NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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|
505210 |
2eoy   |
10154 | 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 -31.659 -4.804 -20.188
2 HA2 GLY 1 1HA GLY 1 -31.361 -6.618 -18.744
3 HA3 GLY 1 2HA GLY 1 -31.415 -7.443 -20.294
4 H SER 2 H SER 2 -28.924 -5.427 -18.743
5 HA SER 2 HA SER 2 -27.016 -7.621 -19.205
6 HB2 SER 2 1HB SER 2 -26.481 -5.528 -20.386
7 HB3 SER 2 2HB SER 2 -26.478 -4.661 -18.850
8 HG SER 2 HG SER 2 -24.554 -5.411 -18.439
9 H SER 3 H SER 3 -28.664 -7.791 -16.981
10 HA SER 3 HA SER 3 -26.901 -7.044 -14.746
11 HB2 SER 3 1HB SER 3 -28.943 -7.471 -13.325
12 HB3 SER 3 2HB SER 3 -29.092 -6.116 -14.443
13 HG SER 3 HG SER 3 -30.753 -8.059 -14.236
14 H GLY 4 H GLY 4 -26.425 -8.578 -13.123
15 HA2 GLY 4 1HA GLY 4 -27.172 -11.057 -12.601
16 HA3 GLY 4 2HA GLY 4 -26.367 -11.317 -14.142
17 H SER 5 H SER 5 -24.373 -12.051 -13.928
18 HA SER 5 HA SER 5 -22.928 -12.393 -11.661
19 HB2 SER 5 1HB SER 5 -21.767 -11.725 -14.377
20 HB3 SER 5 2HB SER 5 -20.909 -12.525 -13.060
21 HG SER 5 HG SER 5 -21.631 -14.177 -14.258
22 H SER 6 H SER 6 -22.423 -10.974 -10.135
23 HA SER 6 HA SER 6 -20.798 -8.684 -10.753
24 HB2 SER 6 1HB SER 6 -23.573 -8.272 -9.615
25 HB3 SER 6 2HB SER 6 -22.322 -7.032 -9.688
26 HG SER 6 HG SER 6 -23.408 -6.698 -11.518
27 H GLY 7 H GLY 7 -19.376 -8.409 -9.157
28 HA2 GLY 7 1HA GLY 7 -19.944 -8.460 -6.416
29 HA3 GLY 7 2HA GLY 7 -19.368 -10.056 -6.871
30 H GLN 8 H GLN 8 -18.370 -7.341 -5.488
31 HA GLN 8 HA GLN 8 -15.871 -6.945 -6.872
32 HB2 GLN 8 1HB GLN 8 -15.382 -5.350 -5.057
33 HB3 GLN 8 2HB GLN 8 -16.943 -5.043 -5.807
34 HG2 GLN 8 1HG GLN 8 -17.525 -4.842 -3.624
35 HG3 GLN 8 2HG GLN 8 -17.803 -6.569 -3.841
36 HE21 GLN 8 1HE2 GLN 8 -15.009 -4.477 -3.178
37 HE22 GLN 8 2HE2 GLN 8 -14.415 -5.405 -1.849
38 H LYS 9 H LYS 9 -16.132 -9.597 -6.140
39 HA LYS 9 HA LYS 9 -14.964 -10.282 -3.678
40 HB2 LYS 9 1HB LYS 9 -15.153 -11.721 -6.318
41 HB3 LYS 9 2HB LYS 9 -14.365 -12.444 -4.922
42 HG2 LYS 9 1HG LYS 9 -17.122 -11.376 -4.605
43 HG3 LYS 9 2HG LYS 9 -16.891 -12.906 -5.453
44 HD2 LYS 9 1HD LYS 9 -15.770 -13.852 -3.541
45 HD3 LYS 9 2HD LYS 9 -15.811 -12.299 -2.702
46 HE2 LYS 9 1HE LYS 9 -18.211 -12.382 -2.562
47 HE3 LYS 9 2HE LYS 9 -18.260 -13.835 -3.559
48 HZ1 LYS 9 3HZ LYS 9 -16.612 -14.064 -1.201
49 HZ2 LYS 9 1HZ LYS 9 -17.766 -15.133 -1.825
50 HZ3 LYS 9 2HZ LYS 9 -18.254 -13.823 -0.873
51 H GLU 10 H GLU 10 -13.456 -10.273 -6.916
52 HA GLU 10 HA GLU 10 -10.821 -10.554 -5.884
53 HB2 GLU 10 1HB GLU 10 -12.022 -10.033 -8.561
54 HB3 GLU 10 2HB GLU 10 -10.317 -9.668 -8.339
55 HG2 GLU 10 1HG GLU 10 -9.845 -11.934 -7.734
56 HG3 GLU 10 2HG GLU 10 -11.561 -12.337 -7.728
57 H LYS 11 H LYS 11 -9.495 -9.065 -5.090
58 HA LYS 11 HA LYS 11 -9.946 -6.243 -5.786
59 HB2 LYS 11 1HB LYS 11 -9.401 -5.626 -3.450
60 HB3 LYS 11 2HB LYS 11 -10.880 -6.570 -3.576
61 HG2 LYS 11 1HG LYS 11 -9.274 -8.583 -3.104
62 HG3 LYS 11 2HG LYS 11 -8.240 -7.322 -2.426
63 HD2 LYS 11 1HD LYS 11 -11.107 -7.360 -1.636
64 HD3 LYS 11 2HD LYS 11 -10.040 -8.592 -0.956
65 HE2 LYS 11 1HE LYS 11 -9.272 -5.696 -0.911
66 HE3 LYS 11 2HE LYS 11 -10.354 -6.360 0.313
67 HZ1 LYS 11 3HZ LYS 11 -7.793 -7.694 -0.254
68 HZ2 LYS 11 1HZ LYS 11 -8.709 -7.699 1.168
69 HZ3 LYS 11 2HZ LYS 11 -7.822 -6.325 0.738
70 H CYS 12 H CYS 12 -8.120 -4.962 -5.952
71 HA CYS 12 HA CYS 12 -5.518 -6.144 -5.377
72 HB2 CYS 12 1HB CYS 12 -6.453 -5.334 -8.125
73 HB3 CYS 12 2HB CYS 12 -4.746 -5.394 -7.705
74 HG CYS 12 HG CYS 12 -6.111 -7.719 -9.107
75 H PHE 13 H PHE 13 -4.266 -4.682 -4.432
76 HA PHE 13 HA PHE 13 -4.995 -1.855 -4.653
77 HB2 PHE 13 1HB PHE 13 -3.077 -3.140 -2.702
78 HB3 PHE 13 2HB PHE 13 -3.746 -1.514 -2.617
79 HD1 PHE 13 HD2 PHE 13 -4.771 -5.089 -2.624
80 HD2 PHE 13 HD1 PHE 13 -5.649 -1.118 -1.368
81 HE1 PHE 13 HE2 PHE 13 -6.640 -5.935 -1.266
82 HE2 PHE 13 HE1 PHE 13 -7.520 -1.958 -0.007
83 HZ PHE 13 HZ PHE 13 -8.018 -4.370 0.044
84 H LYS 14 H LYS 14 -4.024 -1.029 -6.424
85 HA LYS 14 HA LYS 14 -1.137 -1.498 -6.758
86 HB2 LYS 14 1HB LYS 14 -2.823 -2.058 -8.630
87 HB3 LYS 14 2HB LYS 14 -2.943 -0.317 -8.854
88 HG2 LYS 14 1HG LYS 14 -0.603 -0.169 -9.378
89 HG3 LYS 14 2HG LYS 14 -0.371 -1.876 -8.996
90 HD2 LYS 14 1HD LYS 14 -2.015 -2.402 -10.825
91 HD3 LYS 14 2HD LYS 14 -1.952 -0.696 -11.274
92 HE2 LYS 14 1HE LYS 14 0.559 -0.983 -11.460
93 HE3 LYS 14 2HE LYS 14 0.274 -2.719 -11.335
94 HZ1 LYS 14 3HZ LYS 14 -1.351 -2.315 -13.268
95 HZ2 LYS 14 1HZ LYS 14 0.308 -2.353 -13.599
96 HZ3 LYS 14 2HZ LYS 14 -0.500 -0.871 -13.495
97 H CYS 15 H CYS 15 0.193 0.106 -6.256
98 HA CYS 15 HA CYS 15 -0.586 2.560 -5.235
99 HB2 CYS 15 1HB CYS 15 1.742 1.295 -5.281
100 HB3 CYS 15 2HB CYS 15 2.037 2.364 -6.648
101 H ASN 16 H ASN 16 0.389 4.698 -6.261
102 HA ASN 16 HA ASN 16 -0.791 4.903 -8.948
103 HB2 ASN 16 1HB ASN 16 -0.483 6.956 -6.752
104 HB3 ASN 16 2HB ASN 16 -0.995 7.358 -8.389
105 HD21 ASN 16 1HD2 ASN 16 -3.090 7.592 -8.561
106 HD22 ASN 16 2HD2 ASN 16 -4.295 6.714 -7.688
107 H LYS 17 H LYS 17 1.776 6.383 -6.964
108 HA LYS 17 HA LYS 17 3.159 7.592 -9.075
109 HB2 LYS 17 1HB LYS 17 3.813 6.827 -6.276
110 HB3 LYS 17 2HB LYS 17 5.159 7.197 -7.346
111 HG2 LYS 17 1HG LYS 17 4.617 9.199 -6.225
112 HG3 LYS 17 2HG LYS 17 4.004 9.369 -7.871
113 HD2 LYS 17 1HD LYS 17 2.223 10.140 -6.616
114 HD3 LYS 17 2HD LYS 17 1.792 8.445 -6.852
115 HE2 LYS 17 1HE LYS 17 1.448 8.607 -4.604
116 HE3 LYS 17 2HE LYS 17 3.154 8.164 -4.601
117 HZ1 LYS 17 3HZ LYS 17 3.130 9.959 -3.198
118 HZ2 LYS 17 1HZ LYS 17 1.913 10.769 -4.049
119 HZ3 LYS 17 2HZ LYS 17 3.487 10.723 -4.665
120 H CYS 18 H CYS 18 4.297 4.735 -7.269
121 HA CYS 18 HA CYS 18 6.022 3.944 -9.413
122 HB2 CYS 18 1HB CYS 18 6.541 2.007 -7.993
123 HB3 CYS 18 2HB CYS 18 6.627 3.510 -7.080
124 H GLU 19 H GLU 19 2.854 2.984 -8.250
125 HA GLU 19 HA GLU 19 1.192 1.784 -9.251
126 HB2 GLU 19 1HB GLU 19 2.994 1.440 -11.643
127 HB3 GLU 19 2HB GLU 19 1.238 1.361 -11.593
128 HG2 GLU 19 1HG GLU 19 1.095 3.725 -11.168
129 HG3 GLU 19 2HG GLU 19 2.850 3.843 -11.057
130 H LYS 20 H LYS 20 2.901 0.519 -7.503
131 HA LYS 20 HA LYS 20 3.494 -2.086 -8.710
132 HB2 LYS 20 1HB LYS 20 4.435 -0.635 -6.285
133 HB3 LYS 20 2HB LYS 20 4.409 -2.392 -6.226
134 HG2 LYS 20 1HG LYS 20 5.714 -2.286 -8.433
135 HG3 LYS 20 2HG LYS 20 6.003 -0.596 -8.014
136 HD2 LYS 20 1HD LYS 20 7.078 -1.235 -5.959
137 HD3 LYS 20 2HD LYS 20 6.655 -2.929 -6.216
138 HE2 LYS 20 1HE LYS 20 8.232 -1.525 -8.313
139 HE3 LYS 20 2HE LYS 20 9.049 -1.988 -6.821
140 HZ1 LYS 20 3HZ LYS 20 8.755 -3.596 -8.938
141 HZ2 LYS 20 1HZ LYS 20 7.415 -4.057 -8.013
142 HZ3 LYS 20 2HZ LYS 20 8.970 -4.150 -7.354
143 H THR 21 H THR 21 2.233 -3.798 -8.381
144 HA THR 21 HA THR 21 -0.191 -3.545 -6.882
145 HB THR 21 HB THR 21 -0.491 -5.986 -7.490
146 HG1 THR 21 HG1 THR 21 2.009 -6.028 -7.830
147 HG21 THR 21 3HG2 THR 21 0.143 -4.433 -9.964
148 HG22 THR 21 1HG2 THR 21 -1.128 -3.864 -8.883
149 HG23 THR 21 2HG2 THR 21 -1.243 -5.465 -9.612
150 H PHE 22 H PHE 22 -0.725 -4.367 -4.924
151 HA PHE 22 HA PHE 22 1.384 -5.810 -3.456
152 HB2 PHE 22 1HB PHE 22 -0.550 -3.710 -2.473
153 HB3 PHE 22 2HB PHE 22 0.384 -4.737 -1.391
154 HD1 PHE 22 HD2 PHE 22 0.537 -2.005 -3.824
155 HD2 PHE 22 HD1 PHE 22 2.746 -4.415 -1.098
156 HE1 PHE 22 HE2 PHE 22 2.422 -0.431 -3.965
157 HE2 PHE 22 HE1 PHE 22 4.635 -2.844 -1.234
158 HZ PHE 22 HZ PHE 22 4.475 -0.849 -2.670
159 H SER 23 H SER 23 0.309 -6.834 -1.372
160 HA SER 23 HA SER 23 -1.824 -8.558 -2.389
161 HB2 SER 23 1HB SER 23 0.126 -8.821 -0.101
162 HB3 SER 23 2HB SER 23 -1.244 -9.915 -0.296
163 HG SER 23 HG SER 23 -0.319 -10.798 -2.003
164 H CYS 24 H CYS 24 -1.020 -6.724 0.556
165 HA CYS 24 HA CYS 24 -3.868 -6.762 1.281
166 HB2 CYS 24 1HB CYS 24 -1.359 -6.370 2.900
167 HB3 CYS 24 2HB CYS 24 -2.940 -5.918 3.527
168 HG CYS 24 HG CYS 24 -1.722 -8.576 4.257
169 H SER 25 H SER 25 -4.366 -4.673 2.702
170 HA SER 25 HA SER 25 -3.971 -2.442 0.877
171 HB2 SER 25 1HB SER 25 -6.211 -3.201 2.022
172 HB3 SER 25 2HB SER 25 -5.609 -2.252 3.380
173 HG SER 25 HG SER 25 -5.515 -1.074 0.859
174 H LYS 26 H LYS 26 -3.762 -2.941 4.403
175 HA LYS 26 HA LYS 26 -2.640 -0.588 5.188
176 HB2 LYS 26 1HB LYS 26 -1.704 -1.745 7.079
177 HB3 LYS 26 2HB LYS 26 -3.252 -2.482 6.688
178 HG2 LYS 26 1HG LYS 26 -2.213 -4.377 5.726
179 HG3 LYS 26 2HG LYS 26 -0.629 -3.598 5.739
180 HD2 LYS 26 1HD LYS 26 -2.115 -4.018 8.301
181 HD3 LYS 26 2HD LYS 26 -1.220 -5.352 7.569
182 HE2 LYS 26 1HE LYS 26 0.822 -4.307 7.854
183 HE3 LYS 26 2HE LYS 26 0.105 -2.699 7.931
184 HZ1 LYS 26 3HZ LYS 26 0.203 -4.769 10.034
185 HZ2 LYS 26 1HZ LYS 26 -0.929 -3.514 10.096
186 HZ3 LYS 26 2HZ LYS 26 0.725 -3.162 10.108
187 H TYR 27 H TYR 27 -1.039 -3.256 3.559
188 HA TYR 27 HA TYR 27 1.618 -2.399 3.910
189 HB2 TYR 27 1HB TYR 27 0.235 -4.195 1.952
190 HB3 TYR 27 2HB TYR 27 1.913 -3.742 1.677
191 HD1 TYR 27 HD2 TYR 27 -0.284 -5.103 4.375
192 HD2 TYR 27 HD1 TYR 27 3.577 -5.065 2.586
193 HE1 TYR 27 HE2 TYR 27 0.441 -6.878 5.916
194 HE2 TYR 27 HE1 TYR 27 4.312 -6.840 4.122
195 HH TYR 27 HH TYR 27 3.265 -7.566 6.731
196 H LEU 28 H LEU 28 -0.790 -1.676 1.429
197 HA LEU 28 HA LEU 28 0.990 -0.143 -0.196
198 HB2 LEU 28 1HB LEU 28 -0.896 -1.143 -1.243
199 HB3 LEU 28 2HB LEU 28 -2.006 -0.391 -0.100
200 HG LEU 28 HG LEU 28 -1.463 1.815 -1.086
201 HD11 LEU 28 1HD1 LEU 28 -0.403 0.972 -3.574
202 HD12 LEU 28 2HD1 LEU 28 0.636 0.336 -2.299
203 HD13 LEU 28 3HD1 LEU 28 0.309 2.067 -2.389
204 HD21 LEU 28 3HD2 LEU 28 -2.874 1.578 -2.950
205 HD22 LEU 28 1HD2 LEU 28 -3.365 0.301 -1.837
206 HD23 LEU 28 2HD2 LEU 28 -2.360 -0.086 -3.234
207 H THR 29 H THR 29 -1.832 0.840 1.756
208 HA THR 29 HA THR 29 -1.723 3.518 1.647
209 HB THR 29 HB THR 29 -2.036 1.993 4.240
210 HG1 THR 29 HG1 THR 29 -3.496 1.261 2.654
211 HG21 THR 29 3HG2 THR 29 -3.115 4.696 3.436
212 HG22 THR 29 1HG2 THR 29 -1.733 4.439 4.501
213 HG23 THR 29 2HG2 THR 29 -3.337 3.892 4.990
214 H GLN 30 H GLN 30 0.228 1.613 3.947
215 HA GLN 30 HA GLN 30 1.683 3.812 4.946
216 HB2 GLN 30 1HB GLN 30 1.468 1.586 6.063
217 HB3 GLN 30 2HB GLN 30 2.565 0.923 4.858
218 HG2 GLN 30 1HG GLN 30 4.387 2.089 5.686
219 HG3 GLN 30 2HG GLN 30 3.378 3.270 6.518
220 HE21 GLN 30 1HE2 GLN 30 5.264 0.565 6.882
221 HE22 GLN 30 2HE2 GLN 30 4.730 0.066 8.447
222 H HIS 31 H HIS 31 2.469 1.400 2.459
223 HA HIS 31 HA HIS 31 5.043 2.167 1.842
224 HB2 HIS 31 1HB HIS 31 4.409 0.275 0.695
225 HB3 HIS 31 2HB HIS 31 2.825 0.925 0.283
226 HD1 HIS 31 HD1 HIS 31 6.138 0.346 -1.093
227 HD2 HIS 31 HD2 HIS 31 2.958 2.902 -1.879
228 HE1 HIS 31 HE1 HIS 31 6.544 1.231 -3.411
229 H GLU 32 H GLU 32 2.052 3.374 0.318
230 HA GLU 32 HA GLU 32 2.894 5.121 -1.510
231 HB2 GLU 32 1HB GLU 32 0.845 5.735 0.626
232 HB3 GLU 32 2HB GLU 32 1.036 6.643 -0.867
233 HG2 GLU 32 1HG GLU 32 0.423 4.722 -2.174
234 HG3 GLU 32 2HG GLU 32 0.373 3.712 -0.731
235 H ARG 33 H ARG 33 3.186 5.605 1.966
236 HA ARG 33 HA ARG 33 3.915 8.236 2.140
237 HB2 ARG 33 1HB ARG 33 5.223 5.955 3.634
238 HB3 ARG 33 2HB ARG 33 5.202 7.642 4.129
239 HG2 ARG 33 1HG ARG 33 2.613 6.244 3.682
240 HG3 ARG 33 2HG ARG 33 3.528 5.913 5.154
241 HD2 ARG 33 1HD ARG 33 2.655 8.637 4.196
242 HD3 ARG 33 2HD ARG 33 1.884 7.705 5.479
243 HE ARG 33 HE ARG 33 4.694 8.224 5.886
244 HH11 ARG 33 1HH1 ARG 33 1.437 9.342 6.400
245 HH12 ARG 33 2HH1 ARG 33 1.852 10.331 7.761
246 HH21 ARG 33 1HH2 ARG 33 5.253 9.523 7.676
247 HH22 ARG 33 2HH2 ARG 33 4.023 10.434 8.485
248 H ILE 34 H ILE 34 6.087 5.500 1.457
249 HA ILE 34 HA ILE 34 8.524 6.586 1.321
250 HB ILE 34 HB ILE 34 9.154 5.056 -0.370
251 HG12 ILE 34 1HG1 ILE 34 6.245 4.823 -1.163
252 HG13 ILE 34 2HG1 ILE 34 7.433 5.796 -2.024
253 HG21 ILE 34 1HG2 ILE 34 7.044 3.283 0.406
254 HG22 ILE 34 2HG2 ILE 34 8.725 3.316 0.937
255 HG23 ILE 34 3HG2 ILE 34 7.516 4.286 1.778
256 HD11 ILE 34 3HD1 ILE 34 8.707 3.804 -2.554
257 HD12 ILE 34 1HD1 ILE 34 7.567 2.814 -1.643
258 HD13 ILE 34 2HD1 ILE 34 7.041 3.645 -3.107
259 H HIS 35 H HIS 35 5.890 7.331 -0.849
260 HA HIS 35 HA HIS 35 7.579 8.910 -2.605
261 HB2 HIS 35 1HB HIS 35 4.565 8.689 -2.623
262 HB3 HIS 35 2HB HIS 35 5.600 9.262 -3.928
263 HD1 HIS 35 HD1 HIS 35 7.487 7.210 -4.578
264 HD2 HIS 35 HD2 HIS 35 3.737 6.178 -3.119
265 HE1 HIS 35 HE1 HIS 35 7.120 4.827 -5.292
266 H THR 36 H THR 36 8.226 10.248 -0.680
267 HA THR 36 HA THR 36 6.392 12.535 -0.453
268 HB THR 36 HB THR 36 7.233 12.833 1.919
269 HG1 THR 36 HG1 THR 36 8.076 10.955 2.909
270 HG21 THR 36 3HG2 THR 36 5.799 10.712 2.677
271 HG22 THR 36 1HG2 THR 36 5.366 10.733 0.968
272 HG23 THR 36 2HG2 THR 36 5.060 12.150 1.973
273 H ARG 37 H ARG 37 7.428 14.052 -1.603
274 HA ARG 37 HA ARG 37 10.260 14.228 -1.808
275 HB2 ARG 37 1HB ARG 37 8.670 15.030 -3.551
276 HB3 ARG 37 2HB ARG 37 8.198 16.336 -2.472
277 HG2 ARG 37 1HG ARG 37 11.073 15.994 -3.177
278 HG3 ARG 37 2HG ARG 37 9.970 16.734 -4.340
279 HD2 ARG 37 1HD ARG 37 9.256 18.255 -2.411
280 HD3 ARG 37 2HD ARG 37 10.699 17.673 -1.583
281 HE ARG 37 HE ARG 37 10.590 19.471 -3.847
282 HH11 ARG 37 1HH1 ARG 37 12.545 17.346 -1.902
283 HH12 ARG 37 2HH1 ARG 37 14.041 18.086 -2.365
284 HH21 ARG 37 1HH2 ARG 37 12.553 20.454 -4.464
285 HH22 ARG 37 2HH2 ARG 37 14.045 19.854 -3.822
286 H GLY 38 H GLY 38 11.658 15.103 -0.432
287 HA2 GLY 38 1HA GLY 38 12.358 17.042 0.849
288 HA3 GLY 38 2HA GLY 38 10.695 17.215 1.391
289 H VAL 39 H VAL 39 13.602 15.243 1.667
290 HA VAL 39 HA VAL 39 12.584 14.234 4.244
291 HB VAL 39 HB VAL 39 14.563 12.918 2.377
292 HG11 VAL 39 1HG1 VAL 39 13.460 11.393 4.628
293 HG12 VAL 39 2HG1 VAL 39 15.102 11.442 3.983
294 HG13 VAL 39 3HG1 VAL 39 14.548 12.702 5.085
295 HG21 VAL 39 3HG2 VAL 39 12.459 11.189 2.819
296 HG22 VAL 39 1HG2 VAL 39 11.674 12.760 2.661
297 HG23 VAL 39 2HG2 VAL 39 12.717 12.162 1.371
298 H LYS 40 H LYS 40 13.563 15.084 5.945
299 HA LYS 40 HA LYS 40 15.952 16.627 5.728
300 HB2 LYS 40 1HB LYS 40 13.976 16.866 7.398
301 HB3 LYS 40 2HB LYS 40 14.828 15.645 8.334
302 HG2 LYS 40 1HG LYS 40 16.574 17.048 8.835
303 HG3 LYS 40 2HG LYS 40 16.308 18.061 7.415
304 HD2 LYS 40 1HD LYS 40 14.386 19.074 8.410
305 HD3 LYS 40 2HD LYS 40 14.405 17.923 9.748
306 HE2 LYS 40 1HE LYS 40 15.380 19.779 10.709
307 HE3 LYS 40 2HE LYS 40 16.791 18.870 10.173
308 HZ1 LYS 40 3HZ LYS 40 15.633 21.329 9.048
309 HZ2 LYS 40 1HZ LYS 40 16.520 20.292 8.047
310 HZ3 LYS 40 2HZ LYS 40 17.247 20.975 9.413
311 H SER 41 H SER 41 17.950 16.247 6.845
312 HA SER 41 HA SER 41 19.814 14.987 7.211
313 HB2 SER 41 1HB SER 41 17.821 13.186 8.609
314 HB3 SER 41 2HB SER 41 19.568 13.167 8.843
315 HG SER 41 HG SER 41 18.733 14.414 10.459
316 H GLY 42 H GLY 42 18.701 14.590 4.694
317 HA2 GLY 42 1HA GLY 42 18.813 11.693 4.239
318 HA3 GLY 42 2HA GLY 42 18.248 12.895 3.088
319 HA PRO 43 HA PRO 43 22.128 12.581 1.055
320 HB2 PRO 43 1HB PRO 43 22.140 14.963 -0.247
321 HB3 PRO 43 2HB PRO 43 21.111 13.609 -0.730
322 HG2 PRO 43 1HG PRO 43 20.420 16.030 0.890
323 HG3 PRO 43 2HG PRO 43 19.496 15.251 -0.408
324 HD2 PRO 43 1HD PRO 43 18.932 14.871 2.213
325 HD3 PRO 43 2HD PRO 43 18.678 13.610 0.989
326 H SER 44 H SER 44 21.418 15.565 2.828
327 HA SER 44 HA SER 44 24.107 15.550 3.924
328 HB2 SER 44 1HB SER 44 24.751 17.700 3.189
329 HB3 SER 44 2HB SER 44 24.095 16.922 1.749
330 HG SER 44 HG SER 44 23.154 19.081 3.178
331 H SER 45 H SER 45 24.240 16.484 5.923
332 HA SER 45 HA SER 45 22.112 16.596 7.597
333 HB2 SER 45 1HB SER 45 24.724 18.083 7.651
334 HB3 SER 45 2HB SER 45 23.530 18.323 8.927
335 HG SER 45 HG SER 45 24.151 15.698 8.241
336 H GLY 46 H GLY 46 23.588 19.539 6.207
337 HA2 GLY 46 1HA GLY 46 21.036 20.930 6.661
338 HA3 GLY 46 2HA GLY 46 22.595 21.707 6.427
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -4.379 -15.146 -26.550
2 HA2 GLY 1 1HA GLY 1 -2.732 -16.927 -27.371
3 HA3 GLY 1 2HA GLY 1 -1.558 -15.995 -26.454
4 H SER 2 H SER 2 -1.986 -15.740 -24.119
5 HA SER 2 HA SER 2 -3.825 -17.527 -22.839
6 HB2 SER 2 1HB SER 2 -1.895 -19.015 -23.603
7 HB3 SER 2 2HB SER 2 -0.900 -18.153 -22.430
8 HG SER 2 HG SER 2 -2.425 -20.210 -21.962
9 H SER 3 H SER 3 -4.239 -16.895 -20.789
10 HA SER 3 HA SER 3 -2.332 -15.201 -19.377
11 HB2 SER 3 1HB SER 3 -3.905 -13.754 -20.791
12 HB3 SER 3 2HB SER 3 -5.184 -14.269 -19.692
13 HG SER 3 HG SER 3 -3.025 -12.573 -19.249
14 H GLY 4 H GLY 4 -2.721 -15.045 -17.121
15 HA2 GLY 4 1HA GLY 4 -4.517 -17.165 -16.125
16 HA3 GLY 4 2HA GLY 4 -3.030 -16.664 -15.334
17 H SER 5 H SER 5 -4.940 -16.730 -13.633
18 HA SER 5 HA SER 5 -6.766 -14.606 -13.511
19 HB2 SER 5 1HB SER 5 -5.588 -16.481 -11.499
20 HB3 SER 5 2HB SER 5 -6.518 -15.095 -10.929
21 HG SER 5 HG SER 5 -8.301 -15.956 -11.701
22 H SER 6 H SER 6 -3.692 -14.960 -11.732
23 HA SER 6 HA SER 6 -2.385 -13.402 -10.682
24 HB2 SER 6 1HB SER 6 -2.942 -12.109 -13.356
25 HB3 SER 6 2HB SER 6 -1.768 -11.467 -12.207
26 HG SER 6 HG SER 6 -0.986 -12.984 -13.890
27 H GLY 7 H GLY 7 -5.068 -13.250 -9.859
28 HA2 GLY 7 1HA GLY 7 -5.127 -10.856 -8.462
29 HA3 GLY 7 2HA GLY 7 -6.069 -10.591 -9.922
30 H GLN 8 H GLN 8 -7.729 -12.380 -10.359
31 HA GLN 8 HA GLN 8 -9.558 -13.583 -9.720
32 HB2 GLN 8 1HB GLN 8 -7.804 -14.715 -8.208
33 HB3 GLN 8 2HB GLN 8 -8.471 -13.722 -6.919
34 HG2 GLN 8 1HG GLN 8 -10.541 -14.791 -7.002
35 HG3 GLN 8 2HG GLN 8 -10.223 -15.477 -8.595
36 HE21 GLN 8 1HE2 GLN 8 -11.013 -16.750 -6.062
37 HE22 GLN 8 2HE2 GLN 8 -9.813 -17.954 -5.754
38 H LYS 9 H LYS 9 -9.515 -10.745 -9.635
39 HA LYS 9 HA LYS 9 -10.505 -8.907 -8.643
40 HB2 LYS 9 1HB LYS 9 -12.725 -10.959 -8.648
41 HB3 LYS 9 2HB LYS 9 -12.963 -9.225 -8.483
42 HG2 LYS 9 1HG LYS 9 -13.382 -9.571 -10.720
43 HG3 LYS 9 2HG LYS 9 -11.685 -9.083 -10.731
44 HD2 LYS 9 1HD LYS 9 -10.943 -11.288 -11.066
45 HD3 LYS 9 2HD LYS 9 -12.504 -11.972 -10.608
46 HE2 LYS 9 1HE LYS 9 -12.310 -10.156 -12.973
47 HE3 LYS 9 2HE LYS 9 -11.813 -11.841 -13.122
48 HZ1 LYS 9 3HZ LYS 9 -13.975 -12.134 -13.596
49 HZ2 LYS 9 1HZ LYS 9 -14.467 -10.713 -12.820
50 HZ3 LYS 9 2HZ LYS 9 -14.173 -12.112 -11.916
51 H GLU 10 H GLU 10 -8.990 -9.890 -6.693
52 HA GLU 10 HA GLU 10 -10.658 -10.367 -4.345
53 HB2 GLU 10 1HB GLU 10 -8.612 -10.910 -3.190
54 HB3 GLU 10 2HB GLU 10 -8.636 -11.757 -4.730
55 HG2 GLU 10 1HG GLU 10 -6.991 -10.406 -5.647
56 HG3 GLU 10 2HG GLU 10 -7.251 -9.122 -4.467
57 H LYS 11 H LYS 11 -10.429 -7.746 -5.801
58 HA LYS 11 HA LYS 11 -10.541 -5.548 -5.208
59 HB2 LYS 11 1HB LYS 11 -11.511 -6.550 -3.066
60 HB3 LYS 11 2HB LYS 11 -9.906 -6.353 -2.374
61 HG2 LYS 11 1HG LYS 11 -10.013 -3.961 -2.728
62 HG3 LYS 11 2HG LYS 11 -11.584 -4.127 -3.516
63 HD2 LYS 11 1HD LYS 11 -12.461 -5.104 -1.391
64 HD3 LYS 11 2HD LYS 11 -10.914 -4.717 -0.634
65 HE2 LYS 11 1HE LYS 11 -11.280 -2.432 -0.760
66 HE3 LYS 11 2HE LYS 11 -12.461 -2.591 -2.059
67 HZ1 LYS 11 3HZ LYS 11 -13.893 -2.252 -0.372
68 HZ2 LYS 11 1HZ LYS 11 -12.825 -2.811 0.816
69 HZ3 LYS 11 2HZ LYS 11 -13.698 -3.914 -0.123
70 H CYS 12 H CYS 12 -8.084 -6.825 -6.035
71 HA CYS 12 HA CYS 12 -5.805 -6.215 -4.660
72 HB2 CYS 12 1HB CYS 12 -6.374 -6.066 -7.618
73 HB3 CYS 12 2HB CYS 12 -4.762 -5.821 -6.958
74 HG CYS 12 HG CYS 12 -5.619 -8.541 -5.579
75 H PHE 13 H PHE 13 -4.211 -4.439 -5.105
76 HA PHE 13 HA PHE 13 -5.453 -1.849 -5.645
77 HB2 PHE 13 1HB PHE 13 -3.762 -2.274 -3.182
78 HB3 PHE 13 2HB PHE 13 -4.693 -0.845 -3.619
79 HD1 PHE 13 HD1 PHE 13 -7.183 -0.941 -3.556
80 HD2 PHE 13 HD2 PHE 13 -4.741 -4.061 -2.002
81 HE1 PHE 13 HE1 PHE 13 -9.096 -1.790 -2.263
82 HE2 PHE 13 HE2 PHE 13 -6.650 -4.916 -0.708
83 HZ PHE 13 HZ PHE 13 -8.832 -3.781 -0.838
84 H LYS 14 H LYS 14 -4.177 -0.552 -6.808
85 HA LYS 14 HA LYS 14 -1.318 -1.247 -7.005
86 HB2 LYS 14 1HB LYS 14 -2.260 -1.781 -9.101
87 HB3 LYS 14 2HB LYS 14 -3.270 -0.341 -9.109
88 HG2 LYS 14 1HG LYS 14 -1.502 1.050 -9.682
89 HG3 LYS 14 2HG LYS 14 -0.287 -0.114 -9.151
90 HD2 LYS 14 1HD LYS 14 -2.123 -0.849 -11.385
91 HD3 LYS 14 2HD LYS 14 -0.776 0.245 -11.705
92 HE2 LYS 14 1HE LYS 14 0.802 -1.365 -11.317
93 HE3 LYS 14 2HE LYS 14 -0.223 -2.252 -10.190
94 HZ1 LYS 14 3HZ LYS 14 -0.624 -3.641 -11.856
95 HZ2 LYS 14 1HZ LYS 14 0.121 -2.630 -12.990
96 HZ3 LYS 14 2HZ LYS 14 -1.512 -2.412 -12.606
97 H CYS 15 H CYS 15 0.176 0.457 -7.227
98 HA CYS 15 HA CYS 15 -0.649 2.893 -5.902
99 HB2 CYS 15 1HB CYS 15 1.567 1.519 -5.590
100 HB3 CYS 15 2HB CYS 15 2.112 2.458 -6.976
101 H ASN 16 H ASN 16 0.498 4.969 -6.800
102 HA ASN 16 HA ASN 16 -0.308 5.194 -9.618
103 HB2 ASN 16 1HB ASN 16 -0.062 7.311 -7.470
104 HB3 ASN 16 2HB ASN 16 -0.487 7.636 -9.148
105 HD21 ASN 16 1HD2 ASN 16 -2.263 5.844 -9.840
106 HD22 ASN 16 2HD2 ASN 16 -3.654 5.873 -8.815
107 H LYS 17 H LYS 17 2.117 6.507 -7.358
108 HA LYS 17 HA LYS 17 3.809 7.599 -9.307
109 HB2 LYS 17 1HB LYS 17 4.226 6.709 -6.469
110 HB3 LYS 17 2HB LYS 17 5.582 7.274 -7.436
111 HG2 LYS 17 1HG LYS 17 4.850 9.143 -6.228
112 HG3 LYS 17 2HG LYS 17 4.224 9.370 -7.862
113 HD2 LYS 17 1HD LYS 17 2.039 8.624 -7.185
114 HD3 LYS 17 2HD LYS 17 2.639 8.189 -5.583
115 HE2 LYS 17 1HE LYS 17 3.172 10.554 -5.166
116 HE3 LYS 17 2HE LYS 17 2.521 10.969 -6.751
117 HZ1 LYS 17 3HZ LYS 17 0.630 11.280 -5.625
118 HZ2 LYS 17 1HZ LYS 17 1.137 10.372 -4.290
119 HZ3 LYS 17 2HZ LYS 17 0.493 9.594 -5.647
120 H CYS 18 H CYS 18 4.655 4.766 -7.325
121 HA CYS 18 HA CYS 18 6.517 3.811 -9.256
122 HB2 CYS 18 1HB CYS 18 6.746 1.870 -7.771
123 HB3 CYS 18 2HB CYS 18 6.804 3.376 -6.860
124 H GLU 19 H GLU 19 3.182 3.049 -8.463
125 HA GLU 19 HA GLU 19 1.579 1.941 -9.648
126 HB2 GLU 19 1HB GLU 19 3.603 1.434 -11.820
127 HB3 GLU 19 2HB GLU 19 1.854 1.521 -11.964
128 HG2 GLU 19 1HG GLU 19 1.905 3.901 -11.527
129 HG3 GLU 19 2HG GLU 19 3.650 3.838 -11.284
130 H LYS 20 H LYS 20 2.954 0.592 -7.703
131 HA LYS 20 HA LYS 20 3.468 -2.071 -8.835
132 HB2 LYS 20 1HB LYS 20 4.354 -0.681 -6.338
133 HB3 LYS 20 2HB LYS 20 4.280 -2.438 -6.360
134 HG2 LYS 20 1HG LYS 20 5.925 -2.606 -8.007
135 HG3 LYS 20 2HG LYS 20 5.755 -0.913 -8.476
136 HD2 LYS 20 1HD LYS 20 6.693 -0.221 -6.325
137 HD3 LYS 20 2HD LYS 20 6.849 -1.913 -5.845
138 HE2 LYS 20 1HE LYS 20 8.394 -2.295 -7.702
139 HE3 LYS 20 2HE LYS 20 8.229 -0.610 -8.191
140 HZ1 LYS 20 3HZ LYS 20 9.258 0.102 -6.184
141 HZ2 LYS 20 1HZ LYS 20 10.245 -1.098 -6.855
142 HZ3 LYS 20 2HZ LYS 20 9.247 -1.461 -5.538
143 H THR 21 H THR 21 2.423 -3.896 -8.030
144 HA THR 21 HA THR 21 -0.162 -3.341 -6.783
145 HB THR 21 HB THR 21 -0.730 -5.674 -7.423
146 HG1 THR 21 HG1 THR 21 1.667 -5.714 -8.929
147 HG21 THR 21 3HG2 THR 21 0.370 -4.126 -9.765
148 HG22 THR 21 1HG2 THR 21 -1.123 -3.701 -8.929
149 HG23 THR 21 2HG2 THR 21 -0.988 -5.250 -9.760
150 H PHE 22 H PHE 22 -0.864 -4.311 -4.902
151 HA PHE 22 HA PHE 22 1.160 -5.815 -3.378
152 HB2 PHE 22 1HB PHE 22 -0.749 -3.723 -2.311
153 HB3 PHE 22 2HB PHE 22 0.338 -4.701 -1.330
154 HD1 PHE 22 HD2 PHE 22 0.182 -2.056 -3.892
155 HD2 PHE 22 HD1 PHE 22 2.623 -4.143 -1.099
156 HE1 PHE 22 HE2 PHE 22 1.954 -0.375 -4.190
157 HE2 PHE 22 HE1 PHE 22 4.399 -2.465 -1.392
158 HZ PHE 22 HZ PHE 22 4.066 -0.579 -2.940
159 H SER 23 H SER 23 0.098 -6.949 -1.437
160 HA SER 23 HA SER 23 -2.111 -8.516 -2.486
161 HB2 SER 23 1HB SER 23 -0.100 -8.852 -0.312
162 HB3 SER 23 2HB SER 23 -1.635 -9.703 -0.143
163 HG SER 23 HG SER 23 -1.133 -10.351 -2.456
164 H CYS 24 H CYS 24 -1.388 -6.828 0.572
165 HA CYS 24 HA CYS 24 -4.282 -6.628 1.053
166 HB2 CYS 24 1HB CYS 24 -1.909 -6.839 2.844
167 HB3 CYS 24 2HB CYS 24 -3.289 -5.911 3.420
168 HG CYS 24 HG CYS 24 -3.136 -8.693 4.323
169 H SER 25 H SER 25 -4.787 -4.600 2.480
170 HA SER 25 HA SER 25 -4.002 -2.314 0.888
171 HB2 SER 25 1HB SER 25 -6.337 -2.485 1.443
172 HB3 SER 25 2HB SER 25 -5.971 -2.635 3.162
173 HG SER 25 HG SER 25 -5.682 -0.365 1.497
174 H LYS 26 H LYS 26 -3.579 -3.494 4.176
175 HA LYS 26 HA LYS 26 -2.493 -1.215 5.355
176 HB2 LYS 26 1HB LYS 26 -1.395 -2.796 6.935
177 HB3 LYS 26 2HB LYS 26 -3.109 -3.113 6.702
178 HG2 LYS 26 1HG LYS 26 -2.648 -4.985 5.300
179 HG3 LYS 26 2HG LYS 26 -0.928 -4.594 5.252
180 HD2 LYS 26 1HD LYS 26 -2.276 -5.116 7.871
181 HD3 LYS 26 2HD LYS 26 -1.781 -6.465 6.846
182 HE2 LYS 26 1HE LYS 26 0.119 -6.224 8.081
183 HE3 LYS 26 2HE LYS 26 0.485 -5.098 6.776
184 HZ1 LYS 26 3HZ LYS 26 -0.912 -4.109 9.162
185 HZ2 LYS 26 1HZ LYS 26 0.131 -3.291 8.112
186 HZ3 LYS 26 2HZ LYS 26 0.756 -4.379 9.245
187 H TYR 27 H TYR 27 -1.171 -3.327 2.992
188 HA TYR 27 HA TYR 27 1.580 -2.580 3.511
189 HB2 TYR 27 1HB TYR 27 0.184 -4.435 1.647
190 HB3 TYR 27 2HB TYR 27 1.762 -3.829 1.160
191 HD1 TYR 27 HD1 TYR 27 3.617 -3.995 3.058
192 HD2 TYR 27 HD2 TYR 27 0.105 -6.390 2.871
193 HE1 TYR 27 HE1 TYR 27 4.708 -5.694 4.462
194 HE2 TYR 27 HE2 TYR 27 1.186 -8.095 4.275
195 HH TYR 27 HH TYR 27 4.525 -8.079 4.943
196 H LEU 28 H LEU 28 -0.980 -1.799 1.231
197 HA LEU 28 HA LEU 28 0.690 -0.190 -0.456
198 HB2 LEU 28 1HB LEU 28 -1.286 -1.280 -1.345
199 HB3 LEU 28 2HB LEU 28 -2.309 -0.384 -0.224
200 HG LEU 28 HG LEU 28 -1.864 1.677 -1.383
201 HD11 LEU 28 1HD1 LEU 28 0.189 1.854 -2.261
202 HD12 LEU 28 2HD1 LEU 28 -0.540 1.130 -3.695
203 HD13 LEU 28 3HD1 LEU 28 0.329 0.118 -2.541
204 HD21 LEU 28 3HD2 LEU 28 -2.838 1.158 -3.577
205 HD22 LEU 28 1HD2 LEU 28 -3.657 0.302 -2.270
206 HD23 LEU 28 2HD2 LEU 28 -2.516 -0.556 -3.305
207 H THR 29 H THR 29 -1.561 0.407 2.192
208 HA THR 29 HA THR 29 -1.726 3.184 2.031
209 HB THR 29 HB THR 29 -1.748 1.500 4.543
210 HG1 THR 29 HG1 THR 29 -3.325 0.978 2.842
211 HG21 THR 29 3HG2 THR 29 -3.249 3.405 5.328
212 HG22 THR 29 1HG2 THR 29 -2.619 4.320 3.959
213 HG23 THR 29 2HG2 THR 29 -1.524 3.750 5.217
214 H GLN 30 H GLN 30 0.297 1.385 4.358
215 HA GLN 30 HA GLN 30 1.845 3.545 5.170
216 HB2 GLN 30 1HB GLN 30 2.259 0.582 5.182
217 HB3 GLN 30 2HB GLN 30 3.587 1.638 5.642
218 HG2 GLN 30 1HG GLN 30 0.911 1.978 6.915
219 HG3 GLN 30 2HG GLN 30 1.988 0.689 7.451
220 HE21 GLN 30 1HE2 GLN 30 1.252 3.998 7.606
221 HE22 GLN 30 2HE2 GLN 30 2.586 4.495 8.584
222 H HIS 31 H HIS 31 2.332 1.290 2.497
223 HA HIS 31 HA HIS 31 4.910 2.056 1.751
224 HB2 HIS 31 1HB HIS 31 4.227 0.161 0.636
225 HB3 HIS 31 2HB HIS 31 2.605 0.784 0.349
226 HD1 HIS 31 HD1 HIS 31 5.897 0.408 -1.219
227 HD2 HIS 31 HD2 HIS 31 2.460 2.653 -1.854
228 HE1 HIS 31 HE1 HIS 31 6.093 1.288 -3.566
229 H GLU 32 H GLU 32 1.784 3.235 0.505
230 HA GLU 32 HA GLU 32 2.526 5.032 -1.363
231 HB2 GLU 32 1HB GLU 32 0.396 5.166 0.740
232 HB3 GLU 32 2HB GLU 32 0.636 6.528 -0.345
233 HG2 GLU 32 1HG GLU 32 0.364 3.815 -1.523
234 HG3 GLU 32 2HG GLU 32 -1.076 4.612 -0.893
235 H ARG 33 H ARG 33 3.187 5.241 2.027
236 HA ARG 33 HA ARG 33 3.672 7.983 2.296
237 HB2 ARG 33 1HB ARG 33 5.057 5.691 3.702
238 HB3 ARG 33 2HB ARG 33 5.058 7.369 4.230
239 HG2 ARG 33 1HG ARG 33 2.766 7.310 4.763
240 HG3 ARG 33 2HG ARG 33 2.528 5.788 3.902
241 HD2 ARG 33 1HD ARG 33 2.564 5.190 6.167
242 HD3 ARG 33 2HD ARG 33 4.173 4.784 5.572
243 HE ARG 33 HE ARG 33 5.054 6.372 6.967
244 HH11 ARG 33 1HH1 ARG 33 1.618 6.865 6.694
245 HH12 ARG 33 2HH1 ARG 33 1.560 8.068 7.940
246 HH21 ARG 33 1HH2 ARG 33 4.990 7.955 8.608
247 HH22 ARG 33 2HH2 ARG 33 3.479 8.688 9.027
248 H ILE 34 H ILE 34 5.886 5.344 1.419
249 HA ILE 34 HA ILE 34 8.295 6.528 1.285
250 HB ILE 34 HB ILE 34 8.946 5.051 -0.437
251 HG12 ILE 34 1HG1 ILE 34 6.036 4.758 -1.211
252 HG13 ILE 34 2HG1 ILE 34 7.194 5.775 -2.061
253 HG21 ILE 34 1HG2 ILE 34 7.546 4.175 1.749
254 HG22 ILE 34 2HG2 ILE 34 6.772 3.307 0.425
255 HG23 ILE 34 3HG2 ILE 34 8.511 3.161 0.677
256 HD11 ILE 34 3HD1 ILE 34 8.296 3.992 -2.975
257 HD12 ILE 34 1HD1 ILE 34 7.815 2.892 -1.683
258 HD13 ILE 34 2HD1 ILE 34 6.646 3.373 -2.913
259 H HIS 35 H HIS 35 5.554 7.319 -0.686
260 HA HIS 35 HA HIS 35 7.173 9.036 -2.417
261 HB2 HIS 35 1HB HIS 35 4.198 8.590 -2.616
262 HB3 HIS 35 2HB HIS 35 5.295 9.170 -3.865
263 HD1 HIS 35 HD1 HIS 35 7.190 7.256 -4.556
264 HD2 HIS 35 HD2 HIS 35 3.628 5.961 -2.852
265 HE1 HIS 35 HE1 HIS 35 7.002 4.822 -5.159
266 H THR 36 H THR 36 7.687 10.603 -0.818
267 HA THR 36 HA THR 36 5.598 12.606 -0.505
268 HB THR 36 HB THR 36 6.455 12.878 1.961
269 HG1 THR 36 HG1 THR 36 6.628 10.073 1.846
270 HG21 THR 36 3HG2 THR 36 4.531 10.690 1.164
271 HG22 THR 36 1HG2 THR 36 4.138 12.400 1.333
272 HG23 THR 36 2HG2 THR 36 4.615 11.461 2.748
273 H ARG 37 H ARG 37 6.633 14.570 0.753
274 HA ARG 37 HA ARG 37 8.112 16.294 0.641
275 HB2 ARG 37 1HB ARG 37 10.078 13.999 0.591
276 HB3 ARG 37 2HB ARG 37 10.535 15.686 0.792
277 HG2 ARG 37 1HG ARG 37 8.514 14.553 2.648
278 HG3 ARG 37 2HG ARG 37 10.202 14.082 2.853
279 HD2 ARG 37 1HD ARG 37 10.019 15.951 4.215
280 HD3 ARG 37 2HD ARG 37 10.683 16.616 2.723
281 HE ARG 37 HE ARG 37 8.726 17.775 2.398
282 HH11 ARG 37 1HH1 ARG 37 8.284 15.418 4.921
283 HH12 ARG 37 2HH1 ARG 37 6.738 16.032 5.404
284 HH21 ARG 37 1HH2 ARG 37 6.691 18.594 3.024
285 HH22 ARG 37 2HH2 ARG 37 5.832 17.838 4.324
286 H GLY 38 H GLY 38 6.921 15.869 -1.729
287 HA2 GLY 38 1HA GLY 38 8.797 15.480 -3.867
288 HA3 GLY 38 2HA GLY 38 7.134 16.028 -4.024
289 H VAL 39 H VAL 39 9.099 17.119 -5.593
290 HA VAL 39 HA VAL 39 10.254 19.473 -4.513
291 HB VAL 39 HB VAL 39 10.575 20.147 -6.893
292 HG11 VAL 39 1HG1 VAL 39 11.974 18.404 -5.486
293 HG12 VAL 39 2HG1 VAL 39 11.413 17.298 -6.741
294 HG13 VAL 39 3HG1 VAL 39 12.345 18.731 -7.179
295 HG21 VAL 39 3HG2 VAL 39 8.513 19.124 -7.775
296 HG22 VAL 39 1HG2 VAL 39 9.947 18.621 -8.669
297 HG23 VAL 39 2HG2 VAL 39 9.207 17.526 -7.502
298 H LYS 40 H LYS 40 7.085 18.703 -5.517
299 HA LYS 40 HA LYS 40 6.374 21.561 -5.621
300 HB2 LYS 40 1HB LYS 40 5.908 20.308 -7.706
301 HB3 LYS 40 2HB LYS 40 4.870 19.216 -6.798
302 HG2 LYS 40 1HG LYS 40 3.652 21.443 -6.130
303 HG3 LYS 40 2HG LYS 40 4.411 22.041 -7.608
304 HD2 LYS 40 1HD LYS 40 3.294 20.456 -8.945
305 HD3 LYS 40 2HD LYS 40 2.828 19.485 -7.546
306 HE2 LYS 40 1HE LYS 40 1.855 22.295 -8.023
307 HE3 LYS 40 2HE LYS 40 0.988 20.861 -8.570
308 HZ1 LYS 40 3HZ LYS 40 0.006 21.237 -6.556
309 HZ2 LYS 40 1HZ LYS 40 1.412 21.846 -5.838
310 HZ3 LYS 40 2HZ LYS 40 1.240 20.182 -6.082
311 H SER 41 H SER 41 6.232 21.679 -3.330
312 HA SER 41 HA SER 41 4.141 20.072 -2.062
313 HB2 SER 41 1HB SER 41 6.397 20.335 -0.975
314 HB3 SER 41 2HB SER 41 6.022 22.043 -0.749
315 HG SER 41 HG SER 41 4.538 21.546 0.726
316 H GLY 42 H GLY 42 5.103 23.490 -2.373
317 HA2 GLY 42 1HA GLY 42 3.029 24.828 -3.148
318 HA3 GLY 42 2HA GLY 42 2.365 24.262 -1.623
319 HA PRO 43 HA PRO 43 5.206 28.142 -1.253
320 HB2 PRO 43 1HB PRO 43 3.443 30.151 -1.726
321 HB3 PRO 43 2HB PRO 43 4.450 29.439 -2.992
322 HG2 PRO 43 1HG PRO 43 1.583 28.897 -2.322
323 HG3 PRO 43 2HG PRO 43 2.341 29.100 -3.912
324 HD2 PRO 43 1HD PRO 43 1.746 26.668 -2.882
325 HD3 PRO 43 2HD PRO 43 3.141 26.939 -3.947
326 H SER 44 H SER 44 2.155 27.040 -0.166
327 HA SER 44 HA SER 44 2.065 28.876 2.096
328 HB2 SER 44 1HB SER 44 0.039 27.928 0.687
329 HB3 SER 44 2HB SER 44 0.175 26.575 1.809
330 HG SER 44 HG SER 44 -1.168 28.646 2.292
331 H SER 45 H SER 45 1.400 27.714 4.246
332 HA SER 45 HA SER 45 3.555 26.535 5.382
333 HB2 SER 45 1HB SER 45 2.131 25.771 7.166
334 HB3 SER 45 2HB SER 45 1.473 27.295 6.570
335 HG SER 45 HG SER 45 -0.053 25.491 6.904
336 H GLY 46 H GLY 46 4.682 24.790 4.850
337 HA2 GLY 46 1HA GLY 46 3.984 22.199 4.997
338 HA3 GLY 46 2HA GLY 46 3.443 22.620 3.379
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -28.828 -5.451 -21.486
2 HA2 GLY 1 1HA GLY 1 -30.024 -7.197 -20.576
3 HA3 GLY 1 2HA GLY 1 -29.251 -8.259 -21.743
4 H SER 2 H SER 2 -27.727 -6.245 -19.261
5 HA SER 2 HA SER 2 -26.284 -8.577 -18.300
6 HB2 SER 2 1HB SER 2 -26.062 -5.689 -17.419
7 HB3 SER 2 2HB SER 2 -24.938 -6.991 -17.033
8 HG SER 2 HG SER 2 -24.810 -5.395 -19.078
9 H SER 3 H SER 3 -26.033 -8.886 -15.926
10 HA SER 3 HA SER 3 -28.662 -8.698 -14.650
11 HB2 SER 3 1HB SER 3 -27.565 -10.932 -14.852
12 HB3 SER 3 2HB SER 3 -26.265 -10.348 -13.814
13 HG SER 3 HG SER 3 -28.247 -9.796 -12.392
14 H GLY 4 H GLY 4 -28.947 -7.875 -12.573
15 HA2 GLY 4 1HA GLY 4 -27.082 -5.787 -11.853
16 HA3 GLY 4 2HA GLY 4 -28.627 -6.120 -11.084
17 H SER 5 H SER 5 -25.258 -7.145 -11.283
18 HA SER 5 HA SER 5 -25.375 -7.908 -8.469
19 HB2 SER 5 1HB SER 5 -25.791 -10.020 -9.568
20 HB3 SER 5 2HB SER 5 -24.438 -9.762 -10.670
21 HG SER 5 HG SER 5 -23.122 -10.462 -9.191
22 H SER 6 H SER 6 -23.399 -7.782 -7.394
23 HA SER 6 HA SER 6 -21.649 -5.813 -8.024
24 HB2 SER 6 1HB SER 6 -21.184 -8.358 -6.473
25 HB3 SER 6 2HB SER 6 -19.951 -7.103 -6.600
26 HG SER 6 HG SER 6 -21.746 -7.157 -4.814
27 H GLY 7 H GLY 7 -19.998 -5.479 -9.388
28 HA2 GLY 7 1HA GLY 7 -19.221 -7.726 -11.126
29 HA3 GLY 7 2HA GLY 7 -19.104 -6.025 -11.552
30 H GLN 8 H GLN 8 -18.044 -7.549 -8.546
31 HA GLN 8 HA GLN 8 -15.253 -7.279 -9.352
32 HB2 GLN 8 1HB GLN 8 -16.443 -5.899 -6.942
33 HB3 GLN 8 2HB GLN 8 -14.717 -6.083 -7.223
34 HG2 GLN 8 1HG GLN 8 -16.466 -4.767 -9.260
35 HG3 GLN 8 2HG GLN 8 -15.862 -3.872 -7.866
36 HE21 GLN 8 1HE2 GLN 8 -14.107 -2.759 -8.280
37 HE22 GLN 8 2HE2 GLN 8 -12.856 -3.191 -9.390
38 H LYS 9 H LYS 9 -14.258 -9.103 -8.845
39 HA LYS 9 HA LYS 9 -15.297 -10.709 -6.611
40 HB2 LYS 9 1HB LYS 9 -13.887 -11.417 -9.162
41 HB3 LYS 9 2HB LYS 9 -13.831 -12.516 -7.790
42 HG2 LYS 9 1HG LYS 9 -16.163 -12.843 -7.827
43 HG3 LYS 9 2HG LYS 9 -16.413 -11.478 -8.917
44 HD2 LYS 9 1HD LYS 9 -15.734 -12.652 -10.763
45 HD3 LYS 9 2HD LYS 9 -14.673 -13.712 -9.832
46 HE2 LYS 9 1HE LYS 9 -16.409 -15.099 -9.190
47 HE3 LYS 9 2HE LYS 9 -17.633 -13.856 -9.446
48 HZ1 LYS 9 3HZ LYS 9 -16.920 -14.081 -11.904
49 HZ2 LYS 9 1HZ LYS 9 -17.950 -15.244 -11.234
50 HZ3 LYS 9 2HZ LYS 9 -16.304 -15.582 -11.424
51 H GLU 10 H GLU 10 -12.161 -10.139 -8.223
52 HA GLU 10 HA GLU 10 -10.876 -10.333 -5.584
53 HB2 GLU 10 1HB GLU 10 -9.645 -10.649 -8.327
54 HB3 GLU 10 2HB GLU 10 -8.810 -10.853 -6.794
55 HG2 GLU 10 1HG GLU 10 -10.413 -12.704 -6.271
56 HG3 GLU 10 2HG GLU 10 -11.003 -12.568 -7.927
57 H LYS 11 H LYS 11 -10.172 -8.520 -4.693
58 HA LYS 11 HA LYS 11 -9.887 -6.129 -6.355
59 HB2 LYS 11 1HB LYS 11 -11.295 -6.144 -4.247
60 HB3 LYS 11 2HB LYS 11 -9.794 -6.293 -3.343
61 HG2 LYS 11 1HG LYS 11 -9.019 -4.171 -4.257
62 HG3 LYS 11 2HG LYS 11 -10.510 -4.024 -5.191
63 HD2 LYS 11 1HD LYS 11 -11.821 -3.797 -3.228
64 HD3 LYS 11 2HD LYS 11 -10.479 -4.287 -2.192
65 HE2 LYS 11 1HE LYS 11 -10.486 -1.993 -1.921
66 HE3 LYS 11 2HE LYS 11 -9.288 -2.209 -3.196
67 HZ1 LYS 11 3HZ LYS 11 -10.585 -1.193 -4.702
68 HZ2 LYS 11 1HZ LYS 11 -11.337 -0.509 -3.349
69 HZ3 LYS 11 2HZ LYS 11 -12.019 -1.861 -4.102
70 H CYS 12 H CYS 12 -7.990 -5.108 -6.688
71 HA CYS 12 HA CYS 12 -5.617 -6.152 -5.289
72 HB2 CYS 12 1HB CYS 12 -5.971 -5.483 -8.208
73 HB3 CYS 12 2HB CYS 12 -4.383 -5.593 -7.459
74 HG CYS 12 HG CYS 12 -4.213 -8.189 -7.333
75 H PHE 13 H PHE 13 -4.808 -4.630 -4.019
76 HA PHE 13 HA PHE 13 -5.343 -1.836 -4.491
77 HB2 PHE 13 1HB PHE 13 -3.549 -3.040 -2.379
78 HB3 PHE 13 2HB PHE 13 -4.297 -1.446 -2.364
79 HD1 PHE 13 HD1 PHE 13 -6.787 -1.273 -2.138
80 HD2 PHE 13 HD2 PHE 13 -4.676 -4.922 -1.544
81 HE1 PHE 13 HE1 PHE 13 -8.719 -2.189 -0.920
82 HE2 PHE 13 HE2 PHE 13 -6.605 -5.844 -0.327
83 HZ PHE 13 HZ PHE 13 -8.630 -4.477 -0.014
84 H LYS 14 H LYS 14 -4.247 -1.036 -6.203
85 HA LYS 14 HA LYS 14 -1.351 -1.510 -6.350
86 HB2 LYS 14 1HB LYS 14 -2.880 -1.976 -8.343
87 HB3 LYS 14 2HB LYS 14 -3.062 -0.232 -8.479
88 HG2 LYS 14 1HG LYS 14 -0.922 0.076 -9.210
89 HG3 LYS 14 2HG LYS 14 -0.313 -1.355 -8.374
90 HD2 LYS 14 1HD LYS 14 -0.252 -2.054 -10.568
91 HD3 LYS 14 2HD LYS 14 -1.844 -2.633 -10.068
92 HE2 LYS 14 1HE LYS 14 -1.505 0.074 -11.311
93 HE3 LYS 14 2HE LYS 14 -1.620 -1.373 -12.312
94 HZ1 LYS 14 3HZ LYS 14 -3.639 -0.665 -10.261
95 HZ2 LYS 14 1HZ LYS 14 -3.766 -1.832 -11.479
96 HZ3 LYS 14 2HZ LYS 14 -3.764 -0.189 -11.880
97 H CYS 15 H CYS 15 0.106 0.194 -6.488
98 HA CYS 15 HA CYS 15 -0.666 2.581 -5.115
99 HB2 CYS 15 1HB CYS 15 1.641 1.283 -5.194
100 HB3 CYS 15 2HB CYS 15 1.949 2.370 -6.545
101 H ASN 16 H ASN 16 0.381 4.717 -6.113
102 HA ASN 16 HA ASN 16 -0.856 5.018 -8.765
103 HB2 ASN 16 1HB ASN 16 -0.398 7.002 -6.533
104 HB3 ASN 16 2HB ASN 16 -0.902 7.480 -8.152
105 HD21 ASN 16 1HD2 ASN 16 -2.692 8.353 -6.780
106 HD22 ASN 16 2HD2 ASN 16 -4.049 7.319 -6.506
107 H LYS 17 H LYS 17 1.782 6.494 -6.865
108 HA LYS 17 HA LYS 17 3.166 7.615 -8.997
109 HB2 LYS 17 1HB LYS 17 3.929 6.748 -6.242
110 HB3 LYS 17 2HB LYS 17 5.205 7.198 -7.365
111 HG2 LYS 17 1HG LYS 17 4.818 9.203 -6.352
112 HG3 LYS 17 2HG LYS 17 3.708 9.324 -7.719
113 HD2 LYS 17 1HD LYS 17 1.880 8.524 -6.266
114 HD3 LYS 17 2HD LYS 17 3.003 8.491 -4.905
115 HE2 LYS 17 1HE LYS 17 1.773 10.526 -4.767
116 HE3 LYS 17 2HE LYS 17 3.406 10.932 -5.293
117 HZ1 LYS 17 3HZ LYS 17 2.033 10.524 -7.615
118 HZ2 LYS 17 1HZ LYS 17 2.430 12.025 -6.944
119 HZ3 LYS 17 2HZ LYS 17 0.917 11.335 -6.636
120 H CYS 18 H CYS 18 4.193 4.671 -7.262
121 HA CYS 18 HA CYS 18 5.831 3.844 -9.473
122 HB2 CYS 18 1HB CYS 18 6.350 1.891 -8.079
123 HB3 CYS 18 2HB CYS 18 6.519 3.387 -7.166
124 H GLU 19 H GLU 19 2.682 3.001 -8.180
125 HA GLU 19 HA GLU 19 0.944 1.839 -9.087
126 HB2 GLU 19 1HB GLU 19 2.596 1.505 -11.587
127 HB3 GLU 19 2HB GLU 19 0.845 1.456 -11.436
128 HG2 GLU 19 1HG GLU 19 0.753 3.805 -10.992
129 HG3 GLU 19 2HG GLU 19 2.512 3.904 -10.916
130 H LYS 20 H LYS 20 2.666 0.489 -7.451
131 HA LYS 20 HA LYS 20 3.135 -2.103 -8.744
132 HB2 LYS 20 1HB LYS 20 4.212 -0.787 -6.277
133 HB3 LYS 20 2HB LYS 20 4.257 -2.539 -6.419
134 HG2 LYS 20 1HG LYS 20 5.396 -2.101 -8.690
135 HG3 LYS 20 2HG LYS 20 5.679 -0.478 -8.054
136 HD2 LYS 20 1HD LYS 20 7.613 -1.672 -7.488
137 HD3 LYS 20 2HD LYS 20 6.660 -1.654 -6.003
138 HE2 LYS 20 1HE LYS 20 6.088 -3.891 -6.193
139 HE3 LYS 20 2HE LYS 20 6.388 -3.924 -7.930
140 HZ1 LYS 20 3HZ LYS 20 8.815 -3.474 -7.219
141 HZ2 LYS 20 1HZ LYS 20 8.196 -5.043 -7.091
142 HZ3 LYS 20 2HZ LYS 20 8.319 -4.068 -5.715
143 H THR 21 H THR 21 2.150 -3.962 -8.067
144 HA THR 21 HA THR 21 -0.282 -3.626 -6.524
145 HB THR 21 HB THR 21 -0.696 -6.019 -7.114
146 HG1 THR 21 HG1 THR 21 1.476 -5.860 -8.904
147 HG21 THR 21 3HG2 THR 21 -0.136 -5.016 -9.766
148 HG22 THR 21 1HG2 THR 21 -0.816 -3.753 -8.740
149 HG23 THR 21 2HG2 THR 21 -1.688 -5.270 -8.968
150 H PHE 22 H PHE 22 -0.689 -4.435 -4.529
151 HA PHE 22 HA PHE 22 1.497 -5.897 -3.201
152 HB2 PHE 22 1HB PHE 22 -0.360 -3.846 -1.976
153 HB3 PHE 22 2HB PHE 22 0.868 -4.759 -1.107
154 HD1 PHE 22 HD2 PHE 22 0.304 -2.155 -3.646
155 HD2 PHE 22 HD1 PHE 22 3.154 -4.130 -1.178
156 HE1 PHE 22 HE2 PHE 22 1.960 -0.413 -4.171
157 HE2 PHE 22 HE1 PHE 22 4.815 -2.391 -1.698
158 HZ PHE 22 HZ PHE 22 4.220 -0.530 -3.197
159 H SER 23 H SER 23 0.612 -6.940 -1.081
160 HA SER 23 HA SER 23 -1.463 -8.757 -1.897
161 HB2 SER 23 1HB SER 23 -0.029 -8.562 0.763
162 HB3 SER 23 2HB SER 23 -0.988 -9.927 0.191
163 HG SER 23 HG SER 23 1.453 -8.961 -0.883
164 H CYS 24 H CYS 24 -1.067 -6.577 0.900
165 HA CYS 24 HA CYS 24 -4.005 -6.453 1.090
166 HB2 CYS 24 1HB CYS 24 -1.866 -6.446 3.195
167 HB3 CYS 24 2HB CYS 24 -3.422 -5.692 3.519
168 HG CYS 24 HG CYS 24 -4.449 -8.413 2.427
169 H SER 25 H SER 25 -4.915 -4.415 1.820
170 HA SER 25 HA SER 25 -3.873 -2.213 0.388
171 HB2 SER 25 1HB SER 25 -5.703 -0.931 1.421
172 HB3 SER 25 2HB SER 25 -6.277 -2.485 0.818
173 HG SER 25 HG SER 25 -5.773 -3.160 3.130
174 H LYS 26 H LYS 26 -3.686 -3.192 3.751
175 HA LYS 26 HA LYS 26 -2.828 -0.868 4.965
176 HB2 LYS 26 1HB LYS 26 -3.275 -2.787 6.309
177 HB3 LYS 26 2HB LYS 26 -2.059 -3.741 5.470
178 HG2 LYS 26 1HG LYS 26 -0.304 -2.311 6.410
179 HG3 LYS 26 2HG LYS 26 -1.535 -1.390 7.277
180 HD2 LYS 26 1HD LYS 26 -0.781 -2.893 8.881
181 HD3 LYS 26 2HD LYS 26 -2.230 -3.681 8.252
182 HE2 LYS 26 1HE LYS 26 0.434 -4.268 7.031
183 HE3 LYS 26 2HE LYS 26 -0.020 -5.038 8.551
184 HZ1 LYS 26 3HZ LYS 26 -0.874 -6.552 7.130
185 HZ2 LYS 26 1HZ LYS 26 -1.091 -5.442 5.872
186 HZ3 LYS 26 2HZ LYS 26 -2.203 -5.505 7.145
187 H TYR 27 H TYR 27 -0.702 -3.419 3.654
188 HA TYR 27 HA TYR 27 1.717 -2.138 3.975
189 HB2 TYR 27 1HB TYR 27 0.927 -3.928 1.668
190 HB3 TYR 27 2HB TYR 27 2.572 -3.579 2.189
191 HD1 TYR 27 HD1 TYR 27 2.769 -3.976 4.927
192 HD2 TYR 27 HD2 TYR 27 0.217 -6.042 2.221
193 HE1 TYR 27 HE1 TYR 27 2.689 -5.888 6.472
194 HE2 TYR 27 HE2 TYR 27 0.128 -7.959 3.759
195 HH TYR 27 HH TYR 27 0.583 -8.646 5.874
196 H LEU 28 H LEU 28 -0.604 -1.830 1.330
197 HA LEU 28 HA LEU 28 0.985 -0.213 -0.345
198 HB2 LEU 28 1HB LEU 28 -0.926 -1.300 -1.253
199 HB3 LEU 28 2HB LEU 28 -1.995 -0.536 -0.078
200 HG LEU 28 HG LEU 28 -1.562 1.646 -1.168
201 HD11 LEU 28 1HD1 LEU 28 0.661 0.930 -2.116
202 HD12 LEU 28 2HD1 LEU 28 -0.394 1.817 -3.216
203 HD13 LEU 28 3HD1 LEU 28 -0.243 0.066 -3.361
204 HD21 LEU 28 3HD2 LEU 28 -2.592 -0.506 -3.015
205 HD22 LEU 28 1HD2 LEU 28 -2.928 1.221 -3.137
206 HD23 LEU 28 2HD2 LEU 28 -3.525 0.304 -1.754
207 H THR 29 H THR 29 -1.554 0.648 1.998
208 HA THR 29 HA THR 29 -1.592 3.374 1.720
209 HB THR 29 HB THR 29 -1.758 1.839 4.321
210 HG1 THR 29 HG1 THR 29 -3.516 1.152 3.339
211 HG21 THR 29 3HG2 THR 29 -3.368 4.189 4.273
212 HG22 THR 29 1HG2 THR 29 -1.717 4.635 3.842
213 HG23 THR 29 2HG2 THR 29 -2.036 3.790 5.357
214 H GLN 30 H GLN 30 0.369 1.684 4.181
215 HA GLN 30 HA GLN 30 1.880 3.895 4.950
216 HB2 GLN 30 1HB GLN 30 1.732 1.705 6.159
217 HB3 GLN 30 2HB GLN 30 2.814 1.022 4.953
218 HG2 GLN 30 1HG GLN 30 4.348 3.030 5.652
219 HG3 GLN 30 2HG GLN 30 3.380 2.971 7.125
220 HE21 GLN 30 1HE2 GLN 30 5.166 2.345 8.346
221 HE22 GLN 30 2HE2 GLN 30 5.812 0.745 8.268
222 H HIS 31 H HIS 31 2.618 1.385 2.545
223 HA HIS 31 HA HIS 31 5.154 2.143 1.802
224 HB2 HIS 31 1HB HIS 31 4.464 0.208 0.752
225 HB3 HIS 31 2HB HIS 31 2.881 0.865 0.346
226 HD1 HIS 31 HD1 HIS 31 6.123 0.143 -1.092
227 HD2 HIS 31 HD2 HIS 31 3.037 2.815 -1.862
228 HE1 HIS 31 HE1 HIS 31 6.507 0.954 -3.442
229 H GLU 32 H GLU 32 2.140 3.237 0.233
230 HA GLU 32 HA GLU 32 2.965 4.959 -1.624
231 HB2 GLU 32 1HB GLU 32 0.758 5.194 0.377
232 HB3 GLU 32 2HB GLU 32 1.081 6.553 -0.691
233 HG2 GLU 32 1HG GLU 32 0.799 3.850 -1.891
234 HG3 GLU 32 2HG GLU 32 -0.650 4.679 -1.324
235 H ARG 33 H ARG 33 3.296 5.462 1.826
236 HA ARG 33 HA ARG 33 3.899 8.151 1.950
237 HB2 ARG 33 1HB ARG 33 5.202 5.923 3.525
238 HB3 ARG 33 2HB ARG 33 5.200 7.625 3.967
239 HG2 ARG 33 1HG ARG 33 2.649 6.094 3.598
240 HG3 ARG 33 2HG ARG 33 3.529 6.088 5.127
241 HD2 ARG 33 1HD ARG 33 2.602 8.576 3.699
242 HD3 ARG 33 2HD ARG 33 1.717 7.790 5.006
243 HE ARG 33 HE ARG 33 4.411 8.411 5.729
244 HH11 ARG 33 1HH1 ARG 33 1.205 9.726 5.405
245 HH12 ARG 33 2HH1 ARG 33 1.458 10.976 6.578
246 HH21 ARG 33 1HH2 ARG 33 4.757 10.052 7.275
247 HH22 ARG 33 2HH2 ARG 33 3.479 11.161 7.640
248 H ILE 34 H ILE 34 6.157 5.456 1.387
249 HA ILE 34 HA ILE 34 8.568 6.579 1.266
250 HB ILE 34 HB ILE 34 9.247 5.060 -0.430
251 HG12 ILE 34 1HG1 ILE 34 6.347 4.670 -1.189
252 HG13 ILE 34 2HG1 ILE 34 7.441 5.745 -2.052
253 HG21 ILE 34 1HG2 ILE 34 8.895 3.358 0.948
254 HG22 ILE 34 2HG2 ILE 34 7.605 4.270 1.729
255 HG23 ILE 34 3HG2 ILE 34 7.236 3.209 0.370
256 HD11 ILE 34 3HD1 ILE 34 8.917 3.744 -2.432
257 HD12 ILE 34 1HD1 ILE 34 7.592 2.757 -1.815
258 HD13 ILE 34 2HD1 ILE 34 7.365 3.731 -3.269
259 H HIS 35 H HIS 35 5.981 7.211 -1.011
260 HA HIS 35 HA HIS 35 7.658 8.799 -2.751
261 HB2 HIS 35 1HB HIS 35 4.643 8.612 -2.761
262 HB3 HIS 35 2HB HIS 35 5.687 9.132 -4.081
263 HD1 HIS 35 HD1 HIS 35 7.506 7.055 -4.741
264 HD2 HIS 35 HD2 HIS 35 3.804 6.080 -3.126
265 HE1 HIS 35 HE1 HIS 35 7.106 4.655 -5.377
266 H THR 36 H THR 36 4.712 9.529 -0.871
267 HA THR 36 HA THR 36 4.987 12.321 -1.030
268 HB THR 36 HB THR 36 3.425 12.348 0.965
269 HG1 THR 36 HG1 THR 36 3.079 9.587 0.579
270 HG21 THR 36 3HG2 THR 36 2.752 12.248 -1.491
271 HG22 THR 36 1HG2 THR 36 1.542 11.732 -0.318
272 HG23 THR 36 2HG2 THR 36 2.456 10.530 -1.229
273 H ARG 37 H ARG 37 6.396 13.633 -0.088
274 HA ARG 37 HA ARG 37 8.075 12.649 2.067
275 HB2 ARG 37 1HB ARG 37 8.121 15.263 0.548
276 HB3 ARG 37 2HB ARG 37 9.313 14.770 1.743
277 HG2 ARG 37 1HG ARG 37 8.804 12.954 -0.549
278 HG3 ARG 37 2HG ARG 37 9.711 14.439 -0.842
279 HD2 ARG 37 1HD ARG 37 11.395 13.829 0.696
280 HD3 ARG 37 2HD ARG 37 10.411 12.533 1.374
281 HE ARG 37 HE ARG 37 10.693 11.754 -1.179
282 HH11 ARG 37 1HH1 ARG 37 12.991 12.850 1.195
283 HH12 ARG 37 2HH1 ARG 37 14.297 11.907 0.557
284 HH21 ARG 37 1HH2 ARG 37 12.404 10.508 -2.029
285 HH22 ARG 37 2HH2 ARG 37 13.962 10.576 -1.277
286 H GLY 38 H GLY 38 5.854 15.370 1.495
287 HA2 GLY 38 1HA GLY 38 4.637 16.657 2.955
288 HA3 GLY 38 2HA GLY 38 4.762 15.314 4.083
289 H VAL 39 H VAL 39 5.267 16.266 5.965
290 HA VAL 39 HA VAL 39 6.255 17.766 7.428
291 HB VAL 39 HB VAL 39 8.616 17.267 7.754
292 HG11 VAL 39 1HG1 VAL 39 8.457 14.804 7.948
293 HG12 VAL 39 2HG1 VAL 39 7.038 15.642 8.581
294 HG13 VAL 39 3HG1 VAL 39 6.968 14.856 7.003
295 HG21 VAL 39 3HG2 VAL 39 8.651 15.501 5.348
296 HG22 VAL 39 1HG2 VAL 39 8.970 17.226 5.163
297 HG23 VAL 39 2HG2 VAL 39 9.993 16.249 6.215
298 H LYS 40 H LYS 40 5.585 19.137 5.076
299 HA LYS 40 HA LYS 40 7.795 20.617 4.054
300 HB2 LYS 40 1HB LYS 40 6.142 21.981 2.939
301 HB3 LYS 40 2HB LYS 40 5.667 20.292 2.819
302 HG2 LYS 40 1HG LYS 40 4.214 20.764 4.882
303 HG3 LYS 40 2HG LYS 40 4.469 22.467 4.492
304 HD2 LYS 40 1HD LYS 40 3.372 22.275 2.430
305 HD3 LYS 40 2HD LYS 40 3.495 20.514 2.429
306 HE2 LYS 40 1HE LYS 40 1.762 20.262 3.933
307 HE3 LYS 40 2HE LYS 40 1.960 21.884 4.593
308 HZ1 LYS 40 3HZ LYS 40 0.717 22.804 2.955
309 HZ2 LYS 40 1HZ LYS 40 0.005 21.269 2.953
310 HZ3 LYS 40 2HZ LYS 40 1.169 21.662 1.791
311 H SER 41 H SER 41 8.474 22.692 4.527
312 HA SER 41 HA SER 41 7.406 23.856 7.015
313 HB2 SER 41 1HB SER 41 9.587 22.939 7.493
314 HB3 SER 41 2HB SER 41 10.278 23.720 6.071
315 HG SER 41 HG SER 41 9.664 24.772 8.556
316 H GLY 42 H GLY 42 6.182 25.507 6.295
317 HA2 GLY 42 1HA GLY 42 6.379 27.901 5.802
318 HA3 GLY 42 2HA GLY 42 7.507 27.468 4.526
319 HA PRO 43 HA PRO 43 3.244 28.042 2.719
320 HB2 PRO 43 1HB PRO 43 4.011 29.803 0.801
321 HB3 PRO 43 2HB PRO 43 3.535 30.302 2.429
322 HG2 PRO 43 1HG PRO 43 6.278 29.934 1.286
323 HG3 PRO 43 2HG PRO 43 5.664 31.233 2.325
324 HD2 PRO 43 1HD PRO 43 7.141 29.177 3.283
325 HD3 PRO 43 2HD PRO 43 5.876 29.971 4.242
326 H SER 44 H SER 44 6.429 27.662 1.230
327 HA SER 44 HA SER 44 7.176 26.367 -0.484
328 HB2 SER 44 1HB SER 44 4.596 24.891 0.081
329 HB3 SER 44 2HB SER 44 5.838 24.312 -1.029
330 HG SER 44 HG SER 44 5.758 24.206 1.684
331 H SER 45 H SER 45 5.939 28.743 -1.186
332 HA SER 45 HA SER 45 3.984 28.395 -3.226
333 HB2 SER 45 1HB SER 45 4.399 30.522 -1.924
334 HB3 SER 45 2HB SER 45 5.852 30.750 -2.898
335 HG SER 45 HG SER 45 3.714 31.733 -3.587
336 H GLY 46 H GLY 46 4.204 28.427 -5.457
337 HA2 GLY 46 1HA GLY 46 5.247 28.228 -7.507
338 HA3 GLY 46 2HA GLY 46 6.754 28.700 -6.736
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -35.227 -8.999 -7.094
2 HA2 GLY 1 1HA GLY 1 -35.889 -11.842 -6.980
3 HA3 GLY 1 2HA GLY 1 -35.274 -11.234 -8.510
4 H SER 2 H SER 2 -33.737 -13.085 -7.714
5 HA SER 2 HA SER 2 -31.919 -12.937 -5.723
6 HB2 SER 2 1HB SER 2 -31.848 -14.757 -7.302
7 HB3 SER 2 2HB SER 2 -31.404 -13.666 -8.614
8 HG SER 2 HG SER 2 -29.719 -14.983 -7.321
9 H SER 3 H SER 3 -29.909 -11.974 -5.356
10 HA SER 3 HA SER 3 -29.337 -9.597 -7.001
11 HB2 SER 3 1HB SER 3 -28.968 -9.833 -4.006
12 HB3 SER 3 2HB SER 3 -28.665 -8.402 -4.990
13 HG SER 3 HG SER 3 -31.201 -9.547 -5.133
14 H GLY 4 H GLY 4 -27.292 -9.350 -7.696
15 HA2 GLY 4 1HA GLY 4 -25.184 -10.979 -6.444
16 HA3 GLY 4 2HA GLY 4 -25.429 -11.062 -8.182
17 H SER 5 H SER 5 -24.422 -9.011 -5.519
18 HA SER 5 HA SER 5 -23.530 -6.915 -7.321
19 HB2 SER 5 1HB SER 5 -23.545 -7.220 -4.322
20 HB3 SER 5 2HB SER 5 -22.693 -5.895 -5.114
21 HG SER 5 HG SER 5 -25.457 -6.453 -5.071
22 H SER 6 H SER 6 -21.246 -5.987 -6.612
23 HA SER 6 HA SER 6 -19.371 -8.198 -7.026
24 HB2 SER 6 1HB SER 6 -19.048 -5.212 -7.403
25 HB3 SER 6 2HB SER 6 -17.772 -6.397 -7.686
26 HG SER 6 HG SER 6 -18.598 -6.569 -9.602
27 H GLY 7 H GLY 7 -19.234 -8.949 -4.885
28 HA2 GLY 7 1HA GLY 7 -18.143 -7.067 -2.907
29 HA3 GLY 7 2HA GLY 7 -18.866 -8.628 -2.545
30 H GLN 8 H GLN 8 -17.622 -10.474 -2.617
31 HA GLN 8 HA GLN 8 -14.769 -10.037 -2.450
32 HB2 GLN 8 1HB GLN 8 -14.649 -12.335 -1.683
33 HB3 GLN 8 2HB GLN 8 -15.934 -11.491 -0.830
34 HG2 GLN 8 1HG GLN 8 -16.551 -13.095 -3.272
35 HG3 GLN 8 2HG GLN 8 -16.337 -13.887 -1.712
36 HE21 GLN 8 1HE2 GLN 8 -18.562 -12.630 -3.752
37 HE22 GLN 8 2HE2 GLN 8 -19.827 -12.276 -2.630
38 H LYS 9 H LYS 9 -15.590 -9.502 -5.000
39 HA LYS 9 HA LYS 9 -15.382 -11.744 -6.743
40 HB2 LYS 9 1HB LYS 9 -16.432 -9.437 -7.207
41 HB3 LYS 9 2HB LYS 9 -14.789 -8.901 -7.532
42 HG2 LYS 9 1HG LYS 9 -15.708 -9.439 -9.622
43 HG3 LYS 9 2HG LYS 9 -14.650 -10.791 -9.210
44 HD2 LYS 9 1HD LYS 9 -16.513 -11.932 -9.899
45 HD3 LYS 9 2HD LYS 9 -16.870 -11.771 -8.178
46 HE2 LYS 9 1HE LYS 9 -18.182 -9.726 -8.705
47 HE3 LYS 9 2HE LYS 9 -17.911 -10.039 -10.418
48 HZ1 LYS 9 3HZ LYS 9 -19.997 -10.948 -9.939
49 HZ2 LYS 9 1HZ LYS 9 -19.474 -11.650 -8.491
50 HZ3 LYS 9 2HZ LYS 9 -18.959 -12.283 -9.973
51 H GLU 10 H GLU 10 -13.109 -9.201 -5.750
52 HA GLU 10 HA GLU 10 -10.871 -10.938 -5.937
53 HB2 GLU 10 1HB GLU 10 -11.439 -10.322 -8.381
54 HB3 GLU 10 2HB GLU 10 -10.815 -8.729 -7.976
55 HG2 GLU 10 1HG GLU 10 -9.133 -10.132 -9.054
56 HG3 GLU 10 2HG GLU 10 -8.663 -9.673 -7.418
57 H LYS 11 H LYS 11 -8.962 -10.003 -5.123
58 HA LYS 11 HA LYS 11 -9.308 -7.313 -3.970
59 HB2 LYS 11 1HB LYS 11 -9.417 -9.238 -2.327
60 HB3 LYS 11 2HB LYS 11 -7.730 -9.556 -2.710
61 HG2 LYS 11 1HG LYS 11 -7.177 -7.259 -1.969
62 HG3 LYS 11 2HG LYS 11 -8.860 -7.052 -1.479
63 HD2 LYS 11 1HD LYS 11 -7.388 -9.426 -0.459
64 HD3 LYS 11 2HD LYS 11 -6.992 -7.848 0.226
65 HE2 LYS 11 1HE LYS 11 -8.679 -8.450 1.635
66 HE3 LYS 11 2HE LYS 11 -9.628 -7.661 0.376
67 HZ1 LYS 11 3HZ LYS 11 -9.324 -10.535 0.935
68 HZ2 LYS 11 1HZ LYS 11 -9.733 -10.019 -0.623
69 HZ3 LYS 11 2HZ LYS 11 -10.736 -9.640 0.684
70 H CYS 12 H CYS 12 -7.887 -5.885 -4.697
71 HA CYS 12 HA CYS 12 -5.106 -6.522 -4.987
72 HB2 CYS 12 1HB CYS 12 -4.946 -5.938 -7.381
73 HB3 CYS 12 2HB CYS 12 -5.901 -7.392 -7.118
74 HG CYS 12 HG CYS 12 -7.589 -4.472 -7.329
75 H PHE 13 H PHE 13 -3.945 -4.772 -4.504
76 HA PHE 13 HA PHE 13 -5.179 -2.126 -4.879
77 HB2 PHE 13 1HB PHE 13 -3.477 -2.934 -2.514
78 HB3 PHE 13 2HB PHE 13 -4.281 -1.387 -2.755
79 HD1 PHE 13 HD1 PHE 13 -6.669 -1.160 -2.438
80 HD2 PHE 13 HD2 PHE 13 -4.712 -4.891 -1.833
81 HE1 PHE 13 HE1 PHE 13 -8.656 -2.007 -1.259
82 HE2 PHE 13 HE2 PHE 13 -6.696 -5.745 -0.654
83 HZ PHE 13 HZ PHE 13 -8.672 -4.303 -0.367
84 H LYS 14 H LYS 14 -4.031 -1.046 -6.328
85 HA LYS 14 HA LYS 14 -1.135 -1.511 -6.493
86 HB2 LYS 14 1HB LYS 14 -2.788 -1.738 -8.509
87 HB3 LYS 14 2HB LYS 14 -2.694 0.018 -8.546
88 HG2 LYS 14 1HG LYS 14 -0.423 0.005 -9.076
89 HG3 LYS 14 2HG LYS 14 -0.221 -1.673 -8.566
90 HD2 LYS 14 1HD LYS 14 -0.210 -1.790 -10.899
91 HD3 LYS 14 2HD LYS 14 -1.862 -2.235 -10.462
92 HE2 LYS 14 1HE LYS 14 -1.263 0.632 -10.982
93 HE3 LYS 14 2HE LYS 14 -1.348 -0.464 -12.360
94 HZ1 LYS 14 3HZ LYS 14 -3.555 -0.660 -12.166
95 HZ2 LYS 14 1HZ LYS 14 -3.464 0.764 -11.256
96 HZ3 LYS 14 2HZ LYS 14 -3.520 -0.735 -10.476
97 H CYS 15 H CYS 15 0.163 0.450 -7.154
98 HA CYS 15 HA CYS 15 -0.612 2.689 -5.429
99 HB2 CYS 15 1HB CYS 15 1.676 1.387 -5.351
100 HB3 CYS 15 2HB CYS 15 2.093 2.454 -6.688
101 H ASN 16 H ASN 16 0.461 4.850 -6.284
102 HA ASN 16 HA ASN 16 -0.589 5.229 -9.002
103 HB2 ASN 16 1HB ASN 16 -1.765 6.700 -7.639
104 HB3 ASN 16 2HB ASN 16 -0.373 7.018 -6.607
105 HD21 ASN 16 1HD2 ASN 16 -1.782 7.635 -9.760
106 HD22 ASN 16 2HD2 ASN 16 -0.938 9.114 -10.055
107 H LYS 17 H LYS 17 1.953 6.654 -6.940
108 HA LYS 17 HA LYS 17 3.473 7.766 -8.981
109 HB2 LYS 17 1HB LYS 17 4.537 6.627 -6.392
110 HB3 LYS 17 2HB LYS 17 5.300 7.859 -7.388
111 HG2 LYS 17 1HG LYS 17 2.580 8.299 -6.222
112 HG3 LYS 17 2HG LYS 17 4.038 8.582 -5.269
113 HD2 LYS 17 1HD LYS 17 3.597 9.813 -7.980
114 HD3 LYS 17 2HD LYS 17 3.079 10.590 -6.483
115 HE2 LYS 17 1HE LYS 17 5.547 10.166 -5.748
116 HE3 LYS 17 2HE LYS 17 5.841 10.034 -7.481
117 HZ1 LYS 17 3HZ LYS 17 6.158 12.300 -6.538
118 HZ2 LYS 17 1HZ LYS 17 4.497 12.359 -6.223
119 HZ3 LYS 17 2HZ LYS 17 5.051 12.232 -7.816
120 H CYS 18 H CYS 18 4.477 4.860 -7.179
121 HA CYS 18 HA CYS 18 6.222 4.013 -9.267
122 HB2 CYS 18 1HB CYS 18 6.590 2.031 -7.886
123 HB3 CYS 18 2HB CYS 18 6.653 3.489 -6.902
124 H GLU 19 H GLU 19 2.973 3.125 -8.244
125 HA GLU 19 HA GLU 19 1.296 2.063 -9.375
126 HB2 GLU 19 1HB GLU 19 3.164 1.680 -11.706
127 HB3 GLU 19 2HB GLU 19 1.408 1.750 -11.720
128 HG2 GLU 19 1HG GLU 19 1.433 4.096 -11.255
129 HG3 GLU 19 2HG GLU 19 3.178 4.074 -11.006
130 H LYS 20 H LYS 20 2.808 0.651 -7.591
131 HA LYS 20 HA LYS 20 3.367 -1.931 -8.864
132 HB2 LYS 20 1HB LYS 20 4.195 -0.641 -6.300
133 HB3 LYS 20 2HB LYS 20 4.146 -2.397 -6.380
134 HG2 LYS 20 1HG LYS 20 5.591 -2.165 -8.473
135 HG3 LYS 20 2HG LYS 20 5.852 -0.499 -7.951
136 HD2 LYS 20 1HD LYS 20 7.636 -1.526 -6.944
137 HD3 LYS 20 2HD LYS 20 6.433 -1.663 -5.659
138 HE2 LYS 20 1HE LYS 20 5.863 -3.928 -6.807
139 HE3 LYS 20 2HE LYS 20 7.464 -3.760 -7.527
140 HZ1 LYS 20 3HZ LYS 20 8.103 -3.296 -5.034
141 HZ2 LYS 20 1HZ LYS 20 7.997 -4.873 -5.638
142 HZ3 LYS 20 2HZ LYS 20 6.720 -4.224 -4.738
143 H THR 21 H THR 21 2.330 -3.813 -8.262
144 HA THR 21 HA THR 21 -0.294 -3.448 -7.072
145 HB THR 21 HB THR 21 -0.582 -5.891 -7.680
146 HG1 THR 21 HG1 THR 21 1.719 -5.559 -9.287
147 HG21 THR 21 3HG2 THR 21 -1.404 -5.231 -9.665
148 HG22 THR 21 1HG2 THR 21 0.163 -4.652 -10.228
149 HG23 THR 21 2HG2 THR 21 -0.838 -3.628 -9.198
150 H PHE 22 H PHE 22 -0.961 -4.245 -5.145
151 HA PHE 22 HA PHE 22 0.984 -5.795 -3.568
152 HB2 PHE 22 1HB PHE 22 -0.748 -3.493 -2.658
153 HB3 PHE 22 2HB PHE 22 0.091 -4.573 -1.551
154 HD1 PHE 22 HD1 PHE 22 2.552 -4.594 -1.469
155 HD2 PHE 22 HD2 PHE 22 0.405 -1.781 -3.834
156 HE1 PHE 22 HE1 PHE 22 4.571 -3.198 -1.636
157 HE2 PHE 22 HE2 PHE 22 2.421 -0.381 -4.006
158 HZ PHE 22 HZ PHE 22 4.508 -1.089 -2.906
159 H SER 23 H SER 23 -0.018 -7.001 -1.753
160 HA SER 23 HA SER 23 -2.290 -8.466 -2.707
161 HB2 SER 23 1HB SER 23 -0.921 -8.683 -0.016
162 HB3 SER 23 2HB SER 23 -1.955 -9.891 -0.779
163 HG SER 23 HG SER 23 -0.193 -9.559 -2.555
164 H CYS 24 H CYS 24 -1.670 -6.413 0.132
165 HA CYS 24 HA CYS 24 -4.581 -6.027 0.366
166 HB2 CYS 24 1HB CYS 24 -4.166 -5.695 2.831
167 HB3 CYS 24 2HB CYS 24 -3.920 -7.337 2.250
168 HG CYS 24 HG CYS 24 -1.289 -5.196 2.584
169 H SER 25 H SER 25 -4.905 -4.004 1.953
170 HA SER 25 HA SER 25 -3.676 -1.790 0.534
171 HB2 SER 25 1HB SER 25 -6.187 -2.043 1.193
172 HB3 SER 25 2HB SER 25 -5.653 -1.470 2.773
173 HG SER 25 HG SER 25 -4.800 -0.037 0.545
174 H LYS 26 H LYS 26 -3.897 -3.016 3.848
175 HA LYS 26 HA LYS 26 -2.691 -1.074 5.310
176 HB2 LYS 26 1HB LYS 26 -1.831 -2.828 6.786
177 HB3 LYS 26 2HB LYS 26 -3.472 -3.188 6.266
178 HG2 LYS 26 1HG LYS 26 -2.807 -4.943 4.927
179 HG3 LYS 26 2HG LYS 26 -1.157 -4.334 4.770
180 HD2 LYS 26 1HD LYS 26 -2.314 -5.346 7.362
181 HD3 LYS 26 2HD LYS 26 -1.426 -6.368 6.229
182 HE2 LYS 26 1HE LYS 26 0.494 -4.798 6.416
183 HE3 LYS 26 2HE LYS 26 -0.397 -3.919 7.658
184 HZ1 LYS 26 3HZ LYS 26 -0.489 -6.485 8.524
185 HZ2 LYS 26 1HZ LYS 26 0.595 -5.306 9.071
186 HZ3 LYS 26 2HZ LYS 26 1.062 -6.384 7.854
187 H TYR 27 H TYR 27 -1.229 -3.006 2.843
188 HA TYR 27 HA TYR 27 1.468 -2.205 3.606
189 HB2 TYR 27 1HB TYR 27 0.298 -4.187 1.720
190 HB3 TYR 27 2HB TYR 27 1.881 -3.529 1.323
191 HD1 TYR 27 HD1 TYR 27 3.142 -3.264 3.948
192 HD2 TYR 27 HD2 TYR 27 0.667 -6.370 2.423
193 HE1 TYR 27 HE1 TYR 27 4.196 -4.856 5.497
194 HE2 TYR 27 HE2 TYR 27 1.713 -7.971 3.969
195 HH TYR 27 HH TYR 27 3.998 -6.926 6.427
196 H LEU 28 H LEU 28 -0.995 -1.485 1.243
197 HA LEU 28 HA LEU 28 0.714 0.022 -0.495
198 HB2 LEU 28 1HB LEU 28 -1.253 -0.987 -1.409
199 HB3 LEU 28 2HB LEU 28 -2.280 -0.163 -0.237
200 HG LEU 28 HG LEU 28 -1.730 1.990 -1.316
201 HD11 LEU 28 1HD1 LEU 28 0.452 0.847 -2.301
202 HD12 LEU 28 2HD1 LEU 28 -0.326 2.219 -3.088
203 HD13 LEU 28 3HD1 LEU 28 -0.619 0.582 -3.678
204 HD21 LEU 28 3HD2 LEU 28 -3.091 1.654 -3.296
205 HD22 LEU 28 1HD2 LEU 28 -3.740 0.723 -1.945
206 HD23 LEU 28 2HD2 LEU 28 -2.820 -0.088 -3.213
207 H THR 29 H THR 29 -1.724 0.858 1.952
208 HA THR 29 HA THR 29 -1.690 3.605 1.747
209 HB THR 29 HB THR 29 -1.880 2.013 4.312
210 HG1 THR 29 HG1 THR 29 -4.072 3.029 2.853
211 HG21 THR 29 3HG2 THR 29 -1.646 4.731 4.054
212 HG22 THR 29 1HG2 THR 29 -2.422 3.901 5.402
213 HG23 THR 29 2HG2 THR 29 -3.395 4.504 4.060
214 H GLN 30 H GLN 30 0.162 1.814 4.217
215 HA GLN 30 HA GLN 30 1.783 3.943 4.984
216 HB2 GLN 30 1HB GLN 30 1.931 0.985 5.243
217 HB3 GLN 30 2HB GLN 30 3.401 1.897 5.559
218 HG2 GLN 30 1HG GLN 30 2.235 3.208 7.249
219 HG3 GLN 30 2HG GLN 30 0.751 2.314 6.924
220 HE21 GLN 30 1HE2 GLN 30 0.768 0.013 7.351
221 HE22 GLN 30 2HE2 GLN 30 1.766 -0.606 8.618
222 H HIS 31 H HIS 31 2.255 1.509 2.470
223 HA HIS 31 HA HIS 31 4.893 2.027 1.789
224 HB2 HIS 31 1HB HIS 31 4.018 0.180 0.702
225 HB3 HIS 31 2HB HIS 31 2.523 1.008 0.275
226 HD1 HIS 31 HD1 HIS 31 5.729 0.001 -1.092
227 HD2 HIS 31 HD2 HIS 31 2.915 2.949 -1.899
228 HE1 HIS 31 HE1 HIS 31 6.248 0.808 -3.416
229 H GLU 32 H GLU 32 1.990 3.415 0.242
230 HA GLU 32 HA GLU 32 3.023 5.121 -1.551
231 HB2 GLU 32 1HB GLU 32 0.709 5.357 0.304
232 HB3 GLU 32 2HB GLU 32 1.184 6.796 -0.586
233 HG2 GLU 32 1HG GLU 32 0.856 4.258 -2.091
234 HG3 GLU 32 2HG GLU 32 -0.590 5.100 -1.535
235 H ARG 33 H ARG 33 3.287 5.433 1.910
236 HA ARG 33 HA ARG 33 4.002 8.098 2.176
237 HB2 ARG 33 1HB ARG 33 5.186 5.783 3.718
238 HB3 ARG 33 2HB ARG 33 5.107 7.461 4.239
239 HG2 ARG 33 1HG ARG 33 2.594 5.984 3.596
240 HG3 ARG 33 2HG ARG 33 3.395 5.742 5.149
241 HD2 ARG 33 1HD ARG 33 2.984 7.886 5.851
242 HD3 ARG 33 2HD ARG 33 2.927 8.525 4.209
243 HE ARG 33 HE ARG 33 0.761 6.742 4.857
244 HH11 ARG 33 1HH1 ARG 33 1.895 10.033 4.909
245 HH12 ARG 33 2HH1 ARG 33 0.305 10.718 4.950
246 HH21 ARG 33 1HH2 ARG 33 -1.339 7.632 4.911
247 HH22 ARG 33 2HH2 ARG 33 -1.534 9.352 4.952
248 H ILE 34 H ILE 34 6.095 5.301 1.515
249 HA ILE 34 HA ILE 34 8.580 6.329 1.558
250 HB ILE 34 HB ILE 34 9.268 4.777 -0.092
251 HG12 ILE 34 1HG1 ILE 34 6.402 4.602 -1.042
252 HG13 ILE 34 2HG1 ILE 34 7.653 5.551 -1.838
253 HG21 ILE 34 1HG2 ILE 34 6.937 3.194 0.690
254 HG22 ILE 34 2HG2 ILE 34 8.649 2.935 1.020
255 HG23 ILE 34 3HG2 ILE 34 7.715 4.039 2.028
256 HD11 ILE 34 3HD1 ILE 34 8.655 2.931 -1.513
257 HD12 ILE 34 1HD1 ILE 34 7.020 2.805 -2.160
258 HD13 ILE 34 2HD1 ILE 34 8.231 3.770 -3.005
259 H HIS 35 H HIS 35 6.065 7.219 -0.664
260 HA HIS 35 HA HIS 35 7.880 8.690 -2.393
261 HB2 HIS 35 1HB HIS 35 4.862 8.674 -2.487
262 HB3 HIS 35 2HB HIS 35 5.974 9.128 -3.774
263 HD1 HIS 35 HD1 HIS 35 7.761 6.862 -4.177
264 HD2 HIS 35 HD2 HIS 35 3.794 6.279 -3.090
265 HE1 HIS 35 HE1 HIS 35 7.209 4.511 -4.882
266 H THR 36 H THR 36 8.659 10.136 -0.733
267 HA THR 36 HA THR 36 7.061 12.545 -0.592
268 HB THR 36 HB THR 36 7.564 12.704 1.940
269 HG1 THR 36 HG1 THR 36 7.611 9.873 1.584
270 HG21 THR 36 3HG2 THR 36 5.444 11.620 2.494
271 HG22 THR 36 1HG2 THR 36 5.460 10.777 0.945
272 HG23 THR 36 2HG2 THR 36 5.307 12.534 0.992
273 H ARG 37 H ARG 37 8.307 14.328 -0.644
274 HA ARG 37 HA ARG 37 11.196 13.983 -0.167
275 HB2 ARG 37 1HB ARG 37 10.390 14.340 -2.587
276 HB3 ARG 37 2HB ARG 37 10.040 15.990 -2.089
277 HG2 ARG 37 1HG ARG 37 12.303 16.465 -1.687
278 HG3 ARG 37 2HG ARG 37 12.749 14.757 -1.716
279 HD2 ARG 37 1HD ARG 37 12.613 14.626 -4.020
280 HD3 ARG 37 2HD ARG 37 11.532 16.015 -4.136
281 HE ARG 37 HE ARG 37 14.178 16.641 -3.177
282 HH11 ARG 37 1HH1 ARG 37 12.130 16.275 -5.969
283 HH12 ARG 37 2HH1 ARG 37 13.103 17.293 -6.978
284 HH21 ARG 37 1HH2 ARG 37 15.467 17.984 -4.495
285 HH22 ARG 37 2HH2 ARG 37 15.001 18.264 -6.139
286 H GLY 38 H GLY 38 11.221 14.752 1.926
287 HA2 GLY 38 1HA GLY 38 11.288 16.320 3.600
288 HA3 GLY 38 2HA GLY 38 11.464 17.507 2.316
289 H VAL 39 H VAL 39 9.092 15.666 4.180
290 HA VAL 39 HA VAL 39 7.367 17.954 4.347
291 HB VAL 39 HB VAL 39 6.737 17.070 2.125
292 HG11 VAL 39 1HG1 VAL 39 7.086 14.794 2.121
293 HG12 VAL 39 2HG1 VAL 39 6.348 14.569 3.707
294 HG13 VAL 39 3HG1 VAL 39 5.334 14.873 2.296
295 HG21 VAL 39 3HG2 VAL 39 4.259 16.723 2.710
296 HG22 VAL 39 1HG2 VAL 39 4.763 16.975 4.381
297 HG23 VAL 39 2HG2 VAL 39 5.016 18.244 3.183
298 H LYS 40 H LYS 40 5.795 17.754 5.952
299 HA LYS 40 HA LYS 40 5.165 17.085 8.053
300 HB2 LYS 40 1HB LYS 40 4.594 14.830 6.190
301 HB3 LYS 40 2HB LYS 40 4.373 14.548 7.912
302 HG2 LYS 40 1HG LYS 40 3.088 16.805 6.393
303 HG3 LYS 40 2HG LYS 40 2.314 15.252 6.719
304 HD2 LYS 40 1HD LYS 40 2.981 15.813 9.201
305 HD3 LYS 40 2HD LYS 40 3.001 17.469 8.591
306 HE2 LYS 40 1HE LYS 40 0.737 17.455 8.109
307 HE3 LYS 40 2HE LYS 40 0.665 15.696 8.015
308 HZ1 LYS 40 3HZ LYS 40 -0.385 16.694 10.029
309 HZ2 LYS 40 1HZ LYS 40 1.157 17.168 10.541
310 HZ3 LYS 40 2HZ LYS 40 0.794 15.526 10.359
311 H SER 41 H SER 41 7.930 17.037 7.829
312 HA SER 41 HA SER 41 9.197 14.649 8.505
313 HB2 SER 41 1HB SER 41 11.049 15.985 9.229
314 HB3 SER 41 2HB SER 41 10.306 16.831 7.872
315 HG SER 41 HG SER 41 9.055 17.831 9.826
316 H GLY 42 H GLY 42 10.274 14.236 10.676
317 HA2 GLY 42 1HA GLY 42 8.323 13.693 12.605
318 HA3 GLY 42 2HA GLY 42 10.058 13.657 12.885
319 HA PRO 43 HA PRO 43 7.798 17.450 14.822
320 HB2 PRO 43 1HB PRO 43 6.998 16.442 17.212
321 HB3 PRO 43 2HB PRO 43 5.962 16.457 15.781
322 HG2 PRO 43 1HG PRO 43 7.599 14.220 16.911
323 HG3 PRO 43 2HG PRO 43 5.946 14.183 16.269
324 HD2 PRO 43 1HD PRO 43 8.087 13.362 14.828
325 HD3 PRO 43 2HD PRO 43 6.664 14.114 14.079
326 H SER 44 H SER 44 8.823 18.759 16.323
327 HA SER 44 HA SER 44 11.083 17.562 17.783
328 HB2 SER 44 1HB SER 44 12.443 19.523 17.266
329 HB3 SER 44 2HB SER 44 11.885 18.768 15.773
330 HG SER 44 HG SER 44 11.420 21.264 16.715
331 H SER 45 H SER 45 10.986 17.913 19.893
332 HA SER 45 HA SER 45 9.127 19.896 20.933
333 HB2 SER 45 1HB SER 45 9.497 17.411 21.752
334 HB3 SER 45 2HB SER 45 10.783 18.147 22.708
335 HG SER 45 HG SER 45 9.295 18.802 24.020
336 H GLY 46 H GLY 46 9.677 21.665 22.136
337 HA2 GLY 46 1HA GLY 46 12.552 22.146 22.582
338 HA3 GLY 46 2HA GLY 46 11.553 23.369 21.811
Start of MODEL 5
1 H1 GLY 1 H GLY 1 4.857 -19.459 -4.658
2 HA2 GLY 1 1HA GLY 1 5.789 -18.443 -6.493
3 HA3 GLY 1 2HA GLY 1 6.003 -20.070 -7.122
4 H SER 2 H SER 2 3.497 -20.940 -7.589
5 HA SER 2 HA SER 2 2.797 -19.492 -9.951
6 HB2 SER 2 1HB SER 2 1.454 -21.837 -8.587
7 HB3 SER 2 2HB SER 2 1.006 -21.211 -10.174
8 HG SER 2 HG SER 2 3.112 -21.718 -10.888
9 H SER 3 H SER 3 1.064 -20.190 -6.917
10 HA SER 3 HA SER 3 -0.842 -19.272 -6.034
11 HB2 SER 3 1HB SER 3 0.987 -17.618 -5.516
12 HB3 SER 3 2HB SER 3 0.459 -16.688 -6.918
13 HG SER 3 HG SER 3 -1.721 -16.997 -5.683
14 H GLY 4 H GLY 4 -1.298 -20.135 -8.641
15 HA2 GLY 4 1HA GLY 4 -3.147 -18.051 -9.629
16 HA3 GLY 4 2HA GLY 4 -2.258 -19.116 -10.707
17 H SER 5 H SER 5 -4.692 -19.092 -8.134
18 HA SER 5 HA SER 5 -5.735 -21.637 -9.176
19 HB2 SER 5 1HB SER 5 -6.801 -21.960 -7.037
20 HB3 SER 5 2HB SER 5 -5.117 -21.525 -6.746
21 HG SER 5 HG SER 5 -7.289 -19.698 -6.687
22 H SER 6 H SER 6 -6.241 -19.277 -10.609
23 HA SER 6 HA SER 6 -7.944 -18.164 -11.628
24 HB2 SER 6 1HB SER 6 -9.508 -20.366 -10.280
25 HB3 SER 6 2HB SER 6 -10.277 -19.158 -11.310
26 HG SER 6 HG SER 6 -8.328 -21.084 -12.011
27 H GLY 7 H GLY 7 -6.971 -17.092 -9.237
28 HA2 GLY 7 1HA GLY 7 -8.813 -16.420 -7.282
29 HA3 GLY 7 2HA GLY 7 -7.472 -15.396 -7.772
30 H GLN 8 H GLN 8 -10.851 -15.827 -7.790
31 HA GLN 8 HA GLN 8 -11.296 -13.805 -9.841
32 HB2 GLN 8 1HB GLN 8 -13.100 -15.628 -8.275
33 HB3 GLN 8 2HB GLN 8 -13.753 -14.266 -9.175
34 HG2 GLN 8 1HG GLN 8 -11.998 -16.331 -10.458
35 HG3 GLN 8 2HG GLN 8 -13.744 -16.529 -10.323
36 HE21 GLN 8 1HE2 GLN 8 -15.104 -15.029 -11.402
37 HE22 GLN 8 2HE2 GLN 8 -14.534 -14.152 -12.776
38 H LYS 9 H LYS 9 -12.041 -14.308 -6.398
39 HA LYS 9 HA LYS 9 -12.537 -11.423 -6.142
40 HB2 LYS 9 1HB LYS 9 -13.462 -12.156 -3.855
41 HB3 LYS 9 2HB LYS 9 -14.400 -12.552 -5.288
42 HG2 LYS 9 1HG LYS 9 -13.999 -14.789 -5.108
43 HG3 LYS 9 2HG LYS 9 -12.447 -14.558 -4.298
44 HD2 LYS 9 1HD LYS 9 -15.075 -13.891 -2.992
45 HD3 LYS 9 2HD LYS 9 -14.339 -15.491 -2.885
46 HE2 LYS 9 1HE LYS 9 -12.293 -14.409 -1.960
47 HE3 LYS 9 2HE LYS 9 -13.170 -12.880 -1.934
48 HZ1 LYS 9 3HZ LYS 9 -13.196 -14.017 0.220
49 HZ2 LYS 9 1HZ LYS 9 -13.994 -15.334 -0.479
50 HZ3 LYS 9 2HZ LYS 9 -14.755 -13.826 -0.407
51 H GLU 10 H GLU 10 -10.214 -11.031 -6.217
52 HA GLU 10 HA GLU 10 -8.977 -11.463 -3.581
53 HB2 GLU 10 1HB GLU 10 -8.056 -12.818 -5.633
54 HB3 GLU 10 2HB GLU 10 -7.288 -11.291 -6.047
55 HG2 GLU 10 1HG GLU 10 -6.965 -12.690 -3.404
56 HG3 GLU 10 2HG GLU 10 -5.846 -12.838 -4.757
57 H LYS 11 H LYS 11 -9.658 -9.393 -2.936
58 HA LYS 11 HA LYS 11 -9.615 -6.995 -4.096
59 HB2 LYS 11 1HB LYS 11 -8.886 -5.999 -1.936
60 HB3 LYS 11 2HB LYS 11 -10.142 -7.217 -1.753
61 HG2 LYS 11 1HG LYS 11 -8.741 -8.711 -0.729
62 HG3 LYS 11 2HG LYS 11 -7.294 -8.044 -1.490
63 HD2 LYS 11 1HD LYS 11 -7.005 -7.236 0.624
64 HD3 LYS 11 2HD LYS 11 -7.970 -5.921 -0.051
65 HE2 LYS 11 1HE LYS 11 -9.977 -7.373 0.803
66 HE3 LYS 11 2HE LYS 11 -8.755 -8.073 1.864
67 HZ1 LYS 11 3HZ LYS 11 -9.039 -6.342 3.193
68 HZ2 LYS 11 1HZ LYS 11 -10.097 -5.600 2.100
69 HZ3 LYS 11 2HZ LYS 11 -8.432 -5.325 1.985
70 H CYS 12 H CYS 12 -8.223 -5.543 -4.940
71 HA CYS 12 HA CYS 12 -5.342 -6.062 -4.665
72 HB2 CYS 12 1HB CYS 12 -5.035 -5.499 -7.049
73 HB3 CYS 12 2HB CYS 12 -6.029 -6.934 -6.834
74 HG CYS 12 HG CYS 12 -8.320 -4.866 -6.954
75 H PHE 13 H PHE 13 -3.981 -4.212 -5.005
76 HA PHE 13 HA PHE 13 -5.280 -1.606 -5.079
77 HB2 PHE 13 1HB PHE 13 -3.399 -2.329 -2.828
78 HB3 PHE 13 2HB PHE 13 -4.272 -0.815 -3.040
79 HD1 PHE 13 HD1 PHE 13 -6.796 -0.857 -2.896
80 HD2 PHE 13 HD2 PHE 13 -4.349 -4.113 -1.661
81 HE1 PHE 13 HE1 PHE 13 -8.657 -1.740 -1.551
82 HE2 PHE 13 HE2 PHE 13 -6.207 -5.002 -0.315
83 HZ PHE 13 HZ PHE 13 -8.365 -3.816 -0.259
84 H LYS 14 H LYS 14 -4.233 -0.549 -6.618
85 HA LYS 14 HA LYS 14 -1.376 -1.072 -7.032
86 HB2 LYS 14 1HB LYS 14 -3.137 -1.230 -8.911
87 HB3 LYS 14 2HB LYS 14 -3.142 0.528 -8.868
88 HG2 LYS 14 1HG LYS 14 -0.854 0.633 -9.498
89 HG3 LYS 14 2HG LYS 14 -0.652 -1.107 -9.277
90 HD2 LYS 14 1HD LYS 14 -1.803 -1.618 -11.215
91 HD3 LYS 14 2HD LYS 14 -2.681 -0.087 -11.221
92 HE2 LYS 14 1HE LYS 14 -0.516 1.058 -11.715
93 HE3 LYS 14 2HE LYS 14 0.225 -0.532 -11.889
94 HZ1 LYS 14 3HZ LYS 14 -1.902 0.670 -13.565
95 HZ2 LYS 14 1HZ LYS 14 -1.517 -0.977 -13.621
96 HZ3 LYS 14 2HZ LYS 14 -0.355 0.177 -14.042
97 H CYS 15 H CYS 15 0.114 0.641 -7.261
98 HA CYS 15 HA CYS 15 -0.564 2.968 -5.650
99 HB2 CYS 15 1HB CYS 15 1.613 1.478 -5.540
100 HB3 CYS 15 2HB CYS 15 2.150 2.547 -6.831
101 H ASN 16 H ASN 16 0.744 5.034 -6.456
102 HA ASN 16 HA ASN 16 -0.167 5.512 -9.213
103 HB2 ASN 16 1HB ASN 16 -1.017 6.851 -7.089
104 HB3 ASN 16 2HB ASN 16 0.468 7.760 -7.352
105 HD21 ASN 16 1HD2 ASN 16 0.618 9.137 -9.056
106 HD22 ASN 16 2HD2 ASN 16 -0.700 9.499 -10.113
107 H LYS 17 H LYS 17 2.296 6.829 -6.991
108 HA LYS 17 HA LYS 17 3.998 7.890 -8.888
109 HB2 LYS 17 1HB LYS 17 4.044 7.874 -6.237
110 HB3 LYS 17 2HB LYS 17 5.196 6.570 -6.494
111 HG2 LYS 17 1HG LYS 17 5.588 9.094 -8.007
112 HG3 LYS 17 2HG LYS 17 5.961 9.084 -6.282
113 HD2 LYS 17 1HD LYS 17 7.651 7.515 -6.526
114 HD3 LYS 17 2HD LYS 17 7.008 6.913 -8.056
115 HE2 LYS 17 1HE LYS 17 9.005 8.166 -8.503
116 HE3 LYS 17 2HE LYS 17 7.622 9.082 -9.100
117 HZ1 LYS 17 3HZ LYS 17 9.145 9.573 -6.602
118 HZ2 LYS 17 1HZ LYS 17 7.703 10.365 -6.996
119 HZ3 LYS 17 2HZ LYS 17 9.072 10.569 -7.967
120 H CYS 18 H CYS 18 4.607 4.799 -7.211
121 HA CYS 18 HA CYS 18 6.445 3.957 -9.250
122 HB2 CYS 18 1HB CYS 18 6.649 1.907 -7.927
123 HB3 CYS 18 2HB CYS 18 6.777 3.330 -6.897
124 H GLU 19 H GLU 19 3.122 3.211 -8.354
125 HA GLU 19 HA GLU 19 1.427 2.297 -9.586
126 HB2 GLU 19 1HB GLU 19 3.352 1.827 -11.851
127 HB3 GLU 19 2HB GLU 19 1.608 2.041 -11.927
128 HG2 GLU 19 1HG GLU 19 1.802 4.366 -11.413
129 HG3 GLU 19 2HG GLU 19 3.526 4.200 -11.089
130 H LYS 20 H LYS 20 2.810 0.759 -7.780
131 HA LYS 20 HA LYS 20 3.145 -1.845 -9.101
132 HB2 LYS 20 1HB LYS 20 4.209 -0.656 -6.573
133 HB3 LYS 20 2HB LYS 20 4.022 -2.402 -6.675
134 HG2 LYS 20 1HG LYS 20 5.390 -2.304 -8.791
135 HG3 LYS 20 2HG LYS 20 5.743 -0.625 -8.379
136 HD2 LYS 20 1HD LYS 20 7.540 -1.656 -7.408
137 HD3 LYS 20 2HD LYS 20 6.403 -1.697 -6.059
138 HE2 LYS 20 1HE LYS 20 7.384 -3.861 -6.235
139 HE3 LYS 20 2HE LYS 20 5.724 -3.984 -6.816
140 HZ1 LYS 20 3HZ LYS 20 6.850 -3.553 -9.106
141 HZ2 LYS 20 1HZ LYS 20 6.860 -5.106 -8.435
142 HZ3 LYS 20 2HZ LYS 20 8.236 -4.130 -8.328
143 H THR 21 H THR 21 1.904 -3.584 -8.565
144 HA THR 21 HA THR 21 -0.572 -3.020 -7.169
145 HB THR 21 HB THR 21 -1.165 -5.375 -7.835
146 HG1 THR 21 HG1 THR 21 0.334 -6.600 -8.690
147 HG21 THR 21 3HG2 THR 21 -0.299 -3.456 -9.999
148 HG22 THR 21 1HG2 THR 21 -1.877 -3.526 -9.215
149 HG23 THR 21 2HG2 THR 21 -1.350 -4.848 -10.257
150 H PHE 22 H PHE 22 -1.267 -3.947 -5.280
151 HA PHE 22 HA PHE 22 0.706 -5.571 -3.813
152 HB2 PHE 22 1HB PHE 22 -1.131 -3.430 -2.719
153 HB3 PHE 22 2HB PHE 22 -0.125 -4.487 -1.734
154 HD1 PHE 22 HD2 PHE 22 0.055 -1.957 -4.447
155 HD2 PHE 22 HD1 PHE 22 2.054 -3.883 -1.220
156 HE1 PHE 22 HE2 PHE 22 1.922 -0.369 -4.660
157 HE2 PHE 22 HE1 PHE 22 3.924 -2.297 -1.427
158 HZ PHE 22 HZ PHE 22 3.860 -0.538 -3.150
159 H SER 23 H SER 23 -0.538 -6.507 -1.743
160 HA SER 23 HA SER 23 -2.773 -8.034 -2.863
161 HB2 SER 23 1HB SER 23 -1.070 -8.570 -0.417
162 HB3 SER 23 2HB SER 23 -2.340 -9.630 -1.030
163 HG SER 23 HG SER 23 -1.056 -10.287 -2.579
164 H CYS 24 H CYS 24 -1.856 -6.505 0.225
165 HA CYS 24 HA CYS 24 -4.712 -6.242 0.864
166 HB2 CYS 24 1HB CYS 24 -3.224 -7.419 2.501
167 HB3 CYS 24 2HB CYS 24 -2.348 -5.909 2.719
168 HG CYS 24 HG CYS 24 -3.791 -5.334 4.765
169 H SER 25 H SER 25 -5.472 -4.249 1.804
170 HA SER 25 HA SER 25 -4.618 -1.971 0.360
171 HB2 SER 25 1HB SER 25 -6.325 -0.768 1.563
172 HB3 SER 25 2HB SER 25 -6.953 -2.375 1.197
173 HG SER 25 HG SER 25 -6.922 -2.877 3.265
174 H LYS 26 H LYS 26 -4.327 -2.856 3.791
175 HA LYS 26 HA LYS 26 -3.074 -0.602 4.759
176 HB2 LYS 26 1HB LYS 26 -3.807 -2.437 6.195
177 HB3 LYS 26 2HB LYS 26 -2.560 -3.481 5.525
178 HG2 LYS 26 1HG LYS 26 -1.711 -0.924 6.769
179 HG3 LYS 26 2HG LYS 26 -2.248 -2.231 7.827
180 HD2 LYS 26 1HD LYS 26 -0.201 -2.668 5.671
181 HD3 LYS 26 2HD LYS 26 0.246 -2.105 7.283
182 HE2 LYS 26 1HE LYS 26 -1.440 -4.555 6.907
183 HE3 LYS 26 2HE LYS 26 0.317 -4.635 6.789
184 HZ1 LYS 26 3HZ LYS 26 -0.020 -3.277 9.076
185 HZ2 LYS 26 1HZ LYS 26 0.199 -4.952 8.987
186 HZ3 LYS 26 2HZ LYS 26 -1.360 -4.309 9.118
187 H TYR 27 H TYR 27 -1.481 -3.518 3.465
188 HA TYR 27 HA TYR 27 1.142 -2.819 3.684
189 HB2 TYR 27 1HB TYR 27 -0.359 -4.372 1.614
190 HB3 TYR 27 2HB TYR 27 1.349 -4.032 1.356
191 HD1 TYR 27 HD2 TYR 27 -0.570 -4.931 4.433
192 HD2 TYR 27 HD1 TYR 27 2.537 -5.982 1.722
193 HE1 TYR 27 HE2 TYR 27 0.022 -6.844 5.862
194 HE2 TYR 27 HE1 TYR 27 3.137 -7.898 3.143
195 HH TYR 27 HH TYR 27 1.147 -9.002 5.674
196 H LEU 28 H LEU 28 -1.087 -1.825 1.111
197 HA LEU 28 HA LEU 28 0.855 -0.314 -0.323
198 HB2 LEU 28 1HB LEU 28 -1.100 -1.169 -1.442
199 HB3 LEU 28 2HB LEU 28 -2.157 -0.257 -0.366
200 HG LEU 28 HG LEU 28 -1.287 1.839 -1.347
201 HD11 LEU 28 1HD1 LEU 28 -0.165 0.565 -3.711
202 HD12 LEU 28 2HD1 LEU 28 0.781 0.271 -2.252
203 HD13 LEU 28 3HD1 LEU 28 0.435 1.924 -2.761
204 HD21 LEU 28 3HD2 LEU 28 -3.346 0.815 -2.188
205 HD22 LEU 28 1HD2 LEU 28 -2.405 -0.114 -3.356
206 HD23 LEU 28 2HD2 LEU 28 -2.463 1.645 -3.471
207 H THR 29 H THR 29 -1.984 0.765 1.553
208 HA THR 29 HA THR 29 -1.748 3.415 1.614
209 HB THR 29 HB THR 29 -2.062 1.836 4.173
210 HG1 THR 29 HG1 THR 29 -3.739 2.211 1.967
211 HG21 THR 29 3HG2 THR 29 -2.671 4.641 3.345
212 HG22 THR 29 1HG2 THR 29 -1.975 4.042 4.849
213 HG23 THR 29 2HG2 THR 29 -3.700 3.848 4.537
214 H GLN 30 H GLN 30 0.070 1.393 3.929
215 HA GLN 30 HA GLN 30 1.652 3.486 4.934
216 HB2 GLN 30 1HB GLN 30 1.872 0.501 4.951
217 HB3 GLN 30 2HB GLN 30 3.223 1.471 5.521
218 HG2 GLN 30 1HG GLN 30 1.484 2.632 7.016
219 HG3 GLN 30 2HG GLN 30 0.465 1.239 6.653
220 HE21 GLN 30 1HE2 GLN 30 1.282 1.861 9.224
221 HE22 GLN 30 2HE2 GLN 30 2.356 0.631 9.787
222 H HIS 31 H HIS 31 2.185 1.196 2.297
223 HA HIS 31 HA HIS 31 4.849 1.778 1.734
224 HB2 HIS 31 1HB HIS 31 4.103 -0.046 0.545
225 HB3 HIS 31 2HB HIS 31 2.558 0.703 0.156
226 HD1 HIS 31 HD1 HIS 31 5.835 -0.020 -1.245
227 HD2 HIS 31 HD2 HIS 31 2.788 2.712 -1.963
228 HE1 HIS 31 HE1 HIS 31 6.280 0.895 -3.544
229 H GLU 32 H GLU 32 1.923 3.204 0.278
230 HA GLU 32 HA GLU 32 2.909 4.952 -1.507
231 HB2 GLU 32 1HB GLU 32 0.679 5.211 0.466
232 HB3 GLU 32 2HB GLU 32 1.110 6.606 -0.512
233 HG2 GLU 32 1HG GLU 32 0.633 3.974 -1.829
234 HG3 GLU 32 2HG GLU 32 -0.734 4.959 -1.312
235 H ARG 33 H ARG 33 3.361 5.113 1.931
236 HA ARG 33 HA ARG 33 4.086 7.787 2.246
237 HB2 ARG 33 1HB ARG 33 5.156 5.359 3.697
238 HB3 ARG 33 2HB ARG 33 5.341 7.023 4.234
239 HG2 ARG 33 1HG ARG 33 2.673 5.699 3.825
240 HG3 ARG 33 2HG ARG 33 3.528 5.731 5.368
241 HD2 ARG 33 1HD ARG 33 2.948 8.252 3.850
242 HD3 ARG 33 2HD ARG 33 1.746 7.530 4.919
243 HE ARG 33 HE ARG 33 3.893 7.677 6.516
244 HH11 ARG 33 1HH1 ARG 33 2.398 10.013 4.411
245 HH12 ARG 33 2HH1 ARG 33 2.864 11.374 5.377
246 HH21 ARG 33 1HH2 ARG 33 4.512 9.461 7.796
247 HH22 ARG 33 2HH2 ARG 33 4.066 11.059 7.301
248 H ILE 34 H ILE 34 6.111 4.971 1.465
249 HA ILE 34 HA ILE 34 8.615 5.937 1.470
250 HB ILE 34 HB ILE 34 9.221 4.438 -0.260
251 HG12 ILE 34 1HG1 ILE 34 6.327 4.349 -1.133
252 HG13 ILE 34 2HG1 ILE 34 7.563 5.323 -1.920
253 HG21 ILE 34 1HG2 ILE 34 8.649 2.635 0.910
254 HG22 ILE 34 2HG2 ILE 34 7.573 3.672 1.844
255 HG23 ILE 34 3HG2 ILE 34 6.955 2.793 0.446
256 HD11 ILE 34 3HD1 ILE 34 8.659 3.470 -2.770
257 HD12 ILE 34 1HD1 ILE 34 7.921 2.375 -1.601
258 HD13 ILE 34 2HD1 ILE 34 6.955 3.039 -2.920
259 H HIS 35 H HIS 35 6.087 6.897 -0.737
260 HA HIS 35 HA HIS 35 7.908 8.450 -2.384
261 HB2 HIS 35 1HB HIS 35 4.890 8.369 -2.516
262 HB3 HIS 35 2HB HIS 35 5.998 8.933 -3.764
263 HD1 HIS 35 HD1 HIS 35 7.837 6.787 -4.351
264 HD2 HIS 35 HD2 HIS 35 3.938 5.945 -3.187
265 HE1 HIS 35 HE1 HIS 35 7.379 4.455 -5.172
266 H THR 36 H THR 36 7.713 9.151 0.401
267 HA THR 36 HA THR 36 7.491 11.950 0.178
268 HB THR 36 HB THR 36 5.052 11.384 0.160
269 HG1 THR 36 HG1 THR 36 5.838 13.404 0.984
270 HG21 THR 36 3HG2 THR 36 5.858 9.902 2.538
271 HG22 THR 36 1HG2 THR 36 4.411 9.741 1.544
272 HG23 THR 36 2HG2 THR 36 4.474 10.957 2.821
273 H ARG 37 H ARG 37 7.794 13.052 2.280
274 HA ARG 37 HA ARG 37 9.883 12.079 3.740
275 HB2 ARG 37 1HB ARG 37 7.679 13.933 4.652
276 HB3 ARG 37 2HB ARG 37 9.168 13.664 5.548
277 HG2 ARG 37 1HG ARG 37 9.183 14.614 2.704
278 HG3 ARG 37 2HG ARG 37 9.041 15.727 4.066
279 HD2 ARG 37 1HD ARG 37 11.156 15.056 4.933
280 HD3 ARG 37 2HD ARG 37 11.261 13.712 3.797
281 HE ARG 37 HE ARG 37 11.114 15.866 2.176
282 HH11 ARG 37 1HH1 ARG 37 13.133 15.068 4.897
283 HH12 ARG 37 2HH1 ARG 37 14.490 15.979 4.324
284 HH21 ARG 37 1HH2 ARG 37 12.894 17.069 1.410
285 HH22 ARG 37 2HH2 ARG 37 14.353 17.118 2.341
286 H GLY 38 H GLY 38 9.852 10.019 4.493
287 HA2 GLY 38 1HA GLY 38 8.080 9.494 6.758
288 HA3 GLY 38 2HA GLY 38 8.001 8.372 5.407
289 H VAL 39 H VAL 39 9.540 6.821 5.185
290 HA VAL 39 HA VAL 39 11.925 6.942 6.872
291 HB VAL 39 HB VAL 39 10.174 5.726 8.164
292 HG11 VAL 39 1HG1 VAL 39 10.435 3.432 6.276
293 HG12 VAL 39 2HG1 VAL 39 9.154 3.799 7.434
294 HG13 VAL 39 3HG1 VAL 39 9.269 4.708 5.926
295 HG21 VAL 39 3HG2 VAL 39 12.685 4.350 7.277
296 HG22 VAL 39 1HG2 VAL 39 12.351 5.189 8.792
297 HG23 VAL 39 2HG2 VAL 39 11.620 3.616 8.475
298 H LYS 40 H LYS 40 13.648 5.667 6.153
299 HA LYS 40 HA LYS 40 15.000 4.729 4.581
300 HB2 LYS 40 1HB LYS 40 12.421 3.251 4.222
301 HB3 LYS 40 2HB LYS 40 13.744 2.961 3.100
302 HG2 LYS 40 1HG LYS 40 15.168 2.209 4.859
303 HG3 LYS 40 2HG LYS 40 14.004 2.710 6.087
304 HD2 LYS 40 1HD LYS 40 13.574 0.454 5.972
305 HD3 LYS 40 2HD LYS 40 12.408 1.075 4.802
306 HE2 LYS 40 1HE LYS 40 13.849 0.504 2.973
307 HE3 LYS 40 2HE LYS 40 15.157 0.076 4.074
308 HZ1 LYS 40 3HZ LYS 40 14.234 -1.913 4.542
309 HZ2 LYS 40 1HZ LYS 40 13.510 -1.708 3.026
310 HZ3 LYS 40 2HZ LYS 40 12.643 -1.346 4.433
311 H SER 41 H SER 41 14.180 7.224 3.888
312 HA SER 41 HA SER 41 13.099 7.249 1.216
313 HB2 SER 41 1HB SER 41 13.428 9.674 1.329
314 HB3 SER 41 2HB SER 41 12.640 9.091 2.795
315 HG SER 41 HG SER 41 14.950 8.989 3.595
316 H GLY 42 H GLY 42 14.423 6.270 -0.234
317 HA2 GLY 42 1HA GLY 42 17.276 6.869 -0.232
318 HA3 GLY 42 2HA GLY 42 16.459 5.692 -1.250
319 HA PRO 43 HA PRO 43 17.128 9.999 -3.313
320 HB2 PRO 43 1HB PRO 43 19.626 9.723 -4.341
321 HB3 PRO 43 2HB PRO 43 19.313 10.443 -2.757
322 HG2 PRO 43 1HG PRO 43 20.189 7.662 -3.433
323 HG3 PRO 43 2HG PRO 43 20.767 8.735 -2.145
324 HD2 PRO 43 1HD PRO 43 19.000 6.733 -1.690
325 HD3 PRO 43 2HD PRO 43 18.983 8.250 -0.768
326 H SER 44 H SER 44 17.211 6.718 -3.989
327 HA SER 44 HA SER 44 17.558 6.918 -6.846
328 HB2 SER 44 1HB SER 44 16.771 4.646 -5.018
329 HB3 SER 44 2HB SER 44 16.845 4.478 -6.772
330 HG SER 44 HG SER 44 18.957 4.487 -6.690
331 H SER 45 H SER 45 15.649 8.677 -6.331
332 HA SER 45 HA SER 45 13.411 7.682 -7.796
333 HB2 SER 45 1HB SER 45 12.683 6.811 -5.676
334 HB3 SER 45 2HB SER 45 13.037 8.338 -4.867
335 HG SER 45 HG SER 45 10.777 7.964 -5.418
336 H GLY 46 H GLY 46 12.222 9.319 -8.722
337 HA2 GLY 46 1HA GLY 46 13.425 11.934 -8.653
338 HA3 GLY 46 2HA GLY 46 12.069 11.433 -9.654
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -22.860 9.118 -18.375
2 HA2 GLY 1 1HA GLY 1 -22.100 6.445 -18.299
3 HA3 GLY 1 2HA GLY 1 -23.632 7.030 -18.932
4 H SER 2 H SER 2 -21.692 4.876 -19.792
5 HA SER 2 HA SER 2 -22.050 5.173 -22.579
6 HB2 SER 2 1HB SER 2 -19.800 5.489 -23.345
7 HB3 SER 2 2HB SER 2 -20.137 6.775 -22.187
8 HG SER 2 HG SER 2 -19.180 4.950 -20.697
9 H SER 3 H SER 3 -21.868 3.237 -23.598
10 HA SER 3 HA SER 3 -22.036 0.866 -22.360
11 HB2 SER 3 1HB SER 3 -20.673 1.455 -24.992
12 HB3 SER 3 2HB SER 3 -21.023 -0.181 -24.436
13 HG SER 3 HG SER 3 -22.680 0.652 -25.783
14 H GLY 4 H GLY 4 -20.810 0.292 -20.655
15 HA2 GLY 4 1HA GLY 4 -17.884 0.202 -21.068
16 HA3 GLY 4 2HA GLY 4 -18.633 0.513 -19.509
17 H SER 5 H SER 5 -16.722 -1.558 -20.214
18 HA SER 5 HA SER 5 -18.370 -3.966 -19.821
19 HB2 SER 5 1HB SER 5 -16.524 -5.258 -20.715
20 HB3 SER 5 2HB SER 5 -16.899 -3.950 -21.838
21 HG SER 5 HG SER 5 -14.577 -4.487 -20.759
22 H SER 6 H SER 6 -18.577 -4.250 -17.680
23 HA SER 6 HA SER 6 -16.666 -3.497 -15.748
24 HB2 SER 6 1HB SER 6 -18.881 -5.547 -15.498
25 HB3 SER 6 2HB SER 6 -18.039 -4.761 -14.163
26 HG SER 6 HG SER 6 -19.990 -3.705 -14.570
27 H GLY 7 H GLY 7 -15.337 -4.814 -14.408
28 HA2 GLY 7 1HA GLY 7 -14.891 -7.578 -14.993
29 HA3 GLY 7 2HA GLY 7 -13.645 -6.557 -15.697
30 H GLN 8 H GLN 8 -15.390 -6.439 -12.594
31 HA GLN 8 HA GLN 8 -12.769 -6.417 -11.251
32 HB2 GLN 8 1HB GLN 8 -15.360 -5.051 -10.552
33 HB3 GLN 8 2HB GLN 8 -14.069 -5.262 -9.376
34 HG2 GLN 8 1HG GLN 8 -12.549 -4.039 -10.908
35 HG3 GLN 8 2HG GLN 8 -13.929 -3.732 -11.962
36 HE21 GLN 8 1HE2 GLN 8 -15.694 -2.487 -11.097
37 HE22 GLN 8 2HE2 GLN 8 -15.390 -1.303 -9.876
38 H LYS 9 H LYS 9 -12.361 -8.338 -10.385
39 HA LYS 9 HA LYS 9 -14.547 -9.723 -8.974
40 HB2 LYS 9 1HB LYS 9 -12.315 -10.893 -10.636
41 HB3 LYS 9 2HB LYS 9 -13.298 -11.852 -9.537
42 HG2 LYS 9 1HG LYS 9 -15.198 -11.633 -10.834
43 HG3 LYS 9 2HG LYS 9 -14.601 -10.183 -11.644
44 HD2 LYS 9 1HD LYS 9 -13.113 -12.741 -11.999
45 HD3 LYS 9 2HD LYS 9 -14.631 -12.514 -12.871
46 HE2 LYS 9 1HE LYS 9 -12.346 -10.550 -12.935
47 HE3 LYS 9 2HE LYS 9 -12.573 -11.828 -14.128
48 HZ1 LYS 9 3HZ LYS 9 -13.506 -9.467 -14.570
49 HZ2 LYS 9 1HZ LYS 9 -14.777 -9.963 -13.570
50 HZ3 LYS 9 2HZ LYS 9 -14.431 -10.820 -14.986
51 H GLU 10 H GLU 10 -10.991 -9.547 -9.201
52 HA GLU 10 HA GLU 10 -10.827 -10.168 -6.341
53 HB2 GLU 10 1HB GLU 10 -8.908 -10.360 -8.629
54 HB3 GLU 10 2HB GLU 10 -8.282 -10.219 -6.993
55 HG2 GLU 10 1HG GLU 10 -9.285 -12.245 -6.327
56 HG3 GLU 10 2HG GLU 10 -10.280 -12.315 -7.780
57 H LYS 11 H LYS 11 -10.715 -8.519 -4.984
58 HA LYS 11 HA LYS 11 -10.244 -5.849 -5.776
59 HB2 LYS 11 1HB LYS 11 -11.551 -6.645 -3.752
60 HB3 LYS 11 2HB LYS 11 -10.002 -6.928 -2.968
61 HG2 LYS 11 1HG LYS 11 -10.619 -4.834 -2.199
62 HG3 LYS 11 2HG LYS 11 -9.508 -4.467 -3.521
63 HD2 LYS 11 1HD LYS 11 -11.638 -4.370 -4.979
64 HD3 LYS 11 2HD LYS 11 -12.496 -4.230 -3.443
65 HE2 LYS 11 1HE LYS 11 -12.104 -2.022 -4.234
66 HE3 LYS 11 2HE LYS 11 -10.995 -2.298 -2.891
67 HZ1 LYS 11 3HZ LYS 11 -9.766 -3.073 -5.306
68 HZ2 LYS 11 1HZ LYS 11 -9.293 -1.868 -4.216
69 HZ3 LYS 11 2HZ LYS 11 -10.363 -1.499 -5.473
70 H CYS 12 H CYS 12 -8.297 -5.459 -6.713
71 HA CYS 12 HA CYS 12 -5.889 -6.147 -5.166
72 HB2 CYS 12 1HB CYS 12 -6.361 -5.793 -8.114
73 HB3 CYS 12 2HB CYS 12 -4.743 -5.652 -7.437
74 HG CYS 12 HG CYS 12 -5.606 -8.364 -6.146
75 H PHE 13 H PHE 13 -4.673 -4.564 -4.347
76 HA PHE 13 HA PHE 13 -5.426 -1.801 -4.967
77 HB2 PHE 13 1HB PHE 13 -3.693 -2.799 -2.700
78 HB3 PHE 13 2HB PHE 13 -4.388 -1.191 -2.875
79 HD1 PHE 13 HD1 PHE 13 -7.024 -1.173 -3.108
80 HD2 PHE 13 HD2 PHE 13 -4.747 -4.292 -1.317
81 HE1 PHE 13 HE1 PHE 13 -9.010 -1.894 -1.847
82 HE2 PHE 13 HE2 PHE 13 -6.729 -5.018 -0.053
83 HZ PHE 13 HZ PHE 13 -8.865 -3.819 -0.318
84 H LYS 14 H LYS 14 -4.270 -0.937 -6.562
85 HA LYS 14 HA LYS 14 -1.374 -1.477 -6.643
86 HB2 LYS 14 1HB LYS 14 -2.807 -2.210 -8.618
87 HB3 LYS 14 2HB LYS 14 -3.048 -0.501 -8.955
88 HG2 LYS 14 1HG LYS 14 -0.659 -0.199 -9.254
89 HG3 LYS 14 2HG LYS 14 -0.380 -1.895 -8.852
90 HD2 LYS 14 1HD LYS 14 -0.350 -1.920 -11.169
91 HD3 LYS 14 2HD LYS 14 -2.019 -2.366 -10.808
92 HE2 LYS 14 1HE LYS 14 -2.398 -0.756 -12.375
93 HE3 LYS 14 2HE LYS 14 -2.357 0.257 -10.932
94 HZ1 LYS 14 3HZ LYS 14 -0.916 0.772 -13.082
95 HZ2 LYS 14 1HZ LYS 14 0.186 -0.223 -12.270
96 HZ3 LYS 14 2HZ LYS 14 -0.397 1.178 -11.524
97 H CYS 15 H CYS 15 0.044 0.206 -6.692
98 HA CYS 15 HA CYS 15 -0.867 2.736 -5.752
99 HB2 CYS 15 1HB CYS 15 1.432 1.488 -5.417
100 HB3 CYS 15 2HB CYS 15 1.880 2.366 -6.876
101 H ASN 16 H ASN 16 0.182 4.769 -6.875
102 HA ASN 16 HA ASN 16 -0.703 4.696 -9.680
103 HB2 ASN 16 1HB ASN 16 -0.656 6.936 -7.656
104 HB3 ASN 16 2HB ASN 16 -0.943 7.206 -9.373
105 HD21 ASN 16 1HD2 ASN 16 -2.791 6.175 -10.338
106 HD22 ASN 16 2HD2 ASN 16 -4.187 5.847 -9.374
107 H LYS 17 H LYS 17 1.582 6.525 -7.637
108 HA LYS 17 HA LYS 17 3.187 7.505 -9.677
109 HB2 LYS 17 1HB LYS 17 3.559 7.001 -6.770
110 HB3 LYS 17 2HB LYS 17 5.006 7.291 -7.726
111 HG2 LYS 17 1HG LYS 17 3.555 9.336 -8.597
112 HG3 LYS 17 2HG LYS 17 2.796 9.129 -7.016
113 HD2 LYS 17 1HD LYS 17 4.551 10.686 -6.705
114 HD3 LYS 17 2HD LYS 17 5.129 9.157 -6.037
115 HE2 LYS 17 1HE LYS 17 6.321 8.730 -8.164
116 HE3 LYS 17 2HE LYS 17 5.805 10.314 -8.741
117 HZ1 LYS 17 3HZ LYS 17 7.798 10.898 -7.894
118 HZ2 LYS 17 1HZ LYS 17 7.843 9.626 -6.779
119 HZ3 LYS 17 2HZ LYS 17 6.923 11.006 -6.450
120 H CYS 18 H CYS 18 4.077 4.785 -7.545
121 HA CYS 18 HA CYS 18 6.057 3.856 -9.401
122 HB2 CYS 18 1HB CYS 18 6.421 2.050 -7.791
123 HB3 CYS 18 2HB CYS 18 6.357 3.607 -6.973
124 H GLU 19 H GLU 19 2.783 2.930 -8.514
125 HA GLU 19 HA GLU 19 1.244 1.647 -9.603
126 HB2 GLU 19 1HB GLU 19 3.281 1.191 -11.778
127 HB3 GLU 19 2HB GLU 19 1.531 1.087 -11.899
128 HG2 GLU 19 1HG GLU 19 1.330 3.476 -11.614
129 HG3 GLU 19 2HG GLU 19 3.070 3.618 -11.370
130 H LYS 20 H LYS 20 2.776 0.514 -7.619
131 HA LYS 20 HA LYS 20 3.482 -2.158 -8.608
132 HB2 LYS 20 1HB LYS 20 4.222 -0.570 -6.186
133 HB3 LYS 20 2HB LYS 20 4.268 -2.326 -6.093
134 HG2 LYS 20 1HG LYS 20 5.680 -2.131 -8.271
135 HG3 LYS 20 2HG LYS 20 5.935 -0.471 -7.729
136 HD2 LYS 20 1HD LYS 20 6.621 -1.486 -5.491
137 HD3 LYS 20 2HD LYS 20 6.692 -3.030 -6.343
138 HE2 LYS 20 1HE LYS 20 8.892 -2.097 -6.320
139 HE3 LYS 20 2HE LYS 20 8.269 -1.978 -7.965
140 HZ1 LYS 20 3HZ LYS 20 8.928 0.123 -6.078
141 HZ2 LYS 20 1HZ LYS 20 7.508 0.370 -6.964
142 HZ3 LYS 20 2HZ LYS 20 8.976 0.130 -7.769
143 H THR 21 H THR 21 2.403 -3.963 -7.989
144 HA THR 21 HA THR 21 -0.188 -3.590 -6.757
145 HB THR 21 HB THR 21 -0.451 -6.055 -7.206
146 HG1 THR 21 HG1 THR 21 2.090 -6.090 -7.368
147 HG21 THR 21 3HG2 THR 21 -1.264 -5.526 -9.228
148 HG22 THR 21 1HG2 THR 21 0.322 -5.058 -9.838
149 HG23 THR 21 2HG2 THR 21 -0.644 -3.906 -8.915
150 H PHE 22 H PHE 22 -0.880 -4.444 -4.826
151 HA PHE 22 HA PHE 22 1.174 -5.695 -3.127
152 HB2 PHE 22 1HB PHE 22 -0.842 -3.581 -2.346
153 HB3 PHE 22 2HB PHE 22 0.140 -4.481 -1.195
154 HD1 PHE 22 HD2 PHE 22 0.331 -2.149 -4.066
155 HD2 PHE 22 HD1 PHE 22 2.314 -3.800 -0.681
156 HE1 PHE 22 HE2 PHE 22 2.136 -0.498 -4.323
157 HE2 PHE 22 HE1 PHE 22 4.123 -2.151 -0.932
158 HZ PHE 22 HZ PHE 22 4.036 -0.498 -2.755
159 H SER 23 H SER 23 0.154 -6.781 -1.168
160 HA SER 23 HA SER 23 -2.062 -8.424 -2.130
161 HB2 SER 23 1HB SER 23 -0.335 -8.825 0.323
162 HB3 SER 23 2HB SER 23 -1.437 -9.999 -0.397
163 HG SER 23 HG SER 23 0.667 -8.892 -1.906
164 H CYS 24 H CYS 24 -1.135 -6.575 0.762
165 HA CYS 24 HA CYS 24 -3.980 -6.500 1.522
166 HB2 CYS 24 1HB CYS 24 -1.472 -6.678 3.126
167 HB3 CYS 24 2HB CYS 24 -2.829 -5.792 3.812
168 HG CYS 24 HG CYS 24 -4.466 -8.238 3.104
169 H SER 25 H SER 25 -4.589 -4.502 2.775
170 HA SER 25 HA SER 25 -3.831 -2.196 1.228
171 HB2 SER 25 1HB SER 25 -5.569 -1.031 2.476
172 HB3 SER 25 2HB SER 25 -6.177 -2.596 1.937
173 HG SER 25 HG SER 25 -5.943 -1.639 4.439
174 H LYS 26 H LYS 26 -3.637 -3.119 4.657
175 HA LYS 26 HA LYS 26 -2.456 -0.868 5.703
176 HB2 LYS 26 1HB LYS 26 -1.472 -2.348 7.418
177 HB3 LYS 26 2HB LYS 26 -3.161 -2.723 7.102
178 HG2 LYS 26 1HG LYS 26 -2.656 -4.711 6.031
179 HG3 LYS 26 2HG LYS 26 -0.994 -4.222 5.692
180 HD2 LYS 26 1HD LYS 26 -0.466 -4.378 8.080
181 HD3 LYS 26 2HD LYS 26 -2.128 -4.871 8.414
182 HE2 LYS 26 1HE LYS 26 -0.566 -6.419 6.410
183 HE3 LYS 26 2HE LYS 26 -0.185 -6.640 8.117
184 HZ1 LYS 26 3HZ LYS 26 -2.758 -7.149 6.744
185 HZ2 LYS 26 1HZ LYS 26 -2.642 -7.034 8.428
186 HZ3 LYS 26 2HZ LYS 26 -1.796 -8.245 7.603
187 H TYR 27 H TYR 27 -1.046 -3.297 3.654
188 HA TYR 27 HA TYR 27 1.677 -2.535 4.160
189 HB2 TYR 27 1HB TYR 27 0.281 -4.435 2.347
190 HB3 TYR 27 2HB TYR 27 1.885 -3.892 1.866
191 HD1 TYR 27 HD1 TYR 27 3.848 -4.476 3.196
192 HD2 TYR 27 HD2 TYR 27 -0.027 -5.863 4.274
193 HE1 TYR 27 HE1 TYR 27 4.867 -6.134 4.701
194 HE2 TYR 27 HE2 TYR 27 0.981 -7.523 5.783
195 HH TYR 27 HH TYR 27 3.064 -8.683 6.115
196 H LEU 28 H LEU 28 -0.763 -1.810 1.726
197 HA LEU 28 HA LEU 28 1.004 -0.334 0.031
198 HB2 LEU 28 1HB LEU 28 -0.922 -1.312 -0.958
199 HB3 LEU 28 2HB LEU 28 -1.992 -0.532 0.206
200 HG LEU 28 HG LEU 28 -1.364 1.666 -0.823
201 HD11 LEU 28 1HD1 LEU 28 -0.369 1.630 -3.056
202 HD12 LEU 28 2HD1 LEU 28 -0.114 -0.109 -2.916
203 HD13 LEU 28 3HD1 LEU 28 0.742 0.996 -1.841
204 HD21 LEU 28 3HD2 LEU 28 -3.166 1.506 -2.143
205 HD22 LEU 28 1HD2 LEU 28 -3.267 -0.151 -1.547
206 HD23 LEU 28 2HD2 LEU 28 -2.477 0.185 -3.088
207 H THR 29 H THR 29 -1.262 0.479 2.603
208 HA THR 29 HA THR 29 -1.372 3.234 2.326
209 HB THR 29 HB THR 29 -1.342 1.649 4.902
210 HG1 THR 29 HG1 THR 29 -3.015 1.171 3.279
211 HG21 THR 29 3HG2 THR 29 -2.240 3.517 5.998
212 HG22 THR 29 1HG2 THR 29 -2.612 4.340 4.484
213 HG23 THR 29 2HG2 THR 29 -0.937 4.183 5.014
214 H GLN 30 H GLN 30 0.786 1.470 4.560
215 HA GLN 30 HA GLN 30 2.354 3.650 5.289
216 HB2 GLN 30 1HB GLN 30 2.309 1.368 6.369
217 HB3 GLN 30 2HB GLN 30 3.343 0.807 5.061
218 HG2 GLN 30 1HG GLN 30 4.738 1.281 6.913
219 HG3 GLN 30 2HG GLN 30 4.994 2.558 5.725
220 HE21 GLN 30 1HE2 GLN 30 5.832 3.139 8.135
221 HE22 GLN 30 2HE2 GLN 30 4.766 4.221 8.957
222 H HIS 31 H HIS 31 2.746 1.364 2.618
223 HA HIS 31 HA HIS 31 5.253 2.190 1.717
224 HB2 HIS 31 1HB HIS 31 4.563 0.260 0.669
225 HB3 HIS 31 2HB HIS 31 2.910 0.834 0.463
226 HD1 HIS 31 HD1 HIS 31 6.131 0.542 -1.272
227 HD2 HIS 31 HD2 HIS 31 2.581 2.644 -1.761
228 HE1 HIS 31 HE1 HIS 31 6.170 1.385 -3.641
229 H GLU 32 H GLU 32 2.035 3.256 0.611
230 HA GLU 32 HA GLU 32 2.606 5.038 -1.318
231 HB2 GLU 32 1HB GLU 32 0.650 5.273 0.956
232 HB3 GLU 32 2HB GLU 32 0.746 6.501 -0.299
233 HG2 GLU 32 1HG GLU 32 0.515 4.420 -1.889
234 HG3 GLU 32 2HG GLU 32 -0.215 3.696 -0.457
235 H ARG 33 H ARG 33 3.388 5.390 2.057
236 HA ARG 33 HA ARG 33 3.871 8.123 2.215
237 HB2 ARG 33 1HB ARG 33 5.309 5.846 3.589
238 HB3 ARG 33 2HB ARG 33 5.468 7.538 4.039
239 HG2 ARG 33 1HG ARG 33 3.113 7.635 4.610
240 HG3 ARG 33 2HG ARG 33 2.905 5.960 4.095
241 HD2 ARG 33 1HD ARG 33 3.108 5.835 6.423
242 HD3 ARG 33 2HD ARG 33 4.703 5.393 5.817
243 HE ARG 33 HE ARG 33 3.996 7.777 7.303
244 HH11 ARG 33 1HH1 ARG 33 6.350 6.167 5.305
245 HH12 ARG 33 2HH1 ARG 33 7.671 7.151 5.843
246 HH21 ARG 33 1HH2 ARG 33 5.728 9.078 8.019
247 HH22 ARG 33 2HH2 ARG 33 7.316 8.805 7.387
248 H ILE 34 H ILE 34 6.079 5.511 1.252
249 HA ILE 34 HA ILE 34 8.461 6.666 0.949
250 HB ILE 34 HB ILE 34 8.956 5.271 -0.905
251 HG12 ILE 34 1HG1 ILE 34 5.992 4.937 -1.393
252 HG13 ILE 34 2HG1 ILE 34 7.009 6.058 -2.290
253 HG21 ILE 34 1HG2 ILE 34 6.982 3.395 0.001
254 HG22 ILE 34 2HG2 ILE 34 8.717 3.431 0.313
255 HG23 ILE 34 3HG2 ILE 34 7.614 4.321 1.362
256 HD11 ILE 34 3HD1 ILE 34 8.028 4.405 -3.466
257 HD12 ILE 34 1HD1 ILE 34 7.848 3.218 -2.174
258 HD13 ILE 34 2HD1 ILE 34 6.464 3.640 -3.184
259 H HIS 35 H HIS 35 5.629 7.448 -0.953
260 HA HIS 35 HA HIS 35 7.125 9.208 -2.714
261 HB2 HIS 35 1HB HIS 35 4.133 8.811 -2.547
262 HB3 HIS 35 2HB HIS 35 5.029 9.562 -3.864
263 HD1 HIS 35 HD1 HIS 35 6.985 7.712 -4.829
264 HD2 HIS 35 HD2 HIS 35 3.435 6.296 -3.201
265 HE1 HIS 35 HE1 HIS 35 6.719 5.378 -5.725
266 H THR 36 H THR 36 7.867 10.515 -0.848
267 HA THR 36 HA THR 36 6.024 12.740 -0.425
268 HB THR 36 HB THR 36 6.713 12.851 2.004
269 HG1 THR 36 HG1 THR 36 7.671 10.259 1.341
270 HG21 THR 36 3HG2 THR 36 5.151 10.932 2.665
271 HG22 THR 36 1HG2 THR 36 4.997 10.625 0.936
272 HG23 THR 36 2HG2 THR 36 4.497 12.179 1.604
273 H ARG 37 H ARG 37 7.026 14.722 -0.080
274 HA ARG 37 HA ARG 37 9.933 14.814 0.093
275 HB2 ARG 37 1HB ARG 37 10.241 16.139 -1.867
276 HB3 ARG 37 2HB ARG 37 9.316 14.722 -2.344
277 HG2 ARG 37 1HG ARG 37 7.247 16.133 -2.133
278 HG3 ARG 37 2HG ARG 37 8.314 17.526 -1.944
279 HD2 ARG 37 1HD ARG 37 8.496 15.646 -4.284
280 HD3 ARG 37 2HD ARG 37 7.445 17.062 -4.284
281 HE ARG 37 HE ARG 37 10.273 17.027 -4.645
282 HH11 ARG 37 1HH1 ARG 37 7.633 18.913 -3.381
283 HH12 ARG 37 2HH1 ARG 37 8.447 20.429 -3.585
284 HH21 ARG 37 1HH2 ARG 37 11.355 19.017 -4.918
285 HH22 ARG 37 2HH2 ARG 37 10.563 20.487 -4.460
286 H GLY 38 H GLY 38 10.756 16.930 0.625
287 HA2 GLY 38 1HA GLY 38 9.793 19.328 0.949
288 HA3 GLY 38 2HA GLY 38 8.766 18.498 2.109
289 H VAL 39 H VAL 39 12.225 18.756 1.281
290 HA VAL 39 HA VAL 39 12.803 18.797 4.171
291 HB VAL 39 HB VAL 39 14.605 17.923 1.908
292 HG11 VAL 39 1HG1 VAL 39 16.077 18.788 3.472
293 HG12 VAL 39 2HG1 VAL 39 15.064 18.315 4.838
294 HG13 VAL 39 3HG1 VAL 39 15.974 17.093 3.949
295 HG21 VAL 39 3HG2 VAL 39 13.163 16.144 2.166
296 HG22 VAL 39 1HG2 VAL 39 14.428 15.734 3.325
297 HG23 VAL 39 2HG2 VAL 39 12.918 16.453 3.885
298 H LYS 40 H LYS 40 13.338 20.731 4.915
299 HA LYS 40 HA LYS 40 15.334 22.339 3.652
300 HB2 LYS 40 1HB LYS 40 12.987 22.797 2.509
301 HB3 LYS 40 2HB LYS 40 12.744 23.796 3.936
302 HG2 LYS 40 1HG LYS 40 15.239 24.108 2.333
303 HG3 LYS 40 2HG LYS 40 13.731 24.827 1.761
304 HD2 LYS 40 1HD LYS 40 13.522 25.897 4.040
305 HD3 LYS 40 2HD LYS 40 15.176 25.364 4.350
306 HE2 LYS 40 1HE LYS 40 15.746 26.564 2.145
307 HE3 LYS 40 2HE LYS 40 14.180 27.351 2.335
308 HZ1 LYS 40 3HZ LYS 40 14.976 28.680 3.914
309 HZ2 LYS 40 1HZ LYS 40 16.521 28.188 3.429
310 HZ3 LYS 40 2HZ LYS 40 15.757 27.418 4.727
311 H SER 41 H SER 41 16.289 23.712 5.083
312 HA SER 41 HA SER 41 16.151 23.324 7.772
313 HB2 SER 41 1HB SER 41 17.984 24.574 6.935
314 HB3 SER 41 2HB SER 41 16.929 25.792 6.220
315 HG SER 41 HG SER 41 17.939 25.650 8.730
316 H GLY 42 H GLY 42 14.944 26.396 6.443
317 HA2 GLY 42 1HA GLY 42 13.421 27.181 8.583
318 HA3 GLY 42 2HA GLY 42 13.044 27.605 6.920
319 HA PRO 43 HA PRO 43 9.784 24.762 8.900
320 HB2 PRO 43 1HB PRO 43 7.837 26.615 9.282
321 HB3 PRO 43 2HB PRO 43 9.044 26.223 10.512
322 HG2 PRO 43 1HG PRO 43 8.975 28.516 8.589
323 HG3 PRO 43 2HG PRO 43 9.400 28.512 10.311
324 HD2 PRO 43 1HD PRO 43 11.267 28.543 8.350
325 HD3 PRO 43 2HD PRO 43 11.536 27.742 9.911
326 H SER 44 H SER 44 9.259 27.598 6.806
327 HA SER 44 HA SER 44 7.959 27.887 4.945
328 HB2 SER 44 1HB SER 44 9.433 25.316 4.519
329 HB3 SER 44 2HB SER 44 8.250 25.833 3.319
330 HG SER 44 HG SER 44 10.529 27.269 4.211
331 H SER 45 H SER 45 6.437 27.039 7.105
332 HA SER 45 HA SER 45 4.240 25.748 5.711
333 HB2 SER 45 1HB SER 45 5.715 24.508 7.993
334 HB3 SER 45 2HB SER 45 3.964 24.308 7.922
335 HG SER 45 HG SER 45 4.573 22.680 6.691
336 H GLY 46 H GLY 46 2.205 26.160 6.635
337 HA2 GLY 46 1HA GLY 46 2.154 28.545 8.289
338 HA3 GLY 46 2HA GLY 46 0.778 27.793 7.496
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -31.970 -1.174 -16.156
2 HA2 GLY 1 1HA GLY 1 -33.216 -3.713 -15.363
3 HA3 GLY 1 2HA GLY 1 -31.636 -3.534 -16.111
4 H SER 2 H SER 2 -33.439 -3.415 -13.137
5 HA SER 2 HA SER 2 -31.156 -2.678 -11.533
6 HB2 SER 2 1HB SER 2 -33.911 -3.658 -10.747
7 HB3 SER 2 2HB SER 2 -32.688 -3.081 -9.616
8 HG SER 2 HG SER 2 -33.723 -1.543 -11.764
9 H SER 3 H SER 3 -30.472 -4.854 -13.032
10 HA SER 3 HA SER 3 -30.389 -7.020 -11.034
11 HB2 SER 3 1HB SER 3 -30.237 -8.622 -12.909
12 HB3 SER 3 2HB SER 3 -31.737 -7.695 -12.964
13 HG SER 3 HG SER 3 -29.659 -7.771 -14.742
14 H GLY 4 H GLY 4 -28.447 -6.297 -10.135
15 HA2 GLY 4 1HA GLY 4 -26.091 -7.275 -11.357
16 HA3 GLY 4 2HA GLY 4 -26.155 -5.526 -11.524
17 H SER 5 H SER 5 -27.253 -7.551 -8.830
18 HA SER 5 HA SER 5 -26.336 -5.903 -6.812
19 HB2 SER 5 1HB SER 5 -26.694 -7.723 -5.308
20 HB3 SER 5 2HB SER 5 -27.886 -7.902 -6.596
21 HG SER 5 HG SER 5 -26.925 -9.675 -7.254
22 H SER 6 H SER 6 -24.358 -5.261 -6.316
23 HA SER 6 HA SER 6 -22.098 -7.054 -6.905
24 HB2 SER 6 1HB SER 6 -22.331 -4.053 -6.841
25 HB3 SER 6 2HB SER 6 -20.762 -4.848 -6.709
26 HG SER 6 HG SER 6 -21.479 -4.260 -8.891
27 H GLY 7 H GLY 7 -20.168 -6.670 -5.419
28 HA2 GLY 7 1HA GLY 7 -20.827 -5.849 -2.716
29 HA3 GLY 7 2HA GLY 7 -20.556 -7.573 -2.918
30 H GLN 8 H GLN 8 -18.462 -8.224 -3.857
31 HA GLN 8 HA GLN 8 -16.340 -6.504 -2.802
32 HB2 GLN 8 1HB GLN 8 -16.255 -9.411 -3.626
33 HB3 GLN 8 2HB GLN 8 -14.931 -8.516 -2.892
34 HG2 GLN 8 1HG GLN 8 -17.591 -8.880 -1.549
35 HG3 GLN 8 2HG GLN 8 -16.258 -10.018 -1.365
36 HE21 GLN 8 1HE2 GLN 8 -16.295 -9.534 0.882
37 HE22 GLN 8 2HE2 GLN 8 -15.551 -8.096 1.484
38 H LYS 9 H LYS 9 -14.261 -6.478 -4.016
39 HA LYS 9 HA LYS 9 -14.527 -6.802 -6.904
40 HB2 LYS 9 1HB LYS 9 -13.809 -4.181 -5.578
41 HB3 LYS 9 2HB LYS 9 -13.628 -4.511 -7.296
42 HG2 LYS 9 1HG LYS 9 -16.277 -4.788 -5.923
43 HG3 LYS 9 2HG LYS 9 -15.701 -3.232 -6.525
44 HD2 LYS 9 1HD LYS 9 -15.817 -5.687 -8.259
45 HD3 LYS 9 2HD LYS 9 -17.189 -4.591 -8.081
46 HE2 LYS 9 1HE LYS 9 -15.426 -2.759 -8.681
47 HE3 LYS 9 2HE LYS 9 -14.528 -4.118 -9.355
48 HZ1 LYS 9 3HZ LYS 9 -16.392 -2.718 -10.682
49 HZ2 LYS 9 1HZ LYS 9 -17.312 -4.020 -10.116
50 HZ3 LYS 9 2HZ LYS 9 -15.940 -4.303 -11.063
51 H GLU 10 H GLU 10 -12.322 -6.071 -7.945
52 HA GLU 10 HA GLU 10 -10.363 -7.805 -7.424
53 HB2 GLU 10 1HB GLU 10 -8.760 -6.298 -8.431
54 HB3 GLU 10 2HB GLU 10 -10.306 -6.140 -9.254
55 HG2 GLU 10 1HG GLU 10 -10.674 -4.172 -7.587
56 HG3 GLU 10 2HG GLU 10 -8.918 -4.221 -7.446
57 H LYS 11 H LYS 11 -9.285 -8.384 -5.671
58 HA LYS 11 HA LYS 11 -9.173 -6.757 -3.331
59 HB2 LYS 11 1HB LYS 11 -9.287 -9.126 -3.040
60 HB3 LYS 11 2HB LYS 11 -7.879 -9.383 -4.062
61 HG2 LYS 11 1HG LYS 11 -7.077 -9.685 -1.902
62 HG3 LYS 11 2HG LYS 11 -6.590 -8.038 -2.310
63 HD2 LYS 11 1HD LYS 11 -7.460 -7.951 -0.108
64 HD3 LYS 11 2HD LYS 11 -8.700 -7.261 -1.158
65 HE2 LYS 11 1HE LYS 11 -10.048 -9.169 -1.007
66 HE3 LYS 11 2HE LYS 11 -8.725 -10.165 -0.405
67 HZ1 LYS 11 3HZ LYS 11 -10.518 -8.416 1.034
68 HZ2 LYS 11 1HZ LYS 11 -8.894 -8.273 1.487
69 HZ3 LYS 11 2HZ LYS 11 -9.667 -9.775 1.572
70 H CYS 12 H CYS 12 -6.788 -7.761 -5.755
71 HA CYS 12 HA CYS 12 -4.443 -6.878 -4.764
72 HB2 CYS 12 1HB CYS 12 -5.534 -6.523 -7.555
73 HB3 CYS 12 2HB CYS 12 -3.868 -6.148 -7.132
74 HG CYS 12 HG CYS 12 -5.006 -9.236 -6.352
75 H PHE 13 H PHE 13 -3.449 -5.003 -4.260
76 HA PHE 13 HA PHE 13 -5.002 -2.528 -4.640
77 HB2 PHE 13 1HB PHE 13 -2.952 -3.047 -2.481
78 HB3 PHE 13 2HB PHE 13 -4.063 -1.686 -2.594
79 HD1 PHE 13 HD1 PHE 13 -6.496 -2.055 -2.246
80 HD2 PHE 13 HD2 PHE 13 -3.606 -5.089 -1.498
81 HE1 PHE 13 HE1 PHE 13 -8.140 -3.281 -0.887
82 HE2 PHE 13 HE2 PHE 13 -5.246 -6.320 -0.138
83 HZ PHE 13 HZ PHE 13 -7.516 -5.417 0.169
84 H LYS 14 H LYS 14 -4.129 -1.777 -6.522
85 HA LYS 14 HA LYS 14 -1.267 -1.715 -6.923
86 HB2 LYS 14 1HB LYS 14 -3.097 -2.038 -8.721
87 HB3 LYS 14 2HB LYS 14 -3.289 -0.292 -8.635
88 HG2 LYS 14 1HG LYS 14 -1.200 0.116 -9.528
89 HG3 LYS 14 2HG LYS 14 -0.582 -1.473 -9.073
90 HD2 LYS 14 1HD LYS 14 -1.844 -2.539 -10.795
91 HD3 LYS 14 2HD LYS 14 -2.734 -1.055 -11.141
92 HE2 LYS 14 1HE LYS 14 -0.752 0.000 -11.992
93 HE3 LYS 14 2HE LYS 14 0.246 -1.361 -11.483
94 HZ1 LYS 14 3HZ LYS 14 -1.383 -2.667 -13.033
95 HZ2 LYS 14 1HZ LYS 14 -0.052 -1.845 -13.677
96 HZ3 LYS 14 2HZ LYS 14 -1.593 -1.152 -13.756
97 H CYS 15 H CYS 15 0.038 0.101 -6.986
98 HA CYS 15 HA CYS 15 -0.863 2.312 -5.345
99 HB2 CYS 15 1HB CYS 15 1.483 1.077 -5.386
100 HB3 CYS 15 2HB CYS 15 1.833 2.275 -6.627
101 H ASN 16 H ASN 16 0.252 4.525 -6.156
102 HA ASN 16 HA ASN 16 -0.913 5.006 -8.813
103 HB2 ASN 16 1HB ASN 16 -1.673 6.241 -6.621
104 HB3 ASN 16 2HB ASN 16 -0.233 7.215 -6.907
105 HD21 ASN 16 1HD2 ASN 16 -0.159 8.590 -8.657
106 HD22 ASN 16 2HD2 ASN 16 -1.559 8.993 -9.586
107 H LYS 17 H LYS 17 1.666 6.434 -6.800
108 HA LYS 17 HA LYS 17 3.117 7.600 -8.850
109 HB2 LYS 17 1HB LYS 17 3.386 7.624 -6.211
110 HB3 LYS 17 2HB LYS 17 4.601 6.400 -6.555
111 HG2 LYS 17 1HG LYS 17 4.668 8.947 -8.090
112 HG3 LYS 17 2HG LYS 17 5.231 8.941 -6.416
113 HD2 LYS 17 1HD LYS 17 6.876 7.277 -6.902
114 HD3 LYS 17 2HD LYS 17 6.212 7.012 -8.516
115 HE2 LYS 17 1HE LYS 17 7.960 8.379 -9.044
116 HE3 LYS 17 2HE LYS 17 6.717 9.595 -8.755
117 HZ1 LYS 17 3HZ LYS 17 8.319 10.440 -7.433
118 HZ2 LYS 17 1HZ LYS 17 9.084 8.951 -7.189
119 HZ3 LYS 17 2HZ LYS 17 7.693 9.341 -6.310
120 H CYS 18 H CYS 18 4.194 4.644 -7.174
121 HA CYS 18 HA CYS 18 5.844 3.879 -9.386
122 HB2 CYS 18 1HB CYS 18 6.370 1.901 -8.044
123 HB3 CYS 18 2HB CYS 18 6.478 3.362 -7.068
124 H GLU 19 H GLU 19 2.679 2.974 -8.175
125 HA GLU 19 HA GLU 19 0.968 1.820 -9.141
126 HB2 GLU 19 1HB GLU 19 2.660 1.608 -11.629
127 HB3 GLU 19 2HB GLU 19 0.909 1.511 -11.508
128 HG2 GLU 19 1HG GLU 19 0.767 3.845 -10.952
129 HG3 GLU 19 2HG GLU 19 2.524 3.974 -10.894
130 H LYS 20 H LYS 20 2.680 0.430 -7.533
131 HA LYS 20 HA LYS 20 3.122 -2.127 -8.915
132 HB2 LYS 20 1HB LYS 20 4.385 -0.814 -6.551
133 HB3 LYS 20 2HB LYS 20 4.338 -2.571 -6.602
134 HG2 LYS 20 1HG LYS 20 5.471 -2.502 -8.796
135 HG3 LYS 20 2HG LYS 20 5.593 -0.747 -8.643
136 HD2 LYS 20 1HD LYS 20 6.693 -1.384 -6.325
137 HD3 LYS 20 2HD LYS 20 7.037 -2.894 -7.172
138 HE2 LYS 20 1HE LYS 20 7.777 -0.139 -8.154
139 HE3 LYS 20 2HE LYS 20 8.876 -1.256 -7.345
140 HZ1 LYS 20 3HZ LYS 20 9.247 -1.507 -9.639
141 HZ2 LYS 20 1HZ LYS 20 7.594 -1.570 -9.996
142 HZ3 LYS 20 2HZ LYS 20 8.334 -2.858 -9.188
143 H THR 21 H THR 21 1.802 -3.775 -8.528
144 HA THR 21 HA THR 21 -0.438 -3.534 -6.817
145 HB THR 21 HB THR 21 -0.751 -6.001 -7.303
146 HG1 THR 21 HG1 THR 21 0.953 -6.997 -8.048
147 HG21 THR 21 3HG2 THR 21 -1.786 -5.480 -9.247
148 HG22 THR 21 1HG2 THR 21 -0.341 -4.749 -9.944
149 HG23 THR 21 2HG2 THR 21 -1.331 -3.834 -8.807
150 H PHE 22 H PHE 22 -0.975 -4.749 -4.949
151 HA PHE 22 HA PHE 22 1.291 -5.952 -3.518
152 HB2 PHE 22 1HB PHE 22 -0.577 -3.814 -2.507
153 HB3 PHE 22 2HB PHE 22 0.320 -4.861 -1.413
154 HD1 PHE 22 HD2 PHE 22 0.599 -2.217 -3.945
155 HD2 PHE 22 HD1 PHE 22 2.665 -4.584 -1.073
156 HE1 PHE 22 HE2 PHE 22 2.544 -0.721 -4.116
157 HE2 PHE 22 HE1 PHE 22 4.614 -3.090 -1.239
158 HZ PHE 22 HZ PHE 22 4.555 -1.156 -2.763
159 H SER 23 H SER 23 0.392 -7.009 -1.399
160 HA SER 23 HA SER 23 -1.785 -8.756 -2.254
161 HB2 SER 23 1HB SER 23 0.468 -8.973 -0.320
162 HB3 SER 23 2HB SER 23 -0.997 -9.887 0.040
163 HG SER 23 HG SER 23 -0.813 -10.797 -2.078
164 H CYS 24 H CYS 24 -0.880 -6.691 0.481
165 HA CYS 24 HA CYS 24 -3.694 -6.752 1.353
166 HB2 CYS 24 1HB CYS 24 -1.137 -6.619 2.920
167 HB3 CYS 24 2HB CYS 24 -2.628 -5.981 3.600
168 HG CYS 24 HG CYS 24 -1.748 -9.191 3.010
169 H SER 25 H SER 25 -4.721 -4.836 1.804
170 HA SER 25 HA SER 25 -3.881 -2.542 0.418
171 HB2 SER 25 1HB SER 25 -6.259 -3.275 1.240
172 HB3 SER 25 2HB SER 25 -5.834 -2.365 2.689
173 HG SER 25 HG SER 25 -5.532 -0.538 1.397
174 H LYS 26 H LYS 26 -4.034 -3.156 3.925
175 HA LYS 26 HA LYS 26 -3.098 -0.823 4.943
176 HB2 LYS 26 1HB LYS 26 -2.187 -2.081 6.811
177 HB3 LYS 26 2HB LYS 26 -3.713 -2.790 6.300
178 HG2 LYS 26 1HG LYS 26 -2.284 -4.411 4.928
179 HG3 LYS 26 2HG LYS 26 -0.934 -3.839 5.910
180 HD2 LYS 26 1HD LYS 26 -3.466 -4.793 7.199
181 HD3 LYS 26 2HD LYS 26 -2.237 -5.944 6.668
182 HE2 LYS 26 1HE LYS 26 -0.603 -4.978 8.108
183 HE3 LYS 26 2HE LYS 26 -1.650 -3.609 8.477
184 HZ1 LYS 26 3HZ LYS 26 -3.005 -5.976 9.127
185 HZ2 LYS 26 1HZ LYS 26 -2.489 -4.743 10.164
186 HZ3 LYS 26 2HZ LYS 26 -1.465 -6.046 9.825
187 H TYR 27 H TYR 27 -1.102 -3.432 3.598
188 HA TYR 27 HA TYR 27 1.404 -2.322 4.114
189 HB2 TYR 27 1HB TYR 27 0.356 -4.278 2.111
190 HB3 TYR 27 2HB TYR 27 1.993 -3.661 1.914
191 HD1 TYR 27 HD2 TYR 27 -0.246 -5.446 4.272
192 HD2 TYR 27 HD1 TYR 27 3.767 -4.509 3.211
193 HE1 TYR 27 HE2 TYR 27 0.566 -7.097 5.904
194 HE2 TYR 27 HE1 TYR 27 4.589 -6.158 4.839
195 HH TYR 27 HH TYR 27 2.676 -7.487 7.236
196 H LEU 28 H LEU 28 -0.741 -1.913 1.322
197 HA LEU 28 HA LEU 28 1.003 -0.308 -0.203
198 HB2 LEU 28 1HB LEU 28 -0.829 -1.325 -1.299
199 HB3 LEU 28 2HB LEU 28 -1.986 -0.618 -0.173
200 HG LEU 28 HG LEU 28 -1.418 1.625 -1.137
201 HD11 LEU 28 1HD1 LEU 28 0.086 -0.087 -3.105
202 HD12 LEU 28 2HD1 LEU 28 0.731 1.199 -2.086
203 HD13 LEU 28 3HD1 LEU 28 -0.375 1.589 -3.402
204 HD21 LEU 28 3HD2 LEU 28 -2.817 1.354 -3.071
205 HD22 LEU 28 1HD2 LEU 28 -3.411 0.297 -1.790
206 HD23 LEU 28 2HD2 LEU 28 -2.479 -0.377 -3.127
207 H THR 29 H THR 29 -1.854 0.674 1.698
208 HA THR 29 HA THR 29 -1.806 3.347 1.532
209 HB THR 29 HB THR 29 -2.055 1.892 4.172
210 HG1 THR 29 HG1 THR 29 -4.401 2.199 3.463
211 HG21 THR 29 3HG2 THR 29 -3.145 3.760 5.017
212 HG22 THR 29 1HG2 THR 29 -3.499 4.405 3.415
213 HG23 THR 29 2HG2 THR 29 -1.857 4.483 4.053
214 H GLN 30 H GLN 30 0.089 1.641 4.033
215 HA GLN 30 HA GLN 30 1.538 3.884 4.877
216 HB2 GLN 30 1HB GLN 30 1.294 1.459 5.883
217 HB3 GLN 30 2HB GLN 30 2.772 1.164 4.977
218 HG2 GLN 30 1HG GLN 30 3.636 1.781 6.991
219 HG3 GLN 30 2HG GLN 30 3.579 3.344 6.179
220 HE21 GLN 30 1HE2 GLN 30 3.239 2.165 9.055
221 HE22 GLN 30 2HE2 GLN 30 1.913 3.082 9.674
222 H HIS 31 H HIS 31 2.252 1.452 2.413
223 HA HIS 31 HA HIS 31 4.871 2.161 1.814
224 HB2 HIS 31 1HB HIS 31 4.227 0.228 0.737
225 HB3 HIS 31 2HB HIS 31 2.653 0.876 0.286
226 HD1 HIS 31 HD1 HIS 31 6.009 0.275 -1.011
227 HD2 HIS 31 HD2 HIS 31 2.790 2.721 -1.967
228 HE1 HIS 31 HE1 HIS 31 6.437 1.061 -3.361
229 H GLU 32 H GLU 32 1.895 3.299 0.207
230 HA GLU 32 HA GLU 32 2.750 4.989 -1.663
231 HB2 GLU 32 1HB GLU 32 0.633 5.523 0.418
232 HB3 GLU 32 2HB GLU 32 0.899 6.587 -0.957
233 HG2 GLU 32 1HG GLU 32 0.659 4.314 -2.291
234 HG3 GLU 32 2HG GLU 32 -0.263 3.863 -0.858
235 H ARG 33 H ARG 33 2.980 5.608 1.800
236 HA ARG 33 HA ARG 33 3.701 8.240 1.895
237 HB2 ARG 33 1HB ARG 33 4.858 5.936 3.472
238 HB3 ARG 33 2HB ARG 33 5.115 7.630 3.871
239 HG2 ARG 33 1HG ARG 33 2.531 7.763 3.905
240 HG3 ARG 33 2HG ARG 33 2.615 6.006 4.048
241 HD2 ARG 33 1HD ARG 33 3.870 8.032 5.896
242 HD3 ARG 33 2HD ARG 33 2.479 7.006 6.246
243 HE ARG 33 HE ARG 33 4.910 5.599 5.556
244 HH11 ARG 33 1HH1 ARG 33 2.921 6.907 8.096
245 HH12 ARG 33 2HH1 ARG 33 3.590 5.885 9.325
246 HH21 ARG 33 1HH2 ARG 33 5.799 4.248 7.165
247 HH22 ARG 33 2HH2 ARG 33 5.228 4.374 8.794
248 H ILE 34 H ILE 34 5.897 5.499 1.318
249 HA ILE 34 HA ILE 34 8.328 6.597 1.169
250 HB ILE 34 HB ILE 34 8.982 5.023 -0.478
251 HG12 ILE 34 1HG1 ILE 34 6.080 4.687 -1.255
252 HG13 ILE 34 2HG1 ILE 34 7.217 5.702 -2.136
253 HG21 ILE 34 1HG2 ILE 34 6.915 3.236 0.349
254 HG22 ILE 34 2HG2 ILE 34 8.582 3.342 0.913
255 HG23 ILE 34 3HG2 ILE 34 7.326 4.307 1.689
256 HD11 ILE 34 3HD1 ILE 34 8.635 3.625 -2.411
257 HD12 ILE 34 1HD1 ILE 34 7.236 2.720 -1.833
258 HD13 ILE 34 2HD1 ILE 34 7.118 3.677 -3.310
259 H HIS 35 H HIS 35 5.708 7.257 -1.044
260 HA HIS 35 HA HIS 35 7.388 8.763 -2.861
261 HB2 HIS 35 1HB HIS 35 4.370 8.614 -2.820
262 HB3 HIS 35 2HB HIS 35 5.398 9.103 -4.164
263 HD1 HIS 35 HD1 HIS 35 7.239 6.959 -4.713
264 HD2 HIS 35 HD2 HIS 35 3.445 6.124 -3.241
265 HE1 HIS 35 HE1 HIS 35 6.790 4.563 -5.331
266 H THR 36 H THR 36 7.585 9.767 -0.298
267 HA THR 36 HA THR 36 5.911 12.173 -0.259
268 HB THR 36 HB THR 36 7.122 12.502 2.012
269 HG1 THR 36 HG1 THR 36 8.699 10.938 1.878
270 HG21 THR 36 3HG2 THR 36 4.968 10.581 1.304
271 HG22 THR 36 1HG2 THR 36 4.902 12.038 2.294
272 HG23 THR 36 2HG2 THR 36 5.581 10.551 2.957
273 H ARG 37 H ARG 37 7.762 12.156 -2.292
274 HA ARG 37 HA ARG 37 10.239 13.345 -1.612
275 HB2 ARG 37 1HB ARG 37 9.470 12.193 -3.820
276 HB3 ARG 37 2HB ARG 37 8.890 13.796 -4.253
277 HG2 ARG 37 1HG ARG 37 11.025 14.691 -4.329
278 HG3 ARG 37 2HG ARG 37 11.705 13.405 -3.331
279 HD2 ARG 37 1HD ARG 37 10.696 13.108 -6.159
280 HD3 ARG 37 2HD ARG 37 12.388 13.184 -5.669
281 HE ARG 37 HE ARG 37 11.060 11.094 -4.304
282 HH11 ARG 37 1HH1 ARG 37 12.327 11.951 -7.431
283 HH12 ARG 37 2HH1 ARG 37 12.631 10.312 -7.902
284 HH21 ARG 37 1HH2 ARG 37 11.455 8.931 -4.912
285 HH22 ARG 37 2HH2 ARG 37 12.133 8.595 -6.469
286 H GLY 38 H GLY 38 10.315 15.208 -0.514
287 HA2 GLY 38 1HA GLY 38 8.326 17.260 -0.826
288 HA3 GLY 38 2HA GLY 38 9.767 17.347 0.175
289 H VAL 39 H VAL 39 8.773 19.470 -1.409
290 HA VAL 39 HA VAL 39 10.548 19.616 -3.720
291 HB VAL 39 HB VAL 39 8.483 21.580 -2.716
292 HG11 VAL 39 1HG1 VAL 39 9.457 23.069 -4.047
293 HG12 VAL 39 2HG1 VAL 39 10.616 21.869 -4.623
294 HG13 VAL 39 3HG1 VAL 39 9.050 22.038 -5.418
295 HG21 VAL 39 3HG2 VAL 39 8.076 19.160 -3.957
296 HG22 VAL 39 1HG2 VAL 39 6.947 20.515 -3.943
297 HG23 VAL 39 2HG2 VAL 39 8.052 20.302 -5.300
298 H LYS 40 H LYS 40 12.596 19.873 -2.912
299 HA LYS 40 HA LYS 40 13.297 22.501 -2.011
300 HB2 LYS 40 1HB LYS 40 12.581 21.360 0.107
301 HB3 LYS 40 2HB LYS 40 13.883 20.203 -0.138
302 HG2 LYS 40 1HG LYS 40 15.445 22.213 -0.170
303 HG3 LYS 40 2HG LYS 40 14.080 23.134 0.466
304 HD2 LYS 40 1HD LYS 40 15.169 22.494 2.401
305 HD3 LYS 40 2HD LYS 40 13.958 21.222 2.229
306 HE2 LYS 40 1HE LYS 40 16.086 20.232 2.782
307 HE3 LYS 40 2HE LYS 40 15.658 19.807 1.125
308 HZ1 LYS 40 3HZ LYS 40 17.369 22.145 1.666
309 HZ2 LYS 40 1HZ LYS 40 17.259 21.207 0.262
310 HZ3 LYS 40 2HZ LYS 40 18.037 20.591 1.632
311 H SER 41 H SER 41 15.204 23.001 -2.871
312 HA SER 41 HA SER 41 16.963 20.795 -3.714
313 HB2 SER 41 1HB SER 41 16.830 23.589 -4.869
314 HB3 SER 41 2HB SER 41 17.758 22.229 -5.499
315 HG SER 41 HG SER 41 15.476 21.224 -5.503
316 H GLY 42 H GLY 42 19.241 21.073 -3.529
317 HA2 GLY 42 1HA GLY 42 20.901 22.914 -2.748
318 HA3 GLY 42 2HA GLY 42 19.962 22.803 -1.267
319 HA PRO 43 HA PRO 43 23.289 19.335 -1.809
320 HB2 PRO 43 1HB PRO 43 25.570 20.578 -1.019
321 HB3 PRO 43 2HB PRO 43 25.067 20.477 -2.710
322 HG2 PRO 43 1HG PRO 43 24.763 22.741 -0.776
323 HG3 PRO 43 2HG PRO 43 25.253 22.783 -2.480
324 HD2 PRO 43 1HD PRO 43 22.743 23.395 -1.671
325 HD3 PRO 43 2HD PRO 43 23.082 22.634 -3.239
326 H SER 44 H SER 44 24.825 18.601 0.030
327 HA SER 44 HA SER 44 23.427 19.106 2.552
328 HB2 SER 44 1HB SER 44 24.254 17.007 3.306
329 HB3 SER 44 2HB SER 44 23.758 16.752 1.633
330 HG SER 44 HG SER 44 26.365 17.007 2.686
331 H SER 45 H SER 45 24.909 18.881 4.548
332 HA SER 45 HA SER 45 26.541 21.089 4.743
333 HB2 SER 45 1HB SER 45 25.721 20.015 6.735
334 HB3 SER 45 2HB SER 45 26.587 18.527 6.352
335 HG SER 45 HG SER 45 27.922 20.989 6.742
336 H GLY 46 H GLY 46 28.694 21.521 4.508
337 HA2 GLY 46 1HA GLY 46 30.201 19.596 2.909
338 HA3 GLY 46 2HA GLY 46 30.602 21.290 3.146
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -11.508 -9.003 -11.806
2 HA2 GLY 1 1HA GLY 1 -10.800 -10.822 -13.971
3 HA3 GLY 1 2HA GLY 1 -10.588 -11.439 -12.339
4 H SER 2 H SER 2 -12.709 -10.656 -10.962
5 HA SER 2 HA SER 2 -14.870 -11.204 -10.506
6 HB2 SER 2 1HB SER 2 -15.277 -10.513 -13.427
7 HB3 SER 2 2HB SER 2 -16.547 -10.629 -12.209
8 HG SER 2 HG SER 2 -16.066 -8.690 -11.578
9 H SER 3 H SER 3 -13.205 -13.361 -11.056
10 HA SER 3 HA SER 3 -14.338 -15.164 -12.940
11 HB2 SER 3 1HB SER 3 -12.388 -15.443 -10.671
12 HB3 SER 3 2HB SER 3 -13.009 -16.875 -11.493
13 HG SER 3 HG SER 3 -10.983 -15.764 -12.297
14 H GLY 4 H GLY 4 -14.371 -15.227 -9.367
15 HA2 GLY 4 1HA GLY 4 -17.132 -15.782 -9.174
16 HA3 GLY 4 2HA GLY 4 -16.235 -17.291 -9.101
17 H SER 5 H SER 5 -17.871 -15.945 -7.056
18 HA SER 5 HA SER 5 -16.033 -14.955 -5.074
19 HB2 SER 5 1HB SER 5 -18.955 -15.714 -4.837
20 HB3 SER 5 2HB SER 5 -18.017 -14.863 -3.609
21 HG SER 5 HG SER 5 -17.611 -13.400 -5.616
22 H SER 6 H SER 6 -16.286 -15.952 -2.777
23 HA SER 6 HA SER 6 -15.599 -17.652 -1.421
24 HB2 SER 6 1HB SER 6 -17.586 -19.163 -3.134
25 HB3 SER 6 2HB SER 6 -16.926 -19.748 -1.607
26 HG SER 6 HG SER 6 -18.727 -17.653 -2.089
27 H GLY 7 H GLY 7 -13.776 -17.179 -3.401
28 HA2 GLY 7 1HA GLY 7 -12.501 -19.767 -3.600
29 HA3 GLY 7 2HA GLY 7 -12.959 -19.073 -5.149
30 H GLN 8 H GLN 8 -11.034 -18.553 -6.023
31 HA GLN 8 HA GLN 8 -8.976 -17.281 -4.434
32 HB2 GLN 8 1HB GLN 8 -7.700 -17.294 -6.591
33 HB3 GLN 8 2HB GLN 8 -8.224 -18.882 -6.046
34 HG2 GLN 8 1HG GLN 8 -8.472 -18.348 -8.516
35 HG3 GLN 8 2HG GLN 8 -9.869 -19.037 -7.690
36 HE21 GLN 8 1HE2 GLN 8 -8.623 -16.377 -9.427
37 HE22 GLN 8 2HE2 GLN 8 -10.051 -15.405 -9.417
38 H LYS 9 H LYS 9 -11.277 -15.739 -4.499
39 HA LYS 9 HA LYS 9 -10.680 -13.574 -6.388
40 HB2 LYS 9 1HB LYS 9 -12.983 -14.320 -6.430
41 HB3 LYS 9 2HB LYS 9 -13.118 -14.119 -4.688
42 HG2 LYS 9 1HG LYS 9 -14.172 -12.235 -5.485
43 HG3 LYS 9 2HG LYS 9 -12.537 -11.643 -5.177
44 HD2 LYS 9 1HD LYS 9 -12.034 -11.468 -7.407
45 HD3 LYS 9 2HD LYS 9 -13.166 -12.739 -7.873
46 HE2 LYS 9 1HE LYS 9 -14.170 -10.150 -6.757
47 HE3 LYS 9 2HE LYS 9 -13.703 -10.265 -8.453
48 HZ1 LYS 9 3HZ LYS 9 -15.679 -12.054 -7.147
49 HZ2 LYS 9 1HZ LYS 9 -15.311 -11.978 -8.797
50 HZ3 LYS 9 2HZ LYS 9 -16.090 -10.679 -8.043
51 H GLU 10 H GLU 10 -9.975 -11.620 -5.729
52 HA GLU 10 HA GLU 10 -10.280 -10.661 -3.058
53 HB2 GLU 10 1HB GLU 10 -8.306 -12.419 -3.113
54 HB3 GLU 10 2HB GLU 10 -7.408 -11.060 -3.775
55 HG2 GLU 10 1HG GLU 10 -7.111 -11.227 -1.372
56 HG3 GLU 10 2HG GLU 10 -7.936 -9.732 -1.808
57 H LYS 11 H LYS 11 -9.934 -8.484 -2.922
58 HA LYS 11 HA LYS 11 -9.628 -7.071 -5.406
59 HB2 LYS 11 1HB LYS 11 -9.958 -6.083 -2.568
60 HB3 LYS 11 2HB LYS 11 -9.952 -5.044 -3.988
61 HG2 LYS 11 1HG LYS 11 -11.873 -6.661 -4.770
62 HG3 LYS 11 2HG LYS 11 -12.026 -6.947 -3.035
63 HD2 LYS 11 1HD LYS 11 -13.500 -5.180 -3.460
64 HD3 LYS 11 2HD LYS 11 -12.059 -4.395 -2.809
65 HE2 LYS 11 1HE LYS 11 -12.867 -3.163 -4.727
66 HE3 LYS 11 2HE LYS 11 -11.317 -3.911 -5.109
67 HZ1 LYS 11 3HZ LYS 11 -12.367 -5.552 -6.403
68 HZ2 LYS 11 1HZ LYS 11 -13.095 -4.093 -6.856
69 HZ3 LYS 11 2HZ LYS 11 -13.906 -5.159 -5.822
70 H CYS 12 H CYS 12 -7.873 -6.064 -6.182
71 HA CYS 12 HA CYS 12 -5.437 -6.132 -4.538
72 HB2 CYS 12 1HB CYS 12 -5.411 -7.396 -6.691
73 HB3 CYS 12 2HB CYS 12 -5.660 -5.876 -7.543
74 HG CYS 12 HG CYS 12 -3.197 -4.883 -6.163
75 H PHE 13 H PHE 13 -4.189 -4.319 -4.255
76 HA PHE 13 HA PHE 13 -5.383 -1.788 -5.176
77 HB2 PHE 13 1HB PHE 13 -3.690 -2.185 -2.704
78 HB3 PHE 13 2HB PHE 13 -4.579 -0.737 -3.163
79 HD1 PHE 13 HD2 PHE 13 -4.934 -4.227 -2.021
80 HD2 PHE 13 HD1 PHE 13 -6.864 -0.483 -2.635
81 HE1 PHE 13 HE2 PHE 13 -6.880 -5.025 -0.745
82 HE2 PHE 13 HE1 PHE 13 -8.813 -1.275 -1.359
83 HZ PHE 13 HZ PHE 13 -8.824 -3.549 -0.413
84 H LYS 14 H LYS 14 -4.221 -0.745 -6.637
85 HA LYS 14 HA LYS 14 -1.347 -1.297 -6.835
86 HB2 LYS 14 1HB LYS 14 -2.824 -1.618 -8.842
87 HB3 LYS 14 2HB LYS 14 -3.118 0.116 -8.834
88 HG2 LYS 14 1HG LYS 14 -0.667 0.468 -9.086
89 HG3 LYS 14 2HG LYS 14 -0.488 -1.279 -9.271
90 HD2 LYS 14 1HD LYS 14 -2.320 -0.955 -11.122
91 HD3 LYS 14 2HD LYS 14 -1.739 0.712 -11.110
92 HE2 LYS 14 1HE LYS 14 0.494 -0.003 -11.626
93 HE3 LYS 14 2HE LYS 14 0.040 -1.698 -11.448
94 HZ1 LYS 14 3HZ LYS 14 0.148 -1.096 -13.767
95 HZ2 LYS 14 1HZ LYS 14 -0.953 0.168 -13.534
96 HZ3 LYS 14 2HZ LYS 14 -1.455 -1.436 -13.348
97 H CYS 15 H CYS 15 0.165 0.402 -7.054
98 HA CYS 15 HA CYS 15 -0.525 2.749 -5.513
99 HB2 CYS 15 1HB CYS 15 1.697 1.331 -5.497
100 HB3 CYS 15 2HB CYS 15 2.138 2.393 -6.830
101 H ASN 16 H ASN 16 0.593 4.871 -6.357
102 HA ASN 16 HA ASN 16 -0.415 5.296 -9.088
103 HB2 ASN 16 1HB ASN 16 -1.510 6.597 -7.264
104 HB3 ASN 16 2HB ASN 16 0.040 7.358 -6.922
105 HD21 ASN 16 1HD2 ASN 16 -1.829 6.621 -9.850
106 HD22 ASN 16 2HD2 ASN 16 -1.740 8.215 -10.511
107 H LYS 17 H LYS 17 2.088 6.618 -6.914
108 HA LYS 17 HA LYS 17 3.660 7.811 -8.873
109 HB2 LYS 17 1HB LYS 17 4.479 6.609 -6.223
110 HB3 LYS 17 2HB LYS 17 5.517 7.630 -7.210
111 HG2 LYS 17 1HG LYS 17 2.838 8.662 -6.439
112 HG3 LYS 17 2HG LYS 17 4.114 8.614 -5.219
113 HD2 LYS 17 1HD LYS 17 4.330 10.737 -6.161
114 HD3 LYS 17 2HD LYS 17 5.564 9.787 -6.992
115 HE2 LYS 17 1HE LYS 17 4.407 9.771 -8.975
116 HE3 LYS 17 2HE LYS 17 2.841 9.955 -8.187
117 HZ1 LYS 17 3HZ LYS 17 4.513 12.220 -7.746
118 HZ2 LYS 17 1HZ LYS 17 2.953 12.148 -8.398
119 HZ3 LYS 17 2HZ LYS 17 4.299 11.931 -9.399
120 H CYS 18 H CYS 18 4.578 4.812 -7.178
121 HA CYS 18 HA CYS 18 6.349 4.040 -9.288
122 HB2 CYS 18 1HB CYS 18 6.675 1.988 -7.955
123 HB3 CYS 18 2HB CYS 18 6.845 3.442 -6.977
124 H GLU 19 H GLU 19 3.080 3.209 -8.331
125 HA GLU 19 HA GLU 19 1.403 2.199 -9.512
126 HB2 GLU 19 1HB GLU 19 3.330 1.668 -11.763
127 HB3 GLU 19 2HB GLU 19 1.582 1.845 -11.840
128 HG2 GLU 19 1HG GLU 19 1.736 4.195 -11.426
129 HG3 GLU 19 2HG GLU 19 3.467 4.073 -11.116
130 H LYS 20 H LYS 20 2.900 0.787 -7.654
131 HA LYS 20 HA LYS 20 3.282 -1.865 -8.852
132 HB2 LYS 20 1HB LYS 20 4.304 -0.526 -6.387
133 HB3 LYS 20 2HB LYS 20 4.147 -2.278 -6.384
134 HG2 LYS 20 1HG LYS 20 5.671 -2.504 -8.188
135 HG3 LYS 20 2HG LYS 20 5.662 -0.765 -8.495
136 HD2 LYS 20 1HD LYS 20 6.586 -0.500 -6.141
137 HD3 LYS 20 2HD LYS 20 6.865 -2.243 -6.167
138 HE2 LYS 20 1HE LYS 20 8.382 -2.063 -7.977
139 HE3 LYS 20 2HE LYS 20 7.915 -0.393 -8.295
140 HZ1 LYS 20 3HZ LYS 20 10.043 -1.176 -6.814
141 HZ2 LYS 20 1HZ LYS 20 8.894 -0.811 -5.628
142 HZ3 LYS 20 2HZ LYS 20 9.332 0.359 -6.769
143 H THR 21 H THR 21 2.082 -3.612 -8.255
144 HA THR 21 HA THR 21 -0.387 -3.051 -6.823
145 HB THR 21 HB THR 21 -0.992 -5.402 -7.514
146 HG1 THR 21 HG1 THR 21 1.167 -5.289 -9.318
147 HG21 THR 21 3HG2 THR 21 -1.670 -4.741 -9.633
148 HG22 THR 21 1HG2 THR 21 -0.189 -3.833 -9.935
149 HG23 THR 21 2HG2 THR 21 -1.404 -3.194 -8.828
150 H PHE 22 H PHE 22 -1.064 -4.092 -4.967
151 HA PHE 22 HA PHE 22 0.941 -5.752 -3.592
152 HB2 PHE 22 1HB PHE 22 -0.731 -3.520 -2.427
153 HB3 PHE 22 2HB PHE 22 0.170 -4.676 -1.453
154 HD1 PHE 22 HD1 PHE 22 2.674 -4.779 -1.712
155 HD2 PHE 22 HD2 PHE 22 0.311 -1.634 -3.337
156 HE1 PHE 22 HE1 PHE 22 4.681 -3.367 -1.889
157 HE2 PHE 22 HE2 PHE 22 2.314 -0.218 -3.518
158 HZ PHE 22 HZ PHE 22 4.503 -1.083 -2.794
159 H SER 23 H SER 23 -0.113 -6.876 -1.628
160 HA SER 23 HA SER 23 -2.240 -8.489 -2.625
161 HB2 SER 23 1HB SER 23 -0.993 -8.359 0.131
162 HB3 SER 23 2HB SER 23 -2.116 -9.606 -0.409
163 HG SER 23 HG SER 23 0.558 -9.233 -1.025
164 H CYS 24 H CYS 24 -2.012 -6.178 0.074
165 HA CYS 24 HA CYS 24 -4.924 -5.811 -0.118
166 HB2 CYS 24 1HB CYS 24 -5.145 -5.729 2.261
167 HB3 CYS 24 2HB CYS 24 -4.253 -7.196 1.875
168 HG CYS 24 HG CYS 24 -3.364 -5.721 4.248
169 H SER 25 H SER 25 -5.454 -3.777 1.417
170 HA SER 25 HA SER 25 -4.226 -1.561 0.102
171 HB2 SER 25 1HB SER 25 -5.732 -0.186 1.490
172 HB3 SER 25 2HB SER 25 -6.598 -1.517 0.725
173 HG SER 25 HG SER 25 -6.664 -2.584 2.654
174 H LYS 26 H LYS 26 -4.263 -2.688 3.476
175 HA LYS 26 HA LYS 26 -2.827 -0.816 4.776
176 HB2 LYS 26 1HB LYS 26 -3.619 -3.251 5.466
177 HB3 LYS 26 2HB LYS 26 -1.928 -3.634 5.174
178 HG2 LYS 26 1HG LYS 26 -2.507 -1.278 6.870
179 HG3 LYS 26 2HG LYS 26 -2.837 -2.874 7.549
180 HD2 LYS 26 1HD LYS 26 -0.646 -2.575 8.179
181 HD3 LYS 26 2HD LYS 26 -0.438 -3.418 6.642
182 HE2 LYS 26 1HE LYS 26 0.350 -1.562 5.576
183 HE3 LYS 26 2HE LYS 26 -0.585 -0.454 6.579
184 HZ1 LYS 26 3HZ LYS 26 0.970 -1.022 8.425
185 HZ2 LYS 26 1HZ LYS 26 1.686 -0.186 7.140
186 HZ3 LYS 26 2HZ LYS 26 1.927 -1.852 7.304
187 H TYR 27 H TYR 27 -1.200 -3.610 3.261
188 HA TYR 27 HA TYR 27 1.396 -2.790 3.493
189 HB2 TYR 27 1HB TYR 27 0.200 -4.198 1.097
190 HB3 TYR 27 2HB TYR 27 1.903 -4.186 1.543
191 HD1 TYR 27 HD1 TYR 27 1.272 -4.444 4.596
192 HD2 TYR 27 HD2 TYR 27 0.033 -6.610 1.149
193 HE1 TYR 27 HE1 TYR 27 0.923 -6.444 5.985
194 HE2 TYR 27 HE2 TYR 27 -0.320 -8.615 2.529
195 HH TYR 27 HH TYR 27 0.184 -9.556 4.571
196 H LEU 28 H LEU 28 -0.983 -1.735 1.131
197 HA LEU 28 HA LEU 28 0.899 -0.221 -0.423
198 HB2 LEU 28 1HB LEU 28 -1.042 -1.100 -1.515
199 HB3 LEU 28 2HB LEU 28 -2.111 -0.293 -0.369
200 HG LEU 28 HG LEU 28 -1.348 1.891 -1.293
201 HD11 LEU 28 1HD1 LEU 28 0.780 0.689 -2.256
202 HD12 LEU 28 2HD1 LEU 28 0.076 2.085 -3.073
203 HD13 LEU 28 3HD1 LEU 28 -0.259 0.457 -3.663
204 HD21 LEU 28 3HD2 LEU 28 -3.361 0.434 -2.090
205 HD22 LEU 28 1HD2 LEU 28 -2.403 0.261 -3.560
206 HD23 LEU 28 2HD2 LEU 28 -2.886 1.865 -3.007
207 H THR 29 H THR 29 -2.023 0.921 1.263
208 HA THR 29 HA THR 29 -1.660 3.550 1.394
209 HB THR 29 HB THR 29 -3.338 1.988 2.709
210 HG1 THR 29 HG1 THR 29 -3.146 4.455 2.454
211 HG21 THR 29 3HG2 THR 29 -2.969 2.039 5.114
212 HG22 THR 29 1HG2 THR 29 -1.422 2.851 4.879
213 HG23 THR 29 2HG2 THR 29 -1.643 1.195 4.315
214 H GLN 30 H GLN 30 0.070 1.255 3.470
215 HA GLN 30 HA GLN 30 1.518 3.253 4.891
216 HB2 GLN 30 1HB GLN 30 1.088 0.937 5.728
217 HB3 GLN 30 2HB GLN 30 2.233 0.339 4.535
218 HG2 GLN 30 1HG GLN 30 3.832 2.082 5.678
219 HG3 GLN 30 2HG GLN 30 2.719 1.878 7.029
220 HE21 GLN 30 1HE2 GLN 30 4.324 -0.194 4.631
221 HE22 GLN 30 2HE2 GLN 30 4.859 -1.382 5.765
222 H HIS 31 H HIS 31 2.301 1.133 2.158
223 HA HIS 31 HA HIS 31 4.979 1.887 1.851
224 HB2 HIS 31 1HB HIS 31 4.475 0.025 0.596
225 HB3 HIS 31 2HB HIS 31 2.915 0.661 0.081
226 HD1 HIS 31 HD1 HIS 31 6.387 0.272 -0.998
227 HD2 HIS 31 HD2 HIS 31 3.128 2.626 -2.048
228 HE1 HIS 31 HE1 HIS 31 6.943 1.220 -3.260
229 H GLU 32 H GLU 32 2.013 3.275 0.515
230 HA GLU 32 HA GLU 32 2.971 5.051 -1.320
231 HB2 GLU 32 1HB GLU 32 0.760 5.419 0.699
232 HB3 GLU 32 2HB GLU 32 1.071 6.564 -0.598
233 HG2 GLU 32 1HG GLU 32 0.598 4.901 -2.258
234 HG3 GLU 32 2HG GLU 32 0.460 3.649 -1.024
235 H ARG 33 H ARG 33 3.532 5.070 2.066
236 HA ARG 33 HA ARG 33 4.078 7.806 2.465
237 HB2 ARG 33 1HB ARG 33 5.065 5.330 3.882
238 HB3 ARG 33 2HB ARG 33 5.453 6.961 4.416
239 HG2 ARG 33 1HG ARG 33 2.928 7.347 4.479
240 HG3 ARG 33 2HG ARG 33 2.790 5.591 4.368
241 HD2 ARG 33 1HD ARG 33 4.508 5.641 6.345
242 HD3 ARG 33 2HD ARG 33 3.894 7.279 6.567
243 HE ARG 33 HE ARG 33 1.678 5.644 6.374
244 HH11 ARG 33 1HH1 ARG 33 4.445 5.953 8.464
245 HH12 ARG 33 2HH1 ARG 33 3.621 5.348 9.862
246 HH21 ARG 33 1HH2 ARG 33 0.581 4.846 8.208
247 HH22 ARG 33 2HH2 ARG 33 1.423 4.717 9.715
248 H ILE 34 H ILE 34 6.112 5.102 1.446
249 HA ILE 34 HA ILE 34 8.619 6.199 1.565
250 HB ILE 34 HB ILE 34 9.328 4.660 -0.057
251 HG12 ILE 34 1HG1 ILE 34 6.494 4.555 -1.112
252 HG13 ILE 34 2HG1 ILE 34 7.816 5.446 -1.859
253 HG21 ILE 34 1HG2 ILE 34 7.052 2.977 0.539
254 HG22 ILE 34 2HG2 ILE 34 8.724 2.846 1.082
255 HG23 ILE 34 3HG2 ILE 34 7.591 3.876 1.957
256 HD11 ILE 34 3HD1 ILE 34 7.373 3.307 -2.963
257 HD12 ILE 34 1HD1 ILE 34 9.000 3.387 -2.289
258 HD13 ILE 34 2HD1 ILE 34 7.746 2.466 -1.459
259 H HIS 35 H HIS 35 6.029 7.018 -0.602
260 HA HIS 35 HA HIS 35 7.743 8.551 -2.370
261 HB2 HIS 35 1HB HIS 35 4.726 8.343 -2.295
262 HB3 HIS 35 2HB HIS 35 5.681 9.076 -3.580
263 HD1 HIS 35 HD1 HIS 35 7.741 7.019 -4.208
264 HD2 HIS 35 HD2 HIS 35 3.815 6.012 -3.299
265 HE1 HIS 35 HE1 HIS 35 7.382 4.742 -5.212
266 H THR 36 H THR 36 4.998 9.265 -0.210
267 HA THR 36 HA THR 36 5.435 12.094 -0.350
268 HB THR 36 HB THR 36 3.709 12.242 1.415
269 HG1 THR 36 HG1 THR 36 2.688 10.149 1.948
270 HG21 THR 36 3HG2 THR 36 2.086 10.555 -0.052
271 HG22 THR 36 1HG2 THR 36 3.377 10.963 -1.181
272 HG23 THR 36 2HG2 THR 36 2.430 12.244 -0.424
273 H ARG 37 H ARG 37 7.624 12.302 0.310
274 HA ARG 37 HA ARG 37 7.991 12.054 3.222
275 HB2 ARG 37 1HB ARG 37 9.336 10.481 1.591
276 HB3 ARG 37 2HB ARG 37 10.332 11.913 1.368
277 HG2 ARG 37 1HG ARG 37 10.979 11.949 3.624
278 HG3 ARG 37 2HG ARG 37 9.703 10.822 4.090
279 HD2 ARG 37 1HD ARG 37 11.729 9.937 2.096
280 HD3 ARG 37 2HD ARG 37 12.205 10.033 3.792
281 HE ARG 37 HE ARG 37 9.920 8.627 3.919
282 HH11 ARG 37 1HH1 ARG 37 12.761 8.300 1.933
283 HH12 ARG 37 2HH1 ARG 37 12.618 6.580 1.783
284 HH21 ARG 37 1HH2 ARG 37 9.721 6.362 3.728
285 HH22 ARG 37 2HH2 ARG 37 10.887 5.479 2.804
286 H GLY 38 H GLY 38 9.596 13.599 0.427
287 HA2 GLY 38 1HA GLY 38 10.620 15.780 1.852
288 HA3 GLY 38 2HA GLY 38 10.349 15.744 0.116
289 H VAL 39 H VAL 39 7.608 15.509 -0.014
290 HA VAL 39 HA VAL 39 6.779 18.175 0.330
291 HB VAL 39 HB VAL 39 5.790 16.678 -1.351
292 HG11 VAL 39 1HG1 VAL 39 5.635 14.828 0.612
293 HG12 VAL 39 2HG1 VAL 39 3.965 15.394 0.567
294 HG13 VAL 39 3HG1 VAL 39 4.719 14.751 -0.892
295 HG21 VAL 39 3HG2 VAL 39 3.375 17.282 0.167
296 HG22 VAL 39 1HG2 VAL 39 4.523 18.621 0.120
297 HG23 VAL 39 2HG2 VAL 39 3.927 17.916 -1.383
298 H LYS 40 H LYS 40 5.902 19.225 1.995
299 HA LYS 40 HA LYS 40 4.859 17.649 4.254
300 HB2 LYS 40 1HB LYS 40 6.981 18.498 4.961
301 HB3 LYS 40 2HB LYS 40 6.623 20.096 4.320
302 HG2 LYS 40 1HG LYS 40 4.850 20.352 6.005
303 HG3 LYS 40 2HG LYS 40 5.278 18.773 6.668
304 HD2 LYS 40 1HD LYS 40 7.426 20.813 6.366
305 HD3 LYS 40 2HD LYS 40 6.261 21.008 7.678
306 HE2 LYS 40 1HE LYS 40 7.554 18.352 7.265
307 HE3 LYS 40 2HE LYS 40 8.480 19.644 8.028
308 HZ1 LYS 40 3HZ LYS 40 5.789 18.864 8.980
309 HZ2 LYS 40 1HZ LYS 40 6.961 19.777 9.789
310 HZ3 LYS 40 2HZ LYS 40 7.196 18.119 9.552
311 H SER 41 H SER 41 2.712 17.912 3.758
312 HA SER 41 HA SER 41 1.713 20.679 3.618
313 HB2 SER 41 1HB SER 41 1.050 19.555 1.641
314 HB3 SER 41 2HB SER 41 0.615 18.092 2.523
315 HG SER 41 HG SER 41 -1.213 19.030 3.216
316 H GLY 42 H GLY 42 1.195 21.302 5.629
317 HA2 GLY 42 1HA GLY 42 -0.491 21.373 7.314
318 HA3 GLY 42 2HA GLY 42 -0.751 19.650 7.083
319 HA PRO 43 HA PRO 43 2.319 20.714 10.614
320 HB2 PRO 43 1HB PRO 43 0.623 20.728 12.734
321 HB3 PRO 43 2HB PRO 43 1.042 22.188 11.829
322 HG2 PRO 43 1HG PRO 43 -1.392 20.459 11.614
323 HG3 PRO 43 2HG PRO 43 -1.273 22.229 11.614
324 HD2 PRO 43 1HD PRO 43 -1.575 20.790 9.341
325 HD3 PRO 43 2HD PRO 43 -0.666 22.314 9.392
326 H SER 44 H SER 44 -0.595 18.687 10.647
327 HA SER 44 HA SER 44 1.001 16.530 11.866
328 HB2 SER 44 1HB SER 44 -1.061 15.618 12.758
329 HB3 SER 44 2HB SER 44 -0.947 17.317 13.215
330 HG SER 44 HG SER 44 -2.777 16.048 11.619
331 H SER 45 H SER 45 1.280 14.686 10.769
332 HA SER 45 HA SER 45 -0.354 14.239 8.360
333 HB2 SER 45 1HB SER 45 2.601 13.632 8.600
334 HB3 SER 45 2HB SER 45 1.597 13.456 7.161
335 HG SER 45 HG SER 45 2.379 15.845 8.465
336 H GLY 46 H GLY 46 -1.665 12.652 9.130
337 HA2 GLY 46 1HA GLY 46 -2.299 10.647 10.089
338 HA3 GLY 46 2HA GLY 46 -1.003 10.026 9.078
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -4.339 -18.882 -25.023
2 HA2 GLY 1 1HA GLY 1 -6.340 -18.376 -23.909
3 HA3 GLY 1 2HA GLY 1 -7.132 -19.677 -24.786
4 H SER 2 H SER 2 -6.197 -18.726 -21.805
5 HA SER 2 HA SER 2 -6.324 -21.463 -20.795
6 HB2 SER 2 1HB SER 2 -3.922 -20.990 -20.955
7 HB3 SER 2 2HB SER 2 -4.140 -19.514 -20.014
8 HG SER 2 HG SER 2 -5.065 -21.903 -18.910
9 H SER 3 H SER 3 -7.520 -21.639 -18.992
10 HA SER 3 HA SER 3 -7.887 -19.419 -17.185
11 HB2 SER 3 1HB SER 3 -10.242 -19.133 -17.476
12 HB3 SER 3 2HB SER 3 -9.521 -19.021 -19.082
13 HG SER 3 HG SER 3 -11.344 -20.779 -18.148
14 H GLY 4 H GLY 4 -8.940 -20.015 -15.225
15 HA2 GLY 4 1HA GLY 4 -9.696 -22.806 -14.877
16 HA3 GLY 4 2HA GLY 4 -8.273 -22.278 -13.992
17 H SER 5 H SER 5 -8.857 -22.132 -11.924
18 HA SER 5 HA SER 5 -11.170 -20.441 -11.277
19 HB2 SER 5 1HB SER 5 -10.514 -23.090 -9.965
20 HB3 SER 5 2HB SER 5 -11.774 -21.976 -9.433
21 HG SER 5 HG SER 5 -12.516 -23.706 -10.815
22 H SER 6 H SER 6 -9.849 -18.724 -10.723
23 HA SER 6 HA SER 6 -8.126 -19.155 -8.371
24 HB2 SER 6 1HB SER 6 -6.883 -18.517 -10.442
25 HB3 SER 6 2HB SER 6 -7.797 -17.009 -10.481
26 HG SER 6 HG SER 6 -5.785 -17.835 -8.727
27 H GLY 7 H GLY 7 -10.002 -18.795 -7.038
28 HA2 GLY 7 1HA GLY 7 -11.326 -17.488 -5.694
29 HA3 GLY 7 2HA GLY 7 -10.200 -16.186 -6.048
30 H GLN 8 H GLN 8 -12.876 -15.670 -5.654
31 HA GLN 8 HA GLN 8 -13.895 -15.155 -8.366
32 HB2 GLN 8 1HB GLN 8 -15.293 -15.448 -5.715
33 HB3 GLN 8 2HB GLN 8 -16.084 -14.722 -7.107
34 HG2 GLN 8 1HG GLN 8 -16.736 -16.994 -7.031
35 HG3 GLN 8 2HG GLN 8 -15.603 -16.821 -8.371
36 HE21 GLN 8 1HE2 GLN 8 -15.725 -17.676 -4.938
37 HE22 GLN 8 2HE2 GLN 8 -14.496 -18.888 -5.017
38 H LYS 9 H LYS 9 -13.657 -13.669 -5.141
39 HA LYS 9 HA LYS 9 -14.466 -11.098 -5.847
40 HB2 LYS 9 1HB LYS 9 -14.085 -12.029 -3.516
41 HB3 LYS 9 2HB LYS 9 -12.371 -11.723 -3.766
42 HG2 LYS 9 1HG LYS 9 -12.956 -9.809 -2.688
43 HG3 LYS 9 2HG LYS 9 -13.236 -9.306 -4.357
44 HD2 LYS 9 1HD LYS 9 -15.620 -9.899 -4.100
45 HD3 LYS 9 2HD LYS 9 -15.314 -10.310 -2.411
46 HE2 LYS 9 1HE LYS 9 -14.631 -7.605 -3.516
47 HE3 LYS 9 2HE LYS 9 -16.258 -7.980 -2.949
48 HZ1 LYS 9 3HZ LYS 9 -13.941 -8.525 -1.217
49 HZ2 LYS 9 1HZ LYS 9 -15.547 -8.210 -0.787
50 HZ3 LYS 9 2HZ LYS 9 -14.555 -6.952 -1.327
51 H GLU 10 H GLU 10 -13.559 -9.508 -6.983
52 HA GLU 10 HA GLU 10 -10.755 -9.829 -7.807
53 HB2 GLU 10 1HB GLU 10 -12.961 -8.204 -9.084
54 HB3 GLU 10 2HB GLU 10 -11.319 -8.352 -9.692
55 HG2 GLU 10 1HG GLU 10 -13.149 -10.705 -9.331
56 HG3 GLU 10 2HG GLU 10 -13.052 -9.776 -10.825
57 H LYS 11 H LYS 11 -9.402 -8.671 -6.609
58 HA LYS 11 HA LYS 11 -9.692 -5.832 -6.405
59 HB2 LYS 11 1HB LYS 11 -11.139 -6.395 -4.559
60 HB3 LYS 11 2HB LYS 11 -9.949 -7.514 -3.908
61 HG2 LYS 11 1HG LYS 11 -8.456 -5.332 -3.862
62 HG3 LYS 11 2HG LYS 11 -10.038 -4.553 -3.788
63 HD2 LYS 11 1HD LYS 11 -9.336 -6.826 -1.959
64 HD3 LYS 11 2HD LYS 11 -8.870 -5.167 -1.576
65 HE2 LYS 11 1HE LYS 11 -11.696 -5.745 -2.333
66 HE3 LYS 11 2HE LYS 11 -11.141 -6.167 -0.714
67 HZ1 LYS 11 3HZ LYS 11 -11.871 -4.040 -0.395
68 HZ2 LYS 11 1HZ LYS 11 -11.435 -3.520 -1.945
69 HZ3 LYS 11 2HZ LYS 11 -10.248 -3.735 -0.760
70 H CYS 12 H CYS 12 -7.722 -4.969 -6.490
71 HA CYS 12 HA CYS 12 -5.469 -6.384 -5.277
72 HB2 CYS 12 1HB CYS 12 -5.719 -5.636 -8.180
73 HB3 CYS 12 2HB CYS 12 -4.142 -5.775 -7.413
74 HG CYS 12 HG CYS 12 -4.292 -8.445 -6.871
75 H PHE 13 H PHE 13 -4.685 -4.958 -3.878
76 HA PHE 13 HA PHE 13 -5.037 -2.153 -4.114
77 HB2 PHE 13 1HB PHE 13 -3.060 -3.602 -2.345
78 HB3 PHE 13 2HB PHE 13 -3.713 -1.985 -2.105
79 HD1 PHE 13 HD1 PHE 13 -6.311 -1.848 -1.877
80 HD2 PHE 13 HD2 PHE 13 -4.020 -5.378 -1.241
81 HE1 PHE 13 HE1 PHE 13 -8.138 -2.785 -0.522
82 HE2 PHE 13 HE2 PHE 13 -5.843 -6.321 0.114
83 HZ PHE 13 HZ PHE 13 -7.906 -5.025 0.475
84 H LYS 14 H LYS 14 -4.138 -1.270 -5.914
85 HA LYS 14 HA LYS 14 -1.251 -1.670 -6.327
86 HB2 LYS 14 1HB LYS 14 -2.774 -2.277 -8.216
87 HB3 LYS 14 2HB LYS 14 -3.276 -0.593 -8.296
88 HG2 LYS 14 1HG LYS 14 -0.792 -0.065 -8.615
89 HG3 LYS 14 2HG LYS 14 -0.609 -1.788 -8.952
90 HD2 LYS 14 1HD LYS 14 -2.634 -1.327 -10.583
91 HD3 LYS 14 2HD LYS 14 -2.009 0.323 -10.519
92 HE2 LYS 14 1HE LYS 14 -0.895 -0.606 -12.337
93 HE3 LYS 14 2HE LYS 14 0.274 -0.752 -11.026
94 HZ1 LYS 14 3HZ LYS 14 0.343 -2.839 -11.923
95 HZ2 LYS 14 1HZ LYS 14 -1.291 -2.845 -12.361
96 HZ3 LYS 14 2HZ LYS 14 -0.847 -3.071 -10.744
97 H CYS 15 H CYS 15 0.090 0.125 -6.703
98 HA CYS 15 HA CYS 15 -0.745 2.513 -5.310
99 HB2 CYS 15 1HB CYS 15 1.602 1.288 -5.336
100 HB3 CYS 15 2HB CYS 15 1.877 2.328 -6.729
101 H ASN 16 H ASN 16 0.253 4.636 -6.400
102 HA ASN 16 HA ASN 16 -0.954 4.777 -9.082
103 HB2 ASN 16 1HB ASN 16 -1.987 6.125 -7.181
104 HB3 ASN 16 2HB ASN 16 -0.526 7.108 -7.214
105 HD21 ASN 16 1HD2 ASN 16 -1.393 8.981 -7.919
106 HD22 ASN 16 2HD2 ASN 16 -2.138 9.184 -9.465
107 H LYS 17 H LYS 17 1.566 6.373 -7.124
108 HA LYS 17 HA LYS 17 2.936 7.557 -9.252
109 HB2 LYS 17 1HB LYS 17 3.650 6.814 -6.449
110 HB3 LYS 17 2HB LYS 17 4.939 7.299 -7.543
111 HG2 LYS 17 1HG LYS 17 4.339 9.268 -6.465
112 HG3 LYS 17 2HG LYS 17 3.505 9.365 -8.018
113 HD2 LYS 17 1HD LYS 17 1.508 8.324 -6.793
114 HD3 LYS 17 2HD LYS 17 2.367 8.743 -5.308
115 HE2 LYS 17 1HE LYS 17 1.837 10.768 -7.462
116 HE3 LYS 17 2HE LYS 17 0.651 10.416 -6.207
117 HZ1 LYS 17 3HZ LYS 17 2.465 10.920 -4.571
118 HZ2 LYS 17 1HZ LYS 17 1.908 12.246 -5.461
119 HZ3 LYS 17 2HZ LYS 17 3.380 11.516 -5.863
120 H CYS 18 H CYS 18 4.099 4.742 -7.394
121 HA CYS 18 HA CYS 18 5.853 3.950 -9.519
122 HB2 CYS 18 1HB CYS 18 6.416 2.057 -8.059
123 HB3 CYS 18 2HB CYS 18 6.464 3.579 -7.175
124 H GLU 19 H GLU 19 2.711 2.939 -8.324
125 HA GLU 19 HA GLU 19 1.070 1.692 -9.306
126 HB2 GLU 19 1HB GLU 19 2.872 1.293 -11.687
127 HB3 GLU 19 2HB GLU 19 1.116 1.234 -11.632
128 HG2 GLU 19 1HG GLU 19 2.468 3.773 -10.893
129 HG3 GLU 19 2HG GLU 19 2.397 3.317 -12.594
130 H LYS 20 H LYS 20 2.763 0.496 -7.513
131 HA LYS 20 HA LYS 20 3.391 -2.133 -8.655
132 HB2 LYS 20 1HB LYS 20 4.341 -0.624 -6.258
133 HB3 LYS 20 2HB LYS 20 4.393 -2.381 -6.223
134 HG2 LYS 20 1HG LYS 20 5.588 -2.066 -8.542
135 HG3 LYS 20 2HG LYS 20 5.943 -0.466 -7.887
136 HD2 LYS 20 1HD LYS 20 7.150 -1.357 -6.077
137 HD3 LYS 20 2HD LYS 20 6.491 -2.975 -6.327
138 HE2 LYS 20 1HE LYS 20 8.592 -3.219 -7.221
139 HE3 LYS 20 2HE LYS 20 7.673 -2.763 -8.654
140 HZ1 LYS 20 3HZ LYS 20 8.613 -0.697 -8.715
141 HZ2 LYS 20 1HZ LYS 20 9.906 -1.578 -8.070
142 HZ3 LYS 20 2HZ LYS 20 8.925 -0.649 -7.053
143 H THR 21 H THR 21 2.235 -3.894 -8.164
144 HA THR 21 HA THR 21 -0.193 -3.604 -6.660
145 HB THR 21 HB THR 21 -0.497 -6.045 -7.168
146 HG1 THR 21 HG1 THR 21 1.204 -6.505 -9.022
147 HG21 THR 21 3HG2 THR 21 -0.979 -3.943 -8.730
148 HG22 THR 21 1HG2 THR 21 -1.281 -5.596 -9.265
149 HG23 THR 21 2HG2 THR 21 0.195 -4.765 -9.757
150 H PHE 22 H PHE 22 -0.723 -4.470 -4.694
151 HA PHE 22 HA PHE 22 1.461 -5.749 -3.186
152 HB2 PHE 22 1HB PHE 22 -0.553 -3.709 -2.226
153 HB3 PHE 22 2HB PHE 22 0.493 -4.632 -1.151
154 HD1 PHE 22 HD2 PHE 22 0.506 -2.187 -3.930
155 HD2 PHE 22 HD1 PHE 22 2.692 -3.952 -0.733
156 HE1 PHE 22 HE2 PHE 22 2.275 -0.501 -4.214
157 HE2 PHE 22 HE1 PHE 22 4.465 -2.268 -1.011
158 HZ PHE 22 HZ PHE 22 4.258 -0.540 -2.754
159 H SER 23 H SER 23 0.281 -6.559 -0.959
160 HA SER 23 HA SER 23 -1.690 -8.500 -1.922
161 HB2 SER 23 1HB SER 23 0.387 -9.318 -0.793
162 HB3 SER 23 2HB SER 23 -0.148 -8.514 0.683
163 HG SER 23 HG SER 23 -2.164 -9.848 0.267
164 H CYS 24 H CYS 24 -1.116 -6.514 0.986
165 HA CYS 24 HA CYS 24 -4.020 -6.496 1.446
166 HB2 CYS 24 1HB CYS 24 -2.283 -7.327 3.217
167 HB3 CYS 24 2HB CYS 24 -2.019 -5.610 3.495
168 HG CYS 24 HG CYS 24 -3.710 -6.198 5.492
169 H SER 25 H SER 25 -4.724 -4.420 2.667
170 HA SER 25 HA SER 25 -4.001 -2.193 0.954
171 HB2 SER 25 1HB SER 25 -5.865 -1.044 2.304
172 HB3 SER 25 2HB SER 25 -6.333 -2.387 1.262
173 HG SER 25 HG SER 25 -5.631 -2.973 3.897
174 H LYS 26 H LYS 26 -3.229 -3.365 4.062
175 HA LYS 26 HA LYS 26 -2.557 -0.828 5.235
176 HB2 LYS 26 1HB LYS 26 -1.693 -2.117 7.088
177 HB3 LYS 26 2HB LYS 26 -3.241 -2.789 6.591
178 HG2 LYS 26 1HG LYS 26 -2.064 -4.713 6.817
179 HG3 LYS 26 2HG LYS 26 -1.681 -4.351 5.132
180 HD2 LYS 26 1HD LYS 26 0.397 -4.841 6.060
181 HD3 LYS 26 2HD LYS 26 0.344 -3.077 6.100
182 HE2 LYS 26 1HE LYS 26 1.175 -3.818 8.207
183 HE3 LYS 26 2HE LYS 26 -0.472 -3.242 8.460
184 HZ1 LYS 26 3HZ LYS 26 0.038 -5.363 9.596
185 HZ2 LYS 26 1HZ LYS 26 0.248 -6.097 8.087
186 HZ3 LYS 26 2HZ LYS 26 -1.264 -5.477 8.522
187 H TYR 27 H TYR 27 -0.823 -3.437 3.619
188 HA TYR 27 HA TYR 27 1.785 -2.465 4.127
189 HB2 TYR 27 1HB TYR 27 0.631 -4.370 2.109
190 HB3 TYR 27 2HB TYR 27 2.327 -3.906 2.046
191 HD1 TYR 27 HD1 TYR 27 3.427 -3.995 4.570
192 HD2 TYR 27 HD2 TYR 27 0.239 -6.403 3.106
193 HE1 TYR 27 HE1 TYR 27 3.962 -5.713 6.247
194 HE2 TYR 27 HE2 TYR 27 0.765 -8.127 4.779
195 HH TYR 27 HH TYR 27 2.768 -7.580 7.416
196 H LEU 28 H LEU 28 -0.578 -1.826 1.616
197 HA LEU 28 HA LEU 28 1.231 -0.361 -0.059
198 HB2 LEU 28 1HB LEU 28 -0.655 -1.450 -1.062
199 HB3 LEU 28 2HB LEU 28 -1.772 -0.579 -0.013
200 HG LEU 28 HG LEU 28 -1.133 1.526 -1.156
201 HD11 LEU 28 1HD1 LEU 28 0.258 1.591 -3.018
202 HD12 LEU 28 2HD1 LEU 28 0.192 -0.155 -3.251
203 HD13 LEU 28 3HD1 LEU 28 1.111 0.519 -1.906
204 HD21 LEU 28 3HD2 LEU 28 -3.133 0.513 -1.894
205 HD22 LEU 28 1HD2 LEU 28 -2.263 -0.744 -2.773
206 HD23 LEU 28 2HD2 LEU 28 -2.233 0.920 -3.355
207 H THR 29 H THR 29 -1.402 0.524 2.159
208 HA THR 29 HA THR 29 -1.498 3.228 1.880
209 HB THR 29 HB THR 29 -1.547 1.737 4.511
210 HG1 THR 29 HG1 THR 29 -3.818 2.619 3.090
211 HG21 THR 29 3HG2 THR 29 -3.219 3.834 4.834
212 HG22 THR 29 1HG2 THR 29 -2.003 4.560 3.783
213 HG23 THR 29 2HG2 THR 29 -1.525 3.849 5.325
214 H GLN 30 H GLN 30 0.612 1.605 4.261
215 HA GLN 30 HA GLN 30 2.060 3.882 4.985
216 HB2 GLN 30 1HB GLN 30 2.136 1.902 6.353
217 HB3 GLN 30 2HB GLN 30 2.837 0.964 5.040
218 HG2 GLN 30 1HG GLN 30 4.825 2.483 5.140
219 HG3 GLN 30 2HG GLN 30 4.132 3.180 6.603
220 HE21 GLN 30 1HE2 GLN 30 5.142 2.441 8.318
221 HE22 GLN 30 2HE2 GLN 30 5.655 0.813 8.580
222 H HIS 31 H HIS 31 2.800 1.385 2.569
223 HA HIS 31 HA HIS 31 5.287 2.213 1.743
224 HB2 HIS 31 1HB HIS 31 4.610 0.253 0.725
225 HB3 HIS 31 2HB HIS 31 3.005 0.875 0.354
226 HD1 HIS 31 HD1 HIS 31 6.267 0.271 -1.132
227 HD2 HIS 31 HD2 HIS 31 3.029 2.761 -1.890
228 HE1 HIS 31 HE1 HIS 31 6.570 1.065 -3.498
229 H GLU 32 H GLU 32 2.176 3.252 0.338
230 HA GLU 32 HA GLU 32 2.905 4.986 -1.571
231 HB2 GLU 32 1HB GLU 32 0.804 5.413 0.554
232 HB3 GLU 32 2HB GLU 32 0.966 6.444 -0.860
233 HG2 GLU 32 1HG GLU 32 0.615 4.471 -2.298
234 HG3 GLU 32 2HG GLU 32 0.355 3.498 -0.851
235 H ARG 33 H ARG 33 3.228 5.541 1.885
236 HA ARG 33 HA ARG 33 3.765 8.228 2.000
237 HB2 ARG 33 1HB ARG 33 5.147 6.015 3.527
238 HB3 ARG 33 2HB ARG 33 5.192 7.719 3.962
239 HG2 ARG 33 1HG ARG 33 2.761 7.695 4.271
240 HG3 ARG 33 2HG ARG 33 2.737 5.978 3.864
241 HD2 ARG 33 1HD ARG 33 2.687 6.323 6.283
242 HD3 ARG 33 2HD ARG 33 4.159 5.492 5.782
243 HE ARG 33 HE ARG 33 4.964 8.043 5.834
244 HH11 ARG 33 1HH1 ARG 33 3.170 6.138 8.131
245 HH12 ARG 33 2HH1 ARG 33 3.769 7.000 9.510
246 HH21 ARG 33 1HH2 ARG 33 5.759 9.184 7.642
247 HH22 ARG 33 2HH2 ARG 33 5.241 8.733 9.230
248 H ILE 34 H ILE 34 6.070 5.620 1.280
249 HA ILE 34 HA ILE 34 8.449 6.829 1.124
250 HB ILE 34 HB ILE 34 9.128 5.352 -0.600
251 HG12 ILE 34 1HG1 ILE 34 6.212 5.000 -1.327
252 HG13 ILE 34 2HG1 ILE 34 7.359 5.989 -2.225
253 HG21 ILE 34 1HG2 ILE 34 7.566 4.480 1.575
254 HG22 ILE 34 2HG2 ILE 34 7.153 3.451 0.205
255 HG23 ILE 34 3HG2 ILE 34 8.832 3.596 0.723
256 HD11 ILE 34 3HD1 ILE 34 8.307 4.214 -3.217
257 HD12 ILE 34 1HD1 ILE 34 8.166 3.198 -1.782
258 HD13 ILE 34 2HD1 ILE 34 6.769 3.442 -2.831
259 H HIS 35 H HIS 35 5.749 7.462 -0.998
260 HA HIS 35 HA HIS 35 7.316 9.109 -2.793
261 HB2 HIS 35 1HB HIS 35 4.311 8.795 -2.670
262 HB3 HIS 35 2HB HIS 35 5.255 9.442 -4.009
263 HD1 HIS 35 HD1 HIS 35 7.156 7.503 -4.857
264 HD2 HIS 35 HD2 HIS 35 3.586 6.247 -3.144
265 HE1 HIS 35 HE1 HIS 35 6.853 5.122 -5.604
266 H THR 36 H THR 36 4.324 9.804 -0.982
267 HA THR 36 HA THR 36 4.959 12.612 -0.893
268 HB THR 36 HB THR 36 2.632 11.907 -1.150
269 HG1 THR 36 HG1 THR 36 3.459 13.792 0.340
270 HG21 THR 36 3HG2 THR 36 1.600 10.404 0.159
271 HG22 THR 36 1HG2 THR 36 2.242 11.116 1.638
272 HG23 THR 36 2HG2 THR 36 3.219 9.978 0.711
273 H ARG 37 H ARG 37 6.968 11.198 0.371
274 HA ARG 37 HA ARG 37 6.570 11.109 3.204
275 HB2 ARG 37 1HB ARG 37 9.016 10.744 3.298
276 HB3 ARG 37 2HB ARG 37 8.211 9.653 2.179
277 HG2 ARG 37 1HG ARG 37 8.877 11.217 0.332
278 HG3 ARG 37 2HG ARG 37 9.867 12.072 1.517
279 HD2 ARG 37 1HD ARG 37 11.330 10.297 1.767
280 HD3 ARG 37 2HD ARG 37 10.154 9.116 1.191
281 HE ARG 37 HE ARG 37 10.824 9.539 -0.963
282 HH11 ARG 37 1HH1 ARG 37 12.087 12.000 1.151
283 HH12 ARG 37 2HH1 ARG 37 13.116 12.694 -0.057
284 HH21 ARG 37 1HH2 ARG 37 12.174 10.444 -2.563
285 HH22 ARG 37 2HH2 ARG 37 13.164 11.809 -2.170
286 H GLY 38 H GLY 38 8.090 13.381 0.951
287 HA2 GLY 38 1HA GLY 38 8.982 15.159 3.016
288 HA3 GLY 38 2HA GLY 38 8.963 15.491 1.291
289 H VAL 39 H VAL 39 8.223 17.617 1.732
290 HA VAL 39 HA VAL 39 5.495 17.825 2.794
291 HB VAL 39 HB VAL 39 5.907 20.247 2.920
292 HG11 VAL 39 1HG1 VAL 39 6.486 18.689 4.791
293 HG12 VAL 39 2HG1 VAL 39 8.157 18.725 4.224
294 HG13 VAL 39 3HG1 VAL 39 7.386 20.205 4.793
295 HG21 VAL 39 3HG2 VAL 39 7.440 21.104 1.545
296 HG22 VAL 39 1HG2 VAL 39 8.653 20.508 2.680
297 HG23 VAL 39 2HG2 VAL 39 8.194 19.531 1.285
298 H LYS 40 H LYS 40 4.140 19.573 1.706
299 HA LYS 40 HA LYS 40 3.223 18.896 -0.702
300 HB2 LYS 40 1HB LYS 40 2.247 20.701 0.636
301 HB3 LYS 40 2HB LYS 40 3.593 21.753 0.218
302 HG2 LYS 40 1HG LYS 40 2.065 22.486 -1.291
303 HG3 LYS 40 2HG LYS 40 2.803 21.194 -2.240
304 HD2 LYS 40 1HD LYS 40 1.000 19.669 -1.425
305 HD3 LYS 40 2HD LYS 40 0.229 21.067 -0.673
306 HE2 LYS 40 1HE LYS 40 0.853 20.807 -3.613
307 HE3 LYS 40 2HE LYS 40 -0.724 20.500 -2.886
308 HZ1 LYS 40 3HZ LYS 40 0.144 23.017 -2.039
309 HZ2 LYS 40 1HZ LYS 40 -1.165 22.648 -3.044
310 HZ3 LYS 40 2HZ LYS 40 0.358 22.947 -3.715
311 H SER 41 H SER 41 3.603 19.301 -2.873
312 HA SER 41 HA SER 41 6.342 19.585 -3.616
313 HB2 SER 41 1HB SER 41 3.776 19.281 -5.160
314 HB3 SER 41 2HB SER 41 5.304 19.587 -5.985
315 HG SER 41 HG SER 41 6.029 17.648 -5.409
316 H GLY 42 H GLY 42 6.901 21.670 -2.838
317 HA2 GLY 42 1HA GLY 42 6.730 23.721 -4.766
318 HA3 GLY 42 2HA GLY 42 5.585 24.054 -3.475
319 HA PRO 43 HA PRO 43 9.929 24.079 -1.363
320 HB2 PRO 43 1HB PRO 43 12.091 23.824 -2.986
321 HB3 PRO 43 2HB PRO 43 11.279 22.441 -2.243
322 HG2 PRO 43 1HG PRO 43 11.011 23.528 -5.019
323 HG3 PRO 43 2HG PRO 43 11.132 21.842 -4.485
324 HD2 PRO 43 1HD PRO 43 8.773 22.995 -5.143
325 HD3 PRO 43 2HD PRO 43 8.906 21.735 -3.899
326 H SER 44 H SER 44 9.733 26.222 -0.948
327 HA SER 44 HA SER 44 9.990 28.478 -1.118
328 HB2 SER 44 1HB SER 44 12.386 27.696 -1.266
329 HB3 SER 44 2HB SER 44 12.251 27.829 -3.019
330 HG SER 44 HG SER 44 11.625 29.995 -1.320
331 H SER 45 H SER 45 7.968 27.621 -2.671
332 HA SER 45 HA SER 45 6.820 27.890 -4.662
333 HB2 SER 45 1HB SER 45 6.346 30.236 -5.062
334 HB3 SER 45 2HB SER 45 6.475 29.967 -3.324
335 HG SER 45 HG SER 45 8.865 30.601 -4.476
336 H GLY 46 H GLY 46 9.282 26.858 -5.312
337 HA2 GLY 46 1HA GLY 46 9.879 28.314 -7.810
338 HA3 GLY 46 2HA GLY 46 11.167 27.654 -6.814
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -28.357 -15.900 -7.426
2 HA2 GLY 1 1HA GLY 1 -27.938 -13.076 -7.137
3 HA3 GLY 1 2HA GLY 1 -29.393 -13.445 -8.051
4 H SER 2 H SER 2 -27.858 -14.871 -5.166
5 HA SER 2 HA SER 2 -30.324 -14.307 -3.672
6 HB2 SER 2 1HB SER 2 -28.950 -16.958 -4.013
7 HB3 SER 2 2HB SER 2 -29.891 -16.619 -2.561
8 HG SER 2 HG SER 2 -30.873 -17.552 -4.697
9 H SER 3 H SER 3 -30.069 -14.131 -1.403
10 HA SER 3 HA SER 3 -28.058 -12.648 -0.426
11 HB2 SER 3 1HB SER 3 -30.134 -13.349 0.817
12 HB3 SER 3 2HB SER 3 -29.315 -14.861 1.209
13 HG SER 3 HG SER 3 -28.964 -12.341 2.253
14 H GLY 4 H GLY 4 -26.099 -12.949 0.678
15 HA2 GLY 4 1HA GLY 4 -24.605 -14.777 1.632
16 HA3 GLY 4 2HA GLY 4 -24.776 -15.510 0.044
17 H SER 5 H SER 5 -23.686 -14.634 -1.717
18 HA SER 5 HA SER 5 -22.024 -13.539 -2.822
19 HB2 SER 5 1HB SER 5 -23.336 -11.537 -1.703
20 HB3 SER 5 2HB SER 5 -21.873 -11.406 -0.728
21 HG SER 5 HG SER 5 -22.016 -10.195 -2.821
22 H SER 6 H SER 6 -21.310 -15.582 -1.094
23 HA SER 6 HA SER 6 -18.927 -14.643 0.323
24 HB2 SER 6 1HB SER 6 -20.602 -16.260 1.372
25 HB3 SER 6 2HB SER 6 -19.977 -17.473 0.255
26 HG SER 6 HG SER 6 -17.979 -17.304 1.209
27 H GLY 7 H GLY 7 -18.768 -14.430 -2.438
28 HA2 GLY 7 1HA GLY 7 -17.125 -16.724 -3.270
29 HA3 GLY 7 2HA GLY 7 -17.830 -15.530 -4.349
30 H GLN 8 H GLN 8 -15.693 -15.377 -5.286
31 HA GLN 8 HA GLN 8 -13.720 -13.987 -3.621
32 HB2 GLN 8 1HB GLN 8 -12.094 -14.543 -5.313
33 HB3 GLN 8 2HB GLN 8 -12.994 -15.994 -4.895
34 HG2 GLN 8 1HG GLN 8 -14.455 -15.444 -6.921
35 HG3 GLN 8 2HG GLN 8 -13.164 -14.336 -7.381
36 HE21 GLN 8 1HE2 GLN 8 -13.313 -15.911 -9.258
37 HE22 GLN 8 2HE2 GLN 8 -12.261 -17.280 -9.192
38 H LYS 9 H LYS 9 -12.691 -12.074 -4.378
39 HA LYS 9 HA LYS 9 -14.330 -10.541 -6.289
40 HB2 LYS 9 1HB LYS 9 -12.901 -9.666 -3.784
41 HB3 LYS 9 2HB LYS 9 -13.436 -8.520 -5.007
42 HG2 LYS 9 1HG LYS 9 -15.668 -8.876 -4.558
43 HG3 LYS 9 2HG LYS 9 -15.380 -10.471 -3.857
44 HD2 LYS 9 1HD LYS 9 -15.812 -9.212 -1.974
45 HD3 LYS 9 2HD LYS 9 -14.051 -9.121 -2.058
46 HE2 LYS 9 1HE LYS 9 -14.630 -6.914 -1.707
47 HE3 LYS 9 2HE LYS 9 -14.494 -6.980 -3.463
48 HZ1 LYS 9 3HZ LYS 9 -16.736 -6.306 -1.892
49 HZ2 LYS 9 1HZ LYS 9 -17.107 -7.663 -2.832
50 HZ3 LYS 9 2HZ LYS 9 -16.564 -6.243 -3.574
51 H GLU 10 H GLU 10 -11.084 -11.276 -5.161
52 HA GLU 10 HA GLU 10 -9.036 -11.049 -6.126
53 HB2 GLU 10 1HB GLU 10 -10.767 -10.889 -8.592
54 HB3 GLU 10 2HB GLU 10 -9.010 -10.896 -8.658
55 HG2 GLU 10 1HG GLU 10 -9.152 -13.070 -7.323
56 HG3 GLU 10 2HG GLU 10 -10.858 -13.076 -7.766
57 H LYS 11 H LYS 11 -10.017 -8.778 -4.930
58 HA LYS 11 HA LYS 11 -9.545 -6.547 -6.744
59 HB2 LYS 11 1HB LYS 11 -10.198 -5.136 -4.848
60 HB3 LYS 11 2HB LYS 11 -11.404 -6.376 -5.167
61 HG2 LYS 11 1HG LYS 11 -10.304 -7.729 -3.336
62 HG3 LYS 11 2HG LYS 11 -9.405 -6.266 -2.929
63 HD2 LYS 11 1HD LYS 11 -11.725 -5.135 -2.851
64 HD3 LYS 11 2HD LYS 11 -12.355 -6.782 -2.755
65 HE2 LYS 11 1HE LYS 11 -11.406 -7.164 -0.686
66 HE3 LYS 11 2HE LYS 11 -10.163 -5.935 -0.913
67 HZ1 LYS 11 3HZ LYS 11 -11.917 -4.240 -0.717
68 HZ2 LYS 11 1HZ LYS 11 -11.763 -5.176 0.684
69 HZ3 LYS 11 2HZ LYS 11 -13.045 -5.455 -0.382
70 H CYS 12 H CYS 12 -7.591 -5.716 -7.023
71 HA CYS 12 HA CYS 12 -5.586 -6.096 -4.899
72 HB2 CYS 12 1HB CYS 12 -5.283 -5.967 -7.898
73 HB3 CYS 12 2HB CYS 12 -3.917 -5.791 -6.803
74 HG CYS 12 HG CYS 12 -4.748 -8.391 -5.588
75 H PHE 13 H PHE 13 -4.346 -4.374 -4.245
76 HA PHE 13 HA PHE 13 -5.355 -1.743 -5.034
77 HB2 PHE 13 1HB PHE 13 -3.720 -2.657 -2.664
78 HB3 PHE 13 2HB PHE 13 -4.084 -0.967 -2.996
79 HD1 PHE 13 HD1 PHE 13 -6.435 -0.180 -2.929
80 HD2 PHE 13 HD2 PHE 13 -5.319 -4.093 -1.683
81 HE1 PHE 13 HE1 PHE 13 -8.572 -0.404 -1.731
82 HE2 PHE 13 HE2 PHE 13 -7.454 -4.324 -0.484
83 HZ PHE 13 HZ PHE 13 -9.085 -2.478 -0.507
84 H LYS 14 H LYS 14 -4.288 -0.795 -6.637
85 HA LYS 14 HA LYS 14 -1.394 -1.227 -6.883
86 HB2 LYS 14 1HB LYS 14 -3.050 -1.644 -8.819
87 HB3 LYS 14 2HB LYS 14 -3.134 0.108 -8.942
88 HG2 LYS 14 1HG LYS 14 -0.731 0.207 -9.334
89 HG3 LYS 14 2HG LYS 14 -0.630 -1.549 -9.187
90 HD2 LYS 14 1HD LYS 14 -0.766 -1.361 -11.460
91 HD3 LYS 14 2HD LYS 14 -2.485 -1.454 -11.070
92 HE2 LYS 14 1HE LYS 14 -1.137 1.209 -11.163
93 HE3 LYS 14 2HE LYS 14 -1.579 0.410 -12.672
94 HZ1 LYS 14 3HZ LYS 14 -3.394 1.756 -12.108
95 HZ2 LYS 14 1HZ LYS 14 -3.365 1.288 -10.482
96 HZ3 LYS 14 2HZ LYS 14 -3.871 0.194 -11.668
97 H CYS 15 H CYS 15 0.049 0.467 -6.949
98 HA CYS 15 HA CYS 15 -0.800 2.887 -5.638
99 HB2 CYS 15 1HB CYS 15 1.428 1.600 -5.323
100 HB3 CYS 15 2HB CYS 15 1.941 2.435 -6.786
101 H ASN 16 H ASN 16 -0.735 4.975 -6.458
102 HA ASN 16 HA ASN 16 -0.969 5.137 -9.367
103 HB2 ASN 16 1HB ASN 16 -2.149 7.180 -9.041
104 HB3 ASN 16 2HB ASN 16 -2.750 6.064 -7.818
105 HD21 ASN 16 1HD2 ASN 16 -2.628 6.623 -5.740
106 HD22 ASN 16 2HD2 ASN 16 -1.838 8.038 -5.139
107 H LYS 17 H LYS 17 1.609 4.973 -7.832
108 HA LYS 17 HA LYS 17 2.866 7.324 -9.064
109 HB2 LYS 17 1HB LYS 17 3.209 6.322 -6.252
110 HB3 LYS 17 2HB LYS 17 4.497 7.214 -7.052
111 HG2 LYS 17 1HG LYS 17 3.143 9.149 -7.264
112 HG3 LYS 17 2HG LYS 17 1.695 8.267 -6.774
113 HD2 LYS 17 1HD LYS 17 2.944 7.831 -4.575
114 HD3 LYS 17 2HD LYS 17 4.039 9.113 -5.099
115 HE2 LYS 17 1HE LYS 17 1.940 10.531 -5.422
116 HE3 LYS 17 2HE LYS 17 1.100 9.288 -4.495
117 HZ1 LYS 17 3HZ LYS 17 1.762 10.970 -2.989
118 HZ2 LYS 17 1HZ LYS 17 3.343 11.003 -3.590
119 HZ3 LYS 17 2HZ LYS 17 2.797 9.659 -2.721
120 H CYS 18 H CYS 18 3.655 4.268 -7.397
121 HA CYS 18 HA CYS 18 5.942 3.886 -9.151
122 HB2 CYS 18 1HB CYS 18 6.328 1.851 -7.729
123 HB3 CYS 18 2HB CYS 18 6.326 3.372 -6.841
124 H GLU 19 H GLU 19 2.698 2.727 -8.738
125 HA GLU 19 HA GLU 19 1.384 1.480 -10.132
126 HB2 GLU 19 1HB GLU 19 3.770 0.966 -11.893
127 HB3 GLU 19 2HB GLU 19 2.068 0.963 -12.334
128 HG2 GLU 19 1HG GLU 19 3.386 3.462 -11.356
129 HG3 GLU 19 2HG GLU 19 3.545 2.951 -13.036
130 H LYS 20 H LYS 20 2.678 0.380 -7.891
131 HA LYS 20 HA LYS 20 3.380 -2.338 -8.757
132 HB2 LYS 20 1HB LYS 20 4.073 -0.668 -6.399
133 HB3 LYS 20 2HB LYS 20 3.912 -2.399 -6.131
134 HG2 LYS 20 1HG LYS 20 6.121 -2.314 -6.633
135 HG3 LYS 20 2HG LYS 20 5.476 -2.502 -8.265
136 HD2 LYS 20 1HD LYS 20 5.478 0.021 -8.421
137 HD3 LYS 20 2HD LYS 20 6.403 0.027 -6.917
138 HE2 LYS 20 1HE LYS 20 7.902 -1.690 -8.263
139 HE3 LYS 20 2HE LYS 20 7.200 -0.850 -9.645
140 HZ1 LYS 20 3HZ LYS 20 8.675 0.435 -7.410
141 HZ2 LYS 20 1HZ LYS 20 8.005 1.239 -8.738
142 HZ3 LYS 20 2HZ LYS 20 9.285 0.157 -8.963
143 H THR 21 H THR 21 2.232 -4.104 -8.099
144 HA THR 21 HA THR 21 -0.398 -3.557 -6.945
145 HB THR 21 HB THR 21 -0.868 -5.957 -7.607
146 HG1 THR 21 HG1 THR 21 0.620 -7.024 -8.809
147 HG21 THR 21 3HG2 THR 21 -1.294 -5.411 -9.883
148 HG22 THR 21 1HG2 THR 21 0.008 -4.223 -9.913
149 HG23 THR 21 2HG2 THR 21 -1.450 -3.910 -8.970
150 H PHE 22 H PHE 22 -0.904 -4.068 -4.918
151 HA PHE 22 HA PHE 22 0.922 -5.843 -3.436
152 HB2 PHE 22 1HB PHE 22 -0.846 -3.650 -2.332
153 HB3 PHE 22 2HB PHE 22 0.290 -4.633 -1.414
154 HD1 PHE 22 HD2 PHE 22 -0.039 -1.951 -3.899
155 HD2 PHE 22 HD1 PHE 22 2.633 -4.177 -1.445
156 HE1 PHE 22 HE2 PHE 22 1.735 -0.304 -4.341
157 HE2 PHE 22 HE1 PHE 22 4.410 -2.533 -1.883
158 HZ PHE 22 HZ PHE 22 3.963 -0.594 -3.333
159 H SER 23 H SER 23 -0.354 -6.631 -1.325
160 HA SER 23 HA SER 23 -2.704 -8.047 -2.368
161 HB2 SER 23 1HB SER 23 -1.070 -9.593 -1.611
162 HB3 SER 23 2HB SER 23 -0.767 -8.671 -0.139
163 HG SER 23 HG SER 23 -3.375 -9.438 -0.405
164 H CYS 24 H CYS 24 -1.582 -6.631 0.710
165 HA CYS 24 HA CYS 24 -4.388 -6.138 1.424
166 HB2 CYS 24 1HB CYS 24 -2.865 -7.451 2.980
167 HB3 CYS 24 2HB CYS 24 -2.000 -5.945 3.259
168 HG CYS 24 HG CYS 24 -5.355 -6.059 3.794
169 H SER 25 H SER 25 -4.930 -4.102 2.460
170 HA SER 25 HA SER 25 -3.911 -1.879 1.010
171 HB2 SER 25 1HB SER 25 -6.260 -2.021 1.770
172 HB3 SER 25 2HB SER 25 -5.715 -1.904 3.443
173 HG SER 25 HG SER 25 -4.992 0.066 1.567
174 H LYS 26 H LYS 26 -3.748 -2.781 4.450
175 HA LYS 26 HA LYS 26 -2.392 -0.736 5.561
176 HB2 LYS 26 1HB LYS 26 -2.983 -2.684 6.855
177 HB3 LYS 26 2HB LYS 26 -1.858 -3.684 5.946
178 HG2 LYS 26 1HG LYS 26 -0.768 -1.326 7.378
179 HG3 LYS 26 2HG LYS 26 -1.270 -2.722 8.334
180 HD2 LYS 26 1HD LYS 26 0.262 -4.146 7.242
181 HD3 LYS 26 2HD LYS 26 0.548 -2.976 5.952
182 HE2 LYS 26 1HE LYS 26 2.441 -2.971 7.426
183 HE3 LYS 26 2HE LYS 26 1.563 -1.456 7.634
184 HZ1 LYS 26 3HZ LYS 26 2.348 -2.798 9.694
185 HZ2 LYS 26 1HZ LYS 26 0.961 -3.723 9.405
186 HZ3 LYS 26 2HZ LYS 26 0.824 -2.063 9.703
187 H TYR 27 H TYR 27 -0.830 -3.404 3.791
188 HA TYR 27 HA TYR 27 1.796 -2.513 3.987
189 HB2 TYR 27 1HB TYR 27 0.491 -4.029 1.717
190 HB3 TYR 27 2HB TYR 27 2.227 -3.883 1.971
191 HD1 TYR 27 HD1 TYR 27 2.696 -4.393 4.717
192 HD2 TYR 27 HD2 TYR 27 -0.226 -6.167 2.184
193 HE1 TYR 27 HE1 TYR 27 2.656 -6.381 6.166
194 HE2 TYR 27 HE2 TYR 27 -0.276 -8.159 3.626
195 HH TYR 27 HH TYR 27 1.919 -8.487 6.382
196 H LEU 28 H LEU 28 -0.696 -1.708 1.612
197 HA LEU 28 HA LEU 28 1.000 -0.116 -0.027
198 HB2 LEU 28 1HB LEU 28 -1.015 -1.078 -0.929
199 HB3 LEU 28 2HB LEU 28 -1.999 -0.216 0.252
200 HG LEU 28 HG LEU 28 -1.236 1.923 -0.836
201 HD11 LEU 28 1HD1 LEU 28 0.615 1.572 -2.098
202 HD12 LEU 28 2HD1 LEU 28 -0.603 1.336 -3.352
203 HD13 LEU 28 3HD1 LEU 28 0.130 -0.060 -2.560
204 HD21 LEU 28 3HD2 LEU 28 -3.253 0.118 -1.539
205 HD22 LEU 28 1HD2 LEU 28 -2.566 0.681 -3.063
206 HD23 LEU 28 2HD2 LEU 28 -3.188 1.846 -1.893
207 H THR 29 H THR 29 -1.727 0.892 2.043
208 HA THR 29 HA THR 29 -1.552 3.545 2.070
209 HB THR 29 HB THR 29 -1.722 1.911 4.609
210 HG1 THR 29 HG1 THR 29 -3.801 2.890 2.920
211 HG21 THR 29 3HG2 THR 29 -1.353 4.512 4.639
212 HG22 THR 29 1HG2 THR 29 -2.545 3.765 5.703
213 HG23 THR 29 2HG2 THR 29 -3.063 4.548 4.210
214 H GLN 30 H GLN 30 0.399 1.636 4.373
215 HA GLN 30 HA GLN 30 1.998 3.765 5.231
216 HB2 GLN 30 1HB GLN 30 1.764 1.540 6.361
217 HB3 GLN 30 2HB GLN 30 2.804 0.856 5.120
218 HG2 GLN 30 1HG GLN 30 3.682 3.165 6.816
219 HG3 GLN 30 2HG GLN 30 3.863 1.494 7.347
220 HE21 GLN 30 1HE2 GLN 30 5.772 3.698 6.527
221 HE22 GLN 30 2HE2 GLN 30 6.824 2.937 5.388
222 H HIS 31 H HIS 31 2.483 1.410 2.635
223 HA HIS 31 HA HIS 31 5.086 2.047 1.915
224 HB2 HIS 31 1HB HIS 31 4.333 0.203 0.773
225 HB3 HIS 31 2HB HIS 31 2.740 0.896 0.487
226 HD1 HIS 31 HD1 HIS 31 6.025 0.401 -1.071
227 HD2 HIS 31 HD2 HIS 31 2.667 2.760 -1.717
228 HE1 HIS 31 HE1 HIS 31 6.259 1.275 -3.417
229 H GLU 32 H GLU 32 2.079 3.369 0.520
230 HA GLU 32 HA GLU 32 2.905 5.109 -1.317
231 HB2 GLU 32 1HB GLU 32 0.943 5.699 0.902
232 HB3 GLU 32 2HB GLU 32 1.143 6.717 -0.517
233 HG2 GLU 32 1HG GLU 32 0.590 3.821 -0.902
234 HG3 GLU 32 2HG GLU 32 -0.726 4.884 -0.406
235 H ARG 33 H ARG 33 3.413 5.499 2.137
236 HA ARG 33 HA ARG 33 4.222 8.119 2.312
237 HB2 ARG 33 1HB ARG 33 5.390 5.716 3.726
238 HB3 ARG 33 2HB ARG 33 5.672 7.386 4.198
239 HG2 ARG 33 1HG ARG 33 3.198 7.625 4.498
240 HG3 ARG 33 2HG ARG 33 3.070 5.883 4.249
241 HD2 ARG 33 1HD ARG 33 4.834 5.719 6.128
242 HD3 ARG 33 2HD ARG 33 4.374 7.381 6.493
243 HE ARG 33 HE ARG 33 2.183 5.500 6.314
244 HH11 ARG 33 1HH1 ARG 33 4.496 7.096 8.368
245 HH12 ARG 33 2HH1 ARG 33 3.573 6.856 9.814
246 HH21 ARG 33 1HH2 ARG 33 0.958 5.178 8.211
247 HH22 ARG 33 2HH2 ARG 33 1.562 5.764 9.724
248 H ILE 34 H ILE 34 6.263 5.314 1.514
249 HA ILE 34 HA ILE 34 8.730 6.304 1.283
250 HB ILE 34 HB ILE 34 9.220 4.791 -0.479
251 HG12 ILE 34 1HG1 ILE 34 6.271 4.557 -1.086
252 HG13 ILE 34 2HG1 ILE 34 7.348 5.639 -1.963
253 HG21 ILE 34 1HG2 ILE 34 7.148 3.040 0.385
254 HG22 ILE 34 2HG2 ILE 34 8.841 3.077 0.875
255 HG23 ILE 34 3HG2 ILE 34 7.650 4.040 1.748
256 HD11 ILE 34 3HD1 ILE 34 8.721 3.657 -2.574
257 HD12 ILE 34 1HD1 ILE 34 7.483 2.639 -1.840
258 HD13 ILE 34 2HD1 ILE 34 7.086 3.645 -3.234
259 H HIS 35 H HIS 35 6.040 7.184 -0.767
260 HA HIS 35 HA HIS 35 7.710 8.720 -2.574
261 HB2 HIS 35 1HB HIS 35 4.692 8.580 -2.428
262 HB3 HIS 35 2HB HIS 35 5.651 9.225 -3.757
263 HD1 HIS 35 HD1 HIS 35 7.532 7.155 -4.539
264 HD2 HIS 35 HD2 HIS 35 3.754 6.158 -3.126
265 HE1 HIS 35 HE1 HIS 35 7.084 4.835 -5.398
266 H THR 36 H THR 36 4.926 9.489 -0.476
267 HA THR 36 HA THR 36 4.900 12.192 -0.580
268 HB THR 36 HB THR 36 4.095 12.233 1.752
269 HG1 THR 36 HG1 THR 36 5.201 10.759 2.885
270 HG21 THR 36 3HG2 THR 36 2.707 11.399 -0.240
271 HG22 THR 36 1HG2 THR 36 2.122 11.019 1.379
272 HG23 THR 36 2HG2 THR 36 2.955 9.787 0.430
273 H ARG 37 H ARG 37 7.138 10.223 1.324
274 HA ARG 37 HA ARG 37 8.754 12.645 1.773
275 HB2 ARG 37 1HB ARG 37 7.643 11.688 3.838
276 HB3 ARG 37 2HB ARG 37 8.654 10.265 3.626
277 HG2 ARG 37 1HG ARG 37 10.576 11.371 4.213
278 HG3 ARG 37 2HG ARG 37 9.940 12.949 3.742
279 HD2 ARG 37 1HD ARG 37 9.949 13.049 6.064
280 HD3 ARG 37 2HD ARG 37 8.282 12.616 5.684
281 HE ARG 37 HE ARG 37 8.601 10.662 6.808
282 HH11 ARG 37 1HH1 ARG 37 11.710 11.916 5.869
283 HH12 ARG 37 2HH1 ARG 37 12.603 10.691 6.706
284 HH21 ARG 37 1HH2 ARG 37 9.766 9.043 7.915
285 HH22 ARG 37 2HH2 ARG 37 11.496 9.056 7.869
286 H GLY 38 H GLY 38 9.096 11.159 -0.513
287 HA2 GLY 38 1HA GLY 38 11.075 9.121 -0.215
288 HA3 GLY 38 2HA GLY 38 10.619 9.916 -1.715
289 H VAL 39 H VAL 39 13.248 9.215 -0.254
290 HA VAL 39 HA VAL 39 14.692 11.355 0.581
291 HB VAL 39 HB VAL 39 15.691 9.276 -1.372
292 HG11 VAL 39 1HG1 VAL 39 17.384 10.633 0.679
293 HG12 VAL 39 2HG1 VAL 39 17.853 9.873 -0.843
294 HG13 VAL 39 3HG1 VAL 39 17.050 11.444 -0.851
295 HG21 VAL 39 3HG2 VAL 39 14.694 8.949 1.227
296 HG22 VAL 39 1HG2 VAL 39 15.595 7.777 0.266
297 HG23 VAL 39 2HG2 VAL 39 16.450 8.856 1.368
298 H LYS 40 H LYS 40 15.699 13.114 -0.279
299 HA LYS 40 HA LYS 40 15.200 13.656 -3.134
300 HB2 LYS 40 1HB LYS 40 15.112 15.494 -0.749
301 HB3 LYS 40 2HB LYS 40 15.288 16.109 -2.387
302 HG2 LYS 40 1HG LYS 40 13.151 15.552 -2.976
303 HG3 LYS 40 2HG LYS 40 13.056 14.230 -1.811
304 HD2 LYS 40 1HD LYS 40 13.220 16.159 -0.053
305 HD3 LYS 40 2HD LYS 40 12.669 17.164 -1.395
306 HE2 LYS 40 1HE LYS 40 10.845 15.323 -1.660
307 HE3 LYS 40 2HE LYS 40 11.264 14.926 0.006
308 HZ1 LYS 40 3HZ LYS 40 9.429 16.483 -0.080
309 HZ2 LYS 40 1HZ LYS 40 10.358 17.581 -0.970
310 HZ3 LYS 40 2HZ LYS 40 10.779 17.217 0.627
311 H SER 41 H SER 41 16.746 15.243 -4.094
312 HA SER 41 HA SER 41 19.450 14.822 -3.000
313 HB2 SER 41 1HB SER 41 18.438 14.824 -5.832
314 HB3 SER 41 2HB SER 41 20.130 15.173 -5.481
315 HG SER 41 HG SER 41 19.104 12.946 -4.215
316 H GLY 42 H GLY 42 17.396 17.053 -4.846
317 HA2 GLY 42 1HA GLY 42 17.771 19.376 -3.624
318 HA3 GLY 42 2HA GLY 42 19.316 19.213 -4.444
319 HA PRO 43 HA PRO 43 15.689 20.715 -7.263
320 HB2 PRO 43 1HB PRO 43 15.604 23.375 -6.726
321 HB3 PRO 43 2HB PRO 43 14.581 22.195 -5.899
322 HG2 PRO 43 1HG PRO 43 17.133 23.463 -4.982
323 HG3 PRO 43 2HG PRO 43 15.641 23.165 -4.071
324 HD2 PRO 43 1HD PRO 43 17.817 21.566 -3.865
325 HD3 PRO 43 2HD PRO 43 16.160 20.950 -3.700
326 H SER 44 H SER 44 18.889 21.527 -6.476
327 HA SER 44 HA SER 44 19.285 23.054 -8.946
328 HB2 SER 44 1HB SER 44 21.504 23.593 -8.039
329 HB3 SER 44 2HB SER 44 20.237 24.006 -6.884
330 HG SER 44 HG SER 44 20.793 21.628 -6.210
331 H SER 45 H SER 45 19.116 21.357 -10.435
332 HA SER 45 HA SER 45 21.165 19.258 -10.257
333 HB2 SER 45 1HB SER 45 18.472 19.418 -11.526
334 HB3 SER 45 2HB SER 45 19.686 18.404 -12.305
335 HG SER 45 HG SER 45 19.387 18.144 -9.549
336 H GLY 46 H GLY 46 22.975 20.245 -11.063
337 HA2 GLY 46 1HA GLY 46 24.373 21.257 -12.591
338 HA3 GLY 46 2HA GLY 46 23.518 20.240 -13.742
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -12.588 -2.881 -25.027
2 HA2 GLY 1 1HA GLY 1 -13.830 -5.237 -24.355
3 HA3 GLY 1 2HA GLY 1 -12.363 -5.730 -25.187
4 H SER 2 H SER 2 -10.324 -4.625 -24.360
5 HA SER 2 HA SER 2 -10.233 -5.029 -21.501
6 HB2 SER 2 1HB SER 2 -8.119 -4.453 -23.579
7 HB3 SER 2 2HB SER 2 -7.753 -4.551 -21.857
8 HG SER 2 HG SER 2 -8.421 -6.678 -21.856
9 H SER 3 H SER 3 -11.810 -2.836 -22.129
10 HA SER 3 HA SER 3 -10.274 -0.414 -21.840
11 HB2 SER 3 1HB SER 3 -12.517 -0.671 -23.073
12 HB3 SER 3 2HB SER 3 -13.257 -0.649 -21.472
13 HG SER 3 HG SER 3 -12.872 1.430 -22.762
14 H GLY 4 H GLY 4 -9.209 -0.348 -19.917
15 HA2 GLY 4 1HA GLY 4 -9.521 0.643 -17.695
16 HA3 GLY 4 2HA GLY 4 -10.903 -0.423 -17.497
17 H SER 5 H SER 5 -9.923 -2.837 -18.313
18 HA SER 5 HA SER 5 -8.822 -4.660 -17.513
19 HB2 SER 5 1HB SER 5 -6.914 -3.417 -18.595
20 HB3 SER 5 2HB SER 5 -6.522 -2.761 -17.005
21 HG SER 5 HG SER 5 -6.800 -5.536 -17.327
22 H SER 6 H SER 6 -10.496 -3.417 -15.686
23 HA SER 6 HA SER 6 -9.369 -4.370 -13.211
24 HB2 SER 6 1HB SER 6 -9.544 -2.339 -11.952
25 HB3 SER 6 2HB SER 6 -8.588 -1.973 -13.388
26 HG SER 6 HG SER 6 -10.178 -0.385 -13.032
27 H GLY 7 H GLY 7 -10.948 -5.609 -12.455
28 HA2 GLY 7 1HA GLY 7 -13.720 -4.603 -12.658
29 HA3 GLY 7 2HA GLY 7 -13.308 -6.297 -12.879
30 H GLN 8 H GLN 8 -15.217 -5.577 -11.052
31 HA GLN 8 HA GLN 8 -14.199 -5.205 -8.431
32 HB2 GLN 8 1HB GLN 8 -16.451 -5.787 -7.681
33 HB3 GLN 8 2HB GLN 8 -16.513 -4.657 -9.027
34 HG2 GLN 8 1HG GLN 8 -18.116 -6.111 -9.693
35 HG3 GLN 8 2HG GLN 8 -16.712 -6.885 -10.427
36 HE21 GLN 8 1HE2 GLN 8 -18.169 -6.817 -7.187
37 HE22 GLN 8 2HE2 GLN 8 -18.204 -8.532 -6.982
38 H LYS 9 H LYS 9 -15.181 -8.069 -10.267
39 HA LYS 9 HA LYS 9 -15.205 -10.090 -8.532
40 HB2 LYS 9 1HB LYS 9 -13.863 -9.891 -11.205
41 HB3 LYS 9 2HB LYS 9 -13.747 -11.382 -10.279
42 HG2 LYS 9 1HG LYS 9 -16.383 -10.091 -10.907
43 HG3 LYS 9 2HG LYS 9 -15.599 -11.231 -12.004
44 HD2 LYS 9 1HD LYS 9 -15.788 -13.000 -10.486
45 HD3 LYS 9 2HD LYS 9 -16.065 -11.917 -9.120
46 HE2 LYS 9 1HE LYS 9 -18.146 -12.950 -9.667
47 HE3 LYS 9 2HE LYS 9 -18.231 -11.265 -10.178
48 HZ1 LYS 9 3HZ LYS 9 -17.611 -13.544 -11.977
49 HZ2 LYS 9 1HZ LYS 9 -17.821 -11.929 -12.435
50 HZ3 LYS 9 2HZ LYS 9 -19.131 -12.815 -11.835
51 H GLU 10 H GLU 10 -12.238 -8.473 -9.602
52 HA GLU 10 HA GLU 10 -10.802 -9.835 -7.418
53 HB2 GLU 10 1HB GLU 10 -9.658 -8.680 -9.968
54 HB3 GLU 10 2HB GLU 10 -8.747 -9.499 -8.706
55 HG2 GLU 10 1HG GLU 10 -10.837 -10.708 -10.499
56 HG3 GLU 10 2HG GLU 10 -9.099 -11.001 -10.540
57 H LYS 11 H LYS 11 -9.997 -8.623 -5.830
58 HA LYS 11 HA LYS 11 -9.935 -5.702 -6.215
59 HB2 LYS 11 1HB LYS 11 -11.606 -6.630 -4.555
60 HB3 LYS 11 2HB LYS 11 -10.236 -7.149 -3.582
61 HG2 LYS 11 1HG LYS 11 -9.482 -4.766 -3.524
62 HG3 LYS 11 2HG LYS 11 -11.004 -4.332 -4.305
63 HD2 LYS 11 1HD LYS 11 -11.119 -6.015 -1.856
64 HD3 LYS 11 2HD LYS 11 -10.725 -4.304 -1.669
65 HE2 LYS 11 1HE LYS 11 -13.009 -4.224 -1.512
66 HE3 LYS 11 2HE LYS 11 -12.801 -3.985 -3.246
67 HZ1 LYS 11 3HZ LYS 11 -14.517 -5.617 -2.781
68 HZ2 LYS 11 1HZ LYS 11 -13.417 -6.571 -1.920
69 HZ3 LYS 11 2HZ LYS 11 -13.217 -6.342 -3.584
70 H CYS 12 H CYS 12 -7.865 -5.221 -6.672
71 HA CYS 12 HA CYS 12 -5.816 -6.156 -4.776
72 HB2 CYS 12 1HB CYS 12 -5.730 -7.186 -7.127
73 HB3 CYS 12 2HB CYS 12 -5.237 -5.589 -7.677
74 HG CYS 12 HG CYS 12 -3.528 -7.344 -5.291
75 H PHE 13 H PHE 13 -4.839 -4.563 -3.728
76 HA PHE 13 HA PHE 13 -5.347 -1.826 -4.404
77 HB2 PHE 13 1HB PHE 13 -3.363 -2.818 -2.359
78 HB3 PHE 13 2HB PHE 13 -4.213 -1.276 -2.384
79 HD1 PHE 13 HD1 PHE 13 -6.908 -1.651 -2.519
80 HD2 PHE 13 HD2 PHE 13 -4.069 -4.296 -0.769
81 HE1 PHE 13 HE1 PHE 13 -8.675 -2.600 -1.094
82 HE2 PHE 13 HE2 PHE 13 -5.832 -5.250 0.657
83 HZ PHE 13 HZ PHE 13 -8.139 -4.403 0.496
84 H LYS 14 H LYS 14 -4.370 -1.071 -6.189
85 HA LYS 14 HA LYS 14 -1.505 -1.614 -6.559
86 HB2 LYS 14 1HB LYS 14 -3.365 -2.033 -8.373
87 HB3 LYS 14 2HB LYS 14 -3.201 -0.304 -8.647
88 HG2 LYS 14 1HG LYS 14 -1.038 -0.496 -9.429
89 HG3 LYS 14 2HG LYS 14 -0.774 -2.043 -8.621
90 HD2 LYS 14 1HD LYS 14 -2.075 -3.208 -10.208
91 HD3 LYS 14 2HD LYS 14 -2.758 -1.715 -10.858
92 HE2 LYS 14 1HE LYS 14 -0.771 -1.147 -11.950
93 HE3 LYS 14 2HE LYS 14 0.190 -2.256 -10.973
94 HZ1 LYS 14 3HZ LYS 14 -1.853 -3.104 -12.954
95 HZ2 LYS 14 1HZ LYS 14 -0.800 -4.111 -12.094
96 HZ3 LYS 14 2HZ LYS 14 -0.190 -3.047 -13.258
97 H CYS 15 H CYS 15 -0.091 -0.063 -6.121
98 HA CYS 15 HA CYS 15 -0.729 2.414 -5.064
99 HB2 CYS 15 1HB CYS 15 1.533 1.099 -5.146
100 HB3 CYS 15 2HB CYS 15 1.818 2.045 -6.603
101 H ASN 16 H ASN 16 0.169 4.542 -6.081
102 HA ASN 16 HA ASN 16 -1.025 4.772 -8.762
103 HB2 ASN 16 1HB ASN 16 -0.985 7.320 -7.964
104 HB3 ASN 16 2HB ASN 16 -2.304 6.231 -7.547
105 HD21 ASN 16 1HD2 ASN 16 -1.748 4.886 -5.494
106 HD22 ASN 16 2HD2 ASN 16 -1.171 5.818 -4.159
107 H LYS 17 H LYS 17 1.589 6.076 -6.731
108 HA LYS 17 HA LYS 17 2.931 7.456 -8.778
109 HB2 LYS 17 1HB LYS 17 3.855 6.327 -6.141
110 HB3 LYS 17 2HB LYS 17 4.938 7.207 -7.211
111 HG2 LYS 17 1HG LYS 17 2.344 8.413 -6.338
112 HG3 LYS 17 2HG LYS 17 3.769 8.472 -5.299
113 HD2 LYS 17 1HD LYS 17 4.061 9.302 -8.141
114 HD3 LYS 17 2HD LYS 17 3.234 10.398 -7.031
115 HE2 LYS 17 1HE LYS 17 5.137 10.547 -5.624
116 HE3 LYS 17 2HE LYS 17 5.931 9.201 -6.440
117 HZ1 LYS 17 3HZ LYS 17 6.978 11.022 -7.344
118 HZ2 LYS 17 1HZ LYS 17 5.580 11.975 -7.357
119 HZ3 LYS 17 2HZ LYS 17 5.769 10.736 -8.493
120 H CYS 18 H CYS 18 4.057 4.461 -7.201
121 HA CYS 18 HA CYS 18 5.699 3.811 -9.476
122 HB2 CYS 18 1HB CYS 18 6.325 1.818 -8.162
123 HB3 CYS 18 2HB CYS 18 6.495 3.301 -7.229
124 H GLU 19 H GLU 19 2.621 2.786 -8.155
125 HA GLU 19 HA GLU 19 0.909 1.610 -9.103
126 HB2 GLU 19 1HB GLU 19 2.593 1.257 -11.576
127 HB3 GLU 19 2HB GLU 19 0.841 1.224 -11.443
128 HG2 GLU 19 1HG GLU 19 0.755 3.576 -11.050
129 HG3 GLU 19 2HG GLU 19 2.511 3.670 -10.924
130 H LYS 20 H LYS 20 2.729 0.337 -7.451
131 HA LYS 20 HA LYS 20 3.234 -2.267 -8.697
132 HB2 LYS 20 1HB LYS 20 4.325 -0.825 -6.331
133 HB3 LYS 20 2HB LYS 20 4.290 -2.582 -6.269
134 HG2 LYS 20 1HG LYS 20 5.699 -2.772 -8.158
135 HG3 LYS 20 2HG LYS 20 5.528 -1.058 -8.543
136 HD2 LYS 20 1HD LYS 20 6.715 -0.469 -6.494
137 HD3 LYS 20 2HD LYS 20 6.856 -2.178 -6.073
138 HE2 LYS 20 1HE LYS 20 8.926 -1.325 -7.053
139 HE3 LYS 20 2HE LYS 20 8.199 -2.570 -8.068
140 HZ1 LYS 20 3HZ LYS 20 9.063 -0.327 -9.076
141 HZ2 LYS 20 1HZ LYS 20 7.532 0.228 -8.618
142 HZ3 LYS 20 2HZ LYS 20 7.675 -1.076 -9.686
143 H THR 21 H THR 21 2.151 -4.074 -8.147
144 HA THR 21 HA THR 21 -0.243 -3.791 -6.564
145 HB THR 21 HB THR 21 -0.546 -6.247 -7.131
146 HG1 THR 21 HG1 THR 21 1.503 -5.852 -9.035
147 HG21 THR 21 3HG2 THR 21 -1.261 -5.799 -9.366
148 HG22 THR 21 1HG2 THR 21 -0.128 -4.457 -9.523
149 HG23 THR 21 2HG2 THR 21 -1.507 -4.323 -8.432
150 H PHE 22 H PHE 22 -0.530 -4.369 -4.505
151 HA PHE 22 HA PHE 22 1.629 -5.879 -3.186
152 HB2 PHE 22 1HB PHE 22 -0.202 -3.726 -2.126
153 HB3 PHE 22 2HB PHE 22 0.773 -4.750 -1.077
154 HD1 PHE 22 HD2 PHE 22 0.901 -2.185 -3.720
155 HD2 PHE 22 HD1 PHE 22 3.091 -4.368 -0.795
156 HE1 PHE 22 HE2 PHE 22 2.808 -0.658 -4.012
157 HE2 PHE 22 HE1 PHE 22 5.001 -2.844 -1.081
158 HZ PHE 22 HZ PHE 22 4.861 -0.986 -2.693
159 H SER 23 H SER 23 0.700 -6.840 -1.002
160 HA SER 23 HA SER 23 -1.344 -8.714 -1.824
161 HB2 SER 23 1HB SER 23 0.686 -9.448 -0.582
162 HB3 SER 23 2HB SER 23 0.127 -8.530 0.816
163 HG SER 23 HG SER 23 -0.550 -10.630 1.074
164 H CYS 24 H CYS 24 -0.902 -6.519 0.952
165 HA CYS 24 HA CYS 24 -3.837 -6.386 1.182
166 HB2 CYS 24 1HB CYS 24 -1.700 -6.584 3.260
167 HB3 CYS 24 2HB CYS 24 -3.158 -5.678 3.641
168 HG CYS 24 HG CYS 24 -4.732 -7.692 4.040
169 H SER 25 H SER 25 -4.400 -4.321 2.595
170 HA SER 25 HA SER 25 -3.488 -2.080 1.023
171 HB2 SER 25 1HB SER 25 -5.156 -0.802 2.398
172 HB3 SER 25 2HB SER 25 -5.840 -2.182 1.541
173 HG SER 25 HG SER 25 -6.597 -2.508 3.518
174 H LYS 26 H LYS 26 -3.517 -2.895 4.490
175 HA LYS 26 HA LYS 26 -2.302 -0.759 5.612
176 HB2 LYS 26 1HB LYS 26 -1.306 -2.279 7.267
177 HB3 LYS 26 2HB LYS 26 -2.968 -2.721 6.898
178 HG2 LYS 26 1HG LYS 26 -2.234 -4.538 5.508
179 HG3 LYS 26 2HG LYS 26 -0.549 -4.045 5.692
180 HD2 LYS 26 1HD LYS 26 -0.798 -5.811 7.206
181 HD3 LYS 26 2HD LYS 26 -0.932 -4.364 8.208
182 HE2 LYS 26 1HE LYS 26 -3.372 -4.539 8.125
183 HE3 LYS 26 2HE LYS 26 -3.236 -5.984 7.124
184 HZ1 LYS 26 3HZ LYS 26 -1.697 -6.226 9.503
185 HZ2 LYS 26 1HZ LYS 26 -2.924 -7.231 8.914
186 HZ3 LYS 26 2HZ LYS 26 -3.314 -5.888 9.866
187 H TYR 27 H TYR 27 -0.668 -3.338 3.820
188 HA TYR 27 HA TYR 27 1.959 -2.347 4.239
189 HB2 TYR 27 1HB TYR 27 0.724 -4.334 2.365
190 HB3 TYR 27 2HB TYR 27 2.383 -3.807 2.105
191 HD1 TYR 27 HD1 TYR 27 4.043 -4.107 4.018
192 HD2 TYR 27 HD2 TYR 27 0.232 -5.995 3.944
193 HE1 TYR 27 HE1 TYR 27 4.828 -5.741 5.680
194 HE2 TYR 27 HE2 TYR 27 1.005 -7.634 5.607
195 HH TYR 27 HH TYR 27 2.751 -7.776 7.378
196 H LEU 28 H LEU 28 -0.475 -1.834 1.750
197 HA LEU 28 HA LEU 28 1.254 -0.354 0.014
198 HB2 LEU 28 1HB LEU 28 -0.633 -1.500 -0.918
199 HB3 LEU 28 2HB LEU 28 -1.742 -0.633 0.142
200 HG LEU 28 HG LEU 28 -1.251 1.449 -1.056
201 HD11 LEU 28 1HD1 LEU 28 0.901 -0.142 -2.133
202 HD12 LEU 28 2HD1 LEU 28 0.661 1.604 -2.174
203 HD13 LEU 28 3HD1 LEU 28 -0.063 0.586 -3.418
204 HD21 LEU 28 3HD2 LEU 28 -2.240 -0.937 -2.572
205 HD22 LEU 28 1HD2 LEU 28 -2.183 0.657 -3.326
206 HD23 LEU 28 2HD2 LEU 28 -3.155 0.402 -1.876
207 H THR 29 H THR 29 -1.630 0.678 1.848
208 HA THR 29 HA THR 29 -1.612 3.328 1.616
209 HB THR 29 HB THR 29 -1.765 2.045 4.348
210 HG1 THR 29 HG1 THR 29 -3.537 2.043 2.160
211 HG21 THR 29 3HG2 THR 29 -1.758 4.475 4.404
212 HG22 THR 29 1HG2 THR 29 -3.365 3.867 4.797
213 HG23 THR 29 2HG2 THR 29 -3.040 4.528 3.195
214 H GLN 30 H GLN 30 0.378 1.734 4.117
215 HA GLN 30 HA GLN 30 1.791 4.043 4.858
216 HB2 GLN 30 1HB GLN 30 2.501 1.118 5.099
217 HB3 GLN 30 2HB GLN 30 3.456 2.409 5.816
218 HG2 GLN 30 1HG GLN 30 0.555 2.313 6.430
219 HG3 GLN 30 2HG GLN 30 1.609 1.115 7.179
220 HE21 GLN 30 1HE2 GLN 30 0.578 4.373 7.146
221 HE22 GLN 30 2HE2 GLN 30 1.551 4.934 8.459
222 H HIS 31 H HIS 31 2.483 1.537 2.467
223 HA HIS 31 HA HIS 31 5.089 2.280 1.802
224 HB2 HIS 31 1HB HIS 31 4.503 0.270 0.844
225 HB3 HIS 31 2HB HIS 31 2.894 0.828 0.399
226 HD1 HIS 31 HD1 HIS 31 6.230 0.270 -0.955
227 HD2 HIS 31 HD2 HIS 31 2.911 2.562 -1.952
228 HE1 HIS 31 HE1 HIS 31 6.572 0.941 -3.354
229 H GLU 32 H GLU 32 2.062 3.200 0.150
230 HA GLU 32 HA GLU 32 2.913 4.844 -1.795
231 HB2 GLU 32 1HB GLU 32 0.666 5.476 0.128
232 HB3 GLU 32 2HB GLU 32 0.887 6.218 -1.451
233 HG2 GLU 32 1HG GLU 32 0.511 4.126 -2.555
234 HG3 GLU 32 2HG GLU 32 0.477 3.270 -1.015
235 H ARG 33 H ARG 33 3.230 5.425 1.607
236 HA ARG 33 HA ARG 33 3.618 8.189 1.639
237 HB2 ARG 33 1HB ARG 33 4.941 6.096 3.376
238 HB3 ARG 33 2HB ARG 33 4.854 7.816 3.733
239 HG2 ARG 33 1HG ARG 33 2.432 7.682 3.884
240 HG3 ARG 33 2HG ARG 33 2.493 5.966 3.478
241 HD2 ARG 33 1HD ARG 33 2.276 6.081 5.829
242 HD3 ARG 33 2HD ARG 33 3.959 5.664 5.510
243 HE ARG 33 HE ARG 33 3.685 8.463 5.745
244 HH11 ARG 33 1HH1 ARG 33 3.655 5.554 7.657
245 HH12 ARG 33 2HH1 ARG 33 4.201 6.341 9.100
246 HH21 ARG 33 1HH2 ARG 33 4.405 9.511 7.639
247 HH22 ARG 33 2HH2 ARG 33 4.626 8.592 9.089
248 H ILE 34 H ILE 34 5.975 5.567 1.197
249 HA ILE 34 HA ILE 34 8.351 6.829 1.155
250 HB ILE 34 HB ILE 34 9.176 5.250 -0.438
251 HG12 ILE 34 1HG1 ILE 34 6.455 4.262 -1.161
252 HG13 ILE 34 2HG1 ILE 34 7.036 5.729 -1.941
253 HG21 ILE 34 1HG2 ILE 34 7.450 4.489 1.724
254 HG22 ILE 34 2HG2 ILE 34 7.415 3.263 0.457
255 HG23 ILE 34 3HG2 ILE 34 8.952 3.743 1.177
256 HD11 ILE 34 3HD1 ILE 34 7.819 2.945 -2.341
257 HD12 ILE 34 1HD1 ILE 34 7.910 4.324 -3.437
258 HD13 ILE 34 2HD1 ILE 34 9.171 4.072 -2.230
259 H HIS 35 H HIS 35 5.757 7.353 -1.072
260 HA HIS 35 HA HIS 35 7.403 8.772 -2.989
261 HB2 HIS 35 1HB HIS 35 4.389 8.571 -2.857
262 HB3 HIS 35 2HB HIS 35 5.348 9.107 -4.233
263 HD1 HIS 35 HD1 HIS 35 7.284 7.017 -4.794
264 HD2 HIS 35 HD2 HIS 35 3.512 6.073 -3.331
265 HE1 HIS 35 HE1 HIS 35 6.898 4.615 -5.431
266 H THR 36 H THR 36 4.737 9.591 -0.774
267 HA THR 36 HA THR 36 4.747 12.351 -1.214
268 HB THR 36 HB THR 36 3.663 12.535 1.026
269 HG1 THR 36 HG1 THR 36 4.951 10.444 1.645
270 HG21 THR 36 3HG2 THR 36 2.034 10.395 0.191
271 HG22 THR 36 1HG2 THR 36 2.749 11.075 -1.270
272 HG23 THR 36 2HG2 THR 36 1.833 12.109 -0.172
273 H ARG 37 H ARG 37 5.752 14.069 -0.207
274 HA ARG 37 HA ARG 37 8.333 13.478 0.964
275 HB2 ARG 37 1HB ARG 37 6.969 15.975 0.006
276 HB3 ARG 37 2HB ARG 37 8.421 16.078 0.992
277 HG2 ARG 37 1HG ARG 37 9.767 15.235 -0.651
278 HG3 ARG 37 2HG ARG 37 8.459 14.322 -1.406
279 HD2 ARG 37 1HD ARG 37 7.478 16.435 -2.203
280 HD3 ARG 37 2HD ARG 37 8.829 17.314 -1.489
281 HE ARG 37 HE ARG 37 10.072 15.572 -3.114
282 HH11 ARG 37 1HH1 ARG 37 7.419 17.769 -3.620
283 HH12 ARG 37 2HH1 ARG 37 7.781 18.027 -5.294
284 HH21 ARG 37 1HH2 ARG 37 10.559 15.904 -5.318
285 HH22 ARG 37 2HH2 ARG 37 9.567 16.965 -6.259
286 H GLY 38 H GLY 38 9.017 15.005 2.836
287 HA2 GLY 38 1HA GLY 38 7.612 14.258 5.132
288 HA3 GLY 38 2HA GLY 38 8.823 15.530 5.061
289 H VAL 39 H VAL 39 7.052 16.106 6.819
290 HA VAL 39 HA VAL 39 4.802 17.533 5.633
291 HB VAL 39 HB VAL 39 4.417 16.176 7.655
292 HG11 VAL 39 1HG1 VAL 39 6.805 17.119 8.530
293 HG12 VAL 39 2HG1 VAL 39 5.684 18.117 9.457
294 HG13 VAL 39 3HG1 VAL 39 5.593 16.359 9.562
295 HG21 VAL 39 3HG2 VAL 39 3.966 18.891 8.696
296 HG22 VAL 39 1HG2 VAL 39 3.372 18.597 7.062
297 HG23 VAL 39 2HG2 VAL 39 2.820 17.585 8.396
298 H LYS 40 H LYS 40 6.055 19.163 4.567
299 HA LYS 40 HA LYS 40 6.490 21.470 6.237
300 HB2 LYS 40 1HB LYS 40 8.776 20.090 4.848
301 HB3 LYS 40 2HB LYS 40 8.824 21.811 5.207
302 HG2 LYS 40 1HG LYS 40 8.191 20.956 7.627
303 HG3 LYS 40 2HG LYS 40 8.963 19.482 7.038
304 HD2 LYS 40 1HD LYS 40 11.013 20.587 6.662
305 HD3 LYS 40 2HD LYS 40 10.269 22.181 6.805
306 HE2 LYS 40 1HE LYS 40 10.399 20.203 9.071
307 HE3 LYS 40 2HE LYS 40 11.634 21.428 8.786
308 HZ1 LYS 40 3HZ LYS 40 9.133 22.680 8.743
309 HZ2 LYS 40 1HZ LYS 40 10.385 22.880 9.864
310 HZ3 LYS 40 2HZ LYS 40 9.194 21.708 10.127
311 H SER 41 H SER 41 6.853 23.428 4.980
312 HA SER 41 HA SER 41 5.148 23.954 3.003
313 HB2 SER 41 1HB SER 41 6.519 25.820 2.315
314 HB3 SER 41 2HB SER 41 6.709 25.609 4.055
315 HG SER 41 HG SER 41 8.656 25.854 2.528
316 H GLY 42 H GLY 42 4.690 22.759 1.267
317 HA2 GLY 42 1HA GLY 42 6.932 22.021 -0.512
318 HA3 GLY 42 2HA GLY 42 5.597 20.923 -0.194
319 HA PRO 43 HA PRO 43 4.002 24.608 -2.947
320 HB2 PRO 43 1HB PRO 43 5.948 25.844 -4.382
321 HB3 PRO 43 2HB PRO 43 5.424 26.406 -2.790
322 HG2 PRO 43 1HG PRO 43 7.808 24.752 -3.525
323 HG3 PRO 43 2HG PRO 43 7.695 26.108 -2.388
324 HD2 PRO 43 1HD PRO 43 7.710 23.524 -1.577
325 HD3 PRO 43 2HD PRO 43 6.819 24.792 -0.710
326 H SER 44 H SER 44 6.391 22.251 -3.641
327 HA SER 44 HA SER 44 6.144 22.189 -6.472
328 HB2 SER 44 1HB SER 44 8.019 21.182 -5.052
329 HB3 SER 44 2HB SER 44 6.917 19.841 -4.741
330 HG SER 44 HG SER 44 8.007 20.687 -7.209
331 H SER 45 H SER 45 3.915 22.230 -6.905
332 HA SER 45 HA SER 45 2.503 19.712 -6.306
333 HB2 SER 45 1HB SER 45 1.445 21.625 -5.199
334 HB3 SER 45 2HB SER 45 1.326 22.469 -6.743
335 HG SER 45 HG SER 45 0.140 20.364 -7.331
336 H GLY 46 H GLY 46 4.217 19.868 -8.484
337 HA2 GLY 46 1HA GLY 46 4.318 19.717 -10.788
338 HA3 GLY 46 2HA GLY 46 2.838 18.798 -10.558
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -12.216 5.742 -16.845
2 HA2 GLY 1 1HA GLY 1 -9.833 5.578 -15.568
3 HA3 GLY 1 2HA GLY 1 -10.897 6.203 -14.318
4 H SER 2 H SER 2 -13.118 4.905 -14.348
5 HA SER 2 HA SER 2 -12.336 2.115 -13.949
6 HB2 SER 2 1HB SER 2 -13.402 3.212 -12.050
7 HB3 SER 2 2HB SER 2 -14.794 3.635 -13.046
8 HG SER 2 HG SER 2 -14.667 1.120 -13.364
9 H SER 3 H SER 3 -12.383 1.321 -16.047
10 HA SER 3 HA SER 3 -15.053 1.225 -17.293
11 HB2 SER 3 1HB SER 3 -13.845 0.955 -19.474
12 HB3 SER 3 2HB SER 3 -13.586 2.521 -18.706
13 HG SER 3 HG SER 3 -11.547 2.017 -18.320
14 H GLY 4 H GLY 4 -15.594 -0.692 -16.188
15 HA2 GLY 4 1HA GLY 4 -14.208 -3.073 -17.245
16 HA3 GLY 4 2HA GLY 4 -14.635 -2.961 -15.544
17 H SER 5 H SER 5 -15.500 -4.507 -18.183
18 HA SER 5 HA SER 5 -18.285 -4.064 -18.414
19 HB2 SER 5 1HB SER 5 -16.725 -6.576 -19.067
20 HB3 SER 5 2HB SER 5 -18.329 -6.158 -19.669
21 HG SER 5 HG SER 5 -15.867 -4.873 -20.225
22 H SER 6 H SER 6 -16.468 -6.664 -16.786
23 HA SER 6 HA SER 6 -18.889 -7.454 -15.360
24 HB2 SER 6 1HB SER 6 -16.244 -8.719 -15.904
25 HB3 SER 6 2HB SER 6 -17.102 -9.206 -14.442
26 HG SER 6 HG SER 6 -18.294 -10.396 -15.677
27 H GLY 7 H GLY 7 -18.430 -8.161 -12.983
28 HA2 GLY 7 1HA GLY 7 -17.513 -5.769 -11.616
29 HA3 GLY 7 2HA GLY 7 -18.345 -7.135 -10.888
30 H GLN 8 H GLN 8 -16.182 -5.942 -9.649
31 HA GLN 8 HA GLN 8 -13.876 -7.652 -10.176
32 HB2 GLN 8 1HB GLN 8 -13.885 -5.070 -9.627
33 HB3 GLN 8 2HB GLN 8 -13.934 -5.643 -7.965
34 HG2 GLN 8 1HG GLN 8 -11.830 -6.522 -8.055
35 HG3 GLN 8 2HG GLN 8 -11.899 -6.794 -9.796
36 HE21 GLN 8 1HE2 GLN 8 -9.668 -5.711 -8.757
37 HE22 GLN 8 2HE2 GLN 8 -9.547 -4.040 -9.177
38 H LYS 9 H LYS 9 -13.571 -9.482 -9.110
39 HA LYS 9 HA LYS 9 -15.135 -10.004 -6.695
40 HB2 LYS 9 1HB LYS 9 -15.313 -11.711 -8.370
41 HB3 LYS 9 2HB LYS 9 -13.565 -11.809 -8.537
42 HG2 LYS 9 1HG LYS 9 -13.311 -12.916 -6.500
43 HG3 LYS 9 2HG LYS 9 -14.917 -12.441 -5.940
44 HD2 LYS 9 1HD LYS 9 -14.593 -14.169 -8.367
45 HD3 LYS 9 2HD LYS 9 -14.533 -14.871 -6.748
46 HE2 LYS 9 1HE LYS 9 -16.786 -13.060 -7.512
47 HE3 LYS 9 2HE LYS 9 -16.798 -14.744 -8.032
48 HZ1 LYS 9 3HZ LYS 9 -17.519 -13.704 -5.542
49 HZ2 LYS 9 1HZ LYS 9 -16.139 -14.656 -5.310
50 HZ3 LYS 9 2HZ LYS 9 -17.514 -15.322 -6.035
51 H GLU 10 H GLU 10 -11.782 -10.476 -7.825
52 HA GLU 10 HA GLU 10 -10.806 -10.875 -5.157
53 HB2 GLU 10 1HB GLU 10 -9.472 -10.574 -7.839
54 HB3 GLU 10 2HB GLU 10 -8.542 -10.682 -6.351
55 HG2 GLU 10 1HG GLU 10 -10.033 -12.828 -5.990
56 HG3 GLU 10 2HG GLU 10 -10.139 -12.754 -7.748
57 H LYS 11 H LYS 11 -9.269 -9.531 -4.069
58 HA LYS 11 HA LYS 11 -9.726 -6.679 -4.596
59 HB2 LYS 11 1HB LYS 11 -10.185 -7.909 -2.313
60 HB3 LYS 11 2HB LYS 11 -8.455 -7.695 -2.085
61 HG2 LYS 11 1HG LYS 11 -9.373 -5.838 -1.049
62 HG3 LYS 11 2HG LYS 11 -8.895 -5.224 -2.633
63 HD2 LYS 11 1HD LYS 11 -11.059 -4.372 -2.261
64 HD3 LYS 11 2HD LYS 11 -11.277 -5.725 -3.374
65 HE2 LYS 11 1HE LYS 11 -12.975 -5.840 -1.682
66 HE3 LYS 11 2HE LYS 11 -11.838 -7.163 -1.430
67 HZ1 LYS 11 3HZ LYS 11 -11.137 -4.779 0.007
68 HZ2 LYS 11 1HZ LYS 11 -11.267 -6.373 0.558
69 HZ3 LYS 11 2HZ LYS 11 -12.645 -5.398 0.461
70 H CYS 12 H CYS 12 -8.155 -5.549 -5.512
71 HA CYS 12 HA CYS 12 -5.366 -6.257 -4.939
72 HB2 CYS 12 1HB CYS 12 -4.758 -5.944 -7.294
73 HB3 CYS 12 2HB CYS 12 -5.923 -7.250 -7.111
74 HG CYS 12 HG CYS 12 -6.240 -4.303 -8.697
75 H PHE 13 H PHE 13 -4.223 -4.554 -4.305
76 HA PHE 13 HA PHE 13 -5.286 -1.872 -4.883
77 HB2 PHE 13 1HB PHE 13 -3.495 -2.808 -2.631
78 HB3 PHE 13 2HB PHE 13 -4.000 -1.141 -2.888
79 HD1 PHE 13 HD2 PHE 13 -5.359 -4.552 -2.312
80 HD2 PHE 13 HD1 PHE 13 -5.949 -0.355 -1.917
81 HE1 PHE 13 HE2 PHE 13 -7.386 -4.965 -0.980
82 HE2 PHE 13 HE1 PHE 13 -7.976 -0.762 -0.584
83 HZ PHE 13 HZ PHE 13 -8.698 -3.069 -0.115
84 H LYS 14 H LYS 14 -4.254 -0.876 -6.473
85 HA LYS 14 HA LYS 14 -1.381 -1.389 -6.846
86 HB2 LYS 14 1HB LYS 14 -2.645 -1.947 -8.811
87 HB3 LYS 14 2HB LYS 14 -3.497 -0.408 -8.765
88 HG2 LYS 14 1HG LYS 14 -1.274 0.709 -9.133
89 HG3 LYS 14 2HG LYS 14 -0.610 -0.897 -9.441
90 HD2 LYS 14 1HD LYS 14 -2.507 -1.124 -11.162
91 HD3 LYS 14 2HD LYS 14 -2.661 0.628 -11.015
92 HE2 LYS 14 1HE LYS 14 -0.501 0.998 -11.849
93 HE3 LYS 14 2HE LYS 14 -0.018 -0.676 -11.582
94 HZ1 LYS 14 3HZ LYS 14 -0.377 -0.636 -13.834
95 HZ2 LYS 14 1HZ LYS 14 -1.664 0.458 -13.737
96 HZ3 LYS 14 2HZ LYS 14 -1.891 -1.156 -13.287
97 H CYS 15 H CYS 15 0.073 0.229 -6.704
98 HA CYS 15 HA CYS 15 -0.716 2.685 -5.490
99 HB2 CYS 15 1HB CYS 15 1.511 1.368 -5.248
100 HB3 CYS 15 2HB CYS 15 1.989 2.221 -6.712
101 H ASN 16 H ASN 16 0.237 4.805 -6.392
102 HA ASN 16 HA ASN 16 -0.637 5.028 -9.189
103 HB2 ASN 16 1HB ASN 16 -0.468 7.095 -6.987
104 HB3 ASN 16 2HB ASN 16 -0.884 7.469 -8.657
105 HD21 ASN 16 1HD2 ASN 16 -1.963 6.184 -5.666
106 HD22 ASN 16 2HD2 ASN 16 -3.607 5.913 -6.123
107 H LYS 17 H LYS 17 1.767 6.455 -6.974
108 HA LYS 17 HA LYS 17 3.352 7.686 -8.903
109 HB2 LYS 17 1HB LYS 17 4.288 6.469 -6.298
110 HB3 LYS 17 2HB LYS 17 5.118 7.713 -7.223
111 HG2 LYS 17 1HG LYS 17 2.353 8.116 -6.127
112 HG3 LYS 17 2HG LYS 17 3.805 8.462 -5.186
113 HD2 LYS 17 1HD LYS 17 3.545 9.602 -7.932
114 HD3 LYS 17 2HD LYS 17 2.645 10.341 -6.605
115 HE2 LYS 17 1HE LYS 17 4.627 10.837 -5.415
116 HE3 LYS 17 2HE LYS 17 5.600 9.798 -6.455
117 HZ1 LYS 17 3HZ LYS 17 5.477 12.421 -6.752
118 HZ2 LYS 17 1HZ LYS 17 4.188 11.985 -7.758
119 HZ3 LYS 17 2HZ LYS 17 5.735 11.368 -8.051
120 H CYS 18 H CYS 18 4.322 4.727 -7.169
121 HA CYS 18 HA CYS 18 6.141 3.987 -9.253
122 HB2 CYS 18 1HB CYS 18 6.586 2.013 -7.891
123 HB3 CYS 18 2HB CYS 18 6.575 3.457 -6.884
124 H GLU 19 H GLU 19 2.931 2.953 -8.231
125 HA GLU 19 HA GLU 19 1.292 1.855 -9.386
126 HB2 GLU 19 1HB GLU 19 3.176 1.535 -11.712
127 HB3 GLU 19 2HB GLU 19 1.418 1.572 -11.729
128 HG2 GLU 19 1HG GLU 19 1.394 3.913 -11.261
129 HG3 GLU 19 2HG GLU 19 3.135 3.927 -10.990
130 H LYS 20 H LYS 20 2.836 0.483 -7.601
131 HA LYS 20 HA LYS 20 3.403 -2.094 -8.896
132 HB2 LYS 20 1HB LYS 20 4.336 -0.846 -6.325
133 HB3 LYS 20 2HB LYS 20 4.454 -2.582 -6.582
134 HG2 LYS 20 1HG LYS 20 5.697 -1.981 -8.742
135 HG3 LYS 20 2HG LYS 20 5.853 -0.370 -8.038
136 HD2 LYS 20 1HD LYS 20 7.782 -1.305 -7.257
137 HD3 LYS 20 2HD LYS 20 6.692 -1.770 -5.949
138 HE2 LYS 20 1HE LYS 20 6.946 -3.598 -8.279
139 HE3 LYS 20 2HE LYS 20 8.288 -3.520 -7.138
140 HZ1 LYS 20 3HZ LYS 20 6.026 -5.025 -6.869
141 HZ2 LYS 20 1HZ LYS 20 5.764 -3.725 -5.818
142 HZ3 LYS 20 2HZ LYS 20 7.147 -4.684 -5.649
143 H THR 21 H THR 21 2.297 -3.909 -8.367
144 HA THR 21 HA THR 21 -0.200 -3.592 -6.981
145 HB THR 21 HB THR 21 -0.470 -6.052 -7.464
146 HG1 THR 21 HG1 THR 21 1.767 -5.841 -9.161
147 HG21 THR 21 3HG2 THR 21 -1.186 -4.159 -8.993
148 HG22 THR 21 1HG2 THR 21 -0.956 -5.729 -9.761
149 HG23 THR 21 2HG2 THR 21 0.278 -4.479 -9.922
150 H PHE 22 H PHE 22 -0.787 -4.351 -5.004
151 HA PHE 22 HA PHE 22 1.291 -5.706 -3.415
152 HB2 PHE 22 1HB PHE 22 -0.608 -3.523 -2.536
153 HB3 PHE 22 2HB PHE 22 0.386 -4.467 -1.431
154 HD1 PHE 22 HD1 PHE 22 2.849 -4.263 -1.508
155 HD2 PHE 22 HD2 PHE 22 0.301 -1.738 -3.799
156 HE1 PHE 22 HE1 PHE 22 4.709 -2.685 -1.830
157 HE2 PHE 22 HE2 PHE 22 2.157 -0.157 -4.126
158 HZ PHE 22 HZ PHE 22 4.365 -0.629 -3.142
159 H SER 23 H SER 23 0.193 -6.584 -1.292
160 HA SER 23 HA SER 23 -1.781 -8.479 -2.180
161 HB2 SER 23 1HB SER 23 -0.563 -8.057 0.560
162 HB3 SER 23 2HB SER 23 -1.553 -9.436 0.082
163 HG SER 23 HG SER 23 1.089 -8.877 -0.472
164 H CYS 24 H CYS 24 -1.710 -6.268 0.622
165 HA CYS 24 HA CYS 24 -4.623 -5.951 0.312
166 HB2 CYS 24 1HB CYS 24 -4.731 -5.630 2.766
167 HB3 CYS 24 2HB CYS 24 -4.140 -7.227 2.321
168 HG CYS 24 HG CYS 24 -2.596 -6.661 4.447
169 H SER 25 H SER 25 -5.282 -3.909 1.764
170 HA SER 25 HA SER 25 -4.199 -1.665 0.401
171 HB2 SER 25 1HB SER 25 -6.568 -1.860 1.218
172 HB3 SER 25 2HB SER 25 -5.963 -1.631 2.859
173 HG SER 25 HG SER 25 -5.559 0.196 0.725
174 H LYS 26 H LYS 26 -4.003 -2.770 3.772
175 HA LYS 26 HA LYS 26 -2.654 -0.795 5.013
176 HB2 LYS 26 1HB LYS 26 -3.245 -2.957 6.055
177 HB3 LYS 26 2HB LYS 26 -1.919 -3.723 5.191
178 HG2 LYS 26 1HG LYS 26 -1.300 -1.381 6.907
179 HG3 LYS 26 2HG LYS 26 -1.673 -2.920 7.688
180 HD2 LYS 26 1HD LYS 26 0.050 -3.872 5.966
181 HD3 LYS 26 2HD LYS 26 0.607 -2.198 5.896
182 HE2 LYS 26 1HE LYS 26 1.916 -3.321 7.540
183 HE3 LYS 26 2HE LYS 26 0.802 -2.252 8.391
184 HZ1 LYS 26 3HZ LYS 26 -0.633 -4.479 8.331
185 HZ2 LYS 26 1HZ LYS 26 0.439 -4.109 9.588
186 HZ3 LYS 26 2HZ LYS 26 0.917 -5.156 8.349
187 H TYR 27 H TYR 27 -1.000 -3.380 3.192
188 HA TYR 27 HA TYR 27 1.579 -2.408 3.366
189 HB2 TYR 27 1HB TYR 27 0.134 -4.154 1.440
190 HB3 TYR 27 2HB TYR 27 1.701 -3.527 0.940
191 HD1 TYR 27 HD2 TYR 27 0.046 -5.329 3.754
192 HD2 TYR 27 HD1 TYR 27 3.641 -4.634 1.587
193 HE1 TYR 27 HE2 TYR 27 1.158 -7.104 5.043
194 HE2 TYR 27 HE1 TYR 27 4.763 -6.408 2.869
195 HH TYR 27 HH TYR 27 4.516 -8.032 4.371
196 H LEU 28 H LEU 28 -0.975 -1.534 1.095
197 HA LEU 28 HA LEU 28 0.658 0.130 -0.538
198 HB2 LEU 28 1HB LEU 28 -1.405 -0.822 -1.377
199 HB3 LEU 28 2HB LEU 28 -2.331 0.047 -0.155
200 HG LEU 28 HG LEU 28 -1.794 2.164 -1.221
201 HD11 LEU 28 1HD1 LEU 28 -0.731 1.926 -3.578
202 HD12 LEU 28 2HD1 LEU 28 -0.054 0.435 -2.925
203 HD13 LEU 28 3HD1 LEU 28 0.307 1.979 -2.153
204 HD21 LEU 28 3HD2 LEU 28 -3.709 0.643 -1.989
205 HD22 LEU 28 1HD2 LEU 28 -2.706 0.319 -3.403
206 HD23 LEU 28 2HD2 LEU 28 -3.230 1.967 -3.053
207 H THR 29 H THR 29 -1.370 0.677 2.285
208 HA THR 29 HA THR 29 -1.374 3.488 2.234
209 HB THR 29 HB THR 29 -1.503 1.707 4.675
210 HG1 THR 29 HG1 THR 29 -3.113 1.591 2.729
211 HG21 THR 29 3HG2 THR 29 -2.525 4.513 4.221
212 HG22 THR 29 1HG2 THR 29 -1.104 4.084 5.172
213 HG23 THR 29 2HG2 THR 29 -2.705 3.566 5.697
214 H GLN 30 H GLN 30 0.567 1.342 4.328
215 HA GLN 30 HA GLN 30 2.266 3.334 5.303
216 HB2 GLN 30 1HB GLN 30 2.352 0.366 5.161
217 HB3 GLN 30 2HB GLN 30 3.860 1.200 5.509
218 HG2 GLN 30 1HG GLN 30 2.399 2.446 7.290
219 HG3 GLN 30 2HG GLN 30 1.371 1.023 7.127
220 HE21 GLN 30 1HE2 GLN 30 1.733 0.018 9.012
221 HE22 GLN 30 2HE2 GLN 30 3.278 -0.530 9.555
222 H HIS 31 H HIS 31 2.503 1.297 2.438
223 HA HIS 31 HA HIS 31 5.143 1.966 1.722
224 HB2 HIS 31 1HB HIS 31 4.306 0.098 0.608
225 HB3 HIS 31 2HB HIS 31 2.778 0.887 0.226
226 HD1 HIS 31 HD1 HIS 31 6.039 0.096 -1.181
227 HD2 HIS 31 HD2 HIS 31 3.047 2.890 -1.890
228 HE1 HIS 31 HE1 HIS 31 6.501 1.007 -3.479
229 H GLU 32 H GLU 32 2.070 3.197 0.386
230 HA GLU 32 HA GLU 32 2.819 5.052 -1.370
231 HB2 GLU 32 1HB GLU 32 0.724 5.167 0.762
232 HB3 GLU 32 2HB GLU 32 1.002 6.584 -0.241
233 HG2 GLU 32 1HG GLU 32 0.628 3.963 -1.584
234 HG3 GLU 32 2HG GLU 32 -0.780 4.760 -0.884
235 H ARG 33 H ARG 33 3.348 5.276 2.081
236 HA ARG 33 HA ARG 33 3.982 7.944 2.387
237 HB2 ARG 33 1HB ARG 33 5.213 5.520 3.703
238 HB3 ARG 33 2HB ARG 33 5.510 7.172 4.227
239 HG2 ARG 33 1HG ARG 33 2.924 7.311 4.396
240 HG3 ARG 33 2HG ARG 33 3.014 5.548 4.418
241 HD2 ARG 33 1HD ARG 33 4.570 5.680 6.325
242 HD3 ARG 33 2HD ARG 33 4.402 7.435 6.318
243 HE ARG 33 HE ARG 33 1.929 5.956 6.575
244 HH11 ARG 33 1HH1 ARG 33 4.561 7.543 8.210
245 HH12 ARG 33 2HH1 ARG 33 3.676 7.780 9.681
246 HH21 ARG 33 1HH2 ARG 33 0.754 6.262 8.506
247 HH22 ARG 33 2HH2 ARG 33 1.511 7.050 9.848
248 H ILE 34 H ILE 34 6.171 5.291 1.471
249 HA ILE 34 HA ILE 34 8.573 6.499 1.297
250 HB ILE 34 HB ILE 34 9.200 5.017 -0.469
251 HG12 ILE 34 1HG1 ILE 34 6.400 4.139 -1.001
252 HG13 ILE 34 2HG1 ILE 34 6.941 5.650 -1.725
253 HG21 ILE 34 1HG2 ILE 34 8.675 4.027 1.742
254 HG22 ILE 34 2HG2 ILE 34 7.061 3.642 1.148
255 HG23 ILE 34 3HG2 ILE 34 8.475 2.895 0.404
256 HD11 ILE 34 3HD1 ILE 34 8.367 4.616 -3.147
257 HD12 ILE 34 1HD1 ILE 34 8.698 3.290 -2.032
258 HD13 ILE 34 2HD1 ILE 34 7.190 3.318 -2.947
259 H HIS 35 H HIS 35 5.797 7.244 -0.624
260 HA HIS 35 HA HIS 35 7.347 8.835 -2.514
261 HB2 HIS 35 1HB HIS 35 4.353 8.427 -2.366
262 HB3 HIS 35 2HB HIS 35 5.247 9.155 -3.698
263 HD1 HIS 35 HD1 HIS 35 7.387 7.201 -4.320
264 HD2 HIS 35 HD2 HIS 35 3.567 5.994 -3.216
265 HE1 HIS 35 HE1 HIS 35 7.136 4.863 -5.213
266 H THR 36 H THR 36 8.112 10.398 -1.000
267 HA THR 36 HA THR 36 6.194 12.552 -0.575
268 HB THR 36 HB THR 36 7.300 12.861 1.773
269 HG1 THR 36 HG1 THR 36 7.404 10.035 1.649
270 HG21 THR 36 3HG2 THR 36 4.947 12.517 1.560
271 HG22 THR 36 1HG2 THR 36 5.530 11.383 2.777
272 HG23 THR 36 2HG2 THR 36 5.173 10.818 1.145
273 H ARG 37 H ARG 37 7.060 14.498 -0.979
274 HA ARG 37 HA ARG 37 9.996 14.679 -1.159
275 HB2 ARG 37 1HB ARG 37 9.052 14.792 -3.373
276 HB3 ARG 37 2HB ARG 37 7.881 16.000 -2.863
277 HG2 ARG 37 1HG ARG 37 9.396 17.350 -3.881
278 HG3 ARG 37 2HG ARG 37 10.067 17.347 -2.249
279 HD2 ARG 37 1HD ARG 37 11.875 16.974 -3.742
280 HD3 ARG 37 2HD ARG 37 11.526 15.432 -2.962
281 HE ARG 37 HE ARG 37 10.066 15.422 -5.289
282 HH11 ARG 37 1HH1 ARG 37 13.426 15.732 -4.432
283 HH12 ARG 37 2HH1 ARG 37 14.001 15.011 -5.899
284 HH21 ARG 37 1HH2 ARG 37 10.811 14.473 -7.224
285 HH22 ARG 37 2HH2 ARG 37 12.513 14.297 -7.487
286 H GLY 38 H GLY 38 10.954 16.167 0.073
287 HA2 GLY 38 1HA GLY 38 10.768 18.632 0.682
288 HA3 GLY 38 2HA GLY 38 9.227 18.167 1.387
289 H VAL 39 H VAL 39 10.206 19.131 3.336
290 HA VAL 39 HA VAL 39 12.449 18.050 4.626
291 HB VAL 39 HB VAL 39 11.541 19.046 6.692
292 HG11 VAL 39 1HG1 VAL 39 12.542 20.843 5.848
293 HG12 VAL 39 2HG1 VAL 39 12.054 20.419 4.207
294 HG13 VAL 39 3HG1 VAL 39 10.968 21.352 5.238
295 HG21 VAL 39 3HG2 VAL 39 9.177 20.012 5.128
296 HG22 VAL 39 1HG2 VAL 39 9.127 18.464 5.972
297 HG23 VAL 39 2HG2 VAL 39 9.410 19.952 6.875
298 H LYS 40 H LYS 40 12.696 16.480 6.191
299 HA LYS 40 HA LYS 40 10.627 14.423 6.213
300 HB2 LYS 40 1HB LYS 40 13.486 14.410 7.194
301 HB3 LYS 40 2HB LYS 40 12.396 13.034 7.304
302 HG2 LYS 40 1HG LYS 40 13.475 12.496 5.384
303 HG3 LYS 40 2HG LYS 40 12.166 13.468 4.706
304 HD2 LYS 40 1HD LYS 40 14.108 14.272 3.663
305 HD3 LYS 40 2HD LYS 40 13.759 15.453 4.928
306 HE2 LYS 40 1HE LYS 40 16.067 15.068 5.087
307 HE3 LYS 40 2HE LYS 40 15.361 14.110 6.388
308 HZ1 LYS 40 3HZ LYS 40 15.380 12.254 4.591
309 HZ2 LYS 40 1HZ LYS 40 16.798 12.621 5.439
310 HZ3 LYS 40 2HZ LYS 40 16.575 13.210 3.869
311 H SER 41 H SER 41 12.480 16.424 8.471
312 HA SER 41 HA SER 41 10.626 15.615 10.611
313 HB2 SER 41 1HB SER 41 13.186 15.245 10.832
314 HB3 SER 41 2HB SER 41 13.258 16.986 11.102
315 HG SER 41 HG SER 41 12.945 15.402 12.971
316 H GLY 42 H GLY 42 9.054 17.054 10.885
317 HA2 GLY 42 1HA GLY 42 9.390 19.819 10.121
318 HA3 GLY 42 2HA GLY 42 7.932 19.083 10.769
319 HA PRO 43 HA PRO 43 9.586 21.857 14.051
320 HB2 PRO 43 1HB PRO 43 7.144 22.750 14.829
321 HB3 PRO 43 2HB PRO 43 8.050 23.471 13.494
322 HG2 PRO 43 1HG PRO 43 5.805 21.492 13.409
323 HG3 PRO 43 2HG PRO 43 6.076 22.920 12.394
324 HD2 PRO 43 1HD PRO 43 6.666 20.411 11.565
325 HD3 PRO 43 2HD PRO 43 7.597 21.831 11.048
326 H SER 44 H SER 44 9.526 21.586 16.289
327 HA SER 44 HA SER 44 8.560 19.002 17.169
328 HB2 SER 44 1HB SER 44 9.825 19.424 19.196
329 HB3 SER 44 2HB SER 44 10.819 19.846 17.802
330 HG SER 44 HG SER 44 9.247 21.819 19.036
331 H SER 45 H SER 45 6.451 20.668 16.517
332 HA SER 45 HA SER 45 5.413 21.922 18.894
333 HB2 SER 45 1HB SER 45 4.817 22.906 16.779
334 HB3 SER 45 2HB SER 45 4.188 21.369 16.184
335 HG SER 45 HG SER 45 2.582 21.507 17.832
336 H GLY 46 H GLY 46 4.397 19.142 16.898
337 HA2 GLY 46 1HA GLY 46 3.987 17.064 18.264
338 HA3 GLY 46 2HA GLY 46 2.990 18.098 19.277
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -33.157 -1.653 -15.678
2 HA2 GLY 1 1HA GLY 1 -34.047 -2.840 -13.268
3 HA3 GLY 1 2HA GLY 1 -33.712 -4.095 -14.452
4 H SER 2 H SER 2 -31.927 -4.987 -13.526
5 HA SER 2 HA SER 2 -29.779 -3.411 -12.482
6 HB2 SER 2 1HB SER 2 -29.987 -6.363 -13.117
7 HB3 SER 2 2HB SER 2 -28.595 -5.619 -12.329
8 HG SER 2 HG SER 2 -29.723 -5.362 -10.537
9 H SER 3 H SER 3 -27.867 -2.854 -13.401
10 HA SER 3 HA SER 3 -27.712 -2.623 -16.202
11 HB2 SER 3 1HB SER 3 -25.465 -1.749 -15.833
12 HB3 SER 3 2HB SER 3 -26.566 -1.094 -14.621
13 HG SER 3 HG SER 3 -25.607 -2.252 -13.092
14 H GLY 4 H GLY 4 -26.134 -4.840 -13.927
15 HA2 GLY 4 1HA GLY 4 -25.890 -6.845 -15.978
16 HA3 GLY 4 2HA GLY 4 -24.346 -6.150 -15.509
17 H SER 5 H SER 5 -25.368 -8.890 -15.194
18 HA SER 5 HA SER 5 -26.153 -9.488 -12.598
19 HB2 SER 5 1HB SER 5 -24.550 -11.035 -14.628
20 HB3 SER 5 2HB SER 5 -24.941 -11.715 -13.049
21 HG SER 5 HG SER 5 -26.991 -11.877 -13.606
22 H SER 6 H SER 6 -24.797 -10.630 -10.937
23 HA SER 6 HA SER 6 -22.205 -9.257 -10.641
24 HB2 SER 6 1HB SER 6 -24.168 -10.071 -8.484
25 HB3 SER 6 2HB SER 6 -22.583 -9.355 -8.193
26 HG SER 6 HG SER 6 -23.585 -7.681 -9.789
27 H GLY 7 H GLY 7 -20.571 -10.624 -10.891
28 HA2 GLY 7 1HA GLY 7 -20.951 -13.441 -10.125
29 HA3 GLY 7 2HA GLY 7 -19.746 -12.849 -11.260
30 H GLN 8 H GLN 8 -17.757 -13.013 -10.496
31 HA GLN 8 HA GLN 8 -17.333 -12.634 -7.605
32 HB2 GLN 8 1HB GLN 8 -16.181 -14.554 -9.564
33 HB3 GLN 8 2HB GLN 8 -15.120 -13.959 -8.294
34 HG2 GLN 8 1HG GLN 8 -16.084 -16.009 -7.564
35 HG3 GLN 8 2HG GLN 8 -16.797 -14.700 -6.623
36 HE21 GLN 8 1HE2 GLN 8 -18.649 -15.799 -6.104
37 HE22 GLN 8 2HE2 GLN 8 -19.865 -16.201 -7.263
38 H LYS 9 H LYS 9 -15.336 -11.630 -6.954
39 HA LYS 9 HA LYS 9 -13.836 -10.183 -8.979
40 HB2 LYS 9 1HB LYS 9 -14.176 -8.004 -7.868
41 HB3 LYS 9 2HB LYS 9 -15.668 -8.652 -8.537
42 HG2 LYS 9 1HG LYS 9 -16.155 -9.535 -6.208
43 HG3 LYS 9 2HG LYS 9 -14.826 -8.511 -5.660
44 HD2 LYS 9 1HD LYS 9 -16.938 -7.294 -7.368
45 HD3 LYS 9 2HD LYS 9 -17.324 -7.645 -5.682
46 HE2 LYS 9 1HE LYS 9 -16.528 -5.455 -5.625
47 HE3 LYS 9 2HE LYS 9 -15.136 -6.419 -5.136
48 HZ1 LYS 9 3HZ LYS 9 -15.332 -5.969 -7.979
49 HZ2 LYS 9 1HZ LYS 9 -13.996 -5.831 -6.950
50 HZ3 LYS 9 2HZ LYS 9 -15.103 -4.559 -7.074
51 H GLU 10 H GLU 10 -11.750 -9.906 -8.413
52 HA GLU 10 HA GLU 10 -10.922 -10.939 -5.820
53 HB2 GLU 10 1HB GLU 10 -9.526 -10.373 -8.409
54 HB3 GLU 10 2HB GLU 10 -8.588 -10.525 -6.930
55 HG2 GLU 10 1HG GLU 10 -9.820 -12.753 -6.616
56 HG3 GLU 10 2HG GLU 10 -10.251 -12.589 -8.317
57 H LYS 11 H LYS 11 -9.615 -9.811 -4.365
58 HA LYS 11 HA LYS 11 -9.933 -6.909 -4.495
59 HB2 LYS 11 1HB LYS 11 -10.671 -7.987 -2.447
60 HB3 LYS 11 2HB LYS 11 -9.092 -8.733 -2.235
61 HG2 LYS 11 1HG LYS 11 -8.294 -6.214 -2.284
62 HG3 LYS 11 2HG LYS 11 -9.954 -5.937 -1.751
63 HD2 LYS 11 1HD LYS 11 -8.179 -7.961 -0.418
64 HD3 LYS 11 2HD LYS 11 -8.168 -6.259 0.053
65 HE2 LYS 11 1HE LYS 11 -10.775 -6.628 0.162
66 HE3 LYS 11 2HE LYS 11 -10.302 -8.313 0.371
67 HZ1 LYS 11 3HZ LYS 11 -8.712 -6.735 2.049
68 HZ2 LYS 11 1HZ LYS 11 -9.868 -7.891 2.484
69 HZ3 LYS 11 2HZ LYS 11 -10.322 -6.274 2.284
70 H CYS 12 H CYS 12 -8.310 -5.588 -4.984
71 HA CYS 12 HA CYS 12 -5.573 -6.274 -4.348
72 HB2 CYS 12 1HB CYS 12 -6.549 -6.044 -7.192
73 HB3 CYS 12 2HB CYS 12 -4.863 -5.794 -6.756
74 HG CYS 12 HG CYS 12 -5.741 -8.604 -5.398
75 H PHE 13 H PHE 13 -4.077 -4.451 -5.187
76 HA PHE 13 HA PHE 13 -5.377 -1.872 -5.437
77 HB2 PHE 13 1HB PHE 13 -3.570 -2.477 -3.087
78 HB3 PHE 13 2HB PHE 13 -4.234 -0.898 -3.493
79 HD1 PHE 13 HD1 PHE 13 -6.704 -0.543 -3.361
80 HD2 PHE 13 HD2 PHE 13 -4.813 -4.047 -1.857
81 HE1 PHE 13 HE1 PHE 13 -8.696 -1.030 -2.002
82 HE2 PHE 13 HE2 PHE 13 -6.802 -4.540 -0.496
83 HZ PHE 13 HZ PHE 13 -8.748 -3.032 -0.568
84 H LYS 14 H LYS 14 -4.144 -0.404 -6.503
85 HA LYS 14 HA LYS 14 -1.347 -1.146 -7.058
86 HB2 LYS 14 1HB LYS 14 -2.533 -1.583 -9.069
87 HB3 LYS 14 2HB LYS 14 -3.457 -0.093 -8.935
88 HG2 LYS 14 1HG LYS 14 -1.680 1.224 -9.628
89 HG3 LYS 14 2HG LYS 14 -0.483 -0.012 -9.234
90 HD2 LYS 14 1HD LYS 14 -2.543 -0.528 -11.343
91 HD3 LYS 14 2HD LYS 14 -1.106 0.426 -11.720
92 HE2 LYS 14 1HE LYS 14 0.264 -1.473 -10.807
93 HE3 LYS 14 2HE LYS 14 -1.223 -2.415 -10.724
94 HZ1 LYS 14 3HZ LYS 14 -1.049 -2.882 -12.867
95 HZ2 LYS 14 1HZ LYS 14 0.450 -2.098 -12.907
96 HZ3 LYS 14 2HZ LYS 14 -0.962 -1.244 -13.281
97 H CYS 15 H CYS 15 0.136 0.383 -6.692
98 HA CYS 15 HA CYS 15 -0.518 2.775 -5.371
99 HB2 CYS 15 1HB CYS 15 1.720 1.394 -5.478
100 HB3 CYS 15 2HB CYS 15 2.086 2.477 -6.817
101 H ASN 16 H ASN 16 0.530 4.931 -6.221
102 HA ASN 16 HA ASN 16 -0.625 5.402 -8.884
103 HB2 ASN 16 1HB ASN 16 -0.135 7.303 -6.582
104 HB3 ASN 16 2HB ASN 16 -0.725 7.798 -8.166
105 HD21 ASN 16 1HD2 ASN 16 -1.443 5.542 -5.533
106 HD22 ASN 16 2HD2 ASN 16 -3.161 5.669 -5.662
107 H LYS 17 H LYS 17 2.120 6.326 -6.823
108 HA LYS 17 HA LYS 17 3.546 7.653 -8.891
109 HB2 LYS 17 1HB LYS 17 4.540 6.478 -6.288
110 HB3 LYS 17 2HB LYS 17 5.459 7.560 -7.326
111 HG2 LYS 17 1HG LYS 17 2.791 8.450 -6.362
112 HG3 LYS 17 2HG LYS 17 4.146 8.450 -5.231
113 HD2 LYS 17 1HD LYS 17 5.293 10.069 -6.397
114 HD3 LYS 17 2HD LYS 17 4.513 9.669 -7.929
115 HE2 LYS 17 1HE LYS 17 3.580 11.726 -7.332
116 HE3 LYS 17 2HE LYS 17 2.365 10.546 -6.845
117 HZ1 LYS 17 3HZ LYS 17 3.317 12.482 -5.257
118 HZ2 LYS 17 1HZ LYS 17 4.313 11.191 -4.809
119 HZ3 LYS 17 2HZ LYS 17 2.632 11.043 -4.692
120 H CYS 18 H CYS 18 4.668 4.760 -7.154
121 HA CYS 18 HA CYS 18 6.313 3.913 -9.298
122 HB2 CYS 18 1HB CYS 18 6.616 1.852 -7.968
123 HB3 CYS 18 2HB CYS 18 6.829 3.305 -6.998
124 H GLU 19 H GLU 19 3.029 3.180 -8.345
125 HA GLU 19 HA GLU 19 1.333 2.154 -9.472
126 HB2 GLU 19 1HB GLU 19 3.227 1.729 -11.779
127 HB3 GLU 19 2HB GLU 19 1.471 1.812 -11.822
128 HG2 GLU 19 1HG GLU 19 2.975 4.182 -10.851
129 HG3 GLU 19 2HG GLU 19 2.966 3.835 -12.579
130 H LYS 20 H LYS 20 2.837 0.690 -7.687
131 HA LYS 20 HA LYS 20 3.195 -1.929 -8.967
132 HB2 LYS 20 1HB LYS 20 4.264 -0.691 -6.457
133 HB3 LYS 20 2HB LYS 20 4.176 -2.443 -6.593
134 HG2 LYS 20 1HG LYS 20 5.466 -2.171 -8.774
135 HG3 LYS 20 2HG LYS 20 5.786 -0.520 -8.237
136 HD2 LYS 20 1HD LYS 20 7.638 -1.646 -7.438
137 HD3 LYS 20 2HD LYS 20 6.565 -1.678 -6.037
138 HE2 LYS 20 1HE LYS 20 5.794 -3.936 -6.784
139 HE3 LYS 20 2HE LYS 20 7.047 -3.893 -8.024
140 HZ1 LYS 20 3HZ LYS 20 8.521 -4.574 -6.541
141 HZ2 LYS 20 1HZ LYS 20 7.300 -4.699 -5.376
142 HZ3 LYS 20 2HZ LYS 20 8.182 -3.264 -5.526
143 H THR 21 H THR 21 2.162 -3.767 -8.177
144 HA THR 21 HA THR 21 -0.357 -3.232 -6.821
145 HB THR 21 HB THR 21 -0.790 -5.688 -7.330
146 HG1 THR 21 HG1 THR 21 1.297 -5.494 -9.208
147 HG21 THR 21 3HG2 THR 21 -1.611 -5.179 -9.425
148 HG22 THR 21 1HG2 THR 21 -0.191 -4.234 -9.870
149 HG23 THR 21 2HG2 THR 21 -1.380 -3.565 -8.753
150 H PHE 22 H PHE 22 -0.974 -4.091 -4.874
151 HA PHE 22 HA PHE 22 1.110 -5.517 -3.355
152 HB2 PHE 22 1HB PHE 22 -0.827 -3.403 -2.398
153 HB3 PHE 22 2HB PHE 22 0.149 -4.394 -1.319
154 HD1 PHE 22 HD2 PHE 22 0.517 -2.134 -4.259
155 HD2 PHE 22 HD1 PHE 22 2.192 -3.596 -0.630
156 HE1 PHE 22 HE2 PHE 22 2.370 -0.530 -4.472
157 HE2 PHE 22 HE1 PHE 22 4.047 -1.993 -0.836
158 HZ PHE 22 HZ PHE 22 4.139 -0.458 -2.760
159 H SER 23 H SER 23 0.265 -6.836 -1.548
160 HA SER 23 HA SER 23 -2.022 -8.370 -2.458
161 HB2 SER 23 1HB SER 23 0.077 -8.785 -0.341
162 HB3 SER 23 2HB SER 23 -1.358 -9.807 -0.411
163 HG SER 23 HG SER 23 0.359 -9.382 -2.625
164 H CYS 24 H CYS 24 -1.046 -6.629 0.484
165 HA CYS 24 HA CYS 24 -3.818 -6.757 1.435
166 HB2 CYS 24 1HB CYS 24 -1.823 -7.452 2.897
167 HB3 CYS 24 2HB CYS 24 -1.462 -5.734 3.008
168 HG CYS 24 HG CYS 24 -2.715 -6.208 5.351
169 H SER 25 H SER 25 -4.586 -4.755 2.609
170 HA SER 25 HA SER 25 -4.297 -2.506 0.814
171 HB2 SER 25 1HB SER 25 -6.481 -3.386 1.932
172 HB3 SER 25 2HB SER 25 -5.941 -2.455 3.329
173 HG SER 25 HG SER 25 -6.603 -0.731 2.349
174 H LYS 26 H LYS 26 -4.096 -2.884 4.357
175 HA LYS 26 HA LYS 26 -3.019 -0.407 4.950
176 HB2 LYS 26 1HB LYS 26 -2.325 -1.337 7.050
177 HB3 LYS 26 2HB LYS 26 -3.850 -2.089 6.603
178 HG2 LYS 26 1HG LYS 26 -2.865 -4.130 6.154
179 HG3 LYS 26 2HG LYS 26 -1.266 -3.421 5.914
180 HD2 LYS 26 1HD LYS 26 -0.978 -4.351 7.984
181 HD3 LYS 26 2HD LYS 26 -1.562 -2.752 8.450
182 HE2 LYS 26 1HE LYS 26 -3.356 -5.147 8.100
183 HE3 LYS 26 2HE LYS 26 -2.640 -4.685 9.644
184 HZ1 LYS 26 3HZ LYS 26 -4.960 -3.681 8.430
185 HZ2 LYS 26 1HZ LYS 26 -3.840 -2.418 8.548
186 HZ3 LYS 26 2HZ LYS 26 -4.300 -3.273 9.933
187 H TYR 27 H TYR 27 -1.515 -3.150 3.488
188 HA TYR 27 HA TYR 27 1.182 -2.517 4.090
189 HB2 TYR 27 1HB TYR 27 -0.218 -4.322 2.185
190 HB3 TYR 27 2HB TYR 27 1.457 -3.915 1.828
191 HD1 TYR 27 HD2 TYR 27 -0.634 -5.051 4.713
192 HD2 TYR 27 HD1 TYR 27 3.102 -5.284 2.690
193 HE1 TYR 27 HE2 TYR 27 0.117 -6.767 6.308
194 HE2 TYR 27 HE1 TYR 27 3.862 -7.001 4.279
195 HH TYR 27 HH TYR 27 2.474 -8.803 5.844
196 H LEU 28 H LEU 28 -0.973 -1.683 1.421
197 HA LEU 28 HA LEU 28 1.024 -0.361 -0.125
198 HB2 LEU 28 1HB LEU 28 -0.943 -1.230 -1.197
199 HB3 LEU 28 2HB LEU 28 -1.985 -0.231 -0.186
200 HG LEU 28 HG LEU 28 -1.075 1.781 -1.297
201 HD11 LEU 28 1HD1 LEU 28 0.467 1.727 -2.994
202 HD12 LEU 28 2HD1 LEU 28 0.120 0.049 -3.407
203 HD13 LEU 28 3HD1 LEU 28 1.062 0.424 -1.965
204 HD21 LEU 28 3HD2 LEU 28 -2.138 1.319 -3.535
205 HD22 LEU 28 1HD2 LEU 28 -3.137 0.963 -2.127
206 HD23 LEU 28 2HD2 LEU 28 -2.347 -0.349 -3.001
207 H THR 29 H THR 29 -1.762 0.930 1.696
208 HA THR 29 HA THR 29 -1.432 3.580 1.532
209 HB THR 29 HB THR 29 -1.904 2.127 4.144
210 HG1 THR 29 HG1 THR 29 -3.416 1.561 2.527
211 HG21 THR 29 3HG2 THR 29 -2.262 4.983 3.294
212 HG22 THR 29 1HG2 THR 29 -1.506 4.346 4.754
213 HG23 THR 29 2HG2 THR 29 -3.259 4.284 4.570
214 H GLN 30 H GLN 30 0.243 1.687 4.056
215 HA GLN 30 HA GLN 30 1.875 3.742 4.984
216 HB2 GLN 30 1HB GLN 30 1.992 0.766 5.078
217 HB3 GLN 30 2HB GLN 30 3.436 1.661 5.532
218 HG2 GLN 30 1HG GLN 30 0.716 2.061 6.756
219 HG3 GLN 30 2HG GLN 30 1.997 1.064 7.445
220 HE21 GLN 30 1HE2 GLN 30 4.190 2.366 7.434
221 HE22 GLN 30 2HE2 GLN 30 4.081 3.925 8.170
222 H HIS 31 H HIS 31 2.420 1.398 2.393
223 HA HIS 31 HA HIS 31 5.090 2.039 1.839
224 HB2 HIS 31 1HB HIS 31 4.410 0.097 0.785
225 HB3 HIS 31 2HB HIS 31 2.865 0.781 0.290
226 HD1 HIS 31 HD1 HIS 31 6.300 0.189 -0.871
227 HD2 HIS 31 HD2 HIS 31 3.038 2.488 -2.026
228 HE1 HIS 31 HE1 HIS 31 6.788 0.910 -3.230
229 H GLU 32 H GLU 32 2.178 3.115 0.073
230 HA GLU 32 HA GLU 32 3.119 4.827 -1.734
231 HB2 GLU 32 1HB GLU 32 0.880 5.487 0.189
232 HB3 GLU 32 2HB GLU 32 1.159 6.284 -1.353
233 HG2 GLU 32 1HG GLU 32 0.828 4.114 -2.488
234 HG3 GLU 32 2HG GLU 32 0.433 3.396 -0.928
235 H ARG 33 H ARG 33 3.245 5.343 1.723
236 HA ARG 33 HA ARG 33 3.818 8.040 1.874
237 HB2 ARG 33 1HB ARG 33 4.997 5.799 3.526
238 HB3 ARG 33 2HB ARG 33 5.046 7.503 3.955
239 HG2 ARG 33 1HG ARG 33 2.505 7.439 3.849
240 HG3 ARG 33 2HG ARG 33 2.668 5.682 3.820
241 HD2 ARG 33 1HD ARG 33 2.477 6.012 6.070
242 HD3 ARG 33 2HD ARG 33 4.227 6.145 5.899
243 HE ARG 33 HE ARG 33 2.978 8.677 5.611
244 HH11 ARG 33 1HH1 ARG 33 3.907 6.306 7.985
245 HH12 ARG 33 2HH1 ARG 33 4.066 7.461 9.266
246 HH21 ARG 33 1HH2 ARG 33 3.184 10.207 7.290
247 HH22 ARG 33 2HH2 ARG 33 3.653 9.679 8.870
248 H ILE 34 H ILE 34 6.123 5.359 1.453
249 HA ILE 34 HA ILE 34 8.519 6.581 1.453
250 HB ILE 34 HB ILE 34 9.352 4.978 -0.111
251 HG12 ILE 34 1HG1 ILE 34 6.612 4.073 -0.894
252 HG13 ILE 34 2HG1 ILE 34 7.297 5.485 -1.690
253 HG21 ILE 34 1HG2 ILE 34 7.043 3.701 1.345
254 HG22 ILE 34 2HG2 ILE 34 8.536 2.918 0.828
255 HG23 ILE 34 3HG2 ILE 34 8.577 4.148 2.092
256 HD11 ILE 34 3HD1 ILE 34 7.668 3.408 -2.939
257 HD12 ILE 34 1HD1 ILE 34 9.176 4.183 -2.456
258 HD13 ILE 34 2HD1 ILE 34 8.589 2.771 -1.577
259 H HIS 35 H HIS 35 5.985 7.124 -0.843
260 HA HIS 35 HA HIS 35 7.723 8.565 -2.678
261 HB2 HIS 35 1HB HIS 35 4.717 8.246 -2.772
262 HB3 HIS 35 2HB HIS 35 5.759 8.808 -4.076
263 HD1 HIS 35 HD1 HIS 35 7.817 6.777 -4.439
264 HD2 HIS 35 HD2 HIS 35 3.959 5.723 -3.315
265 HE1 HIS 35 HE1 HIS 35 7.564 4.360 -5.087
266 H THR 36 H THR 36 8.372 10.190 -1.131
267 HA THR 36 HA THR 36 6.311 12.263 -0.739
268 HB THR 36 HB THR 36 7.765 13.034 1.203
269 HG1 THR 36 HG1 THR 36 9.255 11.603 1.996
270 HG21 THR 36 3HG2 THR 36 5.894 10.814 1.049
271 HG22 THR 36 1HG2 THR 36 5.992 12.126 2.223
272 HG23 THR 36 2HG2 THR 36 6.979 10.680 2.432
273 H ARG 37 H ARG 37 6.812 13.304 -2.690
274 HA ARG 37 HA ARG 37 9.534 14.311 -3.033
275 HB2 ARG 37 1HB ARG 37 8.152 13.269 -4.921
276 HB3 ARG 37 2HB ARG 37 7.215 14.757 -4.903
277 HG2 ARG 37 1HG ARG 37 9.604 15.856 -5.109
278 HG3 ARG 37 2HG ARG 37 10.006 14.279 -5.792
279 HD2 ARG 37 1HD ARG 37 8.060 14.555 -7.344
280 HD3 ARG 37 2HD ARG 37 7.895 16.206 -6.745
281 HE ARG 37 HE ARG 37 10.531 15.607 -7.704
282 HH11 ARG 37 1HH1 ARG 37 7.327 16.613 -8.623
283 HH12 ARG 37 2HH1 ARG 37 7.852 17.421 -10.062
284 HH21 ARG 37 1HH2 ARG 37 11.235 16.668 -9.597
285 HH22 ARG 37 2HH2 ARG 37 10.075 17.452 -10.616
286 H GLY 38 H GLY 38 10.088 16.444 -2.929
287 HA2 GLY 38 1HA GLY 38 8.648 18.711 -3.154
288 HA3 GLY 38 2HA GLY 38 8.244 18.181 -1.528
289 H VAL 39 H VAL 39 11.065 18.786 -3.611
290 HA VAL 39 HA VAL 39 12.291 20.372 -1.535
291 HB VAL 39 HB VAL 39 12.961 18.080 -0.893
292 HG11 VAL 39 1HG1 VAL 39 14.579 17.958 -3.418
293 HG12 VAL 39 2HG1 VAL 39 14.216 16.666 -2.272
294 HG13 VAL 39 3HG1 VAL 39 12.950 17.289 -3.330
295 HG21 VAL 39 3HG2 VAL 39 15.529 19.109 -1.834
296 HG22 VAL 39 1HG2 VAL 39 14.518 20.324 -1.051
297 HG23 VAL 39 2HG2 VAL 39 14.946 18.845 -0.191
298 H LYS 40 H LYS 40 13.317 22.016 -2.462
299 HA LYS 40 HA LYS 40 14.106 21.752 -5.286
300 HB2 LYS 40 1HB LYS 40 13.913 24.221 -5.382
301 HB3 LYS 40 2HB LYS 40 12.397 23.433 -4.968
302 HG2 LYS 40 1HG LYS 40 12.563 24.083 -2.705
303 HG3 LYS 40 2HG LYS 40 14.248 24.573 -2.896
304 HD2 LYS 40 1HD LYS 40 13.061 26.589 -2.893
305 HD3 LYS 40 2HD LYS 40 13.363 26.269 -4.603
306 HE2 LYS 40 1HE LYS 40 11.149 25.605 -4.983
307 HE3 LYS 40 2HE LYS 40 10.828 25.378 -3.265
308 HZ1 LYS 40 3HZ LYS 40 9.948 27.474 -4.484
309 HZ2 LYS 40 1HZ LYS 40 11.521 28.055 -4.260
310 HZ3 LYS 40 2HZ LYS 40 10.583 27.619 -2.923
311 H SER 41 H SER 41 16.013 22.990 -5.965
312 HA SER 41 HA SER 41 18.308 23.097 -5.812
313 HB2 SER 41 1HB SER 41 17.276 25.324 -4.948
314 HB3 SER 41 2HB SER 41 17.828 24.777 -3.365
315 HG SER 41 HG SER 41 19.571 25.798 -4.063
316 H GLY 42 H GLY 42 17.423 20.754 -4.602
317 HA2 GLY 42 1HA GLY 42 19.281 20.544 -2.313
318 HA3 GLY 42 2HA GLY 42 17.759 19.669 -2.377
319 HA PRO 43 HA PRO 43 20.617 17.653 -5.724
320 HB2 PRO 43 1HB PRO 43 23.219 18.426 -5.716
321 HB3 PRO 43 2HB PRO 43 21.983 19.226 -6.694
322 HG2 PRO 43 1HG PRO 43 23.132 20.046 -4.054
323 HG3 PRO 43 2HG PRO 43 22.773 21.042 -5.476
324 HD2 PRO 43 1HD PRO 43 21.136 20.933 -3.322
325 HD3 PRO 43 2HD PRO 43 20.528 21.174 -4.973
326 H SER 44 H SER 44 21.492 18.344 -2.475
327 HA SER 44 HA SER 44 23.439 16.327 -2.078
328 HB2 SER 44 1HB SER 44 21.559 17.496 -0.015
329 HB3 SER 44 2HB SER 44 23.105 16.706 0.290
330 HG SER 44 HG SER 44 23.801 18.533 -1.301
331 H SER 45 H SER 45 23.244 14.198 -1.825
332 HA SER 45 HA SER 45 20.802 13.012 -0.827
333 HB2 SER 45 1HB SER 45 20.400 13.298 -3.285
334 HB3 SER 45 2HB SER 45 21.785 12.249 -3.586
335 HG SER 45 HG SER 45 20.700 10.574 -2.569
336 H GLY 46 H GLY 46 21.703 11.839 0.751
337 HA2 GLY 46 1HA GLY 46 24.268 10.806 0.855
338 HA3 GLY 46 2HA GLY 46 22.906 10.163 1.761
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -17.482 -12.924 -29.431
2 HA2 GLY 1 1HA GLY 1 -15.926 -13.936 -27.975
3 HA3 GLY 1 2HA GLY 1 -14.940 -14.366 -29.365
4 H SER 2 H SER 2 -13.010 -13.472 -28.985
5 HA SER 2 HA SER 2 -11.395 -11.901 -28.669
6 HB2 SER 2 1HB SER 2 -12.745 -10.798 -30.531
7 HB3 SER 2 2HB SER 2 -13.490 -9.813 -29.273
8 HG SER 2 HG SER 2 -10.686 -10.002 -29.615
9 H SER 3 H SER 3 -12.686 -12.806 -26.388
10 HA SER 3 HA SER 3 -12.231 -10.554 -24.608
11 HB2 SER 3 1HB SER 3 -14.742 -10.714 -25.249
12 HB3 SER 3 2HB SER 3 -14.757 -12.140 -24.211
13 HG SER 3 HG SER 3 -13.947 -9.528 -23.443
14 H GLY 4 H GLY 4 -12.018 -11.212 -22.353
15 HA2 GLY 4 1HA GLY 4 -12.166 -13.630 -21.186
16 HA3 GLY 4 2HA GLY 4 -10.723 -13.799 -22.174
17 H SER 5 H SER 5 -12.193 -11.860 -19.608
18 HA SER 5 HA SER 5 -9.772 -10.512 -18.924
19 HB2 SER 5 1HB SER 5 -11.044 -9.840 -16.868
20 HB3 SER 5 2HB SER 5 -11.877 -9.467 -18.377
21 HG SER 5 HG SER 5 -13.145 -10.513 -16.648
22 H SER 6 H SER 6 -8.116 -11.867 -18.432
23 HA SER 6 HA SER 6 -8.559 -13.856 -16.311
24 HB2 SER 6 1HB SER 6 -6.279 -13.664 -18.295
25 HB3 SER 6 2HB SER 6 -6.516 -14.949 -17.111
26 HG SER 6 HG SER 6 -8.569 -15.334 -18.199
27 H GLY 7 H GLY 7 -7.306 -13.875 -14.474
28 HA2 GLY 7 1HA GLY 7 -4.972 -12.806 -13.789
29 HA3 GLY 7 2HA GLY 7 -5.964 -11.358 -13.870
30 H GLN 8 H GLN 8 -6.155 -10.766 -11.789
31 HA GLN 8 HA GLN 8 -6.990 -12.802 -9.841
32 HB2 GLN 8 1HB GLN 8 -4.935 -11.600 -9.266
33 HB3 GLN 8 2HB GLN 8 -5.787 -10.066 -9.388
34 HG2 GLN 8 1HG GLN 8 -6.942 -10.394 -7.427
35 HG3 GLN 8 2HG GLN 8 -6.774 -12.148 -7.498
36 HE21 GLN 8 1HE2 GLN 8 -6.159 -10.189 -5.367
37 HE22 GLN 8 2HE2 GLN 8 -4.506 -10.471 -4.952
38 H LYS 9 H LYS 9 -8.906 -12.665 -8.814
39 HA LYS 9 HA LYS 9 -10.822 -10.734 -9.796
40 HB2 LYS 9 1HB LYS 9 -11.020 -13.120 -7.967
41 HB3 LYS 9 2HB LYS 9 -12.380 -12.038 -8.237
42 HG2 LYS 9 1HG LYS 9 -10.932 -13.460 -10.456
43 HG3 LYS 9 2HG LYS 9 -12.356 -14.111 -9.641
44 HD2 LYS 9 1HD LYS 9 -12.501 -11.342 -10.715
45 HD3 LYS 9 2HD LYS 9 -12.547 -12.681 -11.864
46 HE2 LYS 9 1HE LYS 9 -14.776 -12.491 -11.430
47 HE3 LYS 9 2HE LYS 9 -14.330 -13.613 -10.145
48 HZ1 LYS 9 3HZ LYS 9 -13.902 -11.169 -9.039
49 HZ2 LYS 9 1HZ LYS 9 -15.265 -12.138 -8.787
50 HZ3 LYS 9 2HZ LYS 9 -15.298 -10.921 -9.961
51 H GLU 10 H GLU 10 -9.732 -11.754 -6.553
52 HA GLU 10 HA GLU 10 -10.973 -10.037 -4.915
53 HB2 GLU 10 1HB GLU 10 -8.023 -10.690 -4.869
54 HB3 GLU 10 2HB GLU 10 -8.890 -9.942 -3.536
55 HG2 GLU 10 1HG GLU 10 -9.282 -12.697 -4.665
56 HG3 GLU 10 2HG GLU 10 -8.694 -12.257 -3.062
57 H LYS 11 H LYS 11 -10.993 -7.909 -4.391
58 HA LYS 11 HA LYS 11 -10.292 -5.987 -6.272
59 HB2 LYS 11 1HB LYS 11 -11.948 -5.727 -4.397
60 HB3 LYS 11 2HB LYS 11 -10.588 -5.504 -3.304
61 HG2 LYS 11 1HG LYS 11 -10.055 -3.439 -4.167
62 HG3 LYS 11 2HG LYS 11 -10.831 -3.770 -5.718
63 HD2 LYS 11 1HD LYS 11 -13.032 -3.717 -4.558
64 HD3 LYS 11 2HD LYS 11 -12.196 -3.230 -3.082
65 HE2 LYS 11 1HE LYS 11 -12.769 -1.174 -3.887
66 HE3 LYS 11 2HE LYS 11 -11.209 -1.372 -4.683
67 HZ1 LYS 11 3HZ LYS 11 -12.371 -2.164 -6.658
68 HZ2 LYS 11 1HZ LYS 11 -12.879 -0.606 -6.236
69 HZ3 LYS 11 2HZ LYS 11 -13.863 -1.938 -5.892
70 H CYS 12 H CYS 12 -8.222 -5.890 -6.972
71 HA CYS 12 HA CYS 12 -6.001 -5.963 -5.130
72 HB2 CYS 12 1HB CYS 12 -4.614 -5.688 -7.154
73 HB3 CYS 12 2HB CYS 12 -5.765 -7.009 -7.317
74 HG CYS 12 HG CYS 12 -6.673 -3.980 -8.526
75 H PHE 13 H PHE 13 -4.425 -4.278 -4.920
76 HA PHE 13 HA PHE 13 -5.535 -1.588 -5.383
77 HB2 PHE 13 1HB PHE 13 -3.849 -2.545 -3.061
78 HB3 PHE 13 2HB PHE 13 -4.341 -0.876 -3.328
79 HD1 PHE 13 HD1 PHE 13 -6.823 -0.354 -3.352
80 HD2 PHE 13 HD2 PHE 13 -5.232 -4.034 -1.922
81 HE1 PHE 13 HE1 PHE 13 -8.908 -0.770 -2.113
82 HE2 PHE 13 HE2 PHE 13 -7.314 -4.456 -0.682
83 HZ PHE 13 HZ PHE 13 -9.156 -2.824 -0.776
84 H LYS 14 H LYS 14 -4.391 -0.422 -6.763
85 HA LYS 14 HA LYS 14 -1.549 -1.074 -7.153
86 HB2 LYS 14 1HB LYS 14 -2.813 -1.342 -9.179
87 HB3 LYS 14 2HB LYS 14 -3.562 0.237 -8.983
88 HG2 LYS 14 1HG LYS 14 -1.512 1.353 -9.447
89 HG3 LYS 14 2HG LYS 14 -0.609 -0.162 -9.390
90 HD2 LYS 14 1HD LYS 14 -2.843 0.216 -11.351
91 HD3 LYS 14 2HD LYS 14 -1.229 0.844 -11.692
92 HE2 LYS 14 1HE LYS 14 -0.283 -1.276 -11.756
93 HE3 LYS 14 2HE LYS 14 -1.599 -1.999 -10.832
94 HZ1 LYS 14 3HZ LYS 14 -2.568 -2.558 -12.725
95 HZ2 LYS 14 1HZ LYS 14 -1.309 -1.857 -13.611
96 HZ3 LYS 14 2HZ LYS 14 -2.662 -0.934 -13.191
97 H CYS 15 H CYS 15 -0.035 0.646 -7.432
98 HA CYS 15 HA CYS 15 -0.712 2.983 -5.818
99 HB2 CYS 15 1HB CYS 15 1.346 1.618 -5.348
100 HB3 CYS 15 2HB CYS 15 1.994 2.168 -6.890
101 H ASN 16 H ASN 16 -0.480 5.095 -6.520
102 HA ASN 16 HA ASN 16 -0.565 5.430 -9.423
103 HB2 ASN 16 1HB ASN 16 -2.254 6.418 -7.641
104 HB3 ASN 16 2HB ASN 16 -1.042 7.691 -7.526
105 HD21 ASN 16 1HD2 ASN 16 -0.811 9.130 -9.169
106 HD22 ASN 16 2HD2 ASN 16 -1.854 9.188 -10.545
107 H LYS 17 H LYS 17 1.927 4.985 -7.846
108 HA LYS 17 HA LYS 17 3.381 7.337 -8.837
109 HB2 LYS 17 1HB LYS 17 3.609 6.055 -6.122
110 HB3 LYS 17 2HB LYS 17 4.929 6.991 -6.812
111 HG2 LYS 17 1HG LYS 17 2.170 8.132 -6.570
112 HG3 LYS 17 2HG LYS 17 3.310 8.171 -5.223
113 HD2 LYS 17 1HD LYS 17 4.861 9.477 -6.467
114 HD3 LYS 17 2HD LYS 17 3.962 9.232 -7.966
115 HE2 LYS 17 1HE LYS 17 3.361 11.385 -7.321
116 HE3 LYS 17 2HE LYS 17 2.021 10.397 -6.743
117 HZ1 LYS 17 3HZ LYS 17 4.254 10.887 -4.916
118 HZ2 LYS 17 1HZ LYS 17 2.606 10.698 -4.581
119 HZ3 LYS 17 2HZ LYS 17 3.180 12.161 -5.208
120 H CYS 18 H CYS 18 3.965 4.133 -7.371
121 HA CYS 18 HA CYS 18 6.188 3.723 -9.222
122 HB2 CYS 18 1HB CYS 18 6.612 1.683 -7.825
123 HB3 CYS 18 2HB CYS 18 6.692 3.199 -6.934
124 H GLU 19 H GLU 19 2.947 2.646 -8.605
125 HA GLU 19 HA GLU 19 1.516 1.413 -9.889
126 HB2 GLU 19 1HB GLU 19 3.755 0.944 -11.849
127 HB3 GLU 19 2HB GLU 19 2.023 0.912 -12.150
128 HG2 GLU 19 1HG GLU 19 1.893 3.309 -11.809
129 HG3 GLU 19 2HG GLU 19 3.614 3.364 -11.432
130 H LYS 20 H LYS 20 2.957 0.257 -7.783
131 HA LYS 20 HA LYS 20 3.515 -2.460 -8.763
132 HB2 LYS 20 1HB LYS 20 4.561 -0.842 -6.497
133 HB3 LYS 20 2HB LYS 20 4.407 -2.576 -6.246
134 HG2 LYS 20 1HG LYS 20 5.763 -2.922 -8.309
135 HG3 LYS 20 2HG LYS 20 6.030 -1.178 -8.358
136 HD2 LYS 20 1HD LYS 20 6.841 -1.498 -5.909
137 HD3 LYS 20 2HD LYS 20 7.011 -3.193 -6.373
138 HE2 LYS 20 1HE LYS 20 8.167 -1.104 -8.152
139 HE3 LYS 20 2HE LYS 20 9.001 -1.480 -6.645
140 HZ1 LYS 20 3HZ LYS 20 9.780 -2.796 -8.564
141 HZ2 LYS 20 1HZ LYS 20 8.247 -3.502 -8.684
142 HZ3 LYS 20 2HZ LYS 20 9.191 -3.757 -7.303
143 H THR 21 H THR 21 2.070 -3.994 -8.369
144 HA THR 21 HA THR 21 -0.244 -3.447 -6.751
145 HB THR 21 HB THR 21 -0.913 -5.788 -7.380
146 HG1 THR 21 HG1 THR 21 0.879 -6.900 -7.845
147 HG21 THR 21 3HG2 THR 21 -1.348 -3.640 -8.738
148 HG22 THR 21 1HG2 THR 21 -1.578 -5.193 -9.540
149 HG23 THR 21 2HG2 THR 21 -0.113 -4.257 -9.835
150 H PHE 22 H PHE 22 -0.644 -4.081 -4.720
151 HA PHE 22 HA PHE 22 1.368 -5.777 -3.403
152 HB2 PHE 22 1HB PHE 22 -0.474 -3.674 -2.252
153 HB3 PHE 22 2HB PHE 22 0.567 -4.713 -1.285
154 HD1 PHE 22 HD2 PHE 22 0.528 -2.020 -3.799
155 HD2 PHE 22 HD1 PHE 22 2.878 -4.265 -1.051
156 HE1 PHE 22 HE2 PHE 22 2.373 -0.414 -4.070
157 HE2 PHE 22 HE1 PHE 22 4.726 -2.663 -1.317
158 HZ PHE 22 HZ PHE 22 4.476 -0.735 -2.829
159 H SER 23 H SER 23 0.327 -6.818 -1.317
160 HA SER 23 HA SER 23 -1.805 -8.521 -2.309
161 HB2 SER 23 1HB SER 23 0.152 -9.526 -1.186
162 HB3 SER 23 2HB SER 23 -0.256 -8.653 0.291
163 HG SER 23 HG SER 23 -1.477 -10.297 0.724
164 H CYS 24 H CYS 24 -1.220 -6.730 0.723
165 HA CYS 24 HA CYS 24 -4.137 -6.491 1.036
166 HB2 CYS 24 1HB CYS 24 -2.578 -7.633 2.815
167 HB3 CYS 24 2HB CYS 24 -2.216 -5.974 3.274
168 HG CYS 24 HG CYS 24 -4.616 -5.331 4.245
169 H SER 25 H SER 25 -4.691 -4.470 2.446
170 HA SER 25 HA SER 25 -3.811 -2.187 0.928
171 HB2 SER 25 1HB SER 25 -5.446 -0.951 2.387
172 HB3 SER 25 2HB SER 25 -6.147 -2.302 1.497
173 HG SER 25 HG SER 25 -5.669 -2.019 4.231
174 H LYS 26 H LYS 26 -3.838 -2.987 4.404
175 HA LYS 26 HA LYS 26 -2.550 -0.888 5.499
176 HB2 LYS 26 1HB LYS 26 -1.567 -2.436 7.151
177 HB3 LYS 26 2HB LYS 26 -3.256 -2.801 6.820
178 HG2 LYS 26 1HG LYS 26 -2.409 -4.902 6.751
179 HG3 LYS 26 2HG LYS 26 -2.175 -4.455 5.060
180 HD2 LYS 26 1HD LYS 26 -0.105 -5.321 5.617
181 HD3 LYS 26 2HD LYS 26 0.139 -3.594 5.888
182 HE2 LYS 26 1HE LYS 26 1.067 -4.749 7.753
183 HE3 LYS 26 2HE LYS 26 -0.425 -3.983 8.297
184 HZ1 LYS 26 3HZ LYS 26 -1.552 -6.045 8.240
185 HZ2 LYS 26 1HZ LYS 26 -0.091 -6.329 9.044
186 HZ3 LYS 26 2HZ LYS 26 -0.280 -6.816 7.435
187 H TYR 27 H TYR 27 -1.016 -3.494 3.669
188 HA TYR 27 HA TYR 27 1.652 -2.680 4.097
189 HB2 TYR 27 1HB TYR 27 0.319 -4.371 1.995
190 HB3 TYR 27 2HB TYR 27 2.040 -4.010 1.922
191 HD1 TYR 27 HD1 TYR 27 3.271 -4.418 4.295
192 HD2 TYR 27 HD2 TYR 27 -0.267 -6.372 2.966
193 HE1 TYR 27 HE1 TYR 27 3.730 -6.282 5.832
194 HE2 TYR 27 HE2 TYR 27 0.182 -8.241 4.500
195 HH TYR 27 HH TYR 27 1.442 -8.629 6.611
196 H LEU 28 H LEU 28 -0.708 -1.902 1.584
197 HA LEU 28 HA LEU 28 1.111 -0.340 0.028
198 HB2 LEU 28 1HB LEU 28 -0.771 -1.346 -1.053
199 HB3 LEU 28 2HB LEU 28 -1.893 -0.548 0.047
200 HG LEU 28 HG LEU 28 -1.254 1.629 -0.952
201 HD11 LEU 28 1HD1 LEU 28 0.640 -0.109 -2.384
202 HD12 LEU 28 2HD1 LEU 28 0.759 1.597 -1.956
203 HD13 LEU 28 3HD1 LEU 28 -0.178 1.106 -3.367
204 HD21 LEU 28 3HD2 LEU 28 -2.812 -0.465 -2.106
205 HD22 LEU 28 1HD2 LEU 28 -2.081 0.489 -3.396
206 HD23 LEU 28 2HD2 LEU 28 -3.073 1.279 -2.171
207 H THR 29 H THR 29 -1.667 0.533 2.088
208 HA THR 29 HA THR 29 -1.703 3.208 2.014
209 HB THR 29 HB THR 29 -1.720 1.638 4.599
210 HG1 THR 29 HG1 THR 29 -3.550 1.948 2.527
211 HG21 THR 29 3HG2 THR 29 -3.352 3.574 5.182
212 HG22 THR 29 1HG2 THR 29 -2.531 4.431 3.878
213 HG23 THR 29 2HG2 THR 29 -1.614 3.859 5.272
214 H GLN 30 H GLN 30 0.376 1.533 4.386
215 HA GLN 30 HA GLN 30 1.839 3.789 5.140
216 HB2 GLN 30 1HB GLN 30 2.288 0.843 5.324
217 HB3 GLN 30 2HB GLN 30 3.627 1.922 5.692
218 HG2 GLN 30 1HG GLN 30 0.948 2.250 6.992
219 HG3 GLN 30 2HG GLN 30 2.153 1.125 7.618
220 HE21 GLN 30 1HE2 GLN 30 1.142 4.371 7.413
221 HE22 GLN 30 2HE2 GLN 30 2.436 5.077 8.314
222 H HIS 31 H HIS 31 2.490 1.365 2.642
223 HA HIS 31 HA HIS 31 5.029 2.130 1.871
224 HB2 HIS 31 1HB HIS 31 4.340 0.222 0.784
225 HB3 HIS 31 2HB HIS 31 2.728 0.856 0.466
226 HD1 HIS 31 HD1 HIS 31 5.993 0.347 -1.084
227 HD2 HIS 31 HD2 HIS 31 2.669 2.750 -1.747
228 HE1 HIS 31 HE1 HIS 31 6.235 1.195 -3.439
229 H GLU 32 H GLU 32 1.969 3.246 0.409
230 HA GLU 32 HA GLU 32 2.728 5.005 -1.438
231 HB2 GLU 32 1HB GLU 32 0.591 5.185 0.638
232 HB3 GLU 32 2HB GLU 32 0.885 6.586 -0.382
233 HG2 GLU 32 1HG GLU 32 0.515 3.907 -1.635
234 HG3 GLU 32 2HG GLU 32 -0.888 4.808 -1.061
235 H ARG 33 H ARG 33 3.200 5.433 2.003
236 HA ARG 33 HA ARG 33 3.807 8.120 2.163
237 HB2 ARG 33 1HB ARG 33 5.094 5.813 3.633
238 HB3 ARG 33 2HB ARG 33 5.267 7.504 4.085
239 HG2 ARG 33 1HG ARG 33 2.840 7.641 4.438
240 HG3 ARG 33 2HG ARG 33 2.702 5.928 4.036
241 HD2 ARG 33 1HD ARG 33 2.762 5.914 6.355
242 HD3 ARG 33 2HD ARG 33 4.437 5.582 5.914
243 HE ARG 33 HE ARG 33 3.804 8.369 6.365
244 HH11 ARG 33 1HH1 ARG 33 4.968 5.385 7.728
245 HH12 ARG 33 2HH1 ARG 33 5.797 6.155 9.040
246 HH21 ARG 33 1HH2 ARG 33 4.892 9.396 8.087
247 HH22 ARG 33 2HH2 ARG 33 5.752 8.437 9.244
248 H ILE 34 H ILE 34 6.035 5.440 1.438
249 HA ILE 34 HA ILE 34 8.429 6.654 1.230
250 HB ILE 34 HB ILE 34 9.091 5.085 -0.448
251 HG12 ILE 34 1HG1 ILE 34 6.304 4.159 -0.966
252 HG13 ILE 34 2HG1 ILE 34 6.845 5.631 -1.764
253 HG21 ILE 34 1HG2 ILE 34 8.362 3.006 0.526
254 HG22 ILE 34 2HG2 ILE 34 8.554 4.207 1.802
255 HG23 ILE 34 3HG2 ILE 34 6.942 3.788 1.221
256 HD11 ILE 34 3HD1 ILE 34 8.523 4.504 -2.942
257 HD12 ILE 34 1HD1 ILE 34 8.411 3.081 -1.906
258 HD13 ILE 34 2HD1 ILE 34 7.108 3.455 -3.034
259 H HIS 35 H HIS 35 5.678 7.271 -0.774
260 HA HIS 35 HA HIS 35 7.271 8.833 -2.667
261 HB2 HIS 35 1HB HIS 35 4.298 8.298 -2.737
262 HB3 HIS 35 2HB HIS 35 5.299 8.922 -4.045
263 HD1 HIS 35 HD1 HIS 35 7.323 7.095 -4.717
264 HD2 HIS 35 HD2 HIS 35 3.832 5.656 -2.985
265 HE1 HIS 35 HE1 HIS 35 7.246 4.648 -5.293
266 H THR 36 H THR 36 7.821 10.513 -1.191
267 HA THR 36 HA THR 36 5.721 12.530 -0.973
268 HB THR 36 HB THR 36 6.737 13.034 1.399
269 HG1 THR 36 HG1 THR 36 7.575 10.434 0.825
270 HG21 THR 36 3HG2 THR 36 4.824 12.159 2.317
271 HG22 THR 36 1HG2 THR 36 4.937 10.659 1.398
272 HG23 THR 36 2HG2 THR 36 4.380 12.136 0.611
273 H ARG 37 H ARG 37 6.599 14.684 -0.426
274 HA ARG 37 HA ARG 37 9.424 14.966 -1.209
275 HB2 ARG 37 1HB ARG 37 7.103 16.695 -2.087
276 HB3 ARG 37 2HB ARG 37 8.796 17.036 -2.421
277 HG2 ARG 37 1HG ARG 37 7.465 14.495 -3.303
278 HG3 ARG 37 2HG ARG 37 7.453 15.965 -4.279
279 HD2 ARG 37 1HD ARG 37 9.889 15.986 -4.300
280 HD3 ARG 37 2HD ARG 37 9.921 14.545 -3.285
281 HE ARG 37 HE ARG 37 9.387 13.259 -5.124
282 HH11 ARG 37 1HH1 ARG 37 9.087 16.640 -5.897
283 HH12 ARG 37 2HH1 ARG 37 8.934 16.371 -7.601
284 HH21 ARG 37 1HH2 ARG 37 9.186 12.891 -7.366
285 HH22 ARG 37 2HH2 ARG 37 8.990 14.238 -8.436
286 H GLY 38 H GLY 38 6.657 16.457 0.433
287 HA2 GLY 38 1HA GLY 38 8.092 18.571 1.637
288 HA3 GLY 38 2HA GLY 38 6.546 17.939 2.183
289 H VAL 39 H VAL 39 6.887 17.863 4.346
290 HA VAL 39 HA VAL 39 7.865 17.339 6.358
291 HB VAL 39 HB VAL 39 8.350 14.680 5.019
292 HG11 VAL 39 1HG1 VAL 39 9.274 14.615 7.163
293 HG12 VAL 39 2HG1 VAL 39 7.969 15.582 7.855
294 HG13 VAL 39 3HG1 VAL 39 7.670 13.912 7.369
295 HG21 VAL 39 3HG2 VAL 39 6.030 15.726 4.663
296 HG22 VAL 39 1HG2 VAL 39 6.110 14.088 5.312
297 HG23 VAL 39 2HG2 VAL 39 5.793 15.449 6.388
298 H LYS 40 H LYS 40 9.687 18.806 5.169
299 HA LYS 40 HA LYS 40 12.211 17.336 5.557
300 HB2 LYS 40 1HB LYS 40 11.523 19.444 3.515
301 HB3 LYS 40 2HB LYS 40 13.186 19.058 3.936
302 HG2 LYS 40 1HG LYS 40 12.449 16.612 3.393
303 HG3 LYS 40 2HG LYS 40 11.167 17.417 2.485
304 HD2 LYS 40 1HD LYS 40 14.008 18.274 2.120
305 HD3 LYS 40 2HD LYS 40 13.423 16.817 1.314
306 HE2 LYS 40 1HE LYS 40 13.027 18.447 -0.276
307 HE3 LYS 40 2HE LYS 40 11.468 18.338 0.541
308 HZ1 LYS 40 3HZ LYS 40 12.021 20.276 1.836
309 HZ2 LYS 40 1HZ LYS 40 12.190 20.637 0.192
310 HZ3 LYS 40 2HZ LYS 40 13.561 20.358 1.142
311 H SER 41 H SER 41 14.028 18.693 6.263
312 HA SER 41 HA SER 41 13.270 20.340 8.456
313 HB2 SER 41 1HB SER 41 15.992 19.889 7.209
314 HB3 SER 41 2HB SER 41 15.701 20.668 8.764
315 HG SER 41 HG SER 41 15.725 18.735 9.564
316 H GLY 42 H GLY 42 12.813 22.436 8.466
317 HA2 GLY 42 1HA GLY 42 12.583 24.077 6.298
318 HA3 GLY 42 2HA GLY 42 12.870 24.676 7.925
319 HA PRO 43 HA PRO 43 16.518 25.433 4.933
320 HB2 PRO 43 1HB PRO 43 16.033 28.030 4.311
321 HB3 PRO 43 2HB PRO 43 15.422 26.682 3.346
322 HG2 PRO 43 1HG PRO 43 14.013 28.319 5.419
323 HG3 PRO 43 2HG PRO 43 13.424 27.764 3.841
324 HD2 PRO 43 1HD PRO 43 12.765 26.530 6.159
325 HD3 PRO 43 2HD PRO 43 12.936 25.652 4.625
326 H SER 44 H SER 44 15.288 26.369 7.841
327 HA SER 44 HA SER 44 16.758 28.590 8.633
328 HB2 SER 44 1HB SER 44 16.515 27.665 10.955
329 HB3 SER 44 2HB SER 44 15.005 27.728 10.046
330 HG SER 44 HG SER 44 15.349 25.486 9.558
331 H SER 45 H SER 45 18.567 28.547 10.279
332 HA SER 45 HA SER 45 20.851 27.365 9.106
333 HB2 SER 45 1HB SER 45 22.028 28.211 11.161
334 HB3 SER 45 2HB SER 45 21.086 29.437 10.311
335 HG SER 45 HG SER 45 19.885 29.653 12.016
336 H GLY 46 H GLY 46 21.190 25.236 9.115
337 HA2 GLY 46 1HA GLY 46 20.931 23.825 11.696
338 HA3 GLY 46 2HA GLY 46 20.358 23.103 10.200
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -12.910 -3.514 -29.481
2 HA2 GLY 1 1HA GLY 1 -14.239 -5.602 -29.421
3 HA3 GLY 1 2HA GLY 1 -12.850 -6.392 -30.152
4 H SER 2 H SER 2 -12.997 -4.071 -27.471
5 HA SER 2 HA SER 2 -11.674 -6.095 -25.787
6 HB2 SER 2 1HB SER 2 -11.475 -3.079 -25.768
7 HB3 SER 2 2HB SER 2 -10.840 -4.096 -24.475
8 HG SER 2 HG SER 2 -10.066 -4.077 -27.202
9 H SER 3 H SER 3 -13.387 -7.042 -24.780
10 HA SER 3 HA SER 3 -14.653 -5.565 -22.676
11 HB2 SER 3 1HB SER 3 -16.952 -5.839 -23.379
12 HB3 SER 3 2HB SER 3 -16.078 -4.981 -24.648
13 HG SER 3 HG SER 3 -17.037 -7.620 -24.612
14 H GLY 4 H GLY 4 -16.125 -6.982 -21.378
15 HA2 GLY 4 1HA GLY 4 -16.864 -9.169 -20.762
16 HA3 GLY 4 2HA GLY 4 -15.587 -9.846 -21.761
17 H SER 5 H SER 5 -15.537 -7.388 -19.187
18 HA SER 5 HA SER 5 -13.131 -7.925 -18.074
19 HB2 SER 5 1HB SER 5 -14.043 -7.111 -15.917
20 HB3 SER 5 2HB SER 5 -14.558 -6.113 -17.277
21 HG SER 5 HG SER 5 -16.450 -6.462 -16.383
22 H SER 6 H SER 6 -12.177 -9.509 -16.953
23 HA SER 6 HA SER 6 -13.863 -11.646 -15.835
24 HB2 SER 6 1HB SER 6 -11.436 -11.906 -17.600
25 HB3 SER 6 2HB SER 6 -11.938 -13.212 -16.527
26 HG SER 6 HG SER 6 -14.114 -12.659 -17.679
27 H GLY 7 H GLY 7 -13.627 -10.866 -13.740
28 HA2 GLY 7 1HA GLY 7 -12.149 -11.733 -11.866
29 HA3 GLY 7 2HA GLY 7 -10.872 -10.843 -12.681
30 H GLN 8 H GLN 8 -14.249 -9.963 -12.005
31 HA GLN 8 HA GLN 8 -13.349 -7.402 -10.974
32 HB2 GLN 8 1HB GLN 8 -15.701 -6.784 -10.982
33 HB3 GLN 8 2HB GLN 8 -15.259 -7.501 -12.526
34 HG2 GLN 8 1HG GLN 8 -17.219 -8.578 -12.170
35 HG3 GLN 8 2HG GLN 8 -16.130 -9.698 -11.353
36 HE21 GLN 8 1HE2 GLN 8 -17.756 -10.462 -10.013
37 HE22 GLN 8 2HE2 GLN 8 -18.392 -9.526 -8.707
38 H LYS 9 H LYS 9 -15.117 -10.249 -9.832
39 HA LYS 9 HA LYS 9 -15.975 -9.573 -7.374
40 HB2 LYS 9 1HB LYS 9 -14.394 -12.078 -7.987
41 HB3 LYS 9 2HB LYS 9 -15.491 -11.862 -6.629
42 HG2 LYS 9 1HG LYS 9 -17.380 -11.756 -8.060
43 HG3 LYS 9 2HG LYS 9 -16.362 -11.647 -9.499
44 HD2 LYS 9 1HD LYS 9 -15.437 -13.946 -8.612
45 HD3 LYS 9 2HD LYS 9 -16.996 -14.004 -7.785
46 HE2 LYS 9 1HE LYS 9 -16.681 -13.511 -10.741
47 HE3 LYS 9 2HE LYS 9 -16.942 -15.107 -10.039
48 HZ1 LYS 9 3HZ LYS 9 -18.811 -13.002 -9.275
49 HZ2 LYS 9 1HZ LYS 9 -19.089 -14.647 -9.558
50 HZ3 LYS 9 2HZ LYS 9 -18.922 -13.581 -10.860
51 H GLU 10 H GLU 10 -12.621 -10.578 -8.053
52 HA GLU 10 HA GLU 10 -11.780 -9.730 -5.411
53 HB2 GLU 10 1HB GLU 10 -10.281 -10.929 -7.742
54 HB3 GLU 10 2HB GLU 10 -9.513 -10.471 -6.229
55 HG2 GLU 10 1HG GLU 10 -10.011 -12.866 -6.347
56 HG3 GLU 10 2HG GLU 10 -10.844 -12.068 -5.015
57 H LYS 11 H LYS 11 -10.277 -8.092 -4.985
58 HA LYS 11 HA LYS 11 -9.860 -6.159 -7.168
59 HB2 LYS 11 1HB LYS 11 -10.124 -4.344 -5.500
60 HB3 LYS 11 2HB LYS 11 -11.594 -5.284 -5.724
61 HG2 LYS 11 1HG LYS 11 -10.761 -6.625 -3.675
62 HG3 LYS 11 2HG LYS 11 -9.728 -5.223 -3.391
63 HD2 LYS 11 1HD LYS 11 -12.614 -4.748 -3.926
64 HD3 LYS 11 2HD LYS 11 -12.160 -5.405 -2.351
65 HE2 LYS 11 1HE LYS 11 -10.438 -3.494 -2.292
66 HE3 LYS 11 2HE LYS 11 -11.388 -2.788 -3.598
67 HZ1 LYS 11 3HZ LYS 11 -13.304 -2.732 -2.190
68 HZ2 LYS 11 1HZ LYS 11 -12.025 -1.993 -1.366
69 HZ3 LYS 11 2HZ LYS 11 -12.498 -3.564 -0.957
70 H CYS 12 H CYS 12 -7.874 -5.209 -7.297
71 HA CYS 12 HA CYS 12 -5.879 -6.068 -5.306
72 HB2 CYS 12 1HB CYS 12 -5.803 -6.943 -7.784
73 HB3 CYS 12 2HB CYS 12 -5.113 -5.358 -8.112
74 HG CYS 12 HG CYS 12 -3.432 -7.886 -7.451
75 H PHE 13 H PHE 13 -4.799 -4.520 -4.270
76 HA PHE 13 HA PHE 13 -5.368 -1.756 -4.873
77 HB2 PHE 13 1HB PHE 13 -3.518 -2.871 -2.757
78 HB3 PHE 13 2HB PHE 13 -4.205 -1.251 -2.817
79 HD1 PHE 13 HD2 PHE 13 -4.938 -4.804 -2.226
80 HD2 PHE 13 HD1 PHE 13 -6.423 -0.818 -2.068
81 HE1 PHE 13 HE2 PHE 13 -6.856 -5.575 -0.892
82 HE2 PHE 13 HE1 PHE 13 -8.343 -1.583 -0.733
83 HZ PHE 13 HZ PHE 13 -8.562 -3.964 -0.144
84 H LYS 14 H LYS 14 -4.330 -0.990 -6.624
85 HA LYS 14 HA LYS 14 -1.437 -1.475 -6.852
86 HB2 LYS 14 1HB LYS 14 -3.178 -2.001 -8.749
87 HB3 LYS 14 2HB LYS 14 -3.071 -0.272 -9.053
88 HG2 LYS 14 1HG LYS 14 -0.791 -0.401 -9.603
89 HG3 LYS 14 2HG LYS 14 -0.637 -2.023 -8.924
90 HD2 LYS 14 1HD LYS 14 -1.964 -2.954 -10.690
91 HD3 LYS 14 2HD LYS 14 -2.364 -1.348 -11.303
92 HE2 LYS 14 1HE LYS 14 -0.680 -1.884 -12.742
93 HE3 LYS 14 2HE LYS 14 0.272 -1.152 -11.452
94 HZ1 LYS 14 3HZ LYS 14 1.006 -3.405 -12.381
95 HZ2 LYS 14 1HZ LYS 14 -0.263 -4.053 -11.468
96 HZ3 LYS 14 2HZ LYS 14 0.986 -3.208 -10.702
97 H CYS 15 H CYS 15 -0.019 0.170 -6.738
98 HA CYS 15 HA CYS 15 -0.905 2.699 -5.760
99 HB2 CYS 15 1HB CYS 15 1.353 1.372 -5.380
100 HB3 CYS 15 2HB CYS 15 1.875 2.304 -6.779
101 H ASN 16 H ASN 16 0.349 4.701 -6.815
102 HA ASN 16 HA ASN 16 -0.383 4.697 -9.670
103 HB2 ASN 16 1HB ASN 16 -1.887 6.116 -8.405
104 HB3 ASN 16 2HB ASN 16 -0.528 6.947 -7.653
105 HD21 ASN 16 1HD2 ASN 16 -1.339 8.923 -8.423
106 HD22 ASN 16 2HD2 ASN 16 -1.144 9.390 -10.075
107 H LYS 17 H LYS 17 1.663 6.500 -7.368
108 HA LYS 17 HA LYS 17 3.401 7.644 -9.186
109 HB2 LYS 17 1HB LYS 17 4.120 6.624 -6.431
110 HB3 LYS 17 2HB LYS 17 4.987 7.852 -7.345
111 HG2 LYS 17 1HG LYS 17 2.109 8.309 -6.776
112 HG3 LYS 17 2HG LYS 17 3.264 8.481 -5.452
113 HD2 LYS 17 1HD LYS 17 3.308 10.614 -6.263
114 HD3 LYS 17 2HD LYS 17 4.572 9.901 -7.268
115 HE2 LYS 17 1HE LYS 17 3.065 9.636 -9.099
116 HE3 LYS 17 2HE LYS 17 1.681 10.069 -8.097
117 HZ1 LYS 17 3HZ LYS 17 3.071 12.257 -7.797
118 HZ2 LYS 17 1HZ LYS 17 2.061 12.039 -9.137
119 HZ3 LYS 17 2HZ LYS 17 3.727 11.791 -9.284
120 H CYS 18 H CYS 18 3.733 4.513 -7.528
121 HA CYS 18 HA CYS 18 5.960 3.835 -9.305
122 HB2 CYS 18 1HB CYS 18 6.374 1.966 -7.781
123 HB3 CYS 18 2HB CYS 18 6.302 3.486 -6.895
124 H GLU 19 H GLU 19 2.712 2.827 -8.415
125 HA GLU 19 HA GLU 19 1.176 1.567 -9.536
126 HB2 GLU 19 1HB GLU 19 3.189 1.239 -11.756
127 HB3 GLU 19 2HB GLU 19 1.439 1.109 -11.858
128 HG2 GLU 19 1HG GLU 19 1.206 3.483 -11.455
129 HG3 GLU 19 2HG GLU 19 2.950 3.640 -11.253
130 H LYS 20 H LYS 20 2.692 0.359 -7.616
131 HA LYS 20 HA LYS 20 3.342 -2.282 -8.741
132 HB2 LYS 20 1HB LYS 20 4.332 -0.792 -6.334
133 HB3 LYS 20 2HB LYS 20 4.416 -2.549 -6.373
134 HG2 LYS 20 1HG LYS 20 5.815 -2.497 -8.321
135 HG3 LYS 20 2HG LYS 20 5.620 -0.749 -8.464
136 HD2 LYS 20 1HD LYS 20 6.926 -0.331 -6.570
137 HD3 LYS 20 2HD LYS 20 6.764 -1.988 -5.982
138 HE2 LYS 20 1HE LYS 20 8.894 -2.062 -6.814
139 HE3 LYS 20 2HE LYS 20 7.987 -2.554 -8.243
140 HZ1 LYS 20 3HZ LYS 20 8.736 -0.795 -9.335
141 HZ2 LYS 20 1HZ LYS 20 9.736 -0.426 -8.021
142 HZ3 LYS 20 2HZ LYS 20 8.197 0.266 -8.133
143 H THR 21 H THR 21 2.193 -4.028 -8.159
144 HA THR 21 HA THR 21 -0.223 -3.653 -6.650
145 HB THR 21 HB THR 21 -0.625 -6.059 -7.107
146 HG1 THR 21 HG1 THR 21 1.100 -7.216 -7.489
147 HG21 THR 21 3HG2 THR 21 0.283 -4.615 -9.594
148 HG22 THR 21 1HG2 THR 21 -1.210 -4.233 -8.737
149 HG23 THR 21 2HG2 THR 21 -0.988 -5.829 -9.455
150 H PHE 22 H PHE 22 -0.816 -4.702 -4.729
151 HA PHE 22 HA PHE 22 1.392 -5.869 -3.174
152 HB2 PHE 22 1HB PHE 22 -0.646 -3.868 -2.176
153 HB3 PHE 22 2HB PHE 22 0.530 -4.702 -1.165
154 HD1 PHE 22 HD2 PHE 22 0.096 -2.197 -3.821
155 HD2 PHE 22 HD1 PHE 22 2.804 -4.011 -1.084
156 HE1 PHE 22 HE2 PHE 22 1.733 -0.415 -4.265
157 HE2 PHE 22 HE1 PHE 22 4.445 -2.232 -1.523
158 HZ PHE 22 HZ PHE 22 3.912 -0.431 -3.117
159 H SER 23 H SER 23 0.414 -6.864 -1.059
160 HA SER 23 HA SER 23 -1.724 -8.653 -1.943
161 HB2 SER 23 1HB SER 23 0.259 -8.831 0.332
162 HB3 SER 23 2HB SER 23 -1.037 -9.999 0.079
163 HG SER 23 HG SER 23 0.747 -9.375 -2.007
164 H CYS 24 H CYS 24 -0.847 -6.640 0.851
165 HA CYS 24 HA CYS 24 -3.684 -6.660 1.647
166 HB2 CYS 24 1HB CYS 24 -1.228 -6.242 3.364
167 HB3 CYS 24 2HB CYS 24 -2.889 -6.136 3.935
168 HG CYS 24 HG CYS 24 -1.061 -8.874 3.167
169 H SER 25 H SER 25 -4.513 -4.677 2.596
170 HA SER 25 HA SER 25 -3.862 -2.406 1.026
171 HB2 SER 25 1HB SER 25 -6.137 -2.753 1.809
172 HB3 SER 25 2HB SER 25 -5.605 -2.665 3.488
173 HG SER 25 HG SER 25 -4.871 -0.494 1.987
174 H LYS 26 H LYS 26 -3.566 -2.992 4.531
175 HA LYS 26 HA LYS 26 -2.415 -0.712 5.406
176 HB2 LYS 26 1HB LYS 26 -2.869 -2.676 6.829
177 HB3 LYS 26 2HB LYS 26 -1.477 -3.494 6.132
178 HG2 LYS 26 1HG LYS 26 -0.213 -1.345 6.975
179 HG3 LYS 26 2HG LYS 26 -1.585 -1.256 8.082
180 HD2 LYS 26 1HD LYS 26 -0.028 -3.797 7.719
181 HD3 LYS 26 2HD LYS 26 0.503 -2.544 8.844
182 HE2 LYS 26 1HE LYS 26 -2.304 -3.586 8.930
183 HE3 LYS 26 2HE LYS 26 -0.995 -4.475 9.707
184 HZ1 LYS 26 3HZ LYS 26 -0.683 -1.863 10.508
185 HZ2 LYS 26 1HZ LYS 26 -1.282 -3.143 11.439
186 HZ3 LYS 26 2HZ LYS 26 -2.349 -2.140 10.593
187 H TYR 27 H TYR 27 -0.523 -3.448 4.113
188 HA TYR 27 HA TYR 27 1.985 -2.375 4.161
189 HB2 TYR 27 1HB TYR 27 0.644 -4.238 2.233
190 HB3 TYR 27 2HB TYR 27 2.295 -3.708 1.932
191 HD1 TYR 27 HD2 TYR 27 0.231 -5.113 4.717
192 HD2 TYR 27 HD1 TYR 27 4.006 -5.016 2.757
193 HE1 TYR 27 HE2 TYR 27 1.061 -6.854 6.242
194 HE2 TYR 27 HE1 TYR 27 4.846 -6.759 4.277
195 HH TYR 27 HH TYR 27 2.727 -8.347 6.600
196 H LEU 28 H LEU 28 -0.494 -1.854 1.685
197 HA LEU 28 HA LEU 28 1.133 -0.219 0.022
198 HB2 LEU 28 1HB LEU 28 -0.749 -1.317 -0.939
199 HB3 LEU 28 2HB LEU 28 -1.846 -0.589 0.233
200 HG LEU 28 HG LEU 28 -1.450 1.613 -0.803
201 HD11 LEU 28 1HD1 LEU 28 -0.168 1.914 -2.733
202 HD12 LEU 28 2HD1 LEU 28 -0.051 0.181 -3.036
203 HD13 LEU 28 3HD1 LEU 28 0.837 0.902 -1.695
204 HD21 LEU 28 3HD2 LEU 28 -2.347 -0.525 -2.733
205 HD22 LEU 28 1HD2 LEU 28 -2.719 1.196 -2.842
206 HD23 LEU 28 2HD2 LEU 28 -3.349 0.242 -1.499
207 H THR 29 H THR 29 -1.178 0.441 2.605
208 HA THR 29 HA THR 29 -1.415 3.195 2.345
209 HB THR 29 HB THR 29 -1.369 1.592 4.909
210 HG1 THR 29 HG1 THR 29 -3.651 2.496 3.488
211 HG21 THR 29 3HG2 THR 29 -2.135 4.418 4.280
212 HG22 THR 29 1HG2 THR 29 -1.190 3.793 5.631
213 HG23 THR 29 2HG2 THR 29 -2.937 3.550 5.589
214 H GLN 30 H GLN 30 0.818 1.454 4.521
215 HA GLN 30 HA GLN 30 2.266 3.733 5.299
216 HB2 GLN 30 1HB GLN 30 2.222 1.425 6.398
217 HB3 GLN 30 2HB GLN 30 3.405 0.946 5.188
218 HG2 GLN 30 1HG GLN 30 4.672 1.510 7.057
219 HG3 GLN 30 2HG GLN 30 4.793 2.917 6.003
220 HE21 GLN 30 1HE2 GLN 30 4.695 2.208 9.069
221 HE22 GLN 30 2HE2 GLN 30 3.744 3.503 9.704
222 H HIS 31 H HIS 31 2.673 1.482 2.629
223 HA HIS 31 HA HIS 31 5.234 2.280 1.802
224 HB2 HIS 31 1HB HIS 31 4.561 0.329 0.771
225 HB3 HIS 31 2HB HIS 31 2.923 0.915 0.493
226 HD1 HIS 31 HD1 HIS 31 6.301 0.776 -1.039
227 HD2 HIS 31 HD2 HIS 31 2.602 2.491 -1.840
228 HE1 HIS 31 HE1 HIS 31 6.415 1.533 -3.434
229 H GLU 32 H GLU 32 2.092 3.205 0.377
230 HA GLU 32 HA GLU 32 2.741 5.017 -1.463
231 HB2 GLU 32 1HB GLU 32 0.581 5.066 0.604
232 HB3 GLU 32 2HB GLU 32 0.775 6.454 -0.457
233 HG2 GLU 32 1HG GLU 32 0.582 3.700 -1.597
234 HG3 GLU 32 2HG GLU 32 -0.869 4.573 -1.107
235 H ARG 33 H ARG 33 3.159 5.462 1.980
236 HA ARG 33 HA ARG 33 3.562 8.187 2.157
237 HB2 ARG 33 1HB ARG 33 5.060 6.007 3.623
238 HB3 ARG 33 2HB ARG 33 5.001 7.698 4.102
239 HG2 ARG 33 1HG ARG 33 2.519 7.467 4.307
240 HG3 ARG 33 2HG ARG 33 2.726 5.734 4.044
241 HD2 ARG 33 1HD ARG 33 2.616 6.085 6.395
242 HD3 ARG 33 2HD ARG 33 4.293 5.717 5.997
243 HE ARG 33 HE ARG 33 4.308 8.387 5.952
244 HH11 ARG 33 1HH1 ARG 33 2.998 6.136 8.263
245 HH12 ARG 33 2HH1 ARG 33 3.226 7.193 9.617
246 HH21 ARG 33 1HH2 ARG 33 4.613 9.787 7.727
247 HH22 ARG 33 2HH2 ARG 33 4.144 9.270 9.311
248 H ILE 34 H ILE 34 5.984 5.684 1.426
249 HA ILE 34 HA ILE 34 8.283 7.073 1.241
250 HB ILE 34 HB ILE 34 9.068 5.570 -0.445
251 HG12 ILE 34 1HG1 ILE 34 6.360 4.437 -0.977
252 HG13 ILE 34 2HG1 ILE 34 6.788 5.952 -1.765
253 HG21 ILE 34 1HG2 ILE 34 8.542 3.453 0.534
254 HG22 ILE 34 2HG2 ILE 34 8.547 4.660 1.818
255 HG23 ILE 34 3HG2 ILE 34 7.017 4.068 1.171
256 HD11 ILE 34 3HD1 ILE 34 8.437 3.444 -1.932
257 HD12 ILE 34 1HD1 ILE 34 7.228 3.923 -3.123
258 HD13 ILE 34 2HD1 ILE 34 8.650 4.932 -2.854
259 H HIS 35 H HIS 35 5.505 7.499 -0.773
260 HA HIS 35 HA HIS 35 6.948 9.076 -2.744
261 HB2 HIS 35 1HB HIS 35 3.976 8.566 -2.502
262 HB3 HIS 35 2HB HIS 35 4.809 9.261 -3.890
263 HD1 HIS 35 HD1 HIS 35 6.983 7.385 -4.527
264 HD2 HIS 35 HD2 HIS 35 3.299 6.043 -3.154
265 HE1 HIS 35 HE1 HIS 35 6.815 4.993 -5.283
266 H THR 36 H THR 36 4.002 9.705 -0.833
267 HA THR 36 HA THR 36 4.132 12.495 -1.065
268 HB THR 36 HB THR 36 2.039 11.623 -0.440
269 HG1 THR 36 HG1 THR 36 2.092 13.436 0.721
270 HG21 THR 36 3HG2 THR 36 3.508 10.220 1.786
271 HG22 THR 36 1HG2 THR 36 2.608 9.495 0.455
272 HG23 THR 36 2HG2 THR 36 1.751 10.358 1.731
273 H ARG 37 H ARG 37 5.543 13.875 -0.232
274 HA ARG 37 HA ARG 37 6.914 13.148 2.273
275 HB2 ARG 37 1HB ARG 37 8.693 14.762 1.470
276 HB3 ARG 37 2HB ARG 37 8.542 13.268 0.554
277 HG2 ARG 37 1HG ARG 37 7.294 14.430 -1.175
278 HG3 ARG 37 2HG ARG 37 7.379 15.928 -0.247
279 HD2 ARG 37 1HD ARG 37 9.845 15.833 -0.396
280 HD3 ARG 37 2HD ARG 37 9.703 14.395 -1.406
281 HE ARG 37 HE ARG 37 8.224 16.146 -2.771
282 HH11 ARG 37 1HH1 ARG 37 11.381 16.444 -1.336
283 HH12 ARG 37 2HH1 ARG 37 11.947 17.593 -2.503
284 HH21 ARG 37 1HH2 ARG 37 8.956 17.658 -4.314
285 HH22 ARG 37 2HH2 ARG 37 10.566 18.283 -4.196
286 H GLY 38 H GLY 38 5.179 14.065 3.509
287 HA2 GLY 38 1HA GLY 38 5.245 17.020 3.521
288 HA3 GLY 38 2HA GLY 38 3.762 16.115 3.788
289 H VAL 39 H VAL 39 4.441 17.933 5.645
290 HA VAL 39 HA VAL 39 5.597 16.358 7.851
291 HB VAL 39 HB VAL 39 5.401 19.361 7.576
292 HG11 VAL 39 1HG1 VAL 39 7.123 18.901 9.623
293 HG12 VAL 39 2HG1 VAL 39 5.409 19.272 9.823
294 HG13 VAL 39 3HG1 VAL 39 5.960 17.596 9.856
295 HG21 VAL 39 3HG2 VAL 39 7.529 17.382 7.010
296 HG22 VAL 39 1HG2 VAL 39 7.189 18.935 6.247
297 HG23 VAL 39 2HG2 VAL 39 8.020 18.879 7.801
298 H LYS 40 H LYS 40 3.897 15.387 8.809
299 HA LYS 40 HA LYS 40 1.388 16.778 9.189
300 HB2 LYS 40 1HB LYS 40 1.537 14.332 8.651
301 HB3 LYS 40 2HB LYS 40 2.222 14.074 10.250
302 HG2 LYS 40 1HG LYS 40 -0.027 13.553 10.508
303 HG3 LYS 40 2HG LYS 40 0.098 15.199 11.133
304 HD2 LYS 40 1HD LYS 40 -1.739 15.436 9.795
305 HD3 LYS 40 2HD LYS 40 -0.473 15.811 8.624
306 HE2 LYS 40 1HE LYS 40 -0.514 13.289 8.102
307 HE3 LYS 40 2HE LYS 40 -2.066 13.289 8.940
308 HZ1 LYS 40 3HZ LYS 40 -2.628 15.204 7.352
309 HZ2 LYS 40 1HZ LYS 40 -2.637 13.627 6.739
310 HZ3 LYS 40 2HZ LYS 40 -1.324 14.647 6.430
311 H SER 41 H SER 41 2.132 18.509 10.528
312 HA SER 41 HA SER 41 3.418 18.109 13.012
313 HB2 SER 41 1HB SER 41 1.710 20.407 12.029
314 HB3 SER 41 2HB SER 41 2.669 20.439 13.509
315 HG SER 41 HG SER 41 3.973 19.704 11.162
316 H GLY 42 H GLY 42 2.310 16.432 14.075
317 HA2 GLY 42 1HA GLY 42 0.721 16.847 16.129
318 HA3 GLY 42 2HA GLY 42 -0.472 16.928 14.841
319 HA PRO 43 HA PRO 43 -0.315 12.540 16.229
320 HB2 PRO 43 1HB PRO 43 -2.997 12.161 16.044
321 HB3 PRO 43 2HB PRO 43 -2.220 12.843 17.477
322 HG2 PRO 43 1HG PRO 43 -3.625 14.245 15.236
323 HG3 PRO 43 2HG PRO 43 -3.722 14.547 16.981
324 HD2 PRO 43 1HD PRO 43 -2.209 16.061 15.323
325 HD3 PRO 43 2HD PRO 43 -1.755 15.748 17.010
326 H SER 44 H SER 44 -1.148 10.591 15.095
327 HA SER 44 HA SER 44 -1.162 11.052 12.193
328 HB2 SER 44 1HB SER 44 -0.439 8.680 12.022
329 HB3 SER 44 2HB SER 44 0.681 9.662 12.966
330 HG SER 44 HG SER 44 -0.548 7.449 13.708
331 H SER 45 H SER 45 -2.844 10.453 10.961
332 HA SER 45 HA SER 45 -4.851 8.622 12.024
333 HB2 SER 45 1HB SER 45 -6.701 10.130 11.576
334 HB3 SER 45 2HB SER 45 -5.573 10.915 12.680
335 HG SER 45 HG SER 45 -5.186 11.331 9.954
336 H GLY 46 H GLY 46 -6.679 8.429 10.231
337 HA2 GLY 46 1HA GLY 46 -5.527 8.575 7.546
338 HA3 GLY 46 2HA GLY 46 -5.940 6.981 8.159
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -12.405 -1.711 -32.378
2 HA2 GLY 1 1HA GLY 1 -14.162 -0.295 -30.907
3 HA3 GLY 1 2HA GLY 1 -14.908 -1.885 -30.930
4 H SER 2 H SER 2 -14.411 -1.137 -28.515
5 HA SER 2 HA SER 2 -11.820 -2.330 -27.774
6 HB2 SER 2 1HB SER 2 -13.413 -0.104 -26.530
7 HB3 SER 2 2HB SER 2 -12.254 -1.024 -25.570
8 HG SER 2 HG SER 2 -11.795 0.952 -27.325
9 H SER 3 H SER 3 -12.539 -4.448 -27.640
10 HA SER 3 HA SER 3 -14.881 -5.357 -26.455
11 HB2 SER 3 1HB SER 3 -13.608 -7.516 -26.121
12 HB3 SER 3 2HB SER 3 -13.567 -6.874 -27.763
13 HG SER 3 HG SER 3 -11.519 -7.473 -26.226
14 H GLY 4 H GLY 4 -11.675 -4.882 -24.990
15 HA2 GLY 4 1HA GLY 4 -11.343 -4.090 -22.785
16 HA3 GLY 4 2HA GLY 4 -12.983 -4.580 -22.388
17 H SER 5 H SER 5 -9.965 -6.108 -23.524
18 HA SER 5 HA SER 5 -10.555 -8.613 -22.335
19 HB2 SER 5 1HB SER 5 -8.041 -7.391 -23.458
20 HB3 SER 5 2HB SER 5 -8.032 -8.989 -22.712
21 HG SER 5 HG SER 5 -9.246 -8.128 -25.083
22 H SER 6 H SER 6 -11.110 -8.152 -20.174
23 HA SER 6 HA SER 6 -8.836 -8.097 -18.389
24 HB2 SER 6 1HB SER 6 -9.438 -5.675 -18.799
25 HB3 SER 6 2HB SER 6 -10.992 -6.006 -18.034
26 HG SER 6 HG SER 6 -8.703 -6.780 -16.652
27 H GLY 7 H GLY 7 -9.284 -8.940 -16.345
28 HA2 GLY 7 1HA GLY 7 -12.009 -9.578 -15.603
29 HA3 GLY 7 2HA GLY 7 -11.034 -10.970 -16.052
30 H GLN 8 H GLN 8 -10.924 -8.103 -13.943
31 HA GLN 8 HA GLN 8 -9.235 -9.583 -12.070
32 HB2 GLN 8 1HB GLN 8 -9.935 -6.684 -12.408
33 HB3 GLN 8 2HB GLN 8 -9.270 -7.267 -10.887
34 HG2 GLN 8 1HG GLN 8 -7.219 -7.735 -11.801
35 HG3 GLN 8 2HG GLN 8 -7.869 -7.930 -13.429
36 HE21 GLN 8 1HE2 GLN 8 -5.741 -6.521 -13.475
37 HE22 GLN 8 2HE2 GLN 8 -6.032 -4.820 -13.567
38 H LYS 9 H LYS 9 -10.718 -11.004 -11.158
39 HA LYS 9 HA LYS 9 -13.243 -10.241 -10.145
40 HB2 LYS 9 1HB LYS 9 -11.477 -12.579 -9.397
41 HB3 LYS 9 2HB LYS 9 -13.166 -12.405 -8.936
42 HG2 LYS 9 1HG LYS 9 -12.396 -12.320 -11.819
43 HG3 LYS 9 2HG LYS 9 -12.523 -13.868 -10.979
44 HD2 LYS 9 1HD LYS 9 -14.728 -11.826 -10.910
45 HD3 LYS 9 2HD LYS 9 -14.601 -13.025 -12.199
46 HE2 LYS 9 1HE LYS 9 -14.546 -13.858 -9.323
47 HE3 LYS 9 2HE LYS 9 -16.078 -13.537 -10.135
48 HZ1 LYS 9 3HZ LYS 9 -14.333 -15.794 -10.369
49 HZ2 LYS 9 1HZ LYS 9 -14.739 -15.142 -11.876
50 HZ3 LYS 9 2HZ LYS 9 -15.958 -15.637 -10.813
51 H GLU 10 H GLU 10 -10.255 -11.063 -8.370
52 HA GLU 10 HA GLU 10 -11.252 -10.005 -5.912
53 HB2 GLU 10 1HB GLU 10 -9.097 -10.532 -4.999
54 HB3 GLU 10 2HB GLU 10 -9.564 -11.839 -6.077
55 HG2 GLU 10 1HG GLU 10 -8.177 -10.617 -7.848
56 HG3 GLU 10 2HG GLU 10 -7.501 -9.712 -6.496
57 H LYS 11 H LYS 11 -10.036 -8.309 -4.682
58 HA LYS 11 HA LYS 11 -9.707 -5.972 -6.393
59 HB2 LYS 11 1HB LYS 11 -10.038 -6.334 -3.419
60 HB3 LYS 11 2HB LYS 11 -9.615 -4.781 -4.129
61 HG2 LYS 11 1HG LYS 11 -11.683 -4.898 -5.492
62 HG3 LYS 11 2HG LYS 11 -12.117 -6.377 -4.632
63 HD2 LYS 11 1HD LYS 11 -13.253 -4.822 -3.385
64 HD3 LYS 11 2HD LYS 11 -11.720 -4.871 -2.512
65 HE2 LYS 11 1HE LYS 11 -12.273 -2.582 -2.795
66 HE3 LYS 11 2HE LYS 11 -10.974 -2.934 -3.934
67 HZ1 LYS 11 3HZ LYS 11 -13.239 -3.439 -5.353
68 HZ2 LYS 11 1HZ LYS 11 -12.304 -2.033 -5.453
69 HZ3 LYS 11 2HZ LYS 11 -13.659 -2.076 -4.443
70 H CYS 12 H CYS 12 -7.768 -5.322 -7.025
71 HA CYS 12 HA CYS 12 -5.425 -6.123 -5.434
72 HB2 CYS 12 1HB CYS 12 -5.819 -5.664 -8.376
73 HB3 CYS 12 2HB CYS 12 -4.215 -5.541 -7.664
74 HG CYS 12 HG CYS 12 -5.502 -8.162 -8.850
75 H PHE 13 H PHE 13 -4.721 -4.533 -4.177
76 HA PHE 13 HA PHE 13 -5.274 -1.777 -4.722
77 HB2 PHE 13 1HB PHE 13 -3.582 -3.126 -2.613
78 HB3 PHE 13 2HB PHE 13 -3.845 -1.387 -2.685
79 HD1 PHE 13 HD1 PHE 13 -6.383 -0.673 -2.803
80 HD2 PHE 13 HD2 PHE 13 -4.962 -4.385 -1.282
81 HE1 PHE 13 HE1 PHE 13 -8.458 -0.931 -1.506
82 HE2 PHE 13 HE2 PHE 13 -7.035 -4.650 0.017
83 HZ PHE 13 HZ PHE 13 -8.786 -2.923 -0.094
84 H LYS 14 H LYS 14 -4.268 -1.000 -6.503
85 HA LYS 14 HA LYS 14 -1.375 -1.414 -6.769
86 HB2 LYS 14 1HB LYS 14 -2.827 -1.960 -8.713
87 HB3 LYS 14 2HB LYS 14 -3.328 -0.276 -8.778
88 HG2 LYS 14 1HG LYS 14 -1.050 0.409 -9.258
89 HG3 LYS 14 2HG LYS 14 -0.504 -1.265 -9.129
90 HD2 LYS 14 1HD LYS 14 -2.394 -1.624 -10.956
91 HD3 LYS 14 2HD LYS 14 -2.052 0.076 -11.284
92 HE2 LYS 14 1HE LYS 14 -0.523 -0.885 -12.675
93 HE3 LYS 14 2HE LYS 14 0.447 -0.792 -11.206
94 HZ1 LYS 14 3HZ LYS 14 -0.771 -3.163 -10.914
95 HZ2 LYS 14 1HZ LYS 14 0.769 -2.960 -11.584
96 HZ3 LYS 14 2HZ LYS 14 -0.579 -3.108 -12.594
97 H CYS 15 H CYS 15 0.031 0.191 -6.434
98 HA CYS 15 HA CYS 15 -0.759 2.617 -5.252
99 HB2 CYS 15 1HB CYS 15 1.509 1.372 -5.126
100 HB3 CYS 15 2HB CYS 15 1.901 2.244 -6.604
101 H ASN 16 H ASN 16 -0.965 4.677 -6.025
102 HA ASN 16 HA ASN 16 -1.335 4.919 -8.905
103 HB2 ASN 16 1HB ASN 16 -2.342 7.136 -8.314
104 HB3 ASN 16 2HB ASN 16 -3.145 5.762 -7.560
105 HD21 ASN 16 1HD2 ASN 16 -2.188 8.792 -7.009
106 HD22 ASN 16 2HD2 ASN 16 -1.911 8.732 -5.305
107 H LYS 17 H LYS 17 1.341 4.823 -7.539
108 HA LYS 17 HA LYS 17 2.416 7.271 -8.760
109 HB2 LYS 17 1HB LYS 17 2.911 6.192 -6.016
110 HB3 LYS 17 2HB LYS 17 4.220 7.015 -6.854
111 HG2 LYS 17 1HG LYS 17 3.043 9.042 -6.933
112 HG3 LYS 17 2HG LYS 17 1.511 8.263 -6.529
113 HD2 LYS 17 1HD LYS 17 2.247 7.837 -4.288
114 HD3 LYS 17 2HD LYS 17 3.882 8.384 -4.669
115 HE2 LYS 17 1HE LYS 17 1.417 10.118 -4.782
116 HE3 LYS 17 2HE LYS 17 2.537 10.057 -3.423
117 HZ1 LYS 17 3HZ LYS 17 3.923 10.498 -5.861
118 HZ2 LYS 17 1HZ LYS 17 3.902 11.443 -4.458
119 HZ3 LYS 17 2HZ LYS 17 2.721 11.668 -5.647
120 H CYS 18 H CYS 18 3.392 4.140 -7.355
121 HA CYS 18 HA CYS 18 5.513 3.933 -9.357
122 HB2 CYS 18 1HB CYS 18 6.201 1.925 -7.998
123 HB3 CYS 18 2HB CYS 18 6.253 3.458 -7.133
124 H GLU 19 H GLU 19 2.421 2.611 -8.536
125 HA GLU 19 HA GLU 19 1.016 1.254 -9.717
126 HB2 GLU 19 1HB GLU 19 3.165 0.935 -11.804
127 HB3 GLU 19 2HB GLU 19 1.427 0.759 -12.001
128 HG2 GLU 19 1HG GLU 19 2.630 3.382 -11.213
129 HG3 GLU 19 2HG GLU 19 2.566 2.875 -12.900
130 H LYS 20 H LYS 20 2.691 0.246 -7.697
131 HA LYS 20 HA LYS 20 3.443 -2.418 -8.683
132 HB2 LYS 20 1HB LYS 20 4.350 -0.711 -6.423
133 HB3 LYS 20 2HB LYS 20 4.366 -2.452 -6.175
134 HG2 LYS 20 1HG LYS 20 5.718 -2.647 -8.274
135 HG3 LYS 20 2HG LYS 20 5.839 -0.886 -8.277
136 HD2 LYS 20 1HD LYS 20 6.699 -1.193 -5.849
137 HD3 LYS 20 2HD LYS 20 6.992 -2.863 -6.344
138 HE2 LYS 20 1HE LYS 20 9.010 -1.631 -6.683
139 HE3 LYS 20 2HE LYS 20 8.317 -1.980 -8.266
140 HZ1 LYS 20 3HZ LYS 20 8.249 0.598 -6.801
141 HZ2 LYS 20 1HZ LYS 20 7.331 0.293 -8.189
142 HZ3 LYS 20 2HZ LYS 20 9.020 0.267 -8.271
143 H THR 21 H THR 21 2.003 -3.978 -8.414
144 HA THR 21 HA THR 21 -0.319 -3.710 -6.819
145 HB THR 21 HB THR 21 -0.641 -6.163 -7.300
146 HG1 THR 21 HG1 THR 21 0.970 -6.748 -9.120
147 HG21 THR 21 3HG2 THR 21 -0.023 -4.385 -9.663
148 HG22 THR 21 1HG2 THR 21 -1.549 -4.441 -8.781
149 HG23 THR 21 2HG2 THR 21 -1.011 -5.844 -9.705
150 H PHE 22 H PHE 22 -0.775 -4.343 -4.787
151 HA PHE 22 HA PHE 22 1.357 -5.719 -3.290
152 HB2 PHE 22 1HB PHE 22 -0.597 -3.607 -2.366
153 HB3 PHE 22 2HB PHE 22 0.420 -4.539 -1.272
154 HD1 PHE 22 HD1 PHE 22 2.822 -4.188 -1.201
155 HD2 PHE 22 HD2 PHE 22 0.325 -1.883 -3.764
156 HE1 PHE 22 HE1 PHE 22 4.645 -2.565 -1.513
157 HE2 PHE 22 HE2 PHE 22 2.144 -0.257 -4.081
158 HZ PHE 22 HZ PHE 22 4.308 -0.597 -2.955
159 H SER 23 H SER 23 0.317 -6.618 -1.122
160 HA SER 23 HA SER 23 -1.715 -8.504 -2.005
161 HB2 SER 23 1HB SER 23 0.423 -9.130 -0.717
162 HB3 SER 23 2HB SER 23 -0.394 -8.478 0.705
163 HG SER 23 HG SER 23 -0.835 -10.656 0.604
164 H CYS 24 H CYS 24 -1.206 -6.419 0.846
165 HA CYS 24 HA CYS 24 -4.131 -6.313 1.171
166 HB2 CYS 24 1HB CYS 24 -1.945 -5.954 3.231
167 HB3 CYS 24 2HB CYS 24 -3.661 -5.736 3.547
168 HG CYS 24 HG CYS 24 -2.988 -8.705 2.200
169 H SER 25 H SER 25 -4.858 -4.242 2.311
170 HA SER 25 HA SER 25 -4.029 -2.031 0.684
171 HB2 SER 25 1HB SER 25 -6.391 -2.373 1.351
172 HB3 SER 25 2HB SER 25 -5.943 -2.072 3.030
173 HG SER 25 HG SER 25 -5.136 -0.134 1.241
174 H LYS 26 H LYS 26 -3.834 -2.819 4.138
175 HA LYS 26 HA LYS 26 -2.745 -0.513 5.144
176 HB2 LYS 26 1HB LYS 26 -3.365 -2.510 6.483
177 HB3 LYS 26 2HB LYS 26 -1.919 -3.322 5.900
178 HG2 LYS 26 1HG LYS 26 -0.706 -1.225 6.887
179 HG3 LYS 26 2HG LYS 26 -2.184 -1.080 7.841
180 HD2 LYS 26 1HD LYS 26 -1.790 -3.019 8.997
181 HD3 LYS 26 2HD LYS 26 -0.864 -3.743 7.680
182 HE2 LYS 26 1HE LYS 26 1.011 -2.276 8.166
183 HE3 LYS 26 2HE LYS 26 0.082 -1.476 9.432
184 HZ1 LYS 26 3HZ LYS 26 1.729 -3.622 9.762
185 HZ2 LYS 26 1HZ LYS 26 0.184 -4.311 9.786
186 HZ3 LYS 26 2HZ LYS 26 0.576 -3.076 10.873
187 H TYR 27 H TYR 27 -0.866 -3.303 3.949
188 HA TYR 27 HA TYR 27 1.667 -2.300 4.172
189 HB2 TYR 27 1HB TYR 27 0.505 -4.027 1.983
190 HB3 TYR 27 2HB TYR 27 2.229 -3.721 2.166
191 HD1 TYR 27 HD1 TYR 27 2.812 -3.979 4.927
192 HD2 TYR 27 HD2 TYR 27 -0.016 -6.175 2.629
193 HE1 TYR 27 HE1 TYR 27 2.978 -5.847 6.519
194 HE2 TYR 27 HE2 TYR 27 0.141 -8.049 4.215
195 HH TYR 27 HH TYR 27 2.584 -8.324 6.498
196 H LEU 28 H LEU 28 -0.593 -1.779 1.487
197 HA LEU 28 HA LEU 28 1.153 -0.224 -0.093
198 HB2 LEU 28 1HB LEU 28 -0.736 -1.180 -1.141
199 HB3 LEU 28 2HB LEU 28 -1.840 -0.459 0.028
200 HG LEU 28 HG LEU 28 -1.382 1.758 -0.926
201 HD11 LEU 28 1HD1 LEU 28 -0.001 0.507 -3.247
202 HD12 LEU 28 2HD1 LEU 28 0.933 0.879 -1.798
203 HD13 LEU 28 3HD1 LEU 28 0.072 2.163 -2.646
204 HD21 LEU 28 3HD2 LEU 28 -2.616 1.460 -2.977
205 HD22 LEU 28 1HD2 LEU 28 -3.250 0.365 -1.749
206 HD23 LEU 28 2HD2 LEU 28 -2.196 -0.253 -3.022
207 H THR 29 H THR 29 -1.598 0.816 1.929
208 HA THR 29 HA THR 29 -1.462 3.500 1.757
209 HB THR 29 HB THR 29 -1.757 2.005 4.370
210 HG1 THR 29 HG1 THR 29 -3.879 1.814 3.831
211 HG21 THR 29 3HG2 THR 29 -1.526 4.244 4.976
212 HG22 THR 29 1HG2 THR 29 -3.272 4.052 4.823
213 HG23 THR 29 2HG2 THR 29 -2.352 4.822 3.530
214 H GLN 30 H GLN 30 0.402 1.685 4.203
215 HA GLN 30 HA GLN 30 1.939 3.855 5.074
216 HB2 GLN 30 1HB GLN 30 1.701 1.692 6.279
217 HB3 GLN 30 2HB GLN 30 2.735 0.939 5.072
218 HG2 GLN 30 1HG GLN 30 4.612 2.197 5.756
219 HG3 GLN 30 2HG GLN 30 3.620 3.276 6.736
220 HE21 GLN 30 1HE2 GLN 30 4.030 2.954 8.794
221 HE22 GLN 30 2HE2 GLN 30 4.235 1.423 9.569
222 H HIS 31 H HIS 31 2.500 1.497 2.509
223 HA HIS 31 HA HIS 31 5.143 2.133 1.892
224 HB2 HIS 31 1HB HIS 31 4.438 0.245 0.781
225 HB3 HIS 31 2HB HIS 31 2.865 0.933 0.386
226 HD1 HIS 31 HD1 HIS 31 6.110 0.210 -1.055
227 HD2 HIS 31 HD2 HIS 31 3.044 2.916 -1.784
228 HE1 HIS 31 HE1 HIS 31 6.508 1.064 -3.386
229 H GLU 32 H GLU 32 2.173 3.379 0.356
230 HA GLU 32 HA GLU 32 3.066 5.095 -1.482
231 HB2 GLU 32 1HB GLU 32 0.985 5.755 0.608
232 HB3 GLU 32 2HB GLU 32 1.208 6.635 -0.897
233 HG2 GLU 32 1HG GLU 32 0.712 4.560 -2.141
234 HG3 GLU 32 2HG GLU 32 0.389 3.754 -0.607
235 H ARG 33 H ARG 33 3.504 5.463 1.957
236 HA ARG 33 HA ARG 33 4.189 8.144 2.142
237 HB2 ARG 33 1HB ARG 33 5.394 5.822 3.660
238 HB3 ARG 33 2HB ARG 33 5.490 7.512 4.134
239 HG2 ARG 33 1HG ARG 33 3.134 7.612 4.514
240 HG3 ARG 33 2HG ARG 33 2.907 6.002 3.827
241 HD2 ARG 33 1HD ARG 33 3.873 4.949 5.659
242 HD3 ARG 33 2HD ARG 33 4.712 6.410 6.179
243 HE ARG 33 HE ARG 33 1.885 6.720 6.302
244 HH11 ARG 33 1HH1 ARG 33 4.612 5.326 7.956
245 HH12 ARG 33 2HH1 ARG 33 3.860 5.381 9.516
246 HH21 ARG 33 1HH2 ARG 33 0.884 6.798 8.350
247 HH22 ARG 33 2HH2 ARG 33 1.739 6.218 9.739
248 H ILE 34 H ILE 34 6.310 5.367 1.470
249 HA ILE 34 HA ILE 34 8.766 6.466 1.354
250 HB ILE 34 HB ILE 34 9.408 4.877 -0.312
251 HG12 ILE 34 1HG1 ILE 34 6.601 4.087 -0.935
252 HG13 ILE 34 2HG1 ILE 34 7.235 5.541 -1.698
253 HG21 ILE 34 1HG2 ILE 34 8.549 2.830 0.619
254 HG22 ILE 34 2HG2 ILE 34 8.747 4.012 1.911
255 HG23 ILE 34 3HG2 ILE 34 7.141 3.672 1.267
256 HD11 ILE 34 3HD1 ILE 34 7.441 3.367 -2.982
257 HD12 ILE 34 1HD1 ILE 34 8.898 4.349 -2.833
258 HD13 ILE 34 2HD1 ILE 34 8.688 2.923 -1.816
259 H HIS 35 H HIS 35 6.115 7.231 -0.730
260 HA HIS 35 HA HIS 35 7.790 8.617 -2.659
261 HB2 HIS 35 1HB HIS 35 4.772 8.503 -2.493
262 HB3 HIS 35 2HB HIS 35 5.728 9.058 -3.864
263 HD1 HIS 35 HD1 HIS 35 7.614 6.918 -4.482
264 HD2 HIS 35 HD2 HIS 35 3.800 6.062 -3.073
265 HE1 HIS 35 HE1 HIS 35 7.146 4.554 -5.201
266 H THR 36 H THR 36 5.110 9.487 -0.473
267 HA THR 36 HA THR 36 5.662 12.302 -0.759
268 HB THR 36 HB THR 36 3.866 12.601 0.929
269 HG1 THR 36 HG1 THR 36 3.379 10.951 2.147
270 HG21 THR 36 3HG2 THR 36 3.281 12.486 -1.432
271 HG22 THR 36 1HG2 THR 36 2.031 11.715 -0.456
272 HG23 THR 36 2HG2 THR 36 3.192 10.727 -1.343
273 H ARG 37 H ARG 37 7.638 12.809 0.080
274 HA ARG 37 HA ARG 37 8.075 12.180 2.925
275 HB2 ARG 37 1HB ARG 37 10.469 12.369 2.500
276 HB3 ARG 37 2HB ARG 37 9.748 11.169 1.436
277 HG2 ARG 37 1HG ARG 37 10.034 12.460 -0.443
278 HG3 ARG 37 2HG ARG 37 10.067 13.970 0.471
279 HD2 ARG 37 1HD ARG 37 12.265 13.440 1.332
280 HD3 ARG 37 2HD ARG 37 12.226 11.866 0.539
281 HE ARG 37 HE ARG 37 12.875 12.882 -1.397
282 HH11 ARG 37 1HH1 ARG 37 11.573 15.294 0.749
283 HH12 ARG 37 2HH1 ARG 37 11.997 16.624 -0.277
284 HH21 ARG 37 1HH2 ARG 37 13.437 14.624 -2.758
285 HH22 ARG 37 2HH2 ARG 37 13.056 16.242 -2.272
286 H GLY 38 H GLY 38 8.554 13.810 4.334
287 HA2 GLY 38 1HA GLY 38 8.216 16.534 3.281
288 HA3 GLY 38 2HA GLY 38 7.943 16.039 4.945
289 H VAL 39 H VAL 39 9.534 18.257 4.020
290 HA VAL 39 HA VAL 39 12.264 17.817 3.934
291 HB VAL 39 HB VAL 39 12.536 20.102 4.823
292 HG11 VAL 39 1HG1 VAL 39 11.213 21.258 3.072
293 HG12 VAL 39 2HG1 VAL 39 12.086 19.847 2.472
294 HG13 VAL 39 3HG1 VAL 39 10.351 19.749 2.776
295 HG21 VAL 39 3HG2 VAL 39 10.961 21.214 5.978
296 HG22 VAL 39 1HG2 VAL 39 9.655 20.634 4.945
297 HG23 VAL 39 2HG2 VAL 39 10.269 19.614 6.247
298 H LYS 40 H LYS 40 13.889 17.636 5.441
299 HA LYS 40 HA LYS 40 13.396 16.216 7.779
300 HB2 LYS 40 1HB LYS 40 15.607 16.681 6.402
301 HB3 LYS 40 2HB LYS 40 15.825 17.946 7.605
302 HG2 LYS 40 1HG LYS 40 16.988 16.105 8.447
303 HG3 LYS 40 2HG LYS 40 15.471 16.128 9.349
304 HD2 LYS 40 1HD LYS 40 15.539 13.916 8.792
305 HD3 LYS 40 2HD LYS 40 14.701 14.541 7.371
306 HE2 LYS 40 1HE LYS 40 17.672 14.469 7.329
307 HE3 LYS 40 2HE LYS 40 16.804 12.943 7.169
308 HZ1 LYS 40 3HZ LYS 40 15.559 14.755 5.479
309 HZ2 LYS 40 1HZ LYS 40 16.510 13.425 5.043
310 HZ3 LYS 40 2HZ LYS 40 17.221 14.948 5.230
311 H SER 41 H SER 41 14.082 19.680 7.373
312 HA SER 41 HA SER 41 13.778 20.235 10.172
313 HB2 SER 41 1HB SER 41 13.967 22.605 9.481
314 HB3 SER 41 2HB SER 41 15.258 21.614 8.802
315 HG SER 41 HG SER 41 14.317 23.019 7.248
316 H GLY 42 H GLY 42 12.126 21.521 11.132
317 HA2 GLY 42 1HA GLY 42 9.525 20.741 10.574
318 HA3 GLY 42 2HA GLY 42 9.955 22.155 11.525
319 HA PRO 43 HA PRO 43 8.215 23.145 7.134
320 HB2 PRO 43 1HB PRO 43 5.537 23.104 7.578
321 HB3 PRO 43 2HB PRO 43 6.435 21.699 6.992
322 HG2 PRO 43 1HG PRO 43 5.524 22.340 9.770
323 HG3 PRO 43 2HG PRO 43 5.469 20.794 8.904
324 HD2 PRO 43 1HD PRO 43 7.380 21.372 10.734
325 HD3 PRO 43 2HD PRO 43 7.689 20.336 9.326
326 H SER 44 H SER 44 7.852 25.252 6.667
327 HA SER 44 HA SER 44 6.777 26.989 8.780
328 HB2 SER 44 1HB SER 44 9.227 27.596 7.107
329 HB3 SER 44 2HB SER 44 8.488 28.682 8.284
330 HG SER 44 HG SER 44 9.644 27.712 9.729
331 H SER 45 H SER 45 5.928 29.026 8.006
332 HA SER 45 HA SER 45 4.451 28.706 5.583
333 HB2 SER 45 1HB SER 45 3.702 29.928 7.709
334 HB3 SER 45 2HB SER 45 4.696 31.273 7.150
335 HG SER 45 HG SER 45 3.343 30.738 5.076
336 H GLY 46 H GLY 46 5.584 28.784 3.725
337 HA2 GLY 46 1HA GLY 46 7.600 30.883 3.370
338 HA3 GLY 46 2HA GLY 46 7.374 29.482 2.333
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -27.883 -10.079 -21.522
2 HA2 GLY 1 1HA GLY 1 -25.632 -11.379 -22.917
3 HA3 GLY 1 2HA GLY 1 -25.508 -9.710 -22.382
4 H SER 2 H SER 2 -24.186 -9.621 -20.696
5 HA SER 2 HA SER 2 -24.802 -11.116 -18.310
6 HB2 SER 2 1HB SER 2 -22.629 -12.193 -18.082
7 HB3 SER 2 2HB SER 2 -23.394 -12.716 -19.582
8 HG SER 2 HG SER 2 -21.150 -11.115 -19.185
9 H SER 3 H SER 3 -24.721 -9.608 -16.794
10 HA SER 3 HA SER 3 -23.405 -7.136 -17.074
11 HB2 SER 3 1HB SER 3 -24.110 -6.672 -14.834
12 HB3 SER 3 2HB SER 3 -25.387 -7.630 -15.582
13 HG SER 3 HG SER 3 -25.120 -8.953 -13.984
14 H GLY 4 H GLY 4 -21.927 -6.384 -15.119
15 HA2 GLY 4 1HA GLY 4 -19.537 -8.034 -15.329
16 HA3 GLY 4 2HA GLY 4 -19.623 -6.398 -14.694
17 H SER 5 H SER 5 -20.963 -9.607 -13.894
18 HA SER 5 HA SER 5 -20.228 -9.083 -11.088
19 HB2 SER 5 1HB SER 5 -22.624 -9.086 -11.236
20 HB3 SER 5 2HB SER 5 -22.619 -10.561 -12.203
21 HG SER 5 HG SER 5 -22.683 -11.610 -10.398
22 H SER 6 H SER 6 -18.510 -10.264 -10.582
23 HA SER 6 HA SER 6 -18.151 -12.894 -11.821
24 HB2 SER 6 1HB SER 6 -15.834 -12.749 -10.979
25 HB3 SER 6 2HB SER 6 -16.251 -11.356 -11.976
26 HG SER 6 HG SER 6 -15.249 -11.247 -9.618
27 H GLY 7 H GLY 7 -17.013 -14.526 -10.295
28 HA2 GLY 7 1HA GLY 7 -18.794 -14.880 -8.025
29 HA3 GLY 7 2HA GLY 7 -17.660 -16.063 -8.658
30 H GLN 8 H GLN 8 -15.261 -15.133 -8.460
31 HA GLN 8 HA GLN 8 -14.758 -15.008 -5.661
32 HB2 GLN 8 1HB GLN 8 -13.309 -15.979 -7.627
33 HB3 GLN 8 2HB GLN 8 -12.660 -14.346 -7.688
34 HG2 GLN 8 1HG GLN 8 -11.288 -15.845 -6.328
35 HG3 GLN 8 2HG GLN 8 -11.941 -14.502 -5.391
36 HE21 GLN 8 1HE2 GLN 8 -12.282 -17.920 -6.100
37 HE22 GLN 8 2HE2 GLN 8 -13.090 -18.337 -4.631
38 H LYS 9 H LYS 9 -13.643 -13.342 -4.513
39 HA LYS 9 HA LYS 9 -14.465 -10.680 -5.375
40 HB2 LYS 9 1HB LYS 9 -13.597 -11.882 -2.770
41 HB3 LYS 9 2HB LYS 9 -13.520 -10.139 -2.992
42 HG2 LYS 9 1HG LYS 9 -16.044 -11.622 -3.593
43 HG3 LYS 9 2HG LYS 9 -15.625 -11.196 -1.932
44 HD2 LYS 9 1HD LYS 9 -15.528 -9.113 -4.075
45 HD3 LYS 9 2HD LYS 9 -17.077 -9.572 -3.364
46 HE2 LYS 9 1HE LYS 9 -16.016 -9.144 -1.108
47 HE3 LYS 9 2HE LYS 9 -14.669 -8.413 -1.979
48 HZ1 LYS 9 3HZ LYS 9 -16.846 -7.082 -1.158
49 HZ2 LYS 9 1HZ LYS 9 -17.277 -7.441 -2.754
50 HZ3 LYS 9 2HZ LYS 9 -15.853 -6.586 -2.435
51 H GLU 10 H GLU 10 -12.888 -10.446 -7.055
52 HA GLU 10 HA GLU 10 -10.114 -10.643 -6.656
53 HB2 GLU 10 1HB GLU 10 -11.839 -9.221 -8.653
54 HB3 GLU 10 2HB GLU 10 -10.102 -8.945 -8.641
55 HG2 GLU 10 1HG GLU 10 -9.870 -11.479 -8.773
56 HG3 GLU 10 2HG GLU 10 -11.584 -11.492 -9.184
57 H LYS 11 H LYS 11 -9.188 -9.599 -4.993
58 HA LYS 11 HA LYS 11 -9.711 -6.712 -4.717
59 HB2 LYS 11 1HB LYS 11 -10.373 -7.924 -2.727
60 HB3 LYS 11 2HB LYS 11 -8.810 -8.727 -2.652
61 HG2 LYS 11 1HG LYS 11 -7.709 -6.779 -1.979
62 HG3 LYS 11 2HG LYS 11 -9.046 -5.744 -2.486
63 HD2 LYS 11 1HD LYS 11 -9.570 -7.794 -0.395
64 HD3 LYS 11 2HD LYS 11 -8.648 -6.358 0.058
65 HE2 LYS 11 1HE LYS 11 -10.769 -5.618 0.479
66 HE3 LYS 11 2HE LYS 11 -10.602 -5.122 -1.205
67 HZ1 LYS 11 3HZ LYS 11 -12.152 -6.574 -1.866
68 HZ2 LYS 11 1HZ LYS 11 -12.632 -6.590 -0.243
69 HZ3 LYS 11 2HZ LYS 11 -11.612 -7.803 -0.836
70 H CYS 12 H CYS 12 -8.144 -5.546 -5.607
71 HA CYS 12 HA CYS 12 -5.368 -6.201 -4.979
72 HB2 CYS 12 1HB CYS 12 -4.647 -5.913 -7.295
73 HB3 CYS 12 2HB CYS 12 -5.803 -7.233 -7.172
74 HG CYS 12 HG CYS 12 -5.988 -4.405 -8.917
75 H PHE 13 H PHE 13 -4.081 -4.444 -4.692
76 HA PHE 13 HA PHE 13 -5.255 -1.809 -5.287
77 HB2 PHE 13 1HB PHE 13 -3.572 -2.451 -2.861
78 HB3 PHE 13 2HB PHE 13 -4.412 -0.943 -3.205
79 HD1 PHE 13 HD2 PHE 13 -4.813 -4.439 -2.172
80 HD2 PHE 13 HD1 PHE 13 -6.757 -0.705 -2.799
81 HE1 PHE 13 HE2 PHE 13 -6.782 -5.263 -0.949
82 HE2 PHE 13 HE1 PHE 13 -8.729 -1.522 -1.576
83 HZ PHE 13 HZ PHE 13 -8.744 -3.804 -0.650
84 H LYS 14 H LYS 14 -4.084 -1.078 -6.951
85 HA LYS 14 HA LYS 14 -1.174 -1.454 -6.920
86 HB2 LYS 14 1HB LYS 14 -2.795 -1.996 -8.935
87 HB3 LYS 14 2HB LYS 14 -2.626 -0.274 -9.249
88 HG2 LYS 14 1HG LYS 14 -0.389 -0.447 -9.761
89 HG3 LYS 14 2HG LYS 14 -0.186 -1.939 -8.840
90 HD2 LYS 14 1HD LYS 14 -0.102 -2.652 -11.057
91 HD3 LYS 14 2HD LYS 14 -1.771 -2.978 -10.585
92 HE2 LYS 14 1HE LYS 14 -1.075 -0.357 -11.836
93 HE3 LYS 14 2HE LYS 14 -1.243 -1.787 -12.853
94 HZ1 LYS 14 3HZ LYS 14 -3.391 -1.197 -12.867
95 HZ2 LYS 14 1HZ LYS 14 -3.269 -0.261 -11.463
96 HZ3 LYS 14 2HZ LYS 14 -3.449 -1.939 -11.347
97 H CYS 15 H CYS 15 0.093 0.172 -6.333
98 HA CYS 15 HA CYS 15 -0.765 2.639 -5.448
99 HB2 CYS 15 1HB CYS 15 1.563 1.419 -5.277
100 HB3 CYS 15 2HB CYS 15 1.951 2.404 -6.683
101 H ASN 16 H ASN 16 0.244 4.769 -6.449
102 HA ASN 16 HA ASN 16 -0.750 4.904 -9.215
103 HB2 ASN 16 1HB ASN 16 -0.784 6.852 -6.936
104 HB3 ASN 16 2HB ASN 16 -0.833 7.450 -8.592
105 HD21 ASN 16 1HD2 ASN 16 -2.750 7.640 -9.496
106 HD22 ASN 16 2HD2 ASN 16 -4.201 6.862 -8.971
107 H LYS 17 H LYS 17 1.659 6.449 -7.086
108 HA LYS 17 HA LYS 17 3.164 7.669 -9.093
109 HB2 LYS 17 1HB LYS 17 4.114 6.609 -6.425
110 HB3 LYS 17 2HB LYS 17 4.982 7.760 -7.433
111 HG2 LYS 17 1HG LYS 17 2.207 8.409 -6.577
112 HG3 LYS 17 2HG LYS 17 3.525 8.564 -5.413
113 HD2 LYS 17 1HD LYS 17 4.512 10.287 -6.555
114 HD3 LYS 17 2HD LYS 17 3.887 9.753 -8.117
115 HE2 LYS 17 1HE LYS 17 1.575 10.382 -7.093
116 HE3 LYS 17 2HE LYS 17 2.539 11.344 -5.973
117 HZ1 LYS 17 3HZ LYS 17 3.538 12.461 -7.894
118 HZ2 LYS 17 1HZ LYS 17 1.861 12.677 -7.843
119 HZ3 LYS 17 2HZ LYS 17 2.539 11.577 -8.934
120 H CYS 18 H CYS 18 4.089 4.720 -7.306
121 HA CYS 18 HA CYS 18 5.947 3.981 -9.387
122 HB2 CYS 18 1HB CYS 18 6.470 2.067 -7.940
123 HB3 CYS 18 2HB CYS 18 6.510 3.577 -7.036
124 H GLU 19 H GLU 19 2.763 3.011 -8.290
125 HA GLU 19 HA GLU 19 1.137 1.779 -9.310
126 HB2 GLU 19 1HB GLU 19 3.001 1.431 -11.654
127 HB3 GLU 19 2HB GLU 19 1.247 1.317 -11.646
128 HG2 GLU 19 1HG GLU 19 2.558 3.880 -10.875
129 HG3 GLU 19 2HG GLU 19 2.425 3.440 -12.576
130 H LYS 20 H LYS 20 2.778 0.544 -7.499
131 HA LYS 20 HA LYS 20 3.492 -2.050 -8.652
132 HB2 LYS 20 1HB LYS 20 4.063 -0.749 -5.995
133 HB3 LYS 20 2HB LYS 20 4.382 -2.454 -6.287
134 HG2 LYS 20 1HG LYS 20 5.946 -1.915 -8.033
135 HG3 LYS 20 2HG LYS 20 5.550 -0.199 -7.904
136 HD2 LYS 20 1HD LYS 20 6.456 -0.121 -5.662
137 HD3 LYS 20 2HD LYS 20 6.750 -1.862 -5.689
138 HE2 LYS 20 1HE LYS 20 8.522 -1.670 -7.160
139 HE3 LYS 20 2HE LYS 20 7.962 -0.124 -7.795
140 HZ1 LYS 20 3HZ LYS 20 9.252 0.924 -6.353
141 HZ2 LYS 20 1HZ LYS 20 9.857 -0.560 -5.811
142 HZ3 LYS 20 2HZ LYS 20 8.519 0.137 -5.047
143 H THR 21 H THR 21 2.390 -3.885 -8.256
144 HA THR 21 HA THR 21 -0.218 -3.682 -7.068
145 HB THR 21 HB THR 21 -0.451 -6.068 -7.651
146 HG1 THR 21 HG1 THR 21 2.293 -5.773 -8.331
147 HG21 THR 21 3HG2 THR 21 -0.796 -4.200 -9.324
148 HG22 THR 21 1HG2 THR 21 -0.477 -5.792 -10.010
149 HG23 THR 21 2HG2 THR 21 0.806 -4.584 -9.953
150 H PHE 22 H PHE 22 -0.889 -4.365 -5.111
151 HA PHE 22 HA PHE 22 1.105 -5.665 -3.374
152 HB2 PHE 22 1HB PHE 22 -0.997 -3.610 -2.671
153 HB3 PHE 22 2HB PHE 22 -0.072 -4.511 -1.474
154 HD1 PHE 22 HD2 PHE 22 0.058 -1.911 -4.045
155 HD2 PHE 22 HD1 PHE 22 2.251 -4.029 -1.075
156 HE1 PHE 22 HE2 PHE 22 1.848 -0.228 -4.172
157 HE2 PHE 22 HE1 PHE 22 4.044 -2.349 -1.196
158 HZ PHE 22 HZ PHE 22 3.845 -0.446 -2.747
159 H SER 23 H SER 23 -0.095 -6.653 -1.369
160 HA SER 23 HA SER 23 -2.201 -8.383 -2.464
161 HB2 SER 23 1HB SER 23 -1.605 -9.869 -0.505
162 HB3 SER 23 2HB SER 23 -0.321 -9.653 -1.695
163 HG SER 23 HG SER 23 -0.436 -7.895 0.478
164 H CYS 24 H CYS 24 -1.477 -6.120 0.084
165 HA CYS 24 HA CYS 24 -4.283 -6.278 0.951
166 HB2 CYS 24 1HB CYS 24 -1.806 -6.415 2.596
167 HB3 CYS 24 2HB CYS 24 -3.162 -5.502 3.248
168 HG CYS 24 HG CYS 24 -4.142 -7.598 4.351
169 H SER 25 H SER 25 -4.762 -4.254 2.399
170 HA SER 25 HA SER 25 -4.073 -1.950 0.764
171 HB2 SER 25 1HB SER 25 -6.099 -2.406 2.954
172 HB3 SER 25 2HB SER 25 -5.793 -0.809 2.272
173 HG SER 25 HG SER 25 -6.565 -3.102 0.785
174 H LYS 26 H LYS 26 -3.779 -3.028 4.118
175 HA LYS 26 HA LYS 26 -2.730 -0.721 5.255
176 HB2 LYS 26 1HB LYS 26 -1.842 -2.139 6.998
177 HB3 LYS 26 2HB LYS 26 -3.421 -2.744 6.515
178 HG2 LYS 26 1HG LYS 26 -2.283 -4.704 6.591
179 HG3 LYS 26 2HG LYS 26 -1.954 -4.254 4.916
180 HD2 LYS 26 1HD LYS 26 0.158 -4.792 5.669
181 HD3 LYS 26 2HD LYS 26 0.122 -3.050 5.951
182 HE2 LYS 26 1HE LYS 26 1.026 -4.078 7.903
183 HE3 LYS 26 2HE LYS 26 -0.603 -3.531 8.296
184 HZ1 LYS 26 3HZ LYS 26 -1.075 -5.588 8.916
185 HZ2 LYS 26 1HZ LYS 26 0.461 -6.130 8.456
186 HZ3 LYS 26 2HZ LYS 26 -0.808 -6.136 7.338
187 H TYR 27 H TYR 27 -1.103 -3.301 3.474
188 HA TYR 27 HA TYR 27 1.539 -2.431 3.935
189 HB2 TYR 27 1HB TYR 27 0.262 -4.146 1.821
190 HB3 TYR 27 2HB TYR 27 1.972 -3.736 1.744
191 HD1 TYR 27 HD1 TYR 27 2.776 -3.869 4.559
192 HD2 TYR 27 HD2 TYR 27 0.178 -6.409 2.344
193 HE1 TYR 27 HE1 TYR 27 3.291 -5.722 6.092
194 HE2 TYR 27 HE2 TYR 27 0.686 -8.269 3.872
195 HH TYR 27 HH TYR 27 3.238 -8.125 6.157
196 H LEU 28 H LEU 28 -0.778 -1.723 1.354
197 HA LEU 28 HA LEU 28 0.994 -0.148 -0.202
198 HB2 LEU 28 1HB LEU 28 -0.975 -1.121 -1.189
199 HB3 LEU 28 2HB LEU 28 -2.016 -0.233 -0.078
200 HG LEU 28 HG LEU 28 -1.279 1.879 -1.157
201 HD11 LEU 28 1HD1 LEU 28 0.194 1.979 -2.874
202 HD12 LEU 28 2HD1 LEU 28 -0.238 0.384 -3.488
203 HD13 LEU 28 3HD1 LEU 28 0.827 0.532 -2.089
204 HD21 LEU 28 3HD2 LEU 28 -3.366 0.955 -1.839
205 HD22 LEU 28 1HD2 LEU 28 -2.571 -0.234 -2.871
206 HD23 LEU 28 2HD2 LEU 28 -2.520 1.477 -3.296
207 H THR 29 H THR 29 -1.598 0.731 2.075
208 HA THR 29 HA THR 29 -1.545 3.445 1.965
209 HB THR 29 HB THR 29 -1.629 1.907 4.565
210 HG1 THR 29 HG1 THR 29 -3.960 1.984 4.104
211 HG21 THR 29 3HG2 THR 29 -3.347 4.253 4.156
212 HG22 THR 29 1HG2 THR 29 -1.620 4.607 4.194
213 HG23 THR 29 2HG2 THR 29 -2.382 3.785 5.556
214 H GLN 30 H GLN 30 0.433 1.599 4.296
215 HA GLN 30 HA GLN 30 2.002 3.744 5.138
216 HB2 GLN 30 1HB GLN 30 1.799 1.420 6.172
217 HB3 GLN 30 2HB GLN 30 2.987 0.901 4.984
218 HG2 GLN 30 1HG GLN 30 4.352 2.928 5.944
219 HG3 GLN 30 2HG GLN 30 3.310 2.677 7.344
220 HE21 GLN 30 1HE2 GLN 30 6.195 2.301 7.039
221 HE22 GLN 30 2HE2 GLN 30 6.507 0.657 7.468
222 H HIS 31 H HIS 31 2.604 1.359 2.579
223 HA HIS 31 HA HIS 31 5.153 2.076 1.825
224 HB2 HIS 31 1HB HIS 31 4.365 0.218 0.696
225 HB3 HIS 31 2HB HIS 31 2.809 0.963 0.341
226 HD1 HIS 31 HD1 HIS 31 6.131 0.347 -1.079
227 HD2 HIS 31 HD2 HIS 31 2.904 2.847 -1.851
228 HE1 HIS 31 HE1 HIS 31 6.499 1.221 -3.409
229 H GLU 32 H GLU 32 2.137 3.349 0.401
230 HA GLU 32 HA GLU 32 2.953 5.139 -1.387
231 HB2 GLU 32 1HB GLU 32 0.897 5.533 0.779
232 HB3 GLU 32 2HB GLU 32 1.153 6.724 -0.489
233 HG2 GLU 32 1HG GLU 32 0.823 4.687 -2.080
234 HG3 GLU 32 2HG GLU 32 0.033 3.970 -0.676
235 H ARG 33 H ARG 33 3.362 5.503 2.085
236 HA ARG 33 HA ARG 33 4.098 8.131 2.325
237 HB2 ARG 33 1HB ARG 33 5.377 5.763 3.704
238 HB3 ARG 33 2HB ARG 33 5.498 7.436 4.234
239 HG2 ARG 33 1HG ARG 33 2.904 5.931 3.992
240 HG3 ARG 33 2HG ARG 33 3.837 6.072 5.483
241 HD2 ARG 33 1HD ARG 33 2.292 7.786 5.689
242 HD3 ARG 33 2HD ARG 33 3.706 8.617 5.042
243 HE ARG 33 HE ARG 33 2.279 7.920 2.832
244 HH11 ARG 33 1HH1 ARG 33 1.560 9.681 5.748
245 HH12 ARG 33 2HH1 ARG 33 0.375 10.698 4.996
246 HH21 ARG 33 1HH2 ARG 33 0.722 9.253 1.831
247 HH22 ARG 33 2HH2 ARG 33 -0.101 10.453 2.769
248 H ILE 34 H ILE 34 6.233 5.411 1.483
249 HA ILE 34 HA ILE 34 8.668 6.524 1.309
250 HB ILE 34 HB ILE 34 9.254 5.025 -0.444
251 HG12 ILE 34 1HG1 ILE 34 6.375 4.430 -1.053
252 HG13 ILE 34 2HG1 ILE 34 7.184 5.783 -1.835
253 HG21 ILE 34 1HG2 ILE 34 8.995 3.356 0.992
254 HG22 ILE 34 2HG2 ILE 34 7.666 4.211 1.775
255 HG23 ILE 34 3HG2 ILE 34 7.342 3.132 0.418
256 HD11 ILE 34 3HD1 ILE 34 8.793 4.321 -2.829
257 HD12 ILE 34 1HD1 ILE 34 8.169 2.944 -1.921
258 HD13 ILE 34 2HD1 ILE 34 7.177 3.701 -3.168
259 H HIS 35 H HIS 35 5.942 7.347 -0.676
260 HA HIS 35 HA HIS 35 7.543 8.875 -2.556
261 HB2 HIS 35 1HB HIS 35 4.534 8.679 -2.315
262 HB3 HIS 35 2HB HIS 35 5.431 9.360 -3.669
263 HD1 HIS 35 HD1 HIS 35 7.390 7.298 -4.429
264 HD2 HIS 35 HD2 HIS 35 3.581 6.290 -3.112
265 HE1 HIS 35 HE1 HIS 35 6.960 4.987 -5.322
266 H THR 36 H THR 36 4.913 9.576 -0.251
267 HA THR 36 HA THR 36 5.264 12.401 -0.431
268 HB THR 36 HB THR 36 3.767 12.466 1.587
269 HG1 THR 36 HG1 THR 36 2.777 10.166 1.800
270 HG21 THR 36 3HG2 THR 36 3.039 11.050 -0.944
271 HG22 THR 36 1HG2 THR 36 2.576 12.657 -0.388
272 HG23 THR 36 2HG2 THR 36 1.838 11.227 0.334
273 H ARG 37 H ARG 37 7.082 13.333 0.261
274 HA ARG 37 HA ARG 37 8.918 12.341 2.069
275 HB2 ARG 37 1HB ARG 37 8.265 15.101 1.113
276 HB3 ARG 37 2HB ARG 37 9.439 14.893 2.406
277 HG2 ARG 37 1HG ARG 37 9.643 13.486 -0.243
278 HG3 ARG 37 2HG ARG 37 10.385 15.053 0.088
279 HD2 ARG 37 1HD ARG 37 11.835 14.153 1.694
280 HD3 ARG 37 2HD ARG 37 10.887 12.675 1.846
281 HE ARG 37 HE ARG 37 12.916 13.241 -0.111
282 HH11 ARG 37 1HH1 ARG 37 10.088 11.347 0.621
283 HH12 ARG 37 2HH1 ARG 37 10.496 10.073 -0.481
284 HH21 ARG 37 1HH2 ARG 37 13.464 11.571 -1.564
285 HH22 ARG 37 2HH2 ARG 37 12.417 10.201 -1.723
286 H GLY 38 H GLY 38 6.584 14.956 2.773
287 HA2 GLY 38 1HA GLY 38 5.846 13.820 5.289
288 HA3 GLY 38 2HA GLY 38 6.984 15.144 5.491
289 H VAL 39 H VAL 39 5.984 16.954 6.032
290 HA VAL 39 HA VAL 39 3.205 17.380 5.362
291 HB VAL 39 HB VAL 39 3.450 19.486 6.651
292 HG11 VAL 39 1HG1 VAL 39 4.537 17.907 8.703
293 HG12 VAL 39 2HG1 VAL 39 2.832 18.160 8.323
294 HG13 VAL 39 3HG1 VAL 39 3.702 16.797 7.617
295 HG21 VAL 39 3HG2 VAL 39 5.871 19.800 6.054
296 HG22 VAL 39 1HG2 VAL 39 5.479 20.057 7.754
297 HG23 VAL 39 2HG2 VAL 39 6.253 18.557 7.244
298 H LYS 40 H LYS 40 6.339 18.615 4.387
299 HA LYS 40 HA LYS 40 5.396 19.551 1.903
300 HB2 LYS 40 1HB LYS 40 4.418 21.325 3.345
301 HB3 LYS 40 2HB LYS 40 6.038 21.733 3.897
302 HG2 LYS 40 1HG LYS 40 6.635 22.674 1.883
303 HG3 LYS 40 2HG LYS 40 5.432 21.754 0.976
304 HD2 LYS 40 1HD LYS 40 3.721 23.119 2.386
305 HD3 LYS 40 2HD LYS 40 5.081 24.215 2.642
306 HE2 LYS 40 1HE LYS 40 3.834 24.994 0.753
307 HE3 LYS 40 2HE LYS 40 5.362 24.336 0.171
308 HZ1 LYS 40 3HZ LYS 40 4.039 23.246 -1.253
309 HZ2 LYS 40 1HZ LYS 40 2.658 23.412 -0.290
310 HZ3 LYS 40 2HZ LYS 40 3.778 22.188 0.040
311 H SER 41 H SER 41 7.116 18.850 0.808
312 HA SER 41 HA SER 41 9.707 20.056 1.372
313 HB2 SER 41 1HB SER 41 9.263 17.065 1.273
314 HB3 SER 41 2HB SER 41 10.849 17.833 1.191
315 HG SER 41 HG SER 41 9.429 17.228 3.349
316 H GLY 42 H GLY 42 10.951 20.364 -0.428
317 HA2 GLY 42 1HA GLY 42 10.101 19.099 -2.937
318 HA3 GLY 42 2HA GLY 42 10.131 20.854 -2.854
319 HA PRO 43 HA PRO 43 14.238 19.541 -4.464
320 HB2 PRO 43 1HB PRO 43 14.428 21.577 -6.250
321 HB3 PRO 43 2HB PRO 43 13.588 20.063 -6.605
322 HG2 PRO 43 1HG PRO 43 12.458 22.703 -5.760
323 HG3 PRO 43 2HG PRO 43 11.872 21.581 -7.002
324 HD2 PRO 43 1HD PRO 43 10.770 21.725 -4.533
325 HD3 PRO 43 2HD PRO 43 10.843 20.212 -5.460
326 H SER 44 H SER 44 16.256 20.464 -4.090
327 HA SER 44 HA SER 44 16.465 23.177 -3.104
328 HB2 SER 44 1HB SER 44 17.493 22.511 -0.953
329 HB3 SER 44 2HB SER 44 15.810 21.997 -1.067
330 HG SER 44 HG SER 44 16.499 19.916 -1.496
331 H SER 45 H SER 45 18.867 23.463 -2.254
332 HA SER 45 HA SER 45 20.572 22.315 -4.352
333 HB2 SER 45 1HB SER 45 20.551 24.706 -4.449
334 HB3 SER 45 2HB SER 45 20.815 24.842 -2.710
335 HG SER 45 HG SER 45 22.693 25.117 -4.203
336 H GLY 46 H GLY 46 21.816 20.676 -3.752
337 HA2 GLY 46 1HA GLY 46 23.645 20.819 -1.615
338 HA3 GLY 46 2HA GLY 46 22.259 19.864 -1.109
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -32.782 -7.099 -20.784
2 HA2 GLY 1 1HA GLY 1 -33.618 -7.479 -23.575
3 HA3 GLY 1 2HA GLY 1 -32.323 -6.342 -23.228
4 H SER 2 H SER 2 -30.687 -7.471 -21.539
5 HA SER 2 HA SER 2 -30.193 -10.247 -22.196
6 HB2 SER 2 1HB SER 2 -28.138 -8.156 -22.947
7 HB3 SER 2 2HB SER 2 -28.008 -9.899 -23.180
8 HG SER 2 HG SER 2 -29.272 -8.024 -24.709
9 H SER 3 H SER 3 -28.511 -11.196 -20.910
10 HA SER 3 HA SER 3 -28.440 -10.174 -18.262
11 HB2 SER 3 1HB SER 3 -27.234 -12.524 -19.666
12 HB3 SER 3 2HB SER 3 -26.620 -12.080 -18.074
13 HG SER 3 HG SER 3 -28.291 -13.088 -17.320
14 H GLY 4 H GLY 4 -26.648 -9.460 -17.041
15 HA2 GLY 4 1HA GLY 4 -24.706 -7.976 -18.647
16 HA3 GLY 4 2HA GLY 4 -25.045 -7.731 -16.940
17 H SER 5 H SER 5 -23.517 -8.380 -15.590
18 HA SER 5 HA SER 5 -21.930 -10.749 -16.241
19 HB2 SER 5 1HB SER 5 -19.841 -9.535 -15.565
20 HB3 SER 5 2HB SER 5 -20.551 -8.951 -17.069
21 HG SER 5 HG SER 5 -21.393 -7.198 -15.957
22 H SER 6 H SER 6 -21.117 -11.850 -14.462
23 HA SER 6 HA SER 6 -21.486 -10.764 -11.799
24 HB2 SER 6 1HB SER 6 -23.136 -13.028 -12.891
25 HB3 SER 6 2HB SER 6 -22.763 -12.938 -11.170
26 HG SER 6 HG SER 6 -23.928 -10.805 -12.628
27 H GLY 7 H GLY 7 -20.612 -12.214 -10.117
28 HA2 GLY 7 1HA GLY 7 -19.369 -14.521 -10.110
29 HA3 GLY 7 2HA GLY 7 -18.284 -13.643 -11.179
30 H GLN 8 H GLN 8 -16.798 -14.341 -9.362
31 HA GLN 8 HA GLN 8 -16.992 -12.921 -6.877
32 HB2 GLN 8 1HB GLN 8 -15.821 -15.197 -7.409
33 HB3 GLN 8 2HB GLN 8 -14.459 -14.182 -7.863
34 HG2 GLN 8 1HG GLN 8 -14.464 -13.183 -5.630
35 HG3 GLN 8 2HG GLN 8 -15.818 -14.218 -5.177
36 HE21 GLN 8 1HE2 GLN 8 -13.083 -14.004 -4.098
37 HE22 GLN 8 2HE2 GLN 8 -12.427 -15.600 -4.183
38 H LYS 9 H LYS 9 -15.489 -11.345 -6.103
39 HA LYS 9 HA LYS 9 -14.413 -9.654 -8.260
40 HB2 LYS 9 1HB LYS 9 -14.677 -7.763 -6.741
41 HB3 LYS 9 2HB LYS 9 -16.206 -8.608 -6.945
42 HG2 LYS 9 1HG LYS 9 -14.485 -9.380 -4.653
43 HG3 LYS 9 2HG LYS 9 -15.340 -7.837 -4.576
44 HD2 LYS 9 1HD LYS 9 -16.874 -10.239 -5.420
45 HD3 LYS 9 2HD LYS 9 -16.435 -10.095 -3.716
46 HE2 LYS 9 1HE LYS 9 -18.427 -8.989 -3.677
47 HE3 LYS 9 2HE LYS 9 -17.362 -7.639 -4.068
48 HZ1 LYS 9 3HZ LYS 9 -19.305 -7.678 -5.501
49 HZ2 LYS 9 1HZ LYS 9 -18.918 -9.237 -6.030
50 HZ3 LYS 9 2HZ LYS 9 -17.899 -7.940 -6.405
51 H GLU 10 H GLU 10 -12.329 -8.912 -8.168
52 HA GLU 10 HA GLU 10 -10.637 -10.121 -6.086
53 HB2 GLU 10 1HB GLU 10 -10.356 -10.601 -8.650
54 HB3 GLU 10 2HB GLU 10 -9.545 -9.041 -8.657
55 HG2 GLU 10 1HG GLU 10 -8.777 -11.364 -6.905
56 HG3 GLU 10 2HG GLU 10 -8.003 -10.951 -8.434
57 H LYS 11 H LYS 11 -11.110 -8.363 -4.637
58 HA LYS 11 HA LYS 11 -10.571 -5.662 -5.238
59 HB2 LYS 11 1HB LYS 11 -11.902 -6.605 -3.275
60 HB3 LYS 11 2HB LYS 11 -10.351 -6.902 -2.499
61 HG2 LYS 11 1HG LYS 11 -9.907 -4.400 -2.942
62 HG3 LYS 11 2HG LYS 11 -11.653 -4.296 -3.173
63 HD2 LYS 11 1HD LYS 11 -10.547 -5.639 -0.741
64 HD3 LYS 11 2HD LYS 11 -10.627 -3.877 -0.814
65 HE2 LYS 11 1HE LYS 11 -12.624 -4.638 0.236
66 HE3 LYS 11 2HE LYS 11 -13.055 -4.102 -1.387
67 HZ1 LYS 11 3HZ LYS 11 -12.368 -6.897 -1.209
68 HZ2 LYS 11 1HZ LYS 11 -13.679 -6.151 -1.975
69 HZ3 LYS 11 2HZ LYS 11 -13.742 -6.473 -0.316
70 H CYS 12 H CYS 12 -8.602 -5.291 -6.158
71 HA CYS 12 HA CYS 12 -6.231 -6.057 -4.587
72 HB2 CYS 12 1HB CYS 12 -4.950 -5.895 -6.672
73 HB3 CYS 12 2HB CYS 12 -6.271 -7.046 -6.831
74 HG CYS 12 HG CYS 12 -5.570 -4.482 -8.713
75 H PHE 13 H PHE 13 -4.469 -4.527 -4.506
76 HA PHE 13 HA PHE 13 -5.370 -1.736 -4.790
77 HB2 PHE 13 1HB PHE 13 -3.357 -2.628 -2.739
78 HB3 PHE 13 2HB PHE 13 -4.301 -1.142 -2.778
79 HD1 PHE 13 HD1 PHE 13 -6.697 -1.184 -2.202
80 HD2 PHE 13 HD2 PHE 13 -4.222 -4.621 -1.783
81 HE1 PHE 13 HE1 PHE 13 -8.383 -2.215 -0.737
82 HE2 PHE 13 HE2 PHE 13 -5.904 -5.658 -0.318
83 HZ PHE 13 HZ PHE 13 -7.989 -4.456 0.206
84 H LYS 14 H LYS 14 -4.229 -0.580 -6.184
85 HA LYS 14 HA LYS 14 -1.427 -1.342 -6.688
86 HB2 LYS 14 1HB LYS 14 -2.987 -1.906 -8.568
87 HB3 LYS 14 2HB LYS 14 -3.345 -0.191 -8.720
88 HG2 LYS 14 1HG LYS 14 -1.160 0.310 -9.432
89 HG3 LYS 14 2HG LYS 14 -0.551 -1.269 -8.930
90 HD2 LYS 14 1HD LYS 14 -1.510 -2.356 -10.737
91 HD3 LYS 14 2HD LYS 14 -2.707 -1.085 -10.996
92 HE2 LYS 14 1HE LYS 14 -1.300 -0.622 -12.726
93 HE3 LYS 14 2HE LYS 14 -0.535 0.352 -11.472
94 HZ1 LYS 14 3HZ LYS 14 1.303 -0.767 -11.993
95 HZ2 LYS 14 1HZ LYS 14 0.461 -1.958 -12.852
96 HZ3 LYS 14 2HZ LYS 14 0.623 -2.082 -11.173
97 H CYS 15 H CYS 15 0.064 0.244 -6.618
98 HA CYS 15 HA CYS 15 -0.739 2.820 -5.621
99 HB2 CYS 15 1HB CYS 15 1.361 1.471 -4.974
100 HB3 CYS 15 2HB CYS 15 2.051 2.081 -6.475
101 H ASN 16 H ASN 16 -1.025 4.643 -6.734
102 HA ASN 16 HA ASN 16 -0.624 4.587 -9.617
103 HB2 ASN 16 1HB ASN 16 -2.098 6.435 -7.751
104 HB3 ASN 16 2HB ASN 16 -1.813 6.864 -9.435
105 HD21 ASN 16 1HD2 ASN 16 -4.308 6.826 -8.945
106 HD22 ASN 16 2HD2 ASN 16 -5.100 5.375 -9.447
107 H LYS 17 H LYS 17 1.691 4.729 -7.878
108 HA LYS 17 HA LYS 17 2.813 7.252 -8.881
109 HB2 LYS 17 1HB LYS 17 3.095 6.124 -6.097
110 HB3 LYS 17 2HB LYS 17 4.186 7.341 -6.747
111 HG2 LYS 17 1HG LYS 17 1.232 7.802 -6.751
112 HG3 LYS 17 2HG LYS 17 2.186 8.079 -5.292
113 HD2 LYS 17 1HD LYS 17 3.374 9.821 -6.242
114 HD3 LYS 17 2HD LYS 17 3.072 9.263 -7.889
115 HE2 LYS 17 1HE LYS 17 0.889 10.293 -6.095
116 HE3 LYS 17 2HE LYS 17 1.832 11.349 -7.146
117 HZ1 LYS 17 3HZ LYS 17 -0.316 9.579 -7.804
118 HZ2 LYS 17 1HZ LYS 17 1.040 9.322 -8.783
119 HZ3 LYS 17 2HZ LYS 17 0.337 10.858 -8.697
120 H CYS 18 H CYS 18 3.477 4.024 -7.577
121 HA CYS 18 HA CYS 18 6.014 4.002 -9.068
122 HB2 CYS 18 1HB CYS 18 6.560 2.027 -7.591
123 HB3 CYS 18 2HB CYS 18 6.415 3.570 -6.757
124 H GLU 19 H GLU 19 2.900 2.527 -8.768
125 HA GLU 19 HA GLU 19 1.786 1.104 -10.165
126 HB2 GLU 19 1HB GLU 19 4.286 0.836 -11.822
127 HB3 GLU 19 2HB GLU 19 2.618 0.607 -12.326
128 HG2 GLU 19 1HG GLU 19 3.550 3.277 -11.366
129 HG3 GLU 19 2HG GLU 19 3.875 2.753 -13.017
130 H LYS 20 H LYS 20 3.129 0.203 -7.854
131 HA LYS 20 HA LYS 20 3.991 -2.498 -8.655
132 HB2 LYS 20 1HB LYS 20 4.837 -0.673 -6.462
133 HB3 LYS 20 2HB LYS 20 4.819 -2.397 -6.118
134 HG2 LYS 20 1HG LYS 20 6.194 -2.631 -8.277
135 HG3 LYS 20 2HG LYS 20 6.467 -0.895 -8.115
136 HD2 LYS 20 1HD LYS 20 7.417 -1.236 -5.898
137 HD3 LYS 20 2HD LYS 20 7.098 -2.968 -6.012
138 HE2 LYS 20 1HE LYS 20 8.541 -2.880 -8.138
139 HE3 LYS 20 2HE LYS 20 9.078 -1.311 -7.541
140 HZ1 LYS 20 3HZ LYS 20 9.475 -2.710 -5.371
141 HZ2 LYS 20 1HZ LYS 20 10.635 -2.649 -6.601
142 HZ3 LYS 20 2HZ LYS 20 9.603 -3.984 -6.476
143 H THR 21 H THR 21 2.373 -3.899 -8.475
144 HA THR 21 HA THR 21 0.079 -3.505 -6.874
145 HB THR 21 HB THR 21 -0.421 -5.908 -7.384
146 HG1 THR 21 HG1 THR 21 2.041 -5.751 -8.818
147 HG21 THR 21 3HG2 THR 21 -0.959 -3.943 -8.905
148 HG22 THR 21 1HG2 THR 21 -0.915 -5.532 -9.667
149 HG23 THR 21 2HG2 THR 21 0.445 -4.425 -9.857
150 H PHE 22 H PHE 22 -0.554 -4.407 -4.936
151 HA PHE 22 HA PHE 22 1.548 -5.787 -3.400
152 HB2 PHE 22 1HB PHE 22 -0.366 -3.634 -2.496
153 HB3 PHE 22 2HB PHE 22 0.529 -4.651 -1.371
154 HD1 PHE 22 HD1 PHE 22 2.942 -4.439 -1.150
155 HD2 PHE 22 HD2 PHE 22 0.727 -1.914 -3.765
156 HE1 PHE 22 HE1 PHE 22 4.863 -2.908 -1.294
157 HE2 PHE 22 HE2 PHE 22 2.644 -0.380 -3.913
158 HZ PHE 22 HZ PHE 22 4.716 -0.876 -2.678
159 H SER 23 H SER 23 0.692 -7.067 -1.555
160 HA SER 23 HA SER 23 -1.509 -8.695 -2.466
161 HB2 SER 23 1HB SER 23 -0.944 -10.139 -0.556
162 HB3 SER 23 2HB SER 23 0.493 -9.744 -1.498
163 HG SER 23 HG SER 23 0.685 -7.945 0.133
164 H CYS 24 H CYS 24 -0.799 -6.765 0.438
165 HA CYS 24 HA CYS 24 -3.677 -6.779 1.055
166 HB2 CYS 24 1HB CYS 24 -1.229 -6.705 2.762
167 HB3 CYS 24 2HB CYS 24 -2.677 -5.894 3.346
168 HG CYS 24 HG CYS 24 -2.035 -9.181 3.049
169 H SER 25 H SER 25 -4.273 -4.721 2.401
170 HA SER 25 HA SER 25 -3.648 -2.461 0.687
171 HB2 SER 25 1HB SER 25 -6.001 -3.081 1.469
172 HB3 SER 25 2HB SER 25 -5.528 -2.457 3.049
173 HG SER 25 HG SER 25 -4.821 -0.580 1.466
174 H LYS 26 H LYS 26 -3.611 -3.168 4.177
175 HA LYS 26 HA LYS 26 -2.606 -0.867 5.207
176 HB2 LYS 26 1HB LYS 26 -1.698 -2.140 7.017
177 HB3 LYS 26 2HB LYS 26 -3.156 -2.961 6.477
178 HG2 LYS 26 1HG LYS 26 -1.778 -4.751 6.665
179 HG3 LYS 26 2HG LYS 26 -1.418 -4.299 4.997
180 HD2 LYS 26 1HD LYS 26 0.640 -3.412 5.542
181 HD3 LYS 26 2HD LYS 26 0.178 -3.096 7.216
182 HE2 LYS 26 1HE LYS 26 0.051 -5.659 7.435
183 HE3 LYS 26 2HE LYS 26 0.977 -5.688 5.935
184 HZ1 LYS 26 3HZ LYS 26 2.101 -5.617 8.333
185 HZ2 LYS 26 1HZ LYS 26 1.992 -3.955 8.038
186 HZ3 LYS 26 2HZ LYS 26 2.829 -4.952 6.958
187 H TYR 27 H TYR 27 -0.813 -3.327 3.436
188 HA TYR 27 HA TYR 27 1.768 -2.269 3.911
189 HB2 TYR 27 1HB TYR 27 0.579 -4.236 2.023
190 HB3 TYR 27 2HB TYR 27 2.146 -3.557 1.598
191 HD1 TYR 27 HD1 TYR 27 3.733 -3.430 3.871
192 HD2 TYR 27 HD2 TYR 27 0.716 -6.305 3.014
193 HE1 TYR 27 HE1 TYR 27 4.840 -5.031 5.375
194 HE2 TYR 27 HE2 TYR 27 1.814 -7.913 4.517
195 HH TYR 27 HH TYR 27 4.274 -8.243 5.378
196 H LEU 28 H LEU 28 -0.591 -1.787 1.318
197 HA LEU 28 HA LEU 28 1.081 -0.104 -0.252
198 HB2 LEU 28 1HB LEU 28 -0.716 -1.234 -1.324
199 HB3 LEU 28 2HB LEU 28 -1.892 -0.560 -0.198
200 HG LEU 28 HG LEU 28 -1.522 1.669 -1.180
201 HD11 LEU 28 1HD1 LEU 28 -0.120 0.540 -3.519
202 HD12 LEU 28 2HD1 LEU 28 0.839 0.755 -2.055
203 HD13 LEU 28 3HD1 LEU 28 0.008 2.134 -2.773
204 HD21 LEU 28 3HD2 LEU 28 -3.378 0.549 -2.058
205 HD22 LEU 28 1HD2 LEU 28 -2.378 -0.603 -2.943
206 HD23 LEU 28 2HD2 LEU 28 -2.476 1.074 -3.480
207 H THR 29 H THR 29 -1.487 0.512 2.110
208 HA THR 29 HA THR 29 -1.720 3.253 1.879
209 HB THR 29 HB THR 29 -1.840 1.633 4.431
210 HG1 THR 29 HG1 THR 29 -4.027 2.508 2.851
211 HG21 THR 29 3HG2 THR 29 -1.624 4.056 4.831
212 HG22 THR 29 1HG2 THR 29 -3.208 3.445 5.308
213 HG23 THR 29 2HG2 THR 29 -3.024 4.339 3.798
214 H GLN 30 H GLN 30 0.304 1.586 4.305
215 HA GLN 30 HA GLN 30 1.670 3.875 5.156
216 HB2 GLN 30 1HB GLN 30 1.550 1.448 6.149
217 HB3 GLN 30 2HB GLN 30 2.998 1.192 5.185
218 HG2 GLN 30 1HG GLN 30 3.997 3.184 6.335
219 HG3 GLN 30 2HG GLN 30 2.601 3.170 7.412
220 HE21 GLN 30 1HE2 GLN 30 3.158 2.362 9.295
221 HE22 GLN 30 2HE2 GLN 30 4.158 0.978 9.557
222 H HIS 31 H HIS 31 2.453 1.509 2.647
223 HA HIS 31 HA HIS 31 5.024 2.339 2.012
224 HB2 HIS 31 1HB HIS 31 4.458 0.411 0.896
225 HB3 HIS 31 2HB HIS 31 2.835 0.978 0.516
226 HD1 HIS 31 HD1 HIS 31 6.093 0.471 -0.968
227 HD2 HIS 31 HD2 HIS 31 2.865 2.998 -1.642
228 HE1 HIS 31 HE1 HIS 31 6.410 1.360 -3.299
229 H GLU 32 H GLU 32 1.968 3.401 0.510
230 HA GLU 32 HA GLU 32 2.723 5.156 -1.352
231 HB2 GLU 32 1HB GLU 32 0.605 5.478 0.760
232 HB3 GLU 32 2HB GLU 32 0.833 6.687 -0.496
233 HG2 GLU 32 1HG GLU 32 0.636 4.667 -2.114
234 HG3 GLU 32 2HG GLU 32 -0.119 3.870 -0.735
235 H ARG 33 H ARG 33 3.207 5.575 2.080
236 HA ARG 33 HA ARG 33 3.763 8.285 2.232
237 HB2 ARG 33 1HB ARG 33 4.971 5.964 3.739
238 HB3 ARG 33 2HB ARG 33 5.271 7.647 4.152
239 HG2 ARG 33 1HG ARG 33 2.653 7.772 4.214
240 HG3 ARG 33 2HG ARG 33 2.794 6.030 4.457
241 HD2 ARG 33 1HD ARG 33 4.384 7.968 6.103
242 HD3 ARG 33 2HD ARG 33 2.723 7.556 6.528
243 HE ARG 33 HE ARG 33 3.822 5.137 6.298
244 HH11 ARG 33 1HH1 ARG 33 4.933 8.009 7.922
245 HH12 ARG 33 2HH1 ARG 33 5.797 7.140 9.146
246 HH21 ARG 33 1HH2 ARG 33 4.956 3.981 7.905
247 HH22 ARG 33 2HH2 ARG 33 5.810 4.849 9.135
248 H ILE 34 H ILE 34 6.006 5.616 1.522
249 HA ILE 34 HA ILE 34 8.402 6.827 1.349
250 HB ILE 34 HB ILE 34 9.075 5.281 -0.349
251 HG12 ILE 34 1HG1 ILE 34 6.294 4.352 -0.890
252 HG13 ILE 34 2HG1 ILE 34 6.826 5.841 -1.662
253 HG21 ILE 34 1HG2 ILE 34 7.378 3.286 0.612
254 HG22 ILE 34 2HG2 ILE 34 8.945 3.760 1.265
255 HG23 ILE 34 3HG2 ILE 34 7.468 4.482 1.905
256 HD11 ILE 34 3HD1 ILE 34 7.680 4.571 -3.259
257 HD12 ILE 34 1HD1 ILE 34 8.906 4.066 -2.096
258 HD13 ILE 34 2HD1 ILE 34 7.444 3.102 -2.312
259 H HIS 35 H HIS 35 5.673 7.470 -0.678
260 HA HIS 35 HA HIS 35 7.229 8.932 -2.645
261 HB2 HIS 35 1HB HIS 35 4.225 8.718 -2.371
262 HB3 HIS 35 2HB HIS 35 5.112 9.309 -3.773
263 HD1 HIS 35 HD1 HIS 35 7.038 7.240 -4.481
264 HD2 HIS 35 HD2 HIS 35 3.320 6.244 -2.917
265 HE1 HIS 35 HE1 HIS 35 6.624 4.864 -5.192
266 H THR 36 H THR 36 8.134 10.490 -1.173
267 HA THR 36 HA THR 36 6.361 12.782 -0.811
268 HB THR 36 HB THR 36 7.587 13.126 1.480
269 HG1 THR 36 HG1 THR 36 7.685 10.295 1.137
270 HG21 THR 36 3HG2 THR 36 5.444 11.016 1.401
271 HG22 THR 36 1HG2 THR 36 5.113 12.701 1.000
272 HG23 THR 36 2HG2 THR 36 5.701 12.276 2.607
273 H ARG 37 H ARG 37 7.342 14.710 -1.159
274 HA ARG 37 HA ARG 37 10.077 14.639 -2.127
275 HB2 ARG 37 1HB ARG 37 8.330 15.832 -3.400
276 HB3 ARG 37 2HB ARG 37 8.099 16.924 -2.041
277 HG2 ARG 37 1HG ARG 37 9.479 18.191 -3.328
278 HG3 ARG 37 2HG ARG 37 10.682 17.329 -2.367
279 HD2 ARG 37 1HD ARG 37 9.741 16.167 -4.952
280 HD3 ARG 37 2HD ARG 37 10.923 17.475 -4.965
281 HE ARG 37 HE ARG 37 11.612 15.306 -3.208
282 HH11 ARG 37 1HH1 ARG 37 11.778 16.520 -6.467
283 HH12 ARG 37 2HH1 ARG 37 13.176 15.584 -6.883
284 HH21 ARG 37 1HH2 ARG 37 13.452 14.069 -3.744
285 HH22 ARG 37 2HH2 ARG 37 14.126 14.190 -5.333
286 H GLY 38 H GLY 38 11.800 15.239 -0.985
287 HA2 GLY 38 1HA GLY 38 12.776 17.022 0.428
288 HA3 GLY 38 2HA GLY 38 11.350 16.865 1.442
289 H VAL 39 H VAL 39 13.714 14.590 0.042
290 HA VAL 39 HA VAL 39 13.940 13.353 2.705
291 HB VAL 39 HB VAL 39 14.757 11.339 1.540
292 HG11 VAL 39 1HG1 VAL 39 12.435 11.198 0.097
293 HG12 VAL 39 2HG1 VAL 39 12.583 10.882 1.827
294 HG13 VAL 39 3HG1 VAL 39 12.079 12.474 1.260
295 HG21 VAL 39 3HG2 VAL 39 14.153 12.927 -0.952
296 HG22 VAL 39 1HG2 VAL 39 15.728 12.330 -0.428
297 HG23 VAL 39 2HG2 VAL 39 14.473 11.193 -0.922
298 H LYS 40 H LYS 40 16.098 12.355 3.163
299 HA LYS 40 HA LYS 40 18.167 14.320 2.630
300 HB2 LYS 40 1HB LYS 40 17.831 12.052 4.552
301 HB3 LYS 40 2HB LYS 40 19.449 12.655 4.217
302 HG2 LYS 40 1HG LYS 40 19.028 14.711 5.175
303 HG3 LYS 40 2HG LYS 40 17.280 14.561 4.976
304 HD2 LYS 40 1HD LYS 40 17.664 14.271 7.279
305 HD3 LYS 40 2HD LYS 40 17.417 12.642 6.646
306 HE2 LYS 40 1HE LYS 40 19.638 12.072 6.878
307 HE3 LYS 40 2HE LYS 40 20.185 13.746 6.796
308 HZ1 LYS 40 3HZ LYS 40 20.276 13.718 8.996
309 HZ2 LYS 40 1HZ LYS 40 19.565 12.185 9.076
310 HZ3 LYS 40 2HZ LYS 40 18.592 13.568 9.045
311 H SER 41 H SER 41 18.648 13.926 0.449
312 HA SER 41 HA SER 41 20.540 11.784 0.036
313 HB2 SER 41 1HB SER 41 18.356 10.714 -0.495
314 HB3 SER 41 2HB SER 41 18.084 11.943 -1.730
315 HG SER 41 HG SER 41 20.205 10.056 -1.655
316 H GLY 42 H GLY 42 21.970 12.185 -1.641
317 HA2 GLY 42 1HA GLY 42 22.912 13.336 -3.432
318 HA3 GLY 42 2HA GLY 42 21.489 14.367 -3.484
319 HA PRO 43 HA PRO 43 25.249 16.262 -1.133
320 HB2 PRO 43 1HB PRO 43 26.637 17.408 -3.165
321 HB3 PRO 43 2HB PRO 43 26.982 15.782 -2.564
322 HG2 PRO 43 1HG PRO 43 25.402 16.619 -4.965
323 HG3 PRO 43 2HG PRO 43 26.589 15.311 -4.807
324 HD2 PRO 43 1HD PRO 43 23.918 14.870 -4.750
325 HD3 PRO 43 2HD PRO 43 25.068 13.881 -3.829
326 H SER 44 H SER 44 23.502 17.603 -0.447
327 HA SER 44 HA SER 44 22.028 19.433 -1.765
328 HB2 SER 44 1HB SER 44 23.426 19.932 0.875
329 HB3 SER 44 2HB SER 44 22.019 20.811 0.278
330 HG SER 44 HG SER 44 21.064 18.572 0.157
331 H SER 45 H SER 45 25.299 20.092 -0.512
332 HA SER 45 HA SER 45 25.412 22.559 -2.053
333 HB2 SER 45 1HB SER 45 26.296 22.207 0.371
334 HB3 SER 45 2HB SER 45 27.689 21.469 -0.421
335 HG SER 45 HG SER 45 28.302 23.508 -0.433
336 H GLY 46 H GLY 46 25.459 21.735 -4.174
337 HA2 GLY 46 1HA GLY 46 26.498 21.059 -6.105
338 HA3 GLY 46 2HA GLY 46 28.015 21.329 -5.260
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -21.266 8.111 -8.305
2 HA2 GLY 1 1HA GLY 1 -19.296 6.564 -9.006
3 HA3 GLY 1 2HA GLY 1 -19.445 6.016 -7.343
4 H SER 2 H SER 2 -20.263 5.290 -10.424
5 HA SER 2 HA SER 2 -22.917 4.243 -9.865
6 HB2 SER 2 1HB SER 2 -21.216 4.495 -12.320
7 HB3 SER 2 2HB SER 2 -22.564 3.358 -12.310
8 HG SER 2 HG SER 2 -22.712 6.142 -11.765
9 H SER 3 H SER 3 -22.602 2.603 -8.386
10 HA SER 3 HA SER 3 -20.718 0.716 -8.121
11 HB2 SER 3 1HB SER 3 -22.591 0.671 -6.642
12 HB3 SER 3 2HB SER 3 -23.713 0.351 -7.964
13 HG SER 3 HG SER 3 -23.416 -1.639 -7.288
14 H GLY 4 H GLY 4 -19.642 -0.314 -9.683
15 HA2 GLY 4 1HA GLY 4 -21.137 -1.398 -11.968
16 HA3 GLY 4 2HA GLY 4 -19.399 -1.143 -11.906
17 H SER 5 H SER 5 -18.364 -3.012 -12.011
18 HA SER 5 HA SER 5 -19.599 -5.470 -11.165
19 HB2 SER 5 1HB SER 5 -17.918 -5.023 -13.145
20 HB3 SER 5 2HB SER 5 -16.701 -5.292 -11.898
21 HG SER 5 HG SER 5 -18.731 -7.071 -12.760
22 H SER 6 H SER 6 -19.871 -5.070 -8.915
23 HA SER 6 HA SER 6 -18.169 -4.261 -7.008
24 HB2 SER 6 1HB SER 6 -19.876 -6.756 -6.832
25 HB3 SER 6 2HB SER 6 -19.213 -5.877 -5.455
26 HG SER 6 HG SER 6 -21.312 -5.188 -5.798
27 H GLY 7 H GLY 7 -16.269 -4.829 -6.129
28 HA2 GLY 7 1HA GLY 7 -15.270 -7.536 -6.300
29 HA3 GLY 7 2HA GLY 7 -14.400 -6.390 -7.308
30 H GLN 8 H GLN 8 -15.501 -6.874 -3.963
31 HA GLN 8 HA GLN 8 -13.471 -5.080 -2.952
32 HB2 GLN 8 1HB GLN 8 -15.575 -6.785 -1.629
33 HB3 GLN 8 2HB GLN 8 -14.379 -5.883 -0.707
34 HG2 GLN 8 1HG GLN 8 -15.275 -3.846 -1.271
35 HG3 GLN 8 2HG GLN 8 -16.024 -4.462 -2.742
36 HE21 GLN 8 1HE2 GLN 8 -18.139 -4.384 -2.610
37 HE22 GLN 8 2HE2 GLN 8 -19.092 -4.737 -1.213
38 H LYS 9 H LYS 9 -14.221 -8.545 -2.585
39 HA LYS 9 HA LYS 9 -11.947 -9.243 -1.123
40 HB2 LYS 9 1HB LYS 9 -13.975 -10.673 -1.491
41 HB3 LYS 9 2HB LYS 9 -13.390 -10.995 -3.118
42 HG2 LYS 9 1HG LYS 9 -11.289 -11.898 -2.060
43 HG3 LYS 9 2HG LYS 9 -12.131 -11.798 -0.511
44 HD2 LYS 9 1HD LYS 9 -12.614 -13.960 -1.095
45 HD3 LYS 9 2HD LYS 9 -13.991 -13.129 -1.823
46 HE2 LYS 9 1HE LYS 9 -13.123 -14.673 -3.429
47 HE3 LYS 9 2HE LYS 9 -12.715 -13.044 -3.964
48 HZ1 LYS 9 3HZ LYS 9 -10.722 -14.338 -2.307
49 HZ2 LYS 9 1HZ LYS 9 -10.531 -13.420 -3.715
50 HZ3 LYS 9 2HZ LYS 9 -10.963 -15.052 -3.821
51 H GLU 10 H GLU 10 -12.504 -9.510 -4.635
52 HA GLU 10 HA GLU 10 -9.702 -10.095 -5.087
53 HB2 GLU 10 1HB GLU 10 -11.622 -11.151 -6.372
54 HB3 GLU 10 2HB GLU 10 -11.820 -9.601 -7.176
55 HG2 GLU 10 1HG GLU 10 -9.451 -9.772 -7.931
56 HG3 GLU 10 2HG GLU 10 -9.416 -11.405 -7.267
57 H LYS 11 H LYS 11 -10.059 -7.606 -3.900
58 HA LYS 11 HA LYS 11 -9.833 -5.608 -6.006
59 HB2 LYS 11 1HB LYS 11 -11.100 -5.269 -3.809
60 HB3 LYS 11 2HB LYS 11 -9.521 -5.141 -3.045
61 HG2 LYS 11 1HG LYS 11 -9.100 -3.335 -4.882
62 HG3 LYS 11 2HG LYS 11 -10.863 -3.284 -4.949
63 HD2 LYS 11 1HD LYS 11 -9.313 -3.023 -2.381
64 HD3 LYS 11 2HD LYS 11 -9.757 -1.636 -3.378
65 HE2 LYS 11 1HE LYS 11 -12.130 -2.313 -3.184
66 HE3 LYS 11 2HE LYS 11 -11.641 -3.618 -2.103
67 HZ1 LYS 11 3HZ LYS 11 -11.428 -0.700 -1.627
68 HZ2 LYS 11 1HZ LYS 11 -10.648 -1.849 -0.660
69 HZ3 LYS 11 2HZ LYS 11 -12.337 -1.829 -0.754
70 H CYS 12 H CYS 12 -7.914 -5.601 -7.008
71 HA CYS 12 HA CYS 12 -5.469 -6.245 -5.634
72 HB2 CYS 12 1HB CYS 12 -6.187 -5.482 -8.444
73 HB3 CYS 12 2HB CYS 12 -4.505 -5.445 -7.931
74 HG CYS 12 HG CYS 12 -4.162 -8.071 -7.613
75 H PHE 13 H PHE 13 -4.586 -4.823 -4.287
76 HA PHE 13 HA PHE 13 -5.031 -2.002 -4.513
77 HB2 PHE 13 1HB PHE 13 -3.042 -3.428 -2.739
78 HB3 PHE 13 2HB PHE 13 -3.689 -1.806 -2.518
79 HD1 PHE 13 HD1 PHE 13 -6.256 -1.631 -2.212
80 HD2 PHE 13 HD2 PHE 13 -4.025 -5.213 -1.658
81 HE1 PHE 13 HE1 PHE 13 -8.073 -2.545 -0.827
82 HE2 PHE 13 HE2 PHE 13 -5.838 -6.133 -0.273
83 HZ PHE 13 HZ PHE 13 -7.866 -4.799 0.143
84 H LYS 14 H LYS 14 -4.117 -1.022 -6.224
85 HA LYS 14 HA LYS 14 -1.253 -1.500 -6.720
86 HB2 LYS 14 1HB LYS 14 -2.733 -2.060 -8.613
87 HB3 LYS 14 2HB LYS 14 -3.348 -0.412 -8.611
88 HG2 LYS 14 1HG LYS 14 -1.119 0.424 -9.157
89 HG3 LYS 14 2HG LYS 14 -0.500 -1.229 -9.157
90 HD2 LYS 14 1HD LYS 14 -1.924 -1.808 -11.017
91 HD3 LYS 14 2HD LYS 14 -2.696 -0.221 -10.965
92 HE2 LYS 14 1HE LYS 14 -1.185 0.136 -12.640
93 HE3 LYS 14 2HE LYS 14 -0.208 0.611 -11.251
94 HZ1 LYS 14 3HZ LYS 14 -0.147 -2.187 -12.133
95 HZ2 LYS 14 1HZ LYS 14 1.060 -1.269 -11.383
96 HZ3 LYS 14 2HZ LYS 14 0.718 -1.038 -13.023
97 H CYS 15 H CYS 15 0.076 0.319 -7.244
98 HA CYS 15 HA CYS 15 -0.807 2.757 -5.879
99 HB2 CYS 15 1HB CYS 15 1.408 1.452 -5.385
100 HB3 CYS 15 2HB CYS 15 2.004 2.292 -6.813
101 H ASN 16 H ASN 16 0.252 4.819 -6.829
102 HA ASN 16 HA ASN 16 -0.335 4.843 -9.711
103 HB2 ASN 16 1HB ASN 16 -1.823 6.374 -8.866
104 HB3 ASN 16 2HB ASN 16 -0.783 6.797 -7.509
105 HD21 ASN 16 1HD2 ASN 16 -0.733 8.957 -7.717
106 HD22 ASN 16 2HD2 ASN 16 -0.111 9.793 -9.094
107 H LYS 17 H LYS 17 1.796 6.376 -7.303
108 HA LYS 17 HA LYS 17 3.547 7.615 -9.077
109 HB2 LYS 17 1HB LYS 17 4.187 6.443 -6.364
110 HB3 LYS 17 2HB LYS 17 5.158 7.632 -7.222
111 HG2 LYS 17 1HG LYS 17 2.309 8.272 -6.668
112 HG3 LYS 17 2HG LYS 17 3.466 8.336 -5.336
113 HD2 LYS 17 1HD LYS 17 4.894 9.813 -6.792
114 HD3 LYS 17 2HD LYS 17 3.538 9.886 -7.920
115 HE2 LYS 17 1HE LYS 17 3.415 10.702 -5.018
116 HE3 LYS 17 2HE LYS 17 3.639 11.816 -6.366
117 HZ1 LYS 17 3HZ LYS 17 1.498 11.441 -7.134
118 HZ2 LYS 17 1HZ LYS 17 1.290 11.468 -5.456
119 HZ3 LYS 17 2HZ LYS 17 1.321 9.992 -6.280
120 H CYS 18 H CYS 18 4.243 4.605 -7.288
121 HA CYS 18 HA CYS 18 6.292 3.894 -9.195
122 HB2 CYS 18 1HB CYS 18 6.675 1.959 -7.746
123 HB3 CYS 18 2HB CYS 18 6.608 3.442 -6.800
124 H GLU 19 H GLU 19 3.036 2.849 -8.361
125 HA GLU 19 HA GLU 19 1.496 1.689 -9.589
126 HB2 GLU 19 1HB GLU 19 3.552 1.273 -11.747
127 HB3 GLU 19 2HB GLU 19 1.801 1.304 -11.899
128 HG2 GLU 19 1HG GLU 19 1.742 3.665 -11.540
129 HG3 GLU 19 2HG GLU 19 3.460 3.696 -11.144
130 H LYS 20 H LYS 20 2.947 0.423 -7.633
131 HA LYS 20 HA LYS 20 3.603 -2.211 -8.758
132 HB2 LYS 20 1HB LYS 20 4.380 -0.805 -6.223
133 HB3 LYS 20 2HB LYS 20 4.472 -2.558 -6.326
134 HG2 LYS 20 1HG LYS 20 5.909 -2.252 -8.369
135 HG3 LYS 20 2HG LYS 20 5.966 -0.534 -7.970
136 HD2 LYS 20 1HD LYS 20 7.049 -0.971 -5.894
137 HD3 LYS 20 2HD LYS 20 6.769 -2.707 -6.044
138 HE2 LYS 20 1HE LYS 20 8.945 -2.611 -6.726
139 HE3 LYS 20 2HE LYS 20 8.142 -2.374 -8.277
140 HZ1 LYS 20 3HZ LYS 20 8.531 -0.065 -8.181
141 HZ2 LYS 20 1HZ LYS 20 9.998 -0.793 -7.754
142 HZ3 LYS 20 2HZ LYS 20 9.007 -0.121 -6.559
143 H THR 21 H THR 21 2.318 -3.909 -8.410
144 HA THR 21 HA THR 21 -0.186 -3.549 -7.065
145 HB THR 21 HB THR 21 -0.546 -5.971 -7.624
146 HG1 THR 21 HG1 THR 21 1.197 -6.601 -9.300
147 HG21 THR 21 3HG2 THR 21 0.280 -4.993 -10.222
148 HG22 THR 21 1HG2 THR 21 -0.533 -3.739 -9.287
149 HG23 THR 21 2HG2 THR 21 -1.343 -5.275 -9.592
150 H PHE 22 H PHE 22 -0.919 -4.502 -5.185
151 HA PHE 22 HA PHE 22 1.078 -5.916 -3.552
152 HB2 PHE 22 1HB PHE 22 -0.760 -3.687 -2.658
153 HB3 PHE 22 2HB PHE 22 0.167 -4.703 -1.558
154 HD1 PHE 22 HD1 PHE 22 2.634 -4.587 -1.554
155 HD2 PHE 22 HD2 PHE 22 0.253 -1.905 -3.846
156 HE1 PHE 22 HE1 PHE 22 4.560 -3.071 -1.775
157 HE2 PHE 22 HE2 PHE 22 2.175 -0.386 -4.072
158 HZ PHE 22 HZ PHE 22 4.333 -0.968 -3.036
159 H SER 23 H SER 23 0.092 -7.127 -1.727
160 HA SER 23 HA SER 23 -2.526 -8.215 -2.530
161 HB2 SER 23 1HB SER 23 -0.081 -9.505 -1.358
162 HB3 SER 23 2HB SER 23 -1.668 -10.237 -1.114
163 HG SER 23 HG SER 23 -1.819 -9.967 -3.529
164 H CYS 24 H CYS 24 -2.120 -5.905 -0.820
165 HA CYS 24 HA CYS 24 -3.909 -6.583 1.268
166 HB2 CYS 24 1HB CYS 24 -1.602 -7.447 2.073
167 HB3 CYS 24 2HB CYS 24 -1.215 -5.747 2.307
168 HG CYS 24 HG CYS 24 -2.672 -7.735 4.375
169 H SER 25 H SER 25 -4.469 -4.721 2.611
170 HA SER 25 HA SER 25 -4.283 -2.274 1.067
171 HB2 SER 25 1HB SER 25 -5.849 -3.006 3.548
172 HB3 SER 25 2HB SER 25 -5.901 -1.411 2.798
173 HG SER 25 HG SER 25 -7.365 -3.470 2.174
174 H LYS 26 H LYS 26 -3.328 -3.465 4.253
175 HA LYS 26 HA LYS 26 -2.370 -1.060 5.316
176 HB2 LYS 26 1HB LYS 26 -2.695 -2.967 6.744
177 HB3 LYS 26 2HB LYS 26 -1.535 -3.917 5.825
178 HG2 LYS 26 1HG LYS 26 0.185 -2.163 6.522
179 HG3 LYS 26 2HG LYS 26 -1.019 -1.639 7.702
180 HD2 LYS 26 1HD LYS 26 0.183 -3.155 8.945
181 HD3 LYS 26 2HD LYS 26 -1.094 -4.190 8.301
182 HE2 LYS 26 1HE LYS 26 1.435 -3.877 6.754
183 HE3 LYS 26 2HE LYS 26 1.431 -4.913 8.180
184 HZ1 LYS 26 3HZ LYS 26 0.524 -5.523 5.617
185 HZ2 LYS 26 1HZ LYS 26 -0.834 -5.494 6.626
186 HZ3 LYS 26 2HZ LYS 26 0.475 -6.500 6.997
187 H TYR 27 H TYR 27 -0.493 -3.696 3.810
188 HA TYR 27 HA TYR 27 1.994 -2.579 3.795
189 HB2 TYR 27 1HB TYR 27 0.653 -4.265 1.680
190 HB3 TYR 27 2HB TYR 27 2.363 -3.851 1.630
191 HD1 TYR 27 HD1 TYR 27 3.125 -4.098 4.462
192 HD2 TYR 27 HD2 TYR 27 0.599 -6.559 2.081
193 HE1 TYR 27 HE1 TYR 27 3.635 -6.017 5.914
194 HE2 TYR 27 HE2 TYR 27 1.101 -8.483 3.527
195 HH TYR 27 HH TYR 27 2.454 -8.227 6.526
196 H LEU 28 H LEU 28 -0.634 -1.938 1.521
197 HA LEU 28 HA LEU 28 0.890 -0.222 -0.166
198 HB2 LEU 28 1HB LEU 28 -1.091 -1.348 -0.984
199 HB3 LEU 28 2HB LEU 28 -2.088 -0.509 0.202
200 HG LEU 28 HG LEU 28 -1.573 1.628 -0.940
201 HD11 LEU 28 1HD1 LEU 28 0.536 1.114 -1.953
202 HD12 LEU 28 2HD1 LEU 28 -0.619 1.493 -3.231
203 HD13 LEU 28 3HD1 LEU 28 -0.184 -0.185 -2.906
204 HD21 LEU 28 3HD2 LEU 28 -3.494 -0.090 -1.512
205 HD22 LEU 28 1HD2 LEU 28 -2.641 -0.169 -3.055
206 HD23 LEU 28 2HD2 LEU 28 -3.255 1.376 -2.464
207 H THR 29 H THR 29 -1.850 0.578 1.975
208 HA THR 29 HA THR 29 -1.859 3.238 2.016
209 HB THR 29 HB THR 29 -1.875 1.561 4.534
210 HG1 THR 29 HG1 THR 29 -4.030 2.468 2.899
211 HG21 THR 29 3HG2 THR 29 -1.810 4.317 4.336
212 HG22 THR 29 1HG2 THR 29 -2.400 3.390 5.715
213 HG23 THR 29 2HG2 THR 29 -3.529 3.955 4.484
214 H GLN 30 H GLN 30 0.239 1.482 4.311
215 HA GLN 30 HA GLN 30 1.714 3.711 5.122
216 HB2 GLN 30 1HB GLN 30 1.680 1.567 6.337
217 HB3 GLN 30 2HB GLN 30 2.601 0.822 5.038
218 HG2 GLN 30 1HG GLN 30 3.975 1.417 6.992
219 HG3 GLN 30 2HG GLN 30 4.498 2.210 5.507
220 HE21 GLN 30 1HE2 GLN 30 5.592 3.640 7.039
221 HE22 GLN 30 2HE2 GLN 30 4.715 4.972 7.701
222 H HIS 31 H HIS 31 2.338 1.355 2.553
223 HA HIS 31 HA HIS 31 4.875 2.149 1.786
224 HB2 HIS 31 1HB HIS 31 4.210 0.261 0.659
225 HB3 HIS 31 2HB HIS 31 2.578 0.866 0.388
226 HD1 HIS 31 HD1 HIS 31 5.935 0.677 -1.152
227 HD2 HIS 31 HD2 HIS 31 2.315 2.586 -1.871
228 HE1 HIS 31 HE1 HIS 31 6.079 1.524 -3.516
229 H GLU 32 H GLU 32 1.800 3.257 0.348
230 HA GLU 32 HA GLU 32 2.570 5.070 -1.457
231 HB2 GLU 32 1HB GLU 32 0.384 5.211 0.588
232 HB3 GLU 32 2HB GLU 32 0.647 6.565 -0.501
233 HG2 GLU 32 1HG GLU 32 0.393 3.824 -1.633
234 HG3 GLU 32 2HG GLU 32 -1.054 4.677 -1.095
235 H ARG 33 H ARG 33 3.026 5.369 1.982
236 HA ARG 33 HA ARG 33 3.521 8.088 2.237
237 HB2 ARG 33 1HB ARG 33 4.897 5.814 3.681
238 HB3 ARG 33 2HB ARG 33 4.881 7.494 4.201
239 HG2 ARG 33 1HG ARG 33 2.394 5.838 3.862
240 HG3 ARG 33 2HG ARG 33 3.271 5.995 5.386
241 HD2 ARG 33 1HD ARG 33 2.158 8.311 3.810
242 HD3 ARG 33 2HD ARG 33 1.333 7.541 5.164
243 HE ARG 33 HE ARG 33 3.889 8.299 6.007
244 HH11 ARG 33 1HH1 ARG 33 0.893 9.754 4.995
245 HH12 ARG 33 2HH1 ARG 33 1.118 11.188 5.942
246 HH21 ARG 33 1HH2 ARG 33 4.197 10.181 7.258
247 HH22 ARG 33 2HH2 ARG 33 2.999 11.430 7.228
248 H ILE 34 H ILE 34 5.810 5.481 1.452
249 HA ILE 34 HA ILE 34 8.189 6.742 1.354
250 HB ILE 34 HB ILE 34 8.909 5.262 -0.388
251 HG12 ILE 34 1HG1 ILE 34 6.163 4.265 -0.965
252 HG13 ILE 34 2HG1 ILE 34 6.635 5.802 -1.682
253 HG21 ILE 34 1HG2 ILE 34 8.429 4.260 1.797
254 HG22 ILE 34 2HG2 ILE 34 6.789 3.895 1.264
255 HG23 ILE 34 3HG2 ILE 34 8.164 3.116 0.482
256 HD11 ILE 34 3HD1 ILE 34 7.963 4.821 -3.178
257 HD12 ILE 34 1HD1 ILE 34 8.629 3.697 -1.994
258 HD13 ILE 34 2HD1 ILE 34 7.083 3.349 -2.768
259 H HIS 35 H HIS 35 5.470 7.405 -0.674
260 HA HIS 35 HA HIS 35 7.055 9.011 -2.523
261 HB2 HIS 35 1HB HIS 35 4.067 8.542 -2.491
262 HB3 HIS 35 2HB HIS 35 5.005 9.260 -3.798
263 HD1 HIS 35 HD1 HIS 35 7.131 7.395 -4.453
264 HD2 HIS 35 HD2 HIS 35 3.430 6.017 -3.162
265 HE1 HIS 35 HE1 HIS 35 6.976 5.021 -5.268
266 H THR 36 H THR 36 7.721 10.611 -1.001
267 HA THR 36 HA THR 36 5.770 12.746 -0.719
268 HB THR 36 HB THR 36 6.783 13.008 1.737
269 HG1 THR 36 HG1 THR 36 6.944 10.248 1.113
270 HG21 THR 36 3HG2 THR 36 4.338 12.437 0.699
271 HG22 THR 36 1HG2 THR 36 4.669 12.616 2.421
272 HG23 THR 36 2HG2 THR 36 4.624 11.010 1.694
273 H ARG 37 H ARG 37 6.709 14.806 -0.376
274 HA ARG 37 HA ARG 37 9.486 14.947 -1.262
275 HB2 ARG 37 1HB ARG 37 7.195 16.878 -1.200
276 HB3 ARG 37 2HB ARG 37 8.842 17.482 -1.325
277 HG2 ARG 37 1HG ARG 37 7.889 15.365 -3.201
278 HG3 ARG 37 2HG ARG 37 7.451 17.054 -3.471
279 HD2 ARG 37 1HD ARG 37 10.008 17.466 -3.134
280 HD3 ARG 37 2HD ARG 37 10.139 15.753 -3.531
281 HE ARG 37 HE ARG 37 9.611 17.887 -5.338
282 HH11 ARG 37 1HH1 ARG 37 8.919 14.534 -4.707
283 HH12 ARG 37 2HH1 ARG 37 8.623 14.148 -6.370
284 HH21 ARG 37 1HH2 ARG 37 9.224 17.391 -7.530
285 HH22 ARG 37 2HH2 ARG 37 8.798 15.773 -7.975
286 H GLY 38 H GLY 38 11.007 16.385 -0.237
287 HA2 GLY 38 1HA GLY 38 10.778 17.840 2.044
288 HA3 GLY 38 2HA GLY 38 10.880 16.189 2.637
289 H VAL 39 H VAL 39 12.561 18.663 0.772
290 HA VAL 39 HA VAL 39 14.779 19.111 0.506
291 HB VAL 39 HB VAL 39 15.355 17.029 2.607
292 HG11 VAL 39 1HG1 VAL 39 16.835 19.593 2.267
293 HG12 VAL 39 2HG1 VAL 39 17.402 18.034 2.867
294 HG13 VAL 39 3HG1 VAL 39 17.140 18.272 1.139
295 HG21 VAL 39 3HG2 VAL 39 15.273 19.665 3.694
296 HG22 VAL 39 1HG2 VAL 39 13.736 19.325 2.899
297 HG23 VAL 39 2HG2 VAL 39 14.335 18.247 4.159
298 H LYS 40 H LYS 40 13.661 17.361 -1.284
299 HA LYS 40 HA LYS 40 14.673 14.885 -1.719
300 HB2 LYS 40 1HB LYS 40 13.960 17.130 -3.536
301 HB3 LYS 40 2HB LYS 40 14.829 15.771 -4.236
302 HG2 LYS 40 1HG LYS 40 12.459 15.187 -2.548
303 HG3 LYS 40 2HG LYS 40 12.195 15.852 -4.161
304 HD2 LYS 40 1HD LYS 40 12.164 13.551 -4.517
305 HD3 LYS 40 2HD LYS 40 13.815 14.005 -4.947
306 HE2 LYS 40 1HE LYS 40 14.676 13.173 -2.913
307 HE3 LYS 40 2HE LYS 40 13.071 13.056 -2.193
308 HZ1 LYS 40 3HZ LYS 40 14.474 11.169 -3.824
309 HZ2 LYS 40 1HZ LYS 40 12.917 11.480 -4.408
310 HZ3 LYS 40 2HZ LYS 40 13.132 10.937 -2.821
311 H SER 41 H SER 41 16.279 17.878 -2.812
312 HA SER 41 HA SER 41 18.723 16.425 -3.360
313 HB2 SER 41 1HB SER 41 17.727 18.457 -4.673
314 HB3 SER 41 2HB SER 41 18.516 19.418 -3.423
315 HG SER 41 HG SER 41 20.387 18.983 -4.281
316 H GLY 42 H GLY 42 20.769 16.946 -2.409
317 HA2 GLY 42 1HA GLY 42 20.565 17.357 0.441
318 HA3 GLY 42 2HA GLY 42 22.024 16.970 -0.458
319 HA PRO 43 HA PRO 43 23.346 21.104 0.245
320 HB2 PRO 43 1HB PRO 43 25.226 21.282 -1.706
321 HB3 PRO 43 2HB PRO 43 25.463 20.346 -0.225
322 HG2 PRO 43 1HG PRO 43 24.663 19.406 -2.952
323 HG3 PRO 43 2HG PRO 43 25.818 18.686 -1.814
324 HD2 PRO 43 1HD PRO 43 23.294 17.753 -2.114
325 HD3 PRO 43 2HD PRO 43 24.158 17.690 -0.564
326 H SER 44 H SER 44 22.464 22.986 -0.322
327 HA SER 44 HA SER 44 21.208 23.234 -2.946
328 HB2 SER 44 1HB SER 44 20.109 25.231 -1.984
329 HB3 SER 44 2HB SER 44 19.838 23.792 -1.000
330 HG SER 44 HG SER 44 21.417 26.045 -0.475
331 H SER 45 H SER 45 21.409 25.269 -4.141
332 HA SER 45 HA SER 45 24.011 26.585 -3.737
333 HB2 SER 45 1HB SER 45 22.898 25.322 -6.216
334 HB3 SER 45 2HB SER 45 23.964 26.719 -6.362
335 HG SER 45 HG SER 45 25.294 24.982 -6.378
336 H GLY 46 H GLY 46 22.826 28.289 -2.715
337 HA2 GLY 46 1HA GLY 46 22.473 30.622 -3.709
338 HA3 GLY 46 2HA GLY 46 21.123 29.861 -4.537
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -31.160 -23.178 -11.495
2 HA2 GLY 1 1HA GLY 1 -30.328 -23.093 -9.034
3 HA3 GLY 1 2HA GLY 1 -29.154 -22.771 -10.302
4 H SER 2 H SER 2 -30.661 -21.570 -7.537
5 HA SER 2 HA SER 2 -30.701 -18.825 -7.902
6 HB2 SER 2 1HB SER 2 -30.155 -20.520 -5.471
7 HB3 SER 2 2HB SER 2 -30.175 -18.759 -5.381
8 HG SER 2 HG SER 2 -32.328 -19.916 -6.675
9 H SER 3 H SER 3 -29.209 -17.265 -8.064
10 HA SER 3 HA SER 3 -26.635 -17.656 -8.832
11 HB2 SER 3 1HB SER 3 -26.195 -15.345 -8.315
12 HB3 SER 3 2HB SER 3 -27.875 -15.470 -8.837
13 HG SER 3 HG SER 3 -27.194 -14.276 -6.752
14 H GLY 4 H GLY 4 -27.751 -17.189 -5.492
15 HA2 GLY 4 1HA GLY 4 -26.817 -17.920 -3.514
16 HA3 GLY 4 2HA GLY 4 -25.635 -18.812 -4.460
17 H SER 5 H SER 5 -25.660 -16.802 -2.071
18 HA SER 5 HA SER 5 -24.319 -14.484 -2.669
19 HB2 SER 5 1HB SER 5 -25.112 -15.292 -0.388
20 HB3 SER 5 2HB SER 5 -23.604 -16.201 -0.290
21 HG SER 5 HG SER 5 -23.838 -13.841 0.525
22 H SER 6 H SER 6 -22.833 -14.621 -4.309
23 HA SER 6 HA SER 6 -20.506 -16.364 -3.887
24 HB2 SER 6 1HB SER 6 -21.532 -14.983 -6.374
25 HB3 SER 6 2HB SER 6 -20.011 -15.873 -6.301
26 HG SER 6 HG SER 6 -22.587 -16.938 -5.754
27 H GLY 7 H GLY 7 -19.308 -15.142 -2.453
28 HA2 GLY 7 1HA GLY 7 -18.798 -12.350 -2.887
29 HA3 GLY 7 2HA GLY 7 -18.031 -13.376 -1.683
30 H GLN 8 H GLN 8 -17.196 -11.392 -3.968
31 HA GLN 8 HA GLN 8 -15.266 -13.101 -5.344
32 HB2 GLN 8 1HB GLN 8 -14.747 -10.892 -6.552
33 HB3 GLN 8 2HB GLN 8 -16.297 -11.657 -6.870
34 HG2 GLN 8 1HG GLN 8 -16.152 -9.631 -4.706
35 HG3 GLN 8 2HG GLN 8 -16.093 -9.079 -6.379
36 HE21 GLN 8 1HE2 GLN 8 -18.145 -8.667 -4.354
37 HE22 GLN 8 2HE2 GLN 8 -19.608 -9.306 -5.015
38 H LYS 9 H LYS 9 -13.168 -13.169 -4.844
39 HA LYS 9 HA LYS 9 -12.223 -11.500 -2.644
40 HB2 LYS 9 1HB LYS 9 -11.840 -13.874 -2.405
41 HB3 LYS 9 2HB LYS 9 -11.048 -13.946 -3.974
42 HG2 LYS 9 1HG LYS 9 -9.111 -13.006 -3.197
43 HG3 LYS 9 2HG LYS 9 -9.925 -12.143 -1.890
44 HD2 LYS 9 1HD LYS 9 -9.837 -15.133 -1.882
45 HD3 LYS 9 2HD LYS 9 -8.432 -14.208 -1.348
46 HE2 LYS 9 1HE LYS 9 -9.661 -13.177 0.394
47 HE3 LYS 9 2HE LYS 9 -11.198 -13.741 -0.260
48 HZ1 LYS 9 3HZ LYS 9 -9.118 -15.632 0.656
49 HZ2 LYS 9 1HZ LYS 9 -10.769 -15.916 0.420
50 HZ3 LYS 9 2HZ LYS 9 -10.251 -14.976 1.727
51 H GLU 10 H GLU 10 -12.046 -9.548 -3.883
52 HA GLU 10 HA GLU 10 -9.693 -9.519 -5.658
53 HB2 GLU 10 1HB GLU 10 -12.329 -8.131 -5.859
54 HB3 GLU 10 2HB GLU 10 -10.901 -7.312 -6.476
55 HG2 GLU 10 1HG GLU 10 -10.496 -8.993 -8.069
56 HG3 GLU 10 2HG GLU 10 -11.625 -10.104 -7.297
57 H LYS 11 H LYS 11 -8.472 -9.221 -3.654
58 HA LYS 11 HA LYS 11 -8.746 -6.559 -2.454
59 HB2 LYS 11 1HB LYS 11 -7.327 -9.068 -1.580
60 HB3 LYS 11 2HB LYS 11 -7.019 -7.514 -0.816
61 HG2 LYS 11 1HG LYS 11 -9.805 -8.580 -1.049
62 HG3 LYS 11 2HG LYS 11 -8.733 -9.107 0.250
63 HD2 LYS 11 1HD LYS 11 -8.389 -6.692 0.824
64 HD3 LYS 11 2HD LYS 11 -9.649 -6.296 -0.347
65 HE2 LYS 11 1HE LYS 11 -10.885 -6.397 1.580
66 HE3 LYS 11 2HE LYS 11 -11.028 -8.063 1.020
67 HZ1 LYS 11 3HZ LYS 11 -9.953 -8.805 2.803
68 HZ2 LYS 11 1HZ LYS 11 -10.149 -7.263 3.472
69 HZ3 LYS 11 2HZ LYS 11 -8.719 -7.656 2.658
70 H CYS 12 H CYS 12 -7.749 -6.657 -5.065
71 HA CYS 12 HA CYS 12 -4.854 -6.369 -4.837
72 HB2 CYS 12 1HB CYS 12 -4.856 -6.212 -7.267
73 HB3 CYS 12 2HB CYS 12 -5.788 -7.615 -6.756
74 HG CYS 12 HG CYS 12 -7.914 -7.006 -8.047
75 H PHE 13 H PHE 13 -3.753 -4.467 -5.166
76 HA PHE 13 HA PHE 13 -5.221 -2.040 -5.794
77 HB2 PHE 13 1HB PHE 13 -3.644 -2.238 -3.223
78 HB3 PHE 13 2HB PHE 13 -4.568 -0.854 -3.797
79 HD1 PHE 13 HD1 PHE 13 -7.026 -0.918 -3.791
80 HD2 PHE 13 HD2 PHE 13 -4.696 -4.065 -2.122
81 HE1 PHE 13 HE1 PHE 13 -9.006 -1.739 -2.584
82 HE2 PHE 13 HE2 PHE 13 -6.673 -4.892 -0.913
83 HZ PHE 13 HZ PHE 13 -8.832 -3.729 -1.144
84 H LYS 14 H LYS 14 -4.035 -0.826 -7.106
85 HA LYS 14 HA LYS 14 -1.138 -1.307 -7.220
86 HB2 LYS 14 1HB LYS 14 -2.083 -1.738 -9.337
87 HB3 LYS 14 2HB LYS 14 -3.131 -0.328 -9.251
88 HG2 LYS 14 1HG LYS 14 -1.332 1.152 -9.646
89 HG3 LYS 14 2HG LYS 14 -0.137 -0.121 -9.387
90 HD2 LYS 14 1HD LYS 14 -2.168 -0.402 -11.564
91 HD3 LYS 14 2HD LYS 14 -0.747 0.616 -11.812
92 HE2 LYS 14 1HE LYS 14 0.716 -1.252 -11.350
93 HE3 LYS 14 2HE LYS 14 -0.665 -2.276 -10.959
94 HZ1 LYS 14 3HZ LYS 14 0.319 -2.530 -13.254
95 HZ2 LYS 14 1HZ LYS 14 -0.343 -1.016 -13.617
96 HZ3 LYS 14 2HZ LYS 14 -1.355 -2.299 -13.184
97 H CYS 15 H CYS 15 0.323 0.350 -7.068
98 HA CYS 15 HA CYS 15 -0.506 2.679 -5.646
99 HB2 CYS 15 1HB CYS 15 1.788 1.349 -5.658
100 HB3 CYS 15 2HB CYS 15 2.192 2.514 -6.914
101 H ASN 16 H ASN 16 0.546 4.866 -6.427
102 HA ASN 16 HA ASN 16 -0.475 5.322 -9.146
103 HB2 ASN 16 1HB ASN 16 -1.530 6.560 -7.217
104 HB3 ASN 16 2HB ASN 16 0.005 7.395 -7.000
105 HD21 ASN 16 1HD2 ASN 16 -2.865 8.046 -7.980
106 HD22 ASN 16 2HD2 ASN 16 -2.576 9.039 -9.365
107 H LYS 17 H LYS 17 2.117 6.403 -6.955
108 HA LYS 17 HA LYS 17 3.629 7.708 -8.954
109 HB2 LYS 17 1HB LYS 17 4.719 6.516 -6.404
110 HB3 LYS 17 2HB LYS 17 5.370 7.869 -7.320
111 HG2 LYS 17 1HG LYS 17 2.609 8.107 -6.257
112 HG3 LYS 17 2HG LYS 17 3.957 8.223 -5.123
113 HD2 LYS 17 1HD LYS 17 3.776 10.420 -5.716
114 HD3 LYS 17 2HD LYS 17 4.889 9.875 -6.974
115 HE2 LYS 17 1HE LYS 17 3.360 10.951 -8.276
116 HE3 LYS 17 2HE LYS 17 2.621 9.351 -8.235
117 HZ1 LYS 17 3HZ LYS 17 1.839 11.775 -6.740
118 HZ2 LYS 17 1HZ LYS 17 1.362 10.237 -6.221
119 HZ3 LYS 17 2HZ LYS 17 0.889 10.799 -7.744
120 H CYS 18 H CYS 18 4.624 4.786 -7.174
121 HA CYS 18 HA CYS 18 6.423 3.985 -9.230
122 HB2 CYS 18 1HB CYS 18 6.698 1.933 -7.877
123 HB3 CYS 18 2HB CYS 18 6.850 3.395 -6.908
124 H GLU 19 H GLU 19 3.111 3.209 -8.428
125 HA GLU 19 HA GLU 19 1.485 2.152 -9.627
126 HB2 GLU 19 1HB GLU 19 3.468 1.685 -11.843
127 HB3 GLU 19 2HB GLU 19 1.720 1.830 -11.956
128 HG2 GLU 19 1HG GLU 19 1.854 4.190 -11.424
129 HG3 GLU 19 2HG GLU 19 3.601 4.064 -11.226
130 H LYS 20 H LYS 20 2.932 0.728 -7.755
131 HA LYS 20 HA LYS 20 3.393 -1.898 -8.984
132 HB2 LYS 20 1HB LYS 20 4.318 -0.588 -6.464
133 HB3 LYS 20 2HB LYS 20 4.195 -2.342 -6.503
134 HG2 LYS 20 1HG LYS 20 5.581 -2.113 -8.697
135 HG3 LYS 20 2HG LYS 20 6.011 -0.536 -8.029
136 HD2 LYS 20 1HD LYS 20 7.701 -1.931 -7.242
137 HD3 LYS 20 2HD LYS 20 6.580 -1.847 -5.882
138 HE2 LYS 20 1HE LYS 20 5.601 -3.980 -6.546
139 HE3 LYS 20 2HE LYS 20 6.687 -4.058 -7.932
140 HZ1 LYS 20 3HZ LYS 20 8.493 -3.819 -6.082
141 HZ2 LYS 20 1HZ LYS 20 7.812 -5.328 -6.427
142 HZ3 LYS 20 2HZ LYS 20 7.277 -4.446 -5.087
143 H THR 21 H THR 21 2.358 -3.753 -8.218
144 HA THR 21 HA THR 21 -0.243 -3.240 -7.001
145 HB THR 21 HB THR 21 -0.642 -5.689 -7.580
146 HG1 THR 21 HG1 THR 21 1.546 -5.415 -9.340
147 HG21 THR 21 3HG2 THR 21 -1.212 -5.195 -9.828
148 HG22 THR 21 1HG2 THR 21 0.051 -3.972 -9.956
149 HG23 THR 21 2HG2 THR 21 -1.363 -3.677 -8.943
150 H PHE 22 H PHE 22 -1.016 -4.364 -5.190
151 HA PHE 22 HA PHE 22 1.026 -5.746 -3.584
152 HB2 PHE 22 1HB PHE 22 -0.964 -3.677 -2.638
153 HB3 PHE 22 2HB PHE 22 -0.008 -4.687 -1.560
154 HD1 PHE 22 HD2 PHE 22 0.155 -2.014 -4.089
155 HD2 PHE 22 HD1 PHE 22 2.264 -4.200 -1.107
156 HE1 PHE 22 HE2 PHE 22 1.990 -0.378 -4.192
157 HE2 PHE 22 HE1 PHE 22 4.102 -2.567 -1.205
158 HZ PHE 22 HZ PHE 22 3.967 -0.653 -2.749
159 H SER 23 H SER 23 -0.045 -6.943 -1.694
160 HA SER 23 HA SER 23 -2.192 -8.556 -2.820
161 HB2 SER 23 1HB SER 23 -1.558 -10.238 -1.335
162 HB3 SER 23 2HB SER 23 -0.024 -9.429 -1.653
163 HG SER 23 HG SER 23 -0.743 -8.117 0.312
164 H CYS 24 H CYS 24 -1.805 -5.997 -0.629
165 HA CYS 24 HA CYS 24 -4.606 -6.067 0.051
166 HB2 CYS 24 1HB CYS 24 -2.485 -6.725 2.035
167 HB3 CYS 24 2HB CYS 24 -3.808 -5.697 2.571
168 HG CYS 24 HG CYS 24 -5.185 -8.167 0.994
169 H SER 25 H SER 25 -5.231 -4.117 1.346
170 HA SER 25 HA SER 25 -3.972 -1.806 0.206
171 HB2 SER 25 1HB SER 25 -6.460 -2.071 0.607
172 HB3 SER 25 2HB SER 25 -6.128 -1.838 2.324
173 HG SER 25 HG SER 25 -4.928 0.141 1.322
174 H LYS 26 H LYS 26 -4.304 -3.145 3.471
175 HA LYS 26 HA LYS 26 -3.187 -1.176 5.001
176 HB2 LYS 26 1HB LYS 26 -2.435 -2.944 6.534
177 HB3 LYS 26 2HB LYS 26 -4.065 -3.244 5.948
178 HG2 LYS 26 1HG LYS 26 -3.267 -4.910 4.414
179 HG3 LYS 26 2HG LYS 26 -1.590 -4.537 4.822
180 HD2 LYS 26 1HD LYS 26 -3.513 -5.385 6.955
181 HD3 LYS 26 2HD LYS 26 -2.745 -6.590 5.917
182 HE2 LYS 26 1HE LYS 26 -0.549 -5.363 6.555
183 HE3 LYS 26 2HE LYS 26 -1.499 -4.717 7.892
184 HZ1 LYS 26 3HZ LYS 26 -0.219 -7.146 7.806
185 HZ2 LYS 26 1HZ LYS 26 -1.859 -7.525 7.636
186 HZ3 LYS 26 2HZ LYS 26 -1.332 -6.632 8.972
187 H TYR 27 H TYR 27 -1.500 -3.534 2.987
188 HA TYR 27 HA TYR 27 1.112 -2.680 3.808
189 HB2 TYR 27 1HB TYR 27 0.080 -4.506 1.653
190 HB3 TYR 27 2HB TYR 27 1.781 -4.056 1.722
191 HD1 TYR 27 HD1 TYR 27 2.419 -4.099 4.537
192 HD2 TYR 27 HD2 TYR 27 -0.107 -6.711 2.323
193 HE1 TYR 27 HE1 TYR 27 2.825 -5.879 6.185
194 HE2 TYR 27 HE2 TYR 27 0.292 -8.498 3.966
195 HH TYR 27 HH TYR 27 1.033 -8.399 6.650
196 H LEU 28 H LEU 28 -1.164 -1.750 1.368
197 HA LEU 28 HA LEU 28 0.748 -0.353 -0.269
198 HB2 LEU 28 1HB LEU 28 -1.170 -1.227 -1.363
199 HB3 LEU 28 2HB LEU 28 -2.258 -0.443 -0.220
200 HG LEU 28 HG LEU 28 -1.584 1.752 -1.152
201 HD11 LEU 28 1HD1 LEU 28 0.257 1.899 -2.376
202 HD12 LEU 28 2HD1 LEU 28 -0.553 0.982 -3.646
203 HD13 LEU 28 3HD1 LEU 28 0.409 0.142 -2.430
204 HD21 LEU 28 3HD2 LEU 28 -3.000 -0.362 -2.638
205 HD22 LEU 28 1HD2 LEU 28 -2.550 1.067 -3.569
206 HD23 LEU 28 2HD2 LEU 28 -3.551 1.234 -2.126
207 H THR 29 H THR 29 -2.101 0.815 1.537
208 HA THR 29 HA THR 29 -1.813 3.462 1.504
209 HB THR 29 HB THR 29 -2.308 1.895 4.043
210 HG1 THR 29 HG1 THR 29 -4.337 3.067 2.495
211 HG21 THR 29 3HG2 THR 29 -3.592 3.940 4.703
212 HG22 THR 29 1HG2 THR 29 -2.885 4.766 3.314
213 HG23 THR 29 2HG2 THR 29 -1.847 4.178 4.613
214 H GLN 30 H GLN 30 -0.059 1.440 3.864
215 HA GLN 30 HA GLN 30 1.490 3.516 4.943
216 HB2 GLN 30 1HB GLN 30 1.269 1.422 6.116
217 HB3 GLN 30 2HB GLN 30 2.011 0.545 4.785
218 HG2 GLN 30 1HG GLN 30 3.780 0.680 6.204
219 HG3 GLN 30 2HG GLN 30 4.024 2.158 5.275
220 HE21 GLN 30 1HE2 GLN 30 3.535 0.815 8.341
221 HE22 GLN 30 2HE2 GLN 30 3.390 2.288 9.232
222 H HIS 31 H HIS 31 2.210 1.191 2.358
223 HA HIS 31 HA HIS 31 4.835 1.932 1.836
224 HB2 HIS 31 1HB HIS 31 4.167 0.013 0.713
225 HB3 HIS 31 2HB HIS 31 2.653 0.732 0.172
226 HD1 HIS 31 HD1 HIS 31 6.128 0.132 -0.854
227 HD2 HIS 31 HD2 HIS 31 2.954 2.521 -2.070
228 HE1 HIS 31 HE1 HIS 31 6.732 0.930 -3.161
229 H GLU 32 H GLU 32 1.820 3.287 0.559
230 HA GLU 32 HA GLU 32 2.743 5.006 -1.353
231 HB2 GLU 32 1HB GLU 32 0.549 5.410 0.677
232 HB3 GLU 32 2HB GLU 32 0.839 6.528 -0.648
233 HG2 GLU 32 1HG GLU 32 0.382 4.806 -2.265
234 HG3 GLU 32 2HG GLU 32 0.229 3.601 -0.988
235 H ARG 33 H ARG 33 3.300 5.157 2.039
236 HA ARG 33 HA ARG 33 3.840 7.900 2.339
237 HB2 ARG 33 1HB ARG 33 4.878 5.486 3.825
238 HB3 ARG 33 2HB ARG 33 5.231 7.140 4.307
239 HG2 ARG 33 1HG ARG 33 2.664 7.435 4.318
240 HG3 ARG 33 2HG ARG 33 2.631 5.672 4.369
241 HD2 ARG 33 1HD ARG 33 3.837 5.625 6.415
242 HD3 ARG 33 2HD ARG 33 4.222 7.342 6.302
243 HE ARG 33 HE ARG 33 1.865 6.198 7.396
244 HH11 ARG 33 1HH1 ARG 33 3.029 8.932 5.582
245 HH12 ARG 33 2HH1 ARG 33 1.764 9.989 6.115
246 HH21 ARG 33 1HH2 ARG 33 0.195 7.580 8.104
247 HH22 ARG 33 2HH2 ARG 33 0.153 9.219 7.550
248 H ILE 34 H ILE 34 5.862 5.194 1.326
249 HA ILE 34 HA ILE 34 8.378 6.235 1.415
250 HB ILE 34 HB ILE 34 9.022 4.764 -0.311
251 HG12 ILE 34 1HG1 ILE 34 6.143 4.671 -1.235
252 HG13 ILE 34 2HG1 ILE 34 7.404 5.634 -1.998
253 HG21 ILE 34 1HG2 ILE 34 6.851 3.002 0.270
254 HG22 ILE 34 2HG2 ILE 34 8.496 2.984 0.904
255 HG23 ILE 34 3HG2 ILE 34 7.249 3.932 1.715
256 HD11 ILE 34 3HD1 ILE 34 6.758 3.310 -2.961
257 HD12 ILE 34 1HD1 ILE 34 8.451 3.797 -2.888
258 HD13 ILE 34 2HD1 ILE 34 7.796 2.700 -1.672
259 H HIS 35 H HIS 35 5.781 7.184 -0.695
260 HA HIS 35 HA HIS 35 7.522 8.782 -2.386
261 HB2 HIS 35 1HB HIS 35 4.503 8.611 -2.396
262 HB3 HIS 35 2HB HIS 35 5.523 9.300 -3.656
263 HD1 HIS 35 HD1 HIS 35 7.410 7.313 -4.498
264 HD2 HIS 35 HD2 HIS 35 3.668 6.156 -3.113
265 HE1 HIS 35 HE1 HIS 35 7.036 5.003 -5.420
266 H THR 36 H THR 36 4.942 9.281 -0.008
267 HA THR 36 HA THR 36 5.463 12.160 -0.030
268 HB THR 36 HB THR 36 3.111 11.426 -0.118
269 HG1 THR 36 HG1 THR 36 4.141 12.972 1.973
270 HG21 THR 36 3HG2 THR 36 2.359 10.661 2.352
271 HG22 THR 36 1HG2 THR 36 3.949 9.904 2.272
272 HG23 THR 36 2HG2 THR 36 2.729 9.525 1.056
273 H ARG 37 H ARG 37 7.620 10.951 0.955
274 HA ARG 37 HA ARG 37 7.369 11.084 3.883
275 HB2 ARG 37 1HB ARG 37 8.373 9.035 2.542
276 HB3 ARG 37 2HB ARG 37 9.822 10.032 2.547
277 HG2 ARG 37 1HG ARG 37 8.393 9.588 5.116
278 HG3 ARG 37 2HG ARG 37 9.365 8.278 4.442
279 HD2 ARG 37 1HD ARG 37 11.333 9.599 4.483
280 HD3 ARG 37 2HD ARG 37 10.419 11.071 4.812
281 HE ARG 37 HE ARG 37 10.005 9.193 6.878
282 HH11 ARG 37 1HH1 ARG 37 12.418 11.357 5.607
283 HH12 ARG 37 2HH1 ARG 37 13.200 11.591 7.135
284 HH21 ARG 37 1HH2 ARG 37 11.026 9.494 8.896
285 HH22 ARG 37 2HH2 ARG 37 12.409 10.530 9.005
286 H GLY 38 H GLY 38 7.564 13.271 4.236
287 HA2 GLY 38 1HA GLY 38 8.602 15.307 4.460
288 HA3 GLY 38 2HA GLY 38 10.094 14.379 4.496
289 H VAL 39 H VAL 39 11.532 14.903 3.002
290 HA VAL 39 HA VAL 39 10.589 15.785 0.364
291 HB VAL 39 HB VAL 39 12.494 17.467 0.367
292 HG11 VAL 39 1HG1 VAL 39 11.093 19.162 1.074
293 HG12 VAL 39 2HG1 VAL 39 9.950 17.854 0.762
294 HG13 VAL 39 3HG1 VAL 39 10.450 18.215 2.415
295 HG21 VAL 39 3HG2 VAL 39 13.300 16.320 2.634
296 HG22 VAL 39 1HG2 VAL 39 13.630 18.012 2.259
297 HG23 VAL 39 2HG2 VAL 39 12.288 17.590 3.322
298 H LYS 40 H LYS 40 12.057 15.441 -1.352
299 HA LYS 40 HA LYS 40 13.575 13.077 -1.162
300 HB2 LYS 40 1HB LYS 40 14.365 13.681 -3.457
301 HB3 LYS 40 2HB LYS 40 12.616 13.696 -3.272
302 HG2 LYS 40 1HG LYS 40 13.040 16.252 -2.771
303 HG3 LYS 40 2HG LYS 40 14.500 15.946 -3.715
304 HD2 LYS 40 1HD LYS 40 11.808 15.079 -4.711
305 HD3 LYS 40 2HD LYS 40 12.372 16.735 -4.944
306 HE2 LYS 40 1HE LYS 40 13.138 15.792 -6.877
307 HE3 LYS 40 2HE LYS 40 14.529 15.500 -5.834
308 HZ1 LYS 40 3HZ LYS 40 12.778 13.622 -7.087
309 HZ2 LYS 40 1HZ LYS 40 12.919 13.338 -5.425
310 HZ3 LYS 40 2HZ LYS 40 14.302 13.377 -6.397
311 H SER 41 H SER 41 14.498 16.489 -1.177
312 HA SER 41 HA SER 41 17.251 16.234 -1.381
313 HB2 SER 41 1HB SER 41 15.668 18.350 -1.199
314 HB3 SER 41 2HB SER 41 16.133 18.272 0.500
315 HG SER 41 HG SER 41 18.350 18.245 -0.282
316 H GLY 42 H GLY 42 15.335 16.465 1.624
317 HA2 GLY 42 1HA GLY 42 15.850 14.769 3.357
318 HA3 GLY 42 2HA GLY 42 17.545 15.057 2.992
319 HA PRO 43 HA PRO 43 17.457 17.799 6.456
320 HB2 PRO 43 1HB PRO 43 19.922 18.878 6.097
321 HB3 PRO 43 2HB PRO 43 19.670 17.251 6.741
322 HG2 PRO 43 1HG PRO 43 20.374 18.099 3.958
323 HG3 PRO 43 2HG PRO 43 21.028 16.760 4.918
324 HD2 PRO 43 1HD PRO 43 19.153 16.396 2.999
325 HD3 PRO 43 2HD PRO 43 19.234 15.387 4.458
326 H SER 44 H SER 44 15.808 19.204 5.673
327 HA SER 44 HA SER 44 16.380 21.271 3.780
328 HB2 SER 44 1HB SER 44 14.096 20.317 4.178
329 HB3 SER 44 2HB SER 44 14.080 21.131 5.742
330 HG SER 44 HG SER 44 13.213 22.658 4.544
331 H SER 45 H SER 45 15.751 21.300 7.289
332 HA SER 45 HA SER 45 17.231 23.846 7.431
333 HB2 SER 45 1HB SER 45 15.853 24.448 9.358
334 HB3 SER 45 2HB SER 45 14.827 24.091 7.969
335 HG SER 45 HG SER 45 14.951 22.862 10.388
336 H GLY 46 H GLY 46 16.472 20.835 9.150
337 HA2 GLY 46 1HA GLY 46 18.628 21.286 11.048
338 HA3 GLY 46 2HA GLY 46 17.521 19.921 11.029
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