG3 ARG 24 2HG ARG 24 3.087 16.340 3.714
148 HD2 ARG 24 1HD ARG 24 4.017 16.382 5.848
149 HD3 ARG 24 2HD ARG 24 3.323 14.765 5.731
150 HE ARG 24 HE ARG 24 6.074 14.858 4.940
151 HH11 ARG 24 1HH1 ARG 24 3.911 14.643 7.659
152 HH12 ARG 24 2HH1 ARG 24 5.064 13.850 8.680
153 HH21 ARG 24 1HH2 ARG 24 7.601 13.815 6.275
154 HH22 ARG 24 2HH2 ARG 24 7.163 13.380 7.892
155 H LYS 25 H LYS 25 4.934 13.837 0.978
156 HA LYS 25 HA LYS 25 3.848 11.968 -0.989
157 HB2 LYS 25 1HB LYS 25 6.582 13.182 -0.605
158 HB3 LYS 25 2HB LYS 25 6.265 11.910 -1.776
159 HG2 LYS 25 1HG LYS 25 6.117 13.833 -3.045
160 HG3 LYS 25 2HG LYS 25 4.429 13.489 -2.660
161 HD2 LYS 25 1HD LYS 25 4.699 15.799 -2.284
162 HD3 LYS 25 2HD LYS 25 4.720 15.060 -0.681
163 HE2 LYS 25 1HE LYS 25 6.521 16.476 -0.529
164 HE3 LYS 25 2HE LYS 25 7.307 14.997 -1.079
165 HZ1 LYS 25 3HZ LYS 25 7.286 15.837 -3.326
166 HZ2 LYS 25 1HZ LYS 25 8.042 16.961 -2.312
167 HZ3 LYS 25 2HZ LYS 25 6.459 17.231 -2.843
168 H SER 26 H SER 26 6.378 12.035 1.520
169 HA SER 26 HA SER 26 7.064 9.339 1.432
170 HB2 SER 26 1HB SER 26 7.287 11.500 3.472
171 HB3 SER 26 2HB SER 26 7.543 9.841 4.010
172 HG SER 26 HG SER 26 9.484 10.150 3.265
173 H GLY 27 H GLY 27 4.461 10.974 3.158
174 HA2 GLY 27 1HA GLY 27 3.609 9.040 4.907
175 HA3 GLY 27 2HA GLY 27 2.519 10.128 4.059
176 H LEU 28 H LEU 28 2.979 9.192 1.430
177 HA LEU 28 HA LEU 28 1.319 6.829 1.498
178 HB2 LEU 28 1HB LEU 28 0.694 8.414 -0.118
179 HB3 LEU 28 2HB LEU 28 2.350 8.609 -0.687
180 HG LEU 28 HG LEU 28 2.170 6.206 -1.524
181 HD11 LEU 28 1HD1 LEU 28 -0.402 5.856 -2.110
182 HD12 LEU 28 2HD1 LEU 28 -0.590 6.701 -0.574
183 HD13 LEU 28 3HD1 LEU 28 0.336 5.202 -0.648
184 HD21 LEU 28 3HD2 LEU 28 2.184 7.577 -3.311
185 HD22 LEU 28 1HD2 LEU 28 0.972 8.659 -2.624
186 HD23 LEU 28 2HD2 LEU 28 0.473 7.156 -3.398
187 H HIS 29 H HIS 29 4.575 7.686 0.405
188 HA HIS 29 HA HIS 29 5.326 5.337 -0.830
189 HB2 HIS 29 1HB HIS 29 6.953 7.234 0.866
190 HB3 HIS 29 2HB HIS 29 7.665 5.919 -0.065
191 HD2 HIS 29 HD2 HIS 29 5.713 6.535 -2.775
192 HE1 HIS 29 HE1 HIS 29 7.886 10.179 -2.748
193 HE2 HIS 29 HE2 HIS 29 6.368 8.672 -4.077
194 H ILE 30 H ILE 30 5.683 6.152 2.620
195 HA ILE 30 HA ILE 30 6.723 3.645 3.390
196 HB ILE 30 HB ILE 30 5.217 5.653 5.070
197 HG12 ILE 30 1HG1 ILE 30 8.204 5.280 4.853
198 HG13 ILE 30 2HG1 ILE 30 7.319 6.435 3.864
199 HG21 ILE 30 1HG2 ILE 30 7.203 4.063 6.437
200 HG22 ILE 30 2HG2 ILE 30 5.506 4.329 6.834
201 HG23 ILE 30 3HG2 ILE 30 5.958 3.051 5.706
202 HD11 ILE 30 3HD1 ILE 30 8.429 7.329 5.947
203 HD12 ILE 30 1HD1 ILE 30 6.726 7.731 5.729
204 HD13 ILE 30 2HD1 ILE 30 7.195 6.460 6.859
205 H HIS 31 H HIS 31 3.430 4.981 3.607
206 HA HIS 31 HA HIS 31 2.147 2.856 4.803
207 HB2 HIS 31 1HB HIS 31 0.764 4.683 4.543
208 HB3 HIS 31 2HB HIS 31 1.285 4.976 2.886
209 HD1 HIS 31 HD1 HIS 31 -0.762 2.387 4.782
210 HD2 HIS 31 HD2 HIS 31 -0.534 4.189 1.046
211 HE1 HIS 31 HE1 HIS 31 -2.727 1.501 3.487
212 H GLN 32 H GLN 32 2.366 3.420 1.285
213 HA GLN 32 HA GLN 32 1.175 1.261 0.245
214 HB2 GLN 32 1HB GLN 32 3.705 2.651 -0.533
215 HB3 GLN 32 2HB GLN 32 3.224 1.204 -1.410
216 HG2 GLN 32 1HG GLN 32 0.937 2.435 -1.621
217 HG3 GLN 32 2HG GLN 32 1.902 3.871 -1.284
218 HE21 GLN 32 1HE2 GLN 32 0.605 2.161 -3.694
219 HE22 GLN 32 2HE2 GLN 32 1.722 2.506 -4.966
220 H GLN 33 H GLN 33 4.469 1.236 1.575
221 HA GLN 33 HA GLN 33 5.212 -1.351 1.037
222 HB2 GLN 33 1HB GLN 33 5.742 0.161 3.601
223 HB3 GLN 33 2HB GLN 33 6.654 -1.224 3.015
224 HG2 GLN 33 1HG GLN 33 6.413 1.341 1.473
225 HG3 GLN 33 2HG GLN 33 7.693 1.039 2.646
226 HE21 GLN 33 1HE2 GLN 33 6.498 0.395 -0.506
227 HE22 GLN 33 2HE2 GLN 33 7.833 -0.553 -1.060
228 H SER 34 H SER 34 3.283 -0.196 3.783
229 HA SER 34 HA SER 34 3.009 -2.424 5.304
230 HB2 SER 34 1HB SER 34 1.893 -0.191 5.678
231 HB3 SER 34 2HB SER 34 0.648 -0.697 4.536
232 HG SER 34 HG SER 34 0.138 -1.114 6.772
233 H HIS 35 H HIS 35 1.623 -1.871 2.146
234 HA HIS 35 HA HIS 35 -0.086 -4.190 2.242
235 HB2 HIS 35 1HB HIS 35 0.726 -2.465 -0.107
236 HB3 HIS 35 2HB HIS 35 -0.556 -3.673 -0.114
237 HD1 HIS 35 HD1 HIS 35 -1.900 -2.900 2.581
238 HD2 HIS 35 HD2 HIS 35 -0.785 -0.204 -0.377
239 HE1 HIS 35 HE1 HIS 35 -3.346 -0.873 2.939
240 H THR 36 H THR 36 2.076 -5.344 2.947
241 HA THR 36 HA THR 36 3.165 -6.617 0.523
242 HB THR 36 HB THR 36 5.292 -6.984 1.778
243 HG1 THR 36 HG1 THR 36 3.859 -5.521 3.696
244 HG21 THR 36 3HG2 THR 36 5.675 -4.279 1.870
245 HG22 THR 36 1HG2 THR 36 4.276 -4.411 0.806
246 HG23 THR 36 2HG2 THR 36 5.769 -5.263 0.410
247 H GLY 37 H GLY 37 2.511 -6.989 3.994
248 HA2 GLY 37 1HA GLY 37 1.662 -8.809 5.133
249 HA3 GLY 37 2HA GLY 37 1.472 -9.630 3.591
250 H GLU 38 H GLU 38 3.782 -10.106 2.570
251 HA GLU 38 HA GLU 38 4.913 -12.171 3.981
252 HB2 GLU 38 1HB GLU 38 6.949 -11.790 2.494
253 HB3 GLU 38 2HB GLU 38 5.410 -12.041 1.682
254 HG2 GLU 38 1HG GLU 38 5.206 -9.754 1.146
255 HG3 GLU 38 2HG GLU 38 6.514 -9.306 2.239
256 H ARG 39 H ARG 39 6.378 -12.395 5.565
257 HA ARG 39 HA ARG 39 7.355 -9.979 6.858
258 HB2 ARG 39 1HB ARG 39 6.339 -11.644 8.287
259 HB3 ARG 39 2HB ARG 39 7.430 -12.884 7.682
260 HG2 ARG 39 1HG ARG 39 9.326 -11.571 8.645
261 HG3 ARG 39 2HG ARG 39 8.128 -10.513 9.394
262 HD2 ARG 39 1HD ARG 39 7.144 -12.577 10.456
263 HD3 ARG 39 2HD ARG 39 8.563 -13.452 9.882
264 HE ARG 39 HE ARG 39 9.362 -11.167 11.332
265 HH11 ARG 39 1HH1 ARG 39 7.971 -14.326 11.783
266 HH12 ARG 39 2HH1 ARG 39 8.593 -14.514 13.389
267 HH21 ARG 39 1HH2 ARG 39 10.187 -11.402 13.445
268 HH22 ARG 39 2HH2 ARG 39 9.853 -12.850 14.334
269 H HIS 40 H HIS 40 9.405 -9.287 6.821
270 HA HIS 40 HA HIS 40 11.349 -10.876 5.306
271 HB2 HIS 40 1HB HIS 40 12.475 -8.872 4.797
272 HB3 HIS 40 2HB HIS 40 10.768 -8.453 4.693
273 HD2 HIS 40 HD2 HIS 40 13.921 -7.486 6.692
274 HE1 HIS 40 HE1 HIS 40 10.665 -5.270 8.268
275 HE2 HIS 40 HE2 HIS 40 13.170 -5.520 8.195
276 H SER 41 H SER 41 13.100 -11.737 6.235
277 HA SER 41 HA SER 41 13.551 -11.166 9.082
278 HB2 SER 41 1HB SER 41 14.083 -13.576 7.363
279 HB3 SER 41 2HB SER 41 14.933 -13.356 8.892
280 HG SER 41 HG SER 41 12.158 -13.052 8.882
281 H GLY 42 H GLY 42 15.702 -10.939 9.877
282 HA2 GLY 42 1HA GLY 42 17.336 -9.255 8.328
283 HA3 GLY 42 2HA GLY 42 17.803 -10.017 9.840
284 HA PRO 43 HA PRO 43 19.852 -11.944 5.943
285 HB2 PRO 43 1HB PRO 43 22.136 -10.483 5.811
286 HB3 PRO 43 2HB PRO 43 20.670 -10.056 4.921
287 HG2 PRO 43 1HG PRO 43 21.709 -8.950 7.502
288 HG3 PRO 43 2HG PRO 43 21.003 -8.091 6.120
289 HD2 PRO 43 1HD PRO 43 19.594 -8.647 8.365
290 HD3 PRO 43 2HD PRO 43 18.843 -8.584 6.757
291 H SER 44 H SER 44 21.562 -13.418 6.080
292 HA SER 44 HA SER 44 22.564 -13.842 8.800
293 HB2 SER 44 1HB SER 44 23.144 -16.128 7.953
294 HB3 SER 44 2HB SER 44 21.424 -15.752 7.855
295 HG SER 44 HG SER 44 22.602 -16.713 5.935
296 H SER 45 H SER 45 24.677 -13.767 9.318
297 HA SER 45 HA SER 45 26.542 -12.994 7.182
298 HB2 SER 45 1HB SER 45 26.390 -12.377 10.110
299 HB3 SER 45 2HB SER 45 27.954 -12.324 9.298
300 HG SER 45 HG SER 45 27.385 -10.537 8.351
301 H GLY 46 H GLY 46 28.777 -13.773 7.357
302 HA2 GLY 46 1HA GLY 46 29.097 -16.452 7.230
303 HA3 GLY 46 2HA GLY 46 30.387 -15.385 7.767
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -27.604 7.761 2.406
2 HA2 GLY 1 1HA GLY 1 -25.732 5.508 2.579
3 HA3 GLY 1 2HA GLY 1 -26.244 6.312 1.103
4 H SER 2 H SER 2 -24.293 6.852 0.259
5 HA SER 2 HA SER 2 -22.658 8.716 1.851
6 HB2 SER 2 1HB SER 2 -21.713 6.323 1.388
7 HB3 SER 2 2HB SER 2 -21.424 6.946 -0.237
8 HG SER 2 HG SER 2 -19.741 7.183 1.553
9 H SER 3 H SER 3 -24.711 9.571 0.197
10 HA SER 3 HA SER 3 -23.748 10.236 -2.413
11 HB2 SER 3 1HB SER 3 -26.155 10.951 -0.783
12 HB3 SER 3 2HB SER 3 -25.772 11.916 -2.209
13 HG SER 3 HG SER 3 -26.133 10.212 -3.485
14 H GLY 4 H GLY 4 -22.835 12.101 -3.151
15 HA2 GLY 4 1HA GLY 4 -22.723 14.609 -2.407
16 HA3 GLY 4 2HA GLY 4 -21.795 13.907 -1.090
17 H SER 5 H SER 5 -20.853 15.839 -2.970
18 HA SER 5 HA SER 5 -18.925 14.272 -4.545
19 HB2 SER 5 1HB SER 5 -20.082 17.022 -4.873
20 HB3 SER 5 2HB SER 5 -18.522 16.633 -5.599
21 HG SER 5 HG SER 5 -19.904 14.658 -6.334
22 H SER 6 H SER 6 -16.752 15.440 -4.802
23 HA SER 6 HA SER 6 -15.796 16.077 -2.112
24 HB2 SER 6 1HB SER 6 -14.498 15.040 -4.606
25 HB3 SER 6 2HB SER 6 -13.510 15.841 -3.385
26 HG SER 6 HG SER 6 -13.824 14.219 -2.040
27 H GLY 7 H GLY 7 -16.543 18.241 -2.029
28 HA2 GLY 7 1HA GLY 7 -16.076 20.223 -3.931
29 HA3 GLY 7 2HA GLY 7 -16.273 20.512 -2.208
30 H THR 8 H THR 8 -14.471 20.796 -0.910
31 HA THR 8 HA THR 8 -12.319 22.150 -1.831
32 HB THR 8 HB THR 8 -12.188 20.200 0.477
33 HG1 THR 8 HG1 THR 8 -13.204 21.702 1.648
34 HG21 THR 8 3HG2 THR 8 -10.365 21.414 1.284
35 HG22 THR 8 1HG2 THR 8 -10.704 22.798 0.246
36 HG23 THR 8 2HG2 THR 8 -10.049 21.315 -0.448
37 H GLY 9 H GLY 9 -10.348 21.745 -2.718
38 HA2 GLY 9 1HA GLY 9 -9.909 19.557 -4.323
39 HA3 GLY 9 2HA GLY 9 -8.625 20.582 -3.700
40 H GLU 10 H GLU 10 -9.552 17.482 -3.946
41 HA GLU 10 HA GLU 10 -9.092 16.450 -1.350
42 HB2 GLU 10 1HB GLU 10 -8.808 14.274 -2.512
43 HB3 GLU 10 2HB GLU 10 -10.273 15.124 -2.982
44 HG2 GLU 10 1HG GLU 10 -9.444 14.327 -4.988
45 HG3 GLU 10 2HG GLU 10 -8.892 16.001 -4.957
46 H LYS 11 H LYS 11 -7.252 14.747 -1.072
47 HA LYS 11 HA LYS 11 -4.814 16.166 -0.973
48 HB2 LYS 11 1HB LYS 11 -5.663 13.362 -0.393
49 HB3 LYS 11 2HB LYS 11 -3.943 13.706 -0.523
50 HG2 LYS 11 1HG LYS 11 -4.231 14.020 1.709
51 HG3 LYS 11 2HG LYS 11 -4.561 15.658 1.140
52 HD2 LYS 11 1HD LYS 11 -6.832 13.745 1.309
53 HD3 LYS 11 2HD LYS 11 -6.189 14.408 2.813
54 HE2 LYS 11 1HE LYS 11 -6.773 16.265 0.559
55 HE3 LYS 11 2HE LYS 11 -8.121 15.621 1.493
56 HZ1 LYS 11 3HZ LYS 11 -5.913 17.354 2.393
57 HZ2 LYS 11 1HZ LYS 11 -6.754 16.394 3.504
58 HZ3 LYS 11 2HZ LYS 11 -7.579 17.560 2.600
59 HA PRO 12 HA PRO 12 -3.111 15.434 -4.966
60 HB2 PRO 12 1HB PRO 12 -0.478 15.726 -4.372
61 HB3 PRO 12 2HB PRO 12 -1.599 17.089 -4.459
62 HG2 PRO 12 1HG PRO 12 -0.593 15.615 -2.056
63 HG3 PRO 12 2HG PRO 12 -0.799 17.360 -2.293
64 HD2 PRO 12 1HD PRO 12 -2.585 15.855 -0.923
65 HD3 PRO 12 2HD PRO 12 -3.064 17.277 -1.872
66 H TYR 13 H TYR 13 -2.275 13.503 -2.213
67 HA TYR 13 HA TYR 13 -1.276 11.395 -4.014
68 HB2 TYR 13 1HB TYR 13 -0.547 11.641 -1.098
69 HB3 TYR 13 2HB TYR 13 0.211 10.630 -2.324
70 HD1 TYR 13 HD1 TYR 13 1.556 11.731 -4.146
71 HD2 TYR 13 HD2 TYR 13 0.184 13.855 -0.724
72 HE1 TYR 13 HE1 TYR 13 3.212 13.496 -4.585
73 HE2 TYR 13 HE2 TYR 13 1.836 15.626 -1.154
74 HH TYR 13 HH TYR 13 3.924 15.954 -2.306
75 H LYS 14 H LYS 14 -2.009 9.308 -3.702
76 HA LYS 14 HA LYS 14 -3.818 8.705 -1.523
77 HB2 LYS 14 1HB LYS 14 -5.336 9.756 -3.110
78 HB3 LYS 14 2HB LYS 14 -4.762 8.703 -4.396
79 HG2 LYS 14 1HG LYS 14 -5.836 6.839 -3.521
80 HG3 LYS 14 2HG LYS 14 -5.992 7.562 -1.918
81 HD2 LYS 14 1HD LYS 14 -7.766 8.916 -2.565
82 HD3 LYS 14 2HD LYS 14 -7.359 8.798 -4.278
83 HE2 LYS 14 1HE LYS 14 -8.327 6.470 -2.630
84 HE3 LYS 14 2HE LYS 14 -9.400 7.516 -3.558
85 HZ1 LYS 14 3HZ LYS 14 -8.511 6.785 -5.557
86 HZ2 LYS 14 1HZ LYS 14 -8.579 5.368 -4.636
87 HZ3 LYS 14 2HZ LYS 14 -7.106 6.173 -4.841
88 H CYS 15 H CYS 15 -4.064 6.509 -1.157
89 HA CYS 15 HA CYS 15 -2.069 4.832 -2.407
90 HB2 CYS 15 1HB CYS 15 -2.279 4.608 -0.039
91 HB3 CYS 15 2HB CYS 15 -4.022 4.383 -0.149
92 H SER 16 H SER 16 -2.486 3.852 -4.267
93 HA SER 16 HA SER 16 -5.191 3.312 -5.116
94 HB2 SER 16 1HB SER 16 -3.333 4.091 -6.651
95 HB3 SER 16 2HB SER 16 -2.638 2.477 -6.502
96 HG SER 16 HG SER 16 -4.082 2.843 -8.344
97 H ASP 17 H ASP 17 -4.615 1.909 -2.797
98 HA ASP 17 HA ASP 17 -4.661 -0.862 -3.788
99 HB2 ASP 17 1HB ASP 17 -2.513 -0.098 -2.531
100 HB3 ASP 17 2HB ASP 17 -3.523 -0.190 -1.091
101 H CYS 18 H CYS 18 -5.349 1.120 -0.902
102 HA CYS 18 HA CYS 18 -7.784 -0.490 -0.497
103 HB2 CYS 18 1HB CYS 18 -7.636 0.281 1.889
104 HB3 CYS 18 2HB CYS 18 -6.314 -0.763 1.377
105 H GLY 19 H GLY 19 -6.449 2.794 -0.266
106 HA2 GLY 19 1HA GLY 19 -7.901 4.481 -1.441
107 HA3 GLY 19 2HA GLY 19 -9.210 3.825 -0.468
108 H LYS 20 H LYS 20 -5.864 4.776 0.297
109 HA LYS 20 HA LYS 20 -6.959 6.510 2.413
110 HB2 LYS 20 1HB LYS 20 -5.649 4.566 3.230
111 HB3 LYS 20 2HB LYS 20 -4.256 5.157 2.334
112 HG2 LYS 20 1HG LYS 20 -3.987 7.003 3.737
113 HG3 LYS 20 2HG LYS 20 -5.616 6.851 4.398
114 HD2 LYS 20 1HD LYS 20 -3.718 4.589 4.774
115 HD3 LYS 20 2HD LYS 20 -3.493 6.043 5.750
116 HE2 LYS 20 1HE LYS 20 -6.008 5.818 6.264
117 HE3 LYS 20 2HE LYS 20 -5.834 4.170 5.662
118 HZ1 LYS 20 3HZ LYS 20 -5.183 5.172 8.197
119 HZ2 LYS 20 1HZ LYS 20 -3.752 4.655 7.457
120 HZ3 LYS 20 2HZ LYS 20 -5.049 3.584 7.630
121 H ALA 21 H ALA 21 -6.634 8.619 2.189
122 HA ALA 21 HA ALA 21 -4.749 9.552 0.158
123 HB1 ALA 21 3HB ALA 21 -6.196 11.200 -0.241
124 HB2 ALA 21 1HB ALA 21 -7.322 10.322 0.794
125 HB3 ALA 21 2HB ALA 21 -6.323 11.610 1.470
126 H PHE 22 H PHE 22 -3.068 10.939 0.575
127 HA PHE 22 HA PHE 22 -2.530 11.562 3.401
128 HB2 PHE 22 1HB PHE 22 -0.420 10.766 1.389
129 HB3 PHE 22 2HB PHE 22 -0.198 11.035 3.115
130 HD1 PHE 22 HD1 PHE 22 -1.907 8.836 0.665
131 HD2 PHE 22 HD2 PHE 22 -0.415 9.278 4.627
132 HE1 PHE 22 HE1 PHE 22 -2.319 6.447 1.084
133 HE2 PHE 22 HE2 PHE 22 -0.824 6.890 5.051
134 HZ PHE 22 HZ PHE 22 -1.776 5.470 3.279
135 H THR 23 H THR 23 -0.759 13.268 3.592
136 HA THR 23 HA THR 23 -1.419 15.432 1.736
137 HB THR 23 HB THR 23 -0.011 15.548 4.411
138 HG1 THR 23 HG1 THR 23 -1.983 16.253 5.185
139 HG21 THR 23 3HG2 THR 23 -0.129 17.437 2.299
140 HG22 THR 23 1HG2 THR 23 0.530 17.652 3.920
141 HG23 THR 23 2HG2 THR 23 -1.163 18.026 3.600
142 H ARG 24 H ARG 24 1.387 13.806 3.169
143 HA ARG 24 HA ARG 24 3.139 15.194 1.269
144 HB2 ARG 24 1HB ARG 24 3.849 13.490 3.664
145 HB3 ARG 24 2HB ARG 24 4.988 14.370 2.656
146 HG2 ARG 24 1HG ARG 24 4.133 16.470 3.391
147 HG3 ARG 24 2HG ARG 24 2.787 15.689 4.223
148 HD2 ARG 24 1HD ARG 24 4.196 16.049 5.988
149 HD3 ARG 24 2HD ARG 24 4.729 14.444 5.489
150 HE ARG 24 HE ARG 24 6.743 15.342 4.876
151 HH11 ARG 24 1HH1 ARG 24 4.424 17.907 5.275
152 HH12 ARG 24 2HH1 ARG 24 5.598 19.171 5.112
153 HH21 ARG 24 1HH2 ARG 24 8.298 16.996 4.659
154 HH22 ARG 24 2HH2 ARG 24 7.801 18.651 4.760
155 H LYS 25 H LYS 25 4.404 14.108 -0.202
156 HA LYS 25 HA LYS 25 3.444 11.863 -1.449
157 HB2 LYS 25 1HB LYS 25 5.315 13.547 -2.142
158 HB3 LYS 25 2HB LYS 25 6.399 12.379 -1.397
159 HG2 LYS 25 1HG LYS 25 6.045 10.807 -3.013
160 HG3 LYS 25 2HG LYS 25 4.423 11.395 -3.386
161 HD2 LYS 25 1HD LYS 25 5.419 13.386 -4.447
162 HD3 LYS 25 2HD LYS 25 7.027 12.733 -4.123
163 HE2 LYS 25 1HE LYS 25 6.569 12.158 -6.354
164 HE3 LYS 25 2HE LYS 25 6.285 10.683 -5.432
165 HZ1 LYS 25 3HZ LYS 25 4.481 10.873 -6.889
166 HZ2 LYS 25 1HZ LYS 25 4.282 12.527 -6.589
167 HZ3 LYS 25 2HZ LYS 25 3.875 11.396 -5.399
168 H SER 26 H SER 26 5.991 12.010 1.021
169 HA SER 26 HA SER 26 6.655 9.301 1.062
170 HB2 SER 26 1HB SER 26 6.703 11.326 3.311
171 HB3 SER 26 2HB SER 26 7.475 9.742 3.377
172 HG SER 26 HG SER 26 8.556 11.909 2.498
173 H GLY 27 H GLY 27 4.336 11.062 3.121
174 HA2 GLY 27 1HA GLY 27 3.392 9.214 4.806
175 HA3 GLY 27 2HA GLY 27 2.303 10.295 3.950
176 H LEU 28 H LEU 28 2.717 9.229 1.341
177 HA LEU 28 HA LEU 28 0.975 6.933 1.534
178 HB2 LEU 28 1HB LEU 28 0.350 8.405 -0.157
179 HB3 LEU 28 2HB LEU 28 2.010 8.625 -0.707
180 HG LEU 28 HG LEU 28 1.927 6.243 -1.537
181 HD11 LEU 28 1HD1 LEU 28 -1.050 6.553 -1.271
182 HD12 LEU 28 2HD1 LEU 28 -0.073 5.676 -0.093
183 HD13 LEU 28 3HD1 LEU 28 -0.135 5.130 -1.769
184 HD21 LEU 28 3HD2 LEU 28 1.750 7.486 -3.385
185 HD22 LEU 28 1HD2 LEU 28 0.631 8.617 -2.625
186 HD23 LEU 28 2HD2 LEU 28 0.027 7.111 -3.316
187 H HIS 29 H HIS 29 4.137 7.604 0.033
188 HA HIS 29 HA HIS 29 4.791 5.154 -0.957
189 HB2 HIS 29 1HB HIS 29 6.158 7.414 -0.749
190 HB3 HIS 29 2HB HIS 29 6.899 6.575 0.611
191 HD2 HIS 29 HD2 HIS 29 6.077 4.982 -2.913
192 HE1 HIS 29 HE1 HIS 29 10.240 4.686 -2.152
193 HE2 HIS 29 HE2 HIS 29 8.379 4.172 -3.770
194 H ILE 30 H ILE 30 5.415 6.223 2.386
195 HA ILE 30 HA ILE 30 6.469 3.806 3.319
196 HB ILE 30 HB ILE 30 4.943 5.907 4.861
197 HG12 ILE 30 1HG1 ILE 30 7.929 5.511 4.615
198 HG13 ILE 30 2HG1 ILE 30 7.016 6.646 3.629
199 HG21 ILE 30 1HG2 ILE 30 5.738 4.966 6.851
200 HG22 ILE 30 2HG2 ILE 30 5.189 3.586 5.901
201 HG23 ILE 30 3HG2 ILE 30 6.910 3.953 6.008
202 HD11 ILE 30 3HD1 ILE 30 8.082 6.988 6.245
203 HD12 ILE 30 1HD1 ILE 30 7.277 8.165 5.208
204 HD13 ILE 30 2HD1 ILE 30 6.328 7.162 6.306
205 H HIS 31 H HIS 31 3.134 5.023 3.356
206 HA HIS 31 HA HIS 31 1.925 2.973 4.776
207 HB2 HIS 31 1HB HIS 31 0.612 4.879 4.282
208 HB3 HIS 31 2HB HIS 31 0.912 4.737 2.552
209 HD1 HIS 31 HD1 HIS 31 -0.838 2.749 5.286
210 HD2 HIS 31 HD2 HIS 31 -1.111 3.538 1.216
211 HE1 HIS 31 HE1 HIS 31 -2.937 1.597 4.517
212 H GLN 32 H GLN 32 2.443 3.209 1.263
213 HA GLN 32 HA GLN 32 1.232 0.894 0.428
214 HB2 GLN 32 1HB GLN 32 3.653 2.368 -0.543
215 HB3 GLN 32 2HB GLN 32 3.192 0.850 -1.300
216 HG2 GLN 32 1HG GLN 32 1.290 3.152 -0.997
217 HG3 GLN 32 2HG GLN 32 2.352 2.964 -2.392
218 HE21 GLN 32 1HE2 GLN 32 -0.157 3.059 -3.036
219 HE22 GLN 32 2HE2 GLN 32 -0.819 1.504 -3.392
220 H GLN 33 H GLN 33 4.529 1.254 1.692
221 HA GLN 33 HA GLN 33 5.623 -1.182 1.343
222 HB2 GLN 33 1HB GLN 33 5.637 0.376 3.934
223 HB3 GLN 33 2HB GLN 33 6.764 -0.909 3.520
224 HG2 GLN 33 1HG GLN 33 7.385 0.504 1.500
225 HG3 GLN 33 2HG GLN 33 6.507 1.813 2.290
226 HE21 GLN 33 1HE2 GLN 33 9.423 0.115 2.081
227 HE22 GLN 33 2HE2 GLN 33 10.243 0.872 3.400
228 H SER 34 H SER 34 3.316 -0.383 3.929
229 HA SER 34 HA SER 34 3.221 -2.802 5.242
230 HB2 SER 34 1HB SER 34 1.980 -0.588 5.749
231 HB3 SER 34 2HB SER 34 0.708 -1.232 4.712
232 HG SER 34 HG SER 34 0.256 -2.737 6.165
233 H HIS 35 H HIS 35 1.286 -1.798 2.432
234 HA HIS 35 HA HIS 35 -0.206 -4.142 2.150
235 HB2 HIS 35 1HB HIS 35 0.693 -2.098 0.120
236 HB3 HIS 35 2HB HIS 35 -0.394 -3.425 -0.278
237 HD1 HIS 35 HD1 HIS 35 -2.307 -3.391 2.064
238 HD2 HIS 35 HD2 HIS 35 -0.938 0.061 0.201
239 HE1 HIS 35 HE1 HIS 35 -4.024 -1.625 2.575
240 H THR 36 H THR 36 2.876 -3.219 0.637
241 HA THR 36 HA THR 36 3.175 -5.712 -0.730
242 HB THR 36 HB THR 36 5.340 -3.693 -0.125
243 HG1 THR 36 HG1 THR 36 3.699 -2.618 -1.211
244 HG21 THR 36 3HG2 THR 36 6.675 -4.900 -1.454
245 HG22 THR 36 1HG2 THR 36 5.415 -5.096 -2.671
246 HG23 THR 36 2HG2 THR 36 5.491 -6.197 -1.294
247 H GLY 37 H GLY 37 3.105 -7.403 0.722
248 HA2 GLY 37 1HA GLY 37 5.541 -8.066 2.026
249 HA3 GLY 37 2HA GLY 37 4.334 -7.568 3.202
250 H GLU 38 H GLU 38 4.300 -9.644 4.128
251 HA GLU 38 HA GLU 38 3.209 -11.781 2.432
252 HB2 GLU 38 1HB GLU 38 3.976 -13.342 4.102
253 HB3 GLU 38 2HB GLU 38 5.300 -12.264 3.684
254 HG2 GLU 38 1HG GLU 38 5.255 -11.193 5.717
255 HG3 GLU 38 2HG GLU 38 3.573 -11.622 6.026
256 H ARG 39 H ARG 39 1.501 -9.695 3.242
257 HA ARG 39 HA ARG 39 -0.206 -11.043 5.230
258 HB2 ARG 39 1HB ARG 39 0.761 -8.599 5.556
259 HB3 ARG 39 2HB ARG 39 -0.600 -8.169 4.528
260 HG2 ARG 39 1HG ARG 39 -2.162 -8.807 6.099
261 HG3 ARG 39 2HG ARG 39 -1.039 -9.889 6.926
262 HD2 ARG 39 1HD ARG 39 -0.684 -6.903 6.874
263 HD3 ARG 39 2HD ARG 39 -1.622 -7.727 8.119
264 HE ARG 39 HE ARG 39 1.033 -8.777 7.787
265 HH11 ARG 39 1HH1 ARG 39 -0.913 -6.358 9.362
266 HH12 ARG 39 2HH1 ARG 39 0.191 -6.140 10.679
267 HH21 ARG 39 1HH2 ARG 39 2.495 -8.499 9.515
268 HH22 ARG 39 2HH2 ARG 39 2.130 -7.358 10.765
269 H HIS 40 H HIS 40 -1.852 -12.073 4.326
270 HA HIS 40 HA HIS 40 -3.560 -12.631 2.929
271 HB2 HIS 40 1HB HIS 40 -3.676 -9.658 3.064
272 HB3 HIS 40 2HB HIS 40 -4.658 -10.458 1.841
273 HD2 HIS 40 HD2 HIS 40 -4.414 -10.238 5.749
274 HE1 HIS 40 HE1 HIS 40 -8.137 -11.977 4.693
275 HE2 HIS 40 HE2 HIS 40 -6.747 -11.009 6.557
276 H SER 41 H SER 41 -1.109 -12.966 1.790
277 HA SER 41 HA SER 41 -1.667 -12.332 -1.023
278 HB2 SER 41 1HB SER 41 0.805 -11.725 0.533
279 HB3 SER 41 2HB SER 41 0.989 -12.241 -1.143
280 HG SER 41 HG SER 41 0.518 -10.264 -1.636
281 H GLY 42 H GLY 42 -0.522 -13.762 -2.544
282 HA2 GLY 42 1HA GLY 42 0.811 -15.798 -2.827
283 HA3 GLY 42 2HA GLY 42 0.097 -16.385 -1.332
284 HA PRO 43 HA PRO 43 -2.897 -18.544 -3.705
285 HB2 PRO 43 1HB PRO 43 -4.907 -18.713 -1.888
286 HB3 PRO 43 2HB PRO 43 -3.422 -19.664 -1.769
287 HG2 PRO 43 1HG PRO 43 -4.171 -17.135 -0.353
288 HG3 PRO 43 2HG PRO 43 -3.380 -18.585 0.291
289 HD2 PRO 43 1HD PRO 43 -2.007 -16.344 -0.363
290 HD3 PRO 43 2HD PRO 43 -1.312 -17.970 -0.522
291 H SER 44 H SER 44 -3.573 -15.423 -2.359
292 HA SER 44 HA SER 44 -5.955 -15.148 -4.061
293 HB2 SER 44 1HB SER 44 -6.063 -14.623 -1.558
294 HB3 SER 44 2HB SER 44 -5.077 -13.207 -1.923
295 HG SER 44 HG SER 44 -6.899 -12.980 -3.647
296 H SER 45 H SER 45 -6.192 -13.316 -5.406
297 HA SER 45 HA SER 45 -4.215 -12.665 -7.100
298 HB2 SER 45 1HB SER 45 -5.399 -10.450 -7.464
299 HB3 SER 45 2HB SER 45 -6.423 -11.882 -7.564
300 HG SER 45 HG SER 45 -6.631 -11.315 -5.120
301 H GLY 46 H GLY 46 -2.578 -11.155 -7.312
302 HA2 GLY 46 1HA GLY 46 -1.154 -9.423 -6.654
303 HA3 GLY 46 2HA GLY 46 -2.046 -9.292 -5.146
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -30.610 12.767 2.115
2 HA2 GLY 1 1HA GLY 1 -28.099 11.265 2.520
3 HA3 GLY 1 2HA GLY 1 -28.206 12.589 1.369
4 H SER 2 H SER 2 -28.957 14.712 2.334
5 HA SER 2 HA SER 2 -28.281 16.463 3.648
6 HB2 SER 2 1HB SER 2 -29.020 16.261 6.001
7 HB3 SER 2 2HB SER 2 -30.243 15.671 4.875
8 HG SER 2 HG SER 2 -29.517 14.362 6.865
9 H SER 3 H SER 3 -26.106 14.912 2.911
10 HA SER 3 HA SER 3 -24.412 15.110 5.312
11 HB2 SER 3 1HB SER 3 -23.175 13.169 4.666
12 HB3 SER 3 2HB SER 3 -24.881 12.730 4.573
13 HG SER 3 HG SER 3 -23.064 12.598 2.659
14 H GLY 4 H GLY 4 -22.030 15.268 4.694
15 HA2 GLY 4 1HA GLY 4 -21.083 16.072 2.231
16 HA3 GLY 4 2HA GLY 4 -21.716 17.529 2.982
17 H SER 5 H SER 5 -18.975 16.945 2.264
18 HA SER 5 HA SER 5 -17.595 16.460 4.767
19 HB2 SER 5 1HB SER 5 -16.847 15.758 2.360
20 HB3 SER 5 2HB SER 5 -16.231 17.407 2.266
21 HG SER 5 HG SER 5 -15.152 15.287 3.485
22 H SER 6 H SER 6 -16.982 17.978 6.155
23 HA SER 6 HA SER 6 -17.183 20.789 5.324
24 HB2 SER 6 1HB SER 6 -17.416 21.318 7.698
25 HB3 SER 6 2HB SER 6 -18.597 20.093 7.234
26 HG SER 6 HG SER 6 -17.758 18.885 8.718
27 H GLY 7 H GLY 7 -15.181 21.158 4.429
28 HA2 GLY 7 1HA GLY 7 -13.057 22.131 4.818
29 HA3 GLY 7 2HA GLY 7 -12.974 21.275 6.351
30 H THR 8 H THR 8 -11.490 21.461 3.521
31 HA THR 8 HA THR 8 -10.663 18.647 3.614
32 HB THR 8 HB THR 8 -10.506 18.630 1.116
33 HG1 THR 8 HG1 THR 8 -10.729 20.566 0.268
34 HG21 THR 8 3HG2 THR 8 -13.327 19.121 2.054
35 HG22 THR 8 1HG2 THR 8 -12.428 17.654 2.436
36 HG23 THR 8 2HG2 THR 8 -12.785 18.057 0.757
37 H GLY 9 H GLY 9 -8.620 18.334 2.234
38 HA2 GLY 9 1HA GLY 9 -6.907 20.731 2.444
39 HA3 GLY 9 2HA GLY 9 -6.371 19.169 3.045
40 H GLU 10 H GLU 10 -4.632 20.061 1.419
41 HA GLU 10 HA GLU 10 -5.280 19.285 -1.325
42 HB2 GLU 10 1HB GLU 10 -2.895 20.691 -0.122
43 HB3 GLU 10 2HB GLU 10 -2.979 20.204 -1.809
44 HG2 GLU 10 1HG GLU 10 -5.022 21.994 -0.533
45 HG3 GLU 10 2HG GLU 10 -3.556 22.604 -1.298
46 H LYS 11 H LYS 11 -5.368 17.039 -1.100
47 HA LYS 11 HA LYS 11 -2.768 15.752 -0.576
48 HB2 LYS 11 1HB LYS 11 -4.106 13.728 0.083
49 HB3 LYS 11 2HB LYS 11 -4.249 15.097 1.179
50 HG2 LYS 11 1HG LYS 11 -6.262 14.823 -0.987
51 HG3 LYS 11 2HG LYS 11 -6.353 13.720 0.388
52 HD2 LYS 11 1HD LYS 11 -6.596 15.514 1.922
53 HD3 LYS 11 2HD LYS 11 -6.165 16.710 0.697
54 HE2 LYS 11 1HE LYS 11 -8.511 16.838 0.943
55 HE3 LYS 11 2HE LYS 11 -8.225 15.970 -0.564
56 HZ1 LYS 11 3HZ LYS 11 -9.272 14.192 0.218
57 HZ2 LYS 11 1HZ LYS 11 -9.790 15.138 1.522
58 HZ3 LYS 11 2HZ LYS 11 -8.391 14.197 1.662
59 HA PRO 12 HA PRO 12 -3.852 14.954 -4.986
60 HB2 PRO 12 1HB PRO 12 -1.294 15.148 -5.873
61 HB3 PRO 12 2HB PRO 12 -2.348 16.552 -5.668
62 HG2 PRO 12 1HG PRO 12 -0.213 15.505 -3.849
63 HG3 PRO 12 2HG PRO 12 -0.568 17.180 -4.310
64 HD2 PRO 12 1HD PRO 12 -1.361 16.120 -1.948
65 HD3 PRO 12 2HD PRO 12 -2.301 17.360 -2.801
66 H TYR 13 H TYR 13 -2.407 13.320 -2.522
67 HA TYR 13 HA TYR 13 -1.693 11.038 -4.245
68 HB2 TYR 13 1HB TYR 13 -0.755 11.367 -1.405
69 HB3 TYR 13 2HB TYR 13 -0.080 10.350 -2.673
70 HD1 TYR 13 HD1 TYR 13 0.519 11.922 -4.882
71 HD2 TYR 13 HD2 TYR 13 0.620 13.104 -0.795
72 HE1 TYR 13 HE1 TYR 13 2.140 13.686 -5.438
73 HE2 TYR 13 HE2 TYR 13 2.241 14.872 -1.341
74 HH TYR 13 HH TYR 13 3.638 15.156 -4.555
75 H LYS 14 H LYS 14 -2.887 9.257 -4.082
76 HA LYS 14 HA LYS 14 -4.373 8.724 -1.619
77 HB2 LYS 14 1HB LYS 14 -6.017 9.857 -2.929
78 HB3 LYS 14 2HB LYS 14 -5.585 8.950 -4.373
79 HG2 LYS 14 1HG LYS 14 -7.627 8.060 -3.589
80 HG3 LYS 14 2HG LYS 14 -6.376 6.882 -3.188
81 HD2 LYS 14 1HD LYS 14 -7.477 6.950 -1.190
82 HD3 LYS 14 2HD LYS 14 -6.324 8.259 -0.924
83 HE2 LYS 14 1HE LYS 14 -8.515 8.985 -0.240
84 HE3 LYS 14 2HE LYS 14 -8.041 9.868 -1.691
85 HZ1 LYS 14 3HZ LYS 14 -10.401 8.743 -1.441
86 HZ2 LYS 14 1HZ LYS 14 -9.568 7.409 -2.063
87 HZ3 LYS 14 2HZ LYS 14 -9.619 8.856 -2.937
88 H CYS 15 H CYS 15 -3.802 6.754 -1.001
89 HA CYS 15 HA CYS 15 -2.422 4.887 -2.507
90 HB2 CYS 15 1HB CYS 15 -2.347 4.585 -0.182
91 HB3 CYS 15 2HB CYS 15 -4.099 4.653 -0.024
92 H SER 16 H SER 16 -2.952 3.310 -3.905
93 HA SER 16 HA SER 16 -5.798 3.025 -4.585
94 HB2 SER 16 1HB SER 16 -4.994 2.188 -6.774
95 HB3 SER 16 2HB SER 16 -4.404 3.814 -6.428
96 HG SER 16 HG SER 16 -2.918 1.453 -5.915
97 H ASP 17 H ASP 17 -5.032 1.645 -2.364
98 HA ASP 17 HA ASP 17 -5.097 -1.134 -3.325
99 HB2 ASP 17 1HB ASP 17 -2.839 -0.532 -2.412
100 HB3 ASP 17 2HB ASP 17 -3.607 -0.226 -0.857
101 H CYS 18 H CYS 18 -5.551 0.881 -0.418
102 HA CYS 18 HA CYS 18 -7.878 -0.792 0.263
103 HB2 CYS 18 1HB CYS 18 -7.536 -0.063 2.594
104 HB3 CYS 18 2HB CYS 18 -6.123 -0.895 1.955
105 H GLY 19 H GLY 19 -6.653 2.546 0.331
106 HA2 GLY 19 1HA GLY 19 -8.285 4.137 -0.770
107 HA3 GLY 19 2HA GLY 19 -9.457 3.473 0.359
108 H LYS 20 H LYS 20 -6.136 4.767 0.542
109 HA LYS 20 HA LYS 20 -7.052 6.496 2.746
110 HB2 LYS 20 1HB LYS 20 -5.605 4.587 3.495
111 HB3 LYS 20 2HB LYS 20 -4.309 5.249 2.507
112 HG2 LYS 20 1HG LYS 20 -4.128 7.173 3.857
113 HG3 LYS 20 2HG LYS 20 -5.652 6.831 4.679
114 HD2 LYS 20 1HD LYS 20 -4.459 4.633 5.400
115 HD3 LYS 20 2HD LYS 20 -2.983 5.516 5.002
116 HE2 LYS 20 1HE LYS 20 -3.463 5.771 7.352
117 HE3 LYS 20 2HE LYS 20 -3.692 7.318 6.537
118 HZ1 LYS 20 3HZ LYS 20 -5.737 7.377 7.343
119 HZ2 LYS 20 1HZ LYS 20 -5.537 5.865 8.074
120 HZ3 LYS 20 2HZ LYS 20 -6.131 5.968 6.494
121 H ALA 21 H ALA 21 -6.316 8.590 2.777
122 HA ALA 21 HA ALA 21 -4.963 9.484 0.329
123 HB1 ALA 21 3HB ALA 21 -6.855 10.817 2.227
124 HB2 ALA 21 1HB ALA 21 -5.818 11.774 1.169
125 HB3 ALA 21 2HB ALA 21 -6.972 10.634 0.476
126 H PHE 22 H PHE 22 -3.379 11.205 0.489
127 HA PHE 22 HA PHE 22 -2.142 11.639 3.081
128 HB2 PHE 22 1HB PHE 22 -0.430 10.590 0.835
129 HB3 PHE 22 2HB PHE 22 -0.010 10.768 2.535
130 HD1 PHE 22 HD1 PHE 22 -2.096 8.832 0.173
131 HD2 PHE 22 HD2 PHE 22 -0.379 9.028 4.062
132 HE1 PHE 22 HE1 PHE 22 -2.739 6.491 0.571
133 HE2 PHE 22 HE2 PHE 22 -1.019 6.687 4.466
134 HZ PHE 22 HZ PHE 22 -2.200 5.415 2.719
135 H THR 23 H THR 23 -1.345 13.642 3.240
136 HA THR 23 HA THR 23 -1.553 15.411 0.978
137 HB THR 23 HB THR 23 -0.511 16.018 3.751
138 HG1 THR 23 HG1 THR 23 -3.125 16.489 2.728
139 HG21 THR 23 3HG2 THR 23 -1.020 17.630 1.331
140 HG22 THR 23 1HG2 THR 23 0.097 17.911 2.666
141 HG23 THR 23 2HG2 THR 23 -1.611 18.310 2.847
142 H ARG 24 H ARG 24 0.992 13.782 2.719
143 HA ARG 24 HA ARG 24 3.032 15.250 1.208
144 HB2 ARG 24 1HB ARG 24 3.053 13.648 3.729
145 HB3 ARG 24 2HB ARG 24 4.536 13.763 2.792
146 HG2 ARG 24 1HG ARG 24 4.670 16.085 3.079
147 HG3 ARG 24 2HG ARG 24 2.993 16.197 3.619
148 HD2 ARG 24 1HD ARG 24 4.096 16.351 5.624
149 HD3 ARG 24 2HD ARG 24 3.830 14.610 5.530
150 HE ARG 24 HE ARG 24 6.339 15.479 4.417
151 HH11 ARG 24 1HH1 ARG 24 4.665 14.469 7.297
152 HH12 ARG 24 2HH1 ARG 24 6.104 13.943 8.106
153 HH21 ARG 24 1HH2 ARG 24 8.241 14.790 5.471
154 HH22 ARG 24 2HH2 ARG 24 8.137 14.127 7.067
155 H LYS 25 H LYS 25 4.916 13.894 0.445
156 HA LYS 25 HA LYS 25 3.905 11.825 -1.272
157 HB2 LYS 25 1HB LYS 25 6.484 13.269 -0.935
158 HB3 LYS 25 2HB LYS 25 6.538 11.692 -1.711
159 HG2 LYS 25 1HG LYS 25 4.575 13.733 -2.651
160 HG3 LYS 25 2HG LYS 25 6.267 13.844 -3.141
161 HD2 LYS 25 1HD LYS 25 6.024 11.381 -3.823
162 HD3 LYS 25 2HD LYS 25 4.285 11.658 -3.700
163 HE2 LYS 25 1HE LYS 25 5.037 11.962 -5.990
164 HE3 LYS 25 2HE LYS 25 4.472 13.491 -5.318
165 HZ1 LYS 25 3HZ LYS 25 6.609 13.569 -6.616
166 HZ2 LYS 25 1HZ LYS 25 7.333 12.724 -5.340
167 HZ3 LYS 25 2HZ LYS 25 6.667 14.255 -5.071
168 H SER 26 H SER 26 6.155 11.972 1.466
169 HA SER 26 HA SER 26 6.895 9.265 1.468
170 HB2 SER 26 1HB SER 26 7.656 9.648 3.755
171 HB3 SER 26 2HB SER 26 8.082 11.028 2.744
172 HG SER 26 HG SER 26 6.629 11.003 4.969
173 H GLY 27 H GLY 27 4.265 10.965 3.134
174 HA2 GLY 27 1HA GLY 27 3.260 9.069 4.799
175 HA3 GLY 27 2HA GLY 27 2.233 10.147 3.866
176 H LEU 28 H LEU 28 2.702 9.211 1.297
177 HA LEU 28 HA LEU 28 1.081 6.833 1.322
178 HB2 LEU 28 1HB LEU 28 0.517 8.387 -0.339
179 HB3 LEU 28 2HB LEU 28 2.196 8.596 -0.833
180 HG LEU 28 HG LEU 28 2.128 6.255 -1.729
181 HD11 LEU 28 1HD1 LEU 28 0.127 5.625 -0.311
182 HD12 LEU 28 2HD1 LEU 28 0.085 5.113 -1.998
183 HD13 LEU 28 3HD1 LEU 28 -0.856 6.511 -1.477
184 HD21 LEU 28 3HD2 LEU 28 1.841 7.344 -3.639
185 HD22 LEU 28 1HD2 LEU 28 1.028 8.661 -2.793
186 HD23 LEU 28 2HD2 LEU 28 0.094 7.291 -3.394
187 H HIS 29 H HIS 29 4.378 7.675 0.344
188 HA HIS 29 HA HIS 29 5.165 5.292 -0.816
189 HB2 HIS 29 1HB HIS 29 6.613 7.438 0.681
190 HB3 HIS 29 2HB HIS 29 7.476 5.958 0.273
191 HD2 HIS 29 HD2 HIS 29 5.001 7.171 -2.422
192 HE1 HIS 29 HE1 HIS 29 8.903 8.282 -3.662
193 HE2 HIS 29 HE2 HIS 29 6.468 8.180 -4.298
194 H ILE 30 H ILE 30 5.468 6.219 2.613
195 HA ILE 30 HA ILE 30 6.479 3.733 3.480
196 HB ILE 30 HB ILE 30 4.965 5.813 5.063
197 HG12 ILE 30 1HG1 ILE 30 7.949 5.384 4.953
198 HG13 ILE 30 2HG1 ILE 30 7.120 6.496 3.869
199 HG21 ILE 30 1HG2 ILE 30 6.336 3.288 5.814
200 HG22 ILE 30 2HG2 ILE 30 6.495 4.671 6.896
201 HG23 ILE 30 3HG2 ILE 30 4.896 4.043 6.498
202 HD11 ILE 30 3HD1 ILE 30 7.517 6.675 6.820
203 HD12 ILE 30 1HD1 ILE 30 7.842 7.874 5.568
204 HD13 ILE 30 2HD1 ILE 30 6.180 7.525 6.046
205 H HIS 31 H HIS 31 3.190 5.082 3.532
206 HA HIS 31 HA HIS 31 1.885 2.985 4.793
207 HB2 HIS 31 1HB HIS 31 0.657 4.976 4.431
208 HB3 HIS 31 2HB HIS 31 0.963 4.944 2.697
209 HD1 HIS 31 HD1 HIS 31 -1.079 3.177 5.337
210 HD2 HIS 31 HD2 HIS 31 -0.904 3.591 1.207
211 HE1 HIS 31 HE1 HIS 31 -3.169 2.086 4.463
212 H GLN 32 H GLN 32 2.649 3.403 1.360
213 HA GLN 32 HA GLN 32 1.286 1.244 0.300
214 HB2 GLN 32 1HB GLN 32 3.890 2.537 -0.476
215 HB3 GLN 32 2HB GLN 32 3.211 1.205 -1.401
216 HG2 GLN 32 1HG GLN 32 1.476 3.543 -0.819
217 HG3 GLN 32 2HG GLN 32 2.741 3.714 -2.034
218 HE21 GLN 32 1HE2 GLN 32 -0.360 2.533 -1.343
219 HE22 GLN 32 2HE2 GLN 32 -0.661 1.748 -2.852
220 H GLN 33 H GLN 33 4.627 1.299 1.535
221 HA GLN 33 HA GLN 33 5.426 -1.257 1.095
222 HB2 GLN 33 1HB GLN 33 5.907 0.625 3.367
223 HB3 GLN 33 2HB GLN 33 6.518 -1.020 3.481
224 HG2 GLN 33 1HG GLN 33 7.118 0.813 1.177
225 HG3 GLN 33 2HG GLN 33 8.136 0.679 2.609
226 HE21 GLN 33 1HE2 GLN 33 9.813 -0.585 2.330
227 HE22 GLN 33 2HE2 GLN 33 9.884 -1.989 1.326
228 H SER 34 H SER 34 3.270 -0.158 3.671
229 HA SER 34 HA SER 34 3.057 -2.401 5.225
230 HB2 SER 34 1HB SER 34 0.802 -0.570 4.368
231 HB3 SER 34 2HB SER 34 0.748 -1.675 5.742
232 HG SER 34 HG SER 34 2.861 -0.374 6.227
233 H HIS 35 H HIS 35 1.478 -1.773 2.128
234 HA HIS 35 HA HIS 35 0.010 -4.244 2.160
235 HB2 HIS 35 1HB HIS 35 0.535 -2.347 -0.137
236 HB3 HIS 35 2HB HIS 35 -0.665 -3.636 -0.112
237 HD1 HIS 35 HD1 HIS 35 -1.874 -3.079 2.689
238 HD2 HIS 35 HD2 HIS 35 -1.115 -0.172 -0.180
239 HE1 HIS 35 HE1 HIS 35 -3.411 -1.168 3.246
240 H THR 36 H THR 36 2.157 -5.385 2.656
241 HA THR 36 HA THR 36 3.274 -6.341 0.107
242 HB THR 36 HB THR 36 5.453 -6.705 1.354
243 HG1 THR 36 HG1 THR 36 3.983 -5.251 3.257
244 HG21 THR 36 3HG2 THR 36 5.684 -5.000 -0.148
245 HG22 THR 36 1HG2 THR 36 5.890 -4.082 1.343
246 HG23 THR 36 2HG2 THR 36 4.332 -4.084 0.516
247 H GLY 37 H GLY 37 1.131 -7.541 1.431
248 HA2 GLY 37 1HA GLY 37 0.874 -9.961 1.482
249 HA3 GLY 37 2HA GLY 37 2.402 -10.044 2.346
250 H GLU 38 H GLU 38 -0.978 -9.080 2.599
251 HA GLU 38 HA GLU 38 -0.922 -8.450 5.359
252 HB2 GLU 38 1HB GLU 38 -2.707 -7.843 3.619
253 HB3 GLU 38 2HB GLU 38 -3.342 -9.461 3.881
254 HG2 GLU 38 1HG GLU 38 -3.711 -8.971 6.222
255 HG3 GLU 38 2HG GLU 38 -2.998 -7.371 6.019
256 H ARG 39 H ARG 39 0.276 -10.193 6.279
257 HA ARG 39 HA ARG 39 0.504 -12.144 7.426
258 HB2 ARG 39 1HB ARG 39 -2.511 -12.041 7.271
259 HB3 ARG 39 2HB ARG 39 -1.624 -13.229 8.218
260 HG2 ARG 39 1HG ARG 39 -0.581 -11.351 9.474
261 HG3 ARG 39 2HG ARG 39 -1.647 -10.246 8.605
262 HD2 ARG 39 1HD ARG 39 -2.647 -10.723 10.721
263 HD3 ARG 39 2HD ARG 39 -3.586 -11.547 9.478
264 HE ARG 39 HE ARG 39 -2.911 -13.578 10.339
265 HH11 ARG 39 1HH1 ARG 39 -1.125 -10.988 11.830
266 HH12 ARG 39 2HH1 ARG 39 -0.452 -11.992 13.071
267 HH21 ARG 39 1HH2 ARG 39 -2.030 -14.910 11.967
268 HH22 ARG 39 2HH2 ARG 39 -0.967 -14.223 13.148
269 H HIS 40 H HIS 40 0.814 -12.292 4.650
270 HA HIS 40 HA HIS 40 -0.112 -15.040 4.140
271 HB2 HIS 40 1HB HIS 40 -1.400 -13.848 2.606
272 HB3 HIS 40 2HB HIS 40 -0.135 -12.657 2.318
273 HD2 HIS 40 HD2 HIS 40 -0.278 -16.568 1.629
274 HE1 HIS 40 HE1 HIS 40 1.302 -14.554 -1.754
275 HE2 HIS 40 HE2 HIS 40 0.595 -16.774 -0.797
276 H SER 41 H SER 41 1.383 -16.458 3.391
277 HA SER 41 HA SER 41 3.855 -15.642 2.209
278 HB2 SER 41 1HB SER 41 5.372 -16.323 3.948
279 HB3 SER 41 2HB SER 41 4.247 -15.158 4.646
280 HG SER 41 HG SER 41 3.121 -16.862 5.584
281 H GLY 42 H GLY 42 5.337 -17.570 1.900
282 HA2 GLY 42 1HA GLY 42 3.671 -19.847 1.145
283 HA3 GLY 42 2HA GLY 42 5.318 -19.541 0.613
284 HA PRO 43 HA PRO 43 6.839 -22.450 3.512
285 HB2 PRO 43 1HB PRO 43 9.221 -21.351 4.211
286 HB3 PRO 43 2HB PRO 43 8.928 -22.081 2.628
287 HG2 PRO 43 1HG PRO 43 8.896 -19.194 3.417
288 HG3 PRO 43 2HG PRO 43 9.595 -19.952 1.974
289 HD2 PRO 43 1HD PRO 43 7.203 -18.683 1.940
290 HD3 PRO 43 2HD PRO 43 7.559 -20.077 0.900
291 H SER 44 H SER 44 7.742 -22.669 5.766
292 HA SER 44 HA SER 44 7.539 -22.354 8.010
293 HB2 SER 44 1HB SER 44 7.488 -19.447 7.172
294 HB3 SER 44 2HB SER 44 7.598 -19.992 8.845
295 HG SER 44 HG SER 44 9.478 -21.295 7.800
296 H SER 45 H SER 45 5.226 -23.031 6.648
297 HA SER 45 HA SER 45 3.128 -21.404 7.907
298 HB2 SER 45 1HB SER 45 2.777 -21.643 5.542
299 HB3 SER 45 2HB SER 45 3.025 -23.387 5.626
300 HG SER 45 HG SER 45 0.961 -23.512 5.937
301 H GLY 46 H GLY 46 2.322 -22.128 9.755
302 HA2 GLY 46 1HA GLY 46 1.558 -24.882 10.078
303 HA3 GLY 46 2HA GLY 46 2.934 -24.436 11.076
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -12.453 3.244 2.230
2 HA2 GLY 1 1HA GLY 1 -13.831 2.810 0.447
3 HA3 GLY 1 2HA GLY 1 -15.157 3.097 1.564
4 H SER 2 H SER 2 -16.377 4.043 -0.123
5 HA SER 2 HA SER 2 -15.540 6.796 -0.746
6 HB2 SER 2 1HB SER 2 -16.810 4.781 -2.607
7 HB3 SER 2 2HB SER 2 -16.733 6.507 -2.957
8 HG SER 2 HG SER 2 -14.635 6.363 -3.303
9 H SER 3 H SER 3 -17.120 6.125 1.435
10 HA SER 3 HA SER 3 -19.853 6.815 0.607
11 HB2 SER 3 1HB SER 3 -20.559 6.044 2.809
12 HB3 SER 3 2HB SER 3 -19.576 4.802 2.033
13 HG SER 3 HG SER 3 -17.865 5.361 3.334
14 H GLY 4 H GLY 4 -17.970 8.854 0.464
15 HA2 GLY 4 1HA GLY 4 -19.016 11.076 1.377
16 HA3 GLY 4 2HA GLY 4 -18.352 10.463 2.884
17 H SER 5 H SER 5 -16.420 11.218 3.404
18 HA SER 5 HA SER 5 -14.546 12.554 3.175
19 HB2 SER 5 1HB SER 5 -13.721 10.251 2.968
20 HB3 SER 5 2HB SER 5 -13.985 10.304 1.226
21 HG SER 5 HG SER 5 -11.814 10.749 1.746
22 H SER 6 H SER 6 -16.578 13.645 1.623
23 HA SER 6 HA SER 6 -15.122 14.527 -0.784
24 HB2 SER 6 1HB SER 6 -18.092 14.245 -0.305
25 HB3 SER 6 2HB SER 6 -17.417 15.121 -1.679
26 HG SER 6 HG SER 6 -17.715 12.456 -1.323
27 H GLY 7 H GLY 7 -14.049 16.152 0.459
28 HA2 GLY 7 1HA GLY 7 -15.727 18.530 0.825
29 HA3 GLY 7 2HA GLY 7 -14.726 18.004 2.169
30 H THR 8 H THR 8 -14.740 20.452 0.394
31 HA THR 8 HA THR 8 -12.746 20.711 -1.391
32 HB THR 8 HB THR 8 -13.233 22.601 0.918
33 HG1 THR 8 HG1 THR 8 -15.089 22.393 -0.298
34 HG21 THR 8 3HG2 THR 8 -11.885 24.147 -0.056
35 HG22 THR 8 1HG2 THR 8 -12.231 23.579 -1.689
36 HG23 THR 8 2HG2 THR 8 -11.076 22.709 -0.678
37 H GLY 9 H GLY 9 -10.918 19.506 -1.279
38 HA2 GLY 9 1HA GLY 9 -8.592 20.171 -0.291
39 HA3 GLY 9 2HA GLY 9 -9.332 19.575 1.187
40 H GLU 10 H GLU 10 -9.466 18.365 -2.155
41 HA GLU 10 HA GLU 10 -9.092 15.667 -1.268
42 HB2 GLU 10 1HB GLU 10 -9.420 16.996 -3.933
43 HB3 GLU 10 2HB GLU 10 -8.880 15.325 -3.854
44 HG2 GLU 10 1HG GLU 10 -11.347 16.214 -2.416
45 HG3 GLU 10 2HG GLU 10 -11.386 15.805 -4.130
46 H LYS 11 H LYS 11 -7.109 15.373 -0.350
47 HA LYS 11 HA LYS 11 -4.681 16.425 -0.993
48 HB2 LYS 11 1HB LYS 11 -5.379 13.651 -0.043
49 HB3 LYS 11 2HB LYS 11 -3.715 14.199 -0.198
50 HG2 LYS 11 1HG LYS 11 -3.990 15.834 1.476
51 HG3 LYS 11 2HG LYS 11 -5.748 15.670 1.452
52 HD2 LYS 11 1HD LYS 11 -5.201 13.183 2.103
53 HD3 LYS 11 2HD LYS 11 -3.685 13.890 2.667
54 HE2 LYS 11 1HE LYS 11 -4.744 15.189 4.273
55 HE3 LYS 11 2HE LYS 11 -6.303 15.107 3.454
56 HZ1 LYS 11 3HZ LYS 11 -6.366 12.715 4.039
57 HZ2 LYS 11 1HZ LYS 11 -6.387 13.738 5.386
58 HZ3 LYS 11 2HZ LYS 11 -4.964 12.929 4.961
59 HA PRO 12 HA PRO 12 -3.626 15.045 -5.038
60 HB2 PRO 12 1HB PRO 12 -0.926 15.278 -4.884
61 HB3 PRO 12 2HB PRO 12 -2.005 16.673 -5.008
62 HG2 PRO 12 1HG PRO 12 -0.691 15.504 -2.586
63 HG3 PRO 12 2HG PRO 12 -0.877 17.206 -3.046
64 HD2 PRO 12 1HD PRO 12 -2.479 16.007 -1.223
65 HD3 PRO 12 2HD PRO 12 -3.052 17.303 -2.292
66 H TYR 13 H TYR 13 -1.887 13.648 -2.286
67 HA TYR 13 HA TYR 13 -1.230 11.270 -3.841
68 HB2 TYR 13 1HB TYR 13 -0.570 11.875 -0.953
69 HB3 TYR 13 2HB TYR 13 0.135 10.612 -1.957
70 HD1 TYR 13 HD1 TYR 13 1.759 11.169 -3.701
71 HD2 TYR 13 HD2 TYR 13 0.140 14.173 -1.159
72 HE1 TYR 13 HE1 TYR 13 3.545 12.711 -4.395
73 HE2 TYR 13 HE2 TYR 13 1.921 15.723 -1.847
74 HH TYR 13 HH TYR 13 4.636 14.677 -3.745
75 H LYS 14 H LYS 14 -1.780 9.146 -3.113
76 HA LYS 14 HA LYS 14 -3.561 8.619 -0.996
77 HB2 LYS 14 1HB LYS 14 -5.081 9.888 -2.560
78 HB3 LYS 14 2HB LYS 14 -4.884 8.573 -3.711
79 HG2 LYS 14 1HG LYS 14 -5.648 7.130 -1.624
80 HG3 LYS 14 2HG LYS 14 -6.397 8.661 -1.164
81 HD2 LYS 14 1HD LYS 14 -7.344 8.693 -3.546
82 HD3 LYS 14 2HD LYS 14 -6.883 6.990 -3.614
83 HE2 LYS 14 1HE LYS 14 -9.025 6.778 -2.855
84 HE3 LYS 14 2HE LYS 14 -8.181 6.915 -1.314
85 HZ1 LYS 14 3HZ LYS 14 -10.138 8.344 -1.416
86 HZ2 LYS 14 1HZ LYS 14 -9.494 9.158 -2.753
87 HZ3 LYS 14 2HZ LYS 14 -8.724 9.257 -1.250
88 H CYS 15 H CYS 15 -3.828 6.434 -0.667
89 HA CYS 15 HA CYS 15 -2.034 4.708 -2.049
90 HB2 CYS 15 1HB CYS 15 -2.421 4.323 0.289
91 HB3 CYS 15 2HB CYS 15 -4.157 4.180 0.034
92 H SER 16 H SER 16 -2.393 3.228 -3.612
93 HA SER 16 HA SER 16 -5.097 3.154 -4.766
94 HB2 SER 16 1HB SER 16 -2.475 2.425 -6.091
95 HB3 SER 16 2HB SER 16 -4.050 2.553 -6.874
96 HG SER 16 HG SER 16 -4.035 4.785 -6.323
97 H ASP 17 H ASP 17 -4.502 1.561 -2.516
98 HA ASP 17 HA ASP 17 -4.796 -1.107 -3.707
99 HB2 ASP 17 1HB ASP 17 -2.828 -0.225 -1.655
100 HB3 ASP 17 2HB ASP 17 -3.566 -1.810 -1.443
101 H CYS 18 H CYS 18 -5.218 0.917 -0.830
102 HA CYS 18 HA CYS 18 -7.572 -0.713 -0.131
103 HB2 CYS 18 1HB CYS 18 -7.196 -0.082 2.213
104 HB3 CYS 18 2HB CYS 18 -5.801 -0.926 1.548
105 H GLY 19 H GLY 19 -6.187 2.560 0.021
106 HA2 GLY 19 1HA GLY 19 -7.651 4.306 -1.001
107 HA3 GLY 19 2HA GLY 19 -8.950 3.610 -0.043
108 H LYS 20 H LYS 20 -5.771 5.160 0.254
109 HA LYS 20 HA LYS 20 -6.775 6.579 2.615
110 HB2 LYS 20 1HB LYS 20 -5.437 4.673 3.419
111 HB3 LYS 20 2HB LYS 20 -4.074 5.227 2.454
112 HG2 LYS 20 1HG LYS 20 -3.703 7.077 3.817
113 HG3 LYS 20 2HG LYS 20 -5.315 6.992 4.530
114 HD2 LYS 20 1HD LYS 20 -4.688 4.882 5.636
115 HD3 LYS 20 2HD LYS 20 -3.066 5.023 4.956
116 HE2 LYS 20 1HE LYS 20 -3.085 5.807 7.250
117 HE3 LYS 20 2HE LYS 20 -2.769 7.149 6.151
118 HZ1 LYS 20 3HZ LYS 20 -4.545 7.293 8.090
119 HZ2 LYS 20 1HZ LYS 20 -5.550 6.666 6.882
120 HZ3 LYS 20 2HZ LYS 20 -4.736 8.127 6.631
121 H ALA 21 H ALA 21 -6.714 8.657 2.084
122 HA ALA 21 HA ALA 21 -4.922 9.678 0.086
123 HB1 ALA 21 3HB ALA 21 -5.982 11.864 0.628
124 HB2 ALA 21 1HB ALA 21 -7.132 10.597 0.200
125 HB3 ALA 21 2HB ALA 21 -6.908 11.052 1.890
126 H PHE 22 H PHE 22 -3.166 11.005 0.345
127 HA PHE 22 HA PHE 22 -2.266 11.507 3.102
128 HB2 PHE 22 1HB PHE 22 -0.510 10.636 0.797
129 HB3 PHE 22 2HB PHE 22 0.032 10.999 2.432
130 HD1 PHE 22 HD1 PHE 22 -1.826 8.620 0.341
131 HD2 PHE 22 HD2 PHE 22 -0.230 9.424 4.204
132 HE1 PHE 22 HE1 PHE 22 -2.186 6.270 0.976
133 HE2 PHE 22 HE2 PHE 22 -0.586 7.075 4.844
134 HZ PHE 22 HZ PHE 22 -1.565 5.494 3.229
135 H THR 23 H THR 23 -1.279 13.449 3.488
136 HA THR 23 HA THR 23 -1.827 15.571 1.676
137 HB THR 23 HB THR 23 -0.768 17.033 3.296
138 HG1 THR 23 HG1 THR 23 0.709 16.315 4.642
139 HG21 THR 23 3HG2 THR 23 -1.924 15.753 5.434
140 HG22 THR 23 1HG2 THR 23 -2.757 15.031 4.058
141 HG23 THR 23 2HG2 THR 23 -2.771 16.781 4.278
142 H ARG 24 H ARG 24 1.075 13.770 2.537
143 HA ARG 24 HA ARG 24 2.499 15.169 0.369
144 HB2 ARG 24 1HB ARG 24 3.804 13.981 2.818
145 HB3 ARG 24 2HB ARG 24 4.551 14.996 1.591
146 HG2 ARG 24 1HG ARG 24 2.263 16.066 3.171
147 HG3 ARG 24 2HG ARG 24 3.867 15.989 3.902
148 HD2 ARG 24 1HD ARG 24 3.141 17.386 1.329
149 HD3 ARG 24 2HD ARG 24 3.486 18.163 2.874
150 HE ARG 24 HE ARG 24 5.736 16.776 2.435
151 HH11 ARG 24 1HH1 ARG 24 3.882 18.903 0.396
152 HH12 ARG 24 2HH1 ARG 24 5.256 19.443 -0.512
153 HH21 ARG 24 1HH2 ARG 24 7.552 17.479 1.248
154 HH22 ARG 24 2HH2 ARG 24 7.343 18.631 -0.027
155 H LYS 25 H LYS 25 4.218 13.882 -0.656
156 HA LYS 25 HA LYS 25 3.297 11.453 -1.630
157 HB2 LYS 25 1HB LYS 25 5.237 13.082 -2.409
158 HB3 LYS 25 2HB LYS 25 6.240 11.940 -1.524
159 HG2 LYS 25 1HG LYS 25 4.289 10.998 -3.589
160 HG3 LYS 25 2HG LYS 25 5.891 11.584 -4.042
161 HD2 LYS 25 1HD LYS 25 6.963 9.885 -2.770
162 HD3 LYS 25 2HD LYS 25 5.448 9.424 -1.990
163 HE2 LYS 25 1HE LYS 25 5.801 7.773 -3.612
164 HE3 LYS 25 2HE LYS 25 4.618 8.859 -4.339
165 HZ1 LYS 25 3HZ LYS 25 6.178 9.726 -5.784
166 HZ2 LYS 25 1HZ LYS 25 6.619 8.093 -5.729
167 HZ3 LYS 25 2HZ LYS 25 7.497 9.236 -4.845
168 H SER 26 H SER 26 6.015 11.921 0.638
169 HA SER 26 HA SER 26 6.668 9.372 1.244
170 HB2 SER 26 1HB SER 26 6.392 11.707 3.144
171 HB3 SER 26 2HB SER 26 7.157 10.181 3.589
172 HG SER 26 HG SER 26 8.737 10.543 2.076
173 H GLY 27 H GLY 27 4.233 11.172 3.143
174 HA2 GLY 27 1HA GLY 27 3.252 9.329 4.808
175 HA3 GLY 27 2HA GLY 27 2.181 10.414 3.935
176 H LEU 28 H LEU 28 2.745 9.289 1.329
177 HA LEU 28 HA LEU 28 0.961 7.006 1.501
178 HB2 LEU 28 1HB LEU 28 0.304 8.413 -0.203
179 HB3 LEU 28 2HB LEU 28 1.960 8.769 -0.687
180 HG LEU 28 HG LEU 28 2.059 6.377 -1.550
181 HD11 LEU 28 1HD1 LEU 28 -0.884 6.436 -1.807
182 HD12 LEU 28 2HD1 LEU 28 -0.231 5.992 -0.231
183 HD13 LEU 28 3HD1 LEU 28 0.219 5.067 -1.663
184 HD21 LEU 28 3HD2 LEU 28 1.882 7.473 -3.470
185 HD22 LEU 28 1HD2 LEU 28 0.979 8.766 -2.680
186 HD23 LEU 28 2HD2 LEU 28 0.125 7.374 -3.346
187 H HIS 29 H HIS 29 4.241 7.731 0.394
188 HA HIS 29 HA HIS 29 4.931 5.318 -0.754
189 HB2 HIS 29 1HB HIS 29 6.279 7.568 -0.369
190 HB3 HIS 29 2HB HIS 29 6.936 6.672 0.997
191 HD2 HIS 29 HD2 HIS 29 6.341 5.258 -2.649
192 HE1 HIS 29 HE1 HIS 29 10.438 4.873 -1.619
193 HE2 HIS 29 HE2 HIS 29 8.690 4.465 -3.385
194 H ILE 30 H ILE 30 5.761 6.226 2.597
195 HA ILE 30 HA ILE 30 6.628 3.800 3.508
196 HB ILE 30 HB ILE 30 5.020 5.859 5.019
197 HG12 ILE 30 1HG1 ILE 30 7.500 6.125 5.959
198 HG13 ILE 30 2HG1 ILE 30 7.904 5.473 4.374
199 HG21 ILE 30 1HG2 ILE 30 5.739 4.833 7.055
200 HG22 ILE 30 2HG2 ILE 30 4.970 3.594 6.064
201 HG23 ILE 30 3HG2 ILE 30 6.729 3.666 6.178
202 HD11 ILE 30 3HD1 ILE 30 5.954 7.565 4.130
203 HD12 ILE 30 1HD1 ILE 30 7.360 8.124 5.036
204 HD13 ILE 30 2HD1 ILE 30 7.565 7.439 3.423
205 H HIS 31 H HIS 31 3.271 4.955 3.428
206 HA HIS 31 HA HIS 31 2.056 2.785 4.677
207 HB2 HIS 31 1HB HIS 31 0.854 4.852 4.194
208 HB3 HIS 31 2HB HIS 31 0.978 4.545 2.464
209 HD1 HIS 31 HD1 HIS 31 -0.629 3.039 5.552
210 HD2 HIS 31 HD2 HIS 31 -1.087 3.107 1.423
211 HE1 HIS 31 HE1 HIS 31 -2.789 1.835 5.095
212 H GLN 32 H GLN 32 2.672 3.314 1.213
213 HA GLN 32 HA GLN 32 1.519 1.059 0.157
214 HB2 GLN 32 1HB GLN 32 3.840 2.748 -0.618
215 HB3 GLN 32 2HB GLN 32 3.654 1.205 -1.441
216 HG2 GLN 32 1HG GLN 32 1.443 3.228 -1.250
217 HG3 GLN 32 2HG GLN 32 2.618 3.205 -2.564
218 HE21 GLN 32 1HE2 GLN 32 -0.392 2.571 -2.142
219 HE22 GLN 32 2HE2 GLN 32 -0.602 1.114 -3.045
220 H GLN 33 H GLN 33 4.279 1.265 2.195
221 HA GLN 33 HA GLN 33 5.257 -1.378 1.498
222 HB2 GLN 33 1HB GLN 33 6.147 0.628 3.573
223 HB3 GLN 33 2HB GLN 33 6.915 -0.935 3.327
224 HG2 GLN 33 1HG GLN 33 6.618 0.930 1.023
225 HG3 GLN 33 2HG GLN 33 7.886 1.210 2.216
226 HE21 GLN 33 1HE2 GLN 33 8.841 -1.162 2.835
227 HE22 GLN 33 2HE2 GLN 33 9.456 -1.994 1.451
228 H SER 34 H SER 34 2.614 -1.405 2.391
229 HA SER 34 HA SER 34 2.911 -2.876 4.923
230 HB2 SER 34 1HB SER 34 1.843 -0.779 5.484
231 HB3 SER 34 2HB SER 34 0.681 -0.972 4.171
232 HG SER 34 HG SER 34 0.911 -2.857 6.266
233 H HIS 35 H HIS 35 1.190 -2.458 1.890
234 HA HIS 35 HA HIS 35 -0.307 -4.922 2.263
235 HB2 HIS 35 1HB HIS 35 -0.227 -3.296 -0.267
236 HB3 HIS 35 2HB HIS 35 -1.515 -4.340 0.327
237 HD1 HIS 35 HD1 HIS 35 -2.802 -3.391 2.516
238 HD2 HIS 35 HD2 HIS 35 -0.523 -0.665 0.362
239 HE1 HIS 35 HE1 HIS 35 -3.611 -1.121 3.235
240 H THR 36 H THR 36 2.441 -5.334 2.292
241 HA THR 36 HA THR 36 2.712 -7.131 0.023
242 HB THR 36 HB THR 36 3.769 -5.092 -0.815
243 HG1 THR 36 HG1 THR 36 5.254 -7.392 -0.247
244 HG21 THR 36 3HG2 THR 36 4.407 -4.430 1.656
245 HG22 THR 36 1HG2 THR 36 5.378 -3.880 0.291
246 HG23 THR 36 2HG2 THR 36 5.910 -5.259 1.253
247 H GLY 37 H GLY 37 4.157 -8.842 0.379
248 HA2 GLY 37 1HA GLY 37 5.304 -8.974 3.097
249 HA3 GLY 37 2HA GLY 37 4.389 -10.315 2.426
250 H GLU 38 H GLU 38 6.699 -11.114 3.212
251 HA GLU 38 HA GLU 38 8.695 -10.811 1.111
252 HB2 GLU 38 1HB GLU 38 9.225 -10.812 3.611
253 HB3 GLU 38 2HB GLU 38 8.918 -12.542 3.568
254 HG2 GLU 38 1HG GLU 38 11.180 -12.508 3.293
255 HG3 GLU 38 2HG GLU 38 10.651 -12.498 1.611
256 H ARG 39 H ARG 39 8.323 -12.001 -0.651
257 HA ARG 39 HA ARG 39 6.813 -14.323 -0.828
258 HB2 ARG 39 1HB ARG 39 7.885 -12.735 -2.659
259 HB3 ARG 39 2HB ARG 39 9.137 -13.970 -2.666
260 HG2 ARG 39 1HG ARG 39 7.687 -14.624 -4.360
261 HG3 ARG 39 2HG ARG 39 7.224 -15.639 -2.994
262 HD2 ARG 39 1HD ARG 39 5.333 -14.259 -2.520
263 HD3 ARG 39 2HD ARG 39 5.860 -13.045 -3.685
264 HE ARG 39 HE ARG 39 4.408 -15.452 -4.237
265 HH11 ARG 39 1HH1 ARG 39 6.630 -13.114 -5.546
266 HH12 ARG 39 2HH1 ARG 39 6.183 -13.416 -7.192
267 HH21 ARG 39 1HH2 ARG 39 3.810 -15.859 -6.400
268 HH22 ARG 39 2HH2 ARG 39 4.578 -14.978 -7.677
269 H HIS 40 H HIS 40 7.266 -16.499 -0.791
270 HA HIS 40 HA HIS 40 9.668 -17.246 0.676
271 HB2 HIS 40 1HB HIS 40 8.566 -19.445 0.911
272 HB3 HIS 40 2HB HIS 40 7.544 -18.128 1.478
273 HD2 HIS 40 HD2 HIS 40 7.604 -20.843 -1.301
274 HE1 HIS 40 HE1 HIS 40 3.919 -18.756 -1.559
275 HE2 HIS 40 HE2 HIS 40 5.226 -20.772 -2.316
276 H SER 41 H SER 41 10.257 -16.427 -1.886
277 HA SER 41 HA SER 41 10.848 -18.951 -3.288
278 HB2 SER 41 1HB SER 41 9.450 -16.974 -4.369
279 HB3 SER 41 2HB SER 41 11.056 -16.314 -4.679
280 HG SER 41 HG SER 41 10.554 -17.566 -6.422
281 H GLY 42 H GLY 42 12.724 -19.308 -2.002
282 HA2 GLY 42 1HA GLY 42 15.021 -19.325 -1.805
283 HA3 GLY 42 2HA GLY 42 15.090 -18.171 -3.129
284 HA PRO 43 HA PRO 43 14.437 -15.439 0.784
285 HB2 PRO 43 1HB PRO 43 14.261 -16.696 3.183
286 HB3 PRO 43 2HB PRO 43 12.853 -16.361 2.169
287 HG2 PRO 43 1HG PRO 43 14.407 -18.901 2.472
288 HG3 PRO 43 2HG PRO 43 12.651 -18.666 2.393
289 HD2 PRO 43 1HD PRO 43 14.108 -19.491 0.265
290 HD3 PRO 43 2HD PRO 43 12.652 -18.490 0.095
291 H SER 44 H SER 44 15.772 -14.969 2.875
292 HA SER 44 HA SER 44 18.494 -15.261 2.227
293 HB2 SER 44 1HB SER 44 17.218 -13.515 3.754
294 HB3 SER 44 2HB SER 44 17.676 -14.639 5.034
295 HG SER 44 HG SER 44 19.866 -14.425 3.892
296 H SER 45 H SER 45 20.138 -16.477 3.154
297 HA SER 45 HA SER 45 19.404 -19.101 3.987
298 HB2 SER 45 1HB SER 45 21.881 -19.418 4.251
299 HB3 SER 45 2HB SER 45 21.398 -18.821 2.663
300 HG SER 45 HG SER 45 23.175 -17.756 4.189
301 H GLY 46 H GLY 46 21.091 -16.426 5.633
302 HA2 GLY 46 1HA GLY 46 21.172 -17.762 8.153
303 HA3 GLY 46 2HA GLY 46 21.506 -16.060 7.869
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -14.499 -2.865 0.646
2 HA2 GLY 1 1HA GLY 1 -12.177 -3.044 -0.871
3 HA3 GLY 1 2HA GLY 1 -13.511 -3.402 -1.957
4 H SER 2 H SER 2 -15.461 -1.713 -1.261
5 HA SER 2 HA SER 2 -14.296 0.880 -1.939
6 HB2 SER 2 1HB SER 2 -16.623 1.514 -2.522
7 HB3 SER 2 2HB SER 2 -16.081 0.081 -3.394
8 HG SER 2 HG SER 2 -18.258 0.090 -2.300
9 H SER 3 H SER 3 -16.515 -0.581 0.407
10 HA SER 3 HA SER 3 -17.444 1.457 1.867
11 HB2 SER 3 1HB SER 3 -17.493 -1.090 2.367
12 HB3 SER 3 2HB SER 3 -16.057 -0.770 3.339
13 HG SER 3 HG SER 3 -18.242 0.907 3.725
14 H GLY 4 H GLY 4 -16.767 2.848 3.503
15 HA2 GLY 4 1HA GLY 4 -14.502 3.041 4.927
16 HA3 GLY 4 2HA GLY 4 -13.964 3.590 3.346
17 H SER 5 H SER 5 -14.650 4.785 6.180
18 HA SER 5 HA SER 5 -16.030 7.153 5.095
19 HB2 SER 5 1HB SER 5 -16.194 6.107 7.932
20 HB3 SER 5 2HB SER 5 -17.031 7.521 7.292
21 HG SER 5 HG SER 5 -18.166 6.126 5.890
22 H SER 6 H SER 6 -13.273 6.872 4.948
23 HA SER 6 HA SER 6 -12.329 8.739 7.024
24 HB2 SER 6 1HB SER 6 -10.837 6.596 5.504
25 HB3 SER 6 2HB SER 6 -10.026 7.847 6.446
26 HG SER 6 HG SER 6 -10.297 6.064 7.754
27 H GLY 7 H GLY 7 -13.122 10.507 5.738
28 HA2 GLY 7 1HA GLY 7 -11.149 11.349 3.761
29 HA3 GLY 7 2HA GLY 7 -12.810 11.226 3.201
30 H THR 8 H THR 8 -10.747 12.792 5.614
31 HA THR 8 HA THR 8 -12.754 14.786 6.207
32 HB THR 8 HB THR 8 -10.949 15.810 7.617
33 HG1 THR 8 HG1 THR 8 -9.471 13.447 7.100
34 HG21 THR 8 3HG2 THR 8 -10.768 13.701 9.139
35 HG22 THR 8 1HG2 THR 8 -11.864 12.981 7.961
36 HG23 THR 8 2HG2 THR 8 -12.347 14.429 8.845
37 H GLY 9 H GLY 9 -12.065 14.733 3.476
38 HA2 GLY 9 1HA GLY 9 -12.062 17.051 2.414
39 HA3 GLY 9 2HA GLY 9 -10.479 17.200 3.161
40 H GLU 10 H GLU 10 -10.107 17.652 0.743
41 HA GLU 10 HA GLU 10 -9.719 15.157 -0.750
42 HB2 GLU 10 1HB GLU 10 -9.998 18.028 -1.527
43 HB3 GLU 10 2HB GLU 10 -9.099 16.952 -2.587
44 HG2 GLU 10 1HG GLU 10 -11.860 16.274 -1.641
45 HG3 GLU 10 2HG GLU 10 -11.585 17.298 -3.050
46 H LYS 11 H LYS 11 -7.733 14.481 -1.445
47 HA LYS 11 HA LYS 11 -5.404 16.087 -0.633
48 HB2 LYS 11 1HB LYS 11 -5.695 13.092 -0.330
49 HB3 LYS 11 2HB LYS 11 -4.252 14.025 0.045
50 HG2 LYS 11 1HG LYS 11 -5.952 15.329 1.603
51 HG3 LYS 11 2HG LYS 11 -6.800 13.783 1.538
52 HD2 LYS 11 1HD LYS 11 -4.852 12.626 2.362
53 HD3 LYS 11 2HD LYS 11 -3.896 14.108 2.289
54 HE2 LYS 11 1HE LYS 11 -4.558 13.712 4.568
55 HE3 LYS 11 2HE LYS 11 -5.423 15.121 3.955
56 HZ1 LYS 11 3HZ LYS 11 -6.868 12.696 3.520
57 HZ2 LYS 11 1HZ LYS 11 -7.366 14.124 4.279
58 HZ3 LYS 11 2HZ LYS 11 -6.539 12.941 5.161
59 HA PRO 12 HA PRO 12 -4.013 15.475 -4.763
60 HB2 PRO 12 1HB PRO 12 -1.355 15.890 -4.393
61 HB3 PRO 12 2HB PRO 12 -2.545 17.197 -4.366
62 HG2 PRO 12 1HG PRO 12 -1.265 15.753 -2.077
63 HG3 PRO 12 2HG PRO 12 -1.575 17.488 -2.272
64 HD2 PRO 12 1HD PRO 12 -3.161 15.884 -0.775
65 HD3 PRO 12 2HD PRO 12 -3.788 17.289 -1.660
66 H TYR 13 H TYR 13 -2.762 13.597 -2.113
67 HA TYR 13 HA TYR 13 -1.837 11.550 -4.022
68 HB2 TYR 13 1HB TYR 13 -0.904 11.836 -1.165
69 HB3 TYR 13 2HB TYR 13 -0.209 10.827 -2.429
70 HD1 TYR 13 HD1 TYR 13 0.586 12.187 -4.576
71 HD2 TYR 13 HD2 TYR 13 0.149 13.828 -0.675
72 HE1 TYR 13 HE1 TYR 13 2.144 13.996 -5.169
73 HE2 TYR 13 HE2 TYR 13 1.704 15.643 -1.258
74 HH TYR 13 HH TYR 13 3.780 15.590 -3.641
75 H LYS 14 H LYS 14 -2.369 9.396 -3.631
76 HA LYS 14 HA LYS 14 -3.862 8.568 -1.345
77 HB2 LYS 14 1HB LYS 14 -5.615 9.822 -2.552
78 HB3 LYS 14 2HB LYS 14 -5.359 8.803 -3.963
79 HG2 LYS 14 1HG LYS 14 -5.864 6.873 -2.248
80 HG3 LYS 14 2HG LYS 14 -6.684 8.173 -1.379
81 HD2 LYS 14 1HD LYS 14 -7.208 7.858 -4.294
82 HD3 LYS 14 2HD LYS 14 -7.946 6.708 -3.176
83 HE2 LYS 14 1HE LYS 14 -8.942 8.562 -1.930
84 HE3 LYS 14 2HE LYS 14 -8.197 9.712 -3.039
85 HZ1 LYS 14 3HZ LYS 14 -9.934 7.606 -4.122
86 HZ2 LYS 14 1HZ LYS 14 -9.626 9.159 -4.720
87 HZ3 LYS 14 2HZ LYS 14 -10.644 8.953 -3.385
88 H CYS 15 H CYS 15 -3.711 6.411 -1.093
89 HA CYS 15 HA CYS 15 -2.073 4.909 -2.849
90 HB2 CYS 15 1HB CYS 15 -2.034 4.349 -0.529
91 HB3 CYS 15 2HB CYS 15 -3.780 4.125 -0.488
92 H SER 16 H SER 16 -2.557 3.598 -4.503
93 HA SER 16 HA SER 16 -5.358 3.409 -5.309
94 HB2 SER 16 1HB SER 16 -3.620 4.198 -6.932
95 HB3 SER 16 2HB SER 16 -2.889 2.594 -6.860
96 HG SER 16 HG SER 16 -4.263 2.597 -8.592
97 H ASP 17 H ASP 17 -4.545 1.833 -3.096
98 HA ASP 17 HA ASP 17 -4.887 -0.861 -4.234
99 HB2 ASP 17 1HB ASP 17 -2.585 -0.317 -3.184
100 HB3 ASP 17 2HB ASP 17 -3.436 -0.387 -1.643
101 H CYS 18 H CYS 18 -5.303 1.134 -1.320
102 HA CYS 18 HA CYS 18 -7.670 -0.490 -0.650
103 HB2 CYS 18 1HB CYS 18 -7.324 0.366 1.689
104 HB3 CYS 18 2HB CYS 18 -6.047 -0.692 1.100
105 H GLY 19 H GLY 19 -6.360 2.817 -0.557
106 HA2 GLY 19 1HA GLY 19 -7.841 4.511 -1.636
107 HA3 GLY 19 2HA GLY 19 -9.143 3.802 -0.692
108 H LYS 20 H LYS 20 -5.824 4.822 0.105
109 HA LYS 20 HA LYS 20 -6.968 6.460 2.271
110 HB2 LYS 20 1HB LYS 20 -4.564 4.706 2.137
111 HB3 LYS 20 2HB LYS 20 -4.460 6.161 3.120
112 HG2 LYS 20 1HG LYS 20 -6.064 5.432 4.610
113 HG3 LYS 20 2HG LYS 20 -6.770 4.300 3.455
114 HD2 LYS 20 1HD LYS 20 -4.388 3.181 3.616
115 HD3 LYS 20 2HD LYS 20 -4.353 4.010 5.173
116 HE2 LYS 20 1HE LYS 20 -6.591 2.950 5.650
117 HE3 LYS 20 2HE LYS 20 -6.344 1.968 4.208
118 HZ1 LYS 20 3HZ LYS 20 -4.823 1.938 6.737
119 HZ2 LYS 20 1HZ LYS 20 -4.145 1.333 5.310
120 HZ3 LYS 20 2HZ LYS 20 -5.562 0.648 5.929
121 H ALA 21 H ALA 21 -6.781 8.574 1.994
122 HA ALA 21 HA ALA 21 -4.944 9.626 0.003
123 HB1 ALA 21 3HB ALA 21 -7.459 10.434 1.110
124 HB2 ALA 21 1HB ALA 21 -6.288 11.744 1.271
125 HB3 ALA 21 2HB ALA 21 -6.619 11.046 -0.315
126 H PHE 22 H PHE 22 -3.150 10.802 0.404
127 HA PHE 22 HA PHE 22 -2.493 11.343 3.226
128 HB2 PHE 22 1HB PHE 22 -0.497 10.719 1.046
129 HB3 PHE 22 2HB PHE 22 -0.187 10.851 2.774
130 HD1 PHE 22 HD1 PHE 22 -1.568 8.755 0.115
131 HD2 PHE 22 HD2 PHE 22 -0.754 9.058 4.282
132 HE1 PHE 22 HE1 PHE 22 -1.943 6.336 0.361
133 HE2 PHE 22 HE2 PHE 22 -1.127 6.640 4.535
134 HZ PHE 22 HZ PHE 22 -1.722 5.275 2.573
135 H THR 23 H THR 23 -0.947 13.129 3.550
136 HA THR 23 HA THR 23 -1.642 15.362 1.809
137 HB THR 23 HB THR 23 -0.787 16.808 3.545
138 HG1 THR 23 HG1 THR 23 0.195 14.381 4.643
139 HG21 THR 23 3HG2 THR 23 -2.072 15.338 5.536
140 HG22 THR 23 1HG2 THR 23 -2.818 14.807 4.029
141 HG23 THR 23 2HG2 THR 23 -2.807 16.519 4.452
142 H ARG 24 H ARG 24 1.234 13.716 3.066
143 HA ARG 24 HA ARG 24 2.869 15.210 1.129
144 HB2 ARG 24 1HB ARG 24 3.878 13.606 3.478
145 HB3 ARG 24 2HB ARG 24 4.771 14.769 2.506
146 HG2 ARG 24 1HG ARG 24 3.579 16.594 3.432
147 HG3 ARG 24 2HG ARG 24 2.402 15.522 4.193
148 HD2 ARG 24 1HD ARG 24 3.920 14.810 5.813
149 HD3 ARG 24 2HD ARG 24 5.314 15.341 4.873
150 HE ARG 24 HE ARG 24 4.001 17.649 5.399
151 HH11 ARG 24 1HH1 ARG 24 5.122 15.020 7.388
152 HH12 ARG 24 2HH1 ARG 24 5.389 16.016 8.780
153 HH21 ARG 24 1HH2 ARG 24 4.348 18.970 7.225
154 HH22 ARG 24 2HH2 ARG 24 4.948 18.262 8.687
155 H LYS 25 H LYS 25 4.519 14.052 -0.036
156 HA LYS 25 HA LYS 25 3.608 11.746 -1.308
157 HB2 LYS 25 1HB LYS 25 6.373 12.939 -1.105
158 HB3 LYS 25 2HB LYS 25 6.005 11.553 -2.124
159 HG2 LYS 25 1HG LYS 25 4.398 14.049 -2.408
160 HG3 LYS 25 2HG LYS 25 6.011 13.959 -3.119
161 HD2 LYS 25 1HD LYS 25 4.044 11.759 -3.604
162 HD3 LYS 25 2HD LYS 25 3.926 13.262 -4.523
163 HE2 LYS 25 1HE LYS 25 6.293 12.977 -5.199
164 HE3 LYS 25 2HE LYS 25 6.312 11.423 -4.366
165 HZ1 LYS 25 3HZ LYS 25 5.919 11.132 -6.721
166 HZ2 LYS 25 1HZ LYS 25 4.567 12.147 -6.658
167 HZ3 LYS 25 2HZ LYS 25 4.549 10.663 -5.847
168 H SER 26 H SER 26 6.227 12.047 1.095
169 HA SER 26 HA SER 26 6.985 9.440 1.350
170 HB2 SER 26 1HB SER 26 6.809 11.695 3.308
171 HB3 SER 26 2HB SER 26 7.227 10.087 3.900
172 HG SER 26 HG SER 26 9.156 10.836 3.349
173 H GLY 27 H GLY 27 4.306 11.000 3.106
174 HA2 GLY 27 1HA GLY 27 3.401 9.029 4.718
175 HA3 GLY 27 2HA GLY 27 2.309 10.076 3.824
176 H LEU 28 H LEU 28 2.672 9.244 1.243
177 HA LEU 28 HA LEU 28 1.186 6.796 1.240
178 HB2 LEU 28 1HB LEU 28 0.539 8.328 -0.397
179 HB3 LEU 28 2HB LEU 28 2.202 8.651 -0.882
180 HG LEU 28 HG LEU 28 2.316 6.430 -1.927
181 HD11 LEU 28 1HD1 LEU 28 0.686 5.309 -0.466
182 HD12 LEU 28 2HD1 LEU 28 0.328 5.073 -2.176
183 HD13 LEU 28 3HD1 LEU 28 -0.611 6.228 -1.231
184 HD21 LEU 28 3HD2 LEU 28 0.831 8.674 -2.798
185 HD22 LEU 28 1HD2 LEU 28 -0.034 7.229 -3.323
186 HD23 LEU 28 2HD2 LEU 28 1.655 7.459 -3.776
187 H HIS 29 H HIS 29 4.424 7.763 0.157
188 HA HIS 29 HA HIS 29 5.276 5.422 -1.016
189 HB2 HIS 29 1HB HIS 29 6.771 7.475 0.608
190 HB3 HIS 29 2HB HIS 29 7.589 6.115 -0.156
191 HD2 HIS 29 HD2 HIS 29 6.277 6.179 -3.101
192 HE1 HIS 29 HE1 HIS 29 7.402 10.269 -3.148
193 HE2 HIS 29 HE2 HIS 29 6.631 8.307 -4.527
194 H ILE 30 H ILE 30 5.394 6.291 2.426
195 HA ILE 30 HA ILE 30 6.605 3.873 3.275
196 HB ILE 30 HB ILE 30 4.893 5.776 4.879
197 HG12 ILE 30 1HG1 ILE 30 7.906 5.675 4.720
198 HG13 ILE 30 2HG1 ILE 30 6.934 6.748 3.719
199 HG21 ILE 30 1HG2 ILE 30 7.040 4.074 6.046
200 HG22 ILE 30 2HG2 ILE 30 5.583 4.724 6.796
201 HG23 ILE 30 3HG2 ILE 30 5.471 3.351 5.695
202 HD11 ILE 30 3HD1 ILE 30 6.075 7.849 5.695
203 HD12 ILE 30 1HD1 ILE 30 6.976 6.740 6.728
204 HD13 ILE 30 2HD1 ILE 30 7.838 7.875 5.689
205 H HIS 31 H HIS 31 3.258 5.002 3.799
206 HA HIS 31 HA HIS 31 2.079 2.818 4.828
207 HB2 HIS 31 1HB HIS 31 0.625 4.597 4.492
208 HB3 HIS 31 2HB HIS 31 1.096 4.797 2.807
209 HD1 HIS 31 HD1 HIS 31 -0.882 2.394 4.977
210 HD2 HIS 31 HD2 HIS 31 -0.596 3.632 1.022
211 HE1 HIS 31 HE1 HIS 31 -2.789 1.273 3.782
212 H GLN 32 H GLN 32 2.817 3.268 1.391
213 HA GLN 32 HA GLN 32 1.633 1.124 0.226
214 HB2 GLN 32 1HB GLN 32 4.279 2.437 -0.237
215 HB3 GLN 32 2HB GLN 32 3.877 0.984 -1.143
216 HG2 GLN 32 1HG GLN 32 2.492 3.642 -1.172
217 HG3 GLN 32 2HG GLN 32 3.251 2.781 -2.509
218 HE21 GLN 32 1HE2 GLN 32 2.125 1.226 -3.590
219 HE22 GLN 32 2HE2 GLN 32 0.451 0.899 -3.320
220 H GLN 33 H GLN 33 4.691 1.066 2.025
221 HA GLN 33 HA GLN 33 5.483 -1.527 1.638
222 HB2 GLN 33 1HB GLN 33 6.735 -1.361 3.639
223 HB3 GLN 33 2HB GLN 33 6.639 0.275 2.999
224 HG2 GLN 33 1HG GLN 33 6.170 0.690 5.179
225 HG3 GLN 33 2HG GLN 33 4.537 0.406 4.577
226 HE21 GLN 33 1HE2 GLN 33 7.285 -1.504 5.769
227 HE22 GLN 33 2HE2 GLN 33 6.347 -2.524 6.801
228 H SER 34 H SER 34 2.969 -0.335 3.798
229 HA SER 34 HA SER 34 2.465 -2.553 5.342
230 HB2 SER 34 1HB SER 34 0.284 -1.680 5.718
231 HB3 SER 34 2HB SER 34 1.315 -0.279 5.429
232 HG SER 34 HG SER 34 -0.283 -1.542 3.452
233 H HIS 35 H HIS 35 1.521 -1.952 2.007
234 HA HIS 35 HA HIS 35 -0.120 -4.295 1.805
235 HB2 HIS 35 1HB HIS 35 1.018 -2.419 -0.271
236 HB3 HIS 35 2HB HIS 35 -0.026 -3.781 -0.667
237 HD1 HIS 35 HD1 HIS 35 -2.425 -3.669 0.780
238 HD2 HIS 35 HD2 HIS 35 -0.367 -0.131 0.065
239 HE1 HIS 35 HE1 HIS 35 -4.117 -1.834 1.083
240 H THR 36 H THR 36 1.865 -5.477 2.846
241 HA THR 36 HA THR 36 3.292 -6.791 0.636
242 HB THR 36 HB THR 36 5.259 -7.069 2.190
243 HG1 THR 36 HG1 THR 36 4.266 -4.845 3.612
244 HG21 THR 36 3HG2 THR 36 4.387 -4.588 0.863
245 HG22 THR 36 1HG2 THR 36 5.871 -5.519 0.664
246 HG23 THR 36 2HG2 THR 36 5.706 -4.401 2.018
247 H GLY 37 H GLY 37 1.633 -8.411 0.807
248 HA2 GLY 37 1HA GLY 37 1.172 -10.610 1.396
249 HA3 GLY 37 2HA GLY 37 2.345 -10.476 2.698
250 H GLU 38 H GLU 38 -0.958 -10.408 1.845
251 HA GLU 38 HA GLU 38 -1.713 -9.451 4.520
252 HB2 GLU 38 1HB GLU 38 -3.976 -9.174 3.590
253 HB3 GLU 38 2HB GLU 38 -2.779 -8.251 2.692
254 HG2 GLU 38 1HG GLU 38 -2.738 -10.404 1.183
255 HG3 GLU 38 2HG GLU 38 -4.344 -10.637 1.871
256 H ARG 39 H ARG 39 -2.996 -10.676 5.872
257 HA ARG 39 HA ARG 39 -3.701 -12.590 6.884
258 HB2 ARG 39 1HB ARG 39 -4.656 -12.938 4.059
259 HB3 ARG 39 2HB ARG 39 -4.927 -14.200 5.253
260 HG2 ARG 39 1HG ARG 39 -5.780 -11.353 5.683
261 HG3 ARG 39 2HG ARG 39 -6.808 -12.557 4.904
262 HD2 ARG 39 1HD ARG 39 -5.619 -12.808 7.665
263 HD3 ARG 39 2HD ARG 39 -7.274 -12.313 7.316
264 HE ARG 39 HE ARG 39 -6.491 -14.871 6.215
265 HH11 ARG 39 1HH1 ARG 39 -7.943 -13.166 8.880
266 HH12 ARG 39 2HH1 ARG 39 -8.810 -14.549 9.462
267 HH21 ARG 39 1HH2 ARG 39 -7.627 -16.699 6.971
268 HH22 ARG 39 2HH2 ARG 39 -8.629 -16.558 8.376
269 H HIS 40 H HIS 40 -0.990 -12.579 6.254
270 HA HIS 40 HA HIS 40 -0.509 -15.404 5.567
271 HB2 HIS 40 1HB HIS 40 1.137 -12.946 5.002
272 HB3 HIS 40 2HB HIS 40 1.851 -14.556 4.991
273 HD2 HIS 40 HD2 HIS 40 -0.035 -16.283 3.195
274 HE1 HIS 40 HE1 HIS 40 -0.115 -13.043 0.457
275 HE2 HIS 40 HE2 HIS 40 -0.635 -15.482 0.809
276 H SER 41 H SER 41 -1.200 -14.670 8.154
277 HA SER 41 HA SER 41 1.159 -14.287 9.750
278 HB2 SER 41 1HB SER 41 -1.330 -13.655 10.282
279 HB3 SER 41 2HB SER 41 -1.426 -15.313 10.873
280 HG SER 41 HG SER 41 -0.778 -14.180 12.608
281 H GLY 42 H GLY 42 2.613 -15.837 10.042
282 HA2 GLY 42 1HA GLY 42 1.670 -18.541 10.683
283 HA3 GLY 42 2HA GLY 42 2.820 -18.349 9.368
284 HA PRO 43 HA PRO 43 5.282 -19.114 13.184
285 HB2 PRO 43 1HB PRO 43 7.097 -20.713 11.952
286 HB3 PRO 43 2HB PRO 43 5.563 -21.316 12.591
287 HG2 PRO 43 1HG PRO 43 6.293 -20.601 9.777
288 HG3 PRO 43 2HG PRO 43 5.374 -21.995 10.375
289 HD2 PRO 43 1HD PRO 43 4.180 -19.815 9.299
290 HD3 PRO 43 2HD PRO 43 3.427 -20.779 10.585
291 H SER 44 H SER 44 7.649 -18.755 13.522
292 HA SER 44 HA SER 44 8.444 -16.274 12.501
293 HB2 SER 44 1HB SER 44 10.025 -18.432 13.911
294 HB3 SER 44 2HB SER 44 10.677 -16.836 13.539
295 HG SER 44 HG SER 44 9.729 -16.173 15.279
296 H SER 45 H SER 45 9.408 -15.694 10.673
297 HA SER 45 HA SER 45 11.012 -17.666 9.207
298 HB2 SER 45 1HB SER 45 8.843 -17.731 8.131
299 HB3 SER 45 2HB SER 45 8.799 -15.971 8.026
300 HG SER 45 HG SER 45 9.730 -17.613 6.234
301 H GLY 46 H GLY 46 12.975 -16.840 8.976
302 HA2 GLY 46 1HA GLY 46 13.479 -14.372 7.704
303 HA3 GLY 46 2HA GLY 46 13.674 -14.173 9.439
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -0.802 13.463 14.361
2 HA2 GLY 1 1HA GLY 1 -2.477 15.582 15.280
3 HA3 GLY 1 2HA GLY 1 -1.969 15.849 13.620
4 H SER 2 H SER 2 -4.556 15.002 15.144
5 HA SER 2 HA SER 2 -5.190 12.505 13.814
6 HB2 SER 2 1HB SER 2 -5.980 13.149 16.155
7 HB3 SER 2 2HB SER 2 -7.104 14.253 15.362
8 HG SER 2 HG SER 2 -6.966 11.434 15.083
9 H SER 3 H SER 3 -7.266 12.340 12.582
10 HA SER 3 HA SER 3 -7.360 14.497 10.615
11 HB2 SER 3 1HB SER 3 -8.601 12.878 9.220
12 HB3 SER 3 2HB SER 3 -7.057 12.222 9.763
13 HG SER 3 HG SER 3 -8.080 10.744 10.860
14 H GLY 4 H GLY 4 -8.844 16.029 10.822
15 HA2 GLY 4 1HA GLY 4 -11.605 15.438 11.181
16 HA3 GLY 4 2HA GLY 4 -10.912 16.087 12.660
17 H SER 5 H SER 5 -10.824 16.799 9.164
18 HA SER 5 HA SER 5 -11.681 19.526 9.722
19 HB2 SER 5 1HB SER 5 -9.051 18.846 8.395
20 HB3 SER 5 2HB SER 5 -9.813 20.432 8.279
21 HG SER 5 HG SER 5 -9.468 19.322 10.818
22 H SER 6 H SER 6 -12.734 20.503 8.025
23 HA SER 6 HA SER 6 -13.275 18.760 5.720
24 HB2 SER 6 1HB SER 6 -15.385 19.919 5.481
25 HB3 SER 6 2HB SER 6 -15.211 19.417 7.163
26 HG SER 6 HG SER 6 -15.850 21.738 6.520
27 H GLY 7 H GLY 7 -12.349 22.021 6.659
28 HA2 GLY 7 1HA GLY 7 -12.289 22.990 3.940
29 HA3 GLY 7 2HA GLY 7 -11.744 23.853 5.371
30 H THR 8 H THR 8 -10.778 20.788 3.830
31 HA THR 8 HA THR 8 -8.019 21.826 3.750
32 HB THR 8 HB THR 8 -7.273 19.440 3.984
33 HG1 THR 8 HG1 THR 8 -8.780 17.966 3.929
34 HG21 THR 8 3HG2 THR 8 -7.430 19.413 6.355
35 HG22 THR 8 1HG2 THR 8 -8.923 20.351 6.336
36 HG23 THR 8 2HG2 THR 8 -7.398 21.110 5.879
37 H GLY 9 H GLY 9 -10.573 20.141 2.101
38 HA2 GLY 9 1HA GLY 9 -10.839 19.956 -0.209
39 HA3 GLY 9 2HA GLY 9 -9.177 20.488 -0.418
40 H GLU 10 H GLU 10 -9.605 18.623 -2.069
41 HA GLU 10 HA GLU 10 -9.407 15.963 -0.999
42 HB2 GLU 10 1HB GLU 10 -10.535 16.495 -3.160
43 HB3 GLU 10 2HB GLU 10 -8.965 16.898 -3.838
44 HG2 GLU 10 1HG GLU 10 -9.599 14.677 -4.505
45 HG3 GLU 10 2HG GLU 10 -8.210 14.601 -3.422
46 H LYS 11 H LYS 11 -7.630 14.724 -0.730
47 HA LYS 11 HA LYS 11 -5.099 15.956 -0.500
48 HB2 LYS 11 1HB LYS 11 -5.941 13.057 -0.484
49 HB3 LYS 11 2HB LYS 11 -4.286 13.576 -0.193
50 HG2 LYS 11 1HG LYS 11 -6.505 14.724 1.438
51 HG3 LYS 11 2HG LYS 11 -5.878 13.116 1.805
52 HD2 LYS 11 1HD LYS 11 -3.811 13.916 2.427
53 HD3 LYS 11 2HD LYS 11 -3.958 15.369 1.434
54 HE2 LYS 11 1HE LYS 11 -5.226 16.476 3.006
55 HE3 LYS 11 2HE LYS 11 -5.815 14.984 3.737
56 HZ1 LYS 11 3HZ LYS 11 -3.521 16.543 4.408
57 HZ2 LYS 11 1HZ LYS 11 -3.111 14.924 4.135
58 HZ3 LYS 11 2HZ LYS 11 -4.282 15.317 5.290
59 HA PRO 12 HA PRO 12 -3.478 15.648 -4.578
60 HB2 PRO 12 1HB PRO 12 -0.825 15.560 -4.006
61 HB3 PRO 12 2HB PRO 12 -1.792 17.032 -3.857
62 HG2 PRO 12 1HG PRO 12 -0.938 15.103 -1.733
63 HG3 PRO 12 2HG PRO 12 -0.954 16.876 -1.693
64 HD2 PRO 12 1HD PRO 12 -2.885 15.376 -0.531
65 HD3 PRO 12 2HD PRO 12 -3.211 16.971 -1.239
66 H TYR 13 H TYR 13 -2.624 13.279 -2.146
67 HA TYR 13 HA TYR 13 -2.061 11.341 -4.295
68 HB2 TYR 13 1HB TYR 13 -0.936 11.257 -1.491
69 HB3 TYR 13 2HB TYR 13 -0.514 10.202 -2.835
70 HD1 TYR 13 HD1 TYR 13 0.715 11.173 -4.804
71 HD2 TYR 13 HD2 TYR 13 0.150 13.333 -1.182
72 HE1 TYR 13 HE1 TYR 13 2.534 12.703 -5.439
73 HE2 TYR 13 HE2 TYR 13 1.967 14.869 -1.807
74 HH TYR 13 HH TYR 13 3.296 14.964 -4.942
75 H LYS 14 H LYS 14 -2.533 9.066 -3.683
76 HA LYS 14 HA LYS 14 -4.274 8.478 -1.517
77 HB2 LYS 14 1HB LYS 14 -5.955 9.649 -2.739
78 HB3 LYS 14 2HB LYS 14 -5.494 8.871 -4.248
79 HG2 LYS 14 1HG LYS 14 -7.398 7.718 -3.701
80 HG3 LYS 14 2HG LYS 14 -6.154 6.682 -2.998
81 HD2 LYS 14 1HD LYS 14 -7.713 6.845 -1.286
82 HD3 LYS 14 2HD LYS 14 -6.534 8.087 -0.856
83 HE2 LYS 14 1HE LYS 14 -8.555 9.187 -0.584
84 HE3 LYS 14 2HE LYS 14 -8.068 9.671 -2.207
85 HZ1 LYS 14 3HZ LYS 14 -10.251 7.927 -1.365
86 HZ2 LYS 14 1HZ LYS 14 -9.465 7.530 -2.809
87 HZ3 LYS 14 2HZ LYS 14 -10.189 9.048 -2.630
88 H CYS 15 H CYS 15 -4.292 6.332 -1.137
89 HA CYS 15 HA CYS 15 -2.737 4.641 -2.888
90 HB2 CYS 15 1HB CYS 15 -2.248 4.198 -0.661
91 HB3 CYS 15 2HB CYS 15 -3.926 4.355 -0.155
92 H SER 16 H SER 16 -3.577 3.537 -4.516
93 HA SER 16 HA SER 16 -6.443 3.133 -4.692
94 HB2 SER 16 1HB SER 16 -4.174 2.570 -6.608
95 HB3 SER 16 2HB SER 16 -5.857 2.174 -6.957
96 HG SER 16 HG SER 16 -6.337 4.407 -6.689
97 H ASP 17 H ASP 17 -5.332 1.703 -2.589
98 HA ASP 17 HA ASP 17 -5.623 -1.067 -3.549
99 HB2 ASP 17 1HB ASP 17 -4.017 -0.384 -1.103
100 HB3 ASP 17 2HB ASP 17 -3.959 -1.839 -2.094
101 H CYS 18 H CYS 18 -5.852 0.990 -0.648
102 HA CYS 18 HA CYS 18 -8.213 -0.582 0.155
103 HB2 CYS 18 1HB CYS 18 -7.602 -0.074 2.511
104 HB3 CYS 18 2HB CYS 18 -6.398 -1.059 1.686
105 H GLY 19 H GLY 19 -6.614 2.585 0.409
106 HA2 GLY 19 1HA GLY 19 -8.236 4.392 -0.425
107 HA3 GLY 19 2HA GLY 19 -9.255 3.803 0.881
108 H LYS 20 H LYS 20 -5.750 4.359 0.785
109 HA LYS 20 HA LYS 20 -6.055 6.095 3.136
110 HB2 LYS 20 1HB LYS 20 -4.513 3.957 2.997
111 HB3 LYS 20 2HB LYS 20 -3.401 5.074 2.215
112 HG2 LYS 20 1HG LYS 20 -2.730 5.275 4.384
113 HG3 LYS 20 2HG LYS 20 -3.932 6.566 4.310
114 HD2 LYS 20 1HD LYS 20 -5.559 5.239 5.406
115 HD3 LYS 20 2HD LYS 20 -4.601 3.770 5.204
116 HE2 LYS 20 1HE LYS 20 -3.072 4.399 6.848
117 HE3 LYS 20 2HE LYS 20 -3.538 6.097 6.765
118 HZ1 LYS 20 3HZ LYS 20 -5.576 5.622 7.862
119 HZ2 LYS 20 1HZ LYS 20 -4.346 4.896 8.769
120 HZ3 LYS 20 2HZ LYS 20 -5.326 3.951 7.765
121 H ALA 21 H ALA 21 -5.960 8.205 2.788
122 HA ALA 21 HA ALA 21 -4.596 9.207 0.396
123 HB1 ALA 21 3HB ALA 21 -6.224 10.952 2.185
124 HB2 ALA 21 1HB ALA 21 -5.983 11.040 0.440
125 HB3 ALA 21 2HB ALA 21 -7.035 9.800 1.124
126 H PHE 22 H PHE 22 -3.283 11.154 0.566
127 HA PHE 22 HA PHE 22 -2.220 11.832 3.175
128 HB2 PHE 22 1HB PHE 22 -0.242 10.960 1.087
129 HB3 PHE 22 2HB PHE 22 0.000 11.165 2.819
130 HD1 PHE 22 HD1 PHE 22 -1.541 9.010 0.251
131 HD2 PHE 22 HD2 PHE 22 -0.375 9.390 4.327
132 HE1 PHE 22 HE1 PHE 22 -1.935 6.605 0.584
133 HE2 PHE 22 HE2 PHE 22 -0.767 6.985 4.667
134 HZ PHE 22 HZ PHE 22 -1.548 5.589 2.794
135 H THR 23 H THR 23 -0.704 13.661 3.072
136 HA THR 23 HA THR 23 -1.453 15.464 0.887
137 HB THR 23 HB THR 23 -1.837 16.184 3.255
138 HG1 THR 23 HG1 THR 23 -1.497 17.694 1.498
139 HG21 THR 23 3HG2 THR 23 -0.214 16.202 4.795
140 HG22 THR 23 1HG2 THR 23 0.923 16.985 3.699
141 HG23 THR 23 2HG2 THR 23 0.729 15.233 3.664
142 H ARG 24 H ARG 24 1.226 13.729 2.171
143 HA ARG 24 HA ARG 24 3.005 15.090 0.257
144 HB2 ARG 24 1HB ARG 24 3.725 13.979 2.976
145 HB3 ARG 24 2HB ARG 24 4.881 14.600 1.806
146 HG2 ARG 24 1HG ARG 24 2.643 16.360 2.665
147 HG3 ARG 24 2HG ARG 24 3.992 16.092 3.771
148 HD2 ARG 24 1HD ARG 24 5.424 16.636 1.635
149 HD3 ARG 24 2HD ARG 24 3.945 17.442 1.114
150 HE ARG 24 HE ARG 24 4.505 19.138 2.518
151 HH11 ARG 24 1HH1 ARG 24 5.896 16.198 3.759
152 HH12 ARG 24 2HH1 ARG 24 6.662 16.975 5.105
153 HH21 ARG 24 1HH2 ARG 24 5.508 20.172 4.286
154 HH22 ARG 24 2HH2 ARG 24 6.440 19.235 5.404
155 H LYS 25 H LYS 25 4.779 13.745 -0.551
156 HA LYS 25 HA LYS 25 3.886 11.306 -1.577
157 HB2 LYS 25 1HB LYS 25 6.583 12.606 -1.386
158 HB3 LYS 25 2HB LYS 25 6.435 10.972 -2.018
159 HG2 LYS 25 1HG LYS 25 4.708 13.124 -3.141
160 HG3 LYS 25 2HG LYS 25 6.405 13.031 -3.621
161 HD2 LYS 25 1HD LYS 25 5.863 10.516 -4.038
162 HD3 LYS 25 2HD LYS 25 4.190 11.075 -4.087
163 HE2 LYS 25 1HE LYS 25 4.499 12.257 -6.019
164 HE3 LYS 25 2HE LYS 25 6.204 12.560 -5.689
165 HZ1 LYS 25 3HZ LYS 25 5.241 10.729 -7.438
166 HZ2 LYS 25 1HZ LYS 25 5.602 9.781 -6.084
167 HZ3 LYS 25 2HZ LYS 25 6.804 10.736 -6.792
168 H SER 26 H SER 26 6.341 11.879 0.947
169 HA SER 26 HA SER 26 6.955 9.300 1.619
170 HB2 SER 26 1HB SER 26 6.642 11.693 3.442
171 HB3 SER 26 2HB SER 26 7.382 10.172 3.940
172 HG SER 26 HG SER 26 8.324 11.395 1.611
173 H GLY 27 H GLY 27 4.370 11.246 3.128
174 HA2 GLY 27 1HA GLY 27 3.293 9.459 4.869
175 HA3 GLY 27 2HA GLY 27 2.313 10.582 3.939
176 H LEU 28 H LEU 28 3.177 9.261 1.399
177 HA LEU 28 HA LEU 28 1.201 7.113 1.489
178 HB2 LEU 28 1HB LEU 28 0.711 8.516 -0.276
179 HB3 LEU 28 2HB LEU 28 2.408 8.787 -0.666
180 HG LEU 28 HG LEU 28 2.441 6.368 -1.470
181 HD11 LEU 28 1HD1 LEU 28 -0.531 6.714 -1.674
182 HD12 LEU 28 2HD1 LEU 28 0.217 5.894 -0.304
183 HD13 LEU 28 3HD1 LEU 28 0.436 5.262 -1.936
184 HD21 LEU 28 3HD2 LEU 28 1.099 7.077 -3.592
185 HD22 LEU 28 1HD2 LEU 28 2.590 7.917 -3.166
186 HD23 LEU 28 2HD2 LEU 28 1.029 8.645 -2.786
187 H HIS 29 H HIS 29 4.541 7.677 0.423
188 HA HIS 29 HA HIS 29 5.190 5.207 -0.579
189 HB2 HIS 29 1HB HIS 29 6.751 7.305 0.864
190 HB3 HIS 29 2HB HIS 29 7.519 5.751 0.556
191 HD2 HIS 29 HD2 HIS 29 6.310 5.364 -2.526
192 HE1 HIS 29 HE1 HIS 29 8.404 8.981 -3.250
193 HE2 HIS 29 HE2 HIS 29 7.247 7.003 -4.294
194 H ILE 30 H ILE 30 5.405 6.230 2.824
195 HA ILE 30 HA ILE 30 6.330 3.814 3.874
196 HB ILE 30 HB ILE 30 4.597 5.921 5.167
197 HG12 ILE 30 1HG1 ILE 30 7.560 5.399 5.461
198 HG13 ILE 30 2HG1 ILE 30 6.884 6.585 4.349
199 HG21 ILE 30 1HG2 ILE 30 4.446 3.690 6.270
200 HG22 ILE 30 2HG2 ILE 30 6.187 3.759 6.536
201 HG23 ILE 30 3HG2 ILE 30 5.132 4.954 7.290
202 HD11 ILE 30 3HD1 ILE 30 7.579 7.739 6.295
203 HD12 ILE 30 1HD1 ILE 30 5.816 7.686 6.324
204 HD13 ILE 30 2HD1 ILE 30 6.748 6.594 7.349
205 H HIS 31 H HIS 31 3.041 4.934 3.240
206 HA HIS 31 HA HIS 31 1.730 2.736 4.463
207 HB2 HIS 31 1HB HIS 31 0.534 4.806 4.072
208 HB3 HIS 31 2HB HIS 31 0.793 4.670 2.335
209 HD1 HIS 31 HD1 HIS 31 -1.033 2.861 5.126
210 HD2 HIS 31 HD2 HIS 31 -1.183 3.355 1.004
211 HE1 HIS 31 HE1 HIS 31 -3.145 1.713 4.388
212 H GLN 32 H GLN 32 2.956 3.341 1.228
213 HA GLN 32 HA GLN 32 1.708 1.224 -0.113
214 HB2 GLN 32 1HB GLN 32 4.128 2.889 -0.572
215 HB3 GLN 32 2HB GLN 32 3.989 1.397 -1.493
216 HG2 GLN 32 1HG GLN 32 1.664 3.249 -1.412
217 HG3 GLN 32 2HG GLN 32 3.052 3.663 -2.417
218 HE21 GLN 32 1HE2 GLN 32 0.158 2.046 -2.312
219 HE22 GLN 32 2HE2 GLN 32 0.355 1.038 -3.701
220 H GLN 33 H GLN 33 4.371 1.277 2.098
221 HA GLN 33 HA GLN 33 5.302 -1.367 1.377
222 HB2 GLN 33 1HB GLN 33 6.078 0.530 3.594
223 HB3 GLN 33 2HB GLN 33 6.811 -1.053 3.367
224 HG2 GLN 33 1HG GLN 33 6.991 1.366 1.614
225 HG3 GLN 33 2HG GLN 33 8.290 0.438 2.361
226 HE21 GLN 33 1HE2 GLN 33 6.115 0.691 -0.300
227 HE22 GLN 33 2HE2 GLN 33 6.778 -0.595 -1.244
228 H SER 34 H SER 34 2.555 -0.584 2.649
229 HA SER 34 HA SER 34 2.625 -2.347 4.983
230 HB2 SER 34 1HB SER 34 0.464 -0.515 3.918
231 HB3 SER 34 2HB SER 34 0.284 -1.537 5.343
232 HG SER 34 HG SER 34 2.088 -0.403 6.244
233 H HIS 35 H HIS 35 1.225 -2.079 1.772
234 HA HIS 35 HA HIS 35 -0.284 -4.540 2.088
235 HB2 HIS 35 1HB HIS 35 0.088 -2.874 -0.407
236 HB3 HIS 35 2HB HIS 35 -1.141 -4.103 -0.126
237 HD1 HIS 35 HD1 HIS 35 -2.773 -3.454 2.039
238 HD2 HIS 35 HD2 HIS 35 -0.811 -0.373 0.060
239 HE1 HIS 35 HE1 HIS 35 -4.028 -1.360 2.644
240 H THR 36 H THR 36 2.034 -5.455 2.570
241 HA THR 36 HA THR 36 2.811 -6.912 0.174
242 HB THR 36 HB THR 36 5.231 -6.535 0.586
243 HG1 THR 36 HG1 THR 36 5.706 -4.620 1.900
244 HG21 THR 36 3HG2 THR 36 3.816 -3.915 0.128
245 HG22 THR 36 1HG2 THR 36 3.861 -5.203 -1.074
246 HG23 THR 36 2HG2 THR 36 5.360 -4.447 -0.537
247 H GLY 37 H GLY 37 2.475 -8.939 0.839
248 HA2 GLY 37 1HA GLY 37 3.015 -9.694 3.598
249 HA3 GLY 37 2HA GLY 37 2.252 -10.696 2.372
250 H GLU 38 H GLU 38 5.039 -10.178 4.142
251 HA GLU 38 HA GLU 38 6.652 -11.739 2.233
252 HB2 GLU 38 1HB GLU 38 7.373 -9.596 4.189
253 HB3 GLU 38 2HB GLU 38 8.564 -10.829 3.800
254 HG2 GLU 38 1HG GLU 38 8.704 -8.718 2.458
255 HG3 GLU 38 2HG GLU 38 8.610 -10.210 1.525
256 H ARG 39 H ARG 39 8.219 -13.243 3.227
257 HA ARG 39 HA ARG 39 7.153 -15.247 4.654
258 HB2 ARG 39 1HB ARG 39 9.980 -14.208 4.727
259 HB3 ARG 39 2HB ARG 39 9.508 -15.685 5.556
260 HG2 ARG 39 1HG ARG 39 8.985 -15.282 2.632
261 HG3 ARG 39 2HG ARG 39 10.524 -15.903 3.232
262 HD2 ARG 39 1HD ARG 39 9.603 -17.875 3.956
263 HD3 ARG 39 2HD ARG 39 8.006 -17.165 4.193
264 HE ARG 39 HE ARG 39 8.734 -17.224 1.441
265 HH11 ARG 39 1HH1 ARG 39 7.549 -19.193 4.056
266 HH12 ARG 39 2HH1 ARG 39 6.732 -20.312 3.016
267 HH21 ARG 39 1HH2 ARG 39 7.663 -18.691 0.062
268 HH22 ARG 39 2HH2 ARG 39 6.798 -20.026 0.744
269 H HIS 40 H HIS 40 6.174 -15.405 6.550
270 HA HIS 40 HA HIS 40 6.623 -13.383 8.593
271 HB2 HIS 40 1HB HIS 40 4.689 -15.701 8.681
272 HB3 HIS 40 2HB HIS 40 4.652 -14.238 9.661
273 HD2 HIS 40 HD2 HIS 40 4.194 -15.108 5.823
274 HE1 HIS 40 HE1 HIS 40 1.849 -11.715 6.817
275 HE2 HIS 40 HE2 HIS 40 2.416 -13.402 5.035
276 H SER 41 H SER 41 8.885 -14.810 8.348
277 HA SER 41 HA SER 41 10.319 -16.322 9.330
278 HB2 SER 41 1HB SER 41 10.119 -14.341 10.897
279 HB3 SER 41 2HB SER 41 8.999 -15.309 11.854
280 HG SER 41 HG SER 41 11.649 -16.089 11.202
281 H GLY 42 H GLY 42 8.011 -17.648 8.478
282 HA2 GLY 42 1HA GLY 42 7.907 -19.794 10.481
283 HA3 GLY 42 2HA GLY 42 6.396 -19.144 9.861
284 HA PRO 43 HA PRO 43 8.405 -21.164 5.991
285 HB2 PRO 43 1HB PRO 43 10.881 -22.247 6.255
286 HB3 PRO 43 2HB PRO 43 10.614 -20.556 5.812
287 HG2 PRO 43 1HG PRO 43 11.289 -21.731 8.481
288 HG3 PRO 43 2HG PRO 43 11.937 -20.276 7.703
289 HD2 PRO 43 1HD PRO 43 10.029 -20.175 9.621
290 HD3 PRO 43 2HD PRO 43 10.117 -18.994 8.299
291 H SER 44 H SER 44 7.010 -22.850 6.052
292 HA SER 44 HA SER 44 7.466 -25.074 7.870
293 HB2 SER 44 1HB SER 44 5.314 -25.933 6.941
294 HB3 SER 44 2HB SER 44 5.177 -24.315 7.629
295 HG SER 44 HG SER 44 5.371 -25.010 4.886
296 H SER 45 H SER 45 8.581 -24.201 4.896
297 HA SER 45 HA SER 45 8.788 -26.989 3.969
298 HB2 SER 45 1HB SER 45 9.000 -24.405 2.405
299 HB3 SER 45 2HB SER 45 9.272 -26.011 1.727
300 HG SER 45 HG SER 45 7.198 -26.217 1.546
301 H GLY 46 H GLY 46 10.707 -24.050 3.364
302 HA2 GLY 46 1HA GLY 46 13.144 -25.628 3.647
303 HA3 GLY 46 2HA GLY 46 13.032 -23.984 3.037
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -25.711 18.691 18.537
2 HA2 GLY 1 1HA GLY 1 -24.805 17.482 16.099
3 HA3 GLY 1 2HA GLY 1 -25.474 19.086 15.836
4 H SER 2 H SER 2 -22.869 18.607 15.201
5 HA SER 2 HA SER 2 -21.381 19.935 17.371
6 HB2 SER 2 1HB SER 2 -19.399 18.830 16.684
7 HB3 SER 2 2HB SER 2 -20.650 17.587 16.664
8 HG SER 2 HG SER 2 -19.706 17.346 14.736
9 H SER 3 H SER 3 -19.395 21.146 16.425
10 HA SER 3 HA SER 3 -20.354 22.774 14.165
11 HB2 SER 3 1HB SER 3 -18.559 23.579 16.468
12 HB3 SER 3 2HB SER 3 -19.032 24.627 15.131
13 HG SER 3 HG SER 3 -20.740 25.059 16.257
14 H GLY 4 H GLY 4 -18.499 23.928 13.003
15 HA2 GLY 4 1HA GLY 4 -16.295 23.897 12.148
16 HA3 GLY 4 2HA GLY 4 -16.053 22.324 12.894
17 H SER 5 H SER 5 -17.634 24.001 10.221
18 HA SER 5 HA SER 5 -18.305 21.547 8.868
19 HB2 SER 5 1HB SER 5 -19.518 23.854 8.740
20 HB3 SER 5 2HB SER 5 -18.288 24.239 7.536
21 HG SER 5 HG SER 5 -19.770 21.852 7.355
22 H SER 6 H SER 6 -16.681 20.356 8.096
23 HA SER 6 HA SER 6 -14.514 21.727 6.644
24 HB2 SER 6 1HB SER 6 -14.551 19.199 8.274
25 HB3 SER 6 2HB SER 6 -13.304 19.468 7.056
26 HG SER 6 HG SER 6 -13.231 21.653 8.304
27 H GLY 7 H GLY 7 -15.252 21.757 4.575
28 HA2 GLY 7 1HA GLY 7 -15.874 19.129 3.374
29 HA3 GLY 7 2HA GLY 7 -16.728 20.595 2.918
30 H THR 8 H THR 8 -13.263 20.011 3.442
31 HA THR 8 HA THR 8 -12.763 20.406 0.591
32 HB THR 8 HB THR 8 -12.649 22.662 1.629
33 HG1 THR 8 HG1 THR 8 -10.487 21.396 0.387
34 HG21 THR 8 3HG2 THR 8 -10.749 23.170 3.119
35 HG22 THR 8 1HG2 THR 8 -10.366 21.451 3.194
36 HG23 THR 8 2HG2 THR 8 -11.890 22.045 3.854
37 H GLY 9 H GLY 9 -11.049 19.268 -0.160
38 HA2 GLY 9 1HA GLY 9 -8.952 18.363 1.614
39 HA3 GLY 9 2HA GLY 9 -10.023 17.085 1.058
40 H GLU 10 H GLU 10 -10.351 17.038 -1.379
41 HA GLU 10 HA GLU 10 -9.258 16.385 -3.301
42 HB2 GLU 10 1HB GLU 10 -8.398 18.333 -4.558
43 HB3 GLU 10 2HB GLU 10 -9.963 18.643 -3.820
44 HG2 GLU 10 1HG GLU 10 -8.858 19.852 -2.000
45 HG3 GLU 10 2HG GLU 10 -7.298 19.561 -2.767
46 H LYS 11 H LYS 11 -7.750 15.555 -1.154
47 HA LYS 11 HA LYS 11 -5.164 16.332 -0.843
48 HB2 LYS 11 1HB LYS 11 -6.517 13.684 -0.783
49 HB3 LYS 11 2HB LYS 11 -4.758 13.690 -0.791
50 HG2 LYS 11 1HG LYS 11 -5.400 13.614 1.469
51 HG3 LYS 11 2HG LYS 11 -4.879 15.274 1.172
52 HD2 LYS 11 1HD LYS 11 -6.850 15.544 2.378
53 HD3 LYS 11 2HD LYS 11 -7.375 15.735 0.703
54 HE2 LYS 11 1HE LYS 11 -7.437 13.025 1.946
55 HE3 LYS 11 2HE LYS 11 -8.694 14.187 2.366
56 HZ1 LYS 11 3HZ LYS 11 -9.627 13.182 0.562
57 HZ2 LYS 11 1HZ LYS 11 -8.147 12.889 -0.203
58 HZ3 LYS 11 2HZ LYS 11 -8.814 14.443 -0.218
59 HA PRO 12 HA PRO 12 -3.133 15.953 -4.730
60 HB2 PRO 12 1HB PRO 12 -0.574 15.699 -3.859
61 HB3 PRO 12 2HB PRO 12 -1.459 17.229 -3.811
62 HG2 PRO 12 1HG PRO 12 -0.975 15.251 -1.617
63 HG3 PRO 12 2HG PRO 12 -0.886 17.021 -1.567
64 HD2 PRO 12 1HD PRO 12 -3.027 15.644 -0.644
65 HD3 PRO 12 2HD PRO 12 -3.171 17.256 -1.373
66 H TYR 13 H TYR 13 -2.220 13.627 -2.201
67 HA TYR 13 HA TYR 13 -1.690 11.632 -4.295
68 HB2 TYR 13 1HB TYR 13 -0.940 11.391 -1.384
69 HB3 TYR 13 2HB TYR 13 -0.310 10.472 -2.746
70 HD1 TYR 13 HD1 TYR 13 1.118 11.688 -4.458
71 HD2 TYR 13 HD2 TYR 13 0.099 13.382 -0.690
72 HE1 TYR 13 HE1 TYR 13 2.977 13.283 -4.678
73 HE2 TYR 13 HE2 TYR 13 1.954 14.982 -0.901
74 HH TYR 13 HH TYR 13 4.246 14.797 -3.571
75 H LYS 14 H LYS 14 -2.271 9.351 -3.674
76 HA LYS 14 HA LYS 14 -4.316 8.862 -1.770
77 HB2 LYS 14 1HB LYS 14 -5.615 10.155 -3.455
78 HB3 LYS 14 2HB LYS 14 -5.212 8.936 -4.657
79 HG2 LYS 14 1HG LYS 14 -7.329 8.310 -3.986
80 HG3 LYS 14 2HG LYS 14 -6.293 7.277 -2.998
81 HD2 LYS 14 1HD LYS 14 -6.704 8.494 -1.067
82 HD3 LYS 14 2HD LYS 14 -7.192 9.936 -1.960
83 HE2 LYS 14 1HE LYS 14 -8.751 7.356 -1.828
84 HE3 LYS 14 2HE LYS 14 -9.090 8.797 -0.870
85 HZ1 LYS 14 3HZ LYS 14 -9.810 8.211 -3.565
86 HZ2 LYS 14 1HZ LYS 14 -8.985 9.685 -3.458
87 HZ3 LYS 14 2HZ LYS 14 -10.384 9.430 -2.542
88 H CYS 15 H CYS 15 -4.159 6.785 -1.242
89 HA CYS 15 HA CYS 15 -2.514 5.006 -2.748
90 HB2 CYS 15 1HB CYS 15 -2.506 4.805 -0.359
91 HB3 CYS 15 2HB CYS 15 -4.254 4.599 -0.313
92 H SER 16 H SER 16 -3.250 4.298 -4.659
93 HA SER 16 HA SER 16 -6.038 3.691 -5.083
94 HB2 SER 16 1HB SER 16 -5.331 3.121 -7.377
95 HB3 SER 16 2HB SER 16 -4.719 4.700 -6.886
96 HG SER 16 HG SER 16 -3.149 3.315 -7.928
97 H ASP 17 H ASP 17 -5.085 2.121 -3.042
98 HA ASP 17 HA ASP 17 -5.140 -0.550 -4.276
99 HB2 ASP 17 1HB ASP 17 -2.867 0.126 -3.331
100 HB3 ASP 17 2HB ASP 17 -3.623 0.062 -1.742
101 H CYS 18 H CYS 18 -5.595 1.216 -1.216
102 HA CYS 18 HA CYS 18 -7.834 -0.604 -0.611
103 HB2 CYS 18 1HB CYS 18 -7.419 -0.135 1.768
104 HB3 CYS 18 2HB CYS 18 -6.003 -0.838 0.994
105 H GLY 19 H GLY 19 -6.671 2.737 -0.360
106 HA2 GLY 19 1HA GLY 19 -8.349 4.406 -1.177
107 HA3 GLY 19 2HA GLY 19 -9.489 3.594 -0.114
108 H LYS 20 H LYS 20 -6.234 5.040 0.092
109 HA LYS 20 HA LYS 20 -7.150 6.556 2.433
110 HB2 LYS 20 1HB LYS 20 -5.790 4.430 2.995
111 HB3 LYS 20 2HB LYS 20 -4.410 5.319 2.366
112 HG2 LYS 20 1HG LYS 20 -4.799 7.082 4.020
113 HG3 LYS 20 2HG LYS 20 -6.167 6.169 4.660
114 HD2 LYS 20 1HD LYS 20 -4.641 4.309 5.196
115 HD3 LYS 20 2HD LYS 20 -3.284 5.273 4.608
116 HE2 LYS 20 1HE LYS 20 -5.076 6.400 6.710
117 HE3 LYS 20 2HE LYS 20 -3.872 5.196 7.164
118 HZ1 LYS 20 3HZ LYS 20 -2.579 7.036 5.549
119 HZ2 LYS 20 1HZ LYS 20 -2.392 6.822 7.217
120 HZ3 LYS 20 2HZ LYS 20 -3.511 7.945 6.629
121 H ALA 21 H ALA 21 -6.766 8.650 2.185
122 HA ALA 21 HA ALA 21 -4.881 9.518 0.129
123 HB1 ALA 21 3HB ALA 21 -5.945 11.702 0.339
124 HB2 ALA 21 1HB ALA 21 -7.145 10.438 0.069
125 HB3 ALA 21 2HB ALA 21 -6.918 11.108 1.685
126 H PHE 22 H PHE 22 -3.352 11.211 0.536
127 HA PHE 22 HA PHE 22 -2.629 11.604 3.352
128 HB2 PHE 22 1HB PHE 22 -0.650 10.861 1.187
129 HB3 PHE 22 2HB PHE 22 -0.275 11.184 2.877
130 HD1 PHE 22 HD1 PHE 22 -2.303 8.920 0.731
131 HD2 PHE 22 HD2 PHE 22 -0.171 9.433 4.379
132 HE1 PHE 22 HE1 PHE 22 -2.627 6.537 1.251
133 HE2 PHE 22 HE2 PHE 22 -0.491 7.051 4.905
134 HZ PHE 22 HZ PHE 22 -1.720 5.600 3.340
135 H THR 23 H THR 23 -0.811 13.302 3.499
136 HA THR 23 HA THR 23 -1.594 15.544 1.778
137 HB THR 23 HB THR 23 -0.080 15.588 4.397
138 HG1 THR 23 HG1 THR 23 -2.256 16.665 4.926
139 HG21 THR 23 3HG2 THR 23 -0.493 17.579 2.364
140 HG22 THR 23 1HG2 THR 23 0.432 17.690 3.861
141 HG23 THR 23 2HG2 THR 23 -1.292 18.064 3.860
142 H ARG 24 H ARG 24 1.240 13.794 2.952
143 HA ARG 24 HA ARG 24 2.917 15.307 1.070
144 HB2 ARG 24 1HB ARG 24 3.699 13.591 3.434
145 HB3 ARG 24 2HB ARG 24 4.830 14.411 2.366
146 HG2 ARG 24 1HG ARG 24 2.728 16.019 3.724
147 HG3 ARG 24 2HG ARG 24 4.117 15.462 4.659
148 HD2 ARG 24 1HD ARG 24 5.616 16.711 3.427
149 HD3 ARG 24 2HD ARG 24 4.555 16.785 2.020
150 HE ARG 24 HE ARG 24 4.594 18.585 4.260
151 HH11 ARG 24 1HH1 ARG 24 2.672 17.281 1.667
152 HH12 ARG 24 2HH1 ARG 24 1.599 18.640 1.605
153 HH21 ARG 24 1HH2 ARG 24 3.188 20.380 4.188
154 HH22 ARG 24 2HH2 ARG 24 1.894 20.402 3.038
155 H LYS 25 H LYS 25 4.799 13.919 0.194
156 HA LYS 25 HA LYS 25 3.634 11.801 -1.339
157 HB2 LYS 25 1HB LYS 25 5.275 13.250 -2.368
158 HB3 LYS 25 2HB LYS 25 6.471 12.824 -1.151
159 HG2 LYS 25 1HG LYS 25 7.165 11.474 -2.836
160 HG3 LYS 25 2HG LYS 25 6.004 10.387 -2.071
161 HD2 LYS 25 1HD LYS 25 5.012 12.235 -4.178
162 HD3 LYS 25 2HD LYS 25 5.982 10.848 -4.681
163 HE2 LYS 25 1HE LYS 25 4.439 9.375 -3.419
164 HE3 LYS 25 2HE LYS 25 3.443 10.782 -3.052
165 HZ1 LYS 25 3HZ LYS 25 2.633 9.490 -4.965
166 HZ2 LYS 25 1HZ LYS 25 4.065 9.836 -5.796
167 HZ3 LYS 25 2HZ LYS 25 3.008 11.087 -5.376
168 H SER 26 H SER 26 6.316 11.918 1.007
169 HA SER 26 HA SER 26 6.898 9.219 1.112
170 HB2 SER 26 1HB SER 26 8.324 10.811 2.224
171 HB3 SER 26 2HB SER 26 7.019 11.298 3.307
172 HG SER 26 HG SER 26 7.371 9.593 4.506
173 H GLY 27 H GLY 27 4.524 11.031 3.041
174 HA2 GLY 27 1HA GLY 27 3.618 9.197 4.810
175 HA3 GLY 27 2HA GLY 27 2.535 10.288 3.959
176 H LEU 28 H LEU 28 2.802 9.256 1.363
177 HA LEU 28 HA LEU 28 1.087 6.950 1.594
178 HB2 LEU 28 1HB LEU 28 0.438 8.480 -0.058
179 HB3 LEU 28 2HB LEU 28 2.075 8.618 -0.695
180 HG LEU 28 HG LEU 28 1.878 6.303 -1.567
181 HD11 LEU 28 1HD1 LEU 28 -0.403 5.337 -1.715
182 HD12 LEU 28 2HD1 LEU 28 -0.962 6.580 -0.597
183 HD13 LEU 28 3HD1 LEU 28 0.235 5.396 -0.071
184 HD21 LEU 28 3HD2 LEU 28 -0.345 8.085 -2.544
185 HD22 LEU 28 1HD2 LEU 28 0.559 6.882 -3.464
186 HD23 LEU 28 2HD2 LEU 28 1.359 8.353 -2.911
187 H HIS 29 H HIS 29 4.288 7.644 0.228
188 HA HIS 29 HA HIS 29 4.903 5.217 -0.901
189 HB2 HIS 29 1HB HIS 29 6.595 7.261 0.507
190 HB3 HIS 29 2HB HIS 29 7.316 5.779 -0.115
191 HD2 HIS 29 HD2 HIS 29 4.579 7.336 -2.349
192 HE1 HIS 29 HE1 HIS 29 8.345 8.309 -4.043
193 HE2 HIS 29 HE2 HIS 29 5.845 8.402 -4.337
194 H ILE 30 H ILE 30 5.387 6.175 2.491
195 HA ILE 30 HA ILE 30 6.452 3.705 3.343
196 HB ILE 30 HB ILE 30 4.986 5.797 4.957
197 HG12 ILE 30 1HG1 ILE 30 7.962 5.355 4.674
198 HG13 ILE 30 2HG1 ILE 30 7.062 6.529 3.719
199 HG21 ILE 30 1HG2 ILE 30 6.794 3.563 5.871
200 HG22 ILE 30 2HG2 ILE 30 6.081 4.806 6.898
201 HG23 ILE 30 3HG2 ILE 30 5.045 3.631 6.087
202 HD11 ILE 30 3HD1 ILE 30 6.627 7.872 5.564
203 HD12 ILE 30 1HD1 ILE 30 6.985 6.580 6.709
204 HD13 ILE 30 2HD1 ILE 30 8.292 7.344 5.804
205 H HIS 31 H HIS 31 3.154 5.022 3.464
206 HA HIS 31 HA HIS 31 1.895 2.965 4.820
207 HB2 HIS 31 1HB HIS 31 0.552 4.828 4.445
208 HB3 HIS 31 2HB HIS 31 0.974 4.915 2.738
209 HD1 HIS 31 HD1 HIS 31 -0.908 2.509 5.016
210 HD2 HIS 31 HD2 HIS 31 -1.010 4.017 1.146
211 HE1 HIS 31 HE1 HIS 31 -2.963 1.515 3.961
212 H GLN 32 H GLN 32 2.866 3.153 1.453
213 HA GLN 32 HA GLN 32 1.429 0.960 0.464
214 HB2 GLN 32 1HB GLN 32 3.906 2.402 -0.373
215 HB3 GLN 32 2HB GLN 32 3.523 0.869 -1.145
216 HG2 GLN 32 1HG GLN 32 1.594 3.168 -0.997
217 HG3 GLN 32 2HG GLN 32 2.717 2.924 -2.334
218 HE21 GLN 32 1HE2 GLN 32 1.398 2.404 -3.961
219 HE22 GLN 32 2HE2 GLN 32 0.294 1.075 -3.957
220 H GLN 33 H GLN 33 4.742 1.131 1.752
221 HA GLN 33 HA GLN 33 5.732 -1.324 1.436
222 HB2 GLN 33 1HB GLN 33 5.717 0.400 3.893
223 HB3 GLN 33 2HB GLN 33 6.537 -1.156 3.899
224 HG2 GLN 33 1HG GLN 33 7.121 0.826 1.746
225 HG3 GLN 33 2HG GLN 33 7.853 1.007 3.340
226 HE21 GLN 33 1HE2 GLN 33 8.053 -0.494 0.338
227 HE22 GLN 33 2HE2 GLN 33 9.313 -1.619 0.700
228 H SER 34 H SER 34 3.471 -0.554 4.084
229 HA SER 34 HA SER 34 3.183 -3.004 5.241
230 HB2 SER 34 1HB SER 34 1.029 -2.303 6.022
231 HB3 SER 34 2HB SER 34 2.030 -0.856 5.911
232 HG SER 34 HG SER 34 0.720 -0.092 4.462
233 H HIS 35 H HIS 35 1.290 -1.818 2.466
234 HA HIS 35 HA HIS 35 -0.285 -4.028 2.006
235 HB2 HIS 35 1HB HIS 35 0.918 -2.005 0.134
236 HB3 HIS 35 2HB HIS 35 -0.102 -3.307 -0.472
237 HD1 HIS 35 HD1 HIS 35 -2.486 -3.406 1.133
238 HD2 HIS 35 HD2 HIS 35 -0.554 0.217 0.499
239 HE1 HIS 35 HE1 HIS 35 -4.218 -1.635 1.569
240 H THR 36 H THR 36 3.100 -3.563 1.275
241 HA THR 36 HA THR 36 3.249 -6.028 -0.262
242 HB THR 36 HB THR 36 5.419 -4.080 0.542
243 HG1 THR 36 HG1 THR 36 5.282 -3.730 -1.848
244 HG21 THR 36 3HG2 THR 36 6.073 -6.530 0.118
245 HG22 THR 36 1HG2 THR 36 6.930 -5.283 -0.785
246 HG23 THR 36 2HG2 THR 36 5.648 -6.211 -1.563
247 H GLY 37 H GLY 37 2.681 -7.549 1.354
248 HA2 GLY 37 1HA GLY 37 4.789 -8.799 2.654
249 HA3 GLY 37 2HA GLY 37 4.038 -7.744 3.842
250 H GLU 38 H GLU 38 2.175 -8.362 4.813
251 HA GLU 38 HA GLU 38 0.950 -10.868 3.863
252 HB2 GLU 38 1HB GLU 38 2.288 -11.113 5.967
253 HB3 GLU 38 2HB GLU 38 1.185 -9.984 6.742
254 HG2 GLU 38 1HG GLU 38 -0.676 -11.568 6.159
255 HG3 GLU 38 2HG GLU 38 0.565 -12.722 5.675
256 H ARG 39 H ARG 39 0.261 -8.173 6.101
257 HA ARG 39 HA ARG 39 -2.558 -8.376 5.717
258 HB2 ARG 39 1HB ARG 39 -0.926 -6.132 6.921
259 HB3 ARG 39 2HB ARG 39 -2.671 -6.313 7.051
260 HG2 ARG 39 1HG ARG 39 -2.349 -8.419 8.269
261 HG3 ARG 39 2HG ARG 39 -0.602 -8.194 8.166
262 HD2 ARG 39 1HD ARG 39 -2.249 -5.994 9.305
263 HD3 ARG 39 2HD ARG 39 -1.979 -7.432 10.289
264 HE ARG 39 HE ARG 39 -0.037 -5.425 9.567
265 HH11 ARG 39 1HH1 ARG 39 -0.552 -8.683 10.679
266 HH12 ARG 39 2HH1 ARG 39 1.013 -8.821 11.407
267 HH21 ARG 39 1HH2 ARG 39 2.028 -5.594 10.522
268 HH22 ARG 39 2HH2 ARG 39 2.480 -7.063 11.318
269 H HIS 40 H HIS 40 -2.735 -8.250 3.416
270 HA HIS 40 HA HIS 40 -2.636 -5.480 2.429
271 HB2 HIS 40 1HB HIS 40 -1.895 -6.233 0.256
272 HB3 HIS 40 2HB HIS 40 -0.773 -6.835 1.474
273 HD2 HIS 40 HD2 HIS 40 -1.686 -8.244 -1.582
274 HE1 HIS 40 HE1 HIS 40 -2.612 -11.456 1.030
275 HE2 HIS 40 HE2 HIS 40 -2.098 -10.787 -1.343
276 H SER 41 H SER 41 -4.882 -6.629 3.580
277 HA SER 41 HA SER 41 -6.763 -6.384 1.423
278 HB2 SER 41 1HB SER 41 -7.777 -8.538 1.547
279 HB3 SER 41 2HB SER 41 -6.045 -8.824 1.380
280 HG SER 41 HG SER 41 -6.147 -9.869 3.186
281 H GLY 42 H GLY 42 -9.035 -6.481 2.225
282 HA2 GLY 42 1HA GLY 42 -9.426 -6.289 5.086
283 HA3 GLY 42 2HA GLY 42 -9.587 -4.762 4.231
284 HA PRO 43 HA PRO 43 -13.822 -5.728 3.580
285 HB2 PRO 43 1HB PRO 43 -14.322 -4.108 1.459
286 HB3 PRO 43 2HB PRO 43 -14.105 -3.498 3.104
287 HG2 PRO 43 1HG PRO 43 -12.142 -3.595 0.847
288 HG3 PRO 43 2HG PRO 43 -12.454 -2.287 2.003
289 HD2 PRO 43 1HD PRO 43 -10.358 -3.984 2.254
290 HD3 PRO 43 2HD PRO 43 -11.186 -3.275 3.655
291 H SER 44 H SER 44 -15.220 -6.845 2.178
292 HA SER 44 HA SER 44 -13.844 -8.279 0.010
293 HB2 SER 44 1HB SER 44 -16.064 -9.034 1.882
294 HB3 SER 44 2HB SER 44 -15.913 -9.851 0.326
295 HG SER 44 HG SER 44 -13.540 -9.971 1.170
296 H SER 45 H SER 45 -15.232 -8.931 -1.843
297 HA SER 45 HA SER 45 -16.630 -6.614 -2.842
298 HB2 SER 45 1HB SER 45 -16.614 -7.708 -4.961
299 HB3 SER 45 2HB SER 45 -15.062 -8.075 -4.208
300 HG SER 45 HG SER 45 -17.325 -9.783 -4.110
301 H GLY 46 H GLY 46 -18.787 -6.418 -3.297
302 HA2 GLY 46 1HA GLY 46 -20.561 -8.147 -1.820
303 HA3 GLY 46 2HA GLY 46 -21.016 -6.716 -2.732
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -32.522 18.977 -10.898
2 HA2 GLY 1 1HA GLY 1 -30.665 17.249 -10.187
3 HA3 GLY 1 2HA GLY 1 -29.999 17.755 -11.732
4 H SER 2 H SER 2 -31.114 19.011 -8.608
5 HA SER 2 HA SER 2 -29.678 21.491 -8.971
6 HB2 SER 2 1HB SER 2 -31.876 21.232 -7.701
7 HB3 SER 2 2HB SER 2 -30.928 20.498 -6.408
8 HG SER 2 HG SER 2 -29.885 22.396 -6.083
9 H SER 3 H SER 3 -27.928 19.387 -9.211
10 HA SER 3 HA SER 3 -26.458 19.345 -6.664
11 HB2 SER 3 1HB SER 3 -27.080 17.159 -7.801
12 HB3 SER 3 2HB SER 3 -25.935 17.593 -9.070
13 HG SER 3 HG SER 3 -24.901 16.319 -7.534
14 H GLY 4 H GLY 4 -25.016 20.940 -6.542
15 HA2 GLY 4 1HA GLY 4 -22.928 21.135 -8.510
16 HA3 GLY 4 2HA GLY 4 -23.998 22.528 -8.510
17 H SER 5 H SER 5 -21.951 20.562 -6.381
18 HA SER 5 HA SER 5 -21.435 22.994 -4.797
19 HB2 SER 5 1HB SER 5 -21.564 20.106 -3.914
20 HB3 SER 5 2HB SER 5 -20.899 21.395 -2.910
21 HG SER 5 HG SER 5 -23.426 21.799 -4.013
22 H SER 6 H SER 6 -19.466 23.766 -5.106
23 HA SER 6 HA SER 6 -17.395 22.178 -6.311
24 HB2 SER 6 1HB SER 6 -17.809 24.658 -6.731
25 HB3 SER 6 2HB SER 6 -17.080 24.949 -5.152
26 HG SER 6 HG SER 6 -15.671 23.320 -6.912
27 H GLY 7 H GLY 7 -15.869 21.040 -5.309
28 HA2 GLY 7 1HA GLY 7 -15.243 21.703 -2.503
29 HA3 GLY 7 2HA GLY 7 -15.568 20.043 -2.981
30 H THR 8 H THR 8 -13.355 22.753 -3.389
31 HA THR 8 HA THR 8 -11.386 21.099 -4.727
32 HB THR 8 HB THR 8 -9.962 23.156 -4.633
33 HG1 THR 8 HG1 THR 8 -11.263 25.102 -4.044
34 HG21 THR 8 3HG2 THR 8 -10.880 23.734 -6.583
35 HG22 THR 8 1HG2 THR 8 -12.341 24.321 -5.790
36 HG23 THR 8 2HG2 THR 8 -12.194 22.617 -6.218
37 H GLY 9 H GLY 9 -12.016 20.066 -2.229
38 HA2 GLY 9 1HA GLY 9 -9.527 20.613 -0.730
39 HA3 GLY 9 2HA GLY 9 -11.057 20.293 0.074
40 H GLU 10 H GLU 10 -8.764 18.841 -2.222
41 HA GLU 10 HA GLU 10 -9.261 16.250 -0.923
42 HB2 GLU 10 1HB GLU 10 -10.469 16.205 -3.022
43 HB3 GLU 10 2HB GLU 10 -9.049 16.767 -3.893
44 HG2 GLU 10 1HG GLU 10 -7.920 14.634 -3.029
45 HG3 GLU 10 2HG GLU 10 -9.554 14.088 -2.658
46 H LYS 11 H LYS 11 -7.494 14.920 -0.684
47 HA LYS 11 HA LYS 11 -4.965 16.126 -0.507
48 HB2 LYS 11 1HB LYS 11 -5.992 13.331 -0.290
49 HB3 LYS 11 2HB LYS 11 -4.255 13.576 -0.423
50 HG2 LYS 11 1HG LYS 11 -4.735 13.456 1.879
51 HG3 LYS 11 2HG LYS 11 -4.446 15.162 1.526
52 HD2 LYS 11 1HD LYS 11 -6.350 15.234 2.848
53 HD3 LYS 11 2HD LYS 11 -7.017 15.277 1.214
54 HE2 LYS 11 1HE LYS 11 -7.747 13.076 1.320
55 HE3 LYS 11 2HE LYS 11 -6.629 12.664 2.619
56 HZ1 LYS 11 3HZ LYS 11 -7.946 13.786 4.186
57 HZ2 LYS 11 1HZ LYS 11 -9.041 12.898 3.250
58 HZ3 LYS 11 2HZ LYS 11 -8.869 14.561 3.000
59 HA PRO 12 HA PRO 12 -3.298 15.799 -4.560
60 HB2 PRO 12 1HB PRO 12 -0.657 15.552 -3.980
61 HB3 PRO 12 2HB PRO 12 -1.543 17.071 -3.796
62 HG2 PRO 12 1HG PRO 12 -0.807 15.043 -1.720
63 HG3 PRO 12 2HG PRO 12 -0.727 16.812 -1.634
64 HD2 PRO 12 1HD PRO 12 -2.743 15.389 -0.520
65 HD3 PRO 12 2HD PRO 12 -2.979 17.018 -1.186
66 H TYR 13 H TYR 13 -2.596 13.323 -2.190
67 HA TYR 13 HA TYR 13 -2.095 11.420 -4.385
68 HB2 TYR 13 1HB TYR 13 -1.107 11.054 -1.561
69 HB3 TYR 13 2HB TYR 13 -0.595 10.202 -3.014
70 HD1 TYR 13 HD1 TYR 13 0.772 11.420 -4.727
71 HD2 TYR 13 HD2 TYR 13 -0.072 13.080 -0.902
72 HE1 TYR 13 HE1 TYR 13 2.621 13.016 -5.018
73 HE2 TYR 13 HE2 TYR 13 1.773 14.682 -1.183
74 HH TYR 13 HH TYR 13 3.253 15.548 -2.636
75 H LYS 14 H LYS 14 -2.558 9.088 -3.612
76 HA LYS 14 HA LYS 14 -4.508 8.636 -1.617
77 HB2 LYS 14 1HB LYS 14 -5.817 9.921 -3.399
78 HB3 LYS 14 2HB LYS 14 -5.629 8.495 -4.412
79 HG2 LYS 14 1HG LYS 14 -6.621 7.283 -2.290
80 HG3 LYS 14 2HG LYS 14 -7.276 8.892 -1.975
81 HD2 LYS 14 1HD LYS 14 -7.959 8.720 -4.524
82 HD3 LYS 14 2HD LYS 14 -7.871 6.990 -4.185
83 HE2 LYS 14 1HE LYS 14 -10.108 7.596 -3.776
84 HE3 LYS 14 2HE LYS 14 -9.361 7.455 -2.185
85 HZ1 LYS 14 3HZ LYS 14 -9.259 10.095 -3.379
86 HZ2 LYS 14 1HZ LYS 14 -9.597 9.638 -1.786
87 HZ3 LYS 14 2HZ LYS 14 -10.807 9.553 -2.965
88 H CYS 15 H CYS 15 -4.381 6.555 -1.078
89 HA CYS 15 HA CYS 15 -2.926 4.740 -2.812
90 HB2 CYS 15 1HB CYS 15 -2.292 4.694 -0.505
91 HB3 CYS 15 2HB CYS 15 -3.963 4.498 0.014
92 H SER 16 H SER 16 -3.851 3.345 -4.149
93 HA SER 16 HA SER 16 -6.729 2.994 -4.096
94 HB2 SER 16 1HB SER 16 -6.471 1.942 -6.254
95 HB3 SER 16 2HB SER 16 -5.468 3.392 -6.227
96 HG SER 16 HG SER 16 -4.605 0.714 -5.853
97 H ASP 17 H ASP 17 -3.833 1.153 -3.431
98 HA ASP 17 HA ASP 17 -4.615 -1.440 -3.486
99 HB2 ASP 17 1HB ASP 17 -2.388 -0.688 -2.742
100 HB3 ASP 17 2HB ASP 17 -3.087 -0.141 -1.220
101 H CYS 18 H CYS 18 -5.086 0.673 -0.648
102 HA CYS 18 HA CYS 18 -7.263 -1.116 0.206
103 HB2 CYS 18 1HB CYS 18 -6.867 -0.365 2.472
104 HB3 CYS 18 2HB CYS 18 -5.345 -0.912 1.776
105 H GLY 19 H GLY 19 -6.314 2.268 -0.181
106 HA2 GLY 19 1HA GLY 19 -8.020 3.737 -1.179
107 HA3 GLY 19 2HA GLY 19 -9.183 2.972 -0.107
108 H LYS 20 H LYS 20 -6.071 4.701 0.099
109 HA LYS 20 HA LYS 20 -7.200 6.236 2.345
110 HB2 LYS 20 1HB LYS 20 -4.572 4.841 2.103
111 HB3 LYS 20 2HB LYS 20 -4.638 6.348 3.007
112 HG2 LYS 20 1HG LYS 20 -6.521 5.314 4.340
113 HG3 LYS 20 2HG LYS 20 -6.095 3.783 3.570
114 HD2 LYS 20 1HD LYS 20 -4.014 3.699 4.610
115 HD3 LYS 20 2HD LYS 20 -4.008 5.430 4.952
116 HE2 LYS 20 1HE LYS 20 -4.417 4.433 7.027
117 HE3 LYS 20 2HE LYS 20 -6.009 4.948 6.472
118 HZ1 LYS 20 3HZ LYS 20 -4.888 2.214 6.533
119 HZ2 LYS 20 1HZ LYS 20 -6.225 2.602 5.571
120 HZ3 LYS 20 2HZ LYS 20 -6.309 2.785 7.250
121 H ALA 21 H ALA 21 -5.675 8.228 2.764
122 HA ALA 21 HA ALA 21 -4.761 9.381 0.230
123 HB1 ALA 21 3HB ALA 21 -6.988 10.192 0.339
124 HB2 ALA 21 1HB ALA 21 -6.827 10.600 2.047
125 HB3 ALA 21 2HB ALA 21 -5.939 11.522 0.832
126 H PHE 22 H PHE 22 -3.319 11.166 0.467
127 HA PHE 22 HA PHE 22 -2.362 11.779 3.148
128 HB2 PHE 22 1HB PHE 22 -0.436 10.811 1.033
129 HB3 PHE 22 2HB PHE 22 -0.083 11.178 2.718
130 HD1 PHE 22 HD1 PHE 22 -1.804 8.812 0.471
131 HD2 PHE 22 HD2 PHE 22 -0.388 9.565 4.414
132 HE1 PHE 22 HE1 PHE 22 -2.205 6.457 1.061
133 HE2 PHE 22 HE2 PHE 22 -0.786 7.212 5.010
134 HZ PHE 22 HZ PHE 22 -1.695 5.654 3.333
135 H THR 23 H THR 23 -0.783 13.566 3.147
136 HA THR 23 HA THR 23 -1.416 15.458 0.995
137 HB THR 23 HB THR 23 -1.971 16.233 3.240
138 HG1 THR 23 HG1 THR 23 -0.348 18.108 3.183
139 HG21 THR 23 3HG2 THR 23 0.581 16.742 4.351
140 HG22 THR 23 1HG2 THR 23 0.537 15.037 3.905
141 HG23 THR 23 2HG2 THR 23 -0.692 15.698 4.983
142 H ARG 24 H ARG 24 1.215 13.776 2.526
143 HA ARG 24 HA ARG 24 3.110 15.155 0.739
144 HB2 ARG 24 1HB ARG 24 3.738 13.746 3.339
145 HB3 ARG 24 2HB ARG 24 4.867 14.647 2.335
146 HG2 ARG 24 1HG ARG 24 2.459 16.057 3.352
147 HG3 ARG 24 2HG ARG 24 3.772 15.708 4.479
148 HD2 ARG 24 1HD ARG 24 4.465 17.741 3.713
149 HD3 ARG 24 2HD ARG 24 5.238 16.701 2.517
150 HE ARG 24 HE ARG 24 2.778 17.292 1.465
151 HH11 ARG 24 1HH1 ARG 24 5.522 19.126 2.572
152 HH12 ARG 24 2HH1 ARG 24 5.250 20.440 1.476
153 HH21 ARG 24 1HH2 ARG 24 2.410 19.016 0.017
154 HH22 ARG 24 2HH2 ARG 24 3.479 20.377 0.024
155 H LYS 25 H LYS 25 4.907 13.829 -0.055
156 HA LYS 25 HA LYS 25 4.030 11.495 -1.317
157 HB2 LYS 25 1HB LYS 25 6.762 12.663 -0.848
158 HB3 LYS 25 2HB LYS 25 6.558 11.133 -1.691
159 HG2 LYS 25 1HG LYS 25 5.089 13.588 -2.572
160 HG3 LYS 25 2HG LYS 25 6.752 13.281 -3.078
161 HD2 LYS 25 1HD LYS 25 5.737 10.907 -3.678
162 HD3 LYS 25 2HD LYS 25 4.246 11.846 -3.789
163 HE2 LYS 25 1HE LYS 25 6.813 12.442 -5.259
164 HE3 LYS 25 2HE LYS 25 5.392 11.665 -5.955
165 HZ1 LYS 25 3HZ LYS 25 4.484 13.636 -6.320
166 HZ2 LYS 25 1HZ LYS 25 5.915 14.375 -5.804
167 HZ3 LYS 25 2HZ LYS 25 4.664 14.093 -4.702
168 H SER 26 H SER 26 6.544 11.720 1.208
169 HA SER 26 HA SER 26 7.031 9.146 1.772
170 HB2 SER 26 1HB SER 26 7.759 11.330 3.023
171 HB3 SER 26 2HB SER 26 6.429 10.929 4.109
172 HG SER 26 HG SER 26 7.589 8.712 3.979
173 H GLY 27 H GLY 27 4.354 10.927 3.329
174 HA2 GLY 27 1HA GLY 27 3.152 9.052 4.825
175 HA3 GLY 27 2HA GLY 27 2.220 10.168 3.838
176 H LEU 28 H LEU 28 2.889 9.217 1.294
177 HA LEU 28 HA LEU 28 1.208 6.866 1.205
178 HB2 LEU 28 1HB LEU 28 0.755 8.530 -0.422
179 HB3 LEU 28 2HB LEU 28 2.448 8.612 -0.906
180 HG LEU 28 HG LEU 28 2.205 6.275 -1.795
181 HD11 LEU 28 1HD1 LEU 28 0.276 5.558 -0.538
182 HD12 LEU 28 2HD1 LEU 28 -0.095 5.510 -2.261
183 HD13 LEU 28 3HD1 LEU 28 -0.711 6.828 -1.263
184 HD21 LEU 28 3HD2 LEU 28 2.213 7.775 -3.510
185 HD22 LEU 28 1HD2 LEU 28 0.843 8.684 -2.871
186 HD23 LEU 28 2HD2 LEU 28 0.574 7.147 -3.692
187 H HIS 29 H HIS 29 4.540 7.723 0.364
188 HA HIS 29 HA HIS 29 5.361 5.356 -0.810
189 HB2 HIS 29 1HB HIS 29 6.851 7.342 0.901
190 HB3 HIS 29 2HB HIS 29 7.652 5.965 0.150
191 HD2 HIS 29 HD2 HIS 29 5.002 7.701 -2.051
192 HE1 HIS 29 HE1 HIS 29 8.822 8.989 -3.371
193 HE2 HIS 29 HE2 HIS 29 6.343 9.039 -3.811
194 H ILE 30 H ILE 30 5.701 6.237 2.632
195 HA ILE 30 HA ILE 30 6.637 3.739 3.492
196 HB ILE 30 HB ILE 30 5.080 5.793 5.066
197 HG12 ILE 30 1HG1 ILE 30 8.052 5.399 5.175
198 HG13 ILE 30 2HG1 ILE 30 7.344 6.375 3.892
199 HG21 ILE 30 1HG2 ILE 30 5.863 4.746 7.043
200 HG22 ILE 30 2HG2 ILE 30 5.181 3.472 6.034
201 HG23 ILE 30 3HG2 ILE 30 6.930 3.675 6.134
202 HD11 ILE 30 3HD1 ILE 30 6.861 6.873 6.815
203 HD12 ILE 30 1HD1 ILE 30 8.142 7.648 5.882
204 HD13 ILE 30 2HD1 ILE 30 6.452 7.921 5.457
205 H HIS 31 H HIS 31 3.343 5.085 3.516
206 HA HIS 31 HA HIS 31 2.000 2.992 4.712
207 HB2 HIS 31 1HB HIS 31 0.817 5.013 4.255
208 HB3 HIS 31 2HB HIS 31 1.126 4.881 2.526
209 HD1 HIS 31 HD1 HIS 31 -0.547 2.613 5.098
210 HD2 HIS 31 HD2 HIS 31 -1.132 4.125 1.273
211 HE1 HIS 31 HE1 HIS 31 -2.740 1.654 4.325
212 H GLN 32 H GLN 32 2.361 3.476 1.193
213 HA GLN 32 HA GLN 32 1.223 1.201 0.244
214 HB2 GLN 32 1HB GLN 32 3.583 2.789 -0.677
215 HB3 GLN 32 2HB GLN 32 3.186 1.290 -1.506
216 HG2 GLN 32 1HG GLN 32 0.781 2.363 -1.567
217 HG3 GLN 32 2HG GLN 32 1.701 3.858 -1.405
218 HE21 GLN 32 1HE2 GLN 32 0.404 1.732 -3.557
219 HE22 GLN 32 2HE2 GLN 32 1.350 2.119 -4.949
220 H GLN 33 H GLN 33 4.238 1.469 1.960
221 HA GLN 33 HA GLN 33 5.068 -1.230 1.331
222 HB2 GLN 33 1HB GLN 33 6.190 0.831 3.235
223 HB3 GLN 33 2HB GLN 33 6.912 -0.747 2.947
224 HG2 GLN 33 1HG GLN 33 6.522 1.424 0.900
225 HG3 GLN 33 2HG GLN 33 8.042 0.983 1.677
226 HE21 GLN 33 1HE2 GLN 33 6.994 0.936 -1.166
227 HE22 GLN 33 2HE2 GLN 33 7.387 -0.649 -1.730
228 H SER 34 H SER 34 2.521 -1.146 2.488
229 HA SER 34 HA SER 34 3.044 -2.502 5.049
230 HB2 SER 34 1HB SER 34 2.028 -0.314 5.501
231 HB3 SER 34 2HB SER 34 0.692 -0.701 4.416
232 HG SER 34 HG SER 34 -0.131 -2.031 5.872
233 H HIS 35 H HIS 35 1.113 -2.263 2.136
234 HA HIS 35 HA HIS 35 -0.490 -4.577 2.768
235 HB2 HIS 35 1HB HIS 35 -0.232 -3.291 0.055
236 HB3 HIS 35 2HB HIS 35 -1.592 -4.201 0.705
237 HD1 HIS 35 HD1 HIS 35 -2.324 -2.830 3.208
238 HD2 HIS 35 HD2 HIS 35 -1.009 -0.718 -0.119
239 HE1 HIS 35 HE1 HIS 35 -3.193 -0.490 3.510
240 H THR 36 H THR 36 2.142 -5.279 2.981
241 HA THR 36 HA THR 36 3.501 -6.244 0.800
242 HB THR 36 HB THR 36 4.421 -8.011 2.311
243 HG1 THR 36 HG1 THR 36 2.384 -6.989 4.000
244 HG21 THR 36 3HG2 THR 36 4.936 -6.099 4.189
245 HG22 THR 36 1HG2 THR 36 4.424 -5.120 2.815
246 HG23 THR 36 2HG2 THR 36 5.773 -6.243 2.644
247 H GLY 37 H GLY 37 0.985 -7.943 2.664
248 HA2 GLY 37 1HA GLY 37 0.977 -10.368 1.354
249 HA3 GLY 37 2HA GLY 37 -0.458 -9.620 2.041
250 H GLU 38 H GLU 38 0.373 -11.121 -0.579
251 HA GLU 38 HA GLU 38 -1.047 -9.273 -2.383
252 HB2 GLU 38 1HB GLU 38 1.478 -9.953 -2.795
253 HB3 GLU 38 2HB GLU 38 0.744 -11.401 -3.469
254 HG2 GLU 38 1HG GLU 38 -0.698 -9.738 -4.830
255 HG3 GLU 38 2HG GLU 38 0.561 -8.576 -4.415
256 H ARG 39 H ARG 39 -2.517 -10.189 -3.873
257 HA ARG 39 HA ARG 39 -3.846 -12.545 -2.858
258 HB2 ARG 39 1HB ARG 39 -4.515 -10.741 -5.191
259 HB3 ARG 39 2HB ARG 39 -5.542 -12.036 -4.589
260 HG2 ARG 39 1HG ARG 39 -5.418 -10.780 -2.339
261 HG3 ARG 39 2HG ARG 39 -4.869 -9.417 -3.316
262 HD2 ARG 39 1HD ARG 39 -7.391 -10.952 -3.901
263 HD3 ARG 39 2HD ARG 39 -7.352 -9.530 -2.860
264 HE ARG 39 HE ARG 39 -7.252 -9.571 -5.713
265 HH11 ARG 39 1HH1 ARG 39 -6.211 -7.822 -2.889
266 HH12 ARG 39 2HH1 ARG 39 -6.077 -6.306 -3.717
267 HH21 ARG 39 1HH2 ARG 39 -7.079 -7.582 -6.814
268 HH22 ARG 39 2HH2 ARG 39 -6.572 -6.170 -5.950
269 H HIS 40 H HIS 40 -2.690 -11.571 -6.093
270 HA HIS 40 HA HIS 40 -2.712 -14.317 -6.991
271 HB2 HIS 40 1HB HIS 40 -1.913 -11.727 -8.323
272 HB3 HIS 40 2HB HIS 40 -1.782 -13.295 -9.115
273 HD2 HIS 40 HD2 HIS 40 -4.669 -11.039 -7.632
274 HE1 HIS 40 HE1 HIS 40 -6.248 -13.573 -10.647
275 HE2 HIS 40 HE2 HIS 40 -6.714 -11.642 -9.098
276 H SER 41 H SER 41 -0.669 -14.954 -8.360
277 HA SER 41 HA SER 41 1.868 -14.098 -7.380
278 HB2 SER 41 1HB SER 41 2.521 -16.042 -6.131
279 HB3 SER 41 2HB SER 41 0.996 -15.474 -5.453
280 HG SER 41 HG SER 41 0.964 -17.725 -5.767
281 H GLY 42 H GLY 42 3.508 -14.751 -8.703
282 HA2 GLY 42 1HA GLY 42 3.739 -17.034 -10.209
283 HA3 GLY 42 2HA GLY 42 2.771 -15.950 -11.197
284 HA PRO 43 HA PRO 43 7.393 -15.176 -11.761
285 HB2 PRO 43 1HB PRO 43 7.534 -15.934 -14.363
286 HB3 PRO 43 2HB PRO 43 7.787 -17.056 -13.021
287 HG2 PRO 43 1HG PRO 43 5.338 -16.613 -14.685
288 HG3 PRO 43 2HG PRO 43 6.055 -18.138 -14.134
289 HD2 PRO 43 1HD PRO 43 3.915 -17.012 -12.916
290 HD3 PRO 43 2HD PRO 43 5.127 -17.962 -12.031
291 H SER 44 H SER 44 6.910 -12.966 -11.609
292 HA SER 44 HA SER 44 5.352 -11.416 -13.247
293 HB2 SER 44 1HB SER 44 6.553 -9.530 -12.460
294 HB3 SER 44 2HB SER 44 6.670 -10.721 -11.164
295 HG SER 44 HG SER 44 8.693 -9.759 -11.633
296 H SER 45 H SER 45 5.715 -10.154 -15.099
297 HA SER 45 HA SER 45 7.178 -11.430 -17.150
298 HB2 SER 45 1HB SER 45 5.119 -10.005 -17.460
299 HB3 SER 45 2HB SER 45 6.138 -8.590 -17.193
300 HG SER 45 HG SER 45 6.991 -10.435 -19.095
301 H GLY 46 H GLY 46 7.751 -8.413 -15.357
302 HA2 GLY 46 1HA GLY 46 10.313 -8.030 -16.665
303 HA3 GLY 46 2HA GLY 46 9.592 -6.984 -15.450
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -14.884 14.872 -23.122
2 HA2 GLY 1 1HA GLY 1 -15.849 12.921 -21.510
3 HA3 GLY 1 2HA GLY 1 -14.414 12.177 -22.198
4 H SER 2 H SER 2 -15.642 14.544 -19.993
5 HA SER 2 HA SER 2 -12.898 15.000 -19.019
6 HB2 SER 2 1HB SER 2 -13.539 17.088 -19.927
7 HB3 SER 2 2HB SER 2 -15.180 16.952 -19.295
8 HG SER 2 HG SER 2 -12.819 17.266 -17.746
9 H SER 3 H SER 3 -13.004 13.404 -17.455
10 HA SER 3 HA SER 3 -14.824 13.986 -15.217
11 HB2 SER 3 1HB SER 3 -14.974 11.530 -14.796
12 HB3 SER 3 2HB SER 3 -15.704 12.018 -16.325
13 HG SER 3 HG SER 3 -14.325 10.798 -17.322
14 H GLY 4 H GLY 4 -12.235 14.979 -15.420
15 HA2 GLY 4 1HA GLY 4 -11.116 14.469 -12.981
16 HA3 GLY 4 2HA GLY 4 -10.382 13.272 -14.038
17 H SER 5 H SER 5 -10.708 16.692 -13.358
18 HA SER 5 HA SER 5 -8.637 17.335 -15.319
19 HB2 SER 5 1HB SER 5 -10.685 18.750 -15.190
20 HB3 SER 5 2HB SER 5 -10.228 19.206 -13.549
21 HG SER 5 HG SER 5 -9.521 20.444 -15.676
22 H SER 6 H SER 6 -6.854 18.763 -14.663
23 HA SER 6 HA SER 6 -5.674 17.802 -12.195
24 HB2 SER 6 1HB SER 6 -4.223 17.802 -14.105
25 HB3 SER 6 2HB SER 6 -4.596 19.489 -14.461
26 HG SER 6 HG SER 6 -3.554 18.932 -11.943
27 H GLY 7 H GLY 7 -6.178 18.817 -10.366
28 HA2 GLY 7 1HA GLY 7 -5.445 21.071 -9.325
29 HA3 GLY 7 2HA GLY 7 -6.642 21.721 -10.436
30 H THR 8 H THR 8 -7.264 22.461 -8.100
31 HA THR 8 HA THR 8 -8.706 22.359 -6.333
32 HB THR 8 HB THR 8 -10.434 20.448 -7.851
33 HG1 THR 8 HG1 THR 8 -10.202 21.698 -9.553
34 HG21 THR 8 3HG2 THR 8 -12.122 22.257 -7.132
35 HG22 THR 8 1HG2 THR 8 -10.829 22.846 -6.088
36 HG23 THR 8 2HG2 THR 8 -11.448 21.207 -5.885
37 H GLY 9 H GLY 9 -6.656 20.712 -5.829
38 HA2 GLY 9 1HA GLY 9 -7.935 18.616 -4.271
39 HA3 GLY 9 2HA GLY 9 -6.795 18.065 -5.489
40 H GLU 10 H GLU 10 -6.924 18.255 -2.388
41 HA GLU 10 HA GLU 10 -4.362 19.623 -1.964
42 HB2 GLU 10 1HB GLU 10 -6.472 18.678 -0.020
43 HB3 GLU 10 2HB GLU 10 -4.923 19.351 0.471
44 HG2 GLU 10 1HG GLU 10 -5.575 21.389 -0.928
45 HG3 GLU 10 2HG GLU 10 -7.204 20.714 -0.911
46 H LYS 11 H LYS 11 -5.949 16.510 -1.731
47 HA LYS 11 HA LYS 11 -3.374 15.293 -0.975
48 HB2 LYS 11 1HB LYS 11 -6.183 14.274 -0.517
49 HB3 LYS 11 2HB LYS 11 -4.719 13.378 -0.134
50 HG2 LYS 11 1HG LYS 11 -4.122 14.878 1.576
51 HG3 LYS 11 2HG LYS 11 -5.294 16.083 1.035
52 HD2 LYS 11 1HD LYS 11 -5.994 13.366 2.148
53 HD3 LYS 11 2HD LYS 11 -6.018 14.872 3.068
54 HE2 LYS 11 1HE LYS 11 -7.581 15.683 1.138
55 HE3 LYS 11 2HE LYS 11 -7.820 13.958 0.866
56 HZ1 LYS 11 3HZ LYS 11 -9.407 15.185 2.439
57 HZ2 LYS 11 1HZ LYS 11 -8.142 15.111 3.561
58 HZ3 LYS 11 2HZ LYS 11 -8.797 13.685 2.930
59 HA PRO 12 HA PRO 12 -4.228 14.004 -5.336
60 HB2 PRO 12 1HB PRO 12 -1.646 14.236 -6.144
61 HB3 PRO 12 2HB PRO 12 -2.777 15.595 -6.139
62 HG2 PRO 12 1HG PRO 12 -0.672 14.875 -4.136
63 HG3 PRO 12 2HG PRO 12 -1.090 16.466 -4.797
64 HD2 PRO 12 1HD PRO 12 -1.929 15.635 -2.360
65 HD3 PRO 12 2HD PRO 12 -2.893 16.720 -3.383
66 H TYR 13 H TYR 13 -2.167 12.951 -2.781
67 HA TYR 13 HA TYR 13 -1.501 10.461 -4.166
68 HB2 TYR 13 1HB TYR 13 -0.634 11.185 -1.378
69 HB3 TYR 13 2HB TYR 13 0.141 10.094 -2.522
70 HD1 TYR 13 HD1 TYR 13 0.531 11.534 -4.917
71 HD2 TYR 13 HD2 TYR 13 0.694 13.010 -0.930
72 HE1 TYR 13 HE1 TYR 13 2.009 13.354 -5.658
73 HE2 TYR 13 HE2 TYR 13 2.172 14.836 -1.660
74 HH TYR 13 HH TYR 13 3.752 14.857 -4.598
75 H LYS 14 H LYS 14 -2.811 8.784 -3.969
76 HA LYS 14 HA LYS 14 -4.094 8.259 -1.390
77 HB2 LYS 14 1HB LYS 14 -5.637 9.475 -3.075
78 HB3 LYS 14 2HB LYS 14 -5.659 7.943 -3.938
79 HG2 LYS 14 1HG LYS 14 -6.311 6.991 -1.579
80 HG3 LYS 14 2HG LYS 14 -6.831 8.655 -1.299
81 HD2 LYS 14 1HD LYS 14 -8.190 8.519 -3.377
82 HD3 LYS 14 2HD LYS 14 -7.749 6.815 -3.508
83 HE2 LYS 14 1HE LYS 14 -9.762 6.646 -2.424
84 HE3 LYS 14 2HE LYS 14 -8.660 6.717 -1.049
85 HZ1 LYS 14 3HZ LYS 14 -10.775 8.438 -1.650
86 HZ2 LYS 14 1HZ LYS 14 -9.346 9.334 -1.784
87 HZ3 LYS 14 2HZ LYS 14 -9.702 8.521 -0.345
88 H CYS 15 H CYS 15 -4.171 6.142 -0.846
89 HA CYS 15 HA CYS 15 -2.692 4.288 -2.465
90 HB2 CYS 15 1HB CYS 15 -2.547 4.326 0.016
91 HB3 CYS 15 2HB CYS 15 -4.221 3.788 0.097
92 H SER 16 H SER 16 -3.566 3.269 -4.135
93 HA SER 16 HA SER 16 -6.425 2.897 -4.337
94 HB2 SER 16 1HB SER 16 -5.896 1.944 -6.566
95 HB3 SER 16 2HB SER 16 -5.176 3.537 -6.332
96 HG SER 16 HG SER 16 -3.930 1.008 -6.328
97 H ASP 17 H ASP 17 -5.472 1.514 -2.160
98 HA ASP 17 HA ASP 17 -5.916 -1.264 -3.008
99 HB2 ASP 17 1HB ASP 17 -3.897 -0.358 -0.943
100 HB3 ASP 17 2HB ASP 17 -4.302 -2.034 -1.304
101 H CYS 18 H CYS 18 -5.935 1.051 -0.325
102 HA CYS 18 HA CYS 18 -8.113 -0.511 0.902
103 HB2 CYS 18 1HB CYS 18 -7.412 0.615 3.051
104 HB3 CYS 18 2HB CYS 18 -6.252 -0.537 2.396
105 H GLY 19 H GLY 19 -6.850 2.796 0.506
106 HA2 GLY 19 1HA GLY 19 -8.498 4.377 -0.512
107 HA3 GLY 19 2HA GLY 19 -9.640 3.757 0.671
108 H LYS 20 H LYS 20 -6.302 5.017 0.727
109 HA LYS 20 HA LYS 20 -7.150 6.867 2.855
110 HB2 LYS 20 1HB LYS 20 -4.864 4.963 2.783
111 HB3 LYS 20 2HB LYS 20 -4.586 6.533 3.526
112 HG2 LYS 20 1HG LYS 20 -6.098 6.140 5.232
113 HG3 LYS 20 2HG LYS 20 -6.950 4.889 4.324
114 HD2 LYS 20 1HD LYS 20 -5.008 3.411 4.550
115 HD3 LYS 20 2HD LYS 20 -4.163 4.663 5.464
116 HE2 LYS 20 1HE LYS 20 -5.548 4.429 7.307
117 HE3 LYS 20 2HE LYS 20 -6.848 3.702 6.365
118 HZ1 LYS 20 3HZ LYS 20 -4.739 2.433 7.763
119 HZ2 LYS 20 1HZ LYS 20 -4.685 2.002 6.128
120 HZ3 LYS 20 2HZ LYS 20 -6.095 1.741 7.025
121 H ALA 21 H ALA 21 -6.598 8.943 2.571
122 HA ALA 21 HA ALA 21 -4.872 9.586 0.277
123 HB1 ALA 21 3HB ALA 21 -7.080 11.147 1.598
124 HB2 ALA 21 1HB ALA 21 -5.993 11.832 0.391
125 HB3 ALA 21 2HB ALA 21 -7.048 10.484 -0.036
126 H PHE 22 H PHE 22 -3.227 11.100 0.466
127 HA PHE 22 HA PHE 22 -2.615 12.076 3.166
128 HB2 PHE 22 1HB PHE 22 -0.590 10.799 1.317
129 HB3 PHE 22 2HB PHE 22 -0.270 11.459 2.917
130 HD1 PHE 22 HD1 PHE 22 -2.428 8.924 1.242
131 HD2 PHE 22 HD2 PHE 22 -0.224 10.025 4.712
132 HE1 PHE 22 HE1 PHE 22 -2.905 6.725 2.237
133 HE2 PHE 22 HE2 PHE 22 -0.696 7.827 5.713
134 HZ PHE 22 HZ PHE 22 -2.038 6.174 4.476
135 H THR 23 H THR 23 -0.642 13.641 3.003
136 HA THR 23 HA THR 23 -0.971 15.320 0.603
137 HB THR 23 HB THR 23 -0.340 16.595 3.229
138 HG1 THR 23 HG1 THR 23 -2.821 16.863 3.216
139 HG21 THR 23 3HG2 THR 23 -0.258 18.118 1.470
140 HG22 THR 23 1HG2 THR 23 -1.888 18.341 2.104
141 HG23 THR 23 2HG2 THR 23 -1.633 17.387 0.643
142 H ARG 24 H ARG 24 1.098 13.312 1.784
143 HA ARG 24 HA ARG 24 3.416 14.927 1.029
144 HB2 ARG 24 1HB ARG 24 2.979 13.596 3.659
145 HB3 ARG 24 2HB ARG 24 4.597 13.551 2.974
146 HG2 ARG 24 1HG ARG 24 4.694 15.952 2.910
147 HG3 ARG 24 2HG ARG 24 3.013 16.068 3.435
148 HD2 ARG 24 1HD ARG 24 5.130 14.701 5.075
149 HD3 ARG 24 2HD ARG 24 4.799 16.428 5.207
150 HE ARG 24 HE ARG 24 3.226 14.287 6.266
151 HH11 ARG 24 1HH1 ARG 24 3.108 17.546 5.048
152 HH12 ARG 24 2HH1 ARG 24 1.672 17.961 5.924
153 HH21 ARG 24 1HH2 ARG 24 1.335 14.821 7.425
154 HH22 ARG 24 2HH2 ARG 24 0.665 16.410 7.277
155 H LYS 25 H LYS 25 4.739 13.879 -0.317
156 HA LYS 25 HA LYS 25 4.144 11.523 -1.564
157 HB2 LYS 25 1HB LYS 25 6.656 13.075 -1.200
158 HB3 LYS 25 2HB LYS 25 6.799 11.447 -1.851
159 HG2 LYS 25 1HG LYS 25 4.875 13.413 -3.031
160 HG3 LYS 25 2HG LYS 25 6.581 13.416 -3.484
161 HD2 LYS 25 1HD LYS 25 6.116 10.825 -3.801
162 HD3 LYS 25 2HD LYS 25 4.465 11.402 -4.038
163 HE2 LYS 25 1HE LYS 25 6.835 12.527 -5.515
164 HE3 LYS 25 2HE LYS 25 5.871 11.183 -6.124
165 HZ1 LYS 25 3HZ LYS 25 4.917 13.029 -7.111
166 HZ2 LYS 25 1HZ LYS 25 5.076 13.996 -5.731
167 HZ3 LYS 25 2HZ LYS 25 3.908 12.773 -5.777
168 H SER 26 H SER 26 6.227 11.953 1.273
169 HA SER 26 HA SER 26 6.945 9.219 1.505
170 HB2 SER 26 1HB SER 26 7.618 9.882 3.847
171 HB3 SER 26 2HB SER 26 8.341 10.855 2.566
172 HG SER 26 HG SER 26 7.599 12.339 3.956
173 H GLY 27 H GLY 27 4.542 11.214 3.217
174 HA2 GLY 27 1HA GLY 27 3.502 9.510 5.036
175 HA3 GLY 27 2HA GLY 27 2.489 10.583 4.081
176 H LEU 28 H LEU 28 2.876 9.374 1.557
177 HA LEU 28 HA LEU 28 1.117 7.089 1.879
178 HB2 LEU 28 1HB LEU 28 0.432 8.592 0.206
179 HB3 LEU 28 2HB LEU 28 2.053 8.696 -0.477
180 HG LEU 28 HG LEU 28 1.807 6.334 -1.242
181 HD11 LEU 28 1HD1 LEU 28 -0.040 5.091 -0.890
182 HD12 LEU 28 2HD1 LEU 28 -1.124 6.480 -0.958
183 HD13 LEU 28 3HD1 LEU 28 -0.215 6.142 0.515
184 HD21 LEU 28 3HD2 LEU 28 -0.415 8.039 -2.324
185 HD22 LEU 28 1HD2 LEU 28 0.619 6.896 -3.181
186 HD23 LEU 28 2HD2 LEU 28 1.282 8.427 -2.607
187 H HIS 29 H HIS 29 4.206 7.775 0.242
188 HA HIS 29 HA HIS 29 4.845 5.329 -0.761
189 HB2 HIS 29 1HB HIS 29 6.469 7.543 0.390
190 HB3 HIS 29 2HB HIS 29 7.283 6.012 0.081
191 HD2 HIS 29 HD2 HIS 29 5.307 5.676 -2.783
192 HE1 HIS 29 HE1 HIS 29 7.881 8.821 -3.998
193 HE2 HIS 29 HE2 HIS 29 6.195 7.106 -4.746
194 H ILE 30 H ILE 30 5.335 6.397 2.588
195 HA ILE 30 HA ILE 30 6.576 4.067 3.531
196 HB ILE 30 HB ILE 30 4.825 6.001 5.053
197 HG12 ILE 30 1HG1 ILE 30 7.830 5.939 5.057
198 HG13 ILE 30 2HG1 ILE 30 6.953 6.817 3.809
199 HG21 ILE 30 1HG2 ILE 30 6.829 3.982 6.051
200 HG22 ILE 30 2HG2 ILE 30 5.995 5.176 7.044
201 HG23 ILE 30 3HG2 ILE 30 5.078 3.898 6.245
202 HD11 ILE 30 3HD1 ILE 30 6.505 8.508 5.178
203 HD12 ILE 30 1HD1 ILE 30 6.020 7.433 6.490
204 HD13 ILE 30 2HD1 ILE 30 7.725 7.809 6.242
205 H HIS 31 H HIS 31 3.150 5.018 3.556
206 HA HIS 31 HA HIS 31 2.167 2.724 4.836
207 HB2 HIS 31 1HB HIS 31 0.705 4.574 4.706
208 HB3 HIS 31 2HB HIS 31 0.907 4.717 2.962
209 HD1 HIS 31 HD1 HIS 31 -0.670 2.387 5.504
210 HD2 HIS 31 HD2 HIS 31 -0.992 3.427 1.495
211 HE1 HIS 31 HE1 HIS 31 -2.706 1.177 4.656
212 H GLN 32 H GLN 32 2.221 3.502 1.354
213 HA GLN 32 HA GLN 32 1.157 1.281 0.252
214 HB2 GLN 32 1HB GLN 32 3.568 2.861 -0.615
215 HB3 GLN 32 2HB GLN 32 2.923 1.548 -1.589
216 HG2 GLN 32 1HG GLN 32 0.672 2.898 -1.246
217 HG3 GLN 32 2HG GLN 32 1.804 4.233 -1.038
218 HE21 GLN 32 1HE2 GLN 32 0.520 1.873 -3.234
219 HE22 GLN 32 2HE2 GLN 32 1.167 2.564 -4.679
220 H GLN 33 H GLN 33 4.180 1.471 1.952
221 HA GLN 33 HA GLN 33 5.110 -1.112 1.066
222 HB2 GLN 33 1HB GLN 33 6.094 0.812 3.172
223 HB3 GLN 33 2HB GLN 33 6.859 -0.740 2.860
224 HG2 GLN 33 1HG GLN 33 6.443 1.194 0.626
225 HG3 GLN 33 2HG GLN 33 7.785 1.408 1.748
226 HE21 GLN 33 1HE2 GLN 33 7.024 0.209 -1.156
227 HE22 GLN 33 2HE2 GLN 33 8.201 -1.048 -1.297
228 H SER 34 H SER 34 2.549 -1.316 2.113
229 HA SER 34 HA SER 34 3.056 -2.911 4.534
230 HB2 SER 34 1HB SER 34 0.867 -0.916 4.020
231 HB3 SER 34 2HB SER 34 0.612 -2.256 5.138
232 HG SER 34 HG SER 34 2.461 -1.522 6.290
233 H HIS 35 H HIS 35 0.953 -2.361 1.741
234 HA HIS 35 HA HIS 35 -0.383 -4.889 2.013
235 HB2 HIS 35 1HB HIS 35 -0.327 -3.131 -0.440
236 HB3 HIS 35 2HB HIS 35 -1.556 -4.307 0.016
237 HD1 HIS 35 HD1 HIS 35 -2.553 -3.582 2.625
238 HD2 HIS 35 HD2 HIS 35 -1.259 -0.645 -0.013
239 HE1 HIS 35 HE1 HIS 35 -3.654 -1.456 3.394
240 H THR 36 H THR 36 2.242 -3.596 0.046
241 HA THR 36 HA THR 36 2.616 -5.496 -1.858
242 HB THR 36 HB THR 36 4.767 -4.183 -0.187
243 HG1 THR 36 HG1 THR 36 4.853 -2.806 -2.075
244 HG21 THR 36 3HG2 THR 36 6.323 -4.746 -1.938
245 HG22 THR 36 1HG2 THR 36 5.044 -5.495 -2.893
246 HG23 THR 36 2HG2 THR 36 5.555 -6.229 -1.373
247 H GLY 37 H GLY 37 2.316 -7.627 -1.548
248 HA2 GLY 37 1HA GLY 37 4.002 -9.474 -0.810
249 HA3 GLY 37 2HA GLY 37 3.542 -8.910 0.790
250 H GLU 38 H GLU 38 2.687 -10.861 -1.894
251 HA GLU 38 HA GLU 38 0.524 -12.040 -0.376
252 HB2 GLU 38 1HB GLU 38 0.078 -10.543 -2.941
253 HB3 GLU 38 2HB GLU 38 -0.958 -11.894 -2.504
254 HG2 GLU 38 1HG GLU 38 -1.351 -10.688 -0.306
255 HG3 GLU 38 2HG GLU 38 -0.596 -9.288 -1.066
256 H ARG 39 H ARG 39 0.976 -14.132 -0.457
257 HA ARG 39 HA ARG 39 2.743 -15.494 -1.944
258 HB2 ARG 39 1HB ARG 39 0.102 -16.318 -0.810
259 HB3 ARG 39 2HB ARG 39 1.001 -17.462 -1.797
260 HG2 ARG 39 1HG ARG 39 2.897 -17.310 -0.292
261 HG3 ARG 39 2HG ARG 39 2.047 -16.106 0.679
262 HD2 ARG 39 1HD ARG 39 0.213 -17.914 0.889
263 HD3 ARG 39 2HD ARG 39 1.475 -19.029 0.367
264 HE ARG 39 HE ARG 39 2.602 -17.632 2.424
265 HH11 ARG 39 1HH1 ARG 39 -0.276 -19.551 2.032
266 HH12 ARG 39 2HH1 ARG 39 -0.306 -20.079 3.682
267 HH21 ARG 39 1HH2 ARG 39 2.574 -18.321 4.598
268 HH22 ARG 39 2HH2 ARG 39 1.316 -19.379 5.140
269 H HIS 40 H HIS 40 3.001 -16.232 -3.974
270 HA HIS 40 HA HIS 40 1.705 -15.151 -6.135
271 HB2 HIS 40 1HB HIS 40 3.859 -16.416 -6.201
272 HB3 HIS 40 2HB HIS 40 2.938 -17.912 -6.075
273 HD2 HIS 40 HD2 HIS 40 2.968 -14.873 -8.628
274 HE1 HIS 40 HE1 HIS 40 2.262 -18.503 -10.708
275 HE2 HIS 40 HE2 HIS 40 2.666 -16.026 -10.924
276 H SER 41 H SER 41 -0.290 -15.313 -6.891
277 HA SER 41 HA SER 41 -2.012 -17.471 -5.986
278 HB2 SER 41 1HB SER 41 -2.832 -15.136 -5.963
279 HB3 SER 41 2HB SER 41 -2.659 -15.071 -7.717
280 HG SER 41 HG SER 41 -4.232 -17.049 -6.456
281 H GLY 42 H GLY 42 -0.819 -16.140 -9.054
282 HA2 GLY 42 1HA GLY 42 -0.255 -17.407 -10.951
283 HA3 GLY 42 2HA GLY 42 -1.117 -18.776 -10.265
284 HA PRO 43 HA PRO 43 -4.455 -15.863 -12.232
285 HB2 PRO 43 1HB PRO 43 -3.513 -13.892 -13.844
286 HB3 PRO 43 2HB PRO 43 -3.797 -13.665 -12.115
287 HG2 PRO 43 1HG PRO 43 -1.233 -14.218 -13.556
288 HG3 PRO 43 2HG PRO 43 -1.551 -13.076 -12.237
289 HD2 PRO 43 1HD PRO 43 -0.394 -15.490 -11.828
290 HD3 PRO 43 2HD PRO 43 -1.444 -14.718 -10.623
291 H SER 44 H SER 44 -4.790 -17.762 -13.423
292 HA SER 44 HA SER 44 -3.335 -18.242 -15.866
293 HB2 SER 44 1HB SER 44 -4.320 -20.020 -14.283
294 HB3 SER 44 2HB SER 44 -5.869 -19.650 -15.040
295 HG SER 44 HG SER 44 -4.403 -19.979 -17.066
296 H SER 45 H SER 45 -6.745 -17.559 -15.080
297 HA SER 45 HA SER 45 -7.098 -16.590 -17.838
298 HB2 SER 45 1HB SER 45 -8.968 -17.887 -15.882
299 HB3 SER 45 2HB SER 45 -9.613 -16.842 -17.149
300 HG SER 45 HG SER 45 -9.155 -19.308 -17.453
301 H GLY 46 H GLY 46 -7.694 -14.528 -18.214
302 HA2 GLY 46 1HA GLY 46 -7.340 -12.552 -16.272
303 HA3 GLY 46 2HA GLY 46 -8.142 -12.313 -17.817
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -33.969 10.513 5.105
2 HA2 GLY 1 1HA GLY 1 -31.820 9.042 4.619
3 HA3 GLY 1 2HA GLY 1 -32.687 8.813 3.107
4 H SER 2 H SER 2 -30.536 10.772 4.815
5 HA SER 2 HA SER 2 -30.859 12.953 2.860
6 HB2 SER 2 1HB SER 2 -29.766 14.420 4.494
7 HB3 SER 2 2HB SER 2 -31.194 13.661 5.198
8 HG SER 2 HG SER 2 -28.741 13.613 6.131
9 H SER 3 H SER 3 -29.402 12.908 1.296
10 HA SER 3 HA SER 3 -27.007 11.365 1.463
11 HB2 SER 3 1HB SER 3 -28.431 11.937 -0.629
12 HB3 SER 3 2HB SER 3 -27.516 13.444 -0.651
13 HG SER 3 HG SER 3 -26.199 12.218 -1.783
14 H GLY 4 H GLY 4 -27.506 14.867 0.953
15 HA2 GLY 4 1HA GLY 4 -26.236 16.676 1.570
16 HA3 GLY 4 2HA GLY 4 -25.637 15.681 2.889
17 H SER 5 H SER 5 -25.024 16.901 -0.294
18 HA SER 5 HA SER 5 -22.458 15.490 -0.417
19 HB2 SER 5 1HB SER 5 -23.624 15.301 -2.473
20 HB3 SER 5 2HB SER 5 -24.066 17.009 -2.469
21 HG SER 5 HG SER 5 -21.473 15.911 -2.824
22 H SER 6 H SER 6 -20.772 16.484 0.449
23 HA SER 6 HA SER 6 -20.315 19.303 -0.114
24 HB2 SER 6 1HB SER 6 -20.726 18.177 2.641
25 HB3 SER 6 2HB SER 6 -19.666 19.565 2.397
26 HG SER 6 HG SER 6 -21.420 20.705 2.390
27 H GLY 7 H GLY 7 -18.103 19.947 0.941
28 HA2 GLY 7 1HA GLY 7 -15.883 19.336 1.485
29 HA3 GLY 7 2HA GLY 7 -16.238 17.690 0.982
30 H THR 8 H THR 8 -15.030 20.755 0.040
31 HA THR 8 HA THR 8 -14.729 19.821 -2.738
32 HB THR 8 HB THR 8 -14.394 22.170 -3.371
33 HG1 THR 8 HG1 THR 8 -14.480 22.496 -0.597
34 HG21 THR 8 3HG2 THR 8 -16.855 22.641 -1.967
35 HG22 THR 8 1HG2 THR 8 -16.803 20.976 -2.545
36 HG23 THR 8 2HG2 THR 8 -16.597 22.311 -3.679
37 H GLY 9 H GLY 9 -12.785 18.970 -3.094
38 HA2 GLY 9 1HA GLY 9 -10.425 19.694 -3.458
39 HA3 GLY 9 2HA GLY 9 -10.458 20.242 -1.789
40 H GLU 10 H GLU 10 -8.917 18.121 -3.402
41 HA GLU 10 HA GLU 10 -9.230 15.994 -1.393
42 HB2 GLU 10 1HB GLU 10 -8.864 14.294 -3.054
43 HB3 GLU 10 2HB GLU 10 -10.195 15.312 -3.586
44 HG2 GLU 10 1HG GLU 10 -8.625 16.531 -5.053
45 HG3 GLU 10 2HG GLU 10 -7.356 15.405 -4.575
46 H LYS 11 H LYS 11 -7.269 14.594 -1.230
47 HA LYS 11 HA LYS 11 -4.951 16.241 -0.923
48 HB2 LYS 11 1HB LYS 11 -5.038 13.235 -0.705
49 HB3 LYS 11 2HB LYS 11 -3.925 14.345 0.084
50 HG2 LYS 11 1HG LYS 11 -6.827 14.608 0.665
51 HG3 LYS 11 2HG LYS 11 -5.940 13.260 1.379
52 HD2 LYS 11 1HD LYS 11 -4.743 15.976 1.563
53 HD3 LYS 11 2HD LYS 11 -6.131 15.610 2.591
54 HE2 LYS 11 1HE LYS 11 -4.801 13.465 3.187
55 HE3 LYS 11 2HE LYS 11 -3.415 14.348 2.552
56 HZ1 LYS 11 3HZ LYS 11 -4.918 15.967 4.335
57 HZ2 LYS 11 1HZ LYS 11 -3.286 15.525 4.410
58 HZ3 LYS 11 2HZ LYS 11 -4.466 14.522 5.090
59 HA PRO 12 HA PRO 12 -2.993 15.599 -4.809
60 HB2 PRO 12 1HB PRO 12 -0.402 15.944 -4.075
61 HB3 PRO 12 2HB PRO 12 -1.552 17.281 -4.198
62 HG2 PRO 12 1HG PRO 12 -0.633 15.791 -1.770
63 HG3 PRO 12 2HG PRO 12 -0.871 17.535 -1.989
64 HD2 PRO 12 1HD PRO 12 -2.686 15.962 -0.738
65 HD3 PRO 12 2HD PRO 12 -3.151 17.389 -1.687
66 H TYR 13 H TYR 13 -2.695 13.481 -2.213
67 HA TYR 13 HA TYR 13 -1.571 11.428 -3.958
68 HB2 TYR 13 1HB TYR 13 -0.517 11.867 -1.159
69 HB3 TYR 13 2HB TYR 13 0.039 10.673 -2.327
70 HD1 TYR 13 HD1 TYR 13 1.168 11.494 -4.443
71 HD2 TYR 13 HD2 TYR 13 0.407 14.029 -1.112
72 HE1 TYR 13 HE1 TYR 13 2.847 13.086 -5.279
73 HE2 TYR 13 HE2 TYR 13 2.083 15.628 -1.939
74 HH TYR 13 HH TYR 13 3.861 15.031 -4.957
75 H LYS 14 H LYS 14 -2.106 9.291 -3.347
76 HA LYS 14 HA LYS 14 -3.520 8.604 -1.013
77 HB2 LYS 14 1HB LYS 14 -5.272 10.014 -2.048
78 HB3 LYS 14 2HB LYS 14 -5.254 8.970 -3.464
79 HG2 LYS 14 1HG LYS 14 -5.722 7.110 -1.637
80 HG3 LYS 14 2HG LYS 14 -6.382 8.496 -0.764
81 HD2 LYS 14 1HD LYS 14 -7.157 8.139 -3.612
82 HD3 LYS 14 2HD LYS 14 -7.863 7.047 -2.418
83 HE2 LYS 14 1HE LYS 14 -7.861 9.989 -1.906
84 HE3 LYS 14 2HE LYS 14 -9.043 9.305 -3.021
85 HZ1 LYS 14 3HZ LYS 14 -10.020 9.360 -0.877
86 HZ2 LYS 14 1HZ LYS 14 -8.673 8.632 -0.156
87 HZ3 LYS 14 2HZ LYS 14 -9.660 7.740 -1.201
88 H CYS 15 H CYS 15 -4.045 6.388 -0.924
89 HA CYS 15 HA CYS 15 -2.632 4.793 -2.908
90 HB2 CYS 15 1HB CYS 15 -2.031 4.090 -0.776
91 HB3 CYS 15 2HB CYS 15 -3.658 4.301 -0.137
92 H SER 16 H SER 16 -3.589 2.816 -3.759
93 HA SER 16 HA SER 16 -6.448 3.194 -4.329
94 HB2 SER 16 1HB SER 16 -4.225 1.870 -5.876
95 HB3 SER 16 2HB SER 16 -5.921 1.593 -6.268
96 HG SER 16 HG SER 16 -5.057 3.307 -7.492
97 H ASP 17 H ASP 17 -4.057 0.855 -3.258
98 HA ASP 17 HA ASP 17 -5.409 -1.508 -3.282
99 HB2 ASP 17 1HB ASP 17 -3.134 -1.353 -2.456
100 HB3 ASP 17 2HB ASP 17 -3.667 -0.417 -1.063
101 H CYS 18 H CYS 18 -5.512 0.804 -0.565
102 HA CYS 18 HA CYS 18 -8.072 -0.403 0.245
103 HB2 CYS 18 1HB CYS 18 -7.611 0.569 2.482
104 HB3 CYS 18 2HB CYS 18 -6.378 -0.579 1.971
105 H GLY 19 H GLY 19 -6.383 2.692 -0.156
106 HA2 GLY 19 1HA GLY 19 -7.624 4.451 -1.342
107 HA3 GLY 19 2HA GLY 19 -9.033 3.976 -0.407
108 H LYS 20 H LYS 20 -5.659 4.647 0.510
109 HA LYS 20 HA LYS 20 -6.677 6.457 2.585
110 HB2 LYS 20 1HB LYS 20 -5.056 4.444 3.010
111 HB3 LYS 20 2HB LYS 20 -3.825 5.551 2.416
112 HG2 LYS 20 1HG LYS 20 -4.094 7.009 4.204
113 HG3 LYS 20 2HG LYS 20 -5.686 6.365 4.614
114 HD2 LYS 20 1HD LYS 20 -3.195 4.694 4.807
115 HD3 LYS 20 2HD LYS 20 -3.730 5.729 6.133
116 HE2 LYS 20 1HE LYS 20 -6.017 4.502 5.742
117 HE3 LYS 20 2HE LYS 20 -4.991 3.273 5.004
118 HZ1 LYS 20 3HZ LYS 20 -4.380 4.334 7.688
119 HZ2 LYS 20 1HZ LYS 20 -3.911 2.864 6.995
120 HZ3 LYS 20 2HZ LYS 20 -5.512 3.094 7.488
121 H ALA 21 H ALA 21 -6.636 8.552 2.145
122 HA ALA 21 HA ALA 21 -4.907 9.584 0.052
123 HB1 ALA 21 3HB ALA 21 -6.327 11.354 -0.100
124 HB2 ALA 21 1HB ALA 21 -7.430 10.185 0.627
125 HB3 ALA 21 2HB ALA 21 -6.639 11.397 1.635
126 H PHE 22 H PHE 22 -3.177 10.893 0.335
127 HA PHE 22 HA PHE 22 -2.531 11.752 3.072
128 HB2 PHE 22 1HB PHE 22 -0.466 10.709 1.133
129 HB3 PHE 22 2HB PHE 22 -0.252 11.076 2.841
130 HD1 PHE 22 HD2 PHE 22 -1.307 9.612 4.551
131 HD2 PHE 22 HD1 PHE 22 -1.260 8.608 0.416
132 HE1 PHE 22 HE2 PHE 22 -1.812 7.271 5.117
133 HE2 PHE 22 HE1 PHE 22 -1.766 6.266 0.975
134 HZ PHE 22 HZ PHE 22 -2.041 5.594 3.328
135 H THR 23 H THR 23 -1.081 13.573 3.202
136 HA THR 23 HA THR 23 -1.519 15.438 1.009
137 HB THR 23 HB THR 23 -0.555 15.784 3.841
138 HG1 THR 23 HG1 THR 23 -2.869 16.323 2.374
139 HG21 THR 23 3HG2 THR 23 0.064 17.436 1.547
140 HG22 THR 23 1HG2 THR 23 0.642 17.560 3.208
141 HG23 THR 23 2HG2 THR 23 -0.879 18.323 2.744
142 H ARG 24 H ARG 24 1.162 13.986 2.807
143 HA ARG 24 HA ARG 24 3.114 15.295 1.091
144 HB2 ARG 24 1HB ARG 24 3.514 13.341 3.364
145 HB3 ARG 24 2HB ARG 24 4.786 14.231 2.538
146 HG2 ARG 24 1HG ARG 24 3.870 16.331 3.350
147 HG3 ARG 24 2HG ARG 24 2.553 15.462 4.141
148 HD2 ARG 24 1HD ARG 24 5.449 14.926 4.751
149 HD3 ARG 24 2HD ARG 24 4.512 16.152 5.604
150 HE ARG 24 HE ARG 24 4.281 13.280 5.867
151 HH11 ARG 24 1HH1 ARG 24 2.821 16.387 6.443
152 HH12 ARG 24 2HH1 ARG 24 1.795 15.815 7.717
153 HH21 ARG 24 1HH2 ARG 24 2.936 12.514 7.542
154 HH22 ARG 24 2HH2 ARG 24 1.862 13.611 8.342
155 H LYS 25 H LYS 25 5.013 13.747 0.434
156 HA LYS 25 HA LYS 25 3.850 11.800 -1.354
157 HB2 LYS 25 1HB LYS 25 6.727 12.634 -0.936
158 HB3 LYS 25 2HB LYS 25 6.159 11.571 -2.217
159 HG2 LYS 25 1HG LYS 25 6.365 13.646 -3.245
160 HG3 LYS 25 2HG LYS 25 4.639 13.511 -2.901
161 HD2 LYS 25 1HD LYS 25 4.723 15.073 -1.200
162 HD3 LYS 25 2HD LYS 25 6.445 14.817 -0.910
163 HE2 LYS 25 1HE LYS 25 5.611 15.902 -3.549
164 HE3 LYS 25 2HE LYS 25 5.537 16.974 -2.151
165 HZ1 LYS 25 3HZ LYS 25 7.905 15.616 -3.289
166 HZ2 LYS 25 1HZ LYS 25 7.911 16.256 -1.723
167 HZ3 LYS 25 2HZ LYS 25 7.658 17.272 -3.051
168 H SER 26 H SER 26 6.149 11.778 1.350
169 HA SER 26 HA SER 26 6.756 9.055 1.329
170 HB2 SER 26 1HB SER 26 6.847 11.214 3.387
171 HB3 SER 26 2HB SER 26 7.023 9.546 3.930
172 HG SER 26 HG SER 26 9.041 10.475 3.421
173 H GLY 27 H GLY 27 4.266 10.786 3.202
174 HA2 GLY 27 1HA GLY 27 3.129 8.898 4.720
175 HA3 GLY 27 2HA GLY 27 2.149 10.028 3.797
176 H LEU 28 H LEU 28 2.669 9.109 1.211
177 HA LEU 28 HA LEU 28 0.943 6.807 1.156
178 HB2 LEU 28 1HB LEU 28 0.518 8.431 -0.494
179 HB3 LEU 28 2HB LEU 28 2.216 8.518 -0.957
180 HG LEU 28 HG LEU 28 1.982 6.173 -1.846
181 HD11 LEU 28 1HD1 LEU 28 -0.887 6.741 -1.174
182 HD12 LEU 28 2HD1 LEU 28 0.084 5.325 -0.772
183 HD13 LEU 28 3HD1 LEU 28 -0.432 5.596 -2.437
184 HD21 LEU 28 3HD2 LEU 28 2.057 7.835 -3.471
185 HD22 LEU 28 1HD2 LEU 28 0.507 8.521 -2.982
186 HD23 LEU 28 2HD2 LEU 28 0.558 6.979 -3.837
187 H HIS 29 H HIS 29 4.280 7.515 0.172
188 HA HIS 29 HA HIS 29 4.967 5.070 -0.923
189 HB2 HIS 29 1HB HIS 29 6.640 7.015 0.672
190 HB3 HIS 29 2HB HIS 29 7.314 5.629 -0.181
191 HD2 HIS 29 HD2 HIS 29 4.556 7.596 -2.053
192 HE1 HIS 29 HE1 HIS 29 8.299 8.660 -3.743
193 HE2 HIS 29 HE2 HIS 29 5.798 8.898 -3.912
194 H ILE 30 H ILE 30 5.337 6.093 2.470
195 HA ILE 30 HA ILE 30 6.287 3.612 3.411
196 HB ILE 30 HB ILE 30 4.828 5.775 4.933
197 HG12 ILE 30 1HG1 ILE 30 7.801 5.266 4.795
198 HG13 ILE 30 2HG1 ILE 30 6.979 6.397 3.726
199 HG21 ILE 30 1HG2 ILE 30 6.188 4.725 6.856
200 HG22 ILE 30 2HG2 ILE 30 4.716 3.915 6.320
201 HG23 ILE 30 3HG2 ILE 30 6.292 3.313 5.805
202 HD11 ILE 30 3HD1 ILE 30 7.808 6.706 6.486
203 HD12 ILE 30 1HD1 ILE 30 7.399 7.925 5.279
204 HD13 ILE 30 2HD1 ILE 30 6.123 7.157 6.225
205 H HIS 31 H HIS 31 3.031 4.999 3.263
206 HA HIS 31 HA HIS 31 1.680 2.976 4.645
207 HB2 HIS 31 1HB HIS 31 0.391 4.874 4.299
208 HB3 HIS 31 2HB HIS 31 0.870 5.017 2.610
209 HD1 HIS 31 HD1 HIS 31 -1.440 3.045 4.845
210 HD2 HIS 31 HD2 HIS 31 -0.800 3.777 0.805
211 HE1 HIS 31 HE1 HIS 31 -3.415 2.038 3.658
212 H GLN 32 H GLN 32 2.618 3.245 1.260
213 HA GLN 32 HA GLN 32 1.175 0.976 0.356
214 HB2 GLN 32 1HB GLN 32 3.390 2.657 -0.740
215 HB3 GLN 32 2HB GLN 32 3.029 1.119 -1.511
216 HG2 GLN 32 1HG GLN 32 0.598 1.977 -1.563
217 HG3 GLN 32 2HG GLN 32 1.321 3.559 -1.282
218 HE21 GLN 32 1HE2 GLN 32 0.668 1.102 -3.552
219 HE22 GLN 32 2HE2 GLN 32 1.414 1.845 -4.921
220 H GLN 33 H GLN 33 4.431 1.450 1.612
221 HA GLN 33 HA GLN 33 5.182 -1.298 1.128
222 HB2 GLN 33 1HB GLN 33 6.573 0.952 2.586
223 HB3 GLN 33 2HB GLN 33 7.263 -0.651 2.366
224 HG2 GLN 33 1HG GLN 33 6.467 1.210 0.139
225 HG3 GLN 33 2HG GLN 33 8.107 0.991 0.746
226 HE21 GLN 33 1HE2 GLN 33 5.631 -0.233 -1.268
227 HE22 GLN 33 2HE2 GLN 33 6.492 -1.598 -1.884
228 H SER 34 H SER 34 2.861 -1.003 2.730
229 HA SER 34 HA SER 34 3.830 -2.210 5.232
230 HB2 SER 34 1HB SER 34 2.389 -0.969 6.563
231 HB3 SER 34 2HB SER 34 2.848 0.225 5.349
232 HG SER 34 HG SER 34 0.909 -0.242 4.253
233 H HIS 35 H HIS 35 1.118 -1.856 2.980
234 HA HIS 35 HA HIS 35 -0.686 -3.666 3.866
235 HB2 HIS 35 1HB HIS 35 0.264 -3.196 1.040
236 HB3 HIS 35 2HB HIS 35 -1.120 -4.216 1.421
237 HD1 HIS 35 HD1 HIS 35 -2.549 -2.528 3.505
238 HD2 HIS 35 HD2 HIS 35 -0.888 -0.957 0.036
239 HE1 HIS 35 HE1 HIS 35 -3.772 -0.369 3.092
240 H THR 36 H THR 36 2.429 -4.378 2.426
241 HA THR 36 HA THR 36 2.285 -6.999 1.741
242 HB THR 36 HB THR 36 4.638 -7.257 2.535
243 HG1 THR 36 HG1 THR 36 4.087 -4.697 3.644
244 HG21 THR 36 3HG2 THR 36 4.834 -4.633 1.301
245 HG22 THR 36 1HG2 THR 36 3.644 -5.659 0.502
246 HG23 THR 36 2HG2 THR 36 5.310 -6.211 0.675
247 H GLY 37 H GLY 37 1.183 -8.544 2.782
248 HA2 GLY 37 1HA GLY 37 2.065 -9.319 5.436
249 HA3 GLY 37 2HA GLY 37 0.389 -8.801 5.331
250 H GLU 38 H GLU 38 -0.910 -9.925 3.581
251 HA GLU 38 HA GLU 38 -0.852 -12.706 4.055
252 HB2 GLU 38 1HB GLU 38 -2.928 -11.549 3.541
253 HB3 GLU 38 2HB GLU 38 -2.323 -11.114 1.949
254 HG2 GLU 38 1HG GLU 38 -3.678 -12.903 1.472
255 HG3 GLU 38 2HG GLU 38 -2.099 -13.673 1.613
256 H ARG 39 H ARG 39 -0.321 -14.432 2.716
257 HA ARG 39 HA ARG 39 1.987 -14.171 1.162
258 HB2 ARG 39 1HB ARG 39 -0.067 -16.367 1.363
259 HB3 ARG 39 2HB ARG 39 1.364 -16.511 0.352
260 HG2 ARG 39 1HG ARG 39 1.444 -15.961 3.309
261 HG3 ARG 39 2HG ARG 39 1.567 -17.569 2.593
262 HD2 ARG 39 1HD ARG 39 3.426 -15.264 2.020
263 HD3 ARG 39 2HD ARG 39 3.766 -16.585 3.136
264 HE ARG 39 HE ARG 39 3.271 -17.918 0.880
265 HH11 ARG 39 1HH1 ARG 39 5.247 -15.119 1.497
266 HH12 ARG 39 2HH1 ARG 39 6.376 -15.476 0.232
267 HH21 ARG 39 1HH2 ARG 39 4.750 -18.398 -0.789
268 HH22 ARG 39 2HH2 ARG 39 6.092 -17.341 -1.068
269 H HIS 40 H HIS 40 2.325 -14.448 -1.097
270 HA HIS 40 HA HIS 40 1.901 -14.181 -3.324
271 HB2 HIS 40 1HB HIS 40 -0.210 -15.604 -2.607
272 HB3 HIS 40 2HB HIS 40 -1.056 -14.088 -2.903
273 HD2 HIS 40 HD2 HIS 40 -2.272 -15.407 -5.135
274 HE1 HIS 40 HE1 HIS 40 1.260 -15.329 -7.483
275 HE2 HIS 40 HE2 HIS 40 -1.239 -15.639 -7.495
276 H SER 41 H SER 41 2.405 -11.978 -1.716
277 HA SER 41 HA SER 41 0.520 -9.880 -2.194
278 HB2 SER 41 1HB SER 41 2.193 -8.410 -1.222
279 HB3 SER 41 2HB SER 41 2.094 -9.888 -0.266
280 HG SER 41 HG SER 41 4.050 -9.260 -2.226
281 H GLY 42 H GLY 42 0.214 -8.835 -4.040
282 HA2 GLY 42 1HA GLY 42 1.129 -7.406 -5.768
283 HA3 GLY 42 2HA GLY 42 2.515 -8.484 -5.852
284 HA PRO 43 HA PRO 43 -1.133 -10.858 -7.963
285 HB2 PRO 43 1HB PRO 43 -3.425 -9.460 -8.367
286 HB3 PRO 43 2HB PRO 43 -3.124 -10.411 -6.908
287 HG2 PRO 43 1HG PRO 43 -2.841 -7.462 -7.339
288 HG3 PRO 43 2HG PRO 43 -3.537 -8.329 -5.957
289 HD2 PRO 43 1HD PRO 43 -1.030 -7.305 -5.922
290 HD3 PRO 43 2HD PRO 43 -1.471 -8.781 -5.040
291 H SER 44 H SER 44 -0.758 -7.410 -8.554
292 HA SER 44 HA SER 44 -0.510 -7.994 -11.428
293 HB2 SER 44 1HB SER 44 -1.976 -5.701 -10.118
294 HB3 SER 44 2HB SER 44 -1.473 -5.664 -11.808
295 HG SER 44 HG SER 44 -3.636 -6.434 -11.493
296 H SER 45 H SER 45 1.460 -7.539 -12.121
297 HA SER 45 HA SER 45 2.875 -5.232 -10.970
298 HB2 SER 45 1HB SER 45 3.718 -7.406 -10.021
299 HB3 SER 45 2HB SER 45 4.211 -7.860 -11.652
300 HG SER 45 HG SER 45 5.982 -6.932 -10.776
301 H GLY 46 H GLY 46 2.965 -3.819 -12.598
302 HA2 GLY 46 1HA GLY 46 4.595 -3.811 -14.703
303 HA3 GLY 46 2HA GLY 46 3.255 -4.751 -15.343
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -28.561 14.135 -10.546
2 HA2 GLY 1 1HA GLY 1 -25.889 14.541 -10.150
3 HA3 GLY 1 2HA GLY 1 -27.120 15.681 -9.629
4 H SER 2 H SER 2 -24.974 15.773 -8.153
5 HA SER 2 HA SER 2 -25.736 14.373 -5.685
6 HB2 SER 2 1HB SER 2 -22.943 14.642 -6.813
7 HB3 SER 2 2HB SER 2 -23.284 14.152 -5.153
8 HG SER 2 HG SER 2 -23.675 12.767 -7.542
9 H SER 3 H SER 3 -26.504 16.953 -6.343
10 HA SER 3 HA SER 3 -26.529 19.094 -5.569
11 HB2 SER 3 1HB SER 3 -26.488 17.571 -3.399
12 HB3 SER 3 2HB SER 3 -24.908 18.323 -3.180
13 HG SER 3 HG SER 3 -26.114 20.371 -3.529
14 H GLY 4 H GLY 4 -24.507 18.578 -7.389
15 HA2 GLY 4 1HA GLY 4 -22.788 19.900 -8.244
16 HA3 GLY 4 2HA GLY 4 -22.635 20.673 -6.674
17 H SER 5 H SER 5 -20.308 20.291 -7.593
18 HA SER 5 HA SER 5 -19.083 17.817 -7.609
19 HB2 SER 5 1HB SER 5 -18.102 20.575 -6.950
20 HB3 SER 5 2HB SER 5 -17.025 19.191 -6.761
21 HG SER 5 HG SER 5 -17.941 18.764 -9.063
22 H SER 6 H SER 6 -18.013 16.561 -6.082
23 HA SER 6 HA SER 6 -18.760 17.109 -3.283
24 HB2 SER 6 1HB SER 6 -18.496 14.484 -4.755
25 HB3 SER 6 2HB SER 6 -18.601 14.593 -2.998
26 HG SER 6 HG SER 6 -20.668 14.861 -3.187
27 H GLY 7 H GLY 7 -16.909 18.149 -2.628
28 HA2 GLY 7 1HA GLY 7 -14.877 17.148 -1.388
29 HA3 GLY 7 2HA GLY 7 -14.356 16.738 -3.016
30 H THR 8 H THR 8 -14.322 19.078 -0.592
31 HA THR 8 HA THR 8 -13.534 21.200 -2.467
32 HB THR 8 HB THR 8 -15.266 21.900 -0.932
33 HG1 THR 8 HG1 THR 8 -14.088 23.649 0.082
34 HG21 THR 8 3HG2 THR 8 -13.946 21.959 1.566
35 HG22 THR 8 1HG2 THR 8 -13.790 20.318 0.940
36 HG23 THR 8 2HG2 THR 8 -15.387 21.046 1.121
37 H GLY 9 H GLY 9 -11.446 20.255 -2.852
38 HA2 GLY 9 1HA GLY 9 -9.164 20.822 -2.435
39 HA3 GLY 9 2HA GLY 9 -9.543 20.947 -0.723
40 H GLU 10 H GLU 10 -9.661 18.499 -3.316
41 HA GLU 10 HA GLU 10 -9.284 16.340 -1.478
42 HB2 GLU 10 1HB GLU 10 -9.078 16.415 -4.494
43 HB3 GLU 10 2HB GLU 10 -9.075 14.952 -3.520
44 HG2 GLU 10 1HG GLU 10 -11.324 16.924 -3.822
45 HG3 GLU 10 2HG GLU 10 -11.259 15.275 -4.441
46 H LYS 11 H LYS 11 -7.476 14.892 -1.428
47 HA LYS 11 HA LYS 11 -4.957 16.297 -1.494
48 HB2 LYS 11 1HB LYS 11 -5.879 13.622 -0.516
49 HB3 LYS 11 2HB LYS 11 -4.159 13.908 -0.747
50 HG2 LYS 11 1HG LYS 11 -4.434 14.449 1.467
51 HG3 LYS 11 2HG LYS 11 -4.589 16.028 0.694
52 HD2 LYS 11 1HD LYS 11 -6.950 15.995 0.894
53 HD3 LYS 11 2HD LYS 11 -6.959 14.284 1.328
54 HE2 LYS 11 1HE LYS 11 -7.224 15.239 3.394
55 HE3 LYS 11 2HE LYS 11 -5.467 15.112 3.324
56 HZ1 LYS 11 3HZ LYS 11 -7.088 17.435 3.522
57 HZ2 LYS 11 1HZ LYS 11 -6.079 17.533 2.168
58 HZ3 LYS 11 2HZ LYS 11 -5.413 17.282 3.702
59 HA PRO 12 HA PRO 12 -3.491 14.909 -5.396
60 HB2 PRO 12 1HB PRO 12 -0.821 14.823 -4.915
61 HB3 PRO 12 2HB PRO 12 -1.718 16.336 -5.089
62 HG2 PRO 12 1HG PRO 12 -0.846 14.928 -2.596
63 HG3 PRO 12 2HG PRO 12 -0.787 16.657 -2.983
64 HD2 PRO 12 1HD PRO 12 -2.722 15.578 -1.427
65 HD3 PRO 12 2HD PRO 12 -3.015 16.974 -2.484
66 H TYR 13 H TYR 13 -2.099 13.241 -2.580
67 HA TYR 13 HA TYR 13 -1.638 10.848 -4.175
68 HB2 TYR 13 1HB TYR 13 -1.110 11.188 -1.225
69 HB3 TYR 13 2HB TYR 13 -0.397 10.012 -2.322
70 HD1 TYR 13 HD1 TYR 13 1.090 10.931 -4.216
71 HD2 TYR 13 HD2 TYR 13 -0.016 13.202 -0.793
72 HE1 TYR 13 HE1 TYR 13 2.984 12.448 -4.618
73 HE2 TYR 13 HE2 TYR 13 1.874 14.726 -1.186
74 HH TYR 13 HH TYR 13 4.179 14.528 -2.382
75 H LYS 14 H LYS 14 -2.562 8.833 -3.720
76 HA LYS 14 HA LYS 14 -4.512 8.463 -1.673
77 HB2 LYS 14 1HB LYS 14 -5.872 9.826 -3.168
78 HB3 LYS 14 2HB LYS 14 -5.491 8.765 -4.518
79 HG2 LYS 14 1HG LYS 14 -7.661 8.187 -3.814
80 HG3 LYS 14 2HG LYS 14 -6.598 6.909 -3.220
81 HD2 LYS 14 1HD LYS 14 -6.515 8.450 -1.079
82 HD3 LYS 14 2HD LYS 14 -8.055 9.030 -1.718
83 HE2 LYS 14 1HE LYS 14 -7.408 6.124 -1.253
84 HE3 LYS 14 2HE LYS 14 -8.238 7.146 -0.081
85 HZ1 LYS 14 3HZ LYS 14 -9.440 7.302 -2.662
86 HZ2 LYS 14 1HZ LYS 14 -10.142 6.919 -1.172
87 HZ3 LYS 14 2HZ LYS 14 -9.405 5.708 -2.095
88 H CYS 15 H CYS 15 -4.099 6.439 -1.108
89 HA CYS 15 HA CYS 15 -2.874 4.550 -2.838
90 HB2 CYS 15 1HB CYS 15 -2.415 4.359 -0.510
91 HB3 CYS 15 2HB CYS 15 -4.128 4.314 -0.105
92 H SER 16 H SER 16 -3.703 2.817 -3.925
93 HA SER 16 HA SER 16 -6.618 2.800 -4.259
94 HB2 SER 16 1HB SER 16 -5.569 3.084 -6.358
95 HB3 SER 16 2HB SER 16 -4.346 1.863 -6.006
96 HG SER 16 HG SER 16 -6.818 1.570 -7.085
97 H ASP 17 H ASP 17 -3.992 0.951 -3.038
98 HA ASP 17 HA ASP 17 -4.956 -1.653 -3.246
99 HB2 ASP 17 1HB ASP 17 -2.698 -0.685 -2.295
100 HB3 ASP 17 2HB ASP 17 -3.548 -0.780 -0.754
101 H CYS 18 H CYS 18 -5.346 0.617 -0.522
102 HA CYS 18 HA CYS 18 -7.685 -0.961 0.330
103 HB2 CYS 18 1HB CYS 18 -7.274 -0.107 2.600
104 HB3 CYS 18 2HB CYS 18 -5.883 -0.992 1.984
105 H GLY 19 H GLY 19 -6.374 2.338 0.134
106 HA2 GLY 19 1HA GLY 19 -7.868 3.978 -0.976
107 HA3 GLY 19 2HA GLY 19 -9.162 3.314 0.010
108 H LYS 20 H LYS 20 -6.047 4.994 0.217
109 HA LYS 20 HA LYS 20 -7.108 6.499 2.502
110 HB2 LYS 20 1HB LYS 20 -5.405 4.539 3.021
111 HB3 LYS 20 2HB LYS 20 -4.220 5.736 2.516
112 HG2 LYS 20 1HG LYS 20 -4.713 7.156 4.285
113 HG3 LYS 20 2HG LYS 20 -6.281 6.401 4.580
114 HD2 LYS 20 1HD LYS 20 -5.346 4.583 5.667
115 HD3 LYS 20 2HD LYS 20 -3.771 4.807 4.901
116 HE2 LYS 20 1HE LYS 20 -3.461 6.867 6.228
117 HE3 LYS 20 2HE LYS 20 -4.998 6.555 7.032
118 HZ1 LYS 20 3HZ LYS 20 -2.439 5.474 7.594
119 HZ2 LYS 20 1HZ LYS 20 -3.538 4.230 7.268
120 HZ3 LYS 20 2HZ LYS 20 -3.869 5.352 8.489
121 H ALA 21 H ALA 21 -6.452 8.625 2.633
122 HA ALA 21 HA ALA 21 -4.977 9.627 0.292
123 HB1 ALA 21 3HB ALA 21 -7.457 10.323 1.029
124 HB2 ALA 21 1HB ALA 21 -6.534 11.515 1.945
125 HB3 ALA 21 2HB ALA 21 -6.355 11.417 0.193
126 H PHE 22 H PHE 22 -3.384 11.215 0.549
127 HA PHE 22 HA PHE 22 -2.517 11.799 3.287
128 HB2 PHE 22 1HB PHE 22 -0.528 10.982 1.177
129 HB3 PHE 22 2HB PHE 22 -0.279 11.131 2.913
130 HD1 PHE 22 HD2 PHE 22 -1.284 9.447 4.444
131 HD2 PHE 22 HD1 PHE 22 -1.311 8.978 0.214
132 HE1 PHE 22 HE2 PHE 22 -1.750 7.046 4.716
133 HE2 PHE 22 HE1 PHE 22 -1.778 6.577 0.479
134 HZ PHE 22 HZ PHE 22 -1.997 5.608 2.732
135 H THR 23 H THR 23 -0.672 13.457 3.233
136 HA THR 23 HA THR 23 -1.348 15.494 1.217
137 HB THR 23 HB THR 23 -0.115 15.963 3.936
138 HG1 THR 23 HG1 THR 23 -2.134 15.427 4.475
139 HG21 THR 23 3HG2 THR 23 -0.182 17.604 1.726
140 HG22 THR 23 1HG2 THR 23 0.003 18.136 3.396
141 HG23 THR 23 2HG2 THR 23 -1.593 18.124 2.647
142 H ARG 24 H ARG 24 1.303 13.907 2.908
143 HA ARG 24 HA ARG 24 3.249 15.315 1.233
144 HB2 ARG 24 1HB ARG 24 3.722 13.438 3.556
145 HB3 ARG 24 2HB ARG 24 4.943 14.398 2.730
146 HG2 ARG 24 1HG ARG 24 4.012 16.430 3.555
147 HG3 ARG 24 2HG ARG 24 2.600 15.586 4.194
148 HD2 ARG 24 1HD ARG 24 5.308 14.765 5.124
149 HD3 ARG 24 2HD ARG 24 4.614 16.259 5.752
150 HE ARG 24 HE ARG 24 2.617 14.514 6.138
151 HH11 ARG 24 1HH1 ARG 24 6.017 14.352 6.869
152 HH12 ARG 24 2HH1 ARG 24 5.804 13.330 8.252
153 HH21 ARG 24 1HH2 ARG 24 2.323 13.168 7.956
154 HH22 ARG 24 2HH2 ARG 24 3.703 12.657 8.869
155 H LYS 25 H LYS 25 5.067 13.990 0.351
156 HA LYS 25 HA LYS 25 4.029 11.916 -1.294
157 HB2 LYS 25 1HB LYS 25 5.770 13.331 -2.157
158 HB3 LYS 25 2HB LYS 25 6.842 12.910 -0.829
159 HG2 LYS 25 1HG LYS 25 7.691 11.601 -2.496
160 HG3 LYS 25 2HG LYS 25 6.544 10.481 -1.757
161 HD2 LYS 25 1HD LYS 25 6.113 10.273 -4.037
162 HD3 LYS 25 2HD LYS 25 4.867 11.396 -3.486
163 HE2 LYS 25 1HE LYS 25 7.467 12.465 -4.490
164 HE3 LYS 25 2HE LYS 25 6.261 11.902 -5.646
165 HZ1 LYS 25 3HZ LYS 25 5.415 13.940 -5.456
166 HZ2 LYS 25 1HZ LYS 25 6.291 14.290 -4.052
167 HZ3 LYS 25 2HZ LYS 25 4.826 13.452 -3.947
168 H SER 26 H SER 26 6.468 11.908 1.305
169 HA SER 26 HA SER 26 6.974 9.179 1.357
170 HB2 SER 26 1HB SER 26 7.175 11.364 3.392
171 HB3 SER 26 2HB SER 26 7.411 9.694 3.906
172 HG SER 26 HG SER 26 9.394 10.479 3.311
173 H GLY 27 H GLY 27 4.599 11.023 3.268
174 HA2 GLY 27 1HA GLY 27 3.488 9.208 4.895
175 HA3 GLY 27 2HA GLY 27 2.496 10.333 3.979
176 H LEU 28 H LEU 28 2.981 9.280 1.396
177 HA LEU 28 HA LEU 28 1.165 7.040 1.477
178 HB2 LEU 28 1HB LEU 28 0.654 8.494 -0.245
179 HB3 LEU 28 2HB LEU 28 2.347 8.752 -0.664
180 HG LEU 28 HG LEU 28 2.337 6.355 -1.521
181 HD11 LEU 28 1HD1 LEU 28 0.172 5.822 -0.318
182 HD12 LEU 28 2HD1 LEU 28 0.288 5.298 -1.997
183 HD13 LEU 28 3HD1 LEU 28 -0.642 6.739 -1.586
184 HD21 LEU 28 3HD2 LEU 28 2.387 7.608 -3.366
185 HD22 LEU 28 1HD2 LEU 28 1.257 8.786 -2.697
186 HD23 LEU 28 2HD2 LEU 28 0.649 7.322 -3.471
187 H HIS 29 H HIS 29 4.421 7.606 0.142
188 HA HIS 29 HA HIS 29 5.042 5.144 -0.830
189 HB2 HIS 29 1HB HIS 29 6.475 7.352 -0.524
190 HB3 HIS 29 2HB HIS 29 7.112 6.472 0.863
191 HD2 HIS 29 HD2 HIS 29 6.526 5.273 -2.878
192 HE1 HIS 29 HE1 HIS 29 10.448 4.249 -1.625
193 HE2 HIS 29 HE2 HIS 29 8.796 4.216 -3.526
194 H ILE 30 H ILE 30 5.600 6.159 2.544
195 HA ILE 30 HA ILE 30 6.469 3.676 3.492
196 HB ILE 30 HB ILE 30 4.991 5.803 5.046
197 HG12 ILE 30 1HG1 ILE 30 7.977 5.431 4.832
198 HG13 ILE 30 2HG1 ILE 30 7.083 6.512 3.769
199 HG21 ILE 30 1HG2 ILE 30 5.664 3.261 5.844
200 HG22 ILE 30 2HG2 ILE 30 7.017 4.231 6.426
201 HG23 ILE 30 3HG2 ILE 30 5.370 4.634 6.911
202 HD11 ILE 30 3HD1 ILE 30 7.610 6.742 6.694
203 HD12 ILE 30 1HD1 ILE 30 7.832 7.934 5.413
204 HD13 ILE 30 2HD1 ILE 30 6.209 7.540 5.980
205 H HIS 31 H HIS 31 3.230 5.023 3.167
206 HA HIS 31 HA HIS 31 1.860 3.019 4.606
207 HB2 HIS 31 1HB HIS 31 0.678 5.027 4.199
208 HB3 HIS 31 2HB HIS 31 1.003 4.963 2.469
209 HD1 HIS 31 HD1 HIS 31 -1.084 3.239 5.109
210 HD2 HIS 31 HD2 HIS 31 -0.900 3.671 0.981
211 HE1 HIS 31 HE1 HIS 31 -3.194 2.191 4.228
212 H GLN 32 H GLN 32 2.902 3.265 1.261
213 HA GLN 32 HA GLN 32 1.437 1.019 0.316
214 HB2 GLN 32 1HB GLN 32 3.830 2.504 -0.757
215 HB3 GLN 32 2HB GLN 32 3.120 1.129 -1.593
216 HG2 GLN 32 1HG GLN 32 0.912 2.508 -1.352
217 HG3 GLN 32 2HG GLN 32 2.024 3.862 -1.165
218 HE21 GLN 32 1HE2 GLN 32 0.517 1.724 -3.330
219 HE22 GLN 32 2HE2 GLN 32 1.286 2.268 -4.777
220 H GLN 33 H GLN 33 4.268 1.347 2.186
221 HA GLN 33 HA GLN 33 5.579 -1.060 1.409
222 HB2 GLN 33 1HB GLN 33 5.802 0.627 3.904
223 HB3 GLN 33 2HB GLN 33 6.840 -0.749 3.553
224 HG2 GLN 33 1HG GLN 33 7.525 0.412 1.450
225 HG3 GLN 33 2HG GLN 33 6.633 1.824 2.014
226 HE21 GLN 33 1HE2 GLN 33 9.446 -0.143 2.423
227 HE22 GLN 33 2HE2 GLN 33 10.276 0.903 3.520
228 H SER 34 H SER 34 2.795 -0.434 3.219
229 HA SER 34 HA SER 34 2.997 -2.957 4.700
230 HB2 SER 34 1HB SER 34 1.026 -0.672 4.945
231 HB3 SER 34 2HB SER 34 0.984 -2.143 5.918
232 HG SER 34 HG SER 34 3.200 -1.549 6.536
233 H HIS 35 H HIS 35 2.480 -2.666 1.771
234 HA HIS 35 HA HIS 35 -0.088 -4.111 1.694
235 HB2 HIS 35 1HB HIS 35 1.034 -2.083 -0.231
236 HB3 HIS 35 2HB HIS 35 -0.211 -3.230 -0.718
237 HD1 HIS 35 HD1 HIS 35 -1.955 -3.126 1.846
238 HD2 HIS 35 HD2 HIS 35 -0.454 0.205 -0.132
239 HE1 HIS 35 HE1 HIS 35 -3.472 -1.224 2.484
240 H THR 36 H THR 36 2.561 -5.212 2.054
241 HA THR 36 HA THR 36 3.811 -6.189 -0.191
242 HB THR 36 HB THR 36 4.510 -8.133 1.174
243 HG1 THR 36 HG1 THR 36 2.766 -7.033 3.146
244 HG21 THR 36 3HG2 THR 36 6.025 -6.628 1.837
245 HG22 THR 36 1HG2 THR 36 5.036 -6.400 3.278
246 HG23 THR 36 2HG2 THR 36 4.825 -5.337 1.887
247 H GLY 37 H GLY 37 1.088 -7.688 1.556
248 HA2 GLY 37 1HA GLY 37 -0.261 -8.579 -0.710
249 HA3 GLY 37 2HA GLY 37 0.815 -9.879 -0.219
250 H GLU 38 H GLU 38 -2.221 -8.541 0.178
251 HA GLU 38 HA GLU 38 -2.610 -9.917 2.752
252 HB2 GLU 38 1HB GLU 38 -3.115 -7.380 2.453
253 HB3 GLU 38 2HB GLU 38 -4.557 -7.937 1.615
254 HG2 GLU 38 1HG GLU 38 -5.512 -8.771 3.512
255 HG3 GLU 38 2HG GLU 38 -3.962 -9.066 4.296
256 H ARG 39 H ARG 39 -2.774 -11.940 1.579
257 HA ARG 39 HA ARG 39 -5.451 -12.690 1.090
258 HB2 ARG 39 1HB ARG 39 -5.222 -11.581 -1.028
259 HB3 ARG 39 2HB ARG 39 -3.677 -12.365 -1.330
260 HG2 ARG 39 1HG ARG 39 -5.253 -13.478 -2.675
261 HG3 ARG 39 2HG ARG 39 -4.923 -14.557 -1.319
262 HD2 ARG 39 1HD ARG 39 -7.294 -14.515 -1.733
263 HD3 ARG 39 2HD ARG 39 -6.961 -13.707 -0.202
264 HE ARG 39 HE ARG 39 -7.000 -11.658 -1.945
265 HH11 ARG 39 1HH1 ARG 39 -9.199 -14.293 -1.361
266 HH12 ARG 39 2HH1 ARG 39 -10.604 -13.397 -1.835
267 HH21 ARG 39 1HH2 ARG 39 -8.842 -10.468 -2.572
268 HH22 ARG 39 2HH2 ARG 39 -10.400 -11.222 -2.524
269 H HIS 40 H HIS 40 -5.669 -14.837 1.380
270 HA HIS 40 HA HIS 40 -5.082 -16.953 1.998
271 HB2 HIS 40 1HB HIS 40 -3.099 -16.629 -0.263
272 HB3 HIS 40 2HB HIS 40 -3.660 -18.155 0.413
273 HD2 HIS 40 HD2 HIS 40 -6.900 -17.450 0.351
274 HE1 HIS 40 HE1 HIS 40 -6.222 -16.965 -3.808
275 HE2 HIS 40 HE2 HIS 40 -7.955 -17.236 -2.000
276 H SER 41 H SER 41 -3.806 -14.892 3.476
277 HA SER 41 HA SER 41 -1.029 -15.374 3.784
278 HB2 SER 41 1HB SER 41 -2.539 -13.361 4.575
279 HB3 SER 41 2HB SER 41 -2.688 -14.325 6.045
280 HG SER 41 HG SER 41 -0.581 -14.087 6.441
281 H GLY 42 H GLY 42 -0.414 -17.425 4.210
282 HA2 GLY 42 1HA GLY 42 0.163 -18.909 6.024
283 HA3 GLY 42 2HA GLY 42 -1.421 -18.600 6.719
284 HA PRO 43 HA PRO 43 -1.905 -21.650 2.955
285 HB2 PRO 43 1HB PRO 43 0.346 -23.048 2.364
286 HB3 PRO 43 2HB PRO 43 -0.073 -21.523 1.574
287 HG2 PRO 43 1HG PRO 43 1.828 -22.027 3.831
288 HG3 PRO 43 2HG PRO 43 2.027 -20.981 2.413
289 HD2 PRO 43 1HD PRO 43 1.342 -20.018 4.850
290 HD3 PRO 43 2HD PRO 43 0.778 -19.278 3.338
291 H SER 44 H SER 44 -2.801 -23.566 3.458
292 HA SER 44 HA SER 44 -1.480 -25.336 5.368
293 HB2 SER 44 1HB SER 44 -2.976 -23.847 6.692
294 HB3 SER 44 2HB SER 44 -4.343 -24.422 5.738
295 HG SER 44 HG SER 44 -2.872 -25.719 7.714
296 H SER 45 H SER 45 -1.921 -27.479 5.064
297 HA SER 45 HA SER 45 -2.308 -29.255 3.637
298 HB2 SER 45 1HB SER 45 -4.980 -28.213 4.537
299 HB3 SER 45 2HB SER 45 -4.879 -29.638 3.504
300 HG SER 45 HG SER 45 -4.856 -30.308 5.633
301 H GLY 46 H GLY 46 -1.595 -27.110 2.069
302 HA2 GLY 46 1HA GLY 46 -2.325 -27.808 -0.465
303 HA3 GLY 46 2HA GLY 46 -3.544 -26.635 0.010
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -13.509 -8.707 -2.576
2 HA2 GLY 1 1HA GLY 1 -11.775 -7.447 -1.045
3 HA3 GLY 1 2HA GLY 1 -11.320 -6.765 -2.600
4 H SER 2 H SER 2 -12.782 -5.866 0.025
5 HA SER 2 HA SER 2 -15.001 -4.494 -1.344
6 HB2 SER 2 1HB SER 2 -16.055 -4.277 0.881
7 HB3 SER 2 2HB SER 2 -15.783 -5.965 0.449
8 HG SER 2 HG SER 2 -15.128 -5.550 2.587
9 H SER 3 H SER 3 -15.373 -2.289 -0.861
10 HA SER 3 HA SER 3 -13.572 -0.797 0.790
11 HB2 SER 3 1HB SER 3 -12.420 0.452 -0.898
12 HB3 SER 3 2HB SER 3 -12.207 -1.254 -1.290
13 HG SER 3 HG SER 3 -12.836 0.200 -3.066
14 H GLY 4 H GLY 4 -14.046 1.538 0.740
15 HA2 GLY 4 1HA GLY 4 -16.449 2.388 -0.633
16 HA3 GLY 4 2HA GLY 4 -16.636 2.203 1.105
17 H SER 5 H SER 5 -17.078 4.640 -0.006
18 HA SER 5 HA SER 5 -15.076 6.239 1.318
19 HB2 SER 5 1HB SER 5 -15.372 6.232 -1.668
20 HB3 SER 5 2HB SER 5 -14.933 7.724 -0.836
21 HG SER 5 HG SER 5 -13.050 6.668 -1.361
22 H SER 6 H SER 6 -15.989 7.978 2.226
23 HA SER 6 HA SER 6 -18.798 8.372 2.026
24 HB2 SER 6 1HB SER 6 -16.606 9.908 3.422
25 HB3 SER 6 2HB SER 6 -18.300 10.393 3.498
26 HG SER 6 HG SER 6 -18.556 8.939 4.975
27 H GLY 7 H GLY 7 -16.010 10.377 1.071
28 HA2 GLY 7 1HA GLY 7 -16.592 11.244 -1.344
29 HA3 GLY 7 2HA GLY 7 -17.805 12.132 -0.434
30 H THR 8 H THR 8 -14.430 11.383 0.374
31 HA THR 8 HA THR 8 -13.840 14.264 0.291
32 HB THR 8 HB THR 8 -12.453 14.000 2.342
33 HG1 THR 8 HG1 THR 8 -12.398 12.122 3.397
34 HG21 THR 8 3HG2 THR 8 -14.351 13.931 3.931
35 HG22 THR 8 1HG2 THR 8 -15.390 13.355 2.627
36 HG23 THR 8 2HG2 THR 8 -14.668 14.962 2.536
37 H GLY 9 H GLY 9 -12.691 14.034 -1.635
38 HA2 GLY 9 1HA GLY 9 -10.149 12.554 -1.361
39 HA3 GLY 9 2HA GLY 9 -11.069 12.541 -2.858
40 H GLU 10 H GLU 10 -10.282 15.203 -0.637
41 HA GLU 10 HA GLU 10 -9.648 16.952 -2.798
42 HB2 GLU 10 1HB GLU 10 -9.077 18.571 -1.075
43 HB3 GLU 10 2HB GLU 10 -10.587 17.764 -0.672
44 HG2 GLU 10 1HG GLU 10 -9.176 16.213 0.775
45 HG3 GLU 10 2HG GLU 10 -7.884 17.395 0.569
46 H LYS 11 H LYS 11 -7.738 15.160 -0.423
47 HA LYS 11 HA LYS 11 -5.224 16.173 -0.882
48 HB2 LYS 11 1HB LYS 11 -6.175 13.405 -0.203
49 HB3 LYS 11 2HB LYS 11 -4.462 13.739 -0.413
50 HG2 LYS 11 1HG LYS 11 -4.335 15.020 1.479
51 HG3 LYS 11 2HG LYS 11 -6.041 15.468 1.422
52 HD2 LYS 11 1HD LYS 11 -6.544 13.034 1.944
53 HD3 LYS 11 2HD LYS 11 -4.826 12.861 2.310
54 HE2 LYS 11 1HE LYS 11 -5.963 13.278 4.364
55 HE3 LYS 11 2HE LYS 11 -5.073 14.740 3.942
56 HZ1 LYS 11 3HZ LYS 11 -7.008 15.765 4.284
57 HZ2 LYS 11 1HZ LYS 11 -7.906 14.333 4.211
58 HZ3 LYS 11 2HZ LYS 11 -7.484 15.140 2.786
59 HA PRO 12 HA PRO 12 -4.210 15.214 -5.056
60 HB2 PRO 12 1HB PRO 12 -1.502 15.246 -4.862
61 HB3 PRO 12 2HB PRO 12 -2.485 16.714 -4.825
62 HG2 PRO 12 1HG PRO 12 -1.283 15.182 -2.552
63 HG3 PRO 12 2HG PRO 12 -1.350 16.935 -2.807
64 HD2 PRO 12 1HD PRO 12 -3.052 15.638 -1.148
65 HD3 PRO 12 2HD PRO 12 -3.525 17.088 -2.058
66 H TYR 13 H TYR 13 -2.425 13.434 -2.544
67 HA TYR 13 HA TYR 13 -1.992 11.201 -4.353
68 HB2 TYR 13 1HB TYR 13 -1.259 11.384 -1.428
69 HB3 TYR 13 2HB TYR 13 -0.609 10.270 -2.625
70 HD1 TYR 13 HD1 TYR 13 1.034 11.019 -4.262
71 HD2 TYR 13 HD2 TYR 13 -0.505 13.685 -1.325
72 HE1 TYR 13 HE1 TYR 13 2.859 12.596 -4.745
73 HE2 TYR 13 HE2 TYR 13 1.315 15.270 -1.800
74 HH TYR 13 HH TYR 13 3.307 15.527 -2.837
75 H LYS 14 H LYS 14 -2.595 9.015 -3.763
76 HA LYS 14 HA LYS 14 -4.482 8.469 -1.717
77 HB2 LYS 14 1HB LYS 14 -6.013 9.705 -3.134
78 HB3 LYS 14 2HB LYS 14 -5.550 8.743 -4.532
79 HG2 LYS 14 1HG LYS 14 -7.525 7.749 -3.955
80 HG3 LYS 14 2HG LYS 14 -6.380 6.748 -3.057
81 HD2 LYS 14 1HD LYS 14 -6.855 7.894 -1.023
82 HD3 LYS 14 2HD LYS 14 -7.778 9.139 -1.868
83 HE2 LYS 14 1HE LYS 14 -9.277 7.175 -2.628
84 HE3 LYS 14 2HE LYS 14 -8.515 6.289 -1.308
85 HZ1 LYS 14 3HZ LYS 14 -10.631 7.395 -0.701
86 HZ2 LYS 14 1HZ LYS 14 -9.895 8.894 -0.972
87 HZ3 LYS 14 2HZ LYS 14 -9.320 7.879 0.253
88 H CYS 15 H CYS 15 -3.642 6.553 -1.195
89 HA CYS 15 HA CYS 15 -2.248 4.793 -2.771
90 HB2 CYS 15 1HB CYS 15 -2.516 4.691 -0.272
91 HB3 CYS 15 2HB CYS 15 -4.095 3.957 -0.529
92 H SER 16 H SER 16 -2.828 3.892 -4.627
93 HA SER 16 HA SER 16 -5.615 3.317 -5.195
94 HB2 SER 16 1HB SER 16 -3.084 3.269 -6.821
95 HB3 SER 16 2HB SER 16 -4.566 2.532 -7.432
96 HG SER 16 HG SER 16 -4.338 5.221 -6.548
97 H ASP 17 H ASP 17 -4.419 1.768 -3.115
98 HA ASP 17 HA ASP 17 -4.548 -0.908 -4.342
99 HB2 ASP 17 1HB ASP 17 -2.802 0.047 -2.070
100 HB3 ASP 17 2HB ASP 17 -3.070 -1.657 -2.429
101 H CYS 18 H CYS 18 -4.812 0.706 -1.169
102 HA CYS 18 HA CYS 18 -6.982 -1.150 -0.484
103 HB2 CYS 18 1HB CYS 18 -6.580 -0.517 1.839
104 HB3 CYS 18 2HB CYS 18 -5.082 -1.052 1.084
105 H GLY 19 H GLY 19 -6.140 2.300 -0.446
106 HA2 GLY 19 1HA GLY 19 -7.937 3.773 -1.351
107 HA3 GLY 19 2HA GLY 19 -9.032 2.893 -0.294
108 H LYS 20 H LYS 20 -6.054 4.837 -0.177
109 HA LYS 20 HA LYS 20 -7.152 6.264 2.127
110 HB2 LYS 20 1HB LYS 20 -5.794 4.584 3.175
111 HB3 LYS 20 2HB LYS 20 -4.463 4.892 2.068
112 HG2 LYS 20 1HG LYS 20 -3.909 6.904 3.098
113 HG3 LYS 20 2HG LYS 20 -5.480 7.036 3.893
114 HD2 LYS 20 1HD LYS 20 -3.767 4.693 4.544
115 HD3 LYS 20 2HD LYS 20 -3.314 6.265 5.206
116 HE2 LYS 20 1HE LYS 20 -6.118 5.232 5.446
117 HE3 LYS 20 2HE LYS 20 -4.868 4.738 6.587
118 HZ1 LYS 20 3HZ LYS 20 -4.873 7.558 6.212
119 HZ2 LYS 20 1HZ LYS 20 -5.026 6.666 7.642
120 HZ3 LYS 20 2HZ LYS 20 -6.395 7.014 6.712
121 H ALA 21 H ALA 21 -6.414 8.375 2.357
122 HA ALA 21 HA ALA 21 -4.900 9.400 0.049
123 HB1 ALA 21 3HB ALA 21 -7.090 10.327 0.078
124 HB2 ALA 21 1HB ALA 21 -6.968 10.720 1.794
125 HB3 ALA 21 2HB ALA 21 -5.984 11.591 0.617
126 H PHE 22 H PHE 22 -3.360 11.078 0.387
127 HA PHE 22 HA PHE 22 -2.465 11.487 3.144
128 HB2 PHE 22 1HB PHE 22 -0.567 10.704 0.926
129 HB3 PHE 22 2HB PHE 22 -0.169 10.961 2.621
130 HD1 PHE 22 HD1 PHE 22 -2.246 8.816 0.405
131 HD2 PHE 22 HD2 PHE 22 -0.129 9.168 4.081
132 HE1 PHE 22 HE1 PHE 22 -2.630 6.427 0.852
133 HE2 PHE 22 HE2 PHE 22 -0.509 6.780 4.533
134 HZ PHE 22 HZ PHE 22 -1.760 5.405 2.917
135 H THR 23 H THR 23 -0.471 13.085 3.036
136 HA THR 23 HA THR 23 -1.215 15.248 1.174
137 HB THR 23 HB THR 23 -0.208 15.459 4.016
138 HG1 THR 23 HG1 THR 23 -2.553 16.669 3.063
139 HG21 THR 23 3HG2 THR 23 0.828 17.281 3.048
140 HG22 THR 23 1HG2 THR 23 -0.732 17.971 3.491
141 HG23 THR 23 2HG2 THR 23 -0.426 17.479 1.825
142 H ARG 24 H ARG 24 1.419 13.602 2.835
143 HA ARG 24 HA ARG 24 3.354 15.036 1.149
144 HB2 ARG 24 1HB ARG 24 5.005 13.878 2.800
145 HB3 ARG 24 2HB ARG 24 4.100 15.291 3.327
146 HG2 ARG 24 1HG ARG 24 2.483 13.840 4.445
147 HG3 ARG 24 2HG ARG 24 3.396 12.424 3.919
148 HD2 ARG 24 1HD ARG 24 5.385 13.645 5.103
149 HD3 ARG 24 2HD ARG 24 4.094 14.489 5.957
150 HE ARG 24 HE ARG 24 3.753 11.651 5.981
151 HH11 ARG 24 1HH1 ARG 24 5.407 14.307 7.505
152 HH12 ARG 24 2HH1 ARG 24 5.611 13.484 9.016
153 HH21 ARG 24 1HH2 ARG 24 4.015 10.556 7.965
154 HH22 ARG 24 2HH2 ARG 24 4.820 11.350 9.276
155 H LYS 25 H LYS 25 4.888 13.908 -0.059
156 HA LYS 25 HA LYS 25 4.042 11.594 -1.348
157 HB2 LYS 25 1HB LYS 25 5.805 13.303 -2.084
158 HB3 LYS 25 2HB LYS 25 6.939 12.384 -1.104
159 HG2 LYS 25 1HG LYS 25 7.269 11.471 -3.183
160 HG3 LYS 25 2HG LYS 25 6.085 10.359 -2.494
161 HD2 LYS 25 1HD LYS 25 4.301 11.749 -3.610
162 HD3 LYS 25 2HD LYS 25 5.600 12.591 -4.459
163 HE2 LYS 25 1HE LYS 25 6.363 10.223 -5.155
164 HE3 LYS 25 2HE LYS 25 4.738 9.729 -4.683
165 HZ1 LYS 25 3HZ LYS 25 5.593 11.053 -7.045
166 HZ2 LYS 25 1HZ LYS 25 4.401 11.958 -6.257
167 HZ3 LYS 25 2HZ LYS 25 4.093 10.354 -6.695
168 H SER 26 H SER 26 6.403 11.970 1.277
169 HA SER 26 HA SER 26 7.101 9.241 1.451
170 HB2 SER 26 1HB SER 26 8.035 9.831 3.659
171 HB3 SER 26 2HB SER 26 8.497 11.003 2.426
172 HG SER 26 HG SER 26 6.235 11.391 4.072
173 H GLY 27 H GLY 27 4.632 11.185 3.069
174 HA2 GLY 27 1HA GLY 27 3.759 9.486 5.036
175 HA3 GLY 27 2HA GLY 27 2.689 10.537 4.120
176 H LEU 28 H LEU 28 2.989 9.318 1.588
177 HA LEU 28 HA LEU 28 1.276 7.012 1.995
178 HB2 LEU 28 1HB LEU 28 0.473 8.437 0.334
179 HB3 LEU 28 2HB LEU 28 2.071 8.662 -0.374
180 HG LEU 28 HG LEU 28 1.971 6.302 -1.179
181 HD11 LEU 28 1HD1 LEU 28 -0.915 6.109 -1.004
182 HD12 LEU 28 2HD1 LEU 28 -0.149 6.096 0.584
183 HD13 LEU 28 3HD1 LEU 28 0.324 4.911 -0.632
184 HD21 LEU 28 3HD2 LEU 28 1.480 7.586 -2.960
185 HD22 LEU 28 1HD2 LEU 28 0.278 8.532 -2.081
186 HD23 LEU 28 2HD2 LEU 28 -0.149 6.949 -2.731
187 H HIS 29 H HIS 29 4.311 7.731 0.277
188 HA HIS 29 HA HIS 29 4.963 5.325 -0.783
189 HB2 HIS 29 1HB HIS 29 6.619 7.459 0.498
190 HB3 HIS 29 2HB HIS 29 7.400 5.955 0.021
191 HD2 HIS 29 HD2 HIS 29 4.645 7.316 -2.344
192 HE1 HIS 29 HE1 HIS 29 8.416 8.083 -4.131
193 HE2 HIS 29 HE2 HIS 29 5.916 8.190 -4.420
194 H ILE 30 H ILE 30 5.500 6.280 2.598
195 HA ILE 30 HA ILE 30 6.657 3.830 3.406
196 HB ILE 30 HB ILE 30 5.203 5.887 5.074
197 HG12 ILE 30 1HG1 ILE 30 8.178 5.561 4.944
198 HG13 ILE 30 2HG1 ILE 30 7.351 6.464 3.679
199 HG21 ILE 30 1HG2 ILE 30 6.029 4.870 6.991
200 HG22 ILE 30 2HG2 ILE 30 5.543 3.501 5.994
201 HG23 ILE 30 3HG2 ILE 30 7.244 3.953 6.101
202 HD11 ILE 30 3HD1 ILE 30 8.119 8.011 5.306
203 HD12 ILE 30 1HD1 ILE 30 6.366 7.899 5.464
204 HD13 ILE 30 2HD1 ILE 30 7.411 7.072 6.620
205 H HIS 31 H HIS 31 3.336 5.032 3.403
206 HA HIS 31 HA HIS 31 2.177 2.914 4.849
207 HB2 HIS 31 1HB HIS 31 0.774 4.750 4.652
208 HB3 HIS 31 2HB HIS 31 1.140 4.977 2.944
209 HD1 HIS 31 HD1 HIS 31 -0.939 2.830 5.240
210 HD2 HIS 31 HD2 HIS 31 -0.564 3.698 1.194
211 HE1 HIS 31 HE1 HIS 31 -2.930 1.762 4.135
212 H GLN 32 H GLN 32 2.298 3.463 1.326
213 HA GLN 32 HA GLN 32 1.058 1.297 0.333
214 HB2 GLN 32 1HB GLN 32 3.716 2.406 -0.581
215 HB3 GLN 32 2HB GLN 32 2.744 1.281 -1.520
216 HG2 GLN 32 1HG GLN 32 0.877 3.052 -1.248
217 HG3 GLN 32 2HG GLN 32 2.206 4.140 -0.851
218 HE21 GLN 32 1HE2 GLN 32 1.348 1.692 -3.274
219 HE22 GLN 32 2HE2 GLN 32 1.968 2.568 -4.628
220 H GLN 33 H GLN 33 4.399 1.291 1.543
221 HA GLN 33 HA GLN 33 5.234 -1.223 0.993
222 HB2 GLN 33 1HB GLN 33 5.552 0.243 3.616
223 HB3 GLN 33 2HB GLN 33 6.486 -1.172 3.148
224 HG2 GLN 33 1HG GLN 33 6.460 1.178 1.329
225 HG3 GLN 33 2HG GLN 33 7.413 1.261 2.810
226 HE21 GLN 33 1HE2 GLN 33 8.571 -1.031 3.142
227 HE22 GLN 33 2HE2 GLN 33 9.522 -1.509 1.781
228 H SER 34 H SER 34 3.177 -0.329 3.753
229 HA SER 34 HA SER 34 2.871 -2.585 5.145
230 HB2 SER 34 1HB SER 34 0.709 -0.717 4.174
231 HB3 SER 34 2HB SER 34 0.377 -2.028 5.306
232 HG SER 34 HG SER 34 2.271 -0.997 6.494
233 H HIS 35 H HIS 35 1.495 -2.037 1.941
234 HA HIS 35 HA HIS 35 0.218 -4.624 1.872
235 HB2 HIS 35 1HB HIS 35 0.674 -2.803 -0.486
236 HB3 HIS 35 2HB HIS 35 -0.591 -4.009 -0.271
237 HD1 HIS 35 HD1 HIS 35 -2.197 -3.366 1.957
238 HD2 HIS 35 HD2 HIS 35 -0.241 -0.306 -0.060
239 HE1 HIS 35 HE1 HIS 35 -3.433 -1.262 2.566
240 H THR 36 H THR 36 2.778 -5.130 2.458
241 HA THR 36 HA THR 36 3.954 -6.076 -0.074
242 HB THR 36 HB THR 36 5.425 -4.474 1.009
243 HG1 THR 36 HG1 THR 36 6.512 -7.048 1.518
244 HG21 THR 36 3HG2 THR 36 5.740 -4.349 3.219
245 HG22 THR 36 1HG2 THR 36 6.133 -6.064 3.332
246 HG23 THR 36 2HG2 THR 36 4.450 -5.540 3.380
247 H GLY 37 H GLY 37 2.659 -6.965 2.969
248 HA2 GLY 37 1HA GLY 37 3.263 -9.777 2.375
249 HA3 GLY 37 2HA GLY 37 3.659 -9.150 3.969
250 H GLU 38 H GLU 38 0.887 -9.146 1.721
251 HA GLU 38 HA GLU 38 -1.164 -8.693 3.442
252 HB2 GLU 38 1HB GLU 38 -1.189 -9.229 0.904
253 HB3 GLU 38 2HB GLU 38 -1.412 -10.896 1.415
254 HG2 GLU 38 1HG GLU 38 -3.525 -9.762 0.880
255 HG3 GLU 38 2HG GLU 38 -3.455 -10.333 2.546
256 H ARG 39 H ARG 39 0.009 -11.967 2.635
257 HA ARG 39 HA ARG 39 -0.063 -13.933 3.777
258 HB2 ARG 39 1HB ARG 39 1.173 -12.249 5.406
259 HB3 ARG 39 2HB ARG 39 -0.267 -12.497 6.384
260 HG2 ARG 39 1HG ARG 39 1.138 -14.891 5.329
261 HG3 ARG 39 2HG ARG 39 1.875 -14.001 6.663
262 HD2 ARG 39 1HD ARG 39 -0.905 -15.168 6.605
263 HD3 ARG 39 2HD ARG 39 0.473 -15.797 7.507
264 HE ARG 39 HE ARG 39 -1.225 -13.613 8.250
265 HH11 ARG 39 1HH1 ARG 39 1.968 -14.962 8.568
266 HH12 ARG 39 2HH1 ARG 39 2.290 -14.178 10.079
267 HH21 ARG 39 1HH2 ARG 39 -0.813 -12.575 10.239
268 HH22 ARG 39 2HH2 ARG 39 0.707 -12.822 11.029
269 H HIS 40 H HIS 40 -2.437 -13.454 2.786
270 HA HIS 40 HA HIS 40 -4.233 -14.608 4.717
271 HB2 HIS 40 1HB HIS 40 -4.438 -12.165 5.166
272 HB3 HIS 40 2HB HIS 40 -4.956 -11.936 3.498
273 HD2 HIS 40 HD2 HIS 40 -6.419 -12.906 6.908
274 HE1 HIS 40 HE1 HIS 40 -9.470 -13.485 4.018
275 HE2 HIS 40 HE2 HIS 40 -8.938 -13.295 6.473
276 H SER 41 H SER 41 -5.168 -16.196 3.630
277 HA SER 41 HA SER 41 -5.159 -16.407 0.823
278 HB2 SER 41 1HB SER 41 -5.258 -18.356 2.348
279 HB3 SER 41 2HB SER 41 -6.898 -17.899 2.804
280 HG SER 41 HG SER 41 -7.216 -18.006 0.364
281 H GLY 42 H GLY 42 -6.133 -14.659 -0.158
282 HA2 GLY 42 1HA GLY 42 -8.819 -14.785 -0.788
283 HA3 GLY 42 2HA GLY 42 -8.709 -13.685 0.578
284 HA PRO 43 HA PRO 43 -6.193 -11.659 -3.034
285 HB2 PRO 43 1HB PRO 43 -6.492 -12.793 -5.483
286 HB3 PRO 43 2HB PRO 43 -5.215 -13.265 -4.355
287 HG2 PRO 43 1HG PRO 43 -7.839 -14.594 -4.910
288 HG3 PRO 43 2HG PRO 43 -6.238 -15.325 -4.694
289 HD2 PRO 43 1HD PRO 43 -8.094 -15.277 -2.724
290 HD3 PRO 43 2HD PRO 43 -6.351 -15.200 -2.396
291 H SER 44 H SER 44 -6.896 -10.577 -5.229
292 HA SER 44 HA SER 44 -9.648 -10.545 -5.900
293 HB2 SER 44 1HB SER 44 -9.622 -9.407 -3.613
294 HB3 SER 44 2HB SER 44 -8.757 -8.084 -4.395
295 HG SER 44 HG SER 44 -11.374 -9.025 -4.912
296 H SER 45 H SER 45 -10.171 -8.788 -7.439
297 HA SER 45 HA SER 45 -7.931 -7.338 -8.572
298 HB2 SER 45 1HB SER 45 -8.120 -9.776 -9.559
299 HB3 SER 45 2HB SER 45 -9.435 -9.069 -10.497
300 HG SER 45 HG SER 45 -7.766 -8.605 -11.748
301 H GLY 46 H GLY 46 -8.574 -5.758 -10.151
302 HA2 GLY 46 1HA GLY 46 -9.973 -4.151 -11.007
303 HA3 GLY 46 2HA GLY 46 -11.249 -5.358 -10.958