Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505666 | 2ytj RC | 10309 | 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 -8.078 -12.307 0.388
2 HA2 GLY 1 1HA GLY 1 -6.248 -14.189 -0.762
3 HA3 GLY 1 2HA GLY 1 -6.750 -14.658 0.855
4 H SER 2 H SER 2 -7.312 -15.412 -2.172
5 HA SER 2 HA SER 2 -10.155 -15.979 -1.682
6 HB2 SER 2 1HB SER 2 -10.139 -14.165 -3.272
7 HB3 SER 2 2HB SER 2 -8.926 -14.980 -4.260
8 HG SER 2 HG SER 2 -10.521 -16.662 -4.565
9 H SER 3 H SER 3 -10.947 -17.907 -2.596
10 HA SER 3 HA SER 3 -9.112 -20.050 -2.631
11 HB2 SER 3 1HB SER 3 -11.957 -20.011 -3.668
12 HB3 SER 3 2HB SER 3 -11.024 -21.444 -3.234
13 HG SER 3 HG SER 3 -11.375 -19.413 -1.333
14 H GLY 4 H GLY 4 -7.839 -20.766 -4.203
15 HA2 GLY 4 1HA GLY 4 -7.620 -21.588 -6.474
16 HA3 GLY 4 2HA GLY 4 -8.634 -20.251 -6.997
17 H SER 5 H SER 5 -7.741 -18.215 -7.283
18 HA SER 5 HA SER 5 -4.966 -17.732 -6.647
19 HB2 SER 5 1HB SER 5 -5.095 -19.054 -8.879
20 HB3 SER 5 2HB SER 5 -5.693 -17.541 -9.560
21 HG SER 5 HG SER 5 -3.447 -17.652 -9.764
22 H SER 6 H SER 6 -4.435 -15.567 -6.652
23 HA SER 6 HA SER 6 -6.498 -13.716 -6.299
24 HB2 SER 6 1HB SER 6 -3.537 -13.408 -6.758
25 HB3 SER 6 2HB SER 6 -4.587 -12.004 -6.564
26 HG SER 6 HG SER 6 -3.657 -13.756 -4.692
27 H GLY 7 H GLY 7 -6.699 -11.627 -7.548
28 HA2 GLY 7 1HA GLY 7 -6.265 -10.635 -9.807
29 HA3 GLY 7 2HA GLY 7 -6.658 -12.226 -10.442
30 H THR 8 H THR 8 -8.889 -12.984 -9.241
31 HA THR 8 HA THR 8 -10.860 -11.247 -10.388
32 HB THR 8 HB THR 8 -11.341 -13.697 -8.685
33 HG1 THR 8 HG1 THR 8 -10.680 -13.394 -11.419
34 HG21 THR 8 3HG2 THR 8 -13.514 -13.590 -9.303
35 HG22 THR 8 1HG2 THR 8 -13.136 -12.977 -10.912
36 HG23 THR 8 2HG2 THR 8 -13.156 -11.879 -9.532
37 H GLY 9 H GLY 9 -10.848 -9.330 -9.211
38 HA2 GLY 9 1HA GLY 9 -12.173 -8.129 -7.626
39 HA3 GLY 9 2HA GLY 9 -12.134 -9.538 -6.576
40 H GLU 10 H GLU 10 -10.571 -6.609 -7.489
41 HA GLU 10 HA GLU 10 -8.801 -6.861 -5.180
42 HB2 GLU 10 1HB GLU 10 -7.604 -7.565 -7.334
43 HB3 GLU 10 2HB GLU 10 -7.714 -5.876 -7.811
44 HG2 GLU 10 1HG GLU 10 -6.307 -5.175 -6.080
45 HG3 GLU 10 2HG GLU 10 -6.481 -6.696 -5.206
46 H LYS 11 H LYS 11 -8.007 -4.838 -4.390
47 HA LYS 11 HA LYS 11 -9.740 -2.829 -4.039
48 HB2 LYS 11 1HB LYS 11 -6.745 -2.645 -4.332
49 HB3 LYS 11 2HB LYS 11 -7.727 -1.275 -3.830
50 HG2 LYS 11 1HG LYS 11 -7.553 -3.922 -2.404
51 HG3 LYS 11 2HG LYS 11 -6.734 -2.434 -1.925
52 HD2 LYS 11 1HD LYS 11 -9.103 -1.407 -1.904
53 HD3 LYS 11 2HD LYS 11 -9.662 -3.081 -1.872
54 HE2 LYS 11 1HE LYS 11 -9.521 -2.224 0.383
55 HE3 LYS 11 2HE LYS 11 -8.296 -3.469 0.143
56 HZ1 LYS 11 3HZ LYS 11 -7.071 -1.107 -0.537
57 HZ2 LYS 11 1HZ LYS 11 -6.836 -1.994 0.884
58 HZ3 LYS 11 2HZ LYS 11 -7.964 -0.734 0.850
59 HA PRO 12 HA PRO 12 -10.472 -0.698 -7.812
60 HB2 PRO 12 1HB PRO 12 -11.069 1.774 -6.862
61 HB3 PRO 12 2HB PRO 12 -12.165 0.396 -6.708
62 HG2 PRO 12 1HG PRO 12 -10.280 1.551 -4.690
63 HG3 PRO 12 2HG PRO 12 -11.949 0.993 -4.471
64 HD2 PRO 12 1HD PRO 12 -9.807 -0.509 -3.772
65 HD3 PRO 12 2HD PRO 12 -11.326 -1.223 -4.353
66 H TYR 13 H TYR 13 -7.904 0.118 -5.727
67 HA TYR 13 HA TYR 13 -6.514 1.447 -7.915
68 HB2 TYR 13 1HB TYR 13 -6.546 2.714 -5.177
69 HB3 TYR 13 2HB TYR 13 -5.885 3.376 -6.667
70 HD1 TYR 13 HD2 TYR 13 -7.708 3.579 -8.625
71 HD2 TYR 13 HD1 TYR 13 -8.569 3.550 -4.459
72 HE1 TYR 13 HE2 TYR 13 -9.837 4.731 -9.063
73 HE2 TYR 13 HE1 TYR 13 -10.700 4.701 -4.884
74 HH TYR 13 HH TYR 13 -11.448 6.379 -7.226
75 H ILE 14 H ILE 14 -4.424 0.879 -8.018
76 HA ILE 14 HA ILE 14 -3.092 -0.164 -5.632
77 HB ILE 14 HB ILE 14 -3.344 -1.673 -8.232
78 HG12 ILE 14 1HG1 ILE 14 -3.914 -3.470 -6.348
79 HG13 ILE 14 2HG1 ILE 14 -4.357 -2.022 -5.450
80 HG21 ILE 14 1HG2 ILE 14 -1.326 -2.529 -7.892
81 HG22 ILE 14 2HG2 ILE 14 -1.138 -1.574 -6.422
82 HG23 ILE 14 3HG2 ILE 14 -1.882 -3.172 -6.347
83 HD11 ILE 14 3HD1 ILE 14 -6.356 -2.435 -6.399
84 HD12 ILE 14 1HD1 ILE 14 -5.648 -1.522 -7.731
85 HD13 ILE 14 2HD1 ILE 14 -5.653 -3.285 -7.775
86 H CYS 15 H CYS 15 -1.191 0.798 -5.427
87 HA CYS 15 HA CYS 15 -0.078 2.513 -7.337
88 HB2 CYS 15 1HB CYS 15 0.543 2.899 -5.098
89 HB3 CYS 15 2HB CYS 15 1.025 1.223 -4.852
90 H ALA 16 H ALA 16 2.030 2.329 -8.395
91 HA ALA 16 HA ALA 16 2.507 -0.416 -9.354
92 HB1 ALA 16 3HB ALA 16 3.123 0.450 -11.463
93 HB2 ALA 16 1HB ALA 16 1.646 1.296 -11.003
94 HB3 ALA 16 2HB ALA 16 3.208 2.100 -10.845
95 H GLU 17 H GLU 17 3.973 2.502 -8.107
96 HA GLU 17 HA GLU 17 6.650 2.062 -8.619
97 HB2 GLU 17 1HB GLU 17 5.161 3.429 -6.425
98 HB3 GLU 17 2HB GLU 17 6.889 3.174 -6.225
99 HG2 GLU 17 1HG GLU 17 5.785 4.454 -8.695
100 HG3 GLU 17 2HG GLU 17 6.087 5.387 -7.231
101 H CYS 18 H CYS 18 4.645 0.726 -6.031
102 HA CYS 18 HA CYS 18 6.799 -1.204 -5.472
103 HB2 CYS 18 1HB CYS 18 6.076 -1.219 -3.108
104 HB3 CYS 18 2HB CYS 18 6.660 0.363 -3.614
105 H GLY 19 H GLY 19 3.308 -0.580 -5.329
106 HA2 GLY 19 1HA GLY 19 1.860 -2.227 -6.431
107 HA3 GLY 19 2HA GLY 19 2.889 -3.475 -5.744
108 H LYS 20 H LYS 20 1.395 -0.586 -4.303
109 HA LYS 20 HA LYS 20 0.362 -2.281 -2.152
110 HB2 LYS 20 1HB LYS 20 0.964 0.636 -2.420
111 HB3 LYS 20 2HB LYS 20 -0.213 0.116 -1.222
112 HG2 LYS 20 1HG LYS 20 1.426 -1.258 -0.128
113 HG3 LYS 20 2HG LYS 20 2.608 -0.923 -1.396
114 HD2 LYS 20 1HD LYS 20 2.835 1.325 -0.733
115 HD3 LYS 20 2HD LYS 20 1.373 1.266 0.254
116 HE2 LYS 20 1HE LYS 20 3.110 1.175 1.811
117 HE3 LYS 20 2HE LYS 20 2.611 -0.506 1.632
118 HZ1 LYS 20 3HZ LYS 20 4.532 -0.176 -0.272
119 HZ2 LYS 20 1HZ LYS 20 4.742 -0.924 1.231
120 HZ3 LYS 20 2HZ LYS 20 5.128 0.712 1.038
121 H ALA 21 H ALA 21 -1.810 -1.430 -1.225
122 HA ALA 21 HA ALA 21 -3.662 -0.897 -3.454
123 HB1 ALA 21 3HB ALA 21 -4.806 -2.447 -1.263
124 HB2 ALA 21 1HB ALA 21 -4.908 -2.697 -3.007
125 HB3 ALA 21 2HB ALA 21 -3.504 -3.280 -2.112
126 H PHE 22 H PHE 22 -5.565 0.266 -2.938
127 HA PHE 22 HA PHE 22 -5.810 1.400 -0.273
128 HB2 PHE 22 1HB PHE 22 -5.279 3.079 -2.728
129 HB3 PHE 22 2HB PHE 22 -5.917 3.732 -1.223
130 HD1 PHE 22 HD1 PHE 22 -4.522 3.924 0.742
131 HD2 PHE 22 HD2 PHE 22 -2.984 2.347 -2.900
132 HE1 PHE 22 HE1 PHE 22 -2.231 4.194 1.596
133 HE2 PHE 22 HE2 PHE 22 -0.691 2.614 -2.051
134 HZ PHE 22 HZ PHE 22 -0.311 3.537 0.200
135 H THR 23 H THR 23 -7.768 2.911 -0.197
136 HA THR 23 HA THR 23 -9.893 1.759 -1.883
137 HB THR 23 HB THR 23 -11.445 2.416 -0.010
138 HG1 THR 23 HG1 THR 23 -9.159 2.523 1.643
139 HG21 THR 23 3HG2 THR 23 -9.735 0.590 1.425
140 HG22 THR 23 1HG2 THR 23 -9.794 0.173 -0.287
141 HG23 THR 23 2HG2 THR 23 -11.287 0.289 0.644
142 H ILE 24 H ILE 24 -8.825 4.726 -0.256
143 HA ILE 24 HA ILE 24 -10.714 6.306 -1.818
144 HB ILE 24 HB ILE 24 -8.704 7.418 0.121
145 HG12 ILE 24 1HG1 ILE 24 -11.493 6.556 0.878
146 HG13 ILE 24 2HG1 ILE 24 -10.097 5.508 1.100
147 HG21 ILE 24 1HG2 ILE 24 -9.912 8.984 -1.329
148 HG22 ILE 24 2HG2 ILE 24 -11.443 8.352 -0.725
149 HG23 ILE 24 3HG2 ILE 24 -10.345 9.195 0.367
150 HD11 ILE 24 3HD1 ILE 24 -10.011 8.260 2.218
151 HD12 ILE 24 1HD1 ILE 24 -10.971 7.029 3.038
152 HD13 ILE 24 2HD1 ILE 24 -9.242 6.781 2.792
153 H ARG 25 H ARG 25 -10.171 7.137 -3.714
154 HA ARG 25 HA ARG 25 -7.872 6.859 -5.096
155 HB2 ARG 25 1HB ARG 25 -9.897 7.807 -6.077
156 HB3 ARG 25 2HB ARG 25 -9.676 9.284 -5.149
157 HG2 ARG 25 1HG ARG 25 -8.912 9.815 -7.284
158 HG3 ARG 25 2HG ARG 25 -7.441 9.505 -6.359
159 HD2 ARG 25 1HD ARG 25 -7.095 8.359 -8.361
160 HD3 ARG 25 2HD ARG 25 -7.628 7.105 -7.242
161 HE ARG 25 HE ARG 25 -9.416 6.757 -8.605
162 HH11 ARG 25 1HH1 ARG 25 -8.240 9.989 -9.143
163 HH12 ARG 25 2HH1 ARG 25 -9.357 10.322 -10.425
164 HH21 ARG 25 1HH2 ARG 25 -10.891 7.183 -10.292
165 HH22 ARG 25 2HH2 ARG 25 -10.865 8.725 -11.077
166 H SER 26 H SER 26 -8.571 9.439 -2.783
167 HA SER 26 HA SER 26 -6.176 10.891 -3.225
168 HB2 SER 26 1HB SER 26 -8.381 11.619 -2.034
169 HB3 SER 26 2HB SER 26 -7.631 10.925 -0.597
170 HG SER 26 HG SER 26 -7.215 13.309 -1.646
171 H ASN 27 H ASN 27 -7.137 8.634 -0.642
172 HA ASN 27 HA ASN 27 -4.923 8.599 0.925
173 HB2 ASN 27 1HB ASN 27 -6.870 6.496 0.118
174 HB3 ASN 27 2HB ASN 27 -5.418 5.974 0.968
175 HD21 ASN 27 1HD2 ASN 27 -5.736 5.751 3.048
176 HD22 ASN 27 2HD2 ASN 27 -6.761 6.727 4.039
177 H LEU 28 H LEU 28 -5.252 7.180 -2.265
178 HA LEU 28 HA LEU 28 -2.771 5.762 -2.192
179 HB2 LEU 28 1HB LEU 28 -4.275 4.875 -3.707
180 HB3 LEU 28 2HB LEU 28 -4.764 6.460 -4.303
181 HG LEU 28 HG LEU 28 -2.417 6.590 -5.327
182 HD11 LEU 28 1HD1 LEU 28 -2.186 3.778 -5.722
183 HD12 LEU 28 2HD1 LEU 28 -2.197 4.113 -3.991
184 HD13 LEU 28 3HD1 LEU 28 -1.014 4.903 -5.034
185 HD21 LEU 28 3HD2 LEU 28 -4.807 5.844 -6.329
186 HD22 LEU 28 1HD2 LEU 28 -3.853 4.402 -6.679
187 HD23 LEU 28 2HD2 LEU 28 -3.334 5.972 -7.292
188 H ILE 29 H ILE 29 -3.838 8.805 -3.690
189 HA ILE 29 HA ILE 29 -1.544 9.557 -4.996
190 HB ILE 29 HB ILE 29 -3.469 11.311 -3.471
191 HG12 ILE 29 1HG1 ILE 29 -3.294 11.004 -6.454
192 HG13 ILE 29 2HG1 ILE 29 -4.185 9.831 -5.491
193 HG21 ILE 29 1HG2 ILE 29 -1.289 12.415 -3.816
194 HG22 ILE 29 2HG2 ILE 29 -1.446 12.133 -5.549
195 HG23 ILE 29 3HG2 ILE 29 -2.593 13.185 -4.719
196 HD11 ILE 29 3HD1 ILE 29 -4.854 12.608 -4.891
197 HD12 ILE 29 1HD1 ILE 29 -5.217 12.115 -6.544
198 HD13 ILE 29 2HD1 ILE 29 -5.902 11.221 -5.186
199 H LYS 30 H LYS 30 -2.374 10.310 -1.612
200 HA LYS 30 HA LYS 30 -0.152 11.719 -0.858
201 HB2 LYS 30 1HB LYS 30 -1.593 9.625 0.780
202 HB3 LYS 30 2HB LYS 30 -0.538 10.876 1.426
203 HG2 LYS 30 1HG LYS 30 -3.003 11.510 -0.167
204 HG3 LYS 30 2HG LYS 30 -3.026 11.291 1.584
205 HD2 LYS 30 1HD LYS 30 -1.214 13.249 0.183
206 HD3 LYS 30 2HD LYS 30 -2.817 13.674 0.788
207 HE2 LYS 30 1HE LYS 30 -1.864 12.578 3.003
208 HE3 LYS 30 2HE LYS 30 -0.324 13.032 2.276
209 HZ1 LYS 30 3HZ LYS 30 -2.421 15.059 2.320
210 HZ2 LYS 30 1HZ LYS 30 -0.749 15.226 2.518
211 HZ3 LYS 30 2HZ LYS 30 -1.701 14.672 3.801
212 H HIS 31 H HIS 31 -0.506 8.185 -0.916
213 HA HIS 31 HA HIS 31 1.989 7.509 0.119
214 HB2 HIS 31 1HB HIS 31 0.508 5.720 -0.076
215 HB3 HIS 31 2HB HIS 31 0.078 6.126 -1.735
216 HD1 HIS 31 HD1 HIS 31 3.280 5.063 0.046
217 HD2 HIS 31 HD2 HIS 31 1.156 4.358 -3.454
218 HE1 HIS 31 HE1 HIS 31 4.610 3.339 -1.212
219 H GLN 32 H GLN 32 1.043 7.772 -3.311
220 HA GLN 32 HA GLN 32 3.316 7.212 -4.621
221 HB2 GLN 32 1HB GLN 32 1.504 9.577 -5.124
222 HB3 GLN 32 2HB GLN 32 2.725 9.017 -6.259
223 HG2 GLN 32 1HG GLN 32 1.586 6.831 -6.354
224 HG3 GLN 32 2HG GLN 32 0.330 7.471 -5.296
225 HE21 GLN 32 1HE2 GLN 32 -1.006 6.798 -7.162
226 HE22 GLN 32 2HE2 GLN 32 -1.245 7.937 -8.439
227 H LYS 33 H LYS 33 2.827 9.934 -2.520
228 HA LYS 33 HA LYS 33 4.917 11.598 -3.324
229 HB2 LYS 33 1HB LYS 33 3.839 11.136 -0.536
230 HB3 LYS 33 2HB LYS 33 4.847 12.494 -1.021
231 HG2 LYS 33 1HG LYS 33 2.208 11.929 -2.330
232 HG3 LYS 33 2HG LYS 33 2.343 12.894 -0.858
233 HD2 LYS 33 1HD LYS 33 3.905 14.405 -2.036
234 HD3 LYS 33 2HD LYS 33 3.665 13.466 -3.511
235 HE2 LYS 33 1HE LYS 33 1.312 14.604 -2.059
236 HE3 LYS 33 2HE LYS 33 2.281 15.636 -3.110
237 HZ1 LYS 33 3HZ LYS 33 0.682 14.846 -4.537
238 HZ2 LYS 33 1HZ LYS 33 0.614 13.318 -3.814
239 HZ3 LYS 33 2HZ LYS 33 1.925 13.729 -4.800
240 H ILE 34 H ILE 34 4.910 8.971 -0.929
241 HA ILE 34 HA ILE 34 7.571 9.187 -0.116
242 HB ILE 34 HB ILE 34 7.384 7.013 0.796
243 HG12 ILE 34 1HG1 ILE 34 5.194 5.689 0.035
244 HG13 ILE 34 2HG1 ILE 34 5.472 6.592 -1.450
245 HG21 ILE 34 1HG2 ILE 34 5.155 8.847 0.967
246 HG22 ILE 34 2HG2 ILE 34 4.660 7.189 1.301
247 HG23 ILE 34 3HG2 ILE 34 5.958 7.927 2.240
248 HD11 ILE 34 3HD1 ILE 34 6.517 4.202 -1.027
249 HD12 ILE 34 1HD1 ILE 34 7.360 5.443 -1.954
250 HD13 ILE 34 2HD1 ILE 34 7.779 5.167 -0.263
251 H HIS 35 H HIS 35 6.348 8.334 -3.134
252 HA HIS 35 HA HIS 35 8.705 6.749 -3.852
253 HB2 HIS 35 1HB HIS 35 6.036 7.206 -5.158
254 HB3 HIS 35 2HB HIS 35 7.391 6.563 -6.081
255 HD1 HIS 35 HD1 HIS 35 8.589 4.512 -4.296
256 HD2 HIS 35 HD2 HIS 35 4.482 5.090 -4.543
257 HE1 HIS 35 HE1 HIS 35 7.558 2.354 -3.518
258 H THR 36 H THR 36 8.278 9.831 -3.485
259 HA THR 36 HA THR 36 9.631 10.580 -5.996
260 HB THR 36 HB THR 36 7.890 12.386 -4.308
261 HG1 THR 36 HG1 THR 36 7.373 11.029 -6.761
262 HG21 THR 36 3HG2 THR 36 8.485 13.098 -7.089
263 HG22 THR 36 1HG2 THR 36 9.895 13.087 -6.031
264 HG23 THR 36 2HG2 THR 36 8.504 14.096 -5.635
265 H LYS 37 H LYS 37 11.643 10.073 -4.946
266 HA LYS 37 HA LYS 37 12.573 11.103 -2.554
267 HB2 LYS 37 1HB LYS 37 14.843 10.834 -3.506
268 HB3 LYS 37 2HB LYS 37 13.819 9.431 -3.784
269 HG2 LYS 37 1HG LYS 37 13.360 10.326 -6.074
270 HG3 LYS 37 2HG LYS 37 14.586 11.558 -5.767
271 HD2 LYS 37 1HD LYS 37 15.194 8.639 -5.431
272 HD3 LYS 37 2HD LYS 37 15.289 9.417 -7.013
273 HE2 LYS 37 1HE LYS 37 16.861 11.071 -6.055
274 HE3 LYS 37 2HE LYS 37 16.814 10.193 -4.528
275 HZ1 LYS 37 3HZ LYS 37 17.402 8.447 -6.688
276 HZ2 LYS 37 1HZ LYS 37 18.297 8.750 -5.285
277 HZ3 LYS 37 2HZ LYS 37 18.504 9.730 -6.648
278 H GLN 38 H GLN 38 14.028 12.871 -2.104
279 HA GLN 38 HA GLN 38 13.837 15.122 -3.981
280 HB2 GLN 38 1HB GLN 38 12.099 15.422 -2.278
281 HB3 GLN 38 2HB GLN 38 13.306 15.269 -1.008
282 HG2 GLN 38 1HG GLN 38 12.693 17.593 -1.395
283 HG3 GLN 38 2HG GLN 38 14.393 17.300 -1.760
284 HE21 GLN 38 1HE2 GLN 38 11.204 17.553 -3.255
285 HE22 GLN 38 2HE2 GLN 38 11.762 18.194 -4.759
286 H LYS 39 H LYS 39 16.022 14.608 -4.512
287 HA LYS 39 HA LYS 39 18.209 14.191 -3.047
288 HB2 LYS 39 1HB LYS 39 19.491 15.648 -4.620
289 HB3 LYS 39 2HB LYS 39 18.400 14.522 -5.417
290 HG2 LYS 39 1HG LYS 39 17.569 17.341 -4.842
291 HG3 LYS 39 2HG LYS 39 18.510 16.931 -6.278
292 HD2 LYS 39 1HD LYS 39 16.630 15.083 -6.533
293 HD3 LYS 39 2HD LYS 39 15.702 16.241 -5.576
294 HE2 LYS 39 1HE LYS 39 17.181 16.950 -8.104
295 HE3 LYS 39 2HE LYS 39 15.479 16.495 -8.060
296 HZ1 LYS 39 3HZ LYS 39 14.939 18.396 -6.829
297 HZ2 LYS 39 1HZ LYS 39 16.003 18.952 -8.021
298 HZ3 LYS 39 2HZ LYS 39 16.551 18.725 -6.437
299 HA PRO 40 HA PRO 40 18.657 17.356 -0.021
300 HB2 PRO 40 1HB PRO 40 21.321 17.127 0.453
301 HB3 PRO 40 2HB PRO 40 20.138 15.943 1.022
302 HG2 PRO 40 1HG PRO 40 21.925 15.833 -1.378
303 HG3 PRO 40 2HG PRO 40 21.542 14.556 -0.210
304 HD2 PRO 40 1HD PRO 40 20.362 14.707 -2.642
305 HD3 PRO 40 2HD PRO 40 19.524 14.070 -1.213
306 H SER 41 H SER 41 20.033 19.305 0.457
307 HA SER 41 HA SER 41 20.584 20.711 -2.054
308 HB2 SER 41 1HB SER 41 19.789 21.583 0.697
309 HB3 SER 41 2HB SER 41 20.645 22.718 -0.347
310 HG SER 41 HG SER 41 18.064 21.803 -0.488
311 H GLY 42 H GLY 42 22.661 20.064 -2.545
312 HA2 GLY 42 1HA GLY 42 24.865 21.302 -2.145
313 HA3 GLY 42 2HA GLY 42 24.734 20.628 -0.527
314 HA PRO 43 HA PRO 43 27.295 17.695 -2.988
315 HB2 PRO 43 1HB PRO 43 29.036 17.182 -0.970
316 HB3 PRO 43 2HB PRO 43 29.215 18.557 -2.067
317 HG2 PRO 43 1HG PRO 43 28.078 18.478 0.701
318 HG3 PRO 43 2HG PRO 43 29.172 19.670 -0.026
319 HD2 PRO 43 1HD PRO 43 26.511 20.102 0.235
320 HD3 PRO 43 2HD PRO 43 27.458 20.765 -1.112
321 H SER 44 H SER 44 26.974 15.543 -3.040
322 HA SER 44 HA SER 44 25.028 14.242 -1.646
323 HB2 SER 44 1HB SER 44 26.504 13.474 -3.673
324 HB3 SER 44 2HB SER 44 27.479 12.698 -2.426
325 HG SER 44 HG SER 44 25.867 11.350 -1.972
326 H SER 45 H SER 45 28.508 13.836 -0.960
327 HA SER 45 HA SER 45 27.798 13.390 1.864
328 HB2 SER 45 1HB SER 45 28.425 11.265 0.722
329 HB3 SER 45 2HB SER 45 30.001 11.965 0.353
330 HG SER 45 HG SER 45 29.139 12.005 3.008
331 H GLY 46 H GLY 46 28.730 14.783 3.204
332 HA2 GLY 46 1HA GLY 46 30.902 15.662 4.008
333 HA3 GLY 46 2HA GLY 46 31.241 16.078 2.334
Start of MODEL 2
1 H1 GLY 1 H GLY 1 6.128 -23.730 -9.495
2 HA2 GLY 1 1HA GLY 1 5.571 -24.997 -12.077
3 HA3 GLY 1 2HA GLY 1 4.876 -25.732 -10.640
4 H SER 2 H SER 2 2.977 -24.993 -9.911
5 HA SER 2 HA SER 2 1.888 -22.588 -11.210
6 HB2 SER 2 1HB SER 2 0.535 -24.481 -11.734
7 HB3 SER 2 2HB SER 2 0.539 -25.034 -10.059
8 HG SER 2 HG SER 2 -0.728 -23.252 -9.512
9 H SER 3 H SER 3 0.686 -21.085 -9.979
10 HA SER 3 HA SER 3 1.008 -21.273 -7.064
11 HB2 SER 3 1HB SER 3 2.786 -19.812 -8.121
12 HB3 SER 3 2HB SER 3 1.489 -18.723 -8.614
13 HG SER 3 HG SER 3 2.330 -19.394 -6.001
14 H GLY 4 H GLY 4 -0.565 -20.203 -5.832
15 HA2 GLY 4 1HA GLY 4 -2.977 -19.473 -7.370
16 HA3 GLY 4 2HA GLY 4 -2.998 -20.183 -5.763
17 H SER 5 H SER 5 -4.513 -18.170 -5.719
18 HA SER 5 HA SER 5 -3.191 -16.207 -4.121
19 HB2 SER 5 1HB SER 5 -3.504 -14.265 -5.479
20 HB3 SER 5 2HB SER 5 -2.682 -15.455 -6.489
21 HG SER 5 HG SER 5 -4.698 -14.235 -7.268
22 H SER 6 H SER 6 -4.624 -14.975 -2.907
23 HA SER 6 HA SER 6 -7.487 -15.329 -3.412
24 HB2 SER 6 1HB SER 6 -6.804 -17.105 -1.824
25 HB3 SER 6 2HB SER 6 -6.190 -15.867 -0.729
26 HG SER 6 HG SER 6 -8.548 -15.054 -1.118
27 H GLY 7 H GLY 7 -8.777 -13.652 -2.714
28 HA2 GLY 7 1HA GLY 7 -7.689 -11.561 -1.030
29 HA3 GLY 7 2HA GLY 7 -7.924 -11.096 -2.709
30 H THR 8 H THR 8 -9.243 -9.768 -0.704
31 HA THR 8 HA THR 8 -11.991 -10.247 -1.459
32 HB THR 8 HB THR 8 -11.239 -10.345 1.469
33 HG1 THR 8 HG1 THR 8 -11.859 -12.335 -0.431
34 HG21 THR 8 3HG2 THR 8 -13.387 -9.964 1.928
35 HG22 THR 8 1HG2 THR 8 -13.902 -11.222 0.804
36 HG23 THR 8 2HG2 THR 8 -13.631 -9.578 0.225
37 H GLY 9 H GLY 9 -13.138 -8.389 -1.521
38 HA2 GLY 9 1HA GLY 9 -13.658 -6.244 -0.410
39 HA3 GLY 9 2HA GLY 9 -11.924 -6.021 -0.234
40 H GLU 10 H GLU 10 -13.261 -4.001 -1.351
41 HA GLU 10 HA GLU 10 -12.799 -4.283 -4.247
42 HB2 GLU 10 1HB GLU 10 -15.137 -3.696 -3.419
43 HB3 GLU 10 2HB GLU 10 -14.468 -2.146 -2.930
44 HG2 GLU 10 1HG GLU 10 -13.968 -1.551 -5.162
45 HG3 GLU 10 2HG GLU 10 -14.276 -3.187 -5.739
46 H LYS 11 H LYS 11 -10.722 -3.668 -4.521
47 HA LYS 11 HA LYS 11 -9.992 -0.978 -3.567
48 HB2 LYS 11 1HB LYS 11 -8.105 -3.315 -3.902
49 HB3 LYS 11 2HB LYS 11 -7.697 -1.717 -3.293
50 HG2 LYS 11 1HG LYS 11 -9.271 -2.127 -1.396
51 HG3 LYS 11 2HG LYS 11 -9.433 -3.788 -1.972
52 HD2 LYS 11 1HD LYS 11 -6.744 -2.582 -1.393
53 HD3 LYS 11 2HD LYS 11 -7.721 -3.312 -0.117
54 HE2 LYS 11 1HE LYS 11 -7.206 -4.825 -2.641
55 HE3 LYS 11 2HE LYS 11 -5.953 -4.741 -1.404
56 HZ1 LYS 11 3HZ LYS 11 -7.123 -6.042 -0.001
57 HZ2 LYS 11 1HZ LYS 11 -7.826 -6.606 -1.433
58 HZ3 LYS 11 2HZ LYS 11 -8.627 -5.447 -0.497
59 HA PRO 12 HA PRO 12 -9.787 -1.032 -8.180
60 HB2 PRO 12 1HB PRO 12 -10.803 1.469 -8.471
61 HB3 PRO 12 2HB PRO 12 -11.820 0.031 -8.316
62 HG2 PRO 12 1HG PRO 12 -11.054 2.043 -6.235
63 HG3 PRO 12 2HG PRO 12 -12.632 1.295 -6.542
64 HD2 PRO 12 1HD PRO 12 -10.987 0.464 -4.558
65 HD3 PRO 12 2HD PRO 12 -12.073 -0.642 -5.425
66 H TYR 13 H TYR 13 -8.230 0.496 -5.674
67 HA TYR 13 HA TYR 13 -6.490 1.998 -7.518
68 HB2 TYR 13 1HB TYR 13 -6.893 2.561 -4.576
69 HB3 TYR 13 2HB TYR 13 -5.984 3.534 -5.727
70 HD1 TYR 13 HD2 TYR 13 -7.720 3.809 -8.000
71 HD2 TYR 13 HD1 TYR 13 -8.730 3.768 -3.867
72 HE1 TYR 13 HE2 TYR 13 -9.739 5.126 -8.486
73 HE2 TYR 13 HE1 TYR 13 -10.753 5.084 -4.342
74 HH TYR 13 HH TYR 13 -11.720 6.459 -5.948
75 H ILE 14 H ILE 14 -4.447 1.345 -7.667
76 HA ILE 14 HA ILE 14 -3.191 -0.051 -5.431
77 HB ILE 14 HB ILE 14 -3.300 -1.212 -8.218
78 HG12 ILE 14 1HG1 ILE 14 -4.330 -2.396 -5.636
79 HG13 ILE 14 2HG1 ILE 14 -5.345 -1.490 -6.753
80 HG21 ILE 14 1HG2 ILE 14 -1.660 -2.666 -7.677
81 HG22 ILE 14 2HG2 ILE 14 -1.188 -1.380 -6.566
82 HG23 ILE 14 3HG2 ILE 14 -2.140 -2.745 -5.982
83 HD11 ILE 14 3HD1 ILE 14 -4.106 -3.380 -8.347
84 HD12 ILE 14 1HD1 ILE 14 -4.480 -4.241 -6.854
85 HD13 ILE 14 2HD1 ILE 14 -5.764 -3.424 -7.746
86 H CYS 15 H CYS 15 -1.279 0.844 -5.081
87 HA CYS 15 HA CYS 15 -0.087 2.666 -6.906
88 HB2 CYS 15 1HB CYS 15 0.121 2.832 -4.432
89 HB3 CYS 15 2HB CYS 15 1.139 1.396 -4.450
90 H ALA 16 H ALA 16 0.087 1.264 -8.783
91 HA ALA 16 HA ALA 16 1.435 -1.071 -9.087
92 HB1 ALA 16 3HB ALA 16 1.376 1.344 -10.872
93 HB2 ALA 16 1HB ALA 16 2.161 -0.162 -11.349
94 HB3 ALA 16 2HB ALA 16 0.433 -0.140 -10.998
95 H GLU 17 H GLU 17 2.894 2.153 -8.853
96 HA GLU 17 HA GLU 17 5.475 1.829 -9.434
97 HB2 GLU 17 1HB GLU 17 4.187 3.214 -7.116
98 HB3 GLU 17 2HB GLU 17 5.941 3.153 -7.208
99 HG2 GLU 17 1HG GLU 17 5.807 4.173 -9.463
100 HG3 GLU 17 2HG GLU 17 4.067 4.342 -9.238
101 H CYS 18 H CYS 18 4.186 0.916 -6.234
102 HA CYS 18 HA CYS 18 6.482 -0.902 -5.928
103 HB2 CYS 18 1HB CYS 18 6.010 -0.775 -3.487
104 HB3 CYS 18 2HB CYS 18 6.430 0.782 -4.193
105 H GLY 19 H GLY 19 3.000 -0.616 -5.239
106 HA2 GLY 19 1HA GLY 19 1.669 -2.552 -6.110
107 HA3 GLY 19 2HA GLY 19 2.858 -3.567 -5.307
108 H LYS 20 H LYS 20 1.048 -0.667 -4.302
109 HA LYS 20 HA LYS 20 0.215 -2.153 -1.900
110 HB2 LYS 20 1HB LYS 20 1.663 -0.014 -1.735
111 HB3 LYS 20 2HB LYS 20 0.182 0.843 -2.144
112 HG2 LYS 20 1HG LYS 20 -0.842 0.303 -0.153
113 HG3 LYS 20 2HG LYS 20 0.177 -1.114 0.108
114 HD2 LYS 20 1HD LYS 20 2.105 0.600 0.296
115 HD3 LYS 20 2HD LYS 20 0.817 1.782 0.542
116 HE2 LYS 20 1HE LYS 20 0.939 -0.746 2.151
117 HE3 LYS 20 2HE LYS 20 1.883 0.671 2.608
118 HZ1 LYS 20 3HZ LYS 20 -1.065 0.635 2.251
119 HZ2 LYS 20 1HZ LYS 20 -0.137 1.952 2.766
120 HZ3 LYS 20 2HZ LYS 20 -0.267 0.576 3.741
121 H ALA 21 H ALA 21 -1.908 -2.317 -1.384
122 HA ALA 21 HA ALA 21 -3.820 -1.444 -3.409
123 HB1 ALA 21 3HB ALA 21 -5.192 -3.141 -2.726
124 HB2 ALA 21 1HB ALA 21 -3.624 -3.817 -2.283
125 HB3 ALA 21 2HB ALA 21 -4.641 -3.064 -1.053
126 H PHE 22 H PHE 22 -5.288 0.121 -3.111
127 HA PHE 22 HA PHE 22 -5.657 1.190 -0.394
128 HB2 PHE 22 1HB PHE 22 -5.102 2.699 -2.941
129 HB3 PHE 22 2HB PHE 22 -5.884 3.468 -1.564
130 HD1 PHE 22 HD1 PHE 22 -4.654 3.442 0.665
131 HD2 PHE 22 HD2 PHE 22 -2.786 2.521 -3.047
132 HE1 PHE 22 HE1 PHE 22 -2.451 3.891 1.666
133 HE2 PHE 22 HE2 PHE 22 -0.580 2.967 -2.052
134 HZ PHE 22 HZ PHE 22 -0.411 3.652 0.307
135 H THR 23 H THR 23 -7.608 2.778 -0.414
136 HA THR 23 HA THR 23 -9.770 1.572 -2.015
137 HB THR 23 HB THR 23 -11.303 1.944 -0.137
138 HG1 THR 23 HG1 THR 23 -8.986 3.066 1.005
139 HG21 THR 23 3HG2 THR 23 -8.910 0.427 0.883
140 HG22 THR 23 1HG2 THR 23 -9.951 -0.191 -0.398
141 HG23 THR 23 2HG2 THR 23 -10.616 0.119 1.206
142 H ILE 24 H ILE 24 -8.604 4.477 -0.372
143 HA ILE 24 HA ILE 24 -10.587 6.099 -1.786
144 HB ILE 24 HB ILE 24 -8.565 7.073 0.226
145 HG12 ILE 24 1HG1 ILE 24 -11.425 6.292 0.805
146 HG13 ILE 24 2HG1 ILE 24 -10.058 5.225 1.105
147 HG21 ILE 24 1HG2 ILE 24 -11.168 8.199 -0.794
148 HG22 ILE 24 2HG2 ILE 24 -10.223 8.890 0.523
149 HG23 ILE 24 3HG2 ILE 24 -9.548 8.822 -1.105
150 HD11 ILE 24 3HD1 ILE 24 -9.566 6.249 3.008
151 HD12 ILE 24 1HD1 ILE 24 -9.669 7.846 2.269
152 HD13 ILE 24 2HD1 ILE 24 -11.128 7.053 2.862
153 H ARG 25 H ARG 25 -10.054 6.847 -3.721
154 HA ARG 25 HA ARG 25 -7.728 6.722 -5.068
155 HB2 ARG 25 1HB ARG 25 -9.824 7.546 -6.047
156 HB3 ARG 25 2HB ARG 25 -9.645 9.057 -5.165
157 HG2 ARG 25 1HG ARG 25 -8.906 9.571 -7.303
158 HG3 ARG 25 2HG ARG 25 -7.413 9.290 -6.403
159 HD2 ARG 25 1HD ARG 25 -7.262 7.044 -7.301
160 HD3 ARG 25 2HD ARG 25 -8.804 7.247 -8.132
161 HE ARG 25 HE ARG 25 -7.032 9.270 -8.951
162 HH11 ARG 25 1HH1 ARG 25 -7.526 5.837 -9.254
163 HH12 ARG 25 2HH1 ARG 25 -6.755 5.731 -10.802
164 HH21 ARG 25 1HH2 ARG 25 -6.013 9.142 -10.988
165 HH22 ARG 25 2HH2 ARG 25 -5.893 7.611 -11.787
166 H SER 26 H SER 26 -8.587 9.195 -2.709
167 HA SER 26 HA SER 26 -6.338 10.859 -3.149
168 HB2 SER 26 1HB SER 26 -8.592 11.273 -1.829
169 HB3 SER 26 2HB SER 26 -7.636 10.709 -0.459
170 HG SER 26 HG SER 26 -7.167 12.798 -0.456
171 H ASN 27 H ASN 27 -7.008 8.327 -0.747
172 HA ASN 27 HA ASN 27 -4.775 8.450 0.816
173 HB2 ASN 27 1HB ASN 27 -6.694 6.834 1.045
174 HB3 ASN 27 2HB ASN 27 -5.938 5.855 -0.208
175 HD21 ASN 27 1HD2 ASN 27 -6.336 4.582 2.028
176 HD22 ASN 27 2HD2 ASN 27 -4.888 4.399 2.953
177 H LEU 28 H LEU 28 -5.050 6.998 -2.392
178 HA LEU 28 HA LEU 28 -2.426 5.915 -2.448
179 HB2 LEU 28 1HB LEU 28 -4.044 5.006 -3.924
180 HB3 LEU 28 2HB LEU 28 -4.413 6.591 -4.601
181 HG LEU 28 HG LEU 28 -2.119 6.617 -5.593
182 HD11 LEU 28 1HD1 LEU 28 -0.813 5.151 -4.389
183 HD12 LEU 28 2HD1 LEU 28 -1.187 4.198 -5.825
184 HD13 LEU 28 3HD1 LEU 28 -2.070 3.915 -4.324
185 HD21 LEU 28 3HD2 LEU 28 -4.430 5.448 -6.503
186 HD22 LEU 28 1HD2 LEU 28 -3.228 4.181 -6.748
187 HD23 LEU 28 2HD2 LEU 28 -2.990 5.773 -7.469
188 H ILE 29 H ILE 29 -3.829 8.825 -3.954
189 HA ILE 29 HA ILE 29 -1.680 9.881 -5.232
190 HB ILE 29 HB ILE 29 -3.682 11.392 -3.550
191 HG12 ILE 29 1HG1 ILE 29 -3.633 11.091 -6.548
192 HG13 ILE 29 2HG1 ILE 29 -4.448 9.923 -5.514
193 HG21 ILE 29 1HG2 ILE 29 -1.611 12.684 -4.010
194 HG22 ILE 29 2HG2 ILE 29 -1.907 12.468 -5.734
195 HG23 ILE 29 3HG2 ILE 29 -3.054 13.376 -4.750
196 HD11 ILE 29 3HD1 ILE 29 -5.452 12.290 -4.605
197 HD12 ILE 29 1HD1 ILE 29 -5.262 12.598 -6.330
198 HD13 ILE 29 2HD1 ILE 29 -6.230 11.230 -5.780
199 H LYS 30 H LYS 30 -2.416 10.331 -1.777
200 HA LYS 30 HA LYS 30 -0.163 11.880 -1.155
201 HB2 LYS 30 1HB LYS 30 -2.095 11.689 0.337
202 HB3 LYS 30 2HB LYS 30 -1.729 9.991 0.613
203 HG2 LYS 30 1HG LYS 30 0.426 10.659 1.622
204 HG3 LYS 30 2HG LYS 30 -0.044 12.349 1.428
205 HD2 LYS 30 1HD LYS 30 -2.159 11.672 2.750
206 HD3 LYS 30 2HD LYS 30 -1.220 10.254 3.222
207 HE2 LYS 30 1HE LYS 30 -0.918 11.876 4.927
208 HE3 LYS 30 2HE LYS 30 0.577 11.836 3.994
209 HZ1 LYS 30 3HZ LYS 30 -1.584 13.822 3.560
210 HZ2 LYS 30 1HZ LYS 30 -0.037 13.829 2.877
211 HZ3 LYS 30 2HZ LYS 30 -0.230 14.102 4.535
212 H HIS 31 H HIS 31 -0.682 8.372 -0.955
213 HA HIS 31 HA HIS 31 1.720 7.609 0.175
214 HB2 HIS 31 1HB HIS 31 0.061 5.944 -0.121
215 HB3 HIS 31 2HB HIS 31 -0.041 6.242 -1.854
216 HD1 HIS 31 HD1 HIS 31 1.770 4.265 0.676
217 HD2 HIS 31 HD2 HIS 31 2.151 5.175 -3.360
218 HE1 HIS 31 HE1 HIS 31 3.421 2.602 -0.236
219 H GLN 32 H GLN 32 0.982 8.125 -3.262
220 HA GLN 32 HA GLN 32 3.291 7.346 -4.467
221 HB2 GLN 32 1HB GLN 32 1.417 9.613 -5.011
222 HB3 GLN 32 2HB GLN 32 2.884 9.464 -5.968
223 HG2 GLN 32 1HG GLN 32 2.217 7.199 -6.620
224 HG3 GLN 32 2HG GLN 32 0.732 7.380 -5.687
225 HE21 GLN 32 1HE2 GLN 32 0.753 6.783 -8.399
226 HE22 GLN 32 2HE2 GLN 32 0.079 8.115 -9.268
227 H LYS 33 H LYS 33 2.899 9.949 -2.251
228 HA LYS 33 HA LYS 33 4.919 11.699 -2.863
229 HB2 LYS 33 1HB LYS 33 3.927 10.694 -0.203
230 HB3 LYS 33 2HB LYS 33 5.171 11.933 -0.317
231 HG2 LYS 33 1HG LYS 33 2.548 12.242 -1.727
232 HG3 LYS 33 2HG LYS 33 2.732 12.667 -0.024
233 HD2 LYS 33 1HD LYS 33 4.798 14.015 -0.878
234 HD3 LYS 33 2HD LYS 33 3.981 13.911 -2.439
235 HE2 LYS 33 1HE LYS 33 3.173 15.903 -1.582
236 HE3 LYS 33 2HE LYS 33 1.910 14.757 -1.134
237 HZ1 LYS 33 3HZ LYS 33 3.704 14.714 0.947
238 HZ2 LYS 33 1HZ LYS 33 2.183 15.455 0.938
239 HZ3 LYS 33 2HZ LYS 33 3.562 16.350 0.542
240 H ILE 34 H ILE 34 5.234 8.734 -0.912
241 HA ILE 34 HA ILE 34 7.957 8.869 -0.405
242 HB ILE 34 HB ILE 34 7.912 6.483 -0.023
243 HG12 ILE 34 1HG1 ILE 34 5.096 6.248 -0.987
244 HG13 ILE 34 2HG1 ILE 34 6.390 6.214 -2.180
245 HG21 ILE 34 1HG2 ILE 34 6.953 7.232 1.858
246 HG22 ILE 34 2HG2 ILE 34 5.818 8.259 0.984
247 HG23 ILE 34 3HG2 ILE 34 5.473 6.542 1.193
248 HD11 ILE 34 3HD1 ILE 34 6.947 4.466 0.052
249 HD12 ILE 34 1HD1 ILE 34 5.417 4.075 -0.731
250 HD13 ILE 34 2HD1 ILE 34 6.905 4.119 -1.676
251 H HIS 35 H HIS 35 6.339 8.290 -3.362
252 HA HIS 35 HA HIS 35 8.723 7.120 -4.596
253 HB2 HIS 35 1HB HIS 35 5.897 7.474 -5.606
254 HB3 HIS 35 2HB HIS 35 7.214 6.850 -6.595
255 HD1 HIS 35 HD1 HIS 35 8.357 4.582 -5.600
256 HD2 HIS 35 HD2 HIS 35 4.583 5.577 -4.176
257 HE1 HIS 35 HE1 HIS 35 7.444 2.471 -4.582
258 H THR 36 H THR 36 8.290 10.003 -3.733
259 HA THR 36 HA THR 36 8.917 11.241 -6.335
260 HB THR 36 HB THR 36 7.820 12.820 -4.028
261 HG1 THR 36 HG1 THR 36 6.461 11.075 -5.737
262 HG21 THR 36 3HG2 THR 36 8.622 14.249 -5.683
263 HG22 THR 36 1HG2 THR 36 6.909 14.116 -6.078
264 HG23 THR 36 2HG2 THR 36 8.099 13.188 -6.990
265 H LYS 37 H LYS 37 10.922 10.048 -4.884
266 HA LYS 37 HA LYS 37 12.315 12.287 -3.579
267 HB2 LYS 37 1HB LYS 37 11.931 9.984 -2.424
268 HB3 LYS 37 2HB LYS 37 13.241 9.434 -3.460
269 HG2 LYS 37 1HG LYS 37 14.227 10.013 -1.404
270 HG3 LYS 37 2HG LYS 37 14.618 11.326 -2.518
271 HD2 LYS 37 1HD LYS 37 12.580 12.523 -1.585
272 HD3 LYS 37 2HD LYS 37 12.569 11.298 -0.314
273 HE2 LYS 37 1HE LYS 37 15.017 12.922 -0.944
274 HE3 LYS 37 2HE LYS 37 13.779 13.496 0.171
275 HZ1 LYS 37 3HZ LYS 37 15.452 12.417 1.435
276 HZ2 LYS 37 1HZ LYS 37 15.438 11.052 0.434
277 HZ3 LYS 37 2HZ LYS 37 14.110 11.387 1.425
278 H GLN 38 H GLN 38 14.423 12.821 -4.176
279 HA GLN 38 HA GLN 38 15.074 12.899 -6.823
280 HB2 GLN 38 1HB GLN 38 16.667 13.113 -4.320
281 HB3 GLN 38 2HB GLN 38 17.551 12.955 -5.832
282 HG2 GLN 38 1HG GLN 38 16.082 14.889 -6.657
283 HG3 GLN 38 2HG GLN 38 15.707 15.142 -4.954
284 HE21 GLN 38 1HE2 GLN 38 17.091 16.261 -3.742
285 HE22 GLN 38 2HE2 GLN 38 18.660 16.780 -4.244
286 H LYS 39 H LYS 39 16.639 11.801 -8.130
287 HA LYS 39 HA LYS 39 17.437 9.920 -9.136
288 HB2 LYS 39 1HB LYS 39 19.071 10.209 -7.261
289 HB3 LYS 39 2HB LYS 39 18.113 9.079 -6.313
290 HG2 LYS 39 1HG LYS 39 18.632 7.281 -7.740
291 HG3 LYS 39 2HG LYS 39 19.267 8.356 -8.988
292 HD2 LYS 39 1HD LYS 39 20.525 8.345 -6.279
293 HD3 LYS 39 2HD LYS 39 20.895 7.043 -7.413
294 HE2 LYS 39 1HE LYS 39 21.371 8.938 -9.092
295 HE3 LYS 39 2HE LYS 39 21.430 9.983 -7.674
296 HZ1 LYS 39 3HZ LYS 39 23.555 9.379 -7.549
297 HZ2 LYS 39 1HZ LYS 39 23.360 8.088 -8.625
298 HZ3 LYS 39 2HZ LYS 39 23.005 7.882 -6.985
299 HA PRO 40 HA PRO 40 13.626 7.523 -7.702
300 HB2 PRO 40 1HB PRO 40 12.098 8.014 -9.891
301 HB3 PRO 40 2HB PRO 40 12.098 9.059 -8.465
302 HG2 PRO 40 1HG PRO 40 13.544 9.400 -11.064
303 HG3 PRO 40 2HG PRO 40 12.670 10.607 -10.103
304 HD2 PRO 40 1HD PRO 40 15.368 10.386 -10.060
305 HD3 PRO 40 2HD PRO 40 14.430 10.904 -8.645
306 H SER 41 H SER 41 12.754 5.603 -8.729
307 HA SER 41 HA SER 41 14.722 4.114 -10.107
308 HB2 SER 41 1HB SER 41 13.162 2.305 -10.077
309 HB3 SER 41 2HB SER 41 12.920 3.197 -8.575
310 HG SER 41 HG SER 41 11.283 4.355 -10.113
311 H GLY 42 H GLY 42 13.998 2.792 -12.141
312 HA2 GLY 42 1HA GLY 42 12.366 4.183 -14.047
313 HA3 GLY 42 2HA GLY 42 14.082 4.399 -14.356
314 HA PRO 43 HA PRO 43 12.306 0.205 -15.899
315 HB2 PRO 43 1HB PRO 43 11.592 0.866 -18.433
316 HB3 PRO 43 2HB PRO 43 10.467 0.927 -17.071
317 HG2 PRO 43 1HG PRO 43 11.999 3.151 -18.363
318 HG3 PRO 43 2HG PRO 43 10.310 3.121 -17.824
319 HD2 PRO 43 1HD PRO 43 12.282 4.276 -16.372
320 HD3 PRO 43 2HD PRO 43 10.874 3.498 -15.621
321 H SER 44 H SER 44 14.286 -0.714 -16.062
322 HA SER 44 HA SER 44 16.321 0.361 -17.800
323 HB2 SER 44 1HB SER 44 16.212 -2.112 -16.065
324 HB3 SER 44 2HB SER 44 17.613 -1.674 -17.042
325 HG SER 44 HG SER 44 17.987 -0.795 -15.072
326 H SER 45 H SER 45 17.364 -0.891 -19.484
327 HA SER 45 HA SER 45 15.704 -2.979 -20.697
328 HB2 SER 45 1HB SER 45 16.577 -0.416 -22.028
329 HB3 SER 45 2HB SER 45 16.129 -1.849 -22.953
330 HG SER 45 HG SER 45 14.444 -0.695 -20.991
331 H GLY 46 H GLY 46 16.822 -4.354 -22.164
332 HA2 GLY 46 1HA GLY 46 19.753 -4.062 -22.168
333 HA3 GLY 46 2HA GLY 46 19.026 -5.570 -21.636
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -1.922 -27.565 1.547
2 HA2 GLY 1 1HA GLY 1 -0.904 -25.421 1.267
3 HA3 GLY 1 2HA GLY 1 -2.028 -25.096 -0.045
4 H SER 2 H SER 2 -1.440 -23.420 2.233
5 HA SER 2 HA SER 2 -4.003 -23.495 3.677
6 HB2 SER 2 1HB SER 2 -1.912 -23.570 5.050
7 HB3 SER 2 2HB SER 2 -1.493 -21.976 4.424
8 HG SER 2 HG SER 2 -2.764 -22.275 6.538
9 H SER 3 H SER 3 -5.257 -22.466 2.114
10 HA SER 3 HA SER 3 -5.053 -19.587 2.119
11 HB2 SER 3 1HB SER 3 -5.035 -19.339 -0.321
12 HB3 SER 3 2HB SER 3 -3.587 -20.184 0.226
13 HG SER 3 HG SER 3 -4.415 -22.086 -0.515
14 H GLY 4 H GLY 4 -7.026 -18.689 2.104
15 HA2 GLY 4 1HA GLY 4 -9.293 -20.434 1.362
16 HA3 GLY 4 2HA GLY 4 -9.354 -19.246 2.655
17 H SER 5 H SER 5 -11.292 -19.236 0.740
18 HA SER 5 HA SER 5 -10.614 -17.305 -1.308
19 HB2 SER 5 1HB SER 5 -12.235 -19.216 -1.659
20 HB3 SER 5 2HB SER 5 -13.361 -18.357 -0.607
21 HG SER 5 HG SER 5 -12.228 -17.303 -2.988
22 H SER 6 H SER 6 -10.546 -15.207 -0.901
23 HA SER 6 HA SER 6 -12.621 -13.989 0.748
24 HB2 SER 6 1HB SER 6 -10.649 -14.504 2.235
25 HB3 SER 6 2HB SER 6 -9.697 -13.395 1.248
26 HG SER 6 HG SER 6 -11.615 -11.913 1.781
27 H GLY 7 H GLY 7 -13.369 -12.195 -0.179
28 HA2 GLY 7 1HA GLY 7 -12.156 -11.214 -2.592
29 HA3 GLY 7 2HA GLY 7 -13.618 -10.601 -1.835
30 H THR 8 H THR 8 -13.414 -8.513 -1.417
31 HA THR 8 HA THR 8 -12.370 -6.477 -1.091
32 HB THR 8 HB THR 8 -11.355 -6.342 1.207
33 HG1 THR 8 HG1 THR 8 -10.964 -8.136 2.297
34 HG21 THR 8 3HG2 THR 8 -14.025 -7.736 0.971
35 HG22 THR 8 1HG2 THR 8 -13.745 -5.998 0.872
36 HG23 THR 8 2HG2 THR 8 -13.455 -6.853 2.387
37 H GLY 9 H GLY 9 -10.818 -7.978 -2.858
38 HA2 GLY 9 1HA GLY 9 -8.082 -7.287 -1.974
39 HA3 GLY 9 2HA GLY 9 -8.436 -8.669 -3.000
40 H GLU 10 H GLU 10 -10.268 -7.473 -4.757
41 HA GLU 10 HA GLU 10 -8.448 -6.143 -6.520
42 HB2 GLU 10 1HB GLU 10 -11.422 -6.616 -6.788
43 HB3 GLU 10 2HB GLU 10 -10.358 -6.065 -8.074
44 HG2 GLU 10 1HG GLU 10 -9.272 -8.125 -8.222
45 HG3 GLU 10 2HG GLU 10 -9.870 -8.653 -6.650
46 H LYS 11 H LYS 11 -7.886 -4.223 -5.452
47 HA LYS 11 HA LYS 11 -9.937 -2.310 -4.748
48 HB2 LYS 11 1HB LYS 11 -6.951 -1.873 -4.834
49 HB3 LYS 11 2HB LYS 11 -8.143 -0.925 -3.955
50 HG2 LYS 11 1HG LYS 11 -7.923 -3.817 -3.323
51 HG3 LYS 11 2HG LYS 11 -6.645 -2.736 -2.760
52 HD2 LYS 11 1HD LYS 11 -8.067 -2.588 -0.981
53 HD3 LYS 11 2HD LYS 11 -8.724 -1.289 -1.979
54 HE2 LYS 11 1HE LYS 11 -10.510 -2.697 -1.119
55 HE3 LYS 11 2HE LYS 11 -10.402 -2.833 -2.874
56 HZ1 LYS 11 3HZ LYS 11 -10.083 -4.852 -0.877
57 HZ2 LYS 11 1HZ LYS 11 -8.770 -4.811 -1.942
58 HZ3 LYS 11 2HZ LYS 11 -10.338 -5.015 -2.542
59 HA PRO 12 HA PRO 12 -10.112 -0.144 -8.568
60 HB2 PRO 12 1HB PRO 12 -10.745 2.342 -7.681
61 HB3 PRO 12 2HB PRO 12 -11.896 1.001 -7.681
62 HG2 PRO 12 1HG PRO 12 -10.249 2.082 -5.428
63 HG3 PRO 12 2HG PRO 12 -11.949 1.580 -5.430
64 HD2 PRO 12 1HD PRO 12 -9.966 0.003 -4.475
65 HD3 PRO 12 2HD PRO 12 -11.419 -0.656 -5.252
66 H TYR 13 H TYR 13 -7.870 0.701 -6.104
67 HA TYR 13 HA TYR 13 -6.146 1.955 -8.103
68 HB2 TYR 13 1HB TYR 13 -6.482 3.203 -5.379
69 HB3 TYR 13 2HB TYR 13 -5.645 3.863 -6.779
70 HD1 TYR 13 HD2 TYR 13 -7.264 4.057 -8.937
71 HD2 TYR 13 HD1 TYR 13 -8.525 4.131 -4.874
72 HE1 TYR 13 HE2 TYR 13 -9.308 5.254 -9.599
73 HE2 TYR 13 HE1 TYR 13 -10.573 5.327 -5.525
74 HH TYR 13 HH TYR 13 -11.182 6.927 -7.623
75 H ILE 14 H ILE 14 -4.200 1.061 -8.043
76 HA ILE 14 HA ILE 14 -3.123 0.124 -5.482
77 HB ILE 14 HB ILE 14 -3.131 -1.521 -8.015
78 HG12 ILE 14 1HG1 ILE 14 -4.427 -2.076 -5.338
79 HG13 ILE 14 2HG1 ILE 14 -5.284 -1.478 -6.755
80 HG21 ILE 14 1HG2 ILE 14 -1.628 -2.939 -7.097
81 HG22 ILE 14 2HG2 ILE 14 -1.134 -1.487 -6.229
82 HG23 ILE 14 3HG2 ILE 14 -2.200 -2.657 -5.454
83 HD11 ILE 14 3HD1 ILE 14 -4.929 -4.112 -6.040
84 HD12 ILE 14 1HD1 ILE 14 -5.460 -3.516 -7.612
85 HD13 ILE 14 2HD1 ILE 14 -3.754 -3.867 -7.332
86 H CYS 15 H CYS 15 -1.230 1.071 -5.174
87 HA CYS 15 HA CYS 15 0.167 2.574 -7.039
88 HB2 CYS 15 1HB CYS 15 0.466 2.723 -4.578
89 HB3 CYS 15 2HB CYS 15 1.324 1.186 -4.612
90 H ALA 16 H ALA 16 1.629 2.151 -8.581
91 HA ALA 16 HA ALA 16 2.280 -0.649 -9.102
92 HB1 ALA 16 3HB ALA 16 3.338 0.824 -11.178
93 HB2 ALA 16 1HB ALA 16 1.767 0.021 -11.165
94 HB3 ALA 16 2HB ALA 16 1.890 1.726 -10.730
95 H GLU 17 H GLU 17 3.728 2.249 -7.947
96 HA GLU 17 HA GLU 17 6.410 1.815 -8.642
97 HB2 GLU 17 1HB GLU 17 5.143 3.261 -6.318
98 HB3 GLU 17 2HB GLU 17 6.881 3.232 -6.581
99 HG2 GLU 17 1HG GLU 17 6.775 4.599 -8.397
100 HG3 GLU 17 2HG GLU 17 5.151 4.075 -8.837
101 H CYS 18 H CYS 18 4.505 0.704 -5.881
102 HA CYS 18 HA CYS 18 6.733 -1.085 -5.161
103 HB2 CYS 18 1HB CYS 18 5.754 -1.031 -2.831
104 HB3 CYS 18 2HB CYS 18 6.490 0.473 -3.373
105 H GLY 19 H GLY 19 3.195 -0.716 -5.093
106 HA2 GLY 19 1HA GLY 19 1.927 -2.537 -6.189
107 HA3 GLY 19 2HA GLY 19 3.002 -3.654 -5.362
108 H LYS 20 H LYS 20 1.581 -0.766 -3.939
109 HA LYS 20 HA LYS 20 0.360 -2.435 -1.883
110 HB2 LYS 20 1HB LYS 20 1.773 -0.362 -1.394
111 HB3 LYS 20 2HB LYS 20 0.402 0.578 -1.968
112 HG2 LYS 20 1HG LYS 20 -0.985 -0.212 -0.212
113 HG3 LYS 20 2HG LYS 20 0.204 -1.426 0.264
114 HD2 LYS 20 1HD LYS 20 1.769 0.593 0.653
115 HD3 LYS 20 2HD LYS 20 0.283 1.547 0.642
116 HE2 LYS 20 1HE LYS 20 0.467 -0.888 2.362
117 HE3 LYS 20 2HE LYS 20 1.234 0.610 2.888
118 HZ1 LYS 20 3HZ LYS 20 -1.598 0.527 2.041
119 HZ2 LYS 20 1HZ LYS 20 -0.808 1.711 2.956
120 HZ3 LYS 20 2HZ LYS 20 -1.137 0.197 3.635
121 H ALA 21 H ALA 21 -1.831 -1.734 -1.070
122 HA ALA 21 HA ALA 21 -3.584 -1.098 -3.355
123 HB1 ALA 21 3HB ALA 21 -3.588 -3.346 -1.577
124 HB2 ALA 21 1HB ALA 21 -5.099 -2.450 -1.416
125 HB3 ALA 21 2HB ALA 21 -4.589 -3.043 -2.997
126 H PHE 22 H PHE 22 -5.450 0.151 -2.950
127 HA PHE 22 HA PHE 22 -5.696 1.406 -0.327
128 HB2 PHE 22 1HB PHE 22 -5.359 2.995 -2.880
129 HB3 PHE 22 2HB PHE 22 -5.733 3.668 -1.296
130 HD1 PHE 22 HD2 PHE 22 -3.147 2.019 -3.324
131 HD2 PHE 22 HD1 PHE 22 -4.042 3.974 0.350
132 HE1 PHE 22 HE2 PHE 22 -0.742 2.205 -2.841
133 HE2 PHE 22 HE1 PHE 22 -1.638 4.164 0.838
134 HZ PHE 22 HZ PHE 22 0.016 3.278 -0.757
135 H THR 23 H THR 23 -7.667 2.861 -0.265
136 HA THR 23 HA THR 23 -9.808 1.643 -1.883
137 HB THR 23 HB THR 23 -10.021 2.845 0.884
138 HG1 THR 23 HG1 THR 23 -10.470 0.133 0.240
139 HG21 THR 23 3HG2 THR 23 -12.123 3.176 -0.044
140 HG22 THR 23 1HG2 THR 23 -12.292 1.591 0.708
141 HG23 THR 23 2HG2 THR 23 -12.029 1.718 -1.031
142 H ILE 24 H ILE 24 -8.720 4.655 -0.363
143 HA ILE 24 HA ILE 24 -10.593 6.154 -2.055
144 HB ILE 24 HB ILE 24 -8.916 7.312 0.160
145 HG12 ILE 24 1HG1 ILE 24 -11.716 6.186 0.380
146 HG13 ILE 24 2HG1 ILE 24 -10.270 5.442 1.052
147 HG21 ILE 24 1HG2 ILE 24 -10.713 9.007 0.188
148 HG22 ILE 24 2HG2 ILE 24 -9.870 8.925 -1.358
149 HG23 ILE 24 3HG2 ILE 24 -11.465 8.194 -1.184
150 HD11 ILE 24 3HD1 ILE 24 -10.717 6.551 2.915
151 HD12 ILE 24 1HD1 ILE 24 -10.230 8.015 2.061
152 HD13 ILE 24 2HD1 ILE 24 -11.931 7.549 2.115
153 H ARG 25 H ARG 25 -9.911 7.432 -3.671
154 HA ARG 25 HA ARG 25 -7.495 7.173 -4.910
155 HB2 ARG 25 1HB ARG 25 -8.795 9.862 -4.986
156 HB3 ARG 25 2HB ARG 25 -8.123 8.907 -6.301
157 HG2 ARG 25 1HG ARG 25 -10.328 8.673 -6.771
158 HG3 ARG 25 2HG ARG 25 -10.133 7.304 -5.674
159 HD2 ARG 25 1HD ARG 25 -11.970 8.270 -4.734
160 HD3 ARG 25 2HD ARG 25 -10.711 9.146 -3.864
161 HE ARG 25 HE ARG 25 -11.118 10.750 -5.956
162 HH11 ARG 25 1HH1 ARG 25 -13.361 9.176 -3.809
163 HH12 ARG 25 2HH1 ARG 25 -14.566 10.413 -3.950
164 HH21 ARG 25 1HH2 ARG 25 -12.697 12.385 -6.151
165 HH22 ARG 25 2HH2 ARG 25 -14.188 12.237 -5.283
166 H SER 26 H SER 26 -8.378 9.647 -2.521
167 HA SER 26 HA SER 26 -5.938 11.043 -2.567
168 HB2 SER 26 1HB SER 26 -8.052 11.899 -1.555
169 HB3 SER 26 2HB SER 26 -7.838 10.759 -0.227
170 HG SER 26 HG SER 26 -7.005 13.039 -0.019
171 H ASN 27 H ASN 27 -7.007 8.225 -0.757
172 HA ASN 27 HA ASN 27 -4.938 8.081 1.114
173 HB2 ASN 27 1HB ASN 27 -7.115 6.675 0.897
174 HB3 ASN 27 2HB ASN 27 -6.138 5.615 -0.115
175 HD21 ASN 27 1HD2 ASN 27 -7.317 4.836 2.295
176 HD22 ASN 27 2HD2 ASN 27 -6.061 4.473 3.425
177 H LEU 28 H LEU 28 -5.080 7.088 -2.245
178 HA LEU 28 HA LEU 28 -2.473 5.810 -2.107
179 HB2 LEU 28 1HB LEU 28 -3.940 4.662 -3.508
180 HB3 LEU 28 2HB LEU 28 -4.547 6.146 -4.240
181 HG LEU 28 HG LEU 28 -2.140 6.347 -5.203
182 HD11 LEU 28 1HD1 LEU 28 -2.292 3.398 -4.598
183 HD12 LEU 28 2HD1 LEU 28 -1.148 4.550 -3.908
184 HD13 LEU 28 3HD1 LEU 28 -1.091 4.174 -5.630
185 HD21 LEU 28 3HD2 LEU 28 -4.435 5.709 -6.301
186 HD22 LEU 28 1HD2 LEU 28 -3.693 4.113 -6.419
187 HD23 LEU 28 2HD2 LEU 28 -2.923 5.502 -7.187
188 H ILE 29 H ILE 29 -3.959 8.721 -3.422
189 HA ILE 29 HA ILE 29 -1.789 9.652 -4.929
190 HB ILE 29 HB ILE 29 -3.925 11.231 -3.493
191 HG12 ILE 29 1HG1 ILE 29 -3.844 10.807 -6.447
192 HG13 ILE 29 2HG1 ILE 29 -4.384 9.475 -5.431
193 HG21 ILE 29 1HG2 ILE 29 -1.557 12.116 -4.815
194 HG22 ILE 29 2HG2 ILE 29 -2.961 12.604 -5.762
195 HG23 ILE 29 3HG2 ILE 29 -2.834 13.075 -4.068
196 HD11 ILE 29 3HD1 ILE 29 -5.862 11.687 -6.347
197 HD12 ILE 29 1HD1 ILE 29 -6.390 10.382 -5.284
198 HD13 ILE 29 2HD1 ILE 29 -5.703 11.854 -4.598
199 H LYS 30 H LYS 30 -2.489 9.842 -1.504
200 HA LYS 30 HA LYS 30 -0.376 11.721 -0.953
201 HB2 LYS 30 1HB LYS 30 -2.504 11.479 0.399
202 HB3 LYS 30 2HB LYS 30 -1.839 9.978 1.030
203 HG2 LYS 30 1HG LYS 30 0.160 11.359 1.776
204 HG3 LYS 30 2HG LYS 30 -0.836 12.776 1.434
205 HD2 LYS 30 1HD LYS 30 -1.972 10.605 3.128
206 HD3 LYS 30 2HD LYS 30 -0.775 11.692 3.837
207 HE2 LYS 30 1HE LYS 30 -2.815 12.714 4.321
208 HE3 LYS 30 2HE LYS 30 -2.237 13.583 2.901
209 HZ1 LYS 30 3HZ LYS 30 -3.980 12.912 1.720
210 HZ2 LYS 30 1HZ LYS 30 -4.676 12.400 3.175
211 HZ3 LYS 30 2HZ LYS 30 -3.819 11.302 2.215
212 H HIS 31 H HIS 31 -0.552 8.393 -1.509
213 HA HIS 31 HA HIS 31 1.812 7.777 0.090
214 HB2 HIS 31 1HB HIS 31 0.314 6.016 0.285
215 HB3 HIS 31 2HB HIS 31 -0.217 6.145 -1.389
216 HD1 HIS 31 HD1 HIS 31 2.330 4.532 0.779
217 HD2 HIS 31 HD2 HIS 31 1.450 4.840 -3.270
218 HE1 HIS 31 HE1 HIS 31 3.723 2.767 -0.348
219 H GLN 32 H GLN 32 0.785 7.256 -3.290
220 HA GLN 32 HA GLN 32 3.058 6.466 -4.478
221 HB2 GLN 32 1HB GLN 32 0.965 8.402 -5.404
222 HB3 GLN 32 2HB GLN 32 2.353 8.055 -6.427
223 HG2 GLN 32 1HG GLN 32 1.765 5.628 -6.241
224 HG3 GLN 32 2HG GLN 32 0.274 6.123 -5.441
225 HE21 GLN 32 1HE2 GLN 32 -0.571 4.883 -7.336
226 HE22 GLN 32 2HE2 GLN 32 -0.877 5.768 -8.787
227 H LYS 33 H LYS 33 2.487 9.612 -3.112
228 HA LYS 33 HA LYS 33 4.492 11.103 -4.339
229 HB2 LYS 33 1HB LYS 33 4.307 12.626 -2.524
230 HB3 LYS 33 2HB LYS 33 2.704 11.941 -2.762
231 HG2 LYS 33 1HG LYS 33 3.185 10.348 -0.907
232 HG3 LYS 33 2HG LYS 33 4.688 11.227 -0.616
233 HD2 LYS 33 1HD LYS 33 2.046 12.647 -0.677
234 HD3 LYS 33 2HD LYS 33 2.615 11.840 0.786
235 HE2 LYS 33 1HE LYS 33 4.578 13.216 0.851
236 HE3 LYS 33 2HE LYS 33 4.202 13.911 -0.725
237 HZ1 LYS 33 3HZ LYS 33 3.629 15.364 1.173
238 HZ2 LYS 33 1HZ LYS 33 2.490 14.220 1.680
239 HZ3 LYS 33 2HZ LYS 33 2.301 14.998 0.191
240 H ILE 34 H ILE 34 4.658 9.106 -1.403
241 HA ILE 34 HA ILE 34 7.163 9.552 -0.494
242 HB ILE 34 HB ILE 34 7.224 7.375 0.411
243 HG12 ILE 34 1HG1 ILE 34 5.213 6.505 -1.675
244 HG13 ILE 34 2HG1 ILE 34 6.943 6.193 -1.771
245 HG21 ILE 34 1HG2 ILE 34 4.955 8.944 0.581
246 HG22 ILE 34 2HG2 ILE 34 4.326 7.322 0.300
247 HG23 ILE 34 3HG2 ILE 34 5.399 7.627 1.666
248 HD11 ILE 34 3HD1 ILE 34 5.797 4.237 -0.973
249 HD12 ILE 34 1HD1 ILE 34 6.793 4.904 0.320
250 HD13 ILE 34 2HD1 ILE 34 5.049 5.165 0.326
251 H HIS 35 H HIS 35 6.317 8.047 -3.507
252 HA HIS 35 HA HIS 35 8.988 7.047 -3.999
253 HB2 HIS 35 1HB HIS 35 6.540 7.180 -5.770
254 HB3 HIS 35 2HB HIS 35 8.062 6.420 -6.227
255 HD1 HIS 35 HD1 HIS 35 8.735 4.250 -4.858
256 HD2 HIS 35 HD2 HIS 35 4.866 5.630 -4.237
257 HE1 HIS 35 HE1 HIS 35 7.511 2.347 -3.759
258 H THR 36 H THR 36 6.962 9.741 -5.018
259 HA THR 36 HA THR 36 8.408 10.765 -7.121
260 HB THR 36 HB THR 36 7.080 12.388 -4.942
261 HG1 THR 36 HG1 THR 36 5.231 12.159 -6.139
262 HG21 THR 36 3HG2 THR 36 6.892 14.139 -6.591
263 HG22 THR 36 1HG2 THR 36 7.622 13.111 -7.823
264 HG23 THR 36 2HG2 THR 36 8.585 13.668 -6.455
265 H LYS 37 H LYS 37 10.084 12.265 -7.338
266 HA LYS 37 HA LYS 37 12.116 13.184 -6.889
267 HB2 LYS 37 1HB LYS 37 10.587 14.448 -5.254
268 HB3 LYS 37 2HB LYS 37 11.263 13.405 -4.010
269 HG2 LYS 37 1HG LYS 37 13.541 14.254 -5.062
270 HG3 LYS 37 2HG LYS 37 12.521 15.617 -5.528
271 HD2 LYS 37 1HD LYS 37 12.424 14.604 -2.720
272 HD3 LYS 37 2HD LYS 37 13.774 15.622 -3.228
273 HE2 LYS 37 1HE LYS 37 12.413 17.453 -3.616
274 HE3 LYS 37 2HE LYS 37 10.968 16.464 -3.821
275 HZ1 LYS 37 3HZ LYS 37 10.504 17.042 -1.736
276 HZ2 LYS 37 1HZ LYS 37 12.067 17.615 -1.436
277 HZ3 LYS 37 2HZ LYS 37 11.722 15.969 -1.260
278 H GLN 38 H GLN 38 12.156 10.470 -6.977
279 HA GLN 38 HA GLN 38 13.676 9.552 -4.654
280 HB2 GLN 38 1HB GLN 38 11.959 8.036 -5.374
281 HB3 GLN 38 2HB GLN 38 12.533 8.091 -7.035
282 HG2 GLN 38 1HG GLN 38 13.296 6.050 -6.226
283 HG3 GLN 38 2HG GLN 38 14.704 7.106 -6.140
284 HE21 GLN 38 1HE2 GLN 38 12.422 5.238 -4.379
285 HE22 GLN 38 2HE2 GLN 38 13.123 5.451 -2.815
286 H LYS 39 H LYS 39 13.982 9.501 -8.207
287 HA LYS 39 HA LYS 39 16.720 8.775 -8.192
288 HB2 LYS 39 1HB LYS 39 15.432 8.323 -10.155
289 HB3 LYS 39 2HB LYS 39 14.956 10.009 -10.307
290 HG2 LYS 39 1HG LYS 39 17.558 10.371 -10.508
291 HG3 LYS 39 2HG LYS 39 17.514 8.684 -11.026
292 HD2 LYS 39 1HD LYS 39 16.081 9.182 -12.842
293 HD3 LYS 39 2HD LYS 39 15.728 10.794 -12.216
294 HE2 LYS 39 1HE LYS 39 18.015 11.485 -12.636
295 HE3 LYS 39 2HE LYS 39 18.431 9.859 -13.175
296 HZ1 LYS 39 3HZ LYS 39 18.057 11.260 -15.068
297 HZ2 LYS 39 1HZ LYS 39 16.535 11.725 -14.494
298 HZ3 LYS 39 2HZ LYS 39 16.803 10.128 -14.982
299 HA PRO 40 HA PRO 40 18.668 12.618 -7.285
300 HB2 PRO 40 1HB PRO 40 21.087 12.149 -8.424
301 HB3 PRO 40 2HB PRO 40 20.575 11.390 -6.912
302 HG2 PRO 40 1HG PRO 40 20.558 10.276 -9.691
303 HG3 PRO 40 2HG PRO 40 21.048 9.496 -8.176
304 HD2 PRO 40 1HD PRO 40 18.634 9.062 -9.323
305 HD3 PRO 40 2HD PRO 40 18.874 9.033 -7.565
306 H SER 41 H SER 41 17.760 14.274 -8.406
307 HA SER 41 HA SER 41 18.512 14.586 -11.236
308 HB2 SER 41 1HB SER 41 16.537 16.033 -11.456
309 HB3 SER 41 2HB SER 41 16.086 14.440 -10.848
310 HG SER 41 HG SER 41 15.791 15.282 -8.842
311 H GLY 42 H GLY 42 18.455 17.034 -11.875
312 HA2 GLY 42 1HA GLY 42 20.442 18.321 -10.187
313 HA3 GLY 42 2HA GLY 42 19.946 18.833 -11.794
314 HA PRO 43 HA PRO 43 18.171 21.867 -8.815
315 HB2 PRO 43 1HB PRO 43 18.678 24.028 -10.379
316 HB3 PRO 43 2HB PRO 43 19.870 23.347 -9.265
317 HG2 PRO 43 1HG PRO 43 19.601 22.959 -12.221
318 HG3 PRO 43 2HG PRO 43 21.064 23.232 -11.257
319 HD2 PRO 43 1HD PRO 43 20.328 20.774 -12.124
320 HD3 PRO 43 2HD PRO 43 21.189 21.028 -10.593
321 H SER 44 H SER 44 16.280 23.157 -9.014
322 HA SER 44 HA SER 44 14.775 22.773 -11.516
323 HB2 SER 44 1HB SER 44 13.670 22.573 -8.703
324 HB3 SER 44 2HB SER 44 12.728 22.447 -10.188
325 HG SER 44 HG SER 44 13.197 20.407 -10.093
326 H SER 45 H SER 45 12.677 24.234 -11.353
327 HA SER 45 HA SER 45 13.356 26.840 -10.197
328 HB2 SER 45 1HB SER 45 12.665 26.341 -13.099
329 HB3 SER 45 2HB SER 45 12.644 27.937 -12.349
330 HG SER 45 HG SER 45 14.949 26.411 -12.028
331 H GLY 46 H GLY 46 11.481 28.370 -10.295
332 HA2 GLY 46 1HA GLY 46 9.149 27.060 -9.291
333 HA3 GLY 46 2HA GLY 46 9.343 28.789 -9.543
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -9.732 -17.472 -1.615
2 HA2 GLY 1 1HA GLY 1 -10.721 -18.521 -4.121
3 HA3 GLY 1 2HA GLY 1 -11.942 -17.710 -3.152
4 H SER 2 H SER 2 -10.689 -17.048 -5.784
5 HA SER 2 HA SER 2 -9.298 -14.554 -5.191
6 HB2 SER 2 1HB SER 2 -8.336 -15.902 -6.957
7 HB3 SER 2 2HB SER 2 -9.880 -15.962 -7.806
8 HG SER 2 HG SER 2 -8.885 -14.338 -8.805
9 H SER 3 H SER 3 -10.331 -12.685 -5.051
10 HA SER 3 HA SER 3 -13.046 -12.489 -6.158
11 HB2 SER 3 1HB SER 3 -12.780 -12.106 -3.712
12 HB3 SER 3 2HB SER 3 -11.729 -10.736 -4.070
13 HG SER 3 HG SER 3 -13.516 -9.805 -5.203
14 H GLY 4 H GLY 4 -13.381 -11.278 -7.898
15 HA2 GLY 4 1HA GLY 4 -11.986 -8.799 -8.323
16 HA3 GLY 4 2HA GLY 4 -11.483 -10.063 -9.436
17 H SER 5 H SER 5 -13.295 -11.174 -10.620
18 HA SER 5 HA SER 5 -14.646 -9.494 -12.268
19 HB2 SER 5 1HB SER 5 -14.465 -11.935 -12.619
20 HB3 SER 5 2HB SER 5 -15.662 -12.196 -11.351
21 HG SER 5 HG SER 5 -16.732 -12.217 -13.297
22 H SER 6 H SER 6 -15.859 -10.831 -9.219
23 HA SER 6 HA SER 6 -18.108 -8.933 -9.363
24 HB2 SER 6 1HB SER 6 -19.435 -10.430 -8.111
25 HB3 SER 6 2HB SER 6 -18.577 -11.461 -9.256
26 HG SER 6 HG SER 6 -18.395 -12.397 -7.253
27 H GLY 7 H GLY 7 -18.013 -7.261 -8.025
28 HA2 GLY 7 1HA GLY 7 -17.388 -7.435 -5.288
29 HA3 GLY 7 2HA GLY 7 -15.964 -6.872 -6.149
30 H THR 8 H THR 8 -18.722 -5.918 -4.571
31 HA THR 8 HA THR 8 -19.720 -3.761 -5.979
32 HB THR 8 HB THR 8 -20.098 -2.741 -3.623
33 HG1 THR 8 HG1 THR 8 -18.361 -4.417 -2.884
34 HG21 THR 8 3HG2 THR 8 -21.723 -4.090 -5.025
35 HG22 THR 8 1HG2 THR 8 -21.996 -4.121 -3.284
36 HG23 THR 8 2HG2 THR 8 -21.229 -5.495 -4.081
37 H GLY 9 H GLY 9 -16.623 -4.136 -4.564
38 HA2 GLY 9 1HA GLY 9 -15.175 -2.256 -5.651
39 HA3 GLY 9 2HA GLY 9 -16.126 -1.244 -4.573
40 H GLU 10 H GLU 10 -13.325 -3.061 -4.893
41 HA GLU 10 HA GLU 10 -12.651 -2.598 -2.108
42 HB2 GLU 10 1HB GLU 10 -13.051 -5.302 -3.281
43 HB3 GLU 10 2HB GLU 10 -11.678 -5.084 -2.206
44 HG2 GLU 10 1HG GLU 10 -13.030 -4.569 -0.382
45 HG3 GLU 10 2HG GLU 10 -14.426 -4.217 -1.399
46 H LYS 11 H LYS 11 -10.790 -1.549 -2.225
47 HA LYS 11 HA LYS 11 -8.757 -0.816 -2.959
48 HB2 LYS 11 1HB LYS 11 -8.391 -3.787 -3.388
49 HB3 LYS 11 2HB LYS 11 -7.089 -2.607 -3.346
50 HG2 LYS 11 1HG LYS 11 -7.018 -3.426 -1.210
51 HG3 LYS 11 2HG LYS 11 -8.076 -2.029 -1.000
52 HD2 LYS 11 1HD LYS 11 -9.205 -3.720 0.129
53 HD3 LYS 11 2HD LYS 11 -9.993 -3.702 -1.451
54 HE2 LYS 11 1HE LYS 11 -9.565 -5.981 -0.825
55 HE3 LYS 11 2HE LYS 11 -8.497 -5.550 -2.160
56 HZ1 LYS 11 3HZ LYS 11 -7.638 -6.760 0.020
57 HZ2 LYS 11 1HZ LYS 11 -7.455 -5.157 0.533
58 HZ3 LYS 11 2HZ LYS 11 -6.668 -5.693 -0.865
59 HA PRO 12 HA PRO 12 -10.072 -1.420 -7.468
60 HB2 PRO 12 1HB PRO 12 -11.132 1.051 -7.842
61 HB3 PRO 12 2HB PRO 12 -12.085 -0.328 -7.282
62 HG2 PRO 12 1HG PRO 12 -10.876 1.906 -5.698
63 HG3 PRO 12 2HG PRO 12 -12.482 1.169 -5.548
64 HD2 PRO 12 1HD PRO 12 -10.433 0.548 -3.891
65 HD3 PRO 12 2HD PRO 12 -11.683 -0.628 -4.346
66 H TYR 13 H TYR 13 -7.940 0.264 -5.609
67 HA TYR 13 HA TYR 13 -6.594 1.367 -7.981
68 HB2 TYR 13 1HB TYR 13 -6.511 2.691 -5.271
69 HB3 TYR 13 2HB TYR 13 -5.933 3.333 -6.805
70 HD1 TYR 13 HD2 TYR 13 -7.791 3.587 -8.663
71 HD2 TYR 13 HD1 TYR 13 -8.571 3.387 -4.485
72 HE1 TYR 13 HE2 TYR 13 -9.958 4.695 -9.021
73 HE2 TYR 13 HE1 TYR 13 -10.740 4.493 -4.831
74 HH TYR 13 HH TYR 13 -12.382 4.616 -7.222
75 H ILE 14 H ILE 14 -4.556 0.713 -8.222
76 HA ILE 14 HA ILE 14 -3.166 -0.423 -5.885
77 HB ILE 14 HB ILE 14 -3.026 -1.445 -8.724
78 HG12 ILE 14 1HG1 ILE 14 -5.130 -2.053 -7.643
79 HG13 ILE 14 2HG1 ILE 14 -4.097 -3.470 -7.802
80 HG21 ILE 14 1HG2 ILE 14 -1.544 -3.129 -7.928
81 HG22 ILE 14 2HG2 ILE 14 -0.912 -1.575 -7.385
82 HG23 ILE 14 3HG2 ILE 14 -1.771 -2.621 -6.254
83 HD11 ILE 14 3HD1 ILE 14 -5.232 -3.385 -5.642
84 HD12 ILE 14 1HD1 ILE 14 -3.479 -3.306 -5.466
85 HD13 ILE 14 2HD1 ILE 14 -4.450 -1.843 -5.296
86 H CYS 15 H CYS 15 -1.172 0.322 -5.502
87 HA CYS 15 HA CYS 15 -0.135 2.445 -7.146
88 HB2 CYS 15 1HB CYS 15 -0.018 2.477 -4.656
89 HB3 CYS 15 2HB CYS 15 1.114 1.129 -4.725
90 H ALA 16 H ALA 16 0.169 1.118 -9.080
91 HA ALA 16 HA ALA 16 1.626 -1.067 -9.551
92 HB1 ALA 16 3HB ALA 16 2.241 1.404 -11.139
93 HB2 ALA 16 1HB ALA 16 2.132 -0.268 -11.691
94 HB3 ALA 16 2HB ALA 16 0.671 0.607 -11.230
95 H GLU 17 H GLU 17 3.077 2.129 -8.957
96 HA GLU 17 HA GLU 17 5.697 1.781 -9.288
97 HB2 GLU 17 1HB GLU 17 4.273 3.030 -6.951
98 HB3 GLU 17 2HB GLU 17 6.026 3.059 -7.074
99 HG2 GLU 17 1HG GLU 17 4.388 4.013 -9.371
100 HG3 GLU 17 2HG GLU 17 4.593 5.049 -7.959
101 H CYS 18 H CYS 18 4.131 0.823 -6.226
102 HA CYS 18 HA CYS 18 6.336 -1.077 -5.795
103 HB2 CYS 18 1HB CYS 18 5.622 -1.030 -3.402
104 HB3 CYS 18 2HB CYS 18 6.170 0.531 -4.006
105 H GLY 19 H GLY 19 2.813 -0.740 -5.409
106 HA2 GLY 19 1HA GLY 19 1.515 -2.600 -6.460
107 HA3 GLY 19 2HA GLY 19 2.623 -3.681 -5.629
108 H LYS 20 H LYS 20 1.302 -0.751 -4.221
109 HA LYS 20 HA LYS 20 0.104 -2.360 -2.104
110 HB2 LYS 20 1HB LYS 20 1.590 -0.177 -1.876
111 HB3 LYS 20 2HB LYS 20 0.039 0.625 -2.085
112 HG2 LYS 20 1HG LYS 20 -0.856 -0.478 -0.151
113 HG3 LYS 20 2HG LYS 20 0.603 -1.458 0.014
114 HD2 LYS 20 1HD LYS 20 1.902 0.632 0.357
115 HD3 LYS 20 2HD LYS 20 0.385 1.535 0.329
116 HE2 LYS 20 1HE LYS 20 0.597 1.243 2.578
117 HE3 LYS 20 2HE LYS 20 -0.276 -0.237 2.182
118 HZ1 LYS 20 3HZ LYS 20 2.322 0.066 3.279
119 HZ2 LYS 20 1HZ LYS 20 2.393 -0.830 1.845
120 HZ3 LYS 20 2HZ LYS 20 1.391 -1.336 3.110
121 H ALA 21 H ALA 21 -2.042 -1.677 -1.249
122 HA ALA 21 HA ALA 21 -3.845 -0.927 -3.459
123 HB1 ALA 21 3HB ALA 21 -4.026 -3.070 -1.413
124 HB2 ALA 21 1HB ALA 21 -5.520 -2.278 -1.914
125 HB3 ALA 21 2HB ALA 21 -4.502 -3.080 -3.111
126 H PHE 22 H PHE 22 -5.376 0.606 -3.099
127 HA PHE 22 HA PHE 22 -5.666 1.663 -0.375
128 HB2 PHE 22 1HB PHE 22 -4.967 3.205 -2.864
129 HB3 PHE 22 2HB PHE 22 -5.743 3.983 -1.489
130 HD1 PHE 22 HD1 PHE 22 -4.572 4.138 0.670
131 HD2 PHE 22 HD2 PHE 22 -2.669 2.597 -2.812
132 HE1 PHE 22 HE1 PHE 22 -2.377 4.439 1.740
133 HE2 PHE 22 HE2 PHE 22 -0.472 2.895 -1.747
134 HZ PHE 22 HZ PHE 22 -0.324 3.816 0.532
135 H THR 23 H THR 23 -7.701 2.202 0.190
136 HA THR 23 HA THR 23 -9.839 1.461 -1.582
137 HB THR 23 HB THR 23 -11.285 2.297 0.368
138 HG1 THR 23 HG1 THR 23 -9.551 3.581 1.297
139 HG21 THR 23 3HG2 THR 23 -9.796 0.278 1.713
140 HG22 THR 23 1HG2 THR 23 -9.785 -0.085 -0.012
141 HG23 THR 23 2HG2 THR 23 -11.318 0.121 0.836
142 H ILE 24 H ILE 24 -8.568 4.468 -0.238
143 HA ILE 24 HA ILE 24 -10.568 6.006 -1.721
144 HB ILE 24 HB ILE 24 -8.497 6.945 0.268
145 HG12 ILE 24 1HG1 ILE 24 -11.484 6.835 0.657
146 HG13 ILE 24 2HG1 ILE 24 -10.443 5.480 1.080
147 HG21 ILE 24 1HG2 ILE 24 -10.665 8.762 -0.100
148 HG22 ILE 24 2HG2 ILE 24 -8.943 9.020 -0.374
149 HG23 ILE 24 3HG2 ILE 24 -9.956 8.387 -1.670
150 HD11 ILE 24 3HD1 ILE 24 -11.033 7.831 2.572
151 HD12 ILE 24 1HD1 ILE 24 -10.092 6.418 3.047
152 HD13 ILE 24 2HD1 ILE 24 -9.302 7.773 2.240
153 H ARG 25 H ARG 25 -10.104 6.717 -3.685
154 HA ARG 25 HA ARG 25 -7.779 6.386 -5.077
155 HB2 ARG 25 1HB ARG 25 -9.826 7.031 -6.186
156 HB3 ARG 25 2HB ARG 25 -9.826 8.588 -5.368
157 HG2 ARG 25 1HG ARG 25 -7.835 9.256 -6.576
158 HG3 ARG 25 2HG ARG 25 -7.756 7.673 -7.353
159 HD2 ARG 25 1HD ARG 25 -8.738 9.302 -8.858
160 HD3 ARG 25 2HD ARG 25 -9.936 8.091 -8.399
161 HE ARG 25 HE ARG 25 -10.026 10.395 -6.716
162 HH11 ARG 25 1HH1 ARG 25 -11.021 9.126 -9.801
163 HH12 ARG 25 2HH1 ARG 25 -12.393 10.175 -9.937
164 HH21 ARG 25 1HH2 ARG 25 -11.829 11.782 -6.883
165 HH22 ARG 25 2HH2 ARG 25 -12.851 11.687 -8.277
166 H SER 26 H SER 26 -8.609 9.000 -2.891
167 HA SER 26 HA SER 26 -6.369 10.643 -3.572
168 HB2 SER 26 1HB SER 26 -8.488 10.678 -1.469
169 HB3 SER 26 2HB SER 26 -7.031 11.633 -1.196
170 HG SER 26 HG SER 26 -8.704 12.795 -2.293
171 H ASN 27 H ASN 27 -7.107 8.438 -0.887
172 HA ASN 27 HA ASN 27 -4.913 8.764 0.706
173 HB2 ASN 27 1HB ASN 27 -6.592 6.385 0.027
174 HB3 ASN 27 2HB ASN 27 -5.145 6.148 1.001
175 HD21 ASN 27 1HD2 ASN 27 -6.679 5.446 2.626
176 HD22 ASN 27 2HD2 ASN 27 -7.449 6.627 3.625
177 H LEU 28 H LEU 28 -5.069 7.218 -2.418
178 HA LEU 28 HA LEU 28 -2.453 6.034 -2.234
179 HB2 LEU 28 1HB LEU 28 -3.980 4.905 -3.624
180 HB3 LEU 28 2HB LEU 28 -4.438 6.389 -4.458
181 HG LEU 28 HG LEU 28 -2.110 6.428 -5.427
182 HD11 LEU 28 1HD1 LEU 28 -0.729 4.540 -5.322
183 HD12 LEU 28 2HD1 LEU 28 -2.000 3.539 -4.620
184 HD13 LEU 28 3HD1 LEU 28 -1.247 4.811 -3.657
185 HD21 LEU 28 3HD2 LEU 28 -2.630 4.779 -7.143
186 HD22 LEU 28 1HD2 LEU 28 -4.068 5.699 -6.700
187 HD23 LEU 28 2HD2 LEU 28 -3.851 4.056 -6.095
188 H ILE 29 H ILE 29 -3.820 9.026 -3.386
189 HA ILE 29 HA ILE 29 -1.706 9.892 -5.021
190 HB ILE 29 HB ILE 29 -3.619 11.557 -3.379
191 HG12 ILE 29 1HG1 ILE 29 -4.650 9.982 -5.039
192 HG13 ILE 29 2HG1 ILE 29 -4.975 11.682 -5.361
193 HG21 ILE 29 1HG2 ILE 29 -2.934 13.438 -4.515
194 HG22 ILE 29 2HG2 ILE 29 -1.409 12.575 -4.324
195 HG23 ILE 29 3HG2 ILE 29 -2.269 12.515 -5.862
196 HD11 ILE 29 3HD1 ILE 29 -3.541 11.727 -7.193
197 HD12 ILE 29 1HD1 ILE 29 -2.720 10.245 -6.706
198 HD13 ILE 29 2HD1 ILE 29 -4.369 10.176 -7.328
199 H LYS 30 H LYS 30 -2.333 10.388 -1.563
200 HA LYS 30 HA LYS 30 -0.059 12.001 -1.082
201 HB2 LYS 30 1HB LYS 30 -0.481 11.558 1.286
202 HB3 LYS 30 2HB LYS 30 -1.977 11.941 0.444
203 HG2 LYS 30 1HG LYS 30 -2.778 9.786 0.603
204 HG3 LYS 30 2HG LYS 30 -1.168 9.091 0.805
205 HD2 LYS 30 1HD LYS 30 -1.984 8.936 2.950
206 HD3 LYS 30 2HD LYS 30 -1.170 10.501 3.014
207 HE2 LYS 30 1HE LYS 30 -3.190 11.041 3.953
208 HE3 LYS 30 2HE LYS 30 -3.520 11.395 2.258
209 HZ1 LYS 30 3HZ LYS 30 -4.833 9.580 3.942
210 HZ2 LYS 30 1HZ LYS 30 -4.094 8.699 2.701
211 HZ3 LYS 30 2HZ LYS 30 -5.173 9.947 2.326
212 H HIS 31 H HIS 31 -0.545 8.564 -1.280
213 HA HIS 31 HA HIS 31 1.749 7.704 0.105
214 HB2 HIS 31 1HB HIS 31 0.027 6.114 -0.407
215 HB3 HIS 31 2HB HIS 31 0.171 6.429 -2.133
216 HD1 HIS 31 HD1 HIS 31 2.019 4.770 0.705
217 HD2 HIS 31 HD2 HIS 31 2.074 4.936 -3.446
218 HE1 HIS 31 HE1 HIS 31 3.627 2.977 -0.018
219 H GLN 32 H GLN 32 1.216 8.372 -3.344
220 HA GLN 32 HA GLN 32 3.588 7.632 -4.444
221 HB2 GLN 32 1HB GLN 32 1.887 10.055 -4.994
222 HB3 GLN 32 2HB GLN 32 3.306 9.676 -5.962
223 HG2 GLN 32 1HG GLN 32 2.347 7.799 -6.883
224 HG3 GLN 32 2HG GLN 32 1.206 7.601 -5.553
225 HE21 GLN 32 1HE2 GLN 32 0.307 7.416 -8.094
226 HE22 GLN 32 2HE2 GLN 32 -0.655 8.794 -8.495
227 H LYS 33 H LYS 33 3.083 10.134 -2.139
228 HA LYS 33 HA LYS 33 5.176 11.872 -2.569
229 HB2 LYS 33 1HB LYS 33 3.985 10.836 -0.000
230 HB3 LYS 33 2HB LYS 33 5.216 12.092 -0.027
231 HG2 LYS 33 1HG LYS 33 2.605 12.310 -1.501
232 HG3 LYS 33 2HG LYS 33 2.850 12.897 0.145
233 HD2 LYS 33 1HD LYS 33 4.904 14.125 -0.937
234 HD3 LYS 33 2HD LYS 33 3.979 13.909 -2.425
235 HE2 LYS 33 1HE LYS 33 2.291 15.302 -1.737
236 HE3 LYS 33 2HE LYS 33 2.590 14.997 -0.027
237 HZ1 LYS 33 3HZ LYS 33 3.350 17.213 -1.371
238 HZ2 LYS 33 1HZ LYS 33 4.776 16.301 -1.367
239 HZ3 LYS 33 2HZ LYS 33 4.017 16.690 0.093
240 H ILE 34 H ILE 34 5.257 8.830 -0.723
241 HA ILE 34 HA ILE 34 7.981 8.935 -0.048
242 HB ILE 34 HB ILE 34 7.822 6.584 0.472
243 HG12 ILE 34 1HG1 ILE 34 5.038 6.392 -0.587
244 HG13 ILE 34 2HG1 ILE 34 6.371 6.247 -1.726
245 HG21 ILE 34 1HG2 ILE 34 5.863 6.608 1.964
246 HG22 ILE 34 2HG2 ILE 34 6.787 8.107 2.042
247 HG23 ILE 34 3HG2 ILE 34 5.274 8.050 1.139
248 HD11 ILE 34 3HD1 ILE 34 6.528 4.113 -1.186
249 HD12 ILE 34 1HD1 ILE 34 7.009 4.589 0.442
250 HD13 ILE 34 2HD1 ILE 34 5.308 4.303 0.072
251 H HIS 35 H HIS 35 6.391 8.161 -3.000
252 HA HIS 35 HA HIS 35 8.651 6.726 -4.111
253 HB2 HIS 35 1HB HIS 35 5.977 7.570 -5.215
254 HB3 HIS 35 2HB HIS 35 7.225 6.860 -6.234
255 HD1 HIS 35 HD1 HIS 35 7.843 4.352 -5.763
256 HD2 HIS 35 HD2 HIS 35 4.586 5.789 -3.620
257 HE1 HIS 35 HE1 HIS 35 6.687 2.314 -4.850
258 H THR 36 H THR 36 7.281 9.939 -4.180
259 HA THR 36 HA THR 36 9.154 10.799 -6.248
260 HB THR 36 HB THR 36 7.990 13.016 -6.011
261 HG1 THR 36 HG1 THR 36 6.042 11.600 -4.514
262 HG21 THR 36 3HG2 THR 36 6.798 12.244 -7.726
263 HG22 THR 36 1HG2 THR 36 5.660 11.509 -6.598
264 HG23 THR 36 2HG2 THR 36 7.050 10.589 -7.174
265 H LYS 37 H LYS 37 10.551 12.622 -5.926
266 HA LYS 37 HA LYS 37 11.391 12.939 -3.118
267 HB2 LYS 37 1HB LYS 37 13.662 13.387 -4.010
268 HB3 LYS 37 2HB LYS 37 13.084 11.769 -4.385
269 HG2 LYS 37 1HG LYS 37 12.326 12.838 -6.625
270 HG3 LYS 37 2HG LYS 37 13.479 14.105 -6.201
271 HD2 LYS 37 1HD LYS 37 15.293 12.614 -6.232
272 HD3 LYS 37 2HD LYS 37 14.240 11.199 -6.170
273 HE2 LYS 37 1HE LYS 37 15.066 11.361 -8.393
274 HE3 LYS 37 2HE LYS 37 13.377 11.864 -8.430
275 HZ1 LYS 37 3HZ LYS 37 15.298 13.994 -8.014
276 HZ2 LYS 37 1HZ LYS 37 13.922 13.951 -8.998
277 HZ3 LYS 37 2HZ LYS 37 15.366 13.253 -9.533
278 H GLN 38 H GLN 38 12.805 15.037 -2.919
279 HA GLN 38 HA GLN 38 11.107 17.218 -3.857
280 HB2 GLN 38 1HB GLN 38 13.194 16.993 -1.700
281 HB3 GLN 38 2HB GLN 38 12.572 18.553 -2.220
282 HG2 GLN 38 1HG GLN 38 10.458 18.139 -1.386
283 HG3 GLN 38 2HG GLN 38 10.688 16.391 -1.392
284 HE21 GLN 38 1HE2 GLN 38 10.897 15.539 0.537
285 HE22 GLN 38 2HE2 GLN 38 11.569 16.307 1.931
286 H LYS 39 H LYS 39 14.548 16.337 -3.758
287 HA LYS 39 HA LYS 39 15.323 18.555 -5.410
288 HB2 LYS 39 1HB LYS 39 17.538 17.739 -5.213
289 HB3 LYS 39 2HB LYS 39 16.775 17.432 -3.658
290 HG2 LYS 39 1HG LYS 39 16.441 15.103 -4.258
291 HG3 LYS 39 2HG LYS 39 17.145 15.398 -5.849
292 HD2 LYS 39 1HD LYS 39 18.721 16.103 -3.418
293 HD3 LYS 39 2HD LYS 39 18.594 14.407 -3.892
294 HE2 LYS 39 1HE LYS 39 20.461 14.998 -5.066
295 HE3 LYS 39 2HE LYS 39 19.224 15.386 -6.260
296 HZ1 LYS 39 3HZ LYS 39 19.943 17.464 -6.264
297 HZ2 LYS 39 1HZ LYS 39 21.113 17.098 -5.098
298 HZ3 LYS 39 2HZ LYS 39 19.577 17.621 -4.620
299 HA PRO 40 HA PRO 40 14.599 16.756 -9.362
300 HB2 PRO 40 1HB PRO 40 16.385 18.187 -10.823
301 HB3 PRO 40 2HB PRO 40 14.876 18.874 -10.210
302 HG2 PRO 40 1HG PRO 40 17.647 19.097 -9.102
303 HG3 PRO 40 2HG PRO 40 16.406 20.352 -9.271
304 HD2 PRO 40 1HD PRO 40 16.905 19.105 -6.920
305 HD3 PRO 40 2HD PRO 40 15.287 19.679 -7.372
306 H SER 41 H SER 41 15.919 15.874 -11.276
307 HA SER 41 HA SER 41 17.999 14.130 -10.172
308 HB2 SER 41 1HB SER 41 16.133 12.990 -11.254
309 HB3 SER 41 2HB SER 41 16.394 13.916 -12.732
310 HG SER 41 HG SER 41 18.676 12.895 -12.383
311 H GLY 42 H GLY 42 17.364 16.264 -12.936
312 HA2 GLY 42 1HA GLY 42 20.177 16.091 -13.728
313 HA3 GLY 42 2HA GLY 42 18.884 16.838 -14.654
314 HA PRO 43 HA PRO 43 21.372 20.258 -12.825
315 HB2 PRO 43 1HB PRO 43 21.262 21.818 -15.045
316 HB3 PRO 43 2HB PRO 43 22.479 20.557 -14.816
317 HG2 PRO 43 1HG PRO 43 19.936 20.471 -16.394
318 HG3 PRO 43 2HG PRO 43 21.542 19.856 -16.826
319 HD2 PRO 43 1HD PRO 43 19.566 18.249 -15.907
320 HD3 PRO 43 2HD PRO 43 21.282 17.937 -15.577
321 H SER 44 H SER 44 18.214 19.818 -13.956
322 HA SER 44 HA SER 44 17.176 22.421 -13.901
323 HB2 SER 44 1HB SER 44 16.111 20.099 -14.601
324 HB3 SER 44 2HB SER 44 15.502 20.137 -12.946
325 HG SER 44 HG SER 44 14.345 21.924 -13.396
326 H SER 45 H SER 45 15.498 23.130 -12.232
327 HA SER 45 HA SER 45 16.764 22.968 -9.596
328 HB2 SER 45 1HB SER 45 16.507 25.222 -10.294
329 HB3 SER 45 2HB SER 45 14.854 24.945 -10.840
330 HG SER 45 HG SER 45 15.843 25.177 -8.214
331 H GLY 46 H GLY 46 13.519 22.856 -11.062
332 HA2 GLY 46 1HA GLY 46 11.796 21.373 -10.511
333 HA3 GLY 46 2HA GLY 46 12.727 20.845 -9.117
Start of MODEL 5
1 H1 GLY 1 H GLY 1 7.026 -13.329 -6.572
2 HA2 GLY 1 1HA GLY 1 5.479 -12.190 -8.602
3 HA3 GLY 1 2HA GLY 1 6.869 -12.948 -9.364
4 H SER 2 H SER 2 3.987 -13.502 -7.447
5 HA SER 2 HA SER 2 4.039 -16.311 -8.320
6 HB2 SER 2 1HB SER 2 3.333 -15.258 -5.575
7 HB3 SER 2 2HB SER 2 2.938 -16.888 -6.120
8 HG SER 2 HG SER 2 4.870 -17.345 -5.437
9 H SER 3 H SER 3 1.776 -17.320 -7.947
10 HA SER 3 HA SER 3 -0.230 -15.380 -8.894
11 HB2 SER 3 1HB SER 3 -1.320 -17.364 -9.989
12 HB3 SER 3 2HB SER 3 0.269 -16.961 -10.639
13 HG SER 3 HG SER 3 -0.084 -18.889 -8.601
14 H GLY 4 H GLY 4 -2.525 -16.065 -8.429
15 HA2 GLY 4 1HA GLY 4 -3.724 -17.694 -6.833
16 HA3 GLY 4 2HA GLY 4 -2.662 -16.975 -5.632
17 H SER 5 H SER 5 -5.408 -16.912 -5.344
18 HA SER 5 HA SER 5 -6.317 -14.283 -6.198
19 HB2 SER 5 1HB SER 5 -7.770 -16.404 -6.162
20 HB3 SER 5 2HB SER 5 -7.833 -16.182 -4.414
21 HG SER 5 HG SER 5 -9.508 -15.153 -5.921
22 H SER 6 H SER 6 -6.040 -12.523 -5.015
23 HA SER 6 HA SER 6 -5.125 -12.759 -2.267
24 HB2 SER 6 1HB SER 6 -5.190 -10.576 -4.307
25 HB3 SER 6 2HB SER 6 -5.103 -10.131 -2.603
26 HG SER 6 HG SER 6 -3.182 -11.182 -2.422
27 H GLY 7 H GLY 7 -7.711 -13.626 -2.459
28 HA2 GLY 7 1HA GLY 7 -9.645 -13.387 -1.214
29 HA3 GLY 7 2HA GLY 7 -9.031 -11.848 -0.629
30 H THR 8 H THR 8 -11.459 -13.225 -2.333
31 HA THR 8 HA THR 8 -11.881 -11.726 -4.600
32 HB THR 8 HB THR 8 -13.347 -13.583 -3.904
33 HG1 THR 8 HG1 THR 8 -14.323 -11.081 -4.679
34 HG21 THR 8 3HG2 THR 8 -14.989 -13.361 -2.209
35 HG22 THR 8 1HG2 THR 8 -14.677 -11.635 -2.030
36 HG23 THR 8 2HG2 THR 8 -13.475 -12.809 -1.493
37 H GLY 9 H GLY 9 -12.679 -9.724 -5.082
38 HA2 GLY 9 1HA GLY 9 -13.689 -7.646 -4.654
39 HA3 GLY 9 2HA GLY 9 -13.645 -8.004 -2.934
40 H GLU 10 H GLU 10 -11.349 -7.510 -5.621
41 HA GLU 10 HA GLU 10 -9.330 -6.488 -3.861
42 HB2 GLU 10 1HB GLU 10 -7.975 -6.249 -5.791
43 HB3 GLU 10 2HB GLU 10 -8.914 -7.715 -6.035
44 HG2 GLU 10 1HG GLU 10 -9.872 -5.109 -7.136
45 HG3 GLU 10 2HG GLU 10 -8.636 -6.040 -7.980
46 H LYS 11 H LYS 11 -8.403 -4.347 -3.998
47 HA LYS 11 HA LYS 11 -10.400 -2.310 -3.926
48 HB2 LYS 11 1HB LYS 11 -7.461 -2.447 -3.457
49 HB3 LYS 11 2HB LYS 11 -8.168 -0.868 -3.772
50 HG2 LYS 11 1HG LYS 11 -8.087 -1.165 -1.419
51 HG3 LYS 11 2HG LYS 11 -9.777 -1.305 -1.912
52 HD2 LYS 11 1HD LYS 11 -9.539 -3.088 -0.455
53 HD3 LYS 11 2HD LYS 11 -9.262 -3.850 -2.023
54 HE2 LYS 11 1HE LYS 11 -6.988 -4.054 -1.667
55 HE3 LYS 11 2HE LYS 11 -6.952 -2.752 -0.479
56 HZ1 LYS 11 3HZ LYS 11 -6.741 -5.173 0.317
57 HZ2 LYS 11 1HZ LYS 11 -8.417 -5.244 0.093
58 HZ3 LYS 11 2HZ LYS 11 -7.755 -4.125 1.175
59 HA PRO 12 HA PRO 12 -10.296 -0.946 -8.111
60 HB2 PRO 12 1HB PRO 12 -11.170 1.600 -7.756
61 HB3 PRO 12 2HB PRO 12 -12.233 0.193 -7.630
62 HG2 PRO 12 1HG PRO 12 -10.918 1.774 -5.455
63 HG3 PRO 12 2HG PRO 12 -12.575 1.148 -5.537
64 HD2 PRO 12 1HD PRO 12 -10.623 -0.079 -4.118
65 HD3 PRO 12 2HD PRO 12 -11.938 -0.975 -4.905
66 H TYR 13 H TYR 13 -8.239 0.206 -5.707
67 HA TYR 13 HA TYR 13 -6.632 1.638 -7.713
68 HB2 TYR 13 1HB TYR 13 -6.742 2.479 -4.821
69 HB3 TYR 13 2HB TYR 13 -6.069 3.361 -6.188
70 HD1 TYR 13 HD2 TYR 13 -7.784 4.019 -8.057
71 HD2 TYR 13 HD1 TYR 13 -8.865 3.018 -4.065
72 HE1 TYR 13 HE2 TYR 13 -9.914 5.214 -8.340
73 HE2 TYR 13 HE1 TYR 13 -10.999 4.210 -4.338
74 HH TYR 13 HH TYR 13 -11.912 6.047 -5.771
75 H ILE 14 H ILE 14 -4.551 1.046 -7.816
76 HA ILE 14 HA ILE 14 -3.318 -0.330 -5.553
77 HB ILE 14 HB ILE 14 -3.468 -1.506 -8.329
78 HG12 ILE 14 1HG1 ILE 14 -4.306 -3.485 -6.810
79 HG13 ILE 14 2HG1 ILE 14 -4.679 -2.190 -5.678
80 HG21 ILE 14 1HG2 ILE 14 -2.221 -3.199 -6.371
81 HG22 ILE 14 2HG2 ILE 14 -1.611 -2.658 -7.934
82 HG23 ILE 14 3HG2 ILE 14 -1.358 -1.666 -6.498
83 HD11 ILE 14 3HD1 ILE 14 -6.463 -1.539 -6.842
84 HD12 ILE 14 1HD1 ILE 14 -5.628 -1.687 -8.389
85 HD13 ILE 14 2HD1 ILE 14 -6.338 -3.112 -7.629
86 H CYS 15 H CYS 15 -1.611 0.923 -5.168
87 HA CYS 15 HA CYS 15 -0.347 2.626 -6.968
88 HB2 CYS 15 1HB CYS 15 -0.137 2.733 -4.487
89 HB3 CYS 15 2HB CYS 15 0.909 1.318 -4.547
90 H ALA 16 H ALA 16 0.656 2.089 -8.785
91 HA ALA 16 HA ALA 16 1.767 -0.507 -9.236
92 HB1 ALA 16 3HB ALA 16 1.343 0.118 -11.322
93 HB2 ALA 16 1HB ALA 16 1.082 1.787 -10.812
94 HB3 ALA 16 2HB ALA 16 2.705 1.234 -11.227
95 H GLU 17 H GLU 17 3.080 2.692 -8.533
96 HA GLU 17 HA GLU 17 5.714 2.492 -9.056
97 HB2 GLU 17 1HB GLU 17 4.340 3.601 -6.620
98 HB3 GLU 17 2HB GLU 17 6.082 3.721 -6.824
99 HG2 GLU 17 1HG GLU 17 4.226 4.686 -8.959
100 HG3 GLU 17 2HG GLU 17 4.598 5.689 -7.558
101 H CYS 18 H CYS 18 4.206 1.209 -6.094
102 HA CYS 18 HA CYS 18 6.571 -0.511 -5.739
103 HB2 CYS 18 1HB CYS 18 5.924 -0.630 -3.353
104 HB3 CYS 18 2HB CYS 18 6.257 1.018 -3.875
105 H GLY 19 H GLY 19 3.031 -0.429 -5.466
106 HA2 GLY 19 1HA GLY 19 1.829 -2.291 -6.541
107 HA3 GLY 19 2HA GLY 19 3.048 -3.358 -5.860
108 H LYS 20 H LYS 20 1.167 -0.705 -4.419
109 HA LYS 20 HA LYS 20 0.203 -2.628 -2.404
110 HB2 LYS 20 1HB LYS 20 1.779 -0.603 -1.798
111 HB3 LYS 20 2HB LYS 20 0.281 0.315 -1.877
112 HG2 LYS 20 1HG LYS 20 -0.710 -1.146 -0.191
113 HG3 LYS 20 2HG LYS 20 0.789 -2.074 -0.114
114 HD2 LYS 20 1HD LYS 20 1.136 -0.659 1.643
115 HD3 LYS 20 2HD LYS 20 1.818 0.324 0.345
116 HE2 LYS 20 1HE LYS 20 -0.458 1.385 0.117
117 HE3 LYS 20 2HE LYS 20 -0.906 0.556 1.607
118 HZ1 LYS 20 3HZ LYS 20 0.936 2.795 1.207
119 HZ2 LYS 20 1HZ LYS 20 1.284 1.699 2.449
120 HZ3 LYS 20 2HZ LYS 20 -0.189 2.530 2.442
121 H ALA 21 H ALA 21 -1.933 -2.291 -1.557
122 HA ALA 21 HA ALA 21 -3.746 -1.208 -3.584
123 HB1 ALA 21 3HB ALA 21 -5.123 -2.520 -1.448
124 HB2 ALA 21 1HB ALA 21 -5.005 -2.981 -3.147
125 HB3 ALA 21 2HB ALA 21 -3.786 -3.531 -1.997
126 H PHE 22 H PHE 22 -5.448 0.201 -3.057
127 HA PHE 22 HA PHE 22 -5.378 1.443 -0.407
128 HB2 PHE 22 1HB PHE 22 -5.293 3.021 -2.987
129 HB3 PHE 22 2HB PHE 22 -5.369 3.692 -1.361
130 HD1 PHE 22 HD2 PHE 22 -3.264 1.311 -3.321
131 HD2 PHE 22 HD1 PHE 22 -3.410 4.455 -0.455
132 HE1 PHE 22 HE2 PHE 22 -0.806 1.329 -3.219
133 HE2 PHE 22 HE1 PHE 22 -0.952 4.478 -0.349
134 HZ PHE 22 HZ PHE 22 0.353 2.913 -1.731
135 H THR 23 H THR 23 -7.284 2.736 0.065
136 HA THR 23 HA THR 23 -9.643 1.665 -1.310
137 HB THR 23 HB THR 23 -10.907 2.454 0.682
138 HG1 THR 23 HG1 THR 23 -8.470 2.818 2.039
139 HG21 THR 23 3HG2 THR 23 -8.561 0.677 1.361
140 HG22 THR 23 1HG2 THR 23 -10.029 0.147 0.540
141 HG23 THR 23 2HG2 THR 23 -10.110 0.736 2.201
142 H ILE 24 H ILE 24 -8.488 4.738 0.082
143 HA ILE 24 HA ILE 24 -10.465 6.223 -1.435
144 HB ILE 24 HB ILE 24 -8.256 7.374 0.261
145 HG12 ILE 24 1HG1 ILE 24 -11.058 6.802 1.214
146 HG13 ILE 24 2HG1 ILE 24 -9.747 5.648 1.434
147 HG21 ILE 24 1HG2 ILE 24 -10.698 8.413 -1.055
148 HG22 ILE 24 2HG2 ILE 24 -10.292 9.068 0.531
149 HG23 ILE 24 3HG2 ILE 24 -9.134 9.184 -0.794
150 HD11 ILE 24 3HD1 ILE 24 -10.398 7.419 3.281
151 HD12 ILE 24 1HD1 ILE 24 -8.732 6.900 3.027
152 HD13 ILE 24 2HD1 ILE 24 -9.295 8.427 2.346
153 H ARG 25 H ARG 25 -10.125 6.982 -3.409
154 HA ARG 25 HA ARG 25 -7.953 6.570 -4.992
155 HB2 ARG 25 1HB ARG 25 -10.070 7.390 -5.869
156 HB3 ARG 25 2HB ARG 25 -9.830 8.938 -5.071
157 HG2 ARG 25 1HG ARG 25 -8.173 9.592 -6.554
158 HG3 ARG 25 2HG ARG 25 -7.844 7.936 -7.067
159 HD2 ARG 25 1HD ARG 25 -9.011 8.790 -8.872
160 HD3 ARG 25 2HD ARG 25 -10.281 7.991 -7.946
161 HE ARG 25 HE ARG 25 -11.209 10.047 -7.482
162 HH11 ARG 25 1HH1 ARG 25 -8.065 10.460 -8.919
163 HH12 ARG 25 2HH1 ARG 25 -8.255 12.165 -9.160
164 HH21 ARG 25 1HH2 ARG 25 -11.471 12.291 -7.794
165 HH22 ARG 25 2HH2 ARG 25 -10.193 13.206 -8.519
166 H SER 26 H SER 26 -8.448 9.222 -2.736
167 HA SER 26 HA SER 26 -6.160 10.716 -3.555
168 HB2 SER 26 1HB SER 26 -8.243 11.517 -2.228
169 HB3 SER 26 2HB SER 26 -7.385 10.905 -0.814
170 HG SER 26 HG SER 26 -6.375 12.738 -0.850
171 H ASN 27 H ASN 27 -6.806 8.760 -0.641
172 HA ASN 27 HA ASN 27 -4.465 8.840 0.672
173 HB2 ASN 27 1HB ASN 27 -6.338 6.561 0.154
174 HB3 ASN 27 2HB ASN 27 -4.844 6.262 1.036
175 HD21 ASN 27 1HD2 ASN 27 -5.987 5.747 2.905
176 HD22 ASN 27 2HD2 ASN 27 -6.746 6.959 3.875
177 H LEU 28 H LEU 28 -5.030 7.177 -2.364
178 HA LEU 28 HA LEU 28 -2.508 5.834 -2.418
179 HB2 LEU 28 1HB LEU 28 -4.220 4.857 -3.695
180 HB3 LEU 28 2HB LEU 28 -4.627 6.387 -4.470
181 HG LEU 28 HG LEU 28 -2.468 6.281 -5.694
182 HD11 LEU 28 1HD1 LEU 28 -1.676 3.715 -5.696
183 HD12 LEU 28 2HD1 LEU 28 -2.175 3.877 -4.013
184 HD13 LEU 28 3HD1 LEU 28 -0.951 4.958 -4.677
185 HD21 LEU 28 3HD2 LEU 28 -4.690 5.398 -6.553
186 HD22 LEU 28 1HD2 LEU 28 -4.082 3.789 -6.161
187 HD23 LEU 28 2HD2 LEU 28 -3.236 4.787 -7.343
188 H ILE 29 H ILE 29 -3.797 8.738 -4.013
189 HA ILE 29 HA ILE 29 -1.530 9.410 -5.492
190 HB ILE 29 HB ILE 29 -3.540 11.294 -4.252
191 HG12 ILE 29 1HG1 ILE 29 -3.507 10.228 -7.074
192 HG13 ILE 29 2HG1 ILE 29 -4.398 9.435 -5.779
193 HG21 ILE 29 1HG2 ILE 29 -1.179 12.007 -5.344
194 HG22 ILE 29 2HG2 ILE 29 -2.200 11.982 -6.780
195 HG23 ILE 29 3HG2 ILE 29 -2.633 13.002 -5.408
196 HD11 ILE 29 3HD1 ILE 29 -5.158 12.109 -5.648
197 HD12 ILE 29 1HD1 ILE 29 -5.115 11.718 -7.367
198 HD13 ILE 29 2HD1 ILE 29 -6.102 10.755 -6.268
199 H LYS 30 H LYS 30 -2.492 10.497 -2.241
200 HA LYS 30 HA LYS 30 -0.198 12.079 -1.783
201 HB2 LYS 30 1HB LYS 30 -0.879 12.024 0.582
202 HB3 LYS 30 2HB LYS 30 -2.236 12.375 -0.482
203 HG2 LYS 30 1HG LYS 30 -3.124 10.198 -0.221
204 HG3 LYS 30 2HG LYS 30 -1.652 9.619 0.563
205 HD2 LYS 30 1HD LYS 30 -3.119 9.942 2.343
206 HD3 LYS 30 2HD LYS 30 -2.153 11.419 2.340
207 HE2 LYS 30 1HE LYS 30 -4.666 11.368 0.750
208 HE3 LYS 30 2HE LYS 30 -4.791 11.481 2.505
209 HZ1 LYS 30 3HZ LYS 30 -3.089 13.370 2.229
210 HZ2 LYS 30 1HZ LYS 30 -4.707 13.675 1.843
211 HZ3 LYS 30 2HZ LYS 30 -3.584 13.388 0.612
212 H HIS 31 H HIS 31 -0.829 8.676 -1.466
213 HA HIS 31 HA HIS 31 1.292 8.017 0.281
214 HB2 HIS 31 1HB HIS 31 -0.248 6.303 0.099
215 HB3 HIS 31 2HB HIS 31 -0.418 6.499 -1.643
216 HD1 HIS 31 HD1 HIS 31 1.477 4.647 0.930
217 HD2 HIS 31 HD2 HIS 31 1.641 5.248 -3.178
218 HE1 HIS 31 HE1 HIS 31 3.030 2.874 0.052
219 H GLN 32 H GLN 32 1.050 7.962 -3.267
220 HA GLN 32 HA GLN 32 3.461 6.946 -3.989
221 HB2 GLN 32 1HB GLN 32 1.779 9.125 -5.153
222 HB3 GLN 32 2HB GLN 32 3.363 8.810 -5.849
223 HG2 GLN 32 1HG GLN 32 2.593 6.367 -5.987
224 HG3 GLN 32 2HG GLN 32 0.973 7.014 -5.732
225 HE21 GLN 32 1HE2 GLN 32 0.831 5.896 -7.908
226 HE22 GLN 32 2HE2 GLN 32 1.128 6.880 -9.297
227 H LYS 33 H LYS 33 2.900 9.891 -2.302
228 HA LYS 33 HA LYS 33 5.107 11.429 -2.909
229 HB2 LYS 33 1HB LYS 33 3.652 11.018 -0.301
230 HB3 LYS 33 2HB LYS 33 4.950 12.191 -0.476
231 HG2 LYS 33 1HG LYS 33 3.669 13.301 -2.264
232 HG3 LYS 33 2HG LYS 33 2.352 12.157 -1.997
233 HD2 LYS 33 1HD LYS 33 1.679 13.965 -0.726
234 HD3 LYS 33 2HD LYS 33 2.510 12.970 0.472
235 HE2 LYS 33 1HE LYS 33 4.506 14.320 0.256
236 HE3 LYS 33 2HE LYS 33 3.763 15.263 -1.035
237 HZ1 LYS 33 3HZ LYS 33 3.384 16.611 0.747
238 HZ2 LYS 33 1HZ LYS 33 3.253 15.334 1.850
239 HZ3 LYS 33 2HZ LYS 33 1.970 15.683 0.804
240 H ILE 34 H ILE 34 4.883 8.676 -0.703
241 HA ILE 34 HA ILE 34 7.397 8.828 0.473
242 HB ILE 34 HB ILE 34 7.202 6.482 0.978
243 HG12 ILE 34 1HG1 ILE 34 4.748 6.186 -0.701
244 HG13 ILE 34 2HG1 ILE 34 6.320 6.060 -1.482
245 HG21 ILE 34 1HG2 ILE 34 5.579 6.868 2.451
246 HG22 ILE 34 2HG2 ILE 34 5.311 8.401 1.621
247 HG23 ILE 34 3HG2 ILE 34 4.358 6.983 1.184
248 HD11 ILE 34 3HD1 ILE 34 6.664 4.019 -0.677
249 HD12 ILE 34 1HD1 ILE 34 6.138 4.474 0.944
250 HD13 ILE 34 2HD1 ILE 34 4.947 4.020 -0.275
251 H HIS 35 H HIS 35 6.528 8.032 -2.752
252 HA HIS 35 HA HIS 35 8.990 6.627 -3.340
253 HB2 HIS 35 1HB HIS 35 6.787 7.603 -5.170
254 HB3 HIS 35 2HB HIS 35 8.137 6.583 -5.660
255 HD1 HIS 35 HD1 HIS 35 8.053 4.627 -3.217
256 HD2 HIS 35 HD2 HIS 35 4.767 5.777 -5.486
257 HE1 HIS 35 HE1 HIS 35 6.353 2.799 -2.914
258 H THR 36 H THR 36 7.596 9.818 -3.865
259 HA THR 36 HA THR 36 9.458 10.866 -5.645
260 HB THR 36 HB THR 36 8.802 13.072 -4.873
261 HG1 THR 36 HG1 THR 36 7.280 13.086 -3.010
262 HG21 THR 36 3HG2 THR 36 6.972 12.669 -6.085
263 HG22 THR 36 1HG2 THR 36 6.153 12.241 -4.583
264 HG23 THR 36 2HG2 THR 36 6.921 10.987 -5.557
265 H LYS 37 H LYS 37 9.665 10.364 -2.191
266 HA LYS 37 HA LYS 37 12.319 11.632 -2.161
267 HB2 LYS 37 1HB LYS 37 10.370 12.230 -0.501
268 HB3 LYS 37 2HB LYS 37 10.894 10.769 0.326
269 HG2 LYS 37 1HG LYS 37 12.021 12.535 1.379
270 HG3 LYS 37 2HG LYS 37 13.219 11.768 0.334
271 HD2 LYS 37 1HD LYS 37 12.674 13.514 -1.393
272 HD3 LYS 37 2HD LYS 37 11.712 14.331 -0.160
273 HE2 LYS 37 1HE LYS 37 14.576 13.606 0.342
274 HE3 LYS 37 2HE LYS 37 14.155 15.078 -0.531
275 HZ1 LYS 37 3HZ LYS 37 14.390 15.635 1.746
276 HZ2 LYS 37 1HZ LYS 37 13.400 14.356 2.244
277 HZ3 LYS 37 2HZ LYS 37 12.732 15.667 1.411
278 H GLN 38 H GLN 38 13.932 10.248 -2.457
279 HA GLN 38 HA GLN 38 13.828 7.498 -2.378
280 HB2 GLN 38 1HB GLN 38 16.133 9.390 -1.953
281 HB3 GLN 38 2HB GLN 38 16.352 7.646 -2.008
282 HG2 GLN 38 1HG GLN 38 16.750 8.961 -4.151
283 HG3 GLN 38 2HG GLN 38 15.747 7.515 -4.250
284 HE21 GLN 38 1HE2 GLN 38 13.831 7.695 -5.182
285 HE22 GLN 38 2HE2 GLN 38 13.013 9.176 -5.529
286 H LYS 39 H LYS 39 14.139 5.926 -0.869
287 HA LYS 39 HA LYS 39 14.493 6.810 1.920
288 HB2 LYS 39 1HB LYS 39 13.100 4.562 2.293
289 HB3 LYS 39 2HB LYS 39 12.325 6.126 2.079
290 HG2 LYS 39 1HG LYS 39 11.146 4.681 0.679
291 HG3 LYS 39 2HG LYS 39 12.232 5.557 -0.402
292 HD2 LYS 39 1HD LYS 39 12.395 3.314 -1.076
293 HD3 LYS 39 2HD LYS 39 13.838 3.594 -0.098
294 HE2 LYS 39 1HE LYS 39 12.502 2.672 1.857
295 HE3 LYS 39 2HE LYS 39 11.320 2.135 0.664
296 HZ1 LYS 39 3HZ LYS 39 12.691 0.307 0.948
297 HZ2 LYS 39 1HZ LYS 39 14.105 1.233 1.034
298 HZ3 LYS 39 2HZ LYS 39 13.320 1.023 -0.449
299 HA PRO 40 HA PRO 40 17.710 3.635 0.657
300 HB2 PRO 40 1HB PRO 40 19.866 5.145 1.321
301 HB3 PRO 40 2HB PRO 40 19.114 5.194 -0.279
302 HG2 PRO 40 1HG PRO 40 18.781 7.072 2.029
303 HG3 PRO 40 2HG PRO 40 18.972 7.441 0.305
304 HD2 PRO 40 1HD PRO 40 16.564 7.469 1.544
305 HD3 PRO 40 2HD PRO 40 16.756 7.010 -0.161
306 H SER 41 H SER 41 18.356 2.174 2.119
307 HA SER 41 HA SER 41 19.438 2.774 4.649
308 HB2 SER 41 1HB SER 41 17.666 2.150 6.140
309 HB3 SER 41 2HB SER 41 17.019 3.379 5.053
310 HG SER 41 HG SER 41 16.013 1.743 3.873
311 H GLY 42 H GLY 42 20.890 1.188 4.678
312 HA2 GLY 42 1HA GLY 42 21.639 -0.990 4.992
313 HA3 GLY 42 2HA GLY 42 19.999 -1.562 4.727
314 HA PRO 43 HA PRO 43 22.231 -0.992 0.435
315 HB2 PRO 43 1HB PRO 43 24.935 -1.200 0.573
316 HB3 PRO 43 2HB PRO 43 24.084 0.347 0.666
317 HG2 PRO 43 1HG PRO 43 25.191 -1.343 2.875
318 HG3 PRO 43 2HG PRO 43 25.272 0.415 2.664
319 HD2 PRO 43 1HD PRO 43 23.495 -0.771 4.327
320 HD3 PRO 43 2HD PRO 43 23.134 0.736 3.463
321 H SER 44 H SER 44 22.244 -2.797 -0.768
322 HA SER 44 HA SER 44 22.489 -5.350 0.482
323 HB2 SER 44 1HB SER 44 20.948 -4.743 -1.458
324 HB3 SER 44 2HB SER 44 22.373 -4.842 -2.492
325 HG SER 44 HG SER 44 21.784 -6.874 -2.574
326 H SER 45 H SER 45 23.804 -7.101 -0.753
327 HA SER 45 HA SER 45 26.484 -6.751 -0.246
328 HB2 SER 45 1HB SER 45 26.876 -8.761 -1.596
329 HB3 SER 45 2HB SER 45 25.432 -8.952 -0.603
330 HG SER 45 HG SER 45 25.071 -9.638 -2.749
331 H GLY 46 H GLY 46 24.806 -6.375 -3.356
332 HA2 GLY 46 1HA GLY 46 27.230 -5.530 -4.689
333 HA3 GLY 46 2HA GLY 46 25.621 -5.607 -5.393
Start of MODEL 6
1 H1 GLY 1 H GLY 1 1.892 -14.015 3.389
2 HA2 GLY 1 1HA GLY 1 0.267 -13.021 1.545
3 HA3 GLY 1 2HA GLY 1 -0.418 -14.631 1.716
4 H SER 2 H SER 2 -2.381 -13.882 2.511
5 HA SER 2 HA SER 2 -3.884 -13.074 4.028
6 HB2 SER 2 1HB SER 2 -2.979 -15.073 5.209
7 HB3 SER 2 2HB SER 2 -1.807 -14.029 6.013
8 HG SER 2 HG SER 2 -3.555 -14.264 7.369
9 H SER 3 H SER 3 -2.260 -11.070 3.006
10 HA SER 3 HA SER 3 -0.813 -9.405 4.516
11 HB2 SER 3 1HB SER 3 -2.995 -8.837 2.546
12 HB3 SER 3 2HB SER 3 -2.261 -7.493 3.420
13 HG SER 3 HG SER 3 -0.205 -8.333 2.662
14 H GLY 4 H GLY 4 -4.363 -9.590 4.675
15 HA2 GLY 4 1HA GLY 4 -5.235 -9.572 7.026
16 HA3 GLY 4 2HA GLY 4 -4.214 -8.160 7.257
17 H SER 5 H SER 5 -7.227 -9.341 6.116
18 HA SER 5 HA SER 5 -8.046 -6.582 5.503
19 HB2 SER 5 1HB SER 5 -9.596 -7.539 3.774
20 HB3 SER 5 2HB SER 5 -7.886 -7.708 3.378
21 HG SER 5 HG SER 5 -9.432 -9.737 4.618
22 H SER 6 H SER 6 -8.976 -6.285 7.516
23 HA SER 6 HA SER 6 -11.163 -8.105 8.252
24 HB2 SER 6 1HB SER 6 -9.580 -6.114 9.886
25 HB3 SER 6 2HB SER 6 -11.011 -6.947 10.494
26 HG SER 6 HG SER 6 -9.921 -8.921 10.133
27 H GLY 7 H GLY 7 -12.738 -7.276 6.854
28 HA2 GLY 7 1HA GLY 7 -14.719 -5.786 7.437
29 HA3 GLY 7 2HA GLY 7 -13.543 -4.482 7.358
30 H THR 8 H THR 8 -16.022 -5.501 5.740
31 HA THR 8 HA THR 8 -15.274 -6.133 3.149
32 HB THR 8 HB THR 8 -17.611 -4.393 3.961
33 HG1 THR 8 HG1 THR 8 -18.721 -6.456 3.907
34 HG21 THR 8 3HG2 THR 8 -17.933 -6.188 1.686
35 HG22 THR 8 1HG2 THR 8 -16.695 -4.961 1.422
36 HG23 THR 8 2HG2 THR 8 -18.338 -4.479 1.843
37 H GLY 9 H GLY 9 -13.750 -5.084 2.026
38 HA2 GLY 9 1HA GLY 9 -14.185 -2.254 1.449
39 HA3 GLY 9 2HA GLY 9 -12.647 -2.684 2.183
40 H GLU 10 H GLU 10 -13.580 -1.664 -0.563
41 HA GLU 10 HA GLU 10 -12.339 -3.747 -2.222
42 HB2 GLU 10 1HB GLU 10 -14.550 -3.038 -2.963
43 HB3 GLU 10 2HB GLU 10 -14.022 -1.362 -3.006
44 HG2 GLU 10 1HG GLU 10 -14.022 -2.128 -5.233
45 HG3 GLU 10 2HG GLU 10 -12.334 -2.041 -4.733
46 H LYS 11 H LYS 11 -10.773 -3.135 -3.818
47 HA LYS 11 HA LYS 11 -9.353 -0.629 -3.201
48 HB2 LYS 11 1HB LYS 11 -7.232 -1.905 -3.728
49 HB3 LYS 11 2HB LYS 11 -8.025 -2.333 -2.218
50 HG2 LYS 11 1HG LYS 11 -8.690 -3.905 -4.649
51 HG3 LYS 11 2HG LYS 11 -7.125 -4.167 -3.876
52 HD2 LYS 11 1HD LYS 11 -8.280 -4.588 -1.739
53 HD3 LYS 11 2HD LYS 11 -9.831 -4.384 -2.557
54 HE2 LYS 11 1HE LYS 11 -8.813 -6.231 -4.157
55 HE3 LYS 11 2HE LYS 11 -7.866 -6.611 -2.719
56 HZ1 LYS 11 3HZ LYS 11 -10.476 -6.306 -1.866
57 HZ2 LYS 11 1HZ LYS 11 -9.604 -7.750 -1.994
58 HZ3 LYS 11 2HZ LYS 11 -10.569 -7.228 -3.281
59 HA PRO 12 HA PRO 12 -10.374 -0.806 -7.716
60 HB2 PRO 12 1HB PRO 12 -11.129 1.797 -7.877
61 HB3 PRO 12 2HB PRO 12 -12.236 0.503 -7.402
62 HG2 PRO 12 1HG PRO 12 -10.743 2.444 -5.681
63 HG3 PRO 12 2HG PRO 12 -12.425 1.897 -5.551
64 HD2 PRO 12 1HD PRO 12 -10.445 0.905 -3.992
65 HD3 PRO 12 2HD PRO 12 -11.835 -0.072 -4.507
66 H TYR 13 H TYR 13 -8.157 0.757 -5.709
67 HA TYR 13 HA TYR 13 -6.611 1.648 -8.050
68 HB2 TYR 13 1HB TYR 13 -6.589 3.066 -5.384
69 HB3 TYR 13 2HB TYR 13 -5.848 3.597 -6.890
70 HD1 TYR 13 HD2 TYR 13 -7.840 3.440 -8.890
71 HD2 TYR 13 HD1 TYR 13 -8.332 4.444 -4.785
72 HE1 TYR 13 HE2 TYR 13 -9.875 4.703 -9.449
73 HE2 TYR 13 HE1 TYR 13 -10.369 5.710 -5.333
74 HH TYR 13 HH TYR 13 -11.457 6.077 -8.688
75 H ILE 14 H ILE 14 -4.416 1.273 -7.993
76 HA ILE 14 HA ILE 14 -3.276 0.038 -5.599
77 HB ILE 14 HB ILE 14 -3.139 -1.234 -8.336
78 HG12 ILE 14 1HG1 ILE 14 -4.242 -2.540 -5.873
79 HG13 ILE 14 2HG1 ILE 14 -5.257 -1.446 -6.807
80 HG21 ILE 14 1HG2 ILE 14 -1.563 -2.690 -7.572
81 HG22 ILE 14 2HG2 ILE 14 -1.132 -1.279 -6.606
82 HG23 ILE 14 3HG2 ILE 14 -2.102 -2.570 -5.898
83 HD11 ILE 14 3HD1 ILE 14 -5.575 -2.946 -8.423
84 HD12 ILE 14 1HD1 ILE 14 -3.885 -3.449 -8.424
85 HD13 ILE 14 2HD1 ILE 14 -5.004 -4.119 -7.237
86 H CYS 15 H CYS 15 -1.250 0.689 -5.211
87 HA CYS 15 HA CYS 15 -0.032 2.611 -6.962
88 HB2 CYS 15 1HB CYS 15 0.025 2.672 -4.426
89 HB3 CYS 15 2HB CYS 15 1.198 1.361 -4.505
90 H ALA 16 H ALA 16 0.267 1.247 -8.832
91 HA ALA 16 HA ALA 16 1.626 -1.097 -9.069
92 HB1 ALA 16 3HB ALA 16 1.032 -0.513 -11.146
93 HB2 ALA 16 1HB ALA 16 1.177 1.211 -10.804
94 HB3 ALA 16 2HB ALA 16 2.610 0.271 -11.219
95 H GLU 17 H GLU 17 3.014 2.105 -8.567
96 HA GLU 17 HA GLU 17 5.652 1.773 -9.077
97 HB2 GLU 17 1HB GLU 17 4.201 3.240 -6.919
98 HB3 GLU 17 2HB GLU 17 5.954 3.139 -6.830
99 HG2 GLU 17 1HG GLU 17 4.517 4.114 -9.277
100 HG3 GLU 17 2HG GLU 17 4.983 5.183 -7.955
101 H CYS 18 H CYS 18 4.154 0.953 -5.943
102 HA CYS 18 HA CYS 18 6.442 -0.812 -5.399
103 HB2 CYS 18 1HB CYS 18 5.556 -0.729 -3.017
104 HB3 CYS 18 2HB CYS 18 6.218 0.775 -3.649
105 H GLY 19 H GLY 19 2.896 -0.669 -5.125
106 HA2 GLY 19 1HA GLY 19 1.703 -2.621 -6.088
107 HA3 GLY 19 2HA GLY 19 2.885 -3.622 -5.259
108 H LYS 20 H LYS 20 0.858 -0.860 -4.275
109 HA LYS 20 HA LYS 20 -0.116 -2.517 -2.040
110 HB2 LYS 20 1HB LYS 20 0.732 0.344 -2.168
111 HB3 LYS 20 2HB LYS 20 -0.541 -0.105 -1.041
112 HG2 LYS 20 1HG LYS 20 0.871 -1.473 0.203
113 HG3 LYS 20 2HG LYS 20 2.060 -1.586 -1.097
114 HD2 LYS 20 1HD LYS 20 3.123 -0.081 0.251
115 HD3 LYS 20 2HD LYS 20 2.168 1.036 -0.727
116 HE2 LYS 20 1HE LYS 20 0.395 0.896 1.061
117 HE3 LYS 20 2HE LYS 20 1.571 0.030 2.049
118 HZ1 LYS 20 3HZ LYS 20 2.964 2.195 1.279
119 HZ2 LYS 20 1HZ LYS 20 2.125 2.067 2.743
120 HZ3 LYS 20 2HZ LYS 20 1.407 2.842 1.422
121 H ALA 21 H ALA 21 -2.292 -2.410 -1.496
122 HA ALA 21 HA ALA 21 -4.021 -1.373 -3.623
123 HB1 ALA 21 3HB ALA 21 -5.128 -3.040 -1.437
124 HB2 ALA 21 1HB ALA 21 -5.492 -3.042 -3.163
125 HB3 ALA 21 2HB ALA 21 -4.021 -3.814 -2.570
126 H PHE 22 H PHE 22 -5.087 0.462 -3.331
127 HA PHE 22 HA PHE 22 -5.678 1.322 -0.575
128 HB2 PHE 22 1HB PHE 22 -4.935 2.991 -2.982
129 HB3 PHE 22 2HB PHE 22 -5.559 3.668 -1.482
130 HD1 PHE 22 HD1 PHE 22 -4.229 3.547 0.580
131 HD2 PHE 22 HD2 PHE 22 -2.685 2.237 -3.163
132 HE1 PHE 22 HE1 PHE 22 -1.948 3.611 1.502
133 HE2 PHE 22 HE2 PHE 22 -0.403 2.297 -2.247
134 HZ PHE 22 HZ PHE 22 -0.032 2.984 0.088
135 H THR 23 H THR 23 -7.698 2.101 -0.126
136 HA THR 23 HA THR 23 -9.767 1.448 -2.049
137 HB THR 23 HB THR 23 -10.188 0.751 0.209
138 HG1 THR 23 HG1 THR 23 -12.077 1.392 -0.748
139 HG21 THR 23 3HG2 THR 23 -10.429 2.409 2.042
140 HG22 THR 23 1HG2 THR 23 -9.810 3.652 0.956
141 HG23 THR 23 2HG2 THR 23 -8.782 2.297 1.422
142 H ILE 24 H ILE 24 -8.583 4.312 -0.330
143 HA ILE 24 HA ILE 24 -10.406 6.015 -1.847
144 HB ILE 24 HB ILE 24 -8.516 6.606 0.427
145 HG12 ILE 24 1HG1 ILE 24 -10.610 5.481 1.038
146 HG13 ILE 24 2HG1 ILE 24 -10.588 7.136 1.637
147 HG21 ILE 24 1HG2 ILE 24 -8.568 8.473 -1.194
148 HG22 ILE 24 2HG2 ILE 24 -10.318 8.555 -1.001
149 HG23 ILE 24 3HG2 ILE 24 -9.263 8.898 0.369
150 HD11 ILE 24 3HD1 ILE 24 -12.509 7.523 0.625
151 HD12 ILE 24 1HD1 ILE 24 -11.774 7.154 -0.935
152 HD13 ILE 24 2HD1 ILE 24 -12.523 5.869 0.014
153 H ARG 25 H ARG 25 -9.811 7.006 -3.652
154 HA ARG 25 HA ARG 25 -7.483 6.660 -5.020
155 HB2 ARG 25 1HB ARG 25 -8.094 8.505 -6.401
156 HB3 ARG 25 2HB ARG 25 -9.588 7.749 -5.864
157 HG2 ARG 25 1HG ARG 25 -9.753 9.493 -4.093
158 HG3 ARG 25 2HG ARG 25 -8.358 10.290 -4.824
159 HD2 ARG 25 1HD ARG 25 -10.846 9.632 -6.379
160 HD3 ARG 25 2HD ARG 25 -10.656 11.146 -5.496
161 HE ARG 25 HE ARG 25 -8.447 11.123 -6.997
162 HH11 ARG 25 1HH1 ARG 25 -11.777 10.501 -7.799
163 HH12 ARG 25 2HH1 ARG 25 -11.628 11.072 -9.428
164 HH21 ARG 25 1HH2 ARG 25 -8.238 11.879 -9.139
165 HH22 ARG 25 2HH2 ARG 25 -9.614 11.855 -10.189
166 H SER 26 H SER 26 -8.214 9.366 -2.831
167 HA SER 26 HA SER 26 -5.802 10.741 -3.118
168 HB2 SER 26 1HB SER 26 -7.944 11.496 -1.926
169 HB3 SER 26 2HB SER 26 -7.339 10.612 -0.526
170 HG SER 26 HG SER 26 -6.585 13.033 -1.501
171 H ASN 27 H ASN 27 -6.734 8.289 -0.716
172 HA ASN 27 HA ASN 27 -4.500 8.208 0.853
173 HB2 ASN 27 1HB ASN 27 -6.430 6.113 -0.048
174 HB3 ASN 27 2HB ASN 27 -4.996 5.607 0.839
175 HD21 ASN 27 1HD2 ASN 27 -6.685 4.878 2.355
176 HD22 ASN 27 2HD2 ASN 27 -7.252 6.000 3.540
177 H LEU 28 H LEU 28 -4.789 7.239 -2.453
178 HA LEU 28 HA LEU 28 -2.323 5.725 -2.462
179 HB2 LEU 28 1HB LEU 28 -4.137 5.041 -3.915
180 HB3 LEU 28 2HB LEU 28 -4.136 6.620 -4.697
181 HG LEU 28 HG LEU 28 -1.657 5.960 -5.291
182 HD11 LEU 28 1HD1 LEU 28 -1.482 3.543 -5.749
183 HD12 LEU 28 2HD1 LEU 28 -2.997 3.291 -4.883
184 HD13 LEU 28 3HD1 LEU 28 -1.584 3.906 -4.026
185 HD21 LEU 28 3HD2 LEU 28 -4.247 5.406 -6.582
186 HD22 LEU 28 1HD2 LEU 28 -2.856 4.555 -7.254
187 HD23 LEU 28 2HD2 LEU 28 -2.854 6.317 -7.167
188 H ILE 29 H ILE 29 -3.473 8.874 -3.585
189 HA ILE 29 HA ILE 29 -1.083 9.650 -4.881
190 HB ILE 29 HB ILE 29 -3.201 11.415 -3.647
191 HG12 ILE 29 1HG1 ILE 29 -2.970 10.734 -6.563
192 HG13 ILE 29 2HG1 ILE 29 -3.831 9.661 -5.465
193 HG21 ILE 29 1HG2 ILE 29 -0.988 12.484 -4.156
194 HG22 ILE 29 2HG2 ILE 29 -1.263 12.084 -5.851
195 HG23 ILE 29 3HG2 ILE 29 -2.366 13.175 -5.013
196 HD11 ILE 29 3HD1 ILE 29 -5.069 11.874 -4.794
197 HD12 ILE 29 1HD1 ILE 29 -4.534 12.392 -6.392
198 HD13 ILE 29 2HD1 ILE 29 -5.544 10.956 -6.224
199 H LYS 30 H LYS 30 -2.341 10.314 -1.624
200 HA LYS 30 HA LYS 30 -0.276 11.951 -0.721
201 HB2 LYS 30 1HB LYS 30 -1.139 11.654 1.421
202 HB3 LYS 30 2HB LYS 30 -2.529 11.329 0.394
203 HG2 LYS 30 1HG LYS 30 -2.196 8.942 0.650
204 HG3 LYS 30 2HG LYS 30 -0.746 9.230 1.615
205 HD2 LYS 30 1HD LYS 30 -3.438 10.318 2.398
206 HD3 LYS 30 2HD LYS 30 -2.896 8.709 2.880
207 HE2 LYS 30 1HE LYS 30 -1.225 9.537 4.242
208 HE3 LYS 30 2HE LYS 30 -1.134 11.069 3.374
209 HZ1 LYS 30 3HZ LYS 30 -2.161 11.534 5.418
210 HZ2 LYS 30 1HZ LYS 30 -3.193 10.197 5.315
211 HZ3 LYS 30 2HZ LYS 30 -3.421 11.522 4.289
212 H HIS 31 H HIS 31 -0.383 8.518 -1.192
213 HA HIS 31 HA HIS 31 2.087 8.108 0.307
214 HB2 HIS 31 1HB HIS 31 0.731 6.303 0.754
215 HB3 HIS 31 2HB HIS 31 -0.010 6.327 -0.844
216 HD1 HIS 31 HD1 HIS 31 2.741 4.804 1.093
217 HD2 HIS 31 HD2 HIS 31 1.525 5.027 -2.874
218 HE1 HIS 31 HE1 HIS 31 4.045 3.022 -0.111
219 H GLN 32 H GLN 32 0.869 8.129 -2.984
220 HA GLN 32 HA GLN 32 3.032 6.984 -4.309
221 HB2 GLN 32 1HB GLN 32 0.875 8.890 -5.059
222 HB3 GLN 32 2HB GLN 32 2.245 8.748 -6.152
223 HG2 GLN 32 1HG GLN 32 1.830 6.230 -6.055
224 HG3 GLN 32 2HG GLN 32 0.273 6.645 -5.340
225 HE21 GLN 32 1HE2 GLN 32 -1.078 8.158 -6.590
226 HE22 GLN 32 2HE2 GLN 32 -1.055 8.041 -8.313
227 H LYS 33 H LYS 33 2.679 10.120 -2.866
228 HA LYS 33 HA LYS 33 4.886 11.338 -4.226
229 HB2 LYS 33 1HB LYS 33 4.542 13.203 -2.798
230 HB3 LYS 33 2HB LYS 33 2.945 12.563 -3.160
231 HG2 LYS 33 1HG LYS 33 2.590 11.853 -1.025
232 HG3 LYS 33 2HG LYS 33 4.307 11.595 -0.706
233 HD2 LYS 33 1HD LYS 33 3.685 13.464 0.596
234 HD3 LYS 33 2HD LYS 33 4.557 14.117 -0.792
235 HE2 LYS 33 1HE LYS 33 2.577 14.858 -1.820
236 HE3 LYS 33 2HE LYS 33 1.564 13.869 -0.769
237 HZ1 LYS 33 3HZ LYS 33 3.092 15.626 0.807
238 HZ2 LYS 33 1HZ LYS 33 1.410 15.551 0.638
239 HZ3 LYS 33 2HZ LYS 33 2.323 16.521 -0.405
240 H ILE 34 H ILE 34 4.642 9.059 -1.758
241 HA ILE 34 HA ILE 34 6.897 9.798 -0.185
242 HB ILE 34 HB ILE 34 6.669 7.746 0.924
243 HG12 ILE 34 1HG1 ILE 34 5.010 6.014 -0.280
244 HG13 ILE 34 2HG1 ILE 34 5.673 6.795 -1.711
245 HG21 ILE 34 1HG2 ILE 34 3.952 7.464 0.648
246 HG22 ILE 34 2HG2 ILE 34 4.766 8.607 1.715
247 HG23 ILE 34 3HG2 ILE 34 4.232 9.121 0.115
248 HD11 ILE 34 3HD1 ILE 34 7.854 6.097 -1.207
249 HD12 ILE 34 1HD1 ILE 34 7.420 5.660 0.445
250 HD13 ILE 34 2HD1 ILE 34 6.827 4.695 -0.908
251 H HIS 35 H HIS 35 6.556 8.379 -3.264
252 HA HIS 35 HA HIS 35 9.077 6.965 -3.224
253 HB2 HIS 35 1HB HIS 35 7.129 7.570 -5.454
254 HB3 HIS 35 2HB HIS 35 8.601 6.627 -5.665
255 HD1 HIS 35 HD1 HIS 35 8.624 4.610 -3.569
256 HD2 HIS 35 HD2 HIS 35 5.045 5.881 -5.253
257 HE1 HIS 35 HE1 HIS 35 6.976 2.765 -3.118
258 H THR 36 H THR 36 7.874 10.088 -4.179
259 HA THR 36 HA THR 36 9.589 11.071 -5.999
260 HB THR 36 HB THR 36 7.835 12.379 -4.736
261 HG1 THR 36 HG1 THR 36 8.746 14.082 -5.612
262 HG21 THR 36 3HG2 THR 36 8.111 12.992 -2.601
263 HG22 THR 36 1HG2 THR 36 9.772 13.511 -2.882
264 HG23 THR 36 2HG2 THR 36 9.423 11.815 -2.544
265 H LYS 37 H LYS 37 11.639 12.059 -6.032
266 HA LYS 37 HA LYS 37 13.613 10.744 -4.462
267 HB2 LYS 37 1HB LYS 37 15.207 12.232 -5.649
268 HB3 LYS 37 2HB LYS 37 14.118 11.380 -6.736
269 HG2 LYS 37 1HG LYS 37 12.697 13.464 -6.751
270 HG3 LYS 37 2HG LYS 37 14.031 14.271 -5.923
271 HD2 LYS 37 1HD LYS 37 14.337 14.734 -8.214
272 HD3 LYS 37 2HD LYS 37 15.504 13.467 -7.831
273 HE2 LYS 37 1HE LYS 37 13.945 11.789 -8.726
274 HE3 LYS 37 2HE LYS 37 12.814 13.076 -9.141
275 HZ1 LYS 37 3HZ LYS 37 13.860 13.014 -11.104
276 HZ2 LYS 37 1HZ LYS 37 15.232 12.240 -10.485
277 HZ3 LYS 37 2HZ LYS 37 15.065 13.916 -10.331
278 H GLN 38 H GLN 38 13.746 11.189 -2.346
279 HA GLN 38 HA GLN 38 14.248 13.970 -1.578
280 HB2 GLN 38 1HB GLN 38 11.821 13.213 -1.140
281 HB3 GLN 38 2HB GLN 38 12.509 12.214 0.133
282 HG2 GLN 38 1HG GLN 38 13.182 14.049 1.385
283 HG3 GLN 38 2HG GLN 38 13.093 15.143 0.006
284 HE21 GLN 38 1HE2 GLN 38 11.932 16.217 1.972
285 HE22 GLN 38 2HE2 GLN 38 10.214 16.037 1.976
286 H LYS 39 H LYS 39 16.132 14.068 -0.572
287 HA LYS 39 HA LYS 39 18.106 13.260 0.328
288 HB2 LYS 39 1HB LYS 39 17.807 12.742 2.720
289 HB3 LYS 39 2HB LYS 39 16.882 14.155 2.229
290 HG2 LYS 39 1HG LYS 39 14.856 13.056 2.414
291 HG3 LYS 39 2HG LYS 39 15.595 11.459 2.281
292 HD2 LYS 39 1HD LYS 39 16.376 11.509 4.485
293 HD3 LYS 39 2HD LYS 39 16.189 13.260 4.606
294 HE2 LYS 39 1HE LYS 39 13.877 13.117 4.846
295 HE3 LYS 39 2HE LYS 39 13.811 11.491 4.169
296 HZ1 LYS 39 3HZ LYS 39 13.476 11.354 6.511
297 HZ2 LYS 39 1HZ LYS 39 14.861 12.270 6.833
298 HZ3 LYS 39 2HZ LYS 39 15.007 10.718 6.177
299 HA PRO 40 HA PRO 40 17.062 8.734 -0.586
300 HB2 PRO 40 1HB PRO 40 18.348 8.571 -2.971
301 HB3 PRO 40 2HB PRO 40 16.648 9.032 -2.826
302 HG2 PRO 40 1HG PRO 40 19.059 10.772 -3.174
303 HG3 PRO 40 2HG PRO 40 17.474 10.884 -3.962
304 HD2 PRO 40 1HD PRO 40 18.178 12.460 -1.876
305 HD3 PRO 40 2HD PRO 40 16.506 11.930 -2.150
306 H SER 41 H SER 41 18.842 7.075 -1.376
307 HA SER 41 HA SER 41 21.326 7.783 0.041
308 HB2 SER 41 1HB SER 41 19.928 5.123 -0.283
309 HB3 SER 41 2HB SER 41 21.565 5.283 0.354
310 HG SER 41 HG SER 41 19.909 5.227 1.985
311 H GLY 42 H GLY 42 23.256 6.452 -0.706
312 HA2 GLY 42 1HA GLY 42 23.236 6.349 -3.659
313 HA3 GLY 42 2HA GLY 42 24.622 6.861 -2.707
314 HA PRO 43 HA PRO 43 26.179 2.766 -3.023
315 HB2 PRO 43 1HB PRO 43 27.868 2.772 -0.898
316 HB3 PRO 43 2HB PRO 43 28.207 3.646 -2.397
317 HG2 PRO 43 1HG PRO 43 27.109 4.677 0.189
318 HG3 PRO 43 2HG PRO 43 28.335 5.395 -0.871
319 HD2 PRO 43 1HD PRO 43 25.756 6.221 -0.859
320 HD3 PRO 43 2HD PRO 43 26.762 6.250 -2.322
321 H SER 44 H SER 44 25.467 0.823 -2.389
322 HA SER 44 HA SER 44 24.830 0.254 0.363
323 HB2 SER 44 1HB SER 44 22.493 -0.313 0.012
324 HB3 SER 44 2HB SER 44 22.757 1.367 -0.452
325 HG SER 44 HG SER 44 21.648 -0.444 -1.912
326 H SER 45 H SER 45 24.060 -2.039 0.611
327 HA SER 45 HA SER 45 25.821 -3.822 -0.535
328 HB2 SER 45 1HB SER 45 24.474 -4.262 1.510
329 HB3 SER 45 2HB SER 45 23.052 -4.489 0.492
330 HG SER 45 HG SER 45 24.759 -6.316 1.175
331 H GLY 46 H GLY 46 26.055 -4.075 -2.674
332 HA2 GLY 46 1HA GLY 46 25.561 -4.545 -4.867
333 HA3 GLY 46 2HA GLY 46 24.291 -5.565 -4.209
Start of MODEL 7
1 H1 GLY 1 H GLY 1 12.560 -16.391 -6.822
2 HA2 GLY 1 1HA GLY 1 10.347 -16.987 -5.698
3 HA3 GLY 1 2HA GLY 1 10.217 -15.948 -7.110
4 H SER 2 H SER 2 8.362 -17.966 -5.927
5 HA SER 2 HA SER 2 7.380 -19.040 -8.350
6 HB2 SER 2 1HB SER 2 9.134 -20.669 -8.199
7 HB3 SER 2 2HB SER 2 8.800 -20.956 -6.492
8 HG SER 2 HG SER 2 6.887 -21.438 -8.520
9 H SER 3 H SER 3 5.252 -19.382 -8.144
10 HA SER 3 HA SER 3 3.204 -19.160 -7.117
11 HB2 SER 3 1HB SER 3 4.480 -21.512 -5.713
12 HB3 SER 3 2HB SER 3 2.776 -21.093 -5.537
13 HG SER 3 HG SER 3 3.755 -22.602 -7.367
14 H GLY 4 H GLY 4 4.904 -17.253 -6.074
15 HA2 GLY 4 1HA GLY 4 5.086 -17.304 -3.244
16 HA3 GLY 4 2HA GLY 4 5.227 -15.878 -4.261
17 H SER 5 H SER 5 3.621 -14.426 -4.247
18 HA SER 5 HA SER 5 1.364 -14.928 -2.494
19 HB2 SER 5 1HB SER 5 0.905 -12.537 -2.732
20 HB3 SER 5 2HB SER 5 2.606 -12.795 -2.343
21 HG SER 5 HG SER 5 2.829 -12.743 -4.777
22 H SER 6 H SER 6 -0.481 -15.725 -3.224
23 HA SER 6 HA SER 6 -1.061 -15.872 -6.028
24 HB2 SER 6 1HB SER 6 -3.170 -16.973 -5.267
25 HB3 SER 6 2HB SER 6 -1.716 -17.716 -4.601
26 HG SER 6 HG SER 6 -2.139 -16.821 -2.650
27 H GLY 7 H GLY 7 -2.795 -14.392 -3.277
28 HA2 GLY 7 1HA GLY 7 -3.818 -12.368 -5.170
29 HA3 GLY 7 2HA GLY 7 -4.856 -13.106 -3.960
30 H THR 8 H THR 8 -4.314 -10.305 -4.291
31 HA THR 8 HA THR 8 -2.991 -9.757 -1.713
32 HB THR 8 HB THR 8 -1.614 -8.891 -3.531
33 HG1 THR 8 HG1 THR 8 -3.012 -7.003 -1.938
34 HG21 THR 8 3HG2 THR 8 -3.335 -8.623 -5.238
35 HG22 THR 8 1HG2 THR 8 -2.458 -7.111 -5.004
36 HG23 THR 8 2HG2 THR 8 -4.068 -7.312 -4.313
37 H GLY 9 H GLY 9 -5.525 -8.798 -3.987
38 HA2 GLY 9 1HA GLY 9 -7.539 -8.401 -2.184
39 HA3 GLY 9 2HA GLY 9 -6.680 -6.867 -2.201
40 H GLU 10 H GLU 10 -9.092 -6.473 -2.914
41 HA GLU 10 HA GLU 10 -9.064 -6.383 -5.856
42 HB2 GLU 10 1HB GLU 10 -11.452 -6.907 -4.077
43 HB3 GLU 10 2HB GLU 10 -11.533 -6.637 -5.812
44 HG2 GLU 10 1HG GLU 10 -9.875 -8.634 -5.931
45 HG3 GLU 10 2HG GLU 10 -10.476 -8.985 -4.311
46 H LYS 11 H LYS 11 -8.025 -4.329 -4.418
47 HA LYS 11 HA LYS 11 -10.016 -2.318 -3.883
48 HB2 LYS 11 1HB LYS 11 -7.051 -2.499 -3.726
49 HB3 LYS 11 2HB LYS 11 -7.754 -0.896 -3.889
50 HG2 LYS 11 1HG LYS 11 -7.321 -1.617 -1.544
51 HG3 LYS 11 2HG LYS 11 -8.990 -1.144 -1.872
52 HD2 LYS 11 1HD LYS 11 -9.741 -3.365 -1.847
53 HD3 LYS 11 2HD LYS 11 -8.108 -4.011 -2.029
54 HE2 LYS 11 1HE LYS 11 -7.760 -2.730 0.269
55 HE3 LYS 11 2HE LYS 11 -9.499 -2.990 0.390
56 HZ1 LYS 11 3HZ LYS 11 -8.367 -4.810 1.415
57 HZ2 LYS 11 1HZ LYS 11 -7.414 -5.073 0.043
58 HZ3 LYS 11 2HZ LYS 11 -9.077 -5.375 -0.013
59 HA PRO 12 HA PRO 12 -10.357 -0.637 -7.936
60 HB2 PRO 12 1HB PRO 12 -11.111 1.893 -7.303
61 HB3 PRO 12 2HB PRO 12 -12.191 0.502 -7.150
62 HG2 PRO 12 1HG PRO 12 -10.586 1.896 -5.042
63 HG3 PRO 12 2HG PRO 12 -12.258 1.310 -4.970
64 HD2 PRO 12 1HD PRO 12 -10.188 -0.056 -3.882
65 HD3 PRO 12 2HD PRO 12 -11.611 -0.866 -4.567
66 H TYR 13 H TYR 13 -8.282 0.817 -5.539
67 HA TYR 13 HA TYR 13 -6.683 2.010 -7.707
68 HB2 TYR 13 1HB TYR 13 -6.882 3.126 -4.908
69 HB3 TYR 13 2HB TYR 13 -6.112 3.868 -6.306
70 HD1 TYR 13 HD2 TYR 13 -7.539 4.705 -8.187
71 HD2 TYR 13 HD1 TYR 13 -9.200 3.402 -4.493
72 HE1 TYR 13 HE2 TYR 13 -9.630 5.885 -8.717
73 HE2 TYR 13 HE1 TYR 13 -11.296 4.578 -5.014
74 HH TYR 13 HH TYR 13 -11.609 6.909 -7.175
75 H ILE 14 H ILE 14 -4.801 1.015 -7.908
76 HA ILE 14 HA ILE 14 -3.475 -0.003 -5.482
77 HB ILE 14 HB ILE 14 -3.494 -1.301 -8.208
78 HG12 ILE 14 1HG1 ILE 14 -4.454 -2.557 -5.657
79 HG13 ILE 14 2HG1 ILE 14 -5.519 -1.493 -6.569
80 HG21 ILE 14 1HG2 ILE 14 -2.395 -3.029 -6.300
81 HG22 ILE 14 2HG2 ILE 14 -1.561 -2.226 -7.629
82 HG23 ILE 14 3HG2 ILE 14 -1.620 -1.466 -6.038
83 HD11 ILE 14 3HD1 ILE 14 -5.922 -3.044 -8.114
84 HD12 ILE 14 1HD1 ILE 14 -4.230 -3.531 -8.205
85 HD13 ILE 14 2HD1 ILE 14 -5.268 -4.181 -6.935
86 H CYS 15 H CYS 15 -1.376 0.515 -5.221
87 HA CYS 15 HA CYS 15 -0.224 2.462 -6.995
88 HB2 CYS 15 1HB CYS 15 0.031 2.592 -4.531
89 HB3 CYS 15 2HB CYS 15 0.990 1.116 -4.573
90 H ALA 16 H ALA 16 0.652 1.830 -8.854
91 HA ALA 16 HA ALA 16 1.643 -0.774 -9.356
92 HB1 ALA 16 3HB ALA 16 0.996 0.185 -11.312
93 HB2 ALA 16 1HB ALA 16 1.553 1.791 -10.839
94 HB3 ALA 16 2HB ALA 16 2.714 0.577 -11.379
95 H GLU 17 H GLU 17 3.149 2.220 -8.329
96 HA GLU 17 HA GLU 17 5.808 1.742 -8.860
97 HB2 GLU 17 1HB GLU 17 4.666 3.003 -6.361
98 HB3 GLU 17 2HB GLU 17 6.318 3.180 -6.934
99 HG2 GLU 17 1HG GLU 17 4.036 3.964 -8.690
100 HG3 GLU 17 2HG GLU 17 4.580 5.041 -7.405
101 H CYS 18 H CYS 18 4.090 0.873 -5.856
102 HA CYS 18 HA CYS 18 6.217 -1.080 -5.299
103 HB2 CYS 18 1HB CYS 18 5.379 -1.021 -2.958
104 HB3 CYS 18 2HB CYS 18 5.952 0.545 -3.525
105 H GLY 19 H GLY 19 2.689 -0.663 -5.246
106 HA2 GLY 19 1HA GLY 19 1.398 -2.470 -6.331
107 HA3 GLY 19 2HA GLY 19 2.453 -3.599 -5.494
108 H LYS 20 H LYS 20 1.456 -0.790 -3.774
109 HA LYS 20 HA LYS 20 0.096 -2.394 -1.822
110 HB2 LYS 20 1HB LYS 20 0.860 0.475 -2.085
111 HB3 LYS 20 2HB LYS 20 -0.425 0.066 -0.956
112 HG2 LYS 20 1HG LYS 20 0.991 -1.222 0.376
113 HG3 LYS 20 2HG LYS 20 2.214 -1.350 -0.890
114 HD2 LYS 20 1HD LYS 20 2.224 1.289 -0.625
115 HD3 LYS 20 2HD LYS 20 1.643 0.880 0.991
116 HE2 LYS 20 1HE LYS 20 4.088 -0.380 -0.227
117 HE3 LYS 20 2HE LYS 20 4.154 1.114 0.708
118 HZ1 LYS 20 3HZ LYS 20 4.360 -1.355 1.750
119 HZ2 LYS 20 1HZ LYS 20 2.717 -1.032 1.995
120 HZ3 LYS 20 2HZ LYS 20 3.888 0.016 2.621
121 H ALA 21 H ALA 21 -2.063 -2.511 -1.379
122 HA ALA 21 HA ALA 21 -3.853 -1.607 -3.495
123 HB1 ALA 21 3HB ALA 21 -3.882 -3.751 -1.488
124 HB2 ALA 21 1HB ALA 21 -5.446 -2.995 -1.799
125 HB3 ALA 21 2HB ALA 21 -4.534 -3.717 -3.126
126 H PHE 22 H PHE 22 -4.925 0.237 -3.309
127 HA PHE 22 HA PHE 22 -5.642 1.184 -0.613
128 HB2 PHE 22 1HB PHE 22 -4.860 2.853 -3.012
129 HB3 PHE 22 2HB PHE 22 -5.408 3.493 -1.467
130 HD1 PHE 22 HD1 PHE 22 -4.022 2.992 0.594
131 HD2 PHE 22 HD2 PHE 22 -2.614 2.343 -3.369
132 HE1 PHE 22 HE1 PHE 22 -1.705 2.977 1.424
133 HE2 PHE 22 HE2 PHE 22 -0.295 2.326 -2.546
134 HZ PHE 22 HZ PHE 22 0.162 2.642 -0.147
135 H THR 23 H THR 23 -7.667 2.081 -0.328
136 HA THR 23 HA THR 23 -9.590 1.469 -2.451
137 HB THR 23 HB THR 23 -10.022 0.508 -0.219
138 HG1 THR 23 HG1 THR 23 -12.042 0.716 -0.787
139 HG21 THR 23 3HG2 THR 23 -10.161 1.710 1.701
140 HG22 THR 23 1HG2 THR 23 -10.833 3.126 0.894
141 HG23 THR 23 2HG2 THR 23 -9.100 2.808 0.819
142 H ILE 24 H ILE 24 -8.464 4.111 -0.412
143 HA ILE 24 HA ILE 24 -10.351 5.974 -1.606
144 HB ILE 24 HB ILE 24 -8.121 6.628 0.314
145 HG12 ILE 24 1HG1 ILE 24 -10.982 5.888 0.962
146 HG13 ILE 24 2HG1 ILE 24 -9.583 4.858 1.244
147 HG21 ILE 24 1HG2 ILE 24 -9.188 8.493 -0.929
148 HG22 ILE 24 2HG2 ILE 24 -10.733 8.033 -0.216
149 HG23 ILE 24 3HG2 ILE 24 -9.416 8.589 0.817
150 HD11 ILE 24 3HD1 ILE 24 -9.114 7.389 2.454
151 HD12 ILE 24 1HD1 ILE 24 -10.699 6.798 2.950
152 HD13 ILE 24 2HD1 ILE 24 -9.265 5.804 3.211
153 H ARG 25 H ARG 25 -9.885 6.652 -3.598
154 HA ARG 25 HA ARG 25 -7.623 6.565 -5.042
155 HB2 ARG 25 1HB ARG 25 -8.427 8.422 -6.365
156 HB3 ARG 25 2HB ARG 25 -9.794 7.439 -5.860
157 HG2 ARG 25 1HG ARG 25 -10.163 9.077 -3.998
158 HG3 ARG 25 2HG ARG 25 -8.939 10.099 -4.753
159 HD2 ARG 25 1HD ARG 25 -11.329 9.091 -6.267
160 HD3 ARG 25 2HD ARG 25 -11.387 10.573 -5.313
161 HE ARG 25 HE ARG 25 -9.212 10.918 -6.896
162 HH11 ARG 25 1HH1 ARG 25 -12.541 10.104 -7.508
163 HH12 ARG 25 2HH1 ARG 25 -12.572 10.853 -9.071
164 HH21 ARG 25 1HH2 ARG 25 -9.240 11.906 -8.952
165 HH22 ARG 25 2HH2 ARG 25 -10.694 11.876 -9.891
166 H SER 26 H SER 26 -8.371 8.993 -2.598
167 HA SER 26 HA SER 26 -6.121 10.644 -3.094
168 HB2 SER 26 1HB SER 26 -8.103 10.365 -0.872
169 HB3 SER 26 2HB SER 26 -6.636 11.300 -0.584
170 HG SER 26 HG SER 26 -7.566 12.856 -1.622
171 H ASN 27 H ASN 27 -6.743 8.100 -0.690
172 HA ASN 27 HA ASN 27 -4.443 8.180 0.782
173 HB2 ASN 27 1HB ASN 27 -6.196 5.915 -0.099
174 HB3 ASN 27 2HB ASN 27 -4.716 5.566 0.790
175 HD21 ASN 27 1HD2 ASN 27 -5.654 4.850 2.638
176 HD22 ASN 27 2HD2 ASN 27 -6.590 5.852 3.689
177 H LEU 28 H LEU 28 -4.857 6.961 -2.476
178 HA LEU 28 HA LEU 28 -2.243 5.775 -2.616
179 HB2 LEU 28 1HB LEU 28 -3.913 4.810 -3.984
180 HB3 LEU 28 2HB LEU 28 -4.365 6.375 -4.658
181 HG LEU 28 HG LEU 28 -2.130 6.440 -5.786
182 HD11 LEU 28 1HD1 LEU 28 -1.094 4.773 -4.214
183 HD12 LEU 28 2HD1 LEU 28 -0.785 4.495 -5.927
184 HD13 LEU 28 3HD1 LEU 28 -1.984 3.520 -5.078
185 HD21 LEU 28 3HD2 LEU 28 -3.122 4.033 -6.975
186 HD22 LEU 28 1HD2 LEU 28 -3.245 5.695 -7.553
187 HD23 LEU 28 2HD2 LEU 28 -4.476 5.045 -6.470
188 H ILE 29 H ILE 29 -3.727 8.814 -3.595
189 HA ILE 29 HA ILE 29 -1.591 9.803 -5.139
190 HB ILE 29 HB ILE 29 -3.628 11.362 -3.544
191 HG12 ILE 29 1HG1 ILE 29 -3.713 10.818 -6.501
192 HG13 ILE 29 2HG1 ILE 29 -4.396 9.674 -5.351
193 HG21 ILE 29 1HG2 ILE 29 -1.555 12.596 -4.274
194 HG22 ILE 29 2HG2 ILE 29 -2.057 12.291 -5.935
195 HG23 ILE 29 3HG2 ILE 29 -3.081 13.250 -4.868
196 HD11 ILE 29 3HD1 ILE 29 -6.271 10.843 -5.493
197 HD12 ILE 29 1HD1 ILE 29 -5.451 12.109 -4.580
198 HD13 ILE 29 2HD1 ILE 29 -5.468 12.163 -6.343
199 H LYS 30 H LYS 30 -2.481 10.522 -1.760
200 HA LYS 30 HA LYS 30 -0.300 12.126 -1.131
201 HB2 LYS 30 1HB LYS 30 -0.737 11.391 1.246
202 HB3 LYS 30 2HB LYS 30 -2.125 12.048 0.390
203 HG2 LYS 30 1HG LYS 30 -3.108 10.230 1.316
204 HG3 LYS 30 2HG LYS 30 -2.515 9.486 -0.171
205 HD2 LYS 30 1HD LYS 30 -1.792 7.982 1.422
206 HD3 LYS 30 2HD LYS 30 -0.376 9.022 1.251
207 HE2 LYS 30 1HE LYS 30 -2.485 9.561 3.317
208 HE3 LYS 30 2HE LYS 30 -1.167 8.430 3.621
209 HZ1 LYS 30 3HZ LYS 30 -0.406 10.453 4.444
210 HZ2 LYS 30 1HZ LYS 30 -1.016 11.341 3.139
211 HZ3 LYS 30 2HZ LYS 30 0.336 10.347 2.928
212 H HIS 31 H HIS 31 -0.516 8.680 -1.465
213 HA HIS 31 HA HIS 31 1.849 8.026 -0.022
214 HB2 HIS 31 1HB HIS 31 0.238 6.293 -0.366
215 HB3 HIS 31 2HB HIS 31 0.256 6.536 -2.110
216 HD1 HIS 31 HD1 HIS 31 2.707 5.477 0.604
217 HD2 HIS 31 HD2 HIS 31 1.851 4.777 -3.400
218 HE1 HIS 31 HE1 HIS 31 4.309 3.679 -0.121
219 H GLN 32 H GLN 32 1.145 8.446 -3.481
220 HA GLN 32 HA GLN 32 3.454 7.794 -4.693
221 HB2 GLN 32 1HB GLN 32 1.697 10.196 -5.145
222 HB3 GLN 32 2HB GLN 32 3.078 9.857 -6.180
223 HG2 GLN 32 1HG GLN 32 2.137 7.794 -6.895
224 HG3 GLN 32 2HG GLN 32 0.854 7.896 -5.691
225 HE21 GLN 32 1HE2 GLN 32 -0.940 8.039 -6.870
226 HE22 GLN 32 2HE2 GLN 32 -1.244 9.229 -8.084
227 H LYS 33 H LYS 33 3.027 10.387 -2.438
228 HA LYS 33 HA LYS 33 5.222 11.998 -3.027
229 HB2 LYS 33 1HB LYS 33 3.639 11.426 -0.565
230 HB3 LYS 33 2HB LYS 33 5.156 12.298 -0.388
231 HG2 LYS 33 1HG LYS 33 4.189 13.803 -2.282
232 HG3 LYS 33 2HG LYS 33 2.644 13.125 -1.763
233 HD2 LYS 33 1HD LYS 33 4.627 14.610 -0.040
234 HD3 LYS 33 2HD LYS 33 3.066 15.211 -0.603
235 HE2 LYS 33 1HE LYS 33 1.907 13.538 0.690
236 HE3 LYS 33 2HE LYS 33 3.434 12.792 1.159
237 HZ1 LYS 33 3HZ LYS 33 3.447 15.537 1.832
238 HZ2 LYS 33 1HZ LYS 33 3.605 14.193 2.847
239 HZ3 LYS 33 2HZ LYS 33 2.070 14.802 2.483
240 H ILE 34 H ILE 34 5.024 9.215 -0.816
241 HA ILE 34 HA ILE 34 7.730 9.243 -0.045
242 HB ILE 34 HB ILE 34 7.385 7.093 0.889
243 HG12 ILE 34 1HG1 ILE 34 5.035 5.996 0.237
244 HG13 ILE 34 2HG1 ILE 34 5.349 6.850 -1.269
245 HG21 ILE 34 1HG2 ILE 34 4.680 7.592 1.454
246 HG22 ILE 34 2HG2 ILE 34 6.088 8.059 2.407
247 HG23 ILE 34 3HG2 ILE 34 5.434 9.166 1.199
248 HD11 ILE 34 3HD1 ILE 34 6.111 4.462 -1.175
249 HD12 ILE 34 1HD1 ILE 34 7.338 5.638 -1.646
250 HD13 ILE 34 2HD1 ILE 34 7.329 4.980 -0.010
251 H HIS 35 H HIS 35 6.211 8.256 -2.947
252 HA HIS 35 HA HIS 35 8.378 6.494 -3.751
253 HB2 HIS 35 1HB HIS 35 5.707 7.225 -4.841
254 HB3 HIS 35 2HB HIS 35 6.934 6.700 -5.991
255 HD1 HIS 35 HD1 HIS 35 8.256 4.404 -4.620
256 HD2 HIS 35 HD2 HIS 35 4.160 5.059 -4.399
257 HE1 HIS 35 HE1 HIS 35 7.248 2.171 -4.053
258 H THR 36 H THR 36 7.323 9.773 -4.214
259 HA THR 36 HA THR 36 9.135 10.243 -6.430
260 HB THR 36 HB THR 36 8.354 12.588 -6.294
261 HG1 THR 36 HG1 THR 36 6.910 13.197 -4.739
262 HG21 THR 36 3HG2 THR 36 5.794 11.907 -6.537
263 HG22 THR 36 1HG2 THR 36 6.493 10.289 -6.572
264 HG23 THR 36 2HG2 THR 36 6.992 11.490 -7.763
265 H LYS 37 H LYS 37 10.501 9.325 -4.199
266 HA LYS 37 HA LYS 37 12.342 11.509 -3.783
267 HB2 LYS 37 1HB LYS 37 10.756 10.320 -1.513
268 HB3 LYS 37 2HB LYS 37 12.314 11.094 -1.254
269 HG2 LYS 37 1HG LYS 37 11.246 13.090 -2.521
270 HG3 LYS 37 2HG LYS 37 9.721 12.302 -2.109
271 HD2 LYS 37 1HD LYS 37 10.131 12.498 0.206
272 HD3 LYS 37 2HD LYS 37 11.832 12.891 -0.049
273 HE2 LYS 37 1HE LYS 37 9.499 14.620 -0.866
274 HE3 LYS 37 2HE LYS 37 10.485 14.859 0.576
275 HZ1 LYS 37 3HZ LYS 37 11.586 16.230 -0.816
276 HZ2 LYS 37 1HZ LYS 37 11.113 15.404 -2.215
277 HZ3 LYS 37 2HZ LYS 37 12.378 14.805 -1.266
278 H GLN 38 H GLN 38 14.104 10.476 -4.496
279 HA GLN 38 HA GLN 38 14.742 7.885 -4.676
280 HB2 GLN 38 1HB GLN 38 16.427 10.270 -4.050
281 HB3 GLN 38 2HB GLN 38 17.172 8.678 -4.005
282 HG2 GLN 38 1HG GLN 38 16.267 8.329 -6.336
283 HG3 GLN 38 2HG GLN 38 15.876 10.048 -6.339
284 HE21 GLN 38 1HE2 GLN 38 17.326 11.221 -7.344
285 HE22 GLN 38 2HE2 GLN 38 19.028 10.930 -7.389
286 H LYS 39 H LYS 39 14.027 6.482 -3.135
287 HA LYS 39 HA LYS 39 14.475 6.869 -0.341
288 HB2 LYS 39 1HB LYS 39 13.474 4.717 -0.045
289 HB3 LYS 39 2HB LYS 39 12.590 5.538 -1.325
290 HG2 LYS 39 1HG LYS 39 14.823 3.653 -1.969
291 HG3 LYS 39 2HG LYS 39 13.195 3.060 -1.630
292 HD2 LYS 39 1HD LYS 39 12.531 4.910 -3.393
293 HD3 LYS 39 2HD LYS 39 14.198 4.673 -3.924
294 HE2 LYS 39 1HE LYS 39 13.824 2.488 -4.560
295 HE3 LYS 39 2HE LYS 39 12.450 2.296 -3.471
296 HZ1 LYS 39 3HZ LYS 39 12.314 4.143 -5.769
297 HZ2 LYS 39 1HZ LYS 39 11.047 3.413 -4.917
298 HZ3 LYS 39 2HZ LYS 39 12.002 2.492 -5.966
299 HA PRO 40 HA PRO 40 18.519 5.223 0.143
300 HB2 PRO 40 1HB PRO 40 18.327 4.144 2.626
301 HB3 PRO 40 2HB PRO 40 18.387 5.887 2.339
302 HG2 PRO 40 1HG PRO 40 16.018 4.133 2.862
303 HG3 PRO 40 2HG PRO 40 16.388 5.739 3.518
304 HD2 PRO 40 1HD PRO 40 14.647 5.365 1.479
305 HD3 PRO 40 2HD PRO 40 15.651 6.822 1.622
306 H SER 41 H SER 41 15.937 3.002 1.194
307 HA SER 41 HA SER 41 17.487 0.789 0.014
308 HB2 SER 41 1HB SER 41 16.442 -0.701 1.669
309 HB3 SER 41 2HB SER 41 17.338 0.595 2.461
310 HG SER 41 HG SER 41 14.636 1.029 1.928
311 H GLY 42 H GLY 42 16.515 -0.444 -1.489
312 HA2 GLY 42 1HA GLY 42 13.597 -0.211 -1.812
313 HA3 GLY 42 2HA GLY 42 14.651 0.074 -3.188
314 HA PRO 43 HA PRO 43 13.709 -4.575 -2.321
315 HB2 PRO 43 1HB PRO 43 11.387 -4.918 -3.686
316 HB3 PRO 43 2HB PRO 43 11.440 -4.527 -1.963
317 HG2 PRO 43 1HG PRO 43 10.975 -2.718 -4.302
318 HG3 PRO 43 2HG PRO 43 10.139 -2.763 -2.739
319 HD2 PRO 43 1HD PRO 43 12.068 -0.950 -3.307
320 HD3 PRO 43 2HD PRO 43 11.808 -1.586 -1.670
321 H SER 44 H SER 44 14.795 -5.819 -3.705
322 HA SER 44 HA SER 44 15.397 -4.908 -6.352
323 HB2 SER 44 1HB SER 44 16.643 -7.092 -6.510
324 HB3 SER 44 2HB SER 44 17.120 -6.075 -5.150
325 HG SER 44 HG SER 44 16.744 -8.368 -4.683
326 H SER 45 H SER 45 13.729 -7.793 -5.084
327 HA SER 45 HA SER 45 12.968 -9.096 -7.303
328 HB2 SER 45 1HB SER 45 11.066 -9.926 -6.136
329 HB3 SER 45 2HB SER 45 12.278 -9.583 -4.901
330 HG SER 45 HG SER 45 11.182 -7.741 -4.346
331 H GLY 46 H GLY 46 11.943 -8.653 -9.139
332 HA2 GLY 46 1HA GLY 46 9.607 -7.508 -9.689
333 HA3 GLY 46 2HA GLY 46 10.597 -6.082 -9.415
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -1.874 -24.874 -13.518
2 HA2 GLY 1 1HA GLY 1 0.678 -23.417 -13.756
3 HA3 GLY 1 2HA GLY 1 -0.888 -22.672 -13.473
4 H SER 2 H SER 2 1.246 -22.004 -11.897
5 HA SER 2 HA SER 2 0.404 -23.104 -9.311
6 HB2 SER 2 1HB SER 2 2.633 -23.405 -8.537
7 HB3 SER 2 2HB SER 2 2.574 -24.163 -10.128
8 HG SER 2 HG SER 2 3.262 -21.789 -10.704
9 H SER 3 H SER 3 1.505 -21.718 -7.498
10 HA SER 3 HA SER 3 2.109 -19.003 -8.074
11 HB2 SER 3 1HB SER 3 0.116 -17.918 -7.267
12 HB3 SER 3 2HB SER 3 -0.361 -19.042 -8.539
13 HG SER 3 HG SER 3 -0.798 -20.551 -6.758
14 H GLY 4 H GLY 4 3.010 -17.998 -6.330
15 HA2 GLY 4 1HA GLY 4 2.720 -19.310 -3.708
16 HA3 GLY 4 2HA GLY 4 4.319 -18.979 -4.355
17 H SER 5 H SER 5 1.254 -17.337 -3.598
18 HA SER 5 HA SER 5 2.840 -15.076 -2.579
19 HB2 SER 5 1HB SER 5 1.080 -13.539 -3.433
20 HB3 SER 5 2HB SER 5 1.919 -14.398 -4.725
21 HG SER 5 HG SER 5 -0.648 -14.953 -3.657
22 H SER 6 H SER 6 1.807 -13.823 -0.918
23 HA SER 6 HA SER 6 0.580 -15.363 1.065
24 HB2 SER 6 1HB SER 6 0.679 -12.356 0.736
25 HB3 SER 6 2HB SER 6 0.157 -13.181 2.205
26 HG SER 6 HG SER 6 2.170 -13.727 2.636
27 H GLY 7 H GLY 7 -0.812 -13.029 -1.219
28 HA2 GLY 7 1HA GLY 7 -3.249 -14.373 -1.493
29 HA3 GLY 7 2HA GLY 7 -3.455 -13.154 -0.244
30 H THR 8 H THR 8 -4.535 -13.477 -3.045
31 HA THR 8 HA THR 8 -3.662 -10.864 -4.096
32 HB THR 8 HB THR 8 -4.343 -11.612 -6.320
33 HG1 THR 8 HG1 THR 8 -5.458 -13.401 -6.591
34 HG21 THR 8 3HG2 THR 8 -2.584 -13.235 -6.722
35 HG22 THR 8 1HG2 THR 8 -2.526 -13.635 -5.006
36 HG23 THR 8 2HG2 THR 8 -2.031 -12.034 -5.556
37 H GLY 9 H GLY 9 -5.112 -9.347 -3.620
38 HA2 GLY 9 1HA GLY 9 -7.966 -10.089 -3.602
39 HA3 GLY 9 2HA GLY 9 -7.272 -8.740 -2.716
40 H GLU 10 H GLU 10 -9.291 -7.862 -3.933
41 HA GLU 10 HA GLU 10 -8.327 -6.684 -6.454
42 HB2 GLU 10 1HB GLU 10 -11.014 -7.840 -5.790
43 HB3 GLU 10 2HB GLU 10 -10.876 -6.562 -6.990
44 HG2 GLU 10 1HG GLU 10 -10.742 -8.396 -8.330
45 HG3 GLU 10 2HG GLU 10 -9.032 -8.133 -7.991
46 H LYS 11 H LYS 11 -7.768 -4.679 -5.841
47 HA LYS 11 HA LYS 11 -9.676 -3.142 -4.209
48 HB2 LYS 11 1HB LYS 11 -6.748 -2.561 -4.682
49 HB3 LYS 11 2HB LYS 11 -7.819 -1.717 -3.571
50 HG2 LYS 11 1HG LYS 11 -7.486 -4.644 -3.220
51 HG3 LYS 11 2HG LYS 11 -6.149 -3.590 -2.755
52 HD2 LYS 11 1HD LYS 11 -7.296 -3.593 -0.788
53 HD3 LYS 11 2HD LYS 11 -8.125 -2.252 -1.582
54 HE2 LYS 11 1HE LYS 11 -9.904 -3.512 -0.844
55 HE3 LYS 11 2HE LYS 11 -9.695 -4.134 -2.480
56 HZ1 LYS 11 3HZ LYS 11 -8.317 -5.432 -0.225
57 HZ2 LYS 11 1HZ LYS 11 -8.781 -6.089 -1.714
58 HZ3 LYS 11 2HZ LYS 11 -9.945 -5.776 -0.528
59 HA PRO 12 HA PRO 12 -10.570 -0.513 -7.617
60 HB2 PRO 12 1HB PRO 12 -11.175 1.783 -6.302
61 HB3 PRO 12 2HB PRO 12 -12.243 0.375 -6.317
62 HG2 PRO 12 1HG PRO 12 -10.313 1.266 -4.210
63 HG3 PRO 12 2HG PRO 12 -11.965 0.648 -4.025
64 HD2 PRO 12 1HD PRO 12 -9.778 -0.895 -3.614
65 HD3 PRO 12 2HD PRO 12 -11.302 -1.549 -4.246
66 H TYR 13 H TYR 13 -7.871 -0.117 -5.665
67 HA TYR 13 HA TYR 13 -6.569 1.534 -7.637
68 HB2 TYR 13 1HB TYR 13 -6.835 2.546 -4.798
69 HB3 TYR 13 2HB TYR 13 -5.863 3.285 -6.066
70 HD1 TYR 13 HD2 TYR 13 -7.028 4.252 -8.080
71 HD2 TYR 13 HD1 TYR 13 -9.140 3.019 -4.598
72 HE1 TYR 13 HE2 TYR 13 -8.961 5.602 -8.782
73 HE2 TYR 13 HE1 TYR 13 -11.079 4.365 -5.291
74 HH TYR 13 HH TYR 13 -11.791 5.974 -6.712
75 H ILE 14 H ILE 14 -4.418 1.144 -7.725
76 HA ILE 14 HA ILE 14 -3.078 -0.110 -5.459
77 HB ILE 14 HB ILE 14 -3.175 -1.389 -8.193
78 HG12 ILE 14 1HG1 ILE 14 -3.996 -3.343 -6.658
79 HG13 ILE 14 2HG1 ILE 14 -4.392 -2.050 -5.531
80 HG21 ILE 14 1HG2 ILE 14 -1.377 -2.621 -7.686
81 HG22 ILE 14 2HG2 ILE 14 -1.041 -1.372 -6.488
82 HG23 ILE 14 3HG2 ILE 14 -1.885 -2.845 -6.012
83 HD11 ILE 14 3HD1 ILE 14 -6.359 -2.047 -6.584
84 HD12 ILE 14 1HD1 ILE 14 -5.509 -1.121 -7.821
85 HD13 ILE 14 2HD1 ILE 14 -5.713 -2.864 -8.008
86 H CYS 15 H CYS 15 -1.347 1.117 -5.151
87 HA CYS 15 HA CYS 15 -0.247 2.975 -6.826
88 HB2 CYS 15 1HB CYS 15 0.302 2.630 -4.398
89 HB3 CYS 15 2HB CYS 15 1.361 1.310 -4.883
90 H ALA 16 H ALA 16 0.309 2.630 -8.884
91 HA ALA 16 HA ALA 16 1.534 0.163 -9.741
92 HB1 ALA 16 3HB ALA 16 1.072 2.689 -11.322
93 HB2 ALA 16 1HB ALA 16 1.427 1.085 -11.964
94 HB3 ALA 16 2HB ALA 16 -0.103 1.386 -11.139
95 H GLU 17 H GLU 17 3.110 1.440 -7.821
96 HA GLU 17 HA GLU 17 5.478 2.120 -9.430
97 HB2 GLU 17 1HB GLU 17 4.459 3.495 -6.951
98 HB3 GLU 17 2HB GLU 17 6.135 3.621 -7.465
99 HG2 GLU 17 1HG GLU 17 4.950 5.538 -8.246
100 HG3 GLU 17 2HG GLU 17 5.357 4.528 -9.632
101 H CYS 18 H CYS 18 4.168 0.767 -6.462
102 HA CYS 18 HA CYS 18 6.668 -0.753 -6.134
103 HB2 CYS 18 1HB CYS 18 6.357 -0.643 -3.689
104 HB3 CYS 18 2HB CYS 18 6.572 0.955 -4.395
105 H GLY 19 H GLY 19 3.189 -0.624 -5.442
106 HA2 GLY 19 1HA GLY 19 1.976 -2.661 -6.262
107 HA3 GLY 19 2HA GLY 19 3.193 -3.579 -5.388
108 H LYS 20 H LYS 20 1.318 -0.693 -4.488
109 HA LYS 20 HA LYS 20 0.518 -2.092 -2.033
110 HB2 LYS 20 1HB LYS 20 0.754 0.825 -2.743
111 HB3 LYS 20 2HB LYS 20 -0.132 0.290 -1.320
112 HG2 LYS 20 1HG LYS 20 2.639 -0.708 -1.688
113 HG3 LYS 20 2HG LYS 20 2.414 0.975 -1.207
114 HD2 LYS 20 1HD LYS 20 1.346 0.384 0.788
115 HD3 LYS 20 2HD LYS 20 1.007 -1.255 0.226
116 HE2 LYS 20 1HE LYS 20 2.766 -1.671 1.625
117 HE3 LYS 20 2HE LYS 20 3.636 -1.396 0.117
118 HZ1 LYS 20 3HZ LYS 20 3.111 0.907 1.847
119 HZ2 LYS 20 1HZ LYS 20 4.426 0.601 0.827
120 HZ3 LYS 20 2HZ LYS 20 4.315 -0.182 2.322
121 H ALA 21 H ALA 21 -1.677 -0.850 -1.219
122 HA ALA 21 HA ALA 21 -3.610 -0.746 -3.400
123 HB1 ALA 21 3HB ALA 21 -4.286 -2.843 -3.076
124 HB2 ALA 21 1HB ALA 21 -3.328 -3.003 -1.603
125 HB3 ALA 21 2HB ALA 21 -4.943 -2.296 -1.534
126 H PHE 22 H PHE 22 -5.295 0.604 -3.007
127 HA PHE 22 HA PHE 22 -5.747 1.550 -0.276
128 HB2 PHE 22 1HB PHE 22 -5.170 3.341 -2.643
129 HB3 PHE 22 2HB PHE 22 -5.819 3.911 -1.109
130 HD1 PHE 22 HD2 PHE 22 -2.929 2.061 -2.543
131 HD2 PHE 22 HD1 PHE 22 -4.380 4.568 0.576
132 HE1 PHE 22 HE2 PHE 22 -0.641 2.289 -1.666
133 HE2 PHE 22 HE1 PHE 22 -2.094 4.801 1.457
134 HZ PHE 22 HZ PHE 22 -0.221 3.659 0.337
135 H THR 23 H THR 23 -7.799 2.570 0.039
136 HA THR 23 HA THR 23 -9.842 1.468 -1.693
137 HB THR 23 HB THR 23 -10.110 3.076 0.854
138 HG1 THR 23 HG1 THR 23 -10.256 0.275 0.336
139 HG21 THR 23 3HG2 THR 23 -12.043 2.836 -0.987
140 HG22 THR 23 1HG2 THR 23 -12.370 2.853 0.746
141 HG23 THR 23 2HG2 THR 23 -12.285 1.319 -0.121
142 H ILE 24 H ILE 24 -9.142 4.709 -0.370
143 HA ILE 24 HA ILE 24 -10.848 5.943 -2.357
144 HB ILE 24 HB ILE 24 -9.045 7.432 -0.470
145 HG12 ILE 24 1HG1 ILE 24 -11.845 6.543 0.214
146 HG13 ILE 24 2HG1 ILE 24 -10.425 5.621 0.695
147 HG21 ILE 24 1HG2 ILE 24 -11.370 8.798 -0.598
148 HG22 ILE 24 2HG2 ILE 24 -10.006 9.068 -1.682
149 HG23 ILE 24 3HG2 ILE 24 -11.349 8.046 -2.193
150 HD11 ILE 24 3HD1 ILE 24 -10.266 6.884 2.496
151 HD12 ILE 24 1HD1 ILE 24 -9.952 8.281 1.466
152 HD13 ILE 24 2HD1 ILE 24 -11.605 7.891 1.944
153 H ARG 25 H ARG 25 -10.126 7.582 -3.825
154 HA ARG 25 HA ARG 25 -7.807 6.858 -5.267
155 HB2 ARG 25 1HB ARG 25 -9.765 7.891 -6.329
156 HB3 ARG 25 2HB ARG 25 -9.466 9.379 -5.442
157 HG2 ARG 25 1HG ARG 25 -7.549 9.871 -6.679
158 HG3 ARG 25 2HG ARG 25 -7.404 8.218 -7.279
159 HD2 ARG 25 1HD ARG 25 -9.554 8.566 -8.509
160 HD3 ARG 25 2HD ARG 25 -9.487 10.262 -8.029
161 HE ARG 25 HE ARG 25 -7.906 8.963 -10.059
162 HH11 ARG 25 1HH1 ARG 25 -8.165 11.684 -7.904
163 HH12 ARG 25 2HH1 ARG 25 -7.129 12.699 -8.851
164 HH21 ARG 25 1HH2 ARG 25 -6.540 10.289 -11.315
165 HH22 ARG 25 2HH2 ARG 25 -6.205 11.905 -10.791
166 H SER 26 H SER 26 -8.500 9.470 -2.994
167 HA SER 26 HA SER 26 -6.043 10.841 -3.341
168 HB2 SER 26 1HB SER 26 -6.686 12.165 -1.487
169 HB3 SER 26 2HB SER 26 -8.201 11.723 -2.274
170 HG SER 26 HG SER 26 -7.576 11.337 0.222
171 H ASN 27 H ASN 27 -7.167 8.636 -0.775
172 HA ASN 27 HA ASN 27 -5.054 8.499 0.882
173 HB2 ASN 27 1HB ASN 27 -7.236 7.020 0.694
174 HB3 ASN 27 2HB ASN 27 -6.131 5.875 -0.060
175 HD21 ASN 27 1HD2 ASN 27 -6.742 4.566 1.809
176 HD22 ASN 27 2HD2 ASN 27 -5.865 4.770 3.284
177 H LEU 28 H LEU 28 -5.151 7.288 -2.391
178 HA LEU 28 HA LEU 28 -2.627 5.901 -2.169
179 HB2 LEU 28 1HB LEU 28 -4.242 4.979 -3.660
180 HB3 LEU 28 2HB LEU 28 -4.438 6.521 -4.491
181 HG LEU 28 HG LEU 28 -2.054 6.277 -5.271
182 HD11 LEU 28 1HD1 LEU 28 -0.885 4.731 -4.143
183 HD12 LEU 28 2HD1 LEU 28 -1.626 3.597 -5.272
184 HD13 LEU 28 3HD1 LEU 28 -2.328 3.834 -3.672
185 HD21 LEU 28 3HD2 LEU 28 -2.859 4.143 -6.738
186 HD22 LEU 28 1HD2 LEU 28 -3.355 5.808 -7.041
187 HD23 LEU 28 2HD2 LEU 28 -4.403 4.730 -6.118
188 H ILE 29 H ILE 29 -3.821 8.810 -3.830
189 HA ILE 29 HA ILE 29 -1.545 9.657 -5.094
190 HB ILE 29 HB ILE 29 -3.634 11.313 -3.685
191 HG12 ILE 29 1HG1 ILE 29 -3.187 10.502 -6.561
192 HG13 ILE 29 2HG1 ILE 29 -4.534 10.051 -5.522
193 HG21 ILE 29 1HG2 ILE 29 -1.288 12.153 -5.351
194 HG22 ILE 29 2HG2 ILE 29 -2.746 13.138 -5.252
195 HG23 ILE 29 3HG2 ILE 29 -1.823 12.781 -3.793
196 HD11 ILE 29 3HD1 ILE 29 -5.407 11.686 -6.919
197 HD12 ILE 29 1HD1 ILE 29 -5.045 12.555 -5.427
198 HD13 ILE 29 2HD1 ILE 29 -3.959 12.687 -6.811
199 H LYS 30 H LYS 30 -2.377 10.028 -1.683
200 HA LYS 30 HA LYS 30 -0.184 11.681 -0.993
201 HB2 LYS 30 1HB LYS 30 -2.345 11.209 0.332
202 HB3 LYS 30 2HB LYS 30 -1.520 9.765 0.904
203 HG2 LYS 30 1HG LYS 30 0.306 11.215 1.757
204 HG3 LYS 30 2HG LYS 30 -0.658 12.622 1.301
205 HD2 LYS 30 1HD LYS 30 -2.376 12.043 2.847
206 HD3 LYS 30 2HD LYS 30 -1.652 10.463 3.153
207 HE2 LYS 30 1HE LYS 30 0.028 11.339 4.461
208 HE3 LYS 30 2HE LYS 30 -0.056 12.924 3.693
209 HZ1 LYS 30 3HZ LYS 30 -1.101 13.442 5.604
210 HZ2 LYS 30 1HZ LYS 30 -1.597 11.854 5.913
211 HZ3 LYS 30 2HZ LYS 30 -2.456 12.809 4.813
212 H HIS 31 H HIS 31 -0.666 8.178 -0.963
213 HA HIS 31 HA HIS 31 1.728 7.467 0.308
214 HB2 HIS 31 1HB HIS 31 0.086 5.778 0.094
215 HB3 HIS 31 2HB HIS 31 -0.051 6.018 -1.645
216 HD1 HIS 31 HD1 HIS 31 1.720 4.051 0.886
217 HD2 HIS 31 HD2 HIS 31 2.218 4.996 -3.130
218 HE1 HIS 31 HE1 HIS 31 3.387 2.387 0.005
219 H GLN 32 H GLN 32 0.977 7.648 -3.171
220 HA GLN 32 HA GLN 32 3.307 6.896 -4.311
221 HB2 GLN 32 1HB GLN 32 1.374 9.067 -5.019
222 HB3 GLN 32 2HB GLN 32 2.845 8.883 -5.965
223 HG2 GLN 32 1HG GLN 32 2.149 6.424 -6.193
224 HG3 GLN 32 2HG GLN 32 0.564 6.973 -5.649
225 HE21 GLN 32 1HE2 GLN 32 -0.551 8.530 -6.928
226 HE22 GLN 32 2HE2 GLN 32 -0.235 8.660 -8.621
227 H LYS 33 H LYS 33 2.818 9.683 -2.334
228 HA LYS 33 HA LYS 33 4.819 11.406 -3.075
229 HB2 LYS 33 1HB LYS 33 3.923 10.640 -0.293
230 HB3 LYS 33 2HB LYS 33 4.975 12.006 -0.640
231 HG2 LYS 33 1HG LYS 33 2.313 11.768 -1.979
232 HG3 LYS 33 2HG LYS 33 2.444 12.403 -0.337
233 HD2 LYS 33 1HD LYS 33 4.220 13.500 -2.470
234 HD3 LYS 33 2HD LYS 33 2.532 14.014 -2.406
235 HE2 LYS 33 1HE LYS 33 4.108 14.050 0.115
236 HE3 LYS 33 2HE LYS 33 4.440 15.295 -1.088
237 HZ1 LYS 33 3HZ LYS 33 2.475 15.389 0.777
238 HZ2 LYS 33 1HZ LYS 33 1.637 14.904 -0.611
239 HZ3 LYS 33 2HZ LYS 33 2.540 16.334 -0.625
240 H ILE 34 H ILE 34 5.152 8.679 -0.803
241 HA ILE 34 HA ILE 34 7.800 8.864 -0.167
242 HB ILE 34 HB ILE 34 7.826 6.504 0.254
243 HG12 ILE 34 1HG1 ILE 34 5.222 6.190 -1.227
244 HG13 ILE 34 2HG1 ILE 34 6.772 5.981 -2.036
245 HG21 ILE 34 1HG2 ILE 34 5.593 8.177 1.017
246 HG22 ILE 34 2HG2 ILE 34 5.172 6.466 1.058
247 HG23 ILE 34 3HG2 ILE 34 6.547 7.058 1.990
248 HD11 ILE 34 3HD1 ILE 34 6.883 3.901 -1.311
249 HD12 ILE 34 1HD1 ILE 34 6.790 4.454 0.361
250 HD13 ILE 34 2HD1 ILE 34 5.312 4.099 -0.535
251 H HIS 35 H HIS 35 6.440 8.096 -3.240
252 HA HIS 35 HA HIS 35 8.934 7.017 -4.281
253 HB2 HIS 35 1HB HIS 35 6.281 7.539 -5.637
254 HB3 HIS 35 2HB HIS 35 7.666 6.759 -6.394
255 HD1 HIS 35 HD1 HIS 35 8.487 4.776 -4.244
256 HD2 HIS 35 HD2 HIS 35 4.534 5.493 -5.305
257 HE1 HIS 35 HE1 HIS 35 7.221 2.715 -3.555
258 H THR 36 H THR 36 6.972 9.925 -4.482
259 HA THR 36 HA THR 36 8.743 11.132 -6.444
260 HB THR 36 HB THR 36 7.244 13.025 -6.428
261 HG1 THR 36 HG1 THR 36 5.472 13.060 -4.954
262 HG21 THR 36 3HG2 THR 36 6.060 11.738 -7.822
263 HG22 THR 36 1HG2 THR 36 4.989 11.416 -6.460
264 HG23 THR 36 2HG2 THR 36 6.307 10.303 -6.828
265 H LYS 37 H LYS 37 10.067 10.468 -4.083
266 HA LYS 37 HA LYS 37 10.249 12.679 -2.297
267 HB2 LYS 37 1HB LYS 37 12.292 11.528 -1.469
268 HB3 LYS 37 2HB LYS 37 10.879 10.483 -1.529
269 HG2 LYS 37 1HG LYS 37 12.383 9.073 -2.456
270 HG3 LYS 37 2HG LYS 37 11.886 9.919 -3.924
271 HD2 LYS 37 1HD LYS 37 13.805 11.360 -3.810
272 HD3 LYS 37 2HD LYS 37 14.255 10.710 -2.232
273 HE2 LYS 37 1HE LYS 37 14.316 8.434 -3.501
274 HE3 LYS 37 2HE LYS 37 14.459 9.449 -4.935
275 HZ1 LYS 37 3HZ LYS 37 16.583 9.825 -4.485
276 HZ2 LYS 37 1HZ LYS 37 16.490 8.673 -3.249
277 HZ3 LYS 37 2HZ LYS 37 16.242 10.309 -2.900
278 H GLN 38 H GLN 38 11.787 14.295 -2.161
279 HA GLN 38 HA GLN 38 13.012 15.038 -4.677
280 HB2 GLN 38 1HB GLN 38 11.830 16.713 -3.302
281 HB3 GLN 38 2HB GLN 38 13.006 16.473 -2.016
282 HG2 GLN 38 1HG GLN 38 14.780 17.289 -3.474
283 HG3 GLN 38 2HG GLN 38 13.610 17.517 -4.773
284 HE21 GLN 38 1HE2 GLN 38 14.958 19.666 -4.233
285 HE22 GLN 38 2HE2 GLN 38 14.059 20.803 -3.293
286 H LYS 39 H LYS 39 15.016 14.526 -5.222
287 HA LYS 39 HA LYS 39 16.943 13.908 -3.079
288 HB2 LYS 39 1HB LYS 39 18.010 12.347 -4.541
289 HB3 LYS 39 2HB LYS 39 16.286 12.001 -4.574
290 HG2 LYS 39 1HG LYS 39 16.722 11.901 -6.797
291 HG3 LYS 39 2HG LYS 39 16.371 13.626 -6.661
292 HD2 LYS 39 1HD LYS 39 18.677 14.184 -6.656
293 HD3 LYS 39 2HD LYS 39 19.154 12.499 -6.431
294 HE2 LYS 39 1HE LYS 39 17.812 12.217 -8.703
295 HE3 LYS 39 2HE LYS 39 18.247 13.916 -8.880
296 HZ1 LYS 39 3HZ LYS 39 20.584 13.250 -8.473
297 HZ2 LYS 39 1HZ LYS 39 19.932 12.595 -9.890
298 HZ3 LYS 39 2HZ LYS 39 20.100 11.629 -8.513
299 HA PRO 40 HA PRO 40 19.469 17.235 -4.449
300 HB2 PRO 40 1HB PRO 40 21.909 16.317 -3.693
301 HB3 PRO 40 2HB PRO 40 20.703 16.901 -2.540
302 HG2 PRO 40 1HG PRO 40 21.379 14.089 -3.313
303 HG3 PRO 40 2HG PRO 40 21.062 14.761 -1.703
304 HD2 PRO 40 1HD PRO 40 19.199 13.376 -3.096
305 HD3 PRO 40 2HD PRO 40 18.776 14.697 -1.989
306 H SER 41 H SER 41 19.411 17.300 -6.666
307 HA SER 41 HA SER 41 20.366 15.408 -8.450
308 HB2 SER 41 1HB SER 41 20.146 18.411 -8.718
309 HB3 SER 41 2HB SER 41 20.562 17.350 -10.064
310 HG SER 41 HG SER 41 18.568 16.505 -10.039
311 H GLY 42 H GLY 42 22.316 14.874 -9.269
312 HA2 GLY 42 1HA GLY 42 24.578 16.330 -9.610
313 HA3 GLY 42 2HA GLY 42 24.660 15.874 -7.914
314 HA PRO 43 HA PRO 43 25.908 12.374 -10.998
315 HB2 PRO 43 1HB PRO 43 28.513 12.957 -11.489
316 HB3 PRO 43 2HB PRO 43 27.193 13.511 -12.526
317 HG2 PRO 43 1HG PRO 43 28.666 14.992 -10.382
318 HG3 PRO 43 2HG PRO 43 28.170 15.551 -11.990
319 HD2 PRO 43 1HD PRO 43 26.794 16.173 -9.742
320 HD3 PRO 43 2HD PRO 43 26.003 15.960 -11.318
321 H SER 44 H SER 44 27.847 14.049 -8.549
322 HA SER 44 HA SER 44 28.361 11.444 -7.284
323 HB2 SER 44 1HB SER 44 30.410 12.172 -8.445
324 HB3 SER 44 2HB SER 44 30.371 13.694 -7.555
325 HG SER 44 HG SER 44 31.749 11.930 -6.704
326 H SER 45 H SER 45 26.259 13.050 -6.565
327 HA SER 45 HA SER 45 26.875 14.883 -4.489
328 HB2 SER 45 1HB SER 45 24.734 14.950 -5.689
329 HB3 SER 45 2HB SER 45 24.307 13.371 -5.030
330 HG SER 45 HG SER 45 24.728 14.547 -2.908
331 H GLY 46 H GLY 46 25.452 11.609 -4.325
332 HA2 GLY 46 1HA GLY 46 26.721 11.326 -1.671
333 HA3 GLY 46 2HA GLY 46 25.085 10.767 -1.986
Start of MODEL 9
1 H1 GLY 1 H GLY 1 10.636 -18.708 -0.762
2 HA2 GLY 1 1HA GLY 1 9.323 -19.830 -2.371
3 HA3 GLY 1 2HA GLY 1 8.129 -18.918 -1.460
4 H SER 2 H SER 2 8.065 -19.782 -4.251
5 HA SER 2 HA SER 2 7.811 -17.130 -5.511
6 HB2 SER 2 1HB SER 2 8.341 -18.239 -7.685
7 HB3 SER 2 2HB SER 2 9.684 -18.273 -6.542
8 HG SER 2 HG SER 2 9.263 -20.409 -6.125
9 H SER 3 H SER 3 5.645 -16.858 -5.195
10 HA SER 3 HA SER 3 3.787 -18.986 -5.856
11 HB2 SER 3 1HB SER 3 3.468 -17.421 -3.895
12 HB3 SER 3 2HB SER 3 3.128 -16.144 -5.062
13 HG SER 3 HG SER 3 1.243 -17.260 -4.243
14 H GLY 4 H GLY 4 1.883 -18.475 -7.260
15 HA2 GLY 4 1HA GLY 4 2.843 -17.120 -9.689
16 HA3 GLY 4 2HA GLY 4 1.599 -18.360 -9.637
17 H SER 5 H SER 5 -0.009 -17.359 -7.594
18 HA SER 5 HA SER 5 -0.700 -14.625 -8.109
19 HB2 SER 5 1HB SER 5 -2.725 -14.899 -9.280
20 HB3 SER 5 2HB SER 5 -1.603 -15.979 -10.108
21 HG SER 5 HG SER 5 -2.579 -17.704 -9.217
22 H SER 6 H SER 6 -1.723 -13.801 -6.390
23 HA SER 6 HA SER 6 -2.973 -15.683 -4.497
24 HB2 SER 6 1HB SER 6 -0.966 -14.958 -3.449
25 HB3 SER 6 2HB SER 6 -1.218 -13.287 -3.954
26 HG SER 6 HG SER 6 -2.180 -13.041 -2.113
27 H GLY 7 H GLY 7 -4.907 -15.109 -3.587
28 HA2 GLY 7 1HA GLY 7 -6.086 -12.578 -4.561
29 HA3 GLY 7 2HA GLY 7 -6.998 -14.074 -4.426
30 H THR 8 H THR 8 -4.996 -11.936 -2.395
31 HA THR 8 HA THR 8 -6.327 -12.728 0.010
32 HB THR 8 HB THR 8 -5.048 -10.928 1.091
33 HG1 THR 8 HG1 THR 8 -3.867 -9.499 -0.100
34 HG21 THR 8 3HG2 THR 8 -4.023 -13.203 -0.152
35 HG22 THR 8 1HG2 THR 8 -3.265 -12.271 1.138
36 HG23 THR 8 2HG2 THR 8 -2.879 -11.920 -0.547
37 H GLY 9 H GLY 9 -6.435 -9.848 -2.067
38 HA2 GLY 9 1HA GLY 9 -9.172 -9.360 -1.494
39 HA3 GLY 9 2HA GLY 9 -8.154 -8.274 -0.559
40 H GLU 10 H GLU 10 -10.074 -7.838 -2.828
41 HA GLU 10 HA GLU 10 -8.252 -6.694 -4.823
42 HB2 GLU 10 1HB GLU 10 -10.405 -6.361 -6.134
43 HB3 GLU 10 2HB GLU 10 -9.895 -8.023 -5.877
44 HG2 GLU 10 1HG GLU 10 -11.502 -8.266 -4.078
45 HG3 GLU 10 2HG GLU 10 -11.984 -6.580 -4.260
46 H LYS 11 H LYS 11 -8.199 -4.534 -5.283
47 HA LYS 11 HA LYS 11 -9.919 -2.767 -3.679
48 HB2 LYS 11 1HB LYS 11 -6.949 -2.848 -3.842
49 HB3 LYS 11 2HB LYS 11 -7.713 -1.265 -3.772
50 HG2 LYS 11 1HG LYS 11 -7.285 -1.741 -1.551
51 HG3 LYS 11 2HG LYS 11 -8.977 -2.210 -1.735
52 HD2 LYS 11 1HD LYS 11 -8.432 -4.508 -1.811
53 HD3 LYS 11 2HD LYS 11 -6.715 -4.170 -2.042
54 HE2 LYS 11 1HE LYS 11 -6.834 -4.770 0.198
55 HE3 LYS 11 2HE LYS 11 -6.871 -3.008 0.258
56 HZ1 LYS 11 3HZ LYS 11 -9.431 -3.403 0.181
57 HZ2 LYS 11 1HZ LYS 11 -8.591 -3.538 1.643
58 HZ3 LYS 11 2HZ LYS 11 -9.024 -4.930 0.786
59 HA PRO 12 HA PRO 12 -10.701 -0.595 -7.415
60 HB2 PRO 12 1HB PRO 12 -11.107 1.918 -6.471
61 HB3 PRO 12 2HB PRO 12 -12.270 0.606 -6.242
62 HG2 PRO 12 1HG PRO 12 -10.221 1.674 -4.339
63 HG3 PRO 12 2HG PRO 12 -11.905 1.215 -4.028
64 HD2 PRO 12 1HD PRO 12 -9.818 -0.399 -3.417
65 HD3 PRO 12 2HD PRO 12 -11.403 -1.031 -3.909
66 H TYR 13 H TYR 13 -8.154 0.507 -5.293
67 HA TYR 13 HA TYR 13 -6.758 1.625 -7.627
68 HB2 TYR 13 1HB TYR 13 -6.844 2.841 -4.858
69 HB3 TYR 13 2HB TYR 13 -5.834 3.409 -6.183
70 HD1 TYR 13 HD2 TYR 13 -7.017 4.214 -8.309
71 HD2 TYR 13 HD1 TYR 13 -9.029 3.637 -4.604
72 HE1 TYR 13 HE2 TYR 13 -8.843 5.669 -9.081
73 HE2 TYR 13 HE1 TYR 13 -10.861 5.090 -5.366
74 HH TYR 13 HH TYR 13 -11.657 5.748 -8.133
75 H ILE 14 H ILE 14 -4.585 1.221 -7.745
76 HA ILE 14 HA ILE 14 -3.238 -0.049 -5.495
77 HB ILE 14 HB ILE 14 -3.408 -1.383 -8.200
78 HG12 ILE 14 1HG1 ILE 14 -4.425 -2.394 -5.541
79 HG13 ILE 14 2HG1 ILE 14 -5.444 -1.561 -6.710
80 HG21 ILE 14 1HG2 ILE 14 -2.227 -2.748 -5.859
81 HG22 ILE 14 2HG2 ILE 14 -1.789 -2.835 -7.564
82 HG23 ILE 14 3HG2 ILE 14 -1.275 -1.457 -6.591
83 HD11 ILE 14 3HD1 ILE 14 -5.832 -3.493 -7.701
84 HD12 ILE 14 1HD1 ILE 14 -4.119 -3.623 -8.096
85 HD13 ILE 14 2HD1 ILE 14 -4.731 -4.310 -6.591
86 H CYS 15 H CYS 15 -1.310 0.857 -5.283
87 HA CYS 15 HA CYS 15 -0.220 2.702 -7.064
88 HB2 CYS 15 1HB CYS 15 0.325 2.405 -4.601
89 HB3 CYS 15 2HB CYS 15 1.387 1.087 -5.084
90 H ALA 16 H ALA 16 0.921 2.524 -8.878
91 HA ALA 16 HA ALA 16 1.736 -0.141 -9.759
92 HB1 ALA 16 3HB ALA 16 1.508 2.462 -11.262
93 HB2 ALA 16 1HB ALA 16 2.015 0.930 -11.972
94 HB3 ALA 16 2HB ALA 16 0.386 1.103 -11.318
95 H GLU 17 H GLU 17 3.219 1.479 -7.734
96 HA GLU 17 HA GLU 17 5.793 1.664 -9.158
97 HB2 GLU 17 1HB GLU 17 4.793 3.222 -6.772
98 HB3 GLU 17 2HB GLU 17 6.468 3.234 -7.306
99 HG2 GLU 17 1HG GLU 17 5.182 5.181 -8.088
100 HG3 GLU 17 2HG GLU 17 5.854 4.220 -9.403
101 H CYS 18 H CYS 18 4.089 0.507 -6.330
102 HA CYS 18 HA CYS 18 6.429 -1.154 -5.672
103 HB2 CYS 18 1HB CYS 18 5.840 -0.955 -3.283
104 HB3 CYS 18 2HB CYS 18 6.253 0.602 -3.992
105 H GLY 19 H GLY 19 2.913 -0.785 -5.502
106 HA2 GLY 19 1HA GLY 19 1.576 -2.670 -6.314
107 HA3 GLY 19 2HA GLY 19 2.712 -3.732 -5.496
108 H LYS 20 H LYS 20 1.230 -0.761 -4.271
109 HA LYS 20 HA LYS 20 0.208 -2.295 -1.996
110 HB2 LYS 20 1HB LYS 20 1.651 -0.147 -1.805
111 HB3 LYS 20 2HB LYS 20 0.164 0.702 -2.211
112 HG2 LYS 20 1HG LYS 20 -0.925 -0.104 -0.259
113 HG3 LYS 20 2HG LYS 20 0.394 -1.224 0.087
114 HD2 LYS 20 1HD LYS 20 1.902 0.698 0.420
115 HD3 LYS 20 2HD LYS 20 0.545 1.791 0.137
116 HE2 LYS 20 1HE LYS 20 -0.575 0.398 2.051
117 HE3 LYS 20 2HE LYS 20 1.092 -0.006 2.457
118 HZ1 LYS 20 3HZ LYS 20 -0.317 2.522 2.708
119 HZ2 LYS 20 1HZ LYS 20 1.287 2.625 2.179
120 HZ3 LYS 20 2HZ LYS 20 0.930 1.877 3.653
121 H ALA 21 H ALA 21 -1.938 -2.237 -1.357
122 HA ALA 21 HA ALA 21 -3.818 -1.463 -3.468
123 HB1 ALA 21 3HB ALA 21 -4.616 -3.496 -3.026
124 HB2 ALA 21 1HB ALA 21 -3.694 -3.617 -1.527
125 HB3 ALA 21 2HB ALA 21 -5.263 -2.810 -1.535
126 H PHE 22 H PHE 22 -5.400 0.024 -3.181
127 HA PHE 22 HA PHE 22 -5.735 1.205 -0.514
128 HB2 PHE 22 1HB PHE 22 -5.084 2.643 -3.075
129 HB3 PHE 22 2HB PHE 22 -5.920 3.460 -1.758
130 HD1 PHE 22 HD1 PHE 22 -4.795 3.673 0.458
131 HD2 PHE 22 HD2 PHE 22 -2.761 2.273 -3.010
132 HE1 PHE 22 HE1 PHE 22 -2.635 4.140 1.540
133 HE2 PHE 22 HE2 PHE 22 -0.599 2.737 -1.933
134 HZ PHE 22 HZ PHE 22 -0.533 3.671 0.345
135 H THR 23 H THR 23 -7.735 2.404 -0.252
136 HA THR 23 HA THR 23 -9.865 1.301 -1.949
137 HB THR 23 HB THR 23 -9.953 0.807 0.500
138 HG1 THR 23 HG1 THR 23 -11.862 1.273 -1.064
139 HG21 THR 23 3HG2 THR 23 -10.021 2.404 2.101
140 HG22 THR 23 1HG2 THR 23 -10.957 3.515 1.102
141 HG23 THR 23 2HG2 THR 23 -9.213 3.379 0.874
142 H ILE 24 H ILE 24 -8.540 4.283 -0.668
143 HA ILE 24 HA ILE 24 -10.587 5.829 -2.095
144 HB ILE 24 HB ILE 24 -8.514 6.892 -0.179
145 HG12 ILE 24 1HG1 ILE 24 -11.383 6.107 0.379
146 HG13 ILE 24 2HG1 ILE 24 -9.957 5.249 0.953
147 HG21 ILE 24 1HG2 ILE 24 -10.537 8.085 -1.859
148 HG22 ILE 24 2HG2 ILE 24 -10.791 8.487 -0.162
149 HG23 ILE 24 3HG2 ILE 24 -9.248 8.852 -0.933
150 HD11 ILE 24 3HD1 ILE 24 -11.334 7.237 2.278
151 HD12 ILE 24 1HD1 ILE 24 -9.735 6.614 2.684
152 HD13 ILE 24 2HD1 ILE 24 -9.892 8.049 1.670
153 H ARG 25 H ARG 25 -10.045 7.393 -3.612
154 HA ARG 25 HA ARG 25 -7.793 6.837 -5.229
155 HB2 ARG 25 1HB ARG 25 -9.801 7.727 -6.224
156 HB3 ARG 25 2HB ARG 25 -9.715 9.167 -5.219
157 HG2 ARG 25 1HG ARG 25 -7.656 9.837 -6.356
158 HG3 ARG 25 2HG ARG 25 -7.754 8.396 -7.369
159 HD2 ARG 25 1HD ARG 25 -8.688 10.039 -8.714
160 HD3 ARG 25 2HD ARG 25 -10.101 9.273 -7.990
161 HE ARG 25 HE ARG 25 -10.549 11.223 -6.865
162 HH11 ARG 25 1HH1 ARG 25 -7.335 11.360 -8.197
163 HH12 ARG 25 2HH1 ARG 25 -7.115 13.040 -7.835
164 HH21 ARG 25 1HH2 ARG 25 -10.271 13.435 -6.383
165 HH22 ARG 25 2HH2 ARG 25 -8.786 14.219 -6.801
166 H SER 26 H SER 26 -8.413 9.177 -2.703
167 HA SER 26 HA SER 26 -6.093 10.771 -3.241
168 HB2 SER 26 1HB SER 26 -6.662 11.982 -1.256
169 HB3 SER 26 2HB SER 26 -8.180 11.579 -2.059
170 HG SER 26 HG SER 26 -7.014 10.296 0.185
171 H ASN 27 H ASN 27 -6.937 8.406 -0.716
172 HA ASN 27 HA ASN 27 -4.713 8.372 0.823
173 HB2 ASN 27 1HB ASN 27 -6.781 6.845 0.922
174 HB3 ASN 27 2HB ASN 27 -5.889 5.779 -0.159
175 HD21 ASN 27 1HD2 ASN 27 -6.745 5.070 2.409
176 HD22 ASN 27 2HD2 ASN 27 -5.350 4.798 3.391
177 H LEU 28 H LEU 28 -4.964 7.261 -2.469
178 HA LEU 28 HA LEU 28 -2.381 5.963 -2.445
179 HB2 LEU 28 1HB LEU 28 -3.925 4.954 -3.882
180 HB3 LEU 28 2HB LEU 28 -4.452 6.500 -4.544
181 HG LEU 28 HG LEU 28 -2.068 6.635 -5.529
182 HD11 LEU 28 1HD1 LEU 28 -1.849 4.209 -4.141
183 HD12 LEU 28 2HD1 LEU 28 -0.685 4.925 -5.255
184 HD13 LEU 28 3HD1 LEU 28 -1.897 3.793 -5.854
185 HD21 LEU 28 3HD2 LEU 28 -4.269 6.212 -6.722
186 HD22 LEU 28 1HD2 LEU 28 -3.849 4.499 -6.670
187 HD23 LEU 28 2HD2 LEU 28 -2.809 5.636 -7.528
188 H ILE 29 H ILE 29 -3.793 8.937 -3.749
189 HA ILE 29 HA ILE 29 -1.609 9.885 -5.178
190 HB ILE 29 HB ILE 29 -3.703 11.427 -3.647
191 HG12 ILE 29 1HG1 ILE 29 -3.418 10.853 -6.604
192 HG13 ILE 29 2HG1 ILE 29 -4.492 9.984 -5.513
193 HG21 ILE 29 1HG2 ILE 29 -1.682 12.782 -3.974
194 HG22 ILE 29 2HG2 ILE 29 -1.756 12.457 -5.705
195 HG23 ILE 29 3HG2 ILE 29 -3.040 13.381 -4.926
196 HD11 ILE 29 3HD1 ILE 29 -4.647 12.938 -6.052
197 HD12 ILE 29 1HD1 ILE 29 -5.620 11.715 -6.869
198 HD13 ILE 29 2HD1 ILE 29 -5.788 11.961 -5.130
199 H LYS 30 H LYS 30 -2.339 10.148 -1.733
200 HA LYS 30 HA LYS 30 -0.226 11.905 -1.074
201 HB2 LYS 30 1HB LYS 30 -2.053 11.638 0.459
202 HB3 LYS 30 2HB LYS 30 -1.771 9.906 0.580
203 HG2 LYS 30 1HG LYS 30 0.226 10.226 1.812
204 HG3 LYS 30 2HG LYS 30 0.237 11.958 1.471
205 HD2 LYS 30 1HD LYS 30 -2.096 10.756 2.897
206 HD3 LYS 30 2HD LYS 30 -0.602 11.066 3.785
207 HE2 LYS 30 1HE LYS 30 -0.720 13.374 3.397
208 HE3 LYS 30 2HE LYS 30 -1.891 13.183 2.092
209 HZ1 LYS 30 3HZ LYS 30 -3.607 12.817 3.572
210 HZ2 LYS 30 1HZ LYS 30 -2.696 13.992 4.379
211 HZ3 LYS 30 2HZ LYS 30 -2.580 12.369 4.839
212 H HIS 31 H HIS 31 -0.458 8.395 -1.264
213 HA HIS 31 HA HIS 31 1.954 7.718 -0.036
214 HB2 HIS 31 1HB HIS 31 0.382 5.988 -0.535
215 HB3 HIS 31 2HB HIS 31 0.409 6.372 -2.253
216 HD1 HIS 31 HD1 HIS 31 2.759 5.032 0.415
217 HD2 HIS 31 HD2 HIS 31 2.150 4.867 -3.692
218 HE1 HIS 31 HE1 HIS 31 4.427 3.359 -0.445
219 H GLN 32 H GLN 32 1.273 8.402 -3.457
220 HA GLN 32 HA GLN 32 3.610 7.895 -4.689
221 HB2 GLN 32 1HB GLN 32 1.980 10.422 -4.998
222 HB3 GLN 32 2HB GLN 32 3.194 9.865 -6.142
223 HG2 GLN 32 1HG GLN 32 0.994 8.008 -5.424
224 HG3 GLN 32 2HG GLN 32 0.628 9.372 -6.479
225 HE21 GLN 32 1HE2 GLN 32 1.617 6.223 -6.390
226 HE22 GLN 32 2HE2 GLN 32 2.333 6.107 -7.958
227 H LYS 33 H LYS 33 3.097 10.296 -2.247
228 HA LYS 33 HA LYS 33 5.248 12.006 -2.680
229 HB2 LYS 33 1HB LYS 33 3.842 11.119 -0.171
230 HB3 LYS 33 2HB LYS 33 5.174 12.266 -0.120
231 HG2 LYS 33 1HG LYS 33 3.796 13.585 -1.863
232 HG3 LYS 33 2HG LYS 33 2.450 12.588 -1.306
233 HD2 LYS 33 1HD LYS 33 2.250 14.380 0.111
234 HD3 LYS 33 2HD LYS 33 3.310 13.340 1.067
235 HE2 LYS 33 1HE LYS 33 5.249 14.580 0.015
236 HE3 LYS 33 2HE LYS 33 4.063 15.728 -0.603
237 HZ1 LYS 33 3HZ LYS 33 5.229 16.184 1.641
238 HZ2 LYS 33 1HZ LYS 33 4.110 15.080 2.267
239 HZ3 LYS 33 2HZ LYS 33 3.571 16.486 1.497
240 H ILE 34 H ILE 34 5.137 9.114 -0.596
241 HA ILE 34 HA ILE 34 7.839 9.139 0.135
242 HB ILE 34 HB ILE 34 7.555 6.918 0.916
243 HG12 ILE 34 1HG1 ILE 34 5.232 5.809 0.203
244 HG13 ILE 34 2HG1 ILE 34 5.506 6.779 -1.240
245 HG21 ILE 34 1HG2 ILE 34 6.317 7.947 2.471
246 HG22 ILE 34 2HG2 ILE 34 5.389 8.845 1.271
247 HG23 ILE 34 3HG2 ILE 34 4.942 7.187 1.670
248 HD11 ILE 34 3HD1 ILE 34 7.887 5.668 -1.119
249 HD12 ILE 34 1HD1 ILE 34 7.008 4.439 -0.209
250 HD13 ILE 34 2HD1 ILE 34 6.516 4.837 -1.855
251 H HIS 35 H HIS 35 6.369 8.383 -2.842
252 HA HIS 35 HA HIS 35 8.566 6.709 -3.762
253 HB2 HIS 35 1HB HIS 35 5.884 7.466 -4.812
254 HB3 HIS 35 2HB HIS 35 7.126 7.038 -5.985
255 HD1 HIS 35 HD1 HIS 35 8.481 4.716 -4.510
256 HD2 HIS 35 HD2 HIS 35 4.364 5.213 -4.774
257 HE1 HIS 35 HE1 HIS 35 7.504 2.425 -4.162
258 H THR 36 H THR 36 8.534 9.773 -3.138
259 HA THR 36 HA THR 36 9.752 10.637 -5.677
260 HB THR 36 HB THR 36 8.747 12.428 -3.461
261 HG1 THR 36 HG1 THR 36 7.169 11.052 -4.778
262 HG21 THR 36 3HG2 THR 36 9.464 13.016 -6.335
263 HG22 THR 36 1HG2 THR 36 10.465 13.400 -4.936
264 HG23 THR 36 2HG2 THR 36 8.898 14.184 -5.141
265 H LYS 37 H LYS 37 10.110 10.793 -2.149
266 HA LYS 37 HA LYS 37 12.865 11.711 -2.439
267 HB2 LYS 37 1HB LYS 37 11.593 11.100 0.201
268 HB3 LYS 37 2HB LYS 37 12.798 12.318 -0.198
269 HG2 LYS 37 1HG LYS 37 10.902 13.401 -1.580
270 HG3 LYS 37 2HG LYS 37 9.838 12.389 -0.600
271 HD2 LYS 37 1HD LYS 37 11.256 13.395 1.378
272 HD3 LYS 37 2HD LYS 37 11.565 14.681 0.208
273 HE2 LYS 37 1HE LYS 37 9.660 15.327 1.477
274 HE3 LYS 37 2HE LYS 37 9.083 14.847 -0.118
275 HZ1 LYS 37 3HZ LYS 37 8.600 12.624 0.882
276 HZ2 LYS 37 1HZ LYS 37 7.641 13.888 1.469
277 HZ3 LYS 37 2HZ LYS 37 8.921 13.294 2.401
278 H GLN 38 H GLN 38 14.407 10.247 -2.703
279 HA GLN 38 HA GLN 38 14.112 7.639 -1.364
280 HB2 GLN 38 1HB GLN 38 15.494 6.682 -3.139
281 HB3 GLN 38 2HB GLN 38 14.061 7.454 -3.806
282 HG2 GLN 38 1HG GLN 38 15.397 9.412 -4.405
283 HG3 GLN 38 2HG GLN 38 16.833 8.627 -3.748
284 HE21 GLN 38 1HE2 GLN 38 14.309 8.313 -6.188
285 HE22 GLN 38 2HE2 GLN 38 15.261 7.422 -7.320
286 H LYS 39 H LYS 39 15.165 9.852 -0.010
287 HA LYS 39 HA LYS 39 18.062 9.389 0.006
288 HB2 LYS 39 1HB LYS 39 17.810 11.674 -0.049
289 HB3 LYS 39 2HB LYS 39 16.302 11.638 0.856
290 HG2 LYS 39 1HG LYS 39 18.797 10.848 2.260
291 HG3 LYS 39 2HG LYS 39 18.533 12.558 1.910
292 HD2 LYS 39 1HD LYS 39 16.203 12.188 2.944
293 HD3 LYS 39 2HD LYS 39 16.893 10.705 3.607
294 HE2 LYS 39 1HE LYS 39 17.197 12.299 5.294
295 HE3 LYS 39 2HE LYS 39 18.769 12.190 4.503
296 HZ1 LYS 39 3HZ LYS 39 16.723 14.296 4.060
297 HZ2 LYS 39 1HZ LYS 39 18.182 14.173 3.212
298 HZ3 LYS 39 2HZ LYS 39 18.193 14.481 4.875
299 HA PRO 40 HA PRO 40 17.721 6.926 3.653
300 HB2 PRO 40 1HB PRO 40 20.313 7.065 4.448
301 HB3 PRO 40 2HB PRO 40 19.779 6.080 3.081
302 HG2 PRO 40 1HG PRO 40 21.041 8.795 3.082
303 HG3 PRO 40 2HG PRO 40 21.371 7.408 2.027
304 HD2 PRO 40 1HD PRO 40 19.828 9.493 1.251
305 HD3 PRO 40 2HD PRO 40 19.547 7.834 0.684
306 H SER 41 H SER 41 16.434 8.189 5.005
307 HA SER 41 HA SER 41 17.667 10.374 6.486
308 HB2 SER 41 1HB SER 41 14.834 9.310 6.589
309 HB3 SER 41 2HB SER 41 15.413 10.785 7.363
310 HG SER 41 HG SER 41 15.218 10.233 4.591
311 H GLY 42 H GLY 42 16.099 7.251 7.140
312 HA2 GLY 42 1HA GLY 42 17.634 7.115 9.647
313 HA3 GLY 42 2HA GLY 42 15.900 6.829 9.681
314 HA PRO 43 HA PRO 43 16.456 2.589 8.741
315 HB2 PRO 43 1HB PRO 43 14.469 2.068 6.965
316 HB3 PRO 43 2HB PRO 43 14.169 2.375 8.680
317 HG2 PRO 43 1HG PRO 43 13.926 4.240 6.351
318 HG3 PRO 43 2HG PRO 43 12.835 4.028 7.732
319 HD2 PRO 43 1HD PRO 43 14.615 6.062 7.582
320 HD3 PRO 43 2HD PRO 43 14.140 5.321 9.124
321 H SER 44 H SER 44 18.212 1.944 7.657
322 HA SER 44 HA SER 44 18.576 2.732 4.868
323 HB2 SER 44 1HB SER 44 20.857 1.735 5.164
324 HB3 SER 44 2HB SER 44 20.508 3.055 6.280
325 HG SER 44 HG SER 44 20.961 0.390 6.786
326 H SER 45 H SER 45 18.361 -0.183 6.866
327 HA SER 45 HA SER 45 18.093 -1.784 4.412
328 HB2 SER 45 1HB SER 45 18.769 -3.708 5.710
329 HB3 SER 45 2HB SER 45 19.932 -2.412 5.990
330 HG SER 45 HG SER 45 18.801 -3.720 7.835
331 H GLY 46 H GLY 46 16.747 -1.403 7.684
332 HA2 GLY 46 1HA GLY 46 14.324 -1.216 7.900
333 HA3 GLY 46 2HA GLY 46 14.184 -2.412 6.620
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -3.850 -24.690 -1.237
2 HA2 GLY 1 1HA GLY 1 -2.153 -23.939 0.455
3 HA3 GLY 1 2HA GLY 1 -1.487 -24.101 -1.163
4 H SER 2 H SER 2 -0.064 -22.510 -1.426
5 HA SER 2 HA SER 2 -0.733 -19.832 -0.425
6 HB2 SER 2 1HB SER 2 1.446 -20.914 0.252
7 HB3 SER 2 2HB SER 2 1.950 -20.798 -1.434
8 HG SER 2 HG SER 2 2.003 -18.912 0.467
9 H SER 3 H SER 3 -2.027 -18.999 -2.015
10 HA SER 3 HA SER 3 -0.804 -18.743 -4.685
11 HB2 SER 3 1HB SER 3 -2.866 -20.159 -4.641
12 HB3 SER 3 2HB SER 3 -3.766 -18.759 -4.058
13 HG SER 3 HG SER 3 -3.275 -17.695 -5.983
14 H GLY 4 H GLY 4 -3.309 -17.181 -2.671
15 HA2 GLY 4 1HA GLY 4 -1.961 -14.646 -2.791
16 HA3 GLY 4 2HA GLY 4 -3.381 -14.707 -3.825
17 H SER 5 H SER 5 -3.396 -12.857 -1.900
18 HA SER 5 HA SER 5 -5.353 -13.928 0.014
19 HB2 SER 5 1HB SER 5 -3.035 -13.503 1.029
20 HB3 SER 5 2HB SER 5 -3.370 -11.789 0.784
21 HG SER 5 HG SER 5 -4.937 -11.861 2.268
22 H SER 6 H SER 6 -4.021 -11.048 -1.560
23 HA SER 6 HA SER 6 -6.588 -9.678 -1.160
24 HB2 SER 6 1HB SER 6 -4.440 -8.551 -0.445
25 HB3 SER 6 2HB SER 6 -4.003 -8.462 -2.151
26 HG SER 6 HG SER 6 -5.553 -6.812 -0.768
27 H GLY 7 H GLY 7 -7.878 -10.435 -2.780
28 HA2 GLY 7 1HA GLY 7 -6.954 -9.861 -5.526
29 HA3 GLY 7 2HA GLY 7 -7.828 -11.337 -5.143
30 H THR 8 H THR 8 -9.982 -10.876 -3.943
31 HA THR 8 HA THR 8 -11.363 -8.767 -5.462
32 HB THR 8 HB THR 8 -13.441 -10.078 -5.019
33 HG1 THR 8 HG1 THR 8 -13.303 -11.629 -3.598
34 HG21 THR 8 3HG2 THR 8 -11.863 -10.337 -7.060
35 HG22 THR 8 1HG2 THR 8 -13.118 -11.547 -6.796
36 HG23 THR 8 2HG2 THR 8 -11.450 -11.891 -6.337
37 H GLY 9 H GLY 9 -11.714 -6.996 -4.291
38 HA2 GLY 9 1HA GLY 9 -13.179 -7.145 -1.829
39 HA3 GLY 9 2HA GLY 9 -11.509 -6.657 -1.581
40 H GLU 10 H GLU 10 -11.857 -4.571 -0.955
41 HA GLU 10 HA GLU 10 -13.262 -2.829 -2.869
42 HB2 GLU 10 1HB GLU 10 -13.560 -1.262 -0.991
43 HB3 GLU 10 2HB GLU 10 -14.292 -2.827 -0.667
44 HG2 GLU 10 1HG GLU 10 -12.700 -3.396 0.910
45 HG3 GLU 10 2HG GLU 10 -11.527 -2.236 0.290
46 H LYS 11 H LYS 11 -10.602 -3.629 -3.339
47 HA LYS 11 HA LYS 11 -9.116 -1.138 -2.818
48 HB2 LYS 11 1HB LYS 11 -8.122 -3.954 -3.260
49 HB3 LYS 11 2HB LYS 11 -7.068 -2.547 -3.277
50 HG2 LYS 11 1HG LYS 11 -6.843 -3.351 -1.121
51 HG3 LYS 11 2HG LYS 11 -8.036 -2.063 -0.941
52 HD2 LYS 11 1HD LYS 11 -9.832 -3.755 -1.062
53 HD3 LYS 11 2HD LYS 11 -8.604 -5.020 -1.151
54 HE2 LYS 11 1HE LYS 11 -7.906 -4.665 1.041
55 HE3 LYS 11 2HE LYS 11 -8.605 -3.048 1.103
56 HZ1 LYS 11 3HZ LYS 11 -10.047 -5.637 1.175
57 HZ2 LYS 11 1HZ LYS 11 -10.825 -4.150 0.959
58 HZ3 LYS 11 2HZ LYS 11 -9.976 -4.460 2.389
59 HA PRO 12 HA PRO 12 -10.012 -1.540 -7.410
60 HB2 PRO 12 1HB PRO 12 -11.217 0.878 -7.674
61 HB3 PRO 12 2HB PRO 12 -12.100 -0.594 -7.255
62 HG2 PRO 12 1HG PRO 12 -11.118 1.599 -5.470
63 HG3 PRO 12 2HG PRO 12 -12.676 0.752 -5.448
64 HD2 PRO 12 1HD PRO 12 -10.668 0.151 -3.735
65 HD3 PRO 12 2HD PRO 12 -11.814 -1.068 -4.328
66 H TYR 13 H TYR 13 -8.092 0.156 -5.337
67 HA TYR 13 HA TYR 13 -6.746 1.545 -7.557
68 HB2 TYR 13 1HB TYR 13 -7.108 2.525 -4.720
69 HB3 TYR 13 2HB TYR 13 -6.039 3.279 -5.898
70 HD1 TYR 13 HD2 TYR 13 -7.027 4.316 -7.956
71 HD2 TYR 13 HD1 TYR 13 -9.437 2.960 -4.722
72 HE1 TYR 13 HE2 TYR 13 -8.898 5.678 -8.787
73 HE2 TYR 13 HE1 TYR 13 -11.315 4.318 -5.545
74 HH TYR 13 HH TYR 13 -10.995 6.759 -7.743
75 H ILE 14 H ILE 14 -4.687 0.992 -7.841
76 HA ILE 14 HA ILE 14 -3.205 -0.173 -5.584
77 HB ILE 14 HB ILE 14 -3.214 -1.247 -8.407
78 HG12 ILE 14 1HG1 ILE 14 -3.946 -3.349 -7.005
79 HG13 ILE 14 2HG1 ILE 14 -4.467 -2.140 -5.837
80 HG21 ILE 14 1HG2 ILE 14 -1.133 -1.271 -6.598
81 HG22 ILE 14 2HG2 ILE 14 -1.899 -2.842 -6.365
82 HG23 ILE 14 3HG2 ILE 14 -1.334 -2.365 -7.966
83 HD11 ILE 14 3HD1 ILE 14 -5.939 -3.106 -7.939
84 HD12 ILE 14 1HD1 ILE 14 -6.272 -1.634 -7.028
85 HD13 ILE 14 2HD1 ILE 14 -5.360 -1.551 -8.535
86 H CYS 15 H CYS 15 -1.261 0.701 -5.279
87 HA CYS 15 HA CYS 15 -0.348 2.905 -6.731
88 HB2 CYS 15 1HB CYS 15 0.276 2.232 -4.360
89 HB3 CYS 15 2HB CYS 15 1.413 1.096 -5.077
90 H ALA 16 H ALA 16 0.298 2.903 -8.777
91 HA ALA 16 HA ALA 16 1.469 0.546 -9.981
92 HB1 ALA 16 3HB ALA 16 1.252 3.179 -11.378
93 HB2 ALA 16 1HB ALA 16 1.100 1.547 -12.029
94 HB3 ALA 16 2HB ALA 16 -0.198 2.230 -11.049
95 H GLU 17 H GLU 17 2.944 1.989 -7.867
96 HA GLU 17 HA GLU 17 5.338 2.729 -9.418
97 HB2 GLU 17 1HB GLU 17 4.178 3.853 -6.904
98 HB3 GLU 17 2HB GLU 17 5.921 3.892 -7.124
99 HG2 GLU 17 1HG GLU 17 4.091 4.940 -9.242
100 HG3 GLU 17 2HG GLU 17 4.523 5.926 -7.846
101 H CYS 18 H CYS 18 4.193 1.213 -6.422
102 HA CYS 18 HA CYS 18 6.657 -0.405 -6.405
103 HB2 CYS 18 1HB CYS 18 6.502 -0.483 -3.953
104 HB3 CYS 18 2HB CYS 18 6.662 1.171 -4.533
105 H GLY 19 H GLY 19 3.244 -0.312 -5.407
106 HA2 GLY 19 1HA GLY 19 1.952 -2.266 -6.357
107 HA3 GLY 19 2HA GLY 19 3.203 -3.258 -5.622
108 H LYS 20 H LYS 20 0.822 -0.751 -4.778
109 HA LYS 20 HA LYS 20 0.288 -2.245 -2.298
110 HB2 LYS 20 1HB LYS 20 0.892 0.643 -2.681
111 HB3 LYS 20 2HB LYS 20 -0.338 0.227 -1.494
112 HG2 LYS 20 1HG LYS 20 1.386 -1.379 -0.521
113 HG3 LYS 20 2HG LYS 20 2.564 -0.524 -1.520
114 HD2 LYS 20 1HD LYS 20 2.648 0.533 0.583
115 HD3 LYS 20 2HD LYS 20 1.697 1.611 -0.441
116 HE2 LYS 20 1HE LYS 20 0.438 1.540 1.496
117 HE3 LYS 20 2HE LYS 20 -0.333 0.302 0.506
118 HZ1 LYS 20 3HZ LYS 20 1.664 -0.177 2.651
119 HZ2 LYS 20 1HZ LYS 20 0.969 -1.376 1.680
120 HZ3 LYS 20 2HZ LYS 20 0.005 -0.489 2.749
121 H ALA 21 H ALA 21 -1.839 -1.008 -1.303
122 HA ALA 21 HA ALA 21 -3.801 -0.632 -3.437
123 HB1 ALA 21 3HB ALA 21 -4.401 -2.793 -3.221
124 HB2 ALA 21 1HB ALA 21 -3.683 -2.944 -1.616
125 HB3 ALA 21 2HB ALA 21 -5.270 -2.197 -1.807
126 H PHE 22 H PHE 22 -5.652 0.516 -2.814
127 HA PHE 22 HA PHE 22 -5.906 1.405 -0.063
128 HB2 PHE 22 1HB PHE 22 -5.335 3.317 -2.333
129 HB3 PHE 22 2HB PHE 22 -5.941 3.816 -0.757
130 HD1 PHE 22 HD2 PHE 22 -3.094 2.188 -2.469
131 HD2 PHE 22 HD1 PHE 22 -4.488 4.129 1.054
132 HE1 PHE 22 HE2 PHE 22 -0.786 2.307 -1.625
133 HE2 PHE 22 HE1 PHE 22 -2.181 4.252 1.902
134 HZ PHE 22 HZ PHE 22 -0.327 3.339 0.563
135 H THR 23 H THR 23 -7.880 2.715 0.267
136 HA THR 23 HA THR 23 -10.039 1.640 -1.349
137 HB THR 23 HB THR 23 -10.249 3.426 1.079
138 HG1 THR 23 HG1 THR 23 -9.123 1.396 1.459
139 HG21 THR 23 3HG2 THR 23 -12.210 1.608 -0.320
140 HG22 THR 23 1HG2 THR 23 -12.303 3.362 -0.166
141 HG23 THR 23 2HG2 THR 23 -12.493 2.340 1.259
142 H ILE 24 H ILE 24 -8.982 4.863 -0.252
143 HA ILE 24 HA ILE 24 -10.707 6.120 -2.235
144 HB ILE 24 HB ILE 24 -8.838 7.576 -0.385
145 HG12 ILE 24 1HG1 ILE 24 -11.679 6.787 0.275
146 HG13 ILE 24 2HG1 ILE 24 -10.269 5.918 0.871
147 HG21 ILE 24 1HG2 ILE 24 -10.283 9.415 -0.692
148 HG22 ILE 24 2HG2 ILE 24 -10.044 8.720 -2.294
149 HG23 ILE 24 3HG2 ILE 24 -11.538 8.407 -1.412
150 HD11 ILE 24 3HD1 ILE 24 -9.780 8.580 1.496
151 HD12 ILE 24 1HD1 ILE 24 -11.490 8.332 1.847
152 HD13 ILE 24 2HD1 ILE 24 -10.275 7.297 2.600
153 H ARG 25 H ARG 25 -9.956 7.509 -3.861
154 HA ARG 25 HA ARG 25 -7.611 6.680 -5.183
155 HB2 ARG 25 1HB ARG 25 -9.519 7.611 -6.388
156 HB3 ARG 25 2HB ARG 25 -9.289 9.161 -5.591
157 HG2 ARG 25 1HG ARG 25 -6.945 9.113 -6.659
158 HG3 ARG 25 2HG ARG 25 -7.622 7.865 -7.708
159 HD2 ARG 25 1HD ARG 25 -9.164 9.327 -8.657
160 HD3 ARG 25 2HD ARG 25 -9.042 10.472 -7.322
161 HE ARG 25 HE ARG 25 -7.269 11.457 -8.380
162 HH11 ARG 25 1HH1 ARG 25 -7.829 8.320 -9.782
163 HH12 ARG 25 2HH1 ARG 25 -6.688 8.546 -11.066
164 HH21 ARG 25 1HH2 ARG 25 -5.765 11.766 -10.066
165 HH22 ARG 25 2HH2 ARG 25 -5.514 10.506 -11.227
166 H SER 26 H SER 26 -8.338 9.522 -3.204
167 HA SER 26 HA SER 26 -5.866 10.831 -3.609
168 HB2 SER 26 1HB SER 26 -6.489 12.165 -1.621
169 HB3 SER 26 2HB SER 26 -7.824 12.026 -2.764
170 HG SER 26 HG SER 26 -8.267 10.046 -1.280
171 H ASN 27 H ASN 27 -6.984 8.488 -1.225
172 HA ASN 27 HA ASN 27 -4.908 8.603 0.604
173 HB2 ASN 27 1HB ASN 27 -6.645 6.323 -0.323
174 HB3 ASN 27 2HB ASN 27 -5.425 6.100 0.927
175 HD21 ASN 27 1HD2 ASN 27 -7.020 5.597 2.441
176 HD22 ASN 27 2HD2 ASN 27 -8.028 6.815 3.139
177 H LEU 28 H LEU 28 -5.071 6.926 -2.494
178 HA LEU 28 HA LEU 28 -2.559 5.597 -2.184
179 HB2 LEU 28 1HB LEU 28 -4.052 4.551 -3.645
180 HB3 LEU 28 2HB LEU 28 -4.429 6.057 -4.479
181 HG LEU 28 HG LEU 28 -2.037 5.988 -5.351
182 HD11 LEU 28 1HD1 LEU 28 -1.747 3.181 -5.326
183 HD12 LEU 28 2HD1 LEU 28 -1.987 3.698 -3.658
184 HD13 LEU 28 3HD1 LEU 28 -0.684 4.397 -4.618
185 HD21 LEU 28 3HD2 LEU 28 -4.224 4.104 -6.133
186 HD22 LEU 28 1HD2 LEU 28 -2.689 4.099 -7.003
187 HD23 LEU 28 2HD2 LEU 28 -3.664 5.568 -6.942
188 H ILE 29 H ILE 29 -3.648 8.462 -3.978
189 HA ILE 29 HA ILE 29 -1.239 9.114 -5.212
190 HB ILE 29 HB ILE 29 -3.355 11.016 -4.197
191 HG12 ILE 29 1HG1 ILE 29 -3.099 10.168 -7.050
192 HG13 ILE 29 2HG1 ILE 29 -3.858 9.060 -5.912
193 HG21 ILE 29 1HG2 ILE 29 -1.193 12.092 -4.716
194 HG22 ILE 29 2HG2 ILE 29 -1.282 11.428 -6.347
195 HG23 ILE 29 3HG2 ILE 29 -2.486 12.597 -5.803
196 HD11 ILE 29 3HD1 ILE 29 -5.256 10.811 -7.285
197 HD12 ILE 29 1HD1 ILE 29 -5.682 10.386 -5.628
198 HD13 ILE 29 2HD1 ILE 29 -4.793 11.874 -5.956
199 H LYS 30 H LYS 30 -2.430 9.903 -1.983
200 HA LYS 30 HA LYS 30 -0.351 11.678 -1.274
201 HB2 LYS 30 1HB LYS 30 -2.373 10.079 0.249
202 HB3 LYS 30 2HB LYS 30 -1.065 10.866 1.123
203 HG2 LYS 30 1HG LYS 30 -1.783 13.003 0.506
204 HG3 LYS 30 2HG LYS 30 -2.807 12.381 -0.790
205 HD2 LYS 30 1HD LYS 30 -4.301 11.378 0.852
206 HD3 LYS 30 2HD LYS 30 -3.260 11.940 2.162
207 HE2 LYS 30 1HE LYS 30 -3.717 14.241 1.589
208 HE3 LYS 30 2HE LYS 30 -4.648 13.739 0.179
209 HZ1 LYS 30 3HZ LYS 30 -6.446 13.421 1.422
210 HZ2 LYS 30 1HZ LYS 30 -5.638 14.221 2.675
211 HZ3 LYS 30 2HZ LYS 30 -5.600 12.532 2.587
212 H HIS 31 H HIS 31 -0.635 8.194 -1.211
213 HA HIS 31 HA HIS 31 1.628 7.714 0.450
214 HB2 HIS 31 1HB HIS 31 0.256 5.867 0.403
215 HB3 HIS 31 2HB HIS 31 -0.125 6.060 -1.305
216 HD1 HIS 31 HD1 HIS 31 2.372 4.524 1.006
217 HD2 HIS 31 HD2 HIS 31 1.657 4.814 -3.076
218 HE1 HIS 31 HE1 HIS 31 3.904 2.843 -0.065
219 H GLN 32 H GLN 32 1.125 7.702 -3.064
220 HA GLN 32 HA GLN 32 3.561 6.843 -3.956
221 HB2 GLN 32 1HB GLN 32 1.657 8.902 -5.022
222 HB3 GLN 32 2HB GLN 32 3.176 8.589 -5.851
223 HG2 GLN 32 1HG GLN 32 2.577 6.285 -6.187
224 HG3 GLN 32 2HG GLN 32 1.113 6.491 -5.227
225 HE21 GLN 32 1HE2 GLN 32 -0.574 6.401 -6.518
226 HE22 GLN 32 2HE2 GLN 32 -0.731 7.191 -8.047
227 H LYS 33 H LYS 33 2.890 9.700 -2.194
228 HA LYS 33 HA LYS 33 4.898 11.433 -3.002
229 HB2 LYS 33 1HB LYS 33 3.595 10.956 -0.333
230 HB3 LYS 33 2HB LYS 33 4.844 12.178 -0.532
231 HG2 LYS 33 1HG LYS 33 3.378 13.070 -2.444
232 HG3 LYS 33 2HG LYS 33 2.103 12.079 -1.731
233 HD2 LYS 33 1HD LYS 33 2.816 13.271 0.483
234 HD3 LYS 33 2HD LYS 33 3.499 14.474 -0.614
235 HE2 LYS 33 1HE LYS 33 0.653 13.513 -0.801
236 HE3 LYS 33 2HE LYS 33 1.133 14.895 0.183
237 HZ1 LYS 33 3HZ LYS 33 1.988 15.971 -1.800
238 HZ2 LYS 33 1HZ LYS 33 0.355 15.579 -2.002
239 HZ3 LYS 33 2HZ LYS 33 1.548 14.640 -2.748
240 H ILE 34 H ILE 34 5.067 8.606 -0.929
241 HA ILE 34 HA ILE 34 7.664 9.045 0.092
242 HB ILE 34 HB ILE 34 7.544 6.951 1.021
243 HG12 ILE 34 1HG1 ILE 34 7.595 5.703 -1.085
244 HG13 ILE 34 2HG1 ILE 34 6.394 5.023 0.007
245 HG21 ILE 34 1HG2 ILE 34 4.671 6.773 0.591
246 HG22 ILE 34 2HG2 ILE 34 5.580 7.050 2.076
247 HG23 ILE 34 3HG2 ILE 34 5.208 8.401 1.005
248 HD11 ILE 34 3HD1 ILE 34 5.868 5.399 -2.527
249 HD12 ILE 34 1HD1 ILE 34 4.640 5.683 -1.294
250 HD13 ILE 34 2HD1 ILE 34 5.523 7.043 -1.989
251 H HIS 35 H HIS 35 6.602 8.271 -3.018
252 HA HIS 35 HA HIS 35 9.042 6.870 -3.773
253 HB2 HIS 35 1HB HIS 35 6.564 7.617 -5.333
254 HB3 HIS 35 2HB HIS 35 7.954 6.800 -6.042
255 HD1 HIS 35 HD1 HIS 35 8.486 4.787 -3.722
256 HD2 HIS 35 HD2 HIS 35 4.767 5.554 -5.408
257 HE1 HIS 35 HE1 HIS 35 7.101 2.742 -3.253
258 H THR 36 H THR 36 7.480 9.985 -4.186
259 HA THR 36 HA THR 36 8.800 11.182 -6.214
260 HB THR 36 HB THR 36 7.157 12.250 -4.577
261 HG1 THR 36 HG1 THR 36 9.386 13.896 -5.199
262 HG21 THR 36 3HG2 THR 36 9.476 13.417 -3.149
263 HG22 THR 36 1HG2 THR 36 8.996 11.784 -2.689
264 HG23 THR 36 2HG2 THR 36 7.835 13.107 -2.582
265 H LYS 37 H LYS 37 10.794 11.978 -6.669
266 HA LYS 37 HA LYS 37 12.890 11.566 -4.638
267 HB2 LYS 37 1HB LYS 37 13.092 11.264 -7.640
268 HB3 LYS 37 2HB LYS 37 14.446 11.142 -6.524
269 HG2 LYS 37 1HG LYS 37 13.257 9.241 -5.420
270 HG3 LYS 37 2HG LYS 37 12.073 9.306 -6.728
271 HD2 LYS 37 1HD LYS 37 13.516 7.716 -7.541
272 HD3 LYS 37 2HD LYS 37 14.215 9.177 -8.243
273 HE2 LYS 37 1HE LYS 37 15.674 9.254 -6.136
274 HE3 LYS 37 2HE LYS 37 15.162 7.587 -5.879
275 HZ1 LYS 37 3HZ LYS 37 16.374 6.847 -7.621
276 HZ2 LYS 37 1HZ LYS 37 17.311 8.210 -7.265
277 HZ3 LYS 37 2HZ LYS 37 16.183 8.264 -8.525
278 H GLN 38 H GLN 38 14.189 13.242 -4.171
279 HA GLN 38 HA GLN 38 14.323 15.517 -5.999
280 HB2 GLN 38 1HB GLN 38 13.783 17.131 -4.301
281 HB3 GLN 38 2HB GLN 38 12.476 15.958 -4.386
282 HG2 GLN 38 1HG GLN 38 13.481 14.793 -2.432
283 HG3 GLN 38 2HG GLN 38 14.645 16.111 -2.309
284 HE21 GLN 38 1HE2 GLN 38 11.152 15.539 -2.491
285 HE22 GLN 38 2HE2 GLN 38 10.715 16.784 -1.375
286 H LYS 39 H LYS 39 15.959 17.165 -5.164
287 HA LYS 39 HA LYS 39 18.457 15.995 -4.938
288 HB2 LYS 39 1HB LYS 39 18.262 18.267 -5.674
289 HB3 LYS 39 2HB LYS 39 17.517 18.756 -4.157
290 HG2 LYS 39 1HG LYS 39 19.694 18.082 -3.042
291 HG3 LYS 39 2HG LYS 39 20.376 18.001 -4.668
292 HD2 LYS 39 1HD LYS 39 20.894 20.164 -4.069
293 HD3 LYS 39 2HD LYS 39 19.353 20.397 -4.898
294 HE2 LYS 39 1HE LYS 39 18.306 20.128 -2.559
295 HE3 LYS 39 2HE LYS 39 19.937 20.422 -1.957
296 HZ1 LYS 39 3HZ LYS 39 19.029 22.310 -3.946
297 HZ2 LYS 39 1HZ LYS 39 19.823 22.582 -2.477
298 HZ3 LYS 39 2HZ LYS 39 18.148 22.344 -2.502
299 HA PRO 40 HA PRO 40 18.726 14.701 -0.730
300 HB2 PRO 40 1HB PRO 40 21.428 14.509 -0.550
301 HB3 PRO 40 2HB PRO 40 20.438 13.335 -1.425
302 HG2 PRO 40 1HG PRO 40 22.023 15.641 -2.487
303 HG3 PRO 40 2HG PRO 40 21.883 13.992 -3.124
304 HD2 PRO 40 1HD PRO 40 20.500 16.076 -4.160
305 HD3 PRO 40 2HD PRO 40 19.858 14.421 -4.138
306 H SER 41 H SER 41 17.968 16.610 0.288
307 HA SER 41 HA SER 41 20.122 18.346 1.299
308 HB2 SER 41 1HB SER 41 18.482 20.214 1.339
309 HB3 SER 41 2HB SER 41 18.800 19.627 -0.293
310 HG SER 41 HG SER 41 16.848 18.258 0.126
311 H GLY 42 H GLY 42 16.993 16.837 1.894
312 HA2 GLY 42 1HA GLY 42 16.687 17.729 4.566
313 HA3 GLY 42 2HA GLY 42 15.876 16.349 3.841
314 HA PRO 43 HA PRO 43 18.647 14.691 7.126
315 HB2 PRO 43 1HB PRO 43 16.871 12.826 7.984
316 HB3 PRO 43 2HB PRO 43 16.866 14.495 8.564
317 HG2 PRO 43 1HG PRO 43 15.150 13.211 6.475
318 HG3 PRO 43 2HG PRO 43 14.689 14.338 7.764
319 HD2 PRO 43 1HD PRO 43 15.055 15.128 5.200
320 HD3 PRO 43 2HD PRO 43 15.412 16.181 6.584
321 H SER 44 H SER 44 17.515 13.710 4.182
322 HA SER 44 HA SER 44 17.597 11.067 3.848
323 HB2 SER 44 1HB SER 44 17.532 12.657 1.970
324 HB3 SER 44 2HB SER 44 19.247 12.999 2.199
325 HG SER 44 HG SER 44 19.746 10.964 1.532
326 H SER 45 H SER 45 18.832 9.435 4.474
327 HA SER 45 HA SER 45 20.630 8.198 5.122
328 HB2 SER 45 1HB SER 45 21.652 9.063 3.026
329 HB3 SER 45 2HB SER 45 22.295 10.431 3.935
330 HG SER 45 HG SER 45 23.721 9.150 4.896
331 H GLY 46 H GLY 46 19.416 9.967 6.962
332 HA2 GLY 46 1HA GLY 46 20.929 9.802 9.190
333 HA3 GLY 46 2HA GLY 46 21.511 11.289 8.457
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -1.798 -25.330 -19.275
2 HA2 GLY 1 1HA GLY 1 -3.704 -24.871 -17.525
3 HA3 GLY 1 2HA GLY 1 -3.068 -26.362 -16.847
4 H SER 2 H SER 2 -3.006 -23.159 -16.451
5 HA SER 2 HA SER 2 -0.447 -23.262 -15.058
6 HB2 SER 2 1HB SER 2 -1.085 -21.418 -17.333
7 HB3 SER 2 2HB SER 2 -0.044 -20.853 -16.026
8 HG SER 2 HG SER 2 1.476 -21.864 -17.054
9 H SER 3 H SER 3 -0.466 -22.174 -13.171
10 HA SER 3 HA SER 3 -2.391 -20.061 -12.684
11 HB2 SER 3 1HB SER 3 -3.501 -22.339 -12.196
12 HB3 SER 3 2HB SER 3 -2.419 -22.416 -10.805
13 HG SER 3 HG SER 3 -3.553 -20.920 -9.832
14 H GLY 4 H GLY 4 -2.145 -19.233 -10.366
15 HA2 GLY 4 1HA GLY 4 -0.762 -18.908 -8.455
16 HA3 GLY 4 2HA GLY 4 0.561 -19.678 -9.318
17 H SER 5 H SER 5 -1.544 -17.082 -10.472
18 HA SER 5 HA SER 5 0.839 -15.355 -10.637
19 HB2 SER 5 1HB SER 5 -0.352 -16.202 -12.800
20 HB3 SER 5 2HB SER 5 -1.565 -14.986 -12.399
21 HG SER 5 HG SER 5 0.362 -13.529 -12.238
22 H SER 6 H SER 6 0.536 -13.091 -10.313
23 HA SER 6 HA SER 6 -1.059 -12.446 -8.102
24 HB2 SER 6 1HB SER 6 -0.380 -10.127 -8.505
25 HB3 SER 6 2HB SER 6 0.993 -11.215 -8.710
26 HG SER 6 HG SER 6 0.177 -9.457 -10.419
27 H GLY 7 H GLY 7 -3.217 -12.885 -8.399
28 HA2 GLY 7 1HA GLY 7 -4.715 -10.886 -9.846
29 HA3 GLY 7 2HA GLY 7 -4.854 -12.501 -10.525
30 H THR 8 H THR 8 -5.173 -10.748 -7.448
31 HA THR 8 HA THR 8 -7.720 -12.005 -6.955
32 HB THR 8 HB THR 8 -5.433 -12.548 -5.050
33 HG1 THR 8 HG1 THR 8 -5.220 -14.093 -6.544
34 HG21 THR 8 3HG2 THR 8 -7.087 -13.880 -3.811
35 HG22 THR 8 1HG2 THR 8 -8.345 -13.345 -4.924
36 HG23 THR 8 2HG2 THR 8 -7.539 -12.177 -3.876
37 H GLY 9 H GLY 9 -8.967 -10.442 -6.175
38 HA2 GLY 9 1HA GLY 9 -9.163 -9.040 -4.051
39 HA3 GLY 9 2HA GLY 9 -7.691 -8.276 -4.632
40 H GLU 10 H GLU 10 -8.039 -7.761 -7.188
41 HA GLU 10 HA GLU 10 -9.014 -6.351 -8.684
42 HB2 GLU 10 1HB GLU 10 -10.862 -8.065 -8.483
43 HB3 GLU 10 2HB GLU 10 -11.629 -6.992 -7.321
44 HG2 GLU 10 1HG GLU 10 -12.110 -5.389 -8.919
45 HG3 GLU 10 2HG GLU 10 -10.887 -5.992 -10.036
46 H LYS 11 H LYS 11 -7.900 -5.200 -6.426
47 HA LYS 11 HA LYS 11 -9.567 -3.388 -5.067
48 HB2 LYS 11 1HB LYS 11 -7.167 -4.083 -4.507
49 HB3 LYS 11 2HB LYS 11 -6.662 -2.889 -5.696
50 HG2 LYS 11 1HG LYS 11 -6.535 -1.846 -3.581
51 HG3 LYS 11 2HG LYS 11 -7.962 -1.185 -4.384
52 HD2 LYS 11 1HD LYS 11 -9.304 -2.936 -3.139
53 HD3 LYS 11 2HD LYS 11 -7.849 -3.240 -2.187
54 HE2 LYS 11 1HE LYS 11 -7.850 -1.032 -1.322
55 HE3 LYS 11 2HE LYS 11 -9.070 -0.505 -2.480
56 HZ1 LYS 11 3HZ LYS 11 -10.141 -2.642 -1.053
57 HZ2 LYS 11 1HZ LYS 11 -10.610 -1.017 -0.997
58 HZ3 LYS 11 2HZ LYS 11 -9.445 -1.598 0.082
59 HA PRO 12 HA PRO 12 -10.443 -0.426 -8.224
60 HB2 PRO 12 1HB PRO 12 -11.280 1.594 -6.614
61 HB3 PRO 12 2HB PRO 12 -12.259 0.160 -6.945
62 HG2 PRO 12 1HG PRO 12 -10.551 0.779 -4.566
63 HG3 PRO 12 2HG PRO 12 -12.173 0.065 -4.623
64 HD2 PRO 12 1HD PRO 12 -9.937 -1.423 -4.280
65 HD3 PRO 12 2HD PRO 12 -11.368 -2.033 -5.136
66 H TYR 13 H TYR 13 -7.916 -0.250 -6.036
67 HA TYR 13 HA TYR 13 -6.582 1.779 -7.589
68 HB2 TYR 13 1HB TYR 13 -6.999 2.265 -4.634
69 HB3 TYR 13 2HB TYR 13 -6.119 3.296 -5.757
70 HD1 TYR 13 HD2 TYR 13 -7.399 4.464 -7.588
71 HD2 TYR 13 HD1 TYR 13 -9.334 2.476 -4.363
72 HE1 TYR 13 HE2 TYR 13 -9.461 5.717 -8.061
73 HE2 TYR 13 HE1 TYR 13 -11.403 3.722 -4.828
74 HH TYR 13 HH TYR 13 -11.862 6.139 -6.041
75 H ILE 14 H ILE 14 -4.626 0.978 -7.915
76 HA ILE 14 HA ILE 14 -3.237 -0.333 -5.682
77 HB ILE 14 HB ILE 14 -3.352 -1.360 -8.519
78 HG12 ILE 14 1HG1 ILE 14 -5.313 -1.896 -7.086
79 HG13 ILE 14 2HG1 ILE 14 -4.398 -3.324 -7.559
80 HG21 ILE 14 1HG2 ILE 14 -2.048 -3.175 -6.788
81 HG22 ILE 14 2HG2 ILE 14 -1.381 -2.316 -8.175
82 HG23 ILE 14 3HG2 ILE 14 -1.293 -1.597 -6.567
83 HD11 ILE 14 3HD1 ILE 14 -3.212 -2.757 -5.214
84 HD12 ILE 14 1HD1 ILE 14 -4.838 -2.149 -4.903
85 HD13 ILE 14 2HD1 ILE 14 -4.601 -3.830 -5.384
86 H CYS 15 H CYS 15 -1.638 1.055 -5.252
87 HA CYS 15 HA CYS 15 -0.490 2.978 -6.764
88 HB2 CYS 15 1HB CYS 15 0.200 2.872 -4.522
89 HB3 CYS 15 2HB CYS 15 0.710 1.192 -4.664
90 H ALA 16 H ALA 16 0.499 3.027 -8.661
91 HA ALA 16 HA ALA 16 1.641 0.569 -9.751
92 HB1 ALA 16 3HB ALA 16 1.570 3.059 -11.357
93 HB2 ALA 16 1HB ALA 16 1.230 1.393 -11.827
94 HB3 ALA 16 2HB ALA 16 0.025 2.320 -10.932
95 H GLU 17 H GLU 17 3.108 1.737 -7.662
96 HA GLU 17 HA GLU 17 5.545 2.505 -9.111
97 HB2 GLU 17 1HB GLU 17 4.240 3.907 -6.818
98 HB3 GLU 17 2HB GLU 17 5.995 3.902 -6.919
99 HG2 GLU 17 1HG GLU 17 4.328 4.738 -9.256
100 HG3 GLU 17 2HG GLU 17 4.695 5.863 -7.949
101 H CYS 18 H CYS 18 4.055 1.036 -6.301
102 HA CYS 18 HA CYS 18 6.541 -0.466 -5.843
103 HB2 CYS 18 1HB CYS 18 6.333 -0.277 -3.474
104 HB3 CYS 18 2HB CYS 18 6.186 1.352 -4.125
105 H GLY 19 H GLY 19 3.032 -0.316 -5.417
106 HA2 GLY 19 1HA GLY 19 1.851 -2.339 -6.273
107 HA3 GLY 19 2HA GLY 19 3.013 -3.271 -5.340
108 H LYS 20 H LYS 20 1.708 -0.311 -4.072
109 HA LYS 20 HA LYS 20 0.532 -1.776 -1.865
110 HB2 LYS 20 1HB LYS 20 1.890 0.498 -1.854
111 HB3 LYS 20 2HB LYS 20 0.296 1.189 -2.128
112 HG2 LYS 20 1HG LYS 20 0.339 1.247 0.139
113 HG3 LYS 20 2HG LYS 20 -0.334 -0.369 -0.087
114 HD2 LYS 20 1HD LYS 20 2.624 -0.087 0.019
115 HD3 LYS 20 2HD LYS 20 1.720 0.078 1.526
116 HE2 LYS 20 1HE LYS 20 0.609 -2.109 0.972
117 HE3 LYS 20 2HE LYS 20 1.758 -2.276 -0.355
118 HZ1 LYS 20 3HZ LYS 20 3.472 -2.672 1.056
119 HZ2 LYS 20 1HZ LYS 20 2.222 -3.275 2.024
120 HZ3 LYS 20 2HZ LYS 20 2.836 -1.724 2.304
121 H ALA 21 H ALA 21 -1.646 -1.472 -1.147
122 HA ALA 21 HA ALA 21 -3.497 -0.798 -3.341
123 HB1 ALA 21 3HB ALA 21 -4.136 -2.931 -3.113
124 HB2 ALA 21 1HB ALA 21 -3.359 -3.094 -1.537
125 HB3 ALA 21 2HB ALA 21 -4.965 -2.373 -1.659
126 H PHE 22 H PHE 22 -5.264 0.474 -2.913
127 HA PHE 22 HA PHE 22 -5.712 1.383 -0.173
128 HB2 PHE 22 1HB PHE 22 -4.987 3.158 -2.497
129 HB3 PHE 22 2HB PHE 22 -5.871 3.770 -1.103
130 HD1 PHE 22 HD2 PHE 22 -2.689 2.278 -2.211
131 HD2 PHE 22 HD1 PHE 22 -4.778 4.226 0.944
132 HE1 PHE 22 HE2 PHE 22 -0.564 2.619 -1.019
133 HE2 PHE 22 HE1 PHE 22 -2.656 4.571 2.141
134 HZ PHE 22 HZ PHE 22 -0.546 3.767 1.160
135 H THR 23 H THR 23 -7.747 2.567 0.076
136 HA THR 23 HA THR 23 -9.795 1.418 -1.642
137 HB THR 23 HB THR 23 -10.070 3.032 0.902
138 HG1 THR 23 HG1 THR 23 -10.113 0.239 0.358
139 HG21 THR 23 3HG2 THR 23 -12.195 3.270 0.218
140 HG22 THR 23 1HG2 THR 23 -12.363 1.555 0.589
141 HG23 THR 23 2HG2 THR 23 -12.012 2.070 -1.061
142 H ILE 24 H ILE 24 -8.927 4.646 -0.405
143 HA ILE 24 HA ILE 24 -10.645 5.889 -2.405
144 HB ILE 24 HB ILE 24 -8.916 7.423 -0.497
145 HG12 ILE 24 1HG1 ILE 24 -11.634 6.287 0.184
146 HG13 ILE 24 2HG1 ILE 24 -10.114 5.619 0.767
147 HG21 ILE 24 1HG2 ILE 24 -10.213 8.551 -2.303
148 HG22 ILE 24 2HG2 ILE 24 -11.689 7.966 -1.539
149 HG23 ILE 24 3HG2 ILE 24 -10.632 9.082 -0.675
150 HD11 ILE 24 3HD1 ILE 24 -11.633 7.903 1.708
151 HD12 ILE 24 1HD1 ILE 24 -10.389 6.953 2.520
152 HD13 ILE 24 2HD1 ILE 24 -9.928 8.273 1.445
153 H ARG 25 H ARG 25 -9.890 7.440 -3.906
154 HA ARG 25 HA ARG 25 -7.477 6.749 -5.198
155 HB2 ARG 25 1HB ARG 25 -9.478 7.718 -6.327
156 HB3 ARG 25 2HB ARG 25 -9.115 9.261 -5.566
157 HG2 ARG 25 1HG ARG 25 -7.030 9.415 -6.762
158 HG3 ARG 25 2HG ARG 25 -7.266 7.803 -7.441
159 HD2 ARG 25 1HD ARG 25 -9.010 10.215 -7.931
160 HD3 ARG 25 2HD ARG 25 -7.841 9.534 -9.061
161 HE ARG 25 HE ARG 25 -9.324 7.833 -9.542
162 HH11 ARG 25 1HH1 ARG 25 -10.467 9.692 -6.830
163 HH12 ARG 25 2HH1 ARG 25 -12.044 8.975 -6.836
164 HH21 ARG 25 1HH2 ARG 25 -11.397 6.882 -9.561
165 HH22 ARG 25 2HH2 ARG 25 -12.572 7.376 -8.389
166 H SER 26 H SER 26 -8.392 9.556 -3.225
167 HA SER 26 HA SER 26 -5.960 10.941 -3.447
168 HB2 SER 26 1HB SER 26 -6.695 12.161 -1.427
169 HB3 SER 26 2HB SER 26 -7.997 12.008 -2.607
170 HG SER 26 HG SER 26 -9.098 11.049 -1.112
171 H ASN 27 H ASN 27 -7.131 8.805 -0.844
172 HA ASN 27 HA ASN 27 -5.021 8.841 0.871
173 HB2 ASN 27 1HB ASN 27 -6.902 6.666 0.045
174 HB3 ASN 27 2HB ASN 27 -5.565 6.273 1.122
175 HD21 ASN 27 1HD2 ASN 27 -7.257 5.742 2.639
176 HD22 ASN 27 2HD2 ASN 27 -7.978 6.998 3.581
177 H LEU 28 H LEU 28 -5.175 7.255 -2.249
178 HA LEU 28 HA LEU 28 -2.735 5.793 -1.929
179 HB2 LEU 28 1HB LEU 28 -4.272 4.894 -3.461
180 HB3 LEU 28 2HB LEU 28 -4.494 6.443 -4.272
181 HG LEU 28 HG LEU 28 -2.087 6.214 -5.050
182 HD11 LEU 28 1HD1 LEU 28 -1.049 4.597 -3.824
183 HD12 LEU 28 2HD1 LEU 28 -1.567 3.632 -5.205
184 HD13 LEU 28 3HD1 LEU 28 -2.496 3.596 -3.706
185 HD21 LEU 28 3HD2 LEU 28 -4.345 4.466 -5.950
186 HD22 LEU 28 1HD2 LEU 28 -2.782 4.413 -6.766
187 HD23 LEU 28 2HD2 LEU 28 -3.692 5.923 -6.701
188 H ILE 29 H ILE 29 -3.651 8.766 -3.644
189 HA ILE 29 HA ILE 29 -1.217 9.372 -4.819
190 HB ILE 29 HB ILE 29 -3.217 11.320 -3.665
191 HG12 ILE 29 1HG1 ILE 29 -2.940 10.304 -6.500
192 HG13 ILE 29 2HG1 ILE 29 -4.111 9.684 -5.341
193 HG21 ILE 29 1HG2 ILE 29 -0.941 12.245 -4.152
194 HG22 ILE 29 2HG2 ILE 29 -1.190 11.799 -5.839
195 HG23 ILE 29 3HG2 ILE 29 -2.251 12.982 -5.075
196 HD11 ILE 29 3HD1 ILE 29 -5.041 11.990 -5.171
197 HD12 ILE 29 1HD1 ILE 29 -3.972 12.454 -6.495
198 HD13 ILE 29 2HD1 ILE 29 -5.220 11.235 -6.755
199 H LYS 30 H LYS 30 -2.350 10.065 -1.542
200 HA LYS 30 HA LYS 30 -0.181 11.661 -0.733
201 HB2 LYS 30 1HB LYS 30 -2.229 11.605 0.554
202 HB3 LYS 30 2HB LYS 30 -2.027 9.887 0.874
203 HG2 LYS 30 1HG LYS 30 -0.409 10.227 2.453
204 HG3 LYS 30 2HG LYS 30 0.115 11.757 1.745
205 HD2 LYS 30 1HD LYS 30 -1.845 12.875 2.583
206 HD3 LYS 30 2HD LYS 30 -2.522 11.348 3.153
207 HE2 LYS 30 1HE LYS 30 -1.584 12.542 5.021
208 HE3 LYS 30 2HE LYS 30 -0.596 11.120 4.692
209 HZ1 LYS 30 3HZ LYS 30 0.142 13.867 4.665
210 HZ2 LYS 30 1HZ LYS 30 0.514 13.129 3.189
211 HZ3 LYS 30 2HZ LYS 30 1.128 12.493 4.631
212 H HIS 31 H HIS 31 -0.456 8.277 -1.248
213 HA HIS 31 HA HIS 31 1.865 7.635 0.383
214 HB2 HIS 31 1HB HIS 31 0.394 5.869 0.530
215 HB3 HIS 31 2HB HIS 31 -0.176 6.067 -1.125
216 HD1 HIS 31 HD1 HIS 31 2.431 4.363 0.914
217 HD2 HIS 31 HD2 HIS 31 1.372 4.757 -3.084
218 HE1 HIS 31 HE1 HIS 31 3.745 2.600 -0.306
219 H GLN 32 H GLN 32 0.951 7.211 -3.041
220 HA GLN 32 HA GLN 32 3.259 6.364 -4.144
221 HB2 GLN 32 1HB GLN 32 1.516 8.560 -5.272
222 HB3 GLN 32 2HB GLN 32 2.660 7.593 -6.193
223 HG2 GLN 32 1HG GLN 32 1.246 5.599 -5.231
224 HG3 GLN 32 2HG GLN 32 0.011 6.848 -5.074
225 HE21 GLN 32 1HE2 GLN 32 1.644 4.737 -7.177
226 HE22 GLN 32 2HE2 GLN 32 0.887 5.234 -8.648
227 H LYS 33 H LYS 33 2.719 9.461 -2.702
228 HA LYS 33 HA LYS 33 4.701 11.015 -3.852
229 HB2 LYS 33 1HB LYS 33 3.585 10.942 -1.057
230 HB3 LYS 33 2HB LYS 33 4.805 12.116 -1.532
231 HG2 LYS 33 1HG LYS 33 2.308 11.839 -3.143
232 HG3 LYS 33 2HG LYS 33 2.290 12.745 -1.628
233 HD2 LYS 33 1HD LYS 33 4.322 13.279 -3.777
234 HD3 LYS 33 2HD LYS 33 2.736 14.054 -3.778
235 HE2 LYS 33 1HE LYS 33 3.174 15.018 -1.599
236 HE3 LYS 33 2HE LYS 33 4.718 14.173 -1.507
237 HZ1 LYS 33 3HZ LYS 33 5.277 16.304 -2.192
238 HZ2 LYS 33 1HZ LYS 33 3.959 16.435 -3.245
239 HZ3 LYS 33 2HZ LYS 33 5.263 15.434 -3.642
240 H ILE 34 H ILE 34 4.965 8.786 -1.098
241 HA ILE 34 HA ILE 34 7.538 9.186 -0.296
242 HB ILE 34 HB ILE 34 7.608 6.950 0.508
243 HG12 ILE 34 1HG1 ILE 34 5.340 6.286 -1.381
244 HG13 ILE 34 2HG1 ILE 34 7.027 5.874 -1.668
245 HG21 ILE 34 1HG2 ILE 34 6.052 7.553 1.972
246 HG22 ILE 34 2HG2 ILE 34 5.253 8.562 0.767
247 HG23 ILE 34 3HG2 ILE 34 4.832 6.855 0.906
248 HD11 ILE 34 3HD1 ILE 34 6.658 4.807 0.785
249 HD12 ILE 34 1HD1 ILE 34 5.047 4.622 0.091
250 HD13 ILE 34 2HD1 ILE 34 6.447 3.929 -0.729
251 H HIS 35 H HIS 35 6.488 7.963 -3.334
252 HA HIS 35 HA HIS 35 9.081 6.832 -4.004
253 HB2 HIS 35 1HB HIS 35 6.635 7.171 -5.751
254 HB3 HIS 35 2HB HIS 35 8.053 6.191 -6.113
255 HD1 HIS 35 HD1 HIS 35 8.419 4.544 -3.649
256 HD2 HIS 35 HD2 HIS 35 4.666 5.408 -5.208
257 HE1 HIS 35 HE1 HIS 35 6.896 2.746 -2.771
258 H THR 36 H THR 36 7.148 9.677 -4.683
259 HA THR 36 HA THR 36 8.861 10.667 -6.756
260 HB THR 36 HB THR 36 7.555 12.710 -6.645
261 HG1 THR 36 HG1 THR 36 7.001 13.196 -4.640
262 HG21 THR 36 3HG2 THR 36 5.973 11.650 -7.798
263 HG22 THR 36 1HG2 THR 36 5.232 11.096 -6.297
264 HG23 THR 36 2HG2 THR 36 6.477 10.121 -7.079
265 H LYS 37 H LYS 37 8.536 11.186 -3.289
266 HA LYS 37 HA LYS 37 9.904 13.397 -2.701
267 HB2 LYS 37 1HB LYS 37 10.170 10.661 -1.479
268 HB3 LYS 37 2HB LYS 37 11.045 12.040 -0.826
269 HG2 LYS 37 1HG LYS 37 8.112 12.288 -1.247
270 HG3 LYS 37 2HG LYS 37 8.701 11.339 0.120
271 HD2 LYS 37 1HD LYS 37 9.909 13.223 0.985
272 HD3 LYS 37 2HD LYS 37 9.555 14.173 -0.460
273 HE2 LYS 37 1HE LYS 37 7.145 14.033 0.096
274 HE3 LYS 37 2HE LYS 37 7.567 13.190 1.586
275 HZ1 LYS 37 3HZ LYS 37 7.506 15.956 1.099
276 HZ2 LYS 37 1HZ LYS 37 9.097 15.516 1.473
277 HZ3 LYS 37 2HZ LYS 37 7.843 15.148 2.547
278 H GLN 38 H GLN 38 11.568 10.322 -3.413
279 HA GLN 38 HA GLN 38 14.105 11.693 -3.666
280 HB2 GLN 38 1HB GLN 38 13.226 8.829 -3.767
281 HB3 GLN 38 2HB GLN 38 14.813 9.281 -4.375
282 HG2 GLN 38 1HG GLN 38 15.476 10.110 -2.240
283 HG3 GLN 38 2HG GLN 38 13.842 9.925 -1.605
284 HE21 GLN 38 1HE2 GLN 38 14.301 8.525 0.018
285 HE22 GLN 38 2HE2 GLN 38 14.883 6.918 -0.232
286 H LYS 39 H LYS 39 13.305 13.053 -5.459
287 HA LYS 39 HA LYS 39 13.824 11.723 -8.020
288 HB2 LYS 39 1HB LYS 39 11.347 11.986 -7.661
289 HB3 LYS 39 2HB LYS 39 11.595 13.727 -7.638
290 HG2 LYS 39 1HG LYS 39 12.519 13.590 -9.923
291 HG3 LYS 39 2HG LYS 39 12.152 11.863 -9.937
292 HD2 LYS 39 1HD LYS 39 9.746 12.681 -9.298
293 HD3 LYS 39 2HD LYS 39 10.298 14.204 -10.000
294 HE2 LYS 39 1HE LYS 39 9.182 12.900 -11.693
295 HE3 LYS 39 2HE LYS 39 10.902 12.989 -12.065
296 HZ1 LYS 39 3HZ LYS 39 9.866 10.702 -10.534
297 HZ2 LYS 39 1HZ LYS 39 11.222 10.791 -11.543
298 HZ3 LYS 39 2HZ LYS 39 9.670 10.735 -12.214
299 HA PRO 40 HA PRO 40 16.541 15.151 -8.577
300 HB2 PRO 40 1HB PRO 40 16.896 14.945 -11.260
301 HB3 PRO 40 2HB PRO 40 17.638 13.832 -10.105
302 HG2 PRO 40 1HG PRO 40 15.172 13.475 -11.763
303 HG3 PRO 40 2HG PRO 40 16.477 12.320 -11.437
304 HD2 PRO 40 1HD PRO 40 14.105 12.245 -10.132
305 HD3 PRO 40 2HD PRO 40 15.631 11.757 -9.368
306 H SER 41 H SER 41 16.632 17.243 -9.522
307 HA SER 41 HA SER 41 13.997 18.269 -10.270
308 HB2 SER 41 1HB SER 41 16.499 19.532 -9.185
309 HB3 SER 41 2HB SER 41 15.261 20.522 -9.957
310 HG SER 41 HG SER 41 13.880 19.110 -8.366
311 H GLY 42 H GLY 42 13.519 18.676 -12.320
312 HA2 GLY 42 1HA GLY 42 14.088 19.937 -14.335
313 HA3 GLY 42 2HA GLY 42 15.729 19.331 -14.167
314 HA PRO 43 HA PRO 43 13.083 16.640 -17.037
315 HB2 PRO 43 1HB PRO 43 14.302 17.300 -19.371
316 HB3 PRO 43 2HB PRO 43 12.896 18.167 -18.743
317 HG2 PRO 43 1HG PRO 43 15.795 18.895 -18.586
318 HG3 PRO 43 2HG PRO 43 14.400 19.928 -18.947
319 HD2 PRO 43 1HD PRO 43 15.566 19.857 -16.504
320 HD3 PRO 43 2HD PRO 43 13.829 20.150 -16.725
321 H SER 44 H SER 44 16.275 17.093 -16.078
322 HA SER 44 HA SER 44 17.937 15.556 -17.506
323 HB2 SER 44 1HB SER 44 18.349 16.595 -15.210
324 HB3 SER 44 2HB SER 44 17.694 15.106 -14.531
325 HG SER 44 HG SER 44 19.412 14.012 -15.215
326 H SER 45 H SER 45 18.058 13.540 -18.251
327 HA SER 45 HA SER 45 16.273 11.512 -17.072
328 HB2 SER 45 1HB SER 45 17.079 11.778 -19.979
329 HB3 SER 45 2HB SER 45 16.027 10.532 -19.307
330 HG SER 45 HG SER 45 15.421 13.264 -18.981
331 H GLY 46 H GLY 46 18.850 11.884 -16.111
332 HA2 GLY 46 1HA GLY 46 19.965 9.267 -16.628
333 HA3 GLY 46 2HA GLY 46 20.985 10.596 -17.160
Start of MODEL 12
1 H1 GLY 1 H GLY 1 8.843 -14.297 -10.332
2 HA2 GLY 1 1HA GLY 1 10.062 -14.874 -12.932
3 HA3 GLY 1 2HA GLY 1 9.568 -16.239 -11.942
4 H SER 2 H SER 2 8.544 -15.768 -14.497
5 HA SER 2 HA SER 2 6.305 -14.353 -14.925
6 HB2 SER 2 1HB SER 2 5.549 -16.046 -16.433
7 HB3 SER 2 2HB SER 2 7.311 -16.119 -16.441
8 HG SER 2 HG SER 2 5.453 -17.925 -15.407
9 H SER 3 H SER 3 6.457 -17.318 -12.993
10 HA SER 3 HA SER 3 4.861 -18.366 -11.712
11 HB2 SER 3 1HB SER 3 5.049 -15.524 -10.841
12 HB3 SER 3 2HB SER 3 3.766 -16.508 -10.137
13 HG SER 3 HG SER 3 6.365 -16.483 -9.533
14 H GLY 4 H GLY 4 3.840 -17.913 -14.254
15 HA2 GLY 4 1HA GLY 4 1.804 -18.090 -15.316
16 HA3 GLY 4 2HA GLY 4 1.040 -18.053 -13.734
17 H SER 5 H SER 5 -0.583 -16.630 -14.123
18 HA SER 5 HA SER 5 0.219 -13.917 -14.952
19 HB2 SER 5 1HB SER 5 -2.126 -15.593 -15.727
20 HB3 SER 5 2HB SER 5 -2.360 -13.850 -15.590
21 HG SER 5 HG SER 5 -0.749 -13.545 -17.120
22 H SER 6 H SER 6 0.406 -12.890 -13.035
23 HA SER 6 HA SER 6 -0.786 -13.277 -10.652
24 HB2 SER 6 1HB SER 6 -0.413 -10.524 -11.852
25 HB3 SER 6 2HB SER 6 -0.432 -10.937 -10.138
26 HG SER 6 HG SER 6 1.663 -11.002 -10.484
27 H GLY 7 H GLY 7 -2.598 -12.322 -9.530
28 HA2 GLY 7 1HA GLY 7 -4.651 -10.819 -10.428
29 HA3 GLY 7 2HA GLY 7 -4.989 -12.381 -11.159
30 H THR 8 H THR 8 -4.162 -10.967 -7.997
31 HA THR 8 HA THR 8 -6.003 -12.913 -6.765
32 HB THR 8 HB THR 8 -3.635 -11.550 -5.468
33 HG1 THR 8 HG1 THR 8 -3.591 -13.545 -7.108
34 HG21 THR 8 3HG2 THR 8 -4.152 -12.628 -3.505
35 HG22 THR 8 1HG2 THR 8 -5.049 -13.910 -4.317
36 HG23 THR 8 2HG2 THR 8 -5.772 -12.313 -4.126
37 H GLY 9 H GLY 9 -7.889 -11.906 -6.422
38 HA2 GLY 9 1HA GLY 9 -9.349 -10.492 -5.310
39 HA3 GLY 9 2HA GLY 9 -7.964 -9.652 -4.630
40 H GLU 10 H GLU 10 -9.816 -7.978 -5.233
41 HA GLU 10 HA GLU 10 -8.891 -6.703 -7.699
42 HB2 GLU 10 1HB GLU 10 -11.802 -7.086 -6.979
43 HB3 GLU 10 2HB GLU 10 -11.211 -6.100 -8.309
44 HG2 GLU 10 1HG GLU 10 -11.889 -8.126 -9.270
45 HG3 GLU 10 2HG GLU 10 -10.129 -8.194 -9.213
46 H LYS 11 H LYS 11 -8.318 -4.676 -7.309
47 HA LYS 11 HA LYS 11 -9.631 -3.238 -5.098
48 HB2 LYS 11 1HB LYS 11 -6.715 -3.111 -5.888
49 HB3 LYS 11 2HB LYS 11 -7.475 -2.118 -4.651
50 HG2 LYS 11 1HG LYS 11 -7.736 -5.056 -4.383
51 HG3 LYS 11 2HG LYS 11 -6.148 -4.344 -4.083
52 HD2 LYS 11 1HD LYS 11 -6.992 -4.137 -1.987
53 HD3 LYS 11 2HD LYS 11 -7.650 -2.645 -2.664
54 HE2 LYS 11 1HE LYS 11 -9.442 -3.702 -1.545
55 HE3 LYS 11 2HE LYS 11 -9.710 -3.979 -3.265
56 HZ1 LYS 11 3HZ LYS 11 -9.967 -5.933 -1.640
57 HZ2 LYS 11 1HZ LYS 11 -8.276 -5.976 -1.639
58 HZ3 LYS 11 2HZ LYS 11 -9.126 -6.193 -3.085
59 HA PRO 12 HA PRO 12 -10.533 -0.080 -8.023
60 HB2 PRO 12 1HB PRO 12 -10.712 2.055 -6.355
61 HB3 PRO 12 2HB PRO 12 -11.945 0.791 -6.434
62 HG2 PRO 12 1HG PRO 12 -9.721 1.147 -4.462
63 HG3 PRO 12 2HG PRO 12 -11.412 0.696 -4.172
64 HD2 PRO 12 1HD PRO 12 -9.407 -1.123 -4.223
65 HD3 PRO 12 2HD PRO 12 -11.056 -1.505 -4.757
66 H TYR 13 H TYR 13 -7.889 0.423 -5.743
67 HA TYR 13 HA TYR 13 -6.396 1.799 -7.850
68 HB2 TYR 13 1HB TYR 13 -6.468 2.849 -5.019
69 HB3 TYR 13 2HB TYR 13 -5.700 3.590 -6.419
70 HD1 TYR 13 HD2 TYR 13 -7.095 4.621 -8.191
71 HD2 TYR 13 HD1 TYR 13 -8.797 3.144 -4.582
72 HE1 TYR 13 HE2 TYR 13 -9.140 5.912 -8.634
73 HE2 TYR 13 HE1 TYR 13 -10.848 4.430 -5.016
74 HH TYR 13 HH TYR 13 -11.881 5.847 -6.372
75 H ILE 14 H ILE 14 -4.286 1.255 -7.932
76 HA ILE 14 HA ILE 14 -3.063 -0.087 -5.637
77 HB ILE 14 HB ILE 14 -3.096 -1.254 -8.423
78 HG12 ILE 14 1HG1 ILE 14 -4.184 -2.393 -5.841
79 HG13 ILE 14 2HG1 ILE 14 -5.170 -1.579 -7.051
80 HG21 ILE 14 1HG2 ILE 14 -1.592 -2.881 -7.730
81 HG22 ILE 14 2HG2 ILE 14 -0.950 -1.411 -6.999
82 HG23 ILE 14 3HG2 ILE 14 -1.871 -2.552 -6.020
83 HD11 ILE 14 3HD1 ILE 14 -5.420 -3.493 -8.117
84 HD12 ILE 14 1HD1 ILE 14 -3.677 -3.585 -8.370
85 HD13 ILE 14 2HD1 ILE 14 -4.398 -4.300 -6.928
86 H CYS 15 H CYS 15 -1.032 0.559 -5.300
87 HA CYS 15 HA CYS 15 0.161 2.473 -7.085
88 HB2 CYS 15 1HB CYS 15 0.273 2.602 -4.571
89 HB3 CYS 15 2HB CYS 15 1.381 1.234 -4.613
90 H ALA 16 H ALA 16 0.472 1.156 -8.958
91 HA ALA 16 HA ALA 16 1.763 -1.224 -9.224
92 HB1 ALA 16 3HB ALA 16 2.556 -0.408 -11.437
93 HB2 ALA 16 1HB ALA 16 0.844 -0.109 -11.135
94 HB3 ALA 16 2HB ALA 16 2.009 1.207 -10.987
95 H GLU 17 H GLU 17 3.261 1.942 -8.740
96 HA GLU 17 HA GLU 17 5.883 1.528 -9.205
97 HB2 GLU 17 1HB GLU 17 4.490 2.994 -6.998
98 HB3 GLU 17 2HB GLU 17 6.244 2.880 -6.984
99 HG2 GLU 17 1HG GLU 17 4.682 3.921 -9.329
100 HG3 GLU 17 2HG GLU 17 5.288 4.949 -8.032
101 H CYS 18 H CYS 18 4.442 0.839 -6.012
102 HA CYS 18 HA CYS 18 6.637 -1.039 -5.501
103 HB2 CYS 18 1HB CYS 18 5.768 -0.936 -3.122
104 HB3 CYS 18 2HB CYS 18 6.445 0.562 -3.753
105 H GLY 19 H GLY 19 3.096 -0.797 -5.239
106 HA2 GLY 19 1HA GLY 19 1.869 -2.726 -6.222
107 HA3 GLY 19 2HA GLY 19 3.002 -3.749 -5.352
108 H LYS 20 H LYS 20 1.216 -0.859 -4.312
109 HA LYS 20 HA LYS 20 0.174 -2.430 -2.058
110 HB2 LYS 20 1HB LYS 20 0.926 0.425 -2.421
111 HB3 LYS 20 2HB LYS 20 -0.406 0.075 -1.327
112 HG2 LYS 20 1HG LYS 20 0.975 -1.255 0.069
113 HG3 LYS 20 2HG LYS 20 2.288 -1.242 -1.111
114 HD2 LYS 20 1HD LYS 20 2.264 1.308 -0.811
115 HD3 LYS 20 2HD LYS 20 1.305 0.993 0.637
116 HE2 LYS 20 1HE LYS 20 3.232 -0.697 1.173
117 HE3 LYS 20 2HE LYS 20 4.150 0.304 0.050
118 HZ1 LYS 20 3HZ LYS 20 3.379 2.243 1.461
119 HZ2 LYS 20 1HZ LYS 20 4.537 1.218 2.149
120 HZ3 LYS 20 2HZ LYS 20 2.916 1.098 2.617
121 H ALA 21 H ALA 21 -2.022 -1.706 -1.264
122 HA ALA 21 HA ALA 21 -3.791 -1.058 -3.530
123 HB1 ALA 21 3HB ALA 21 -5.084 -2.741 -1.572
124 HB2 ALA 21 1HB ALA 21 -4.927 -2.956 -3.316
125 HB3 ALA 21 2HB ALA 21 -3.648 -3.518 -2.239
126 H PHE 22 H PHE 22 -5.078 0.624 -3.177
127 HA PHE 22 HA PHE 22 -5.605 1.421 -0.389
128 HB2 PHE 22 1HB PHE 22 -5.202 3.165 -2.826
129 HB3 PHE 22 2HB PHE 22 -5.758 3.763 -1.267
130 HD1 PHE 22 HD2 PHE 22 -2.962 1.784 -2.739
131 HD2 PHE 22 HD1 PHE 22 -4.204 4.597 0.205
132 HE1 PHE 22 HE2 PHE 22 -0.626 2.053 -2.015
133 HE2 PHE 22 HE1 PHE 22 -1.870 4.871 0.933
134 HZ PHE 22 HZ PHE 22 -0.078 3.597 -0.176
135 H THR 23 H THR 23 -7.588 2.901 -0.252
136 HA THR 23 HA THR 23 -9.746 1.650 -1.811
137 HB THR 23 HB THR 23 -9.956 3.105 0.832
138 HG1 THR 23 HG1 THR 23 -9.778 0.345 0.175
139 HG21 THR 23 3HG2 THR 23 -11.981 3.046 -0.703
140 HG22 THR 23 1HG2 THR 23 -12.207 2.379 0.913
141 HG23 THR 23 2HG2 THR 23 -11.988 1.299 -0.463
142 H ILE 24 H ILE 24 -8.893 4.784 -0.336
143 HA ILE 24 HA ILE 24 -10.659 6.138 -2.230
144 HB ILE 24 HB ILE 24 -9.056 7.440 -0.037
145 HG12 ILE 24 1HG1 ILE 24 -11.900 6.439 0.175
146 HG13 ILE 24 2HG1 ILE 24 -10.512 5.576 0.826
147 HG21 ILE 24 1HG2 ILE 24 -11.269 8.251 -1.849
148 HG22 ILE 24 2HG2 ILE 24 -11.219 8.936 -0.226
149 HG23 ILE 24 3HG2 ILE 24 -9.853 9.157 -1.318
150 HD11 ILE 24 3HD1 ILE 24 -10.228 8.105 1.866
151 HD12 ILE 24 1HD1 ILE 24 -11.971 7.838 1.898
152 HD13 ILE 24 2HD1 ILE 24 -10.889 6.700 2.702
153 H ARG 25 H ARG 25 -9.884 6.891 -4.077
154 HA ARG 25 HA ARG 25 -7.449 6.730 -5.146
155 HB2 ARG 25 1HB ARG 25 -9.151 7.620 -6.512
156 HB3 ARG 25 2HB ARG 25 -9.452 8.958 -5.411
157 HG2 ARG 25 1HG ARG 25 -7.654 10.167 -6.167
158 HG3 ARG 25 2HG ARG 25 -6.787 8.733 -6.721
159 HD2 ARG 25 1HD ARG 25 -8.470 8.474 -8.523
160 HD3 ARG 25 2HD ARG 25 -9.212 9.986 -8.001
161 HE ARG 25 HE ARG 25 -7.471 11.151 -8.964
162 HH11 ARG 25 1HH1 ARG 25 -6.752 7.745 -8.923
163 HH12 ARG 25 2HH1 ARG 25 -5.380 7.889 -9.971
164 HH21 ARG 25 1HH2 ARG 25 -5.667 11.354 -10.345
165 HH22 ARG 25 2HH2 ARG 25 -4.762 9.942 -10.778
166 H SER 26 H SER 26 -8.473 9.411 -3.056
167 HA SER 26 HA SER 26 -6.073 10.867 -3.167
168 HB2 SER 26 1HB SER 26 -8.250 10.737 -1.077
169 HB3 SER 26 2HB SER 26 -6.887 11.851 -0.970
170 HG SER 26 HG SER 26 -8.478 11.735 -3.293
171 H ASN 27 H ASN 27 -7.228 8.514 -0.758
172 HA ASN 27 HA ASN 27 -5.142 8.545 1.016
173 HB2 ASN 27 1HB ASN 27 -7.250 7.164 1.165
174 HB3 ASN 27 2HB ASN 27 -6.487 6.007 0.078
175 HD21 ASN 27 1HD2 ASN 27 -7.358 5.333 2.617
176 HD22 ASN 27 2HD2 ASN 27 -5.987 4.952 3.598
177 H LEU 28 H LEU 28 -5.106 7.471 -2.247
178 HA LEU 28 HA LEU 28 -2.666 5.925 -1.934
179 HB2 LEU 28 1HB LEU 28 -4.160 5.005 -3.493
180 HB3 LEU 28 2HB LEU 28 -4.458 6.567 -4.253
181 HG LEU 28 HG LEU 28 -2.074 6.491 -5.075
182 HD11 LEU 28 1HD1 LEU 28 -1.268 4.032 -5.245
183 HD12 LEU 28 2HD1 LEU 28 -2.285 3.784 -3.827
184 HD13 LEU 28 3HD1 LEU 28 -0.960 4.947 -3.769
185 HD21 LEU 28 3HD2 LEU 28 -3.033 5.854 -6.970
186 HD22 LEU 28 1HD2 LEU 28 -4.418 5.260 -6.054
187 HD23 LEU 28 2HD2 LEU 28 -3.072 4.179 -6.417
188 H ILE 29 H ILE 29 -3.720 9.009 -3.275
189 HA ILE 29 HA ILE 29 -1.382 9.769 -4.583
190 HB ILE 29 HB ILE 29 -3.258 11.605 -3.090
191 HG12 ILE 29 1HG1 ILE 29 -4.554 10.235 -4.594
192 HG13 ILE 29 2HG1 ILE 29 -4.386 11.835 -5.310
193 HG21 ILE 29 1HG2 ILE 29 -1.140 12.636 -3.780
194 HG22 ILE 29 2HG2 ILE 29 -1.446 12.133 -5.441
195 HG23 ILE 29 3HG2 ILE 29 -2.514 13.300 -4.663
196 HD11 ILE 29 3HD1 ILE 29 -2.712 9.444 -6.039
197 HD12 ILE 29 1HD1 ILE 29 -4.124 10.006 -6.934
198 HD13 ILE 29 2HD1 ILE 29 -2.692 11.028 -6.814
199 H LYS 30 H LYS 30 -2.363 10.381 -1.219
200 HA LYS 30 HA LYS 30 -0.105 11.821 -0.428
201 HB2 LYS 30 1HB LYS 30 -2.382 11.254 0.796
202 HB3 LYS 30 2HB LYS 30 -1.423 9.958 1.499
203 HG2 LYS 30 1HG LYS 30 0.255 11.948 1.971
204 HG3 LYS 30 2HG LYS 30 -1.235 12.891 1.893
205 HD2 LYS 30 1HD LYS 30 -0.985 12.311 4.161
206 HD3 LYS 30 2HD LYS 30 -2.205 11.201 3.531
207 HE2 LYS 30 1HE LYS 30 -0.825 9.790 4.739
208 HE3 LYS 30 2HE LYS 30 -0.189 9.628 3.103
209 HZ1 LYS 30 3HZ LYS 30 1.454 11.397 3.739
210 HZ2 LYS 30 1HZ LYS 30 1.654 9.907 4.517
211 HZ3 LYS 30 2HZ LYS 30 0.945 11.202 5.341
212 H HIS 31 H HIS 31 -0.421 8.532 -1.232
213 HA HIS 31 HA HIS 31 1.934 7.729 0.294
214 HB2 HIS 31 1HB HIS 31 0.352 6.027 0.398
215 HB3 HIS 31 2HB HIS 31 -0.160 6.262 -1.270
216 HD1 HIS 31 HD1 HIS 31 2.557 4.661 0.776
217 HD2 HIS 31 HD2 HIS 31 1.218 4.775 -3.155
218 HE1 HIS 31 HE1 HIS 31 3.827 2.849 -0.420
219 H GLN 32 H GLN 32 0.860 7.379 -3.094
220 HA GLN 32 HA GLN 32 3.150 6.627 -4.308
221 HB2 GLN 32 1HB GLN 32 1.130 8.654 -5.266
222 HB3 GLN 32 2HB GLN 32 2.406 8.011 -6.291
223 HG2 GLN 32 1HG GLN 32 1.502 5.720 -5.800
224 HG3 GLN 32 2HG GLN 32 0.124 6.514 -5.039
225 HE21 GLN 32 1HE2 GLN 32 -0.636 8.450 -6.575
226 HE22 GLN 32 2HE2 GLN 32 -0.984 7.937 -8.188
227 H LYS 33 H LYS 33 2.528 9.713 -2.857
228 HA LYS 33 HA LYS 33 4.388 11.347 -4.083
229 HB2 LYS 33 1HB LYS 33 4.281 12.734 -2.170
230 HB3 LYS 33 2HB LYS 33 2.706 11.960 -2.282
231 HG2 LYS 33 1HG LYS 33 3.384 10.345 -0.570
232 HG3 LYS 33 2HG LYS 33 4.952 11.146 -0.447
233 HD2 LYS 33 1HD LYS 33 3.562 13.275 0.028
234 HD3 LYS 33 2HD LYS 33 2.248 12.147 0.370
235 HE2 LYS 33 1HE LYS 33 3.298 12.606 2.443
236 HE3 LYS 33 2HE LYS 33 3.813 10.989 1.969
237 HZ1 LYS 33 3HZ LYS 33 5.924 11.758 1.386
238 HZ2 LYS 33 1HZ LYS 33 5.581 12.564 2.834
239 HZ3 LYS 33 2HZ LYS 33 5.442 13.379 1.359
240 H ILE 34 H ILE 34 4.877 9.073 -1.406
241 HA ILE 34 HA ILE 34 7.463 9.599 -0.695
242 HB ILE 34 HB ILE 34 7.671 7.361 0.075
243 HG12 ILE 34 1HG1 ILE 34 5.332 6.577 -1.670
244 HG13 ILE 34 2HG1 ILE 34 7.012 6.330 -2.133
245 HG21 ILE 34 1HG2 ILE 34 5.278 8.867 0.473
246 HG22 ILE 34 2HG2 ILE 34 4.903 7.147 0.559
247 HG23 ILE 34 3HG2 ILE 34 6.141 7.832 1.611
248 HD11 ILE 34 3HD1 ILE 34 5.865 4.334 -1.173
249 HD12 ILE 34 1HD1 ILE 34 7.357 4.798 -0.355
250 HD13 ILE 34 2HD1 ILE 34 5.796 5.192 0.367
251 H HIS 35 H HIS 35 6.322 8.046 -3.611
252 HA HIS 35 HA HIS 35 8.929 7.146 -4.434
253 HB2 HIS 35 1HB HIS 35 6.344 7.376 -5.990
254 HB3 HIS 35 2HB HIS 35 7.803 6.568 -6.556
255 HD1 HIS 35 HD1 HIS 35 8.196 4.196 -5.779
256 HD2 HIS 35 HD2 HIS 35 5.005 6.026 -3.848
257 HE1 HIS 35 HE1 HIS 35 7.049 2.365 -4.492
258 H THR 36 H THR 36 6.897 9.942 -4.983
259 HA THR 36 HA THR 36 8.392 10.997 -7.167
260 HB THR 36 HB THR 36 6.614 12.525 -5.258
261 HG1 THR 36 HG1 THR 36 6.009 11.012 -7.591
262 HG21 THR 36 3HG2 THR 36 6.329 14.063 -7.124
263 HG22 THR 36 1HG2 THR 36 7.389 13.073 -8.126
264 HG23 THR 36 2HG2 THR 36 8.038 13.909 -6.716
265 H LYS 37 H LYS 37 8.627 11.228 -3.691
266 HA LYS 37 HA LYS 37 10.542 13.397 -3.778
267 HB2 LYS 37 1HB LYS 37 9.156 11.845 -1.652
268 HB3 LYS 37 2HB LYS 37 10.700 12.578 -1.238
269 HG2 LYS 37 1HG LYS 37 8.570 14.212 -2.546
270 HG3 LYS 37 2HG LYS 37 8.506 13.881 -0.813
271 HD2 LYS 37 1HD LYS 37 10.966 14.700 -0.818
272 HD3 LYS 37 2HD LYS 37 10.547 15.422 -2.373
273 HE2 LYS 37 1HE LYS 37 8.497 16.358 -1.042
274 HE3 LYS 37 2HE LYS 37 9.524 16.058 0.359
275 HZ1 LYS 37 3HZ LYS 37 10.265 17.728 -1.984
276 HZ2 LYS 37 1HZ LYS 37 11.220 17.463 -0.612
277 HZ3 LYS 37 2HZ LYS 37 9.767 18.319 -0.479
278 H GLN 38 H GLN 38 11.423 11.277 -5.312
279 HA GLN 38 HA GLN 38 13.517 10.022 -3.673
280 HB2 GLN 38 1HB GLN 38 11.901 8.626 -5.110
281 HB3 GLN 38 2HB GLN 38 12.810 9.230 -6.488
282 HG2 GLN 38 1HG GLN 38 14.878 8.343 -5.260
283 HG3 GLN 38 2HG GLN 38 13.729 7.441 -4.272
284 HE21 GLN 38 1HE2 GLN 38 15.477 7.522 -7.152
285 HE22 GLN 38 2HE2 GLN 38 14.756 6.153 -7.921
286 H LYS 39 H LYS 39 12.968 11.748 -6.718
287 HA LYS 39 HA LYS 39 15.829 12.064 -7.134
288 HB2 LYS 39 1HB LYS 39 15.180 13.175 -9.230
289 HB3 LYS 39 2HB LYS 39 14.431 11.591 -9.073
290 HG2 LYS 39 1HG LYS 39 12.467 13.037 -8.038
291 HG3 LYS 39 2HG LYS 39 13.203 14.287 -9.045
292 HD2 LYS 39 1HD LYS 39 11.629 13.320 -10.460
293 HD3 LYS 39 2HD LYS 39 13.129 12.508 -10.914
294 HE2 LYS 39 1HE LYS 39 12.525 10.531 -9.848
295 HE3 LYS 39 2HE LYS 39 11.326 11.331 -8.832
296 HZ1 LYS 39 3HZ LYS 39 10.071 11.760 -10.957
297 HZ2 LYS 39 1HZ LYS 39 10.128 10.148 -10.448
298 HZ3 LYS 39 2HZ LYS 39 11.123 10.672 -11.711
299 HA PRO 40 HA PRO 40 16.090 15.980 -5.130
300 HB2 PRO 40 1HB PRO 40 18.336 16.909 -6.340
301 HB3 PRO 40 2HB PRO 40 18.363 15.643 -5.107
302 HG2 PRO 40 1HG PRO 40 18.488 15.387 -8.087
303 HG3 PRO 40 2HG PRO 40 19.429 14.533 -6.850
304 HD2 PRO 40 1HD PRO 40 17.297 13.415 -8.090
305 HD3 PRO 40 2HD PRO 40 17.729 13.040 -6.409
306 H SER 41 H SER 41 16.813 16.088 -8.627
307 HA SER 41 HA SER 41 14.975 18.369 -8.859
308 HB2 SER 41 1HB SER 41 17.499 18.984 -8.809
309 HB3 SER 41 2HB SER 41 17.537 18.299 -10.434
310 HG SER 41 HG SER 41 17.037 20.679 -10.074
311 H GLY 42 H GLY 42 14.090 15.918 -9.443
312 HA2 GLY 42 1HA GLY 42 14.392 15.596 -12.356
313 HA3 GLY 42 2HA GLY 42 13.819 14.353 -11.253
314 HA PRO 43 HA PRO 43 10.223 16.525 -13.362
315 HB2 PRO 43 1HB PRO 43 9.217 14.319 -14.582
316 HB3 PRO 43 2HB PRO 43 10.430 15.362 -15.333
317 HG2 PRO 43 1HG PRO 43 10.795 12.755 -13.908
318 HG3 PRO 43 2HG PRO 43 11.546 13.323 -15.411
319 HD2 PRO 43 1HD PRO 43 12.831 13.381 -13.028
320 HD3 PRO 43 2HD PRO 43 13.115 14.591 -14.296
321 H SER 44 H SER 44 7.850 15.545 -13.334
322 HA SER 44 HA SER 44 7.242 15.075 -10.593
323 HB2 SER 44 1HB SER 44 5.837 16.243 -12.491
324 HB3 SER 44 2HB SER 44 5.225 14.611 -12.758
325 HG SER 44 HG SER 44 5.293 15.532 -10.132
326 H SER 45 H SER 45 7.033 13.071 -13.517
327 HA SER 45 HA SER 45 7.589 10.682 -12.066
328 HB2 SER 45 1HB SER 45 5.401 9.554 -12.621
329 HB3 SER 45 2HB SER 45 5.294 10.794 -11.372
330 HG SER 45 HG SER 45 4.174 12.048 -12.686
331 H GLY 46 H GLY 46 7.809 8.827 -13.446
332 HA2 GLY 46 1HA GLY 46 9.075 9.214 -15.825
333 HA3 GLY 46 2HA GLY 46 8.209 7.735 -15.438
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -14.772 -24.032 -10.631
2 HA2 GLY 1 1HA GLY 1 -14.250 -26.825 -9.828
3 HA3 GLY 1 2HA GLY 1 -13.267 -25.917 -10.967
4 H SER 2 H SER 2 -12.779 -23.582 -9.717
5 HA SER 2 HA SER 2 -11.865 -24.097 -7.012
6 HB2 SER 2 1HB SER 2 -9.946 -23.575 -9.290
7 HB3 SER 2 2HB SER 2 -9.512 -23.416 -7.588
8 HG SER 2 HG SER 2 -9.671 -25.557 -7.326
9 H SER 3 H SER 3 -12.553 -22.365 -5.957
10 HA SER 3 HA SER 3 -11.647 -19.755 -6.552
11 HB2 SER 3 1HB SER 3 -13.371 -19.956 -8.335
12 HB3 SER 3 2HB SER 3 -14.590 -20.226 -7.090
13 HG SER 3 HG SER 3 -13.427 -17.897 -7.921
14 H GLY 4 H GLY 4 -11.638 -18.612 -4.715
15 HA2 GLY 4 1HA GLY 4 -13.728 -18.757 -2.770
16 HA3 GLY 4 2HA GLY 4 -12.307 -19.655 -2.259
17 H SER 5 H SER 5 -13.680 -17.064 -1.386
18 HA SER 5 HA SER 5 -11.202 -15.603 -0.956
19 HB2 SER 5 1HB SER 5 -13.477 -14.594 -2.595
20 HB3 SER 5 2HB SER 5 -12.685 -13.453 -1.509
21 HG SER 5 HG SER 5 -11.046 -15.053 -3.091
22 H SER 6 H SER 6 -11.150 -15.534 1.191
23 HA SER 6 HA SER 6 -13.364 -15.718 2.894
24 HB2 SER 6 1HB SER 6 -11.787 -14.986 4.681
25 HB3 SER 6 2HB SER 6 -11.135 -16.279 3.674
26 HG SER 6 HG SER 6 -9.748 -14.897 2.760
27 H GLY 7 H GLY 7 -11.477 -12.878 1.879
28 HA2 GLY 7 1HA GLY 7 -13.729 -11.161 1.917
29 HA3 GLY 7 2HA GLY 7 -12.795 -10.946 3.390
30 H THR 8 H THR 8 -11.043 -9.667 3.348
31 HA THR 8 HA THR 8 -10.553 -7.747 1.546
32 HB THR 8 HB THR 8 -8.213 -7.639 2.290
33 HG1 THR 8 HG1 THR 8 -7.455 -9.295 3.707
34 HG21 THR 8 3HG2 THR 8 -10.158 -8.329 4.496
35 HG22 THR 8 1HG2 THR 8 -9.936 -6.742 3.761
36 HG23 THR 8 2HG2 THR 8 -8.637 -7.464 4.710
37 H GLY 9 H GLY 9 -9.492 -7.435 -0.370
38 HA2 GLY 9 1HA GLY 9 -7.809 -9.432 -1.549
39 HA3 GLY 9 2HA GLY 9 -9.406 -9.400 -2.281
40 H GLU 10 H GLU 10 -9.084 -8.512 -4.231
41 HA GLU 10 HA GLU 10 -7.162 -6.545 -4.824
42 HB2 GLU 10 1HB GLU 10 -8.362 -6.291 -6.960
43 HB3 GLU 10 2HB GLU 10 -8.094 -7.980 -6.552
44 HG2 GLU 10 1HG GLU 10 -10.260 -8.063 -7.245
45 HG3 GLU 10 2HG GLU 10 -10.493 -7.791 -5.519
46 H LYS 11 H LYS 11 -7.510 -4.334 -5.483
47 HA LYS 11 HA LYS 11 -9.843 -3.063 -4.217
48 HB2 LYS 11 1HB LYS 11 -6.967 -2.142 -4.074
49 HB3 LYS 11 2HB LYS 11 -8.344 -1.190 -3.535
50 HG2 LYS 11 1HG LYS 11 -8.825 -3.356 -2.101
51 HG3 LYS 11 2HG LYS 11 -7.087 -3.580 -2.307
52 HD2 LYS 11 1HD LYS 11 -6.619 -1.473 -1.294
53 HD3 LYS 11 2HD LYS 11 -8.325 -1.019 -1.311
54 HE2 LYS 11 1HE LYS 11 -7.178 -3.331 0.250
55 HE3 LYS 11 2HE LYS 11 -7.501 -1.733 0.921
56 HZ1 LYS 11 3HZ LYS 11 -9.424 -2.799 1.453
57 HZ2 LYS 11 1HZ LYS 11 -9.384 -3.822 0.106
58 HZ3 LYS 11 2HZ LYS 11 -9.865 -2.210 -0.071
59 HA PRO 12 HA PRO 12 -10.384 -0.895 -7.998
60 HB2 PRO 12 1HB PRO 12 -11.515 1.406 -7.104
61 HB3 PRO 12 2HB PRO 12 -12.374 -0.139 -7.132
62 HG2 PRO 12 1HG PRO 12 -11.010 1.228 -4.845
63 HG3 PRO 12 2HG PRO 12 -12.576 0.396 -4.878
64 HD2 PRO 12 1HD PRO 12 -10.330 -0.761 -3.902
65 HD3 PRO 12 2HD PRO 12 -11.611 -1.691 -4.706
66 H TYR 13 H TYR 13 -8.118 -0.001 -5.737
67 HA TYR 13 HA TYR 13 -6.815 1.781 -7.618
68 HB2 TYR 13 1HB TYR 13 -7.246 2.714 -4.780
69 HB3 TYR 13 2HB TYR 13 -6.540 3.619 -6.114
70 HD1 TYR 13 HD2 TYR 13 -8.025 4.315 -8.028
71 HD2 TYR 13 HD1 TYR 13 -9.576 2.720 -4.401
72 HE1 TYR 13 HE2 TYR 13 -10.236 5.245 -8.571
73 HE2 TYR 13 HE1 TYR 13 -11.792 3.644 -4.936
74 HH TYR 13 HH TYR 13 -12.348 5.978 -7.055
75 H ILE 14 H ILE 14 -4.853 0.948 -7.802
76 HA ILE 14 HA ILE 14 -3.361 0.275 -5.373
77 HB ILE 14 HB ILE 14 -3.537 -1.549 -7.774
78 HG12 ILE 14 1HG1 ILE 14 -4.281 -2.356 -4.994
79 HG13 ILE 14 2HG1 ILE 14 -5.429 -1.405 -5.930
80 HG21 ILE 14 1HG2 ILE 14 -1.296 -1.387 -6.665
81 HG22 ILE 14 2HG2 ILE 14 -2.052 -1.999 -5.195
82 HG23 ILE 14 3HG2 ILE 14 -2.016 -2.996 -6.649
83 HD11 ILE 14 3HD1 ILE 14 -4.363 -3.623 -7.452
84 HD12 ILE 14 1HD1 ILE 14 -5.148 -4.146 -5.962
85 HD13 ILE 14 2HD1 ILE 14 -6.036 -3.167 -7.130
86 H CYS 15 H CYS 15 -1.174 0.642 -5.489
87 HA CYS 15 HA CYS 15 -0.292 2.369 -7.617
88 HB2 CYS 15 1HB CYS 15 0.499 3.036 -5.517
89 HB3 CYS 15 2HB CYS 15 0.918 1.392 -5.047
90 H ALA 16 H ALA 16 1.737 2.032 -8.780
91 HA ALA 16 HA ALA 16 2.083 -0.803 -9.491
92 HB1 ALA 16 3HB ALA 16 1.422 0.233 -11.442
93 HB2 ALA 16 1HB ALA 16 2.284 1.726 -11.067
94 HB3 ALA 16 2HB ALA 16 3.179 0.296 -11.584
95 H GLU 17 H GLU 17 3.812 2.178 -8.731
96 HA GLU 17 HA GLU 17 6.417 1.485 -9.179
97 HB2 GLU 17 1HB GLU 17 5.086 3.177 -7.114
98 HB3 GLU 17 2HB GLU 17 6.797 2.825 -6.922
99 HG2 GLU 17 1HG GLU 17 6.338 4.958 -8.082
100 HG3 GLU 17 2HG GLU 17 7.313 3.832 -9.025
101 H CYS 18 H CYS 18 4.678 0.924 -6.114
102 HA CYS 18 HA CYS 18 6.647 -1.172 -5.483
103 HB2 CYS 18 1HB CYS 18 5.934 -0.870 -3.124
104 HB3 CYS 18 2HB CYS 18 6.614 0.595 -3.825
105 H GLY 19 H GLY 19 3.187 -0.402 -5.439
106 HA2 GLY 19 1HA GLY 19 1.661 -2.113 -6.289
107 HA3 GLY 19 2HA GLY 19 2.653 -3.307 -5.465
108 H LYS 20 H LYS 20 1.696 -0.227 -4.078
109 HA LYS 20 HA LYS 20 0.582 -1.557 -1.787
110 HB2 LYS 20 1HB LYS 20 1.864 0.719 -1.932
111 HB3 LYS 20 2HB LYS 20 0.277 1.380 -2.305
112 HG2 LYS 20 1HG LYS 20 0.260 1.648 -0.055
113 HG3 LYS 20 2HG LYS 20 -0.395 0.011 -0.141
114 HD2 LYS 20 1HD LYS 20 2.560 0.392 0.036
115 HD3 LYS 20 2HD LYS 20 1.579 0.578 1.491
116 HE2 LYS 20 1HE LYS 20 2.015 -1.653 1.628
117 HE3 LYS 20 2HE LYS 20 0.554 -1.713 0.643
118 HZ1 LYS 20 3HZ LYS 20 1.759 -2.842 -0.820
119 HZ2 LYS 20 1HZ LYS 20 3.211 -2.506 -0.018
120 HZ3 LYS 20 2HZ LYS 20 2.598 -1.412 -1.153
121 H ALA 21 H ALA 21 -1.519 -1.836 -1.247
122 HA ALA 21 HA ALA 21 -3.502 -1.211 -3.311
123 HB1 ALA 21 3HB ALA 21 -3.604 -3.482 -2.792
124 HB2 ALA 21 1HB ALA 21 -3.424 -3.193 -1.062
125 HB3 ALA 21 2HB ALA 21 -4.936 -2.782 -1.873
126 H PHE 22 H PHE 22 -4.968 0.339 -3.044
127 HA PHE 22 HA PHE 22 -5.513 1.307 -0.318
128 HB2 PHE 22 1HB PHE 22 -4.982 2.917 -2.812
129 HB3 PHE 22 2HB PHE 22 -5.794 3.600 -1.407
130 HD1 PHE 22 HD1 PHE 22 -4.572 3.623 0.798
131 HD2 PHE 22 HD2 PHE 22 -2.652 2.755 -2.900
132 HE1 PHE 22 HE1 PHE 22 -2.390 4.124 1.818
133 HE2 PHE 22 HE2 PHE 22 -0.467 3.253 -1.886
134 HZ PHE 22 HZ PHE 22 -0.333 3.938 0.476
135 H THR 23 H THR 23 -7.565 2.638 -0.240
136 HA THR 23 HA THR 23 -9.604 1.334 -1.918
137 HB THR 23 HB THR 23 -10.007 2.602 0.797
138 HG1 THR 23 HG1 THR 23 -8.790 0.372 0.311
139 HG21 THR 23 3HG2 THR 23 -11.862 0.605 -0.392
140 HG22 THR 23 1HG2 THR 23 -11.907 2.250 -1.025
141 HG23 THR 23 2HG2 THR 23 -12.199 1.956 0.690
142 H ILE 24 H ILE 24 -8.629 4.413 -0.476
143 HA ILE 24 HA ILE 24 -10.605 5.812 -2.128
144 HB ILE 24 HB ILE 24 -8.825 7.042 -0.031
145 HG12 ILE 24 1HG1 ILE 24 -11.649 6.019 0.326
146 HG13 ILE 24 2HG1 ILE 24 -10.209 5.203 0.925
147 HG21 ILE 24 1HG2 ILE 24 -10.817 8.661 0.008
148 HG22 ILE 24 2HG2 ILE 24 -9.708 8.740 -1.360
149 HG23 ILE 24 3HG2 ILE 24 -11.263 7.926 -1.532
150 HD11 ILE 24 3HD1 ILE 24 -9.838 7.604 2.033
151 HD12 ILE 24 1HD1 ILE 24 -11.599 7.594 1.942
152 HD13 ILE 24 2HD1 ILE 24 -10.752 6.311 2.808
153 H ARG 25 H ARG 25 -9.983 6.594 -4.021
154 HA ARG 25 HA ARG 25 -7.546 6.488 -5.192
155 HB2 ARG 25 1HB ARG 25 -9.535 7.139 -6.421
156 HB3 ARG 25 2HB ARG 25 -9.620 8.658 -5.540
157 HG2 ARG 25 1HG ARG 25 -7.556 9.404 -6.561
158 HG3 ARG 25 2HG ARG 25 -7.386 7.856 -7.391
159 HD2 ARG 25 1HD ARG 25 -8.333 9.105 -9.057
160 HD3 ARG 25 2HD ARG 25 -9.783 8.455 -8.293
161 HE ARG 25 HE ARG 25 -8.879 11.205 -8.273
162 HH11 ARG 25 1HH1 ARG 25 -10.976 8.810 -6.862
163 HH12 ARG 25 2HH1 ARG 25 -12.082 9.974 -6.210
164 HH21 ARG 25 1HH2 ARG 25 -10.328 12.746 -7.420
165 HH22 ARG 25 2HH2 ARG 25 -11.713 12.212 -6.529
166 H SER 26 H SER 26 -8.729 9.087 -3.107
167 HA SER 26 HA SER 26 -6.512 10.807 -3.437
168 HB2 SER 26 1HB SER 26 -8.600 10.553 -1.274
169 HB3 SER 26 2HB SER 26 -7.330 11.775 -1.215
170 HG SER 26 HG SER 26 -9.621 11.818 -2.586
171 H ASN 27 H ASN 27 -7.292 8.405 -0.936
172 HA ASN 27 HA ASN 27 -5.143 8.753 0.750
173 HB2 ASN 27 1HB ASN 27 -6.835 6.402 0.022
174 HB3 ASN 27 2HB ASN 27 -5.394 6.124 0.996
175 HD21 ASN 27 1HD2 ASN 27 -7.780 8.746 0.924
176 HD22 ASN 27 2HD2 ASN 27 -8.210 8.630 2.593
177 H LEU 28 H LEU 28 -5.172 7.500 -2.456
178 HA LEU 28 HA LEU 28 -2.551 6.261 -2.196
179 HB2 LEU 28 1HB LEU 28 -4.103 5.076 -3.554
180 HB3 LEU 28 2HB LEU 28 -4.490 6.524 -4.481
181 HG LEU 28 HG LEU 28 -2.142 6.471 -5.366
182 HD11 LEU 28 1HD1 LEU 28 -1.719 4.644 -3.360
183 HD12 LEU 28 2HD1 LEU 28 -0.646 4.947 -4.726
184 HD13 LEU 28 3HD1 LEU 28 -1.820 3.633 -4.802
185 HD21 LEU 28 3HD2 LEU 28 -3.823 5.722 -6.824
186 HD22 LEU 28 1HD2 LEU 28 -4.082 4.241 -5.903
187 HD23 LEU 28 2HD2 LEU 28 -2.604 4.447 -6.843
188 H ILE 29 H ILE 29 -3.975 9.229 -3.232
189 HA ILE 29 HA ILE 29 -2.018 10.159 -5.008
190 HB ILE 29 HB ILE 29 -3.810 11.694 -3.127
191 HG12 ILE 29 1HG1 ILE 29 -3.983 10.995 -6.062
192 HG13 ILE 29 2HG1 ILE 29 -5.064 10.470 -4.776
193 HG21 ILE 29 1HG2 ILE 29 -2.108 12.722 -5.393
194 HG22 ILE 29 2HG2 ILE 29 -3.304 13.662 -4.503
195 HG23 ILE 29 3HG2 ILE 29 -1.872 13.049 -3.677
196 HD11 ILE 29 3HD1 ILE 29 -6.225 12.140 -5.929
197 HD12 ILE 29 1HD1 ILE 29 -5.631 12.923 -4.465
198 HD13 ILE 29 2HD1 ILE 29 -4.811 13.191 -6.004
199 H LYS 30 H LYS 30 -2.227 10.330 -1.485
200 HA LYS 30 HA LYS 30 0.150 11.911 -1.209
201 HB2 LYS 30 1HB LYS 30 -0.162 11.699 1.135
202 HB3 LYS 30 2HB LYS 30 -1.769 11.840 0.436
203 HG2 LYS 30 1HG LYS 30 -1.953 9.354 0.545
204 HG3 LYS 30 2HG LYS 30 -0.426 9.339 1.431
205 HD2 LYS 30 1HD LYS 30 -1.356 10.209 3.319
206 HD3 LYS 30 2HD LYS 30 -2.552 11.151 2.426
207 HE2 LYS 30 1HE LYS 30 -3.930 9.570 3.310
208 HE3 LYS 30 2HE LYS 30 -3.457 8.728 1.835
209 HZ1 LYS 30 3HZ LYS 30 -1.560 7.831 3.337
210 HZ2 LYS 30 1HZ LYS 30 -3.100 7.135 3.425
211 HZ3 LYS 30 2HZ LYS 30 -2.603 8.241 4.604
212 H HIS 31 H HIS 31 -0.642 8.490 -1.096
213 HA HIS 31 HA HIS 31 1.643 7.441 0.045
214 HB2 HIS 31 1HB HIS 31 0.023 5.843 -0.374
215 HB3 HIS 31 2HB HIS 31 -0.289 6.434 -2.003
216 HD1 HIS 31 HD1 HIS 31 1.887 4.111 -0.074
217 HD2 HIS 31 HD2 HIS 31 1.442 5.429 -3.989
218 HE1 HIS 31 HE1 HIS 31 3.253 2.531 -1.475
219 H GLN 32 H GLN 32 1.123 8.544 -3.262
220 HA GLN 32 HA GLN 32 3.393 7.576 -4.499
221 HB2 GLN 32 1HB GLN 32 1.947 10.197 -4.889
222 HB3 GLN 32 2HB GLN 32 3.229 9.635 -5.953
223 HG2 GLN 32 1HG GLN 32 0.733 8.054 -5.412
224 HG3 GLN 32 2HG GLN 32 0.884 9.208 -6.736
225 HE21 GLN 32 1HE2 GLN 32 0.917 6.065 -6.119
226 HE22 GLN 32 2HE2 GLN 32 2.024 5.505 -7.321
227 H LYS 33 H LYS 33 3.187 9.810 -1.947
228 HA LYS 33 HA LYS 33 5.339 11.503 -2.340
229 HB2 LYS 33 1HB LYS 33 4.045 10.339 0.091
230 HB3 LYS 33 2HB LYS 33 5.537 11.251 0.276
231 HG2 LYS 33 1HG LYS 33 4.307 13.062 -1.112
232 HG3 LYS 33 2HG LYS 33 2.851 12.184 -0.638
233 HD2 LYS 33 1HD LYS 33 4.924 13.191 1.307
234 HD3 LYS 33 2HD LYS 33 3.461 14.080 0.876
235 HE2 LYS 33 1HE LYS 33 2.775 12.996 2.783
236 HE3 LYS 33 2HE LYS 33 2.270 11.849 1.543
237 HZ1 LYS 33 3HZ LYS 33 4.062 10.449 2.014
238 HZ2 LYS 33 1HZ LYS 33 3.502 10.927 3.537
239 HZ3 LYS 33 2HZ LYS 33 4.895 11.634 2.888
240 H ILE 34 H ILE 34 5.315 8.210 -1.036
241 HA ILE 34 HA ILE 34 8.068 8.102 -0.405
242 HB ILE 34 HB ILE 34 7.803 5.715 -0.221
243 HG12 ILE 34 1HG1 ILE 34 4.989 5.794 -1.213
244 HG13 ILE 34 2HG1 ILE 34 6.287 5.766 -2.402
245 HG21 ILE 34 1HG2 ILE 34 6.904 6.927 1.619
246 HG22 ILE 34 2HG2 ILE 34 5.412 7.269 0.744
247 HG23 ILE 34 3HG2 ILE 34 5.777 5.621 1.255
248 HD11 ILE 34 3HD1 ILE 34 6.928 3.646 -1.854
249 HD12 ILE 34 1HD1 ILE 34 6.331 3.773 -0.200
250 HD13 ILE 34 2HD1 ILE 34 5.196 3.554 -1.532
251 H HIS 35 H HIS 35 6.620 8.408 -3.357
252 HA HIS 35 HA HIS 35 8.765 6.949 -4.749
253 HB2 HIS 35 1HB HIS 35 6.089 7.887 -5.804
254 HB3 HIS 35 2HB HIS 35 7.309 7.029 -6.740
255 HD1 HIS 35 HD1 HIS 35 8.003 4.876 -4.568
256 HD2 HIS 35 HD2 HIS 35 4.170 5.926 -5.779
257 HE1 HIS 35 HE1 HIS 35 6.559 2.891 -4.023
258 H THR 36 H THR 36 8.768 9.699 -3.502
259 HA THR 36 HA THR 36 10.178 11.007 -5.634
260 HB THR 36 HB THR 36 8.143 11.859 -6.390
261 HG1 THR 36 HG1 THR 36 8.368 14.008 -5.993
262 HG21 THR 36 3HG2 THR 36 6.646 11.072 -4.706
263 HG22 THR 36 1HG2 THR 36 6.427 12.818 -4.819
264 HG23 THR 36 2HG2 THR 36 7.361 12.131 -3.490
265 H LYS 37 H LYS 37 11.694 12.383 -4.859
266 HA LYS 37 HA LYS 37 11.564 13.059 -1.993
267 HB2 LYS 37 1HB LYS 37 13.270 11.292 -2.652
268 HB3 LYS 37 2HB LYS 37 14.111 12.563 -3.531
269 HG2 LYS 37 1HG LYS 37 15.216 12.475 -1.493
270 HG3 LYS 37 2HG LYS 37 14.106 13.834 -1.303
271 HD2 LYS 37 1HD LYS 37 13.803 12.679 0.678
272 HD3 LYS 37 2HD LYS 37 12.496 12.041 -0.324
273 HE2 LYS 37 1HE LYS 37 15.184 10.706 -0.131
274 HE3 LYS 37 2HE LYS 37 13.873 10.354 0.994
275 HZ1 LYS 37 3HZ LYS 37 14.082 9.735 -1.867
276 HZ2 LYS 37 1HZ LYS 37 12.547 9.991 -1.203
277 HZ3 LYS 37 2HZ LYS 37 13.538 8.764 -0.593
278 H GLN 38 H GLN 38 11.582 15.163 -1.569
279 HA GLN 38 HA GLN 38 11.409 17.217 -3.288
280 HB2 GLN 38 1HB GLN 38 11.397 17.193 -0.687
281 HB3 GLN 38 2HB GLN 38 13.101 17.599 -0.840
282 HG2 GLN 38 1HG GLN 38 12.666 19.671 -1.748
283 HG3 GLN 38 2HG GLN 38 11.060 19.205 -2.304
284 HE21 GLN 38 1HE2 GLN 38 10.770 21.408 -1.221
285 HE22 GLN 38 2HE2 GLN 38 10.301 21.373 0.442
286 H LYS 39 H LYS 39 12.799 18.764 -4.223
287 HA LYS 39 HA LYS 39 15.653 18.158 -4.287
288 HB2 LYS 39 1HB LYS 39 13.780 17.910 -6.589
289 HB3 LYS 39 2HB LYS 39 15.366 18.604 -6.901
290 HG2 LYS 39 1HG LYS 39 16.476 16.644 -6.310
291 HG3 LYS 39 2HG LYS 39 15.076 16.002 -5.448
292 HD2 LYS 39 1HD LYS 39 13.928 15.541 -7.465
293 HD3 LYS 39 2HD LYS 39 15.065 16.499 -8.416
294 HE2 LYS 39 1HE LYS 39 15.794 13.986 -6.918
295 HE3 LYS 39 2HE LYS 39 15.368 14.031 -8.628
296 HZ1 LYS 39 3HZ LYS 39 17.371 14.808 -9.174
297 HZ2 LYS 39 1HZ LYS 39 17.864 14.310 -7.634
298 HZ3 LYS 39 2HZ LYS 39 17.412 15.918 -7.898
299 HA PRO 40 HA PRO 40 16.178 22.511 -4.428
300 HB2 PRO 40 1HB PRO 40 18.359 22.790 -6.021
301 HB3 PRO 40 2HB PRO 40 18.446 22.147 -4.376
302 HG2 PRO 40 1HG PRO 40 18.402 20.678 -6.985
303 HG3 PRO 40 2HG PRO 40 19.405 20.384 -5.552
304 HD2 PRO 40 1HD PRO 40 17.199 18.917 -6.112
305 HD3 PRO 40 2HD PRO 40 17.722 19.258 -4.450
306 H SER 41 H SER 41 15.040 20.851 -7.033
307 HA SER 41 HA SER 41 15.279 22.806 -9.096
308 HB2 SER 41 1HB SER 41 14.876 20.390 -9.535
309 HB3 SER 41 2HB SER 41 13.260 20.562 -8.849
310 HG SER 41 HG SER 41 14.296 21.565 -11.255
311 H GLY 42 H GLY 42 14.620 24.724 -7.954
312 HA2 GLY 42 1HA GLY 42 12.650 26.187 -8.392
313 HA3 GLY 42 2HA GLY 42 11.685 24.918 -7.652
314 HA PRO 43 HA PRO 43 13.596 28.056 -4.528
315 HB2 PRO 43 1HB PRO 43 11.728 30.026 -4.526
316 HB3 PRO 43 2HB PRO 43 13.161 30.063 -5.559
317 HG2 PRO 43 1HG PRO 43 10.359 29.258 -6.236
318 HG3 PRO 43 2HG PRO 43 11.495 30.247 -7.171
319 HD2 PRO 43 1HD PRO 43 11.052 27.632 -7.714
320 HD3 PRO 43 2HD PRO 43 12.627 28.409 -7.979
321 H SER 44 H SER 44 10.088 27.741 -5.124
322 HA SER 44 HA SER 44 9.687 27.210 -2.272
323 HB2 SER 44 1HB SER 44 8.296 28.910 -3.643
324 HB3 SER 44 2HB SER 44 7.482 27.491 -4.302
325 HG SER 44 HG SER 44 6.347 28.165 -2.509
326 H SER 45 H SER 45 7.665 25.627 -1.995
327 HA SER 45 HA SER 45 8.032 23.274 -3.706
328 HB2 SER 45 1HB SER 45 8.371 21.793 -1.882
329 HB3 SER 45 2HB SER 45 9.461 23.148 -1.593
330 HG SER 45 HG SER 45 8.400 22.740 0.309
331 H GLY 46 H GLY 46 6.152 22.423 -4.315
332 HA2 GLY 46 1HA GLY 46 3.856 22.272 -4.548
333 HA3 GLY 46 2HA GLY 46 3.957 21.775 -2.866
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -9.543 -24.392 -1.439
2 HA2 GLY 1 1HA GLY 1 -8.336 -24.652 1.143
3 HA3 GLY 1 2HA GLY 1 -7.226 -23.957 -0.030
4 H SER 2 H SER 2 -8.747 -22.925 2.418
5 HA SER 2 HA SER 2 -10.659 -21.049 1.671
6 HB2 SER 2 1HB SER 2 -9.822 -21.789 4.034
7 HB3 SER 2 2HB SER 2 -8.693 -20.446 3.858
8 HG SER 2 HG SER 2 -10.291 -19.252 4.494
9 H SER 3 H SER 3 -10.590 -18.897 1.085
10 HA SER 3 HA SER 3 -8.079 -18.041 -0.145
11 HB2 SER 3 1HB SER 3 -10.902 -16.987 -0.438
12 HB3 SER 3 2HB SER 3 -9.498 -16.343 -1.289
13 HG SER 3 HG SER 3 -9.467 -18.047 -2.562
14 H GLY 4 H GLY 4 -10.625 -16.758 1.988
15 HA2 GLY 4 1HA GLY 4 -9.612 -15.661 4.041
16 HA3 GLY 4 2HA GLY 4 -8.707 -14.699 2.881
17 H SER 5 H SER 5 -9.621 -12.805 3.815
18 HA SER 5 HA SER 5 -12.437 -12.370 3.867
19 HB2 SER 5 1HB SER 5 -10.026 -10.611 4.205
20 HB3 SER 5 2HB SER 5 -11.634 -9.899 4.078
21 HG SER 5 HG SER 5 -11.565 -10.260 6.174
22 H SER 6 H SER 6 -13.757 -11.346 2.431
23 HA SER 6 HA SER 6 -12.826 -11.208 -0.301
24 HB2 SER 6 1HB SER 6 -15.215 -10.682 -0.808
25 HB3 SER 6 2HB SER 6 -15.009 -12.178 0.102
26 HG SER 6 HG SER 6 -16.132 -11.341 1.660
27 H GLY 7 H GLY 7 -14.259 -8.946 2.046
28 HA2 GLY 7 1HA GLY 7 -13.747 -6.690 2.324
29 HA3 GLY 7 2HA GLY 7 -12.725 -6.773 0.896
30 H THR 8 H THR 8 -15.073 -5.023 1.922
31 HA THR 8 HA THR 8 -17.221 -5.296 0.137
32 HB THR 8 HB THR 8 -16.237 -2.704 1.340
33 HG1 THR 8 HG1 THR 8 -18.114 -4.534 2.453
34 HG21 THR 8 3HG2 THR 8 -19.045 -3.545 0.631
35 HG22 THR 8 1HG2 THR 8 -18.008 -2.612 -0.448
36 HG23 THR 8 2HG2 THR 8 -18.487 -1.942 1.112
37 H GLY 9 H GLY 9 -14.445 -3.051 -0.007
38 HA2 GLY 9 1HA GLY 9 -15.076 -2.032 -2.567
39 HA3 GLY 9 2HA GLY 9 -13.512 -1.919 -1.773
40 H GLU 10 H GLU 10 -13.394 -2.182 -4.397
41 HA GLU 10 HA GLU 10 -12.651 -5.004 -4.800
42 HB2 GLU 10 1HB GLU 10 -13.959 -3.101 -6.741
43 HB3 GLU 10 2HB GLU 10 -13.169 -4.587 -7.251
44 HG2 GLU 10 1HG GLU 10 -14.740 -5.932 -6.148
45 HG3 GLU 10 2HG GLU 10 -15.357 -4.579 -5.202
46 H LYS 11 H LYS 11 -10.903 -3.077 -3.785
47 HA LYS 11 HA LYS 11 -8.953 -1.920 -4.193
48 HB2 LYS 11 1HB LYS 11 -8.385 -4.253 -6.014
49 HB3 LYS 11 2HB LYS 11 -7.246 -3.343 -5.030
50 HG2 LYS 11 1HG LYS 11 -9.461 -4.964 -3.818
51 HG3 LYS 11 2HG LYS 11 -7.889 -5.659 -4.219
52 HD2 LYS 11 1HD LYS 11 -7.488 -5.058 -2.054
53 HD3 LYS 11 2HD LYS 11 -7.026 -3.555 -2.857
54 HE2 LYS 11 1HE LYS 11 -8.405 -2.838 -1.127
55 HE3 LYS 11 2HE LYS 11 -9.486 -2.873 -2.518
56 HZ1 LYS 11 3HZ LYS 11 -10.125 -5.167 -1.748
57 HZ2 LYS 11 1HZ LYS 11 -10.641 -3.891 -0.763
58 HZ3 LYS 11 2HZ LYS 11 -9.311 -4.830 -0.303
59 HA PRO 12 HA PRO 12 -10.336 -0.516 -8.487
60 HB2 PRO 12 1HB PRO 12 -11.306 1.905 -7.733
61 HB3 PRO 12 2HB PRO 12 -12.301 0.444 -7.783
62 HG2 PRO 12 1HG PRO 12 -10.974 1.754 -5.441
63 HG3 PRO 12 2HG PRO 12 -12.603 1.066 -5.562
64 HD2 PRO 12 1HD PRO 12 -10.546 -0.258 -4.402
65 HD3 PRO 12 2HD PRO 12 -11.850 -1.093 -5.271
66 H TYR 13 H TYR 13 -8.148 0.228 -6.105
67 HA TYR 13 HA TYR 13 -6.599 1.881 -7.931
68 HB2 TYR 13 1HB TYR 13 -7.164 2.780 -5.098
69 HB3 TYR 13 2HB TYR 13 -6.137 3.601 -6.268
70 HD1 TYR 13 HD2 TYR 13 -7.201 4.577 -8.339
71 HD2 TYR 13 HD1 TYR 13 -9.491 3.162 -5.044
72 HE1 TYR 13 HE2 TYR 13 -9.135 5.869 -9.137
73 HE2 TYR 13 HE1 TYR 13 -11.432 4.450 -5.833
74 HH TYR 13 HH TYR 13 -12.066 6.152 -7.237
75 H ILE 14 H ILE 14 -4.548 1.240 -7.942
76 HA ILE 14 HA ILE 14 -3.374 0.091 -5.520
77 HB ILE 14 HB ILE 14 -3.289 -1.272 -8.215
78 HG12 ILE 14 1HG1 ILE 14 -4.316 -2.542 -5.711
79 HG13 ILE 14 2HG1 ILE 14 -5.359 -1.420 -6.577
80 HG21 ILE 14 1HG2 ILE 14 -2.067 -3.052 -6.925
81 HG22 ILE 14 2HG2 ILE 14 -1.170 -1.557 -7.186
82 HG23 ILE 14 3HG2 ILE 14 -1.903 -1.883 -5.615
83 HD11 ILE 14 3HD1 ILE 14 -4.985 -4.139 -7.076
84 HD12 ILE 14 1HD1 ILE 14 -5.890 -2.979 -8.049
85 HD13 ILE 14 2HD1 ILE 14 -4.191 -3.293 -8.405
86 H CYS 15 H CYS 15 -1.398 0.859 -5.156
87 HA CYS 15 HA CYS 15 -0.201 2.838 -6.674
88 HB2 CYS 15 1HB CYS 15 0.454 2.595 -4.398
89 HB3 CYS 15 2HB CYS 15 0.961 0.928 -4.649
90 H ALA 16 H ALA 16 1.058 2.883 -8.429
91 HA ALA 16 HA ALA 16 1.835 0.317 -9.621
92 HB1 ALA 16 3HB ALA 16 1.764 1.333 -11.715
93 HB2 ALA 16 1HB ALA 16 0.415 2.071 -10.852
94 HB3 ALA 16 2HB ALA 16 1.930 2.954 -11.042
95 H GLU 17 H GLU 17 3.382 1.282 -7.469
96 HA GLU 17 HA GLU 17 5.928 1.746 -8.857
97 HB2 GLU 17 1HB GLU 17 4.732 3.336 -6.634
98 HB3 GLU 17 2HB GLU 17 6.472 3.088 -6.635
99 HG2 GLU 17 1HG GLU 17 4.996 4.171 -9.012
100 HG3 GLU 17 2HG GLU 17 5.619 5.201 -7.725
101 H CYS 18 H CYS 18 4.227 0.563 -6.016
102 HA CYS 18 HA CYS 18 6.530 -1.185 -5.449
103 HB2 CYS 18 1HB CYS 18 6.023 -1.066 -3.084
104 HB3 CYS 18 2HB CYS 18 6.226 0.566 -3.712
105 H GLY 19 H GLY 19 3.007 -0.820 -5.153
106 HA2 GLY 19 1HA GLY 19 1.702 -2.681 -6.160
107 HA3 GLY 19 2HA GLY 19 2.802 -3.765 -5.320
108 H LYS 20 H LYS 20 1.404 -0.813 -3.999
109 HA LYS 20 HA LYS 20 0.169 -2.428 -1.889
110 HB2 LYS 20 1HB LYS 20 1.757 -0.542 -1.329
111 HB3 LYS 20 2HB LYS 20 0.537 0.569 -1.940
112 HG2 LYS 20 1HG LYS 20 -1.035 -0.214 -0.249
113 HG3 LYS 20 2HG LYS 20 0.176 -1.346 0.358
114 HD2 LYS 20 1HD LYS 20 1.573 0.408 1.112
115 HD3 LYS 20 2HD LYS 20 0.656 1.622 0.217
116 HE2 LYS 20 1HE LYS 20 -1.267 1.251 1.668
117 HE3 LYS 20 2HE LYS 20 -0.381 0.004 2.544
118 HZ1 LYS 20 3HZ LYS 20 -0.410 2.211 3.648
119 HZ2 LYS 20 1HZ LYS 20 0.500 2.832 2.364
120 HZ3 LYS 20 2HZ LYS 20 1.147 1.620 3.350
121 H ALA 21 H ALA 21 -1.990 -2.428 -1.491
122 HA ALA 21 HA ALA 21 -3.690 -1.224 -3.537
123 HB1 ALA 21 3HB ALA 21 -3.770 -3.638 -2.009
124 HB2 ALA 21 1HB ALA 21 -5.251 -2.720 -1.735
125 HB3 ALA 21 2HB ALA 21 -4.772 -3.153 -3.376
126 H PHE 22 H PHE 22 -5.532 0.027 -3.025
127 HA PHE 22 HA PHE 22 -5.713 1.066 -0.296
128 HB2 PHE 22 1HB PHE 22 -5.115 2.662 -2.763
129 HB3 PHE 22 2HB PHE 22 -6.024 3.395 -1.445
130 HD1 PHE 22 HD2 PHE 22 -2.794 1.944 -2.424
131 HD2 PHE 22 HD1 PHE 22 -4.967 4.000 0.604
132 HE1 PHE 22 HE2 PHE 22 -0.687 2.449 -1.260
133 HE2 PHE 22 HE1 PHE 22 -2.863 4.509 1.773
134 HZ PHE 22 HZ PHE 22 -0.719 3.732 0.842
135 H THR 23 H THR 23 -7.678 2.564 -0.112
136 HA THR 23 HA THR 23 -9.898 1.306 -1.574
137 HB THR 23 HB THR 23 -10.054 2.846 1.022
138 HG1 THR 23 HG1 THR 23 -8.847 0.896 1.256
139 HG21 THR 23 3HG2 THR 23 -12.223 2.854 0.354
140 HG22 THR 23 1HG2 THR 23 -12.191 1.216 1.005
141 HG23 THR 23 2HG2 THR 23 -12.008 1.479 -0.729
142 H ILE 24 H ILE 24 -8.747 4.444 -0.376
143 HA ILE 24 HA ILE 24 -10.604 5.773 -2.228
144 HB ILE 24 HB ILE 24 -9.050 7.193 -0.088
145 HG12 ILE 24 1HG1 ILE 24 -11.757 5.882 0.248
146 HG13 ILE 24 2HG1 ILE 24 -10.258 5.311 0.974
147 HG21 ILE 24 1HG2 ILE 24 -11.628 7.744 -1.546
148 HG22 ILE 24 2HG2 ILE 24 -11.027 8.709 -0.199
149 HG23 ILE 24 3HG2 ILE 24 -10.103 8.616 -1.697
150 HD11 ILE 24 3HD1 ILE 24 -10.512 8.015 1.688
151 HD12 ILE 24 1HD1 ILE 24 -12.093 7.273 1.929
152 HD13 ILE 24 2HD1 ILE 24 -10.670 6.595 2.721
153 H ARG 25 H ARG 25 -9.709 6.245 -4.122
154 HA ARG 25 HA ARG 25 -7.165 6.177 -4.961
155 HB2 ARG 25 1HB ARG 25 -7.816 7.346 -6.823
156 HB3 ARG 25 2HB ARG 25 -9.394 6.943 -6.160
157 HG2 ARG 25 1HG ARG 25 -9.251 9.216 -4.974
158 HG3 ARG 25 2HG ARG 25 -7.953 9.565 -6.118
159 HD2 ARG 25 1HD ARG 25 -9.381 9.422 -7.961
160 HD3 ARG 25 2HD ARG 25 -10.613 8.548 -7.052
161 HE ARG 25 HE ARG 25 -10.493 10.943 -5.796
162 HH11 ARG 25 1HH1 ARG 25 -10.898 9.995 -9.122
163 HH12 ARG 25 2HH1 ARG 25 -11.856 11.378 -9.535
164 HH21 ARG 25 1HH2 ARG 25 -11.752 12.768 -6.329
165 HH22 ARG 25 2HH2 ARG 25 -12.340 12.955 -7.946
166 H SER 26 H SER 26 -8.631 8.872 -3.214
167 HA SER 26 HA SER 26 -6.519 10.696 -3.431
168 HB2 SER 26 1HB SER 26 -8.793 10.330 -1.525
169 HB3 SER 26 2HB SER 26 -7.514 11.468 -1.103
170 HG SER 26 HG SER 26 -7.909 12.304 -3.340
171 H ASN 27 H ASN 27 -7.269 8.449 -0.766
172 HA ASN 27 HA ASN 27 -5.180 8.941 0.917
173 HB2 ASN 27 1HB ASN 27 -6.476 6.310 0.198
174 HB3 ASN 27 2HB ASN 27 -5.303 6.469 1.503
175 HD21 ASN 27 1HD2 ASN 27 -7.497 5.538 2.393
176 HD22 ASN 27 2HD2 ASN 27 -8.502 6.719 3.153
177 H LEU 28 H LEU 28 -5.098 7.222 -2.130
178 HA LEU 28 HA LEU 28 -2.429 6.222 -1.780
179 HB2 LEU 28 1HB LEU 28 -3.847 4.967 -3.194
180 HB3 LEU 28 2HB LEU 28 -4.295 6.392 -4.129
181 HG LEU 28 HG LEU 28 -1.772 6.419 -4.784
182 HD11 LEU 28 1HD1 LEU 28 -2.009 3.945 -3.294
183 HD12 LEU 28 2HD1 LEU 28 -0.570 4.788 -3.866
184 HD13 LEU 28 3HD1 LEU 28 -1.426 3.680 -4.937
185 HD21 LEU 28 3HD2 LEU 28 -2.924 4.154 -6.174
186 HD22 LEU 28 1HD2 LEU 28 -2.555 5.775 -6.765
187 HD23 LEU 28 2HD2 LEU 28 -4.092 5.460 -5.959
188 H ILE 29 H ILE 29 -3.914 9.042 -3.236
189 HA ILE 29 HA ILE 29 -1.942 10.028 -4.853
190 HB ILE 29 HB ILE 29 -3.633 11.629 -2.929
191 HG12 ILE 29 1HG1 ILE 29 -4.908 10.188 -4.498
192 HG13 ILE 29 2HG1 ILE 29 -5.163 11.904 -4.796
193 HG21 ILE 29 1HG2 ILE 29 -1.743 12.927 -3.733
194 HG22 ILE 29 2HG2 ILE 29 -2.136 12.499 -5.398
195 HG23 ILE 29 3HG2 ILE 29 -3.241 13.505 -4.462
196 HD11 ILE 29 3HD1 ILE 29 -3.701 11.843 -6.694
197 HD12 ILE 29 1HD1 ILE 29 -3.259 10.171 -6.350
198 HD13 ILE 29 2HD1 ILE 29 -4.904 10.564 -6.851
199 H LYS 30 H LYS 30 -2.145 10.311 -1.326
200 HA LYS 30 HA LYS 30 0.160 11.914 -1.008
201 HB2 LYS 30 1HB LYS 30 -1.755 11.367 0.668
202 HB3 LYS 30 2HB LYS 30 -0.772 9.967 1.079
203 HG2 LYS 30 1HG LYS 30 1.126 11.675 1.416
204 HG3 LYS 30 2HG LYS 30 -0.170 12.872 1.466
205 HD2 LYS 30 1HD LYS 30 -1.165 11.845 3.358
206 HD3 LYS 30 2HD LYS 30 -0.153 10.408 3.196
207 HE2 LYS 30 1HE LYS 30 0.892 11.537 4.917
208 HE3 LYS 30 2HE LYS 30 1.810 12.084 3.515
209 HZ1 LYS 30 3HZ LYS 30 -0.026 13.564 5.225
210 HZ2 LYS 30 1HZ LYS 30 -0.066 13.939 3.575
211 HZ3 LYS 30 2HZ LYS 30 1.380 14.083 4.440
212 H HIS 31 H HIS 31 -0.341 8.404 -0.767
213 HA HIS 31 HA HIS 31 2.108 7.535 0.042
214 HB2 HIS 31 1HB HIS 31 0.239 6.024 -0.430
215 HB3 HIS 31 2HB HIS 31 0.421 6.319 -2.156
216 HD1 HIS 31 HD1 HIS 31 2.656 5.060 0.665
217 HD2 HIS 31 HD2 HIS 31 1.844 4.368 -3.351
218 HE1 HIS 31 HE1 HIS 31 4.122 3.126 0.006
219 H GLN 32 H GLN 32 1.205 8.105 -3.362
220 HA GLN 32 HA GLN 32 3.482 7.540 -4.681
221 HB2 GLN 32 1HB GLN 32 1.670 9.922 -5.047
222 HB3 GLN 32 2HB GLN 32 2.965 9.535 -6.171
223 HG2 GLN 32 1HG GLN 32 0.805 7.576 -5.465
224 HG3 GLN 32 2HG GLN 32 0.646 8.739 -6.781
225 HE21 GLN 32 1HE2 GLN 32 0.570 7.212 -8.387
226 HE22 GLN 32 2HE2 GLN 32 1.931 6.249 -8.838
227 H LYS 33 H LYS 33 3.011 10.207 -2.486
228 HA LYS 33 HA LYS 33 5.037 11.933 -3.085
229 HB2 LYS 33 1HB LYS 33 4.149 10.967 -0.364
230 HB3 LYS 33 2HB LYS 33 5.218 12.342 -0.611
231 HG2 LYS 33 1HG LYS 33 2.565 12.264 -1.975
232 HG3 LYS 33 2HG LYS 33 2.673 12.717 -0.272
233 HD2 LYS 33 1HD LYS 33 4.462 14.384 -1.007
234 HD3 LYS 33 2HD LYS 33 3.905 14.076 -2.654
235 HE2 LYS 33 1HE LYS 33 2.709 15.970 -1.962
236 HE3 LYS 33 2HE LYS 33 1.573 14.634 -1.786
237 HZ1 LYS 33 3HZ LYS 33 1.359 15.832 0.176
238 HZ2 LYS 33 1HZ LYS 33 3.022 16.105 0.324
239 HZ3 LYS 33 2HZ LYS 33 2.389 14.564 0.615
240 H ILE 34 H ILE 34 5.340 8.985 -1.112
241 HA ILE 34 HA ILE 34 8.140 9.220 -0.739
242 HB ILE 34 HB ILE 34 8.084 6.960 0.100
243 HG12 ILE 34 1HG1 ILE 34 5.196 6.624 -0.572
244 HG13 ILE 34 2HG1 ILE 34 6.382 6.333 -1.839
245 HG21 ILE 34 1HG2 ILE 34 5.805 8.743 0.864
246 HG22 ILE 34 2HG2 ILE 34 6.039 7.190 1.664
247 HG23 ILE 34 3HG2 ILE 34 7.305 8.415 1.731
248 HD11 ILE 34 3HD1 ILE 34 7.149 5.015 0.600
249 HD12 ILE 34 1HD1 ILE 34 5.520 4.550 0.109
250 HD13 ILE 34 2HD1 ILE 34 6.870 4.343 -1.007
251 H HIS 35 H HIS 35 6.234 8.188 -3.380
252 HA HIS 35 HA HIS 35 8.404 6.641 -4.573
253 HB2 HIS 35 1HB HIS 35 5.509 7.057 -5.248
254 HB3 HIS 35 2HB HIS 35 6.621 6.437 -6.465
255 HD1 HIS 35 HD1 HIS 35 8.259 4.446 -4.920
256 HD2 HIS 35 HD2 HIS 35 4.161 4.878 -4.387
257 HE1 HIS 35 HE1 HIS 35 7.473 2.263 -3.952
258 H THR 36 H THR 36 8.374 9.638 -4.154
259 HA THR 36 HA THR 36 8.317 10.711 -6.840
260 HB THR 36 HB THR 36 9.172 12.807 -5.705
261 HG1 THR 36 HG1 THR 36 10.070 12.195 -3.829
262 HG21 THR 36 3HG2 THR 36 6.874 12.793 -6.103
263 HG22 THR 36 1HG2 THR 36 6.977 13.090 -4.368
264 HG23 THR 36 2HG2 THR 36 6.587 11.477 -4.965
265 H LYS 37 H LYS 37 10.716 9.729 -4.465
266 HA LYS 37 HA LYS 37 12.925 10.660 -6.091
267 HB2 LYS 37 1HB LYS 37 14.291 9.484 -4.290
268 HB3 LYS 37 2HB LYS 37 13.311 10.849 -3.771
269 HG2 LYS 37 1HG LYS 37 11.884 9.549 -2.563
270 HG3 LYS 37 2HG LYS 37 12.117 8.138 -3.597
271 HD2 LYS 37 1HD LYS 37 14.348 9.171 -1.882
272 HD3 LYS 37 2HD LYS 37 13.106 8.112 -1.209
273 HE2 LYS 37 1HE LYS 37 14.632 7.406 -3.699
274 HE3 LYS 37 2HE LYS 37 15.238 7.016 -2.090
275 HZ1 LYS 37 3HZ LYS 37 12.629 6.133 -3.203
276 HZ2 LYS 37 1HZ LYS 37 13.239 5.738 -1.675
277 HZ3 LYS 37 2HZ LYS 37 14.013 5.170 -3.068
278 H GLN 38 H GLN 38 12.906 9.500 -7.986
279 HA GLN 38 HA GLN 38 12.459 6.754 -8.245
280 HB2 GLN 38 1HB GLN 38 13.900 8.773 -9.936
281 HB3 GLN 38 2HB GLN 38 13.885 7.074 -10.390
282 HG2 GLN 38 1HG GLN 38 12.077 7.780 -11.556
283 HG3 GLN 38 2HG GLN 38 11.287 7.370 -10.035
284 HE21 GLN 38 1HE2 GLN 38 13.135 10.147 -11.255
285 HE22 GLN 38 2HE2 GLN 38 11.968 11.338 -10.803
286 H LYS 39 H LYS 39 13.550 5.349 -6.995
287 HA LYS 39 HA LYS 39 16.373 4.992 -7.504
288 HB2 LYS 39 1HB LYS 39 16.077 6.646 -5.538
289 HB3 LYS 39 2HB LYS 39 15.544 5.241 -4.624
290 HG2 LYS 39 1HG LYS 39 17.784 5.344 -4.106
291 HG3 LYS 39 2HG LYS 39 17.766 4.183 -5.435
292 HD2 LYS 39 1HD LYS 39 18.174 6.237 -6.940
293 HD3 LYS 39 2HD LYS 39 18.639 7.053 -5.445
294 HE2 LYS 39 1HE LYS 39 20.668 6.250 -6.190
295 HE3 LYS 39 2HE LYS 39 20.154 4.962 -5.101
296 HZ1 LYS 39 3HZ LYS 39 19.340 4.721 -7.888
297 HZ2 LYS 39 1HZ LYS 39 19.839 3.527 -6.798
298 HZ3 LYS 39 2HZ LYS 39 20.987 4.506 -7.563
299 HA PRO 40 HA PRO 40 14.896 0.828 -7.187
300 HB2 PRO 40 1HB PRO 40 17.306 -0.397 -7.434
301 HB3 PRO 40 2HB PRO 40 16.452 0.327 -8.802
302 HG2 PRO 40 1HG PRO 40 18.700 1.441 -7.168
303 HG3 PRO 40 2HG PRO 40 18.467 1.481 -8.926
304 HD2 PRO 40 1HD PRO 40 17.911 3.601 -7.334
305 HD3 PRO 40 2HD PRO 40 16.999 3.255 -8.818
306 H SER 41 H SER 41 14.217 0.866 -5.003
307 HA SER 41 HA SER 41 16.220 0.371 -2.941
308 HB2 SER 41 1HB SER 41 13.235 0.843 -2.782
309 HB3 SER 41 2HB SER 41 14.265 0.546 -1.381
310 HG SER 41 HG SER 41 14.236 2.757 -3.128
311 H GLY 42 H GLY 42 13.273 -1.156 -4.229
312 HA2 GLY 42 1HA GLY 42 13.565 -3.606 -4.684
313 HA3 GLY 42 2HA GLY 42 14.209 -3.700 -3.052
314 HA PRO 43 HA PRO 43 9.494 -2.737 -2.560
315 HB2 PRO 43 1HB PRO 43 7.992 -2.826 -4.820
316 HB3 PRO 43 2HB PRO 43 8.761 -1.346 -4.235
317 HG2 PRO 43 1HG PRO 43 9.665 -3.232 -6.377
318 HG3 PRO 43 2HG PRO 43 9.670 -1.458 -6.372
319 HD2 PRO 43 1HD PRO 43 11.893 -2.923 -5.878
320 HD3 PRO 43 2HD PRO 43 11.604 -1.342 -5.124
321 H SER 44 H SER 44 9.290 -4.694 -1.563
322 HA SER 44 HA SER 44 7.851 -6.749 -2.943
323 HB2 SER 44 1HB SER 44 10.438 -7.055 -3.391
324 HB3 SER 44 2HB SER 44 10.414 -7.749 -1.770
325 HG SER 44 HG SER 44 8.454 -8.607 -3.550
326 H SER 45 H SER 45 6.344 -7.230 -1.502
327 HA SER 45 HA SER 45 7.003 -7.136 1.353
328 HB2 SER 45 1HB SER 45 4.617 -6.991 1.753
329 HB3 SER 45 2HB SER 45 5.059 -5.809 0.521
330 HG SER 45 HG SER 45 4.350 -7.361 -1.049
331 H GLY 46 H GLY 46 6.547 -8.849 2.749
332 HA2 GLY 46 1HA GLY 46 6.276 -11.453 1.390
333 HA3 GLY 46 2HA GLY 46 7.110 -11.197 2.916
Start of MODEL 15
1 H1 GLY 1 H GLY 1 3.447 -14.464 -8.607
2 HA2 GLY 1 1HA GLY 1 1.946 -16.729 -7.444
3 HA3 GLY 1 2HA GLY 1 2.227 -15.217 -6.595
4 H SER 2 H SER 2 0.051 -16.950 -8.431
5 HA SER 2 HA SER 2 -1.533 -14.520 -8.934
6 HB2 SER 2 1HB SER 2 -1.377 -16.955 -10.729
7 HB3 SER 2 2HB SER 2 -2.423 -15.557 -10.982
8 HG SER 2 HG SER 2 -0.770 -14.436 -11.682
9 H SER 3 H SER 3 -2.551 -14.930 -6.905
10 HA SER 3 HA SER 3 -4.935 -16.433 -7.110
11 HB2 SER 3 1HB SER 3 -3.222 -18.264 -6.699
12 HB3 SER 3 2HB SER 3 -2.981 -17.561 -5.100
13 HG SER 3 HG SER 3 -4.648 -19.342 -5.490
14 H GLY 4 H GLY 4 -6.053 -16.553 -4.871
15 HA2 GLY 4 1HA GLY 4 -5.240 -14.254 -3.215
16 HA3 GLY 4 2HA GLY 4 -6.888 -14.372 -3.813
17 H SER 5 H SER 5 -6.099 -14.229 -1.073
18 HA SER 5 HA SER 5 -6.468 -16.920 -0.023
19 HB2 SER 5 1HB SER 5 -6.068 -15.915 2.167
20 HB3 SER 5 2HB SER 5 -4.817 -15.405 1.033
21 HG SER 5 HG SER 5 -7.110 -13.821 1.362
22 H SER 6 H SER 6 -8.483 -14.737 -1.272
23 HA SER 6 HA SER 6 -10.788 -15.834 -0.013
24 HB2 SER 6 1HB SER 6 -11.666 -13.786 1.004
25 HB3 SER 6 2HB SER 6 -10.131 -14.233 1.748
26 HG SER 6 HG SER 6 -10.114 -12.037 1.290
27 H GLY 7 H GLY 7 -12.132 -16.041 -1.668
28 HA2 GLY 7 1HA GLY 7 -11.887 -14.346 -3.999
29 HA3 GLY 7 2HA GLY 7 -12.967 -15.719 -3.813
30 H THR 8 H THR 8 -12.525 -12.507 -2.323
31 HA THR 8 HA THR 8 -15.449 -12.166 -2.452
32 HB THR 8 HB THR 8 -15.176 -10.489 -0.639
33 HG1 THR 8 HG1 THR 8 -13.190 -9.814 -0.358
34 HG21 THR 8 3HG2 THR 8 -15.820 -12.348 0.454
35 HG22 THR 8 1HG2 THR 8 -14.146 -12.410 1.003
36 HG23 THR 8 2HG2 THR 8 -14.654 -13.365 -0.390
37 H GLY 9 H GLY 9 -12.427 -10.266 -2.562
38 HA2 GLY 9 1HA GLY 9 -12.814 -9.020 -4.977
39 HA3 GLY 9 2HA GLY 9 -13.697 -8.031 -3.824
40 H GLU 10 H GLU 10 -11.680 -6.870 -5.184
41 HA GLU 10 HA GLU 10 -9.672 -6.478 -3.080
42 HB2 GLU 10 1HB GLU 10 -7.859 -6.465 -4.623
43 HB3 GLU 10 2HB GLU 10 -8.773 -7.935 -4.927
44 HG2 GLU 10 1HG GLU 10 -9.816 -6.937 -6.860
45 HG3 GLU 10 2HG GLU 10 -9.020 -5.400 -6.529
46 H LYS 11 H LYS 11 -8.444 -4.417 -3.390
47 HA LYS 11 HA LYS 11 -10.290 -2.278 -3.839
48 HB2 LYS 11 1HB LYS 11 -7.458 -2.506 -2.924
49 HB3 LYS 11 2HB LYS 11 -8.027 -0.941 -3.491
50 HG2 LYS 11 1HG LYS 11 -9.436 -0.654 -1.725
51 HG3 LYS 11 2HG LYS 11 -9.690 -2.386 -1.502
52 HD2 LYS 11 1HD LYS 11 -7.190 -2.409 -0.809
53 HD3 LYS 11 2HD LYS 11 -7.412 -0.672 -0.583
54 HE2 LYS 11 1HE LYS 11 -9.528 -1.456 0.771
55 HE3 LYS 11 2HE LYS 11 -8.615 -2.958 0.906
56 HZ1 LYS 11 3HZ LYS 11 -6.868 -1.856 2.007
57 HZ2 LYS 11 1HZ LYS 11 -8.286 -1.301 2.744
58 HZ3 LYS 11 2HZ LYS 11 -7.473 -0.322 1.630
59 HA PRO 12 HA PRO 12 -9.453 -1.634 -8.132
60 HB2 PRO 12 1HB PRO 12 -10.579 0.827 -8.348
61 HB3 PRO 12 2HB PRO 12 -11.530 -0.658 -8.224
62 HG2 PRO 12 1HG PRO 12 -10.835 1.330 -6.096
63 HG3 PRO 12 2HG PRO 12 -12.382 0.523 -6.411
64 HD2 PRO 12 1HD PRO 12 -10.686 -0.288 -4.462
65 HD3 PRO 12 2HD PRO 12 -11.730 -1.417 -5.350
66 H TYR 13 H TYR 13 -8.346 0.444 -5.586
67 HA TYR 13 HA TYR 13 -6.552 1.872 -7.411
68 HB2 TYR 13 1HB TYR 13 -6.948 2.385 -4.462
69 HB3 TYR 13 2HB TYR 13 -6.200 3.451 -5.645
70 HD1 TYR 13 HD1 TYR 13 -9.384 2.105 -4.398
71 HD2 TYR 13 HD2 TYR 13 -7.541 4.810 -7.116
72 HE1 TYR 13 HE1 TYR 13 -11.558 3.188 -4.785
73 HE2 TYR 13 HE2 TYR 13 -9.709 5.901 -7.510
74 HH TYR 13 HH TYR 13 -12.237 5.710 -5.607
75 H ILE 14 H ILE 14 -4.701 0.844 -7.784
76 HA ILE 14 HA ILE 14 -3.239 -0.258 -5.479
77 HB ILE 14 HB ILE 14 -3.468 -1.506 -8.219
78 HG12 ILE 14 1HG1 ILE 14 -4.190 -2.623 -5.503
79 HG13 ILE 14 2HG1 ILE 14 -5.350 -1.890 -6.605
80 HG21 ILE 14 1HG2 ILE 14 -1.554 -2.583 -7.885
81 HG22 ILE 14 2HG2 ILE 14 -1.269 -1.538 -6.494
82 HG23 ILE 14 3HG2 ILE 14 -2.064 -3.097 -6.278
83 HD11 ILE 14 3HD1 ILE 14 -4.508 -3.647 -8.291
84 HD12 ILE 14 1HD1 ILE 14 -3.868 -4.468 -6.867
85 HD13 ILE 14 2HD1 ILE 14 -5.598 -4.150 -7.000
86 H CYS 15 H CYS 15 -1.406 0.810 -5.203
87 HA CYS 15 HA CYS 15 -0.328 2.735 -6.826
88 HB2 CYS 15 1HB CYS 15 0.336 2.278 -4.465
89 HB3 CYS 15 2HB CYS 15 1.271 0.898 -5.033
90 H ALA 16 H ALA 16 0.916 2.813 -8.603
91 HA ALA 16 HA ALA 16 1.649 0.259 -9.846
92 HB1 ALA 16 3HB ALA 16 0.225 2.098 -10.993
93 HB2 ALA 16 1HB ALA 16 1.777 2.893 -11.256
94 HB3 ALA 16 2HB ALA 16 1.488 1.282 -11.914
95 H GLU 17 H GLU 17 3.191 1.569 -7.682
96 HA GLU 17 HA GLU 17 5.729 1.914 -9.139
97 HB2 GLU 17 1HB GLU 17 4.742 3.317 -6.658
98 HB3 GLU 17 2HB GLU 17 6.434 3.313 -7.137
99 HG2 GLU 17 1HG GLU 17 5.298 5.350 -7.839
100 HG3 GLU 17 2HG GLU 17 5.878 4.419 -9.218
101 H CYS 18 H CYS 18 4.174 0.761 -6.183
102 HA CYS 18 HA CYS 18 6.499 -0.994 -5.730
103 HB2 CYS 18 1HB CYS 18 5.740 -1.023 -3.324
104 HB3 CYS 18 2HB CYS 18 6.357 0.524 -3.893
105 H GLY 19 H GLY 19 2.973 -0.754 -5.287
106 HA2 GLY 19 1HA GLY 19 1.744 -2.654 -6.393
107 HA3 GLY 19 2HA GLY 19 2.853 -3.698 -5.515
108 H LYS 20 H LYS 20 1.476 -0.781 -4.152
109 HA LYS 20 HA LYS 20 0.195 -2.408 -2.091
110 HB2 LYS 20 1HB LYS 20 1.699 -0.524 -1.453
111 HB3 LYS 20 2HB LYS 20 0.563 0.591 -2.201
112 HG2 LYS 20 1HG LYS 20 -1.152 -0.048 -0.612
113 HG3 LYS 20 2HG LYS 20 -0.064 -1.234 0.112
114 HD2 LYS 20 1HD LYS 20 1.420 0.501 0.860
115 HD3 LYS 20 2HD LYS 20 0.501 1.727 -0.017
116 HE2 LYS 20 1HE LYS 20 -1.484 0.940 1.441
117 HE3 LYS 20 2HE LYS 20 -0.243 0.218 2.464
118 HZ1 LYS 20 3HZ LYS 20 -0.231 3.076 1.677
119 HZ2 LYS 20 1HZ LYS 20 0.713 2.327 2.865
120 HZ3 LYS 20 2HZ LYS 20 -0.951 2.513 3.100
121 H ALA 21 H ALA 21 -1.962 -1.750 -1.304
122 HA ALA 21 HA ALA 21 -3.690 -1.002 -3.567
123 HB1 ALA 21 3HB ALA 21 -4.691 -2.936 -3.081
124 HB2 ALA 21 1HB ALA 21 -3.865 -3.068 -1.528
125 HB3 ALA 21 2HB ALA 21 -5.342 -2.114 -1.663
126 H PHE 22 H PHE 22 -5.737 0.115 -2.960
127 HA PHE 22 HA PHE 22 -5.727 1.637 -0.505
128 HB2 PHE 22 1HB PHE 22 -5.278 2.956 -3.183
129 HB3 PHE 22 2HB PHE 22 -5.867 3.831 -1.774
130 HD1 PHE 22 HD2 PHE 22 -3.027 1.834 -3.056
131 HD2 PHE 22 HD1 PHE 22 -4.390 4.616 -0.138
132 HE1 PHE 22 HE2 PHE 22 -0.709 2.180 -2.309
133 HE2 PHE 22 HE1 PHE 22 -2.073 4.968 0.613
134 HZ PHE 22 HZ PHE 22 -0.229 3.748 -0.472
135 H THR 23 H THR 23 -7.711 2.670 -0.078
136 HA THR 23 HA THR 23 -9.932 1.591 -1.648
137 HB THR 23 HB THR 23 -9.916 2.892 1.083
138 HG1 THR 23 HG1 THR 23 -10.609 0.212 0.567
139 HG21 THR 23 3HG2 THR 23 -12.081 3.293 0.574
140 HG22 THR 23 1HG2 THR 23 -12.276 1.574 0.915
141 HG23 THR 23 2HG2 THR 23 -12.093 2.128 -0.750
142 H ILE 24 H ILE 24 -8.572 4.642 -0.537
143 HA ILE 24 HA ILE 24 -10.558 6.070 -2.180
144 HB ILE 24 HB ILE 24 -8.949 7.100 0.159
145 HG12 ILE 24 1HG1 ILE 24 -10.854 5.585 0.720
146 HG13 ILE 24 2HG1 ILE 24 -11.057 7.222 1.333
147 HG21 ILE 24 1HG2 ILE 24 -10.952 8.921 -0.425
148 HG22 ILE 24 2HG2 ILE 24 -9.232 9.107 -0.762
149 HG23 ILE 24 3HG2 ILE 24 -10.309 8.466 -2.003
150 HD11 ILE 24 3HD1 ILE 24 -13.132 6.863 0.495
151 HD12 ILE 24 1HD1 ILE 24 -12.356 7.527 -0.943
152 HD13 ILE 24 2HD1 ILE 24 -12.557 5.783 -0.775
153 H ARG 25 H ARG 25 -9.887 7.367 -3.802
154 HA ARG 25 HA ARG 25 -7.477 7.034 -5.060
155 HB2 ARG 25 1HB ARG 25 -8.756 9.726 -5.221
156 HB3 ARG 25 2HB ARG 25 -8.115 8.713 -6.507
157 HG2 ARG 25 1HG ARG 25 -10.323 8.477 -6.943
158 HG3 ARG 25 2HG ARG 25 -10.139 7.163 -5.779
159 HD2 ARG 25 1HD ARG 25 -11.950 8.204 -4.870
160 HD3 ARG 25 2HD ARG 25 -10.670 9.108 -4.061
161 HE ARG 25 HE ARG 25 -11.113 10.563 -6.288
162 HH11 ARG 25 1HH1 ARG 25 -13.223 9.287 -3.830
163 HH12 ARG 25 2HH1 ARG 25 -14.382 10.567 -3.976
164 HH21 ARG 25 1HH2 ARG 25 -12.631 12.253 -6.490
165 HH22 ARG 25 2HH2 ARG 25 -14.044 12.253 -5.490
166 H SER 26 H SER 26 -8.344 9.622 -2.783
167 HA SER 26 HA SER 26 -5.954 11.047 -2.871
168 HB2 SER 26 1HB SER 26 -8.216 11.561 -1.659
169 HB3 SER 26 2HB SER 26 -7.458 10.744 -0.292
170 HG SER 26 HG SER 26 -7.160 13.230 -0.936
171 H ASN 27 H ASN 27 -6.920 8.481 -0.596
172 HA ASN 27 HA ASN 27 -4.714 8.326 0.995
173 HB2 ASN 27 1HB ASN 27 -6.324 6.031 -0.143
174 HB3 ASN 27 2HB ASN 27 -5.194 5.882 1.200
175 HD21 ASN 27 1HD2 ASN 27 -6.964 5.141 2.461
176 HD22 ASN 27 2HD2 ASN 27 -8.089 6.264 3.139
177 H LEU 28 H LEU 28 -5.040 7.159 -2.304
178 HA LEU 28 HA LEU 28 -2.430 5.913 -2.291
179 HB2 LEU 28 1HB LEU 28 -4.071 4.837 -3.614
180 HB3 LEU 28 2HB LEU 28 -4.517 6.345 -4.410
181 HG LEU 28 HG LEU 28 -2.223 6.332 -5.462
182 HD11 LEU 28 1HD1 LEU 28 -1.448 4.580 -3.703
183 HD12 LEU 28 2HD1 LEU 28 -0.839 4.494 -5.355
184 HD13 LEU 28 3HD1 LEU 28 -2.132 3.414 -4.836
185 HD21 LEU 28 3HD2 LEU 28 -4.590 5.086 -6.201
186 HD22 LEU 28 1HD2 LEU 28 -3.343 3.878 -6.508
187 HD23 LEU 28 2HD2 LEU 28 -3.227 5.473 -7.253
188 H ILE 29 H ILE 29 -3.950 8.752 -3.781
189 HA ILE 29 HA ILE 29 -1.773 9.669 -5.251
190 HB ILE 29 HB ILE 29 -3.885 11.332 -3.873
191 HG12 ILE 29 1HG1 ILE 29 -3.932 10.669 -6.783
192 HG13 ILE 29 2HG1 ILE 29 -4.436 9.428 -5.640
193 HG21 ILE 29 1HG2 ILE 29 -3.356 12.953 -5.722
194 HG22 ILE 29 2HG2 ILE 29 -2.103 12.768 -4.496
195 HG23 ILE 29 3HG2 ILE 29 -1.926 11.979 -6.063
196 HD11 ILE 29 3HD1 ILE 29 -6.436 10.353 -5.545
197 HD12 ILE 29 1HD1 ILE 29 -5.722 11.834 -4.906
198 HD13 ILE 29 2HD1 ILE 29 -5.913 11.626 -6.648
199 H LYS 30 H LYS 30 -2.435 9.864 -1.838
200 HA LYS 30 HA LYS 30 -0.366 11.820 -1.335
201 HB2 LYS 30 1HB LYS 30 -2.581 11.372 0.002
202 HB3 LYS 30 2HB LYS 30 -1.614 10.148 0.813
203 HG2 LYS 30 1HG LYS 30 -0.025 11.823 1.527
204 HG3 LYS 30 2HG LYS 30 -0.903 13.069 0.636
205 HD2 LYS 30 1HD LYS 30 -2.669 13.077 2.127
206 HD3 LYS 30 2HD LYS 30 -2.330 11.441 2.696
207 HE2 LYS 30 1HE LYS 30 -0.147 12.450 3.619
208 HE3 LYS 30 2HE LYS 30 -0.943 14.007 3.393
209 HZ1 LYS 30 3HZ LYS 30 -2.842 12.888 4.718
210 HZ2 LYS 30 1HZ LYS 30 -1.491 13.479 5.548
211 HZ3 LYS 30 2HZ LYS 30 -1.635 11.822 5.238
212 H HIS 31 H HIS 31 -0.682 8.372 -1.421
213 HA HIS 31 HA HIS 31 1.630 7.774 0.143
214 HB2 HIS 31 1HB HIS 31 0.110 6.004 0.020
215 HB3 HIS 31 2HB HIS 31 -0.127 6.200 -1.714
216 HD1 HIS 31 HD1 HIS 31 2.285 4.756 0.782
217 HD2 HIS 31 HD2 HIS 31 1.628 4.783 -3.321
218 HE1 HIS 31 HE1 HIS 31 3.831 3.010 -0.158
219 H GLN 32 H GLN 32 1.011 8.348 -3.260
220 HA GLN 32 HA GLN 32 3.356 7.366 -4.376
221 HB2 GLN 32 1HB GLN 32 1.640 9.720 -5.158
222 HB3 GLN 32 2HB GLN 32 2.989 9.156 -6.134
223 HG2 GLN 32 1HG GLN 32 1.823 6.879 -6.089
224 HG3 GLN 32 2HG GLN 32 0.410 7.766 -5.520
225 HE21 GLN 32 1HE2 GLN 32 -0.899 7.629 -7.242
226 HE22 GLN 32 2HE2 GLN 32 -0.521 8.232 -8.816
227 H LYS 33 H LYS 33 2.971 9.898 -2.173
228 HA LYS 33 HA LYS 33 4.969 11.702 -2.907
229 HB2 LYS 33 1HB LYS 33 3.873 10.883 -0.223
230 HB3 LYS 33 2HB LYS 33 5.112 12.121 -0.380
231 HG2 LYS 33 1HG LYS 33 3.452 13.202 -2.058
232 HG3 LYS 33 2HG LYS 33 2.260 12.178 -1.255
233 HD2 LYS 33 1HD LYS 33 2.113 14.081 0.022
234 HD3 LYS 33 2HD LYS 33 3.335 13.180 0.922
235 HE2 LYS 33 1HE LYS 33 5.099 14.430 -0.210
236 HE3 LYS 33 2HE LYS 33 3.888 15.313 -1.140
237 HZ1 LYS 33 3HZ LYS 33 3.529 15.410 1.728
238 HZ2 LYS 33 1HZ LYS 33 3.425 16.648 0.580
239 HZ3 LYS 33 2HZ LYS 33 4.935 16.167 1.170
240 H ILE 34 H ILE 34 5.201 8.906 -0.706
241 HA ILE 34 HA ILE 34 7.927 9.092 -0.164
242 HB ILE 34 HB ILE 34 7.848 6.784 0.526
243 HG12 ILE 34 1HG1 ILE 34 5.054 6.429 -0.464
244 HG13 ILE 34 2HG1 ILE 34 6.373 6.245 -1.615
245 HG21 ILE 34 1HG2 ILE 34 5.678 8.645 1.223
246 HG22 ILE 34 2HG2 ILE 34 5.426 6.968 1.706
247 HG23 ILE 34 3HG2 ILE 34 6.859 7.837 2.254
248 HD11 ILE 34 3HD1 ILE 34 6.460 4.779 0.978
249 HD12 ILE 34 1HD1 ILE 34 5.457 4.182 -0.343
250 HD13 ILE 34 2HD1 ILE 34 7.196 4.370 -0.572
251 H HIS 35 H HIS 35 6.375 8.316 -3.074
252 HA HIS 35 HA HIS 35 8.621 6.779 -4.123
253 HB2 HIS 35 1HB HIS 35 5.872 7.438 -5.129
254 HB3 HIS 35 2HB HIS 35 7.111 6.878 -6.249
255 HD1 HIS 35 HD1 HIS 35 8.036 4.434 -5.838
256 HD2 HIS 35 HD2 HIS 35 4.709 5.482 -3.581
257 HE1 HIS 35 HE1 HIS 35 7.123 2.269 -4.942
258 H THR 36 H THR 36 7.473 9.995 -4.018
259 HA THR 36 HA THR 36 9.393 10.768 -6.118
260 HB THR 36 HB THR 36 7.127 11.283 -6.841
261 HG1 THR 36 HG1 THR 36 7.457 13.732 -6.797
262 HG21 THR 36 3HG2 THR 36 5.569 11.815 -5.340
263 HG22 THR 36 1HG2 THR 36 6.353 13.381 -5.134
264 HG23 THR 36 2HG2 THR 36 6.793 12.031 -4.089
265 H LYS 37 H LYS 37 10.676 12.594 -5.758
266 HA LYS 37 HA LYS 37 11.964 14.020 -4.541
267 HB2 LYS 37 1HB LYS 37 9.274 14.290 -3.296
268 HB3 LYS 37 2HB LYS 37 10.641 14.981 -2.432
269 HG2 LYS 37 1HG LYS 37 11.219 16.179 -4.588
270 HG3 LYS 37 2HG LYS 37 9.629 15.681 -5.170
271 HD2 LYS 37 1HD LYS 37 8.609 16.799 -3.210
272 HD3 LYS 37 2HD LYS 37 10.211 17.367 -2.736
273 HE2 LYS 37 1HE LYS 37 9.335 19.180 -3.892
274 HE3 LYS 37 2HE LYS 37 10.309 18.365 -5.114
275 HZ1 LYS 37 3HZ LYS 37 7.520 17.553 -4.916
276 HZ2 LYS 37 1HZ LYS 37 8.496 17.753 -6.284
277 HZ3 LYS 37 2HZ LYS 37 7.809 19.103 -5.531
278 H GLN 38 H GLN 38 12.292 11.298 -4.019
279 HA GLN 38 HA GLN 38 12.953 11.328 -1.147
280 HB2 GLN 38 1HB GLN 38 12.539 8.985 -1.010
281 HB3 GLN 38 2HB GLN 38 11.145 9.706 -1.803
282 HG2 GLN 38 1HG GLN 38 11.718 8.835 -3.881
283 HG3 GLN 38 2HG GLN 38 13.388 8.538 -3.399
284 HE21 GLN 38 1HE2 GLN 38 13.618 6.946 -1.563
285 HE22 GLN 38 2HE2 GLN 38 12.620 5.538 -1.630
286 H LYS 39 H LYS 39 14.097 11.100 -4.325
287 HA LYS 39 HA LYS 39 16.539 9.685 -3.615
288 HB2 LYS 39 1HB LYS 39 17.113 9.934 -5.996
289 HB3 LYS 39 2HB LYS 39 15.529 9.201 -5.778
290 HG2 LYS 39 1HG LYS 39 14.589 11.551 -6.097
291 HG3 LYS 39 2HG LYS 39 16.195 11.976 -6.695
292 HD2 LYS 39 1HD LYS 39 15.933 9.977 -8.273
293 HD3 LYS 39 2HD LYS 39 14.222 10.019 -7.838
294 HE2 LYS 39 1HE LYS 39 14.358 12.517 -8.471
295 HE3 LYS 39 2HE LYS 39 15.855 12.072 -9.289
296 HZ1 LYS 39 3HZ LYS 39 13.858 10.232 -9.995
297 HZ2 LYS 39 1HZ LYS 39 14.676 11.330 -10.989
298 HZ3 LYS 39 2HZ LYS 39 13.242 11.792 -10.220
299 HA PRO 40 HA PRO 40 18.800 13.350 -2.658
300 HB2 PRO 40 1HB PRO 40 21.306 12.343 -2.934
301 HB3 PRO 40 2HB PRO 40 20.266 11.967 -1.555
302 HG2 PRO 40 1HG PRO 40 20.804 10.354 -4.019
303 HG3 PRO 40 2HG PRO 40 20.704 9.819 -2.332
304 HD2 PRO 40 1HD PRO 40 18.661 9.509 -4.081
305 HD3 PRO 40 2HD PRO 40 18.400 9.784 -2.347
306 H SER 41 H SER 41 20.122 11.466 -5.391
307 HA SER 41 HA SER 41 21.185 12.158 -7.302
308 HB2 SER 41 1HB SER 41 18.800 14.024 -7.302
309 HB3 SER 41 2HB SER 41 19.776 13.609 -8.711
310 HG SER 41 HG SER 41 18.127 11.893 -7.172
311 H GLY 42 H GLY 42 22.361 13.340 -5.078
312 HA2 GLY 42 1HA GLY 42 23.571 15.646 -6.310
313 HA3 GLY 42 2HA GLY 42 22.617 16.042 -4.889
314 HA PRO 43 HA PRO 43 26.040 15.147 -2.307
315 HB2 PRO 43 1HB PRO 43 24.813 14.185 -0.085
316 HB3 PRO 43 2HB PRO 43 24.765 15.890 -0.546
317 HG2 PRO 43 1HG PRO 43 22.707 13.757 -0.965
318 HG3 PRO 43 2HG PRO 43 22.487 15.436 -0.439
319 HD2 PRO 43 1HD PRO 43 22.031 14.636 -2.985
320 HD3 PRO 43 2HD PRO 43 22.626 16.260 -2.586
321 H SER 44 H SER 44 23.708 12.586 -2.877
322 HA SER 44 HA SER 44 24.937 10.418 -1.704
323 HB2 SER 44 1HB SER 44 22.739 10.288 -2.787
324 HB3 SER 44 2HB SER 44 23.496 10.483 -4.368
325 HG SER 44 HG SER 44 24.467 8.429 -2.772
326 H SER 45 H SER 45 25.375 11.471 -5.085
327 HA SER 45 HA SER 45 28.099 10.363 -4.981
328 HB2 SER 45 1HB SER 45 27.815 9.618 -7.344
329 HB3 SER 45 2HB SER 45 26.752 8.770 -6.221
330 HG SER 45 HG SER 45 25.373 10.822 -6.972
331 H GLY 46 H GLY 46 28.555 12.660 -4.503
332 HA2 GLY 46 1HA GLY 46 29.064 14.836 -5.111
333 HA3 GLY 46 2HA GLY 46 29.808 14.015 -6.475
Start of MODEL 16
1 H1 GLY 1 H GLY 1 13.032 -2.671 2.147
2 HA2 GLY 1 1HA GLY 1 14.248 -4.150 -0.079
3 HA3 GLY 1 2HA GLY 1 14.227 -4.897 1.511
4 H SER 2 H SER 2 12.176 -5.400 2.473
5 HA SER 2 HA SER 2 10.261 -6.274 0.491
6 HB2 SER 2 1HB SER 2 10.721 -6.791 3.394
7 HB3 SER 2 2HB SER 2 9.101 -7.062 2.752
8 HG SER 2 HG SER 2 10.249 -8.956 2.536
9 H SER 3 H SER 3 10.380 -3.507 0.588
10 HA SER 3 HA SER 3 8.659 -2.153 2.252
11 HB2 SER 3 1HB SER 3 10.118 -1.147 0.466
12 HB3 SER 3 2HB SER 3 8.907 -1.636 -0.719
13 HG SER 3 HG SER 3 7.949 0.161 -0.236
14 H GLY 4 H GLY 4 6.601 -2.487 2.742
15 HA2 GLY 4 1HA GLY 4 4.383 -2.338 1.310
16 HA3 GLY 4 2HA GLY 4 4.897 -3.964 0.885
17 H SER 5 H SER 5 2.641 -4.250 1.876
18 HA SER 5 HA SER 5 3.019 -5.310 4.532
19 HB2 SER 5 1HB SER 5 2.433 -3.111 5.230
20 HB3 SER 5 2HB SER 5 1.152 -2.991 4.024
21 HG SER 5 HG SER 5 -0.113 -4.292 5.211
22 H SER 6 H SER 6 1.114 -6.543 5.269
23 HA SER 6 HA SER 6 0.173 -8.286 3.325
24 HB2 SER 6 1HB SER 6 0.225 -8.624 5.854
25 HB3 SER 6 2HB SER 6 -1.292 -7.726 5.905
26 HG SER 6 HG SER 6 -0.851 -10.304 5.225
27 H GLY 7 H GLY 7 -1.780 -8.529 2.243
28 HA2 GLY 7 1HA GLY 7 -3.732 -6.350 2.451
29 HA3 GLY 7 2HA GLY 7 -2.986 -6.647 0.888
30 H THR 8 H THR 8 -5.806 -6.864 1.815
31 HA THR 8 HA THR 8 -6.312 -9.501 0.674
32 HB THR 8 HB THR 8 -6.345 -9.926 3.079
33 HG1 THR 8 HG1 THR 8 -8.105 -10.674 1.456
34 HG21 THR 8 3HG2 THR 8 -8.745 -8.278 3.557
35 HG22 THR 8 1HG2 THR 8 -7.231 -7.392 3.383
36 HG23 THR 8 2HG2 THR 8 -7.387 -8.638 4.621
37 H GLY 9 H GLY 9 -8.168 -9.616 -0.524
38 HA2 GLY 9 1HA GLY 9 -10.341 -8.922 -1.183
39 HA3 GLY 9 2HA GLY 9 -10.063 -7.383 -0.381
40 H GLU 10 H GLU 10 -11.004 -6.637 -2.486
41 HA GLU 10 HA GLU 10 -8.853 -6.321 -4.475
42 HB2 GLU 10 1HB GLU 10 -11.822 -6.625 -4.921
43 HB3 GLU 10 2HB GLU 10 -10.714 -6.065 -6.165
44 HG2 GLU 10 1HG GLU 10 -10.315 -8.679 -4.754
45 HG3 GLU 10 2HG GLU 10 -11.355 -8.528 -6.169
46 H LYS 11 H LYS 11 -8.173 -4.304 -4.683
47 HA LYS 11 HA LYS 11 -9.978 -2.119 -3.879
48 HB2 LYS 11 1HB LYS 11 -7.008 -2.473 -3.691
49 HB3 LYS 11 2HB LYS 11 -7.687 -0.852 -3.773
50 HG2 LYS 11 1HG LYS 11 -7.562 -1.158 -1.512
51 HG3 LYS 11 2HG LYS 11 -9.208 -1.711 -1.828
52 HD2 LYS 11 1HD LYS 11 -8.384 -4.032 -1.915
53 HD3 LYS 11 2HD LYS 11 -6.760 -3.454 -1.534
54 HE2 LYS 11 1HE LYS 11 -7.651 -4.181 0.515
55 HE3 LYS 11 2HE LYS 11 -7.786 -2.423 0.552
56 HZ1 LYS 11 3HZ LYS 11 -9.843 -4.395 0.670
57 HZ2 LYS 11 1HZ LYS 11 -10.133 -3.277 -0.566
58 HZ3 LYS 11 2HZ LYS 11 -9.918 -2.743 1.024
59 HA PRO 12 HA PRO 12 -10.024 -0.774 -8.082
60 HB2 PRO 12 1HB PRO 12 -10.901 1.760 -7.663
61 HB3 PRO 12 2HB PRO 12 -11.954 0.346 -7.535
62 HG2 PRO 12 1HG PRO 12 -10.594 1.897 -5.365
63 HG3 PRO 12 2HG PRO 12 -12.249 1.264 -5.419
64 HD2 PRO 12 1HD PRO 12 -10.257 0.022 -4.068
65 HD3 PRO 12 2HD PRO 12 -11.587 -0.867 -4.839
66 H TYR 13 H TYR 13 -8.059 0.597 -5.627
67 HA TYR 13 HA TYR 13 -6.463 1.994 -7.672
68 HB2 TYR 13 1HB TYR 13 -6.650 2.758 -4.754
69 HB3 TYR 13 2HB TYR 13 -5.820 3.640 -6.031
70 HD1 TYR 13 HD2 TYR 13 -7.654 3.884 -8.177
71 HD2 TYR 13 HD1 TYR 13 -8.482 3.933 -4.003
72 HE1 TYR 13 HE2 TYR 13 -9.693 5.192 -8.602
73 HE2 TYR 13 HE1 TYR 13 -10.524 5.240 -4.418
74 HH TYR 13 HH TYR 13 -11.631 5.930 -7.691
75 H ILE 14 H ILE 14 -4.457 1.273 -7.928
76 HA ILE 14 HA ILE 14 -3.121 -0.083 -5.695
77 HB ILE 14 HB ILE 14 -3.272 -1.169 -8.510
78 HG12 ILE 14 1HG1 ILE 14 -5.244 -1.503 -6.898
79 HG13 ILE 14 2HG1 ILE 14 -4.562 -2.942 -7.649
80 HG21 ILE 14 1HG2 ILE 14 -1.855 -2.385 -6.150
81 HG22 ILE 14 2HG2 ILE 14 -1.807 -2.909 -7.832
82 HG23 ILE 14 3HG2 ILE 14 -1.045 -1.390 -7.360
83 HD11 ILE 14 3HD1 ILE 14 -3.471 -3.577 -5.663
84 HD12 ILE 14 1HD1 ILE 14 -3.757 -2.006 -4.915
85 HD13 ILE 14 2HD1 ILE 14 -5.106 -3.107 -5.198
86 H CYS 15 H CYS 15 -1.071 0.537 -5.424
87 HA CYS 15 HA CYS 15 0.053 2.494 -7.220
88 HB2 CYS 15 1HB CYS 15 0.249 2.700 -4.753
89 HB3 CYS 15 2HB CYS 15 1.254 1.254 -4.736
90 H ALA 16 H ALA 16 0.304 1.151 -9.097
91 HA ALA 16 HA ALA 16 1.633 -1.210 -9.376
92 HB1 ALA 16 3HB ALA 16 1.372 1.182 -11.122
93 HB2 ALA 16 1HB ALA 16 2.506 -0.083 -11.597
94 HB3 ALA 16 2HB ALA 16 0.799 -0.468 -11.368
95 H GLU 17 H GLU 17 3.063 1.987 -8.944
96 HA GLU 17 HA GLU 17 5.671 1.664 -9.534
97 HB2 GLU 17 1HB GLU 17 4.613 2.896 -6.984
98 HB3 GLU 17 2HB GLU 17 6.219 3.161 -7.647
99 HG2 GLU 17 1HG GLU 17 3.838 3.753 -9.332
100 HG3 GLU 17 2HG GLU 17 4.300 4.880 -8.059
101 H CYS 18 H CYS 18 4.278 0.724 -6.387
102 HA CYS 18 HA CYS 18 6.543 -1.129 -6.046
103 HB2 CYS 18 1HB CYS 18 6.225 -0.919 -3.638
104 HB3 CYS 18 2HB CYS 18 6.460 0.669 -4.359
105 H GLY 19 H GLY 19 3.068 -0.712 -5.430
106 HA2 GLY 19 1HA GLY 19 1.693 -2.634 -6.255
107 HA3 GLY 19 2HA GLY 19 2.831 -3.658 -5.391
108 H LYS 20 H LYS 20 1.494 -0.594 -4.264
109 HA LYS 20 HA LYS 20 0.613 -1.875 -1.825
110 HB2 LYS 20 1HB LYS 20 0.944 0.925 -2.778
111 HB3 LYS 20 2HB LYS 20 -0.221 0.641 -1.492
112 HG2 LYS 20 1HG LYS 20 2.525 -0.488 -1.242
113 HG3 LYS 20 2HG LYS 20 2.257 1.230 -0.934
114 HD2 LYS 20 1HD LYS 20 2.071 0.108 1.156
115 HD3 LYS 20 2HD LYS 20 0.436 0.554 0.662
116 HE2 LYS 20 1HE LYS 20 -0.143 -1.632 0.155
117 HE3 LYS 20 2HE LYS 20 1.534 -2.137 -0.042
118 HZ1 LYS 20 3HZ LYS 20 1.400 -2.914 2.017
119 HZ2 LYS 20 1HZ LYS 20 -0.093 -2.168 2.294
120 HZ3 LYS 20 2HZ LYS 20 1.341 -1.315 2.566
121 H ALA 21 H ALA 21 -1.603 -0.780 -0.992
122 HA ALA 21 HA ALA 21 -3.624 -0.875 -3.099
123 HB1 ALA 21 3HB ALA 21 -4.752 -2.382 -1.037
124 HB2 ALA 21 1HB ALA 21 -4.240 -2.955 -2.625
125 HB3 ALA 21 2HB ALA 21 -3.127 -3.031 -1.258
126 H PHE 22 H PHE 22 -5.380 0.387 -2.701
127 HA PHE 22 HA PHE 22 -5.809 1.443 -0.015
128 HB2 PHE 22 1HB PHE 22 -5.428 3.229 -2.427
129 HB3 PHE 22 2HB PHE 22 -5.876 3.763 -0.810
130 HD1 PHE 22 HD1 PHE 22 -4.247 3.680 1.020
131 HD2 PHE 22 HD2 PHE 22 -3.174 2.680 -2.975
132 HE1 PHE 22 HE1 PHE 22 -1.868 3.909 1.605
133 HE2 PHE 22 HE2 PHE 22 -0.793 2.906 -2.396
134 HZ PHE 22 HZ PHE 22 -0.138 3.521 -0.103
135 H THR 23 H THR 23 -7.863 2.653 0.155
136 HA THR 23 HA THR 23 -9.886 1.398 -1.547
137 HB THR 23 HB THR 23 -10.267 2.934 1.031
138 HG1 THR 23 HG1 THR 23 -10.549 0.140 0.777
139 HG21 THR 23 3HG2 THR 23 -12.388 2.978 0.252
140 HG22 THR 23 1HG2 THR 23 -12.412 1.298 0.783
141 HG23 THR 23 2HG2 THR 23 -12.099 1.683 -0.909
142 H ILE 24 H ILE 24 -9.102 4.603 -0.204
143 HA ILE 24 HA ILE 24 -10.938 5.885 -2.050
144 HB ILE 24 HB ILE 24 -9.030 7.292 -0.196
145 HG12 ILE 24 1HG1 ILE 24 -11.782 6.203 0.438
146 HG13 ILE 24 2HG1 ILE 24 -10.261 5.656 1.136
147 HG21 ILE 24 1HG2 ILE 24 -10.568 9.104 -0.323
148 HG22 ILE 24 2HG2 ILE 24 -10.264 8.559 -1.972
149 HG23 ILE 24 3HG2 ILE 24 -11.763 8.111 -1.157
150 HD11 ILE 24 3HD1 ILE 24 -10.483 7.144 2.749
151 HD12 ILE 24 1HD1 ILE 24 -10.442 8.445 1.559
152 HD13 ILE 24 2HD1 ILE 24 -11.983 7.722 2.023
153 H ARG 25 H ARG 25 -10.349 7.357 -3.656
154 HA ARG 25 HA ARG 25 -8.050 6.721 -5.141
155 HB2 ARG 25 1HB ARG 25 -10.272 7.806 -5.904
156 HB3 ARG 25 2HB ARG 25 -9.521 9.325 -5.433
157 HG2 ARG 25 1HG ARG 25 -7.574 8.548 -6.956
158 HG3 ARG 25 2HG ARG 25 -8.781 7.456 -7.640
159 HD2 ARG 25 1HD ARG 25 -10.150 9.248 -8.336
160 HD3 ARG 25 2HD ARG 25 -9.261 10.409 -7.350
161 HE ARG 25 HE ARG 25 -7.662 9.138 -9.374
162 HH11 ARG 25 1HH1 ARG 25 -9.826 11.771 -8.661
163 HH12 ARG 25 2HH1 ARG 25 -9.232 12.777 -9.941
164 HH21 ARG 25 1HH2 ARG 25 -6.872 10.454 -11.062
165 HH22 ARG 25 2HH2 ARG 25 -7.553 12.027 -11.306
166 H SER 26 H SER 26 -8.801 9.538 -3.109
167 HA SER 26 HA SER 26 -6.390 10.913 -3.532
168 HB2 SER 26 1HB SER 26 -6.957 12.110 -1.416
169 HB3 SER 26 2HB SER 26 -8.300 12.041 -2.557
170 HG SER 26 HG SER 26 -8.832 10.021 -1.261
171 H ASN 27 H ASN 27 -7.317 8.495 -1.128
172 HA ASN 27 HA ASN 27 -5.232 8.577 0.629
173 HB2 ASN 27 1HB ASN 27 -6.901 6.350 -0.448
174 HB3 ASN 27 2HB ASN 27 -5.500 5.936 0.535
175 HD21 ASN 27 1HD2 ASN 27 -7.838 8.592 0.718
176 HD22 ASN 27 2HD2 ASN 27 -8.341 8.265 2.338
177 H LEU 28 H LEU 28 -5.270 6.890 -2.499
178 HA LEU 28 HA LEU 28 -2.739 5.752 -2.394
179 HB2 LEU 28 1HB LEU 28 -4.176 5.087 -4.133
180 HB3 LEU 28 2HB LEU 28 -4.411 6.746 -4.681
181 HG LEU 28 HG LEU 28 -2.170 6.805 -5.587
182 HD11 LEU 28 1HD1 LEU 28 -1.377 5.123 -3.748
183 HD12 LEU 28 2HD1 LEU 28 -0.569 5.185 -5.314
184 HD13 LEU 28 3HD1 LEU 28 -1.749 3.917 -4.981
185 HD21 LEU 28 3HD2 LEU 28 -4.267 5.369 -6.602
186 HD22 LEU 28 1HD2 LEU 28 -2.941 4.208 -6.680
187 HD23 LEU 28 2HD2 LEU 28 -2.788 5.775 -7.475
188 H ILE 29 H ILE 29 -3.582 8.755 -4.131
189 HA ILE 29 HA ILE 29 -1.243 9.714 -4.941
190 HB ILE 29 HB ILE 29 -3.347 11.266 -3.442
191 HG12 ILE 29 1HG1 ILE 29 -3.491 12.107 -5.986
192 HG13 ILE 29 2HG1 ILE 29 -2.844 10.494 -6.268
193 HG21 ILE 29 1HG2 ILE 29 -1.243 12.467 -3.259
194 HG22 ILE 29 2HG2 ILE 29 -0.998 12.337 -5.000
195 HG23 ILE 29 3HG2 ILE 29 -2.333 13.300 -4.366
196 HD11 ILE 29 3HD1 ILE 29 -4.889 10.054 -4.482
197 HD12 ILE 29 1HD1 ILE 29 -5.519 11.325 -5.529
198 HD13 ILE 29 2HD1 ILE 29 -4.953 9.807 -6.227
199 H LYS 30 H LYS 30 -2.352 10.182 -1.583
200 HA LYS 30 HA LYS 30 -0.214 11.476 -0.503
201 HB2 LYS 30 1HB LYS 30 -1.734 9.201 0.785
202 HB3 LYS 30 2HB LYS 30 -0.766 10.396 1.638
203 HG2 LYS 30 1HG LYS 30 -2.269 12.153 1.004
204 HG3 LYS 30 2HG LYS 30 -3.181 11.054 -0.033
205 HD2 LYS 30 1HD LYS 30 -3.630 9.687 2.058
206 HD3 LYS 30 2HD LYS 30 -2.996 11.058 2.971
207 HE2 LYS 30 1HE LYS 30 -4.696 12.498 1.867
208 HE3 LYS 30 2HE LYS 30 -5.371 11.056 1.112
209 HZ1 LYS 30 3HZ LYS 30 -5.687 12.032 3.791
210 HZ2 LYS 30 1HZ LYS 30 -5.258 10.396 3.739
211 HZ3 LYS 30 2HZ LYS 30 -6.638 10.934 2.923
212 H HIS 31 H HIS 31 -0.503 7.971 -0.992
213 HA HIS 31 HA HIS 31 1.981 7.276 0.133
214 HB2 HIS 31 1HB HIS 31 0.335 5.566 -0.209
215 HB3 HIS 31 2HB HIS 31 0.266 5.897 -1.938
216 HD1 HIS 31 HD1 HIS 31 2.419 4.258 0.665
217 HD2 HIS 31 HD2 HIS 31 2.227 4.661 -3.466
218 HE1 HIS 31 HE1 HIS 31 4.091 2.617 -0.250
219 H GLN 32 H GLN 32 1.038 8.126 -3.166
220 HA GLN 32 HA GLN 32 3.327 7.496 -4.553
221 HB2 GLN 32 1HB GLN 32 1.577 9.935 -4.911
222 HB3 GLN 32 2HB GLN 32 2.730 9.336 -6.096
223 HG2 GLN 32 1HG GLN 32 0.631 7.485 -5.097
224 HG3 GLN 32 2HG GLN 32 0.176 8.747 -6.242
225 HE21 GLN 32 1HE2 GLN 32 1.239 5.636 -5.944
226 HE22 GLN 32 2HE2 GLN 32 1.874 5.401 -7.533
227 H LYS 33 H LYS 33 2.955 9.804 -2.071
228 HA LYS 33 HA LYS 33 4.830 11.748 -2.696
229 HB2 LYS 33 1HB LYS 33 3.933 10.563 -0.082
230 HB3 LYS 33 2HB LYS 33 5.167 11.816 -0.131
231 HG2 LYS 33 1HG LYS 33 3.652 13.372 -1.116
232 HG3 LYS 33 2HG LYS 33 2.432 12.118 -1.347
233 HD2 LYS 33 1HD LYS 33 1.639 13.084 0.568
234 HD3 LYS 33 2HD LYS 33 2.707 11.866 1.270
235 HE2 LYS 33 1HE LYS 33 4.486 13.556 1.441
236 HE3 LYS 33 2HE LYS 33 3.385 14.766 0.783
237 HZ1 LYS 33 3HZ LYS 33 3.557 13.703 3.451
238 HZ2 LYS 33 1HZ LYS 33 1.978 13.731 2.843
239 HZ3 LYS 33 2HZ LYS 33 2.885 15.157 2.907
240 H ILE 34 H ILE 34 5.335 8.646 -1.030
241 HA ILE 34 HA ILE 34 8.120 8.960 -0.678
242 HB ILE 34 HB ILE 34 8.190 6.607 -0.157
243 HG12 ILE 34 1HG1 ILE 34 5.313 6.225 -0.863
244 HG13 ILE 34 2HG1 ILE 34 6.508 6.154 -2.153
245 HG21 ILE 34 1HG2 ILE 34 7.380 7.612 1.716
246 HG22 ILE 34 2HG2 ILE 34 5.966 8.264 0.890
247 HG23 ILE 34 3HG2 ILE 34 6.009 6.564 1.355
248 HD11 ILE 34 3HD1 ILE 34 7.545 4.554 -0.131
249 HD12 ILE 34 1HD1 ILE 34 5.821 4.185 -0.173
250 HD13 ILE 34 2HD1 ILE 34 6.794 4.023 -1.635
251 H HIS 35 H HIS 35 6.276 8.361 -3.448
252 HA HIS 35 HA HIS 35 8.481 7.044 -4.853
253 HB2 HIS 35 1HB HIS 35 5.580 7.492 -5.523
254 HB3 HIS 35 2HB HIS 35 6.739 6.979 -6.746
255 HD1 HIS 35 HD1 HIS 35 8.201 4.734 -5.789
256 HD2 HIS 35 HD2 HIS 35 4.326 5.375 -4.435
257 HE1 HIS 35 HE1 HIS 35 7.414 2.508 -4.926
258 H THR 36 H THR 36 6.806 10.073 -4.607
259 HA THR 36 HA THR 36 8.089 11.138 -6.999
260 HB THR 36 HB THR 36 6.247 12.538 -5.051
261 HG1 THR 36 HG1 THR 36 5.698 11.316 -7.570
262 HG21 THR 36 3HG2 THR 36 7.696 14.029 -6.394
263 HG22 THR 36 1HG2 THR 36 5.988 14.201 -6.794
264 HG23 THR 36 2HG2 THR 36 7.056 13.290 -7.861
265 H LYS 37 H LYS 37 10.211 11.501 -6.645
266 HA LYS 37 HA LYS 37 10.921 13.608 -4.798
267 HB2 LYS 37 1HB LYS 37 12.631 12.359 -3.617
268 HB3 LYS 37 2HB LYS 37 11.072 11.578 -3.394
269 HG2 LYS 37 1HG LYS 37 11.883 10.175 -5.484
270 HG3 LYS 37 2HG LYS 37 13.469 10.649 -4.871
271 HD2 LYS 37 1HD LYS 37 12.679 9.809 -2.607
272 HD3 LYS 37 2HD LYS 37 11.320 9.081 -3.465
273 HE2 LYS 37 1HE LYS 37 14.092 8.563 -4.433
274 HE3 LYS 37 2HE LYS 37 13.517 7.715 -2.999
275 HZ1 LYS 37 3HZ LYS 37 11.498 7.523 -4.880
276 HZ2 LYS 37 1HZ LYS 37 12.528 6.289 -4.352
277 HZ3 LYS 37 2HZ LYS 37 12.933 7.202 -5.717
278 H GLN 38 H GLN 38 12.760 14.702 -5.399
279 HA GLN 38 HA GLN 38 14.325 13.619 -7.631
280 HB2 GLN 38 1HB GLN 38 12.882 16.255 -7.545
281 HB3 GLN 38 2HB GLN 38 14.303 16.031 -8.556
282 HG2 GLN 38 1HG GLN 38 13.239 14.586 -9.978
283 HG3 GLN 38 2HG GLN 38 12.071 14.075 -8.760
284 HE21 GLN 38 1HE2 GLN 38 10.369 14.412 -10.210
285 HE22 GLN 38 2HE2 GLN 38 9.806 15.999 -10.597
286 H LYS 39 H LYS 39 16.336 14.925 -8.015
287 HA LYS 39 HA LYS 39 17.749 15.214 -5.567
288 HB2 LYS 39 1HB LYS 39 19.623 15.974 -7.024
289 HB3 LYS 39 2HB LYS 39 18.922 14.439 -7.521
290 HG2 LYS 39 1HG LYS 39 17.629 15.614 -9.252
291 HG3 LYS 39 2HG LYS 39 18.402 17.128 -8.775
292 HD2 LYS 39 1HD LYS 39 20.009 14.724 -9.587
293 HD3 LYS 39 2HD LYS 39 19.379 15.863 -10.780
294 HE2 LYS 39 1HE LYS 39 20.496 17.615 -9.129
295 HE3 LYS 39 2HE LYS 39 21.500 16.223 -8.730
296 HZ1 LYS 39 3HZ LYS 39 21.089 17.316 -11.462
297 HZ2 LYS 39 1HZ LYS 39 22.078 16.004 -11.057
298 HZ3 LYS 39 2HZ LYS 39 22.465 17.555 -10.507
299 HA PRO 40 HA PRO 40 16.849 19.436 -4.647
300 HB2 PRO 40 1HB PRO 40 18.890 19.891 -2.915
301 HB3 PRO 40 2HB PRO 40 17.467 18.931 -2.492
302 HG2 PRO 40 1HG PRO 40 20.185 18.013 -3.346
303 HG3 PRO 40 2HG PRO 40 19.144 17.381 -2.057
304 HD2 PRO 40 1HD PRO 40 19.347 16.190 -4.480
305 HD3 PRO 40 2HD PRO 40 17.850 16.164 -3.525
306 H SER 41 H SER 41 18.387 21.499 -4.230
307 HA SER 41 HA SER 41 19.336 22.292 -6.717
308 HB2 SER 41 1HB SER 41 19.800 23.351 -3.937
309 HB3 SER 41 2HB SER 41 20.557 24.108 -5.339
310 HG SER 41 HG SER 41 17.961 24.205 -4.487
311 H GLY 42 H GLY 42 21.125 21.045 -3.920
312 HA2 GLY 42 1HA GLY 42 23.161 19.933 -5.581
313 HA3 GLY 42 2HA GLY 42 23.721 21.398 -4.787
314 HA PRO 43 HA PRO 43 24.820 19.040 -1.260
315 HB2 PRO 43 1HB PRO 43 24.522 20.891 0.705
316 HB3 PRO 43 2HB PRO 43 25.846 20.937 -0.466
317 HG2 PRO 43 1HG PRO 43 23.278 22.476 -0.448
318 HG3 PRO 43 2HG PRO 43 24.918 23.040 -0.820
319 HD2 PRO 43 1HD PRO 43 23.107 22.454 -2.746
320 HD3 PRO 43 2HD PRO 43 24.851 22.210 -2.969
321 H SER 44 H SER 44 23.869 17.687 0.165
322 HA SER 44 HA SER 44 21.046 18.200 0.844
323 HB2 SER 44 1HB SER 44 20.627 15.844 0.769
324 HB3 SER 44 2HB SER 44 21.504 16.252 -0.705
325 HG SER 44 HG SER 44 22.376 14.847 1.561
326 H SER 45 H SER 45 20.382 17.951 2.932
327 HA SER 45 HA SER 45 22.398 17.117 4.906
328 HB2 SER 45 1HB SER 45 21.921 19.701 4.619
329 HB3 SER 45 2HB SER 45 20.498 19.324 5.590
330 HG SER 45 HG SER 45 21.863 18.524 7.198
331 H GLY 46 H GLY 46 21.681 15.509 6.129
332 HA2 GLY 46 1HA GLY 46 18.789 15.021 6.259
333 HA3 GLY 46 2HA GLY 46 20.049 13.847 6.614
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -5.736 -27.938 -1.759
2 HA2 GLY 1 1HA GLY 1 -5.186 -25.848 -2.835
3 HA3 GLY 1 2HA GLY 1 -5.800 -26.516 -4.340
4 H SER 2 H SER 2 -6.541 -24.752 -1.512
5 HA SER 2 HA SER 2 -9.406 -24.770 -2.193
6 HB2 SER 2 1HB SER 2 -8.878 -25.510 0.108
7 HB3 SER 2 2HB SER 2 -8.092 -23.961 0.413
8 HG SER 2 HG SER 2 -10.700 -23.887 -0.552
9 H SER 3 H SER 3 -9.946 -23.096 -3.420
10 HA SER 3 HA SER 3 -9.113 -20.419 -2.608
11 HB2 SER 3 1HB SER 3 -7.476 -21.165 -4.328
12 HB3 SER 3 2HB SER 3 -8.809 -21.397 -5.458
13 HG SER 3 HG SER 3 -7.648 -19.320 -5.551
14 H GLY 4 H GLY 4 -10.542 -18.782 -3.207
15 HA2 GLY 4 1HA GLY 4 -12.652 -19.022 -5.031
16 HA3 GLY 4 2HA GLY 4 -13.248 -19.526 -3.457
17 H SER 5 H SER 5 -12.257 -16.871 -5.430
18 HA SER 5 HA SER 5 -13.097 -15.020 -3.296
19 HB2 SER 5 1HB SER 5 -10.865 -14.680 -5.307
20 HB3 SER 5 2HB SER 5 -11.508 -13.356 -4.335
21 HG SER 5 HG SER 5 -9.589 -14.617 -3.536
22 H SER 6 H SER 6 -14.639 -13.588 -3.815
23 HA SER 6 HA SER 6 -15.371 -13.323 -6.658
24 HB2 SER 6 1HB SER 6 -16.930 -14.678 -5.030
25 HB3 SER 6 2HB SER 6 -17.435 -13.074 -4.499
26 HG SER 6 HG SER 6 -18.459 -14.287 -6.459
27 H GLY 7 H GLY 7 -14.205 -11.393 -6.876
28 HA2 GLY 7 1HA GLY 7 -13.695 -9.154 -6.524
29 HA3 GLY 7 2HA GLY 7 -15.435 -9.017 -6.730
30 H THR 8 H THR 8 -13.115 -9.928 -4.179
31 HA THR 8 HA THR 8 -14.794 -8.447 -2.266
32 HB THR 8 HB THR 8 -14.579 -10.818 -1.708
33 HG1 THR 8 HG1 THR 8 -14.185 -10.417 0.389
34 HG21 THR 8 3HG2 THR 8 -12.279 -10.998 -2.825
35 HG22 THR 8 1HG2 THR 8 -12.532 -11.909 -1.337
36 HG23 THR 8 2HG2 THR 8 -11.631 -10.394 -1.301
37 H GLY 9 H GLY 9 -14.014 -6.482 -1.864
38 HA2 GLY 9 1HA GLY 9 -11.946 -5.658 -0.493
39 HA3 GLY 9 2HA GLY 9 -11.119 -6.033 -1.997
40 H GLU 10 H GLU 10 -12.429 -3.587 -0.261
41 HA GLU 10 HA GLU 10 -13.520 -2.086 -2.497
42 HB2 GLU 10 1HB GLU 10 -13.350 -1.680 0.457
43 HB3 GLU 10 2HB GLU 10 -13.564 -0.272 -0.573
44 HG2 GLU 10 1HG GLU 10 -15.573 -1.303 -1.537
45 HG3 GLU 10 2HG GLU 10 -15.370 -2.676 -0.451
46 H LYS 11 H LYS 11 -10.908 -2.729 -2.986
47 HA LYS 11 HA LYS 11 -9.600 -0.100 -2.802
48 HB2 LYS 11 1HB LYS 11 -7.407 -1.338 -2.667
49 HB3 LYS 11 2HB LYS 11 -8.416 -1.439 -1.230
50 HG2 LYS 11 1HG LYS 11 -8.621 -3.585 -3.282
51 HG3 LYS 11 2HG LYS 11 -7.228 -3.560 -2.198
52 HD2 LYS 11 1HD LYS 11 -10.045 -3.375 -1.168
53 HD3 LYS 11 2HD LYS 11 -9.267 -4.929 -1.477
54 HE2 LYS 11 1HE LYS 11 -7.909 -2.857 0.204
55 HE3 LYS 11 2HE LYS 11 -9.155 -3.892 0.900
56 HZ1 LYS 11 3HZ LYS 11 -7.134 -5.287 -0.625
57 HZ2 LYS 11 1HZ LYS 11 -7.805 -5.661 0.882
58 HZ3 LYS 11 2HZ LYS 11 -6.556 -4.527 0.771
59 HA PRO 12 HA PRO 12 -9.952 -1.524 -7.205
60 HB2 PRO 12 1HB PRO 12 -10.789 0.877 -8.155
61 HB3 PRO 12 2HB PRO 12 -11.896 -0.337 -7.504
62 HG2 PRO 12 1HG PRO 12 -10.766 2.100 -6.182
63 HG3 PRO 12 2HG PRO 12 -12.422 1.468 -6.135
64 HD2 PRO 12 1HD PRO 12 -10.658 1.079 -4.119
65 HD3 PRO 12 2HD PRO 12 -11.910 -0.108 -4.534
66 H TYR 13 H TYR 13 -8.363 1.068 -5.537
67 HA TYR 13 HA TYR 13 -6.594 1.571 -7.819
68 HB2 TYR 13 1HB TYR 13 -6.637 3.039 -5.180
69 HB3 TYR 13 2HB TYR 13 -5.886 3.557 -6.685
70 HD1 TYR 13 HD1 TYR 13 -9.073 3.145 -4.901
71 HD2 TYR 13 HD2 TYR 13 -7.190 4.568 -8.441
72 HE1 TYR 13 HE1 TYR 13 -11.129 4.353 -5.501
73 HE2 TYR 13 HE2 TYR 13 -9.240 5.782 -9.050
74 HH TYR 13 HH TYR 13 -12.185 5.504 -7.111
75 H ILE 14 H ILE 14 -4.486 1.010 -7.831
76 HA ILE 14 HA ILE 14 -3.221 0.079 -5.371
77 HB ILE 14 HB ILE 14 -3.355 -1.618 -7.867
78 HG12 ILE 14 1HG1 ILE 14 -4.420 -2.209 -5.100
79 HG13 ILE 14 2HG1 ILE 14 -5.410 -1.590 -6.417
80 HG21 ILE 14 1HG2 ILE 14 -1.204 -1.519 -6.379
81 HG22 ILE 14 2HG2 ILE 14 -2.159 -2.525 -5.291
82 HG23 ILE 14 3HG2 ILE 14 -1.834 -3.068 -6.937
83 HD11 ILE 14 3HD1 ILE 14 -4.430 -4.290 -5.906
84 HD12 ILE 14 1HD1 ILE 14 -5.833 -3.740 -6.821
85 HD13 ILE 14 2HD1 ILE 14 -4.239 -3.754 -7.575
86 H CYS 15 H CYS 15 -1.269 0.947 -5.221
87 HA CYS 15 HA CYS 15 -0.093 2.438 -7.316
88 HB2 CYS 15 1HB CYS 15 0.267 2.933 -4.922
89 HB3 CYS 15 2HB CYS 15 1.177 1.435 -4.759
90 H ALA 16 H ALA 16 0.558 1.423 -9.118
91 HA ALA 16 HA ALA 16 1.601 -1.203 -9.212
92 HB1 ALA 16 3HB ALA 16 1.379 -0.952 -11.414
93 HB2 ALA 16 1HB ALA 16 0.712 0.643 -11.064
94 HB3 ALA 16 2HB ALA 16 2.427 0.467 -11.436
95 H GLU 17 H GLU 17 3.133 1.986 -9.168
96 HA GLU 17 HA GLU 17 5.701 1.576 -9.772
97 HB2 GLU 17 1HB GLU 17 4.466 3.113 -7.524
98 HB3 GLU 17 2HB GLU 17 6.218 3.001 -7.617
99 HG2 GLU 17 1HG GLU 17 5.819 3.753 -10.096
100 HG3 GLU 17 2HG GLU 17 4.305 4.368 -9.436
101 H CYS 18 H CYS 18 4.410 0.834 -6.530
102 HA CYS 18 HA CYS 18 6.677 -1.007 -6.149
103 HB2 CYS 18 1HB CYS 18 6.203 -0.751 -3.705
104 HB3 CYS 18 2HB CYS 18 6.710 0.739 -4.494
105 H GLY 19 H GLY 19 3.216 -0.606 -5.411
106 HA2 GLY 19 1HA GLY 19 1.863 -2.590 -6.203
107 HA3 GLY 19 2HA GLY 19 3.009 -3.550 -5.278
108 H LYS 20 H LYS 20 1.392 -0.488 -4.484
109 HA LYS 20 HA LYS 20 0.468 -1.720 -1.989
110 HB2 LYS 20 1HB LYS 20 1.815 0.549 -2.234
111 HB3 LYS 20 2HB LYS 20 0.209 1.206 -2.521
112 HG2 LYS 20 1HG LYS 20 0.338 1.478 -0.269
113 HG3 LYS 20 2HG LYS 20 -0.357 -0.144 -0.327
114 HD2 LYS 20 1HD LYS 20 1.909 -1.093 -0.104
115 HD3 LYS 20 2HD LYS 20 2.562 0.542 0.024
116 HE2 LYS 20 1HE LYS 20 2.364 -0.224 2.239
117 HE3 LYS 20 2HE LYS 20 0.990 0.853 1.994
118 HZ1 LYS 20 3HZ LYS 20 0.720 -1.524 3.063
119 HZ2 LYS 20 1HZ LYS 20 0.594 -1.988 1.440
120 HZ3 LYS 20 2HZ LYS 20 -0.483 -0.852 2.081
121 H ALA 21 H ALA 21 -1.692 -1.172 -1.204
122 HA ALA 21 HA ALA 21 -3.606 -0.764 -3.410
123 HB1 ALA 21 3HB ALA 21 -3.393 -2.921 -1.475
124 HB2 ALA 21 1HB ALA 21 -4.993 -2.178 -1.491
125 HB3 ALA 21 2HB ALA 21 -4.311 -2.835 -2.979
126 H PHE 22 H PHE 22 -5.455 0.445 -2.985
127 HA PHE 22 HA PHE 22 -5.819 1.604 -0.346
128 HB2 PHE 22 1HB PHE 22 -5.334 3.341 -2.775
129 HB3 PHE 22 2HB PHE 22 -5.777 3.914 -1.171
130 HD1 PHE 22 HD1 PHE 22 -4.174 3.560 0.728
131 HD2 PHE 22 HD2 PHE 22 -3.100 2.911 -3.339
132 HE1 PHE 22 HE1 PHE 22 -1.794 3.693 1.339
133 HE2 PHE 22 HE2 PHE 22 -0.719 3.042 -2.735
134 HZ PHE 22 HZ PHE 22 -0.063 3.433 -0.394
135 H THR 23 H THR 23 -7.837 2.812 -0.160
136 HA THR 23 HA THR 23 -9.880 1.672 -1.912
137 HB THR 23 HB THR 23 -10.281 3.203 0.662
138 HG1 THR 23 HG1 THR 23 -9.653 1.424 1.604
139 HG21 THR 23 3HG2 THR 23 -12.451 3.065 0.186
140 HG22 THR 23 1HG2 THR 23 -12.323 1.308 0.119
141 HG23 THR 23 2HG2 THR 23 -12.076 2.267 -1.341
142 H ILE 24 H ILE 24 -9.113 4.829 -0.438
143 HA ILE 24 HA ILE 24 -10.795 6.172 -2.397
144 HB ILE 24 HB ILE 24 -9.126 7.490 -0.264
145 HG12 ILE 24 1HG1 ILE 24 -12.010 6.636 0.012
146 HG13 ILE 24 2HG1 ILE 24 -10.663 5.696 0.646
147 HG21 ILE 24 1HG2 ILE 24 -11.303 8.324 -2.102
148 HG22 ILE 24 2HG2 ILE 24 -11.254 9.047 -0.495
149 HG23 ILE 24 3HG2 ILE 24 -9.868 9.202 -1.574
150 HD11 ILE 24 3HD1 ILE 24 -10.221 7.199 2.307
151 HD12 ILE 24 1HD1 ILE 24 -10.899 8.559 1.411
152 HD13 ILE 24 2HD1 ILE 24 -11.969 7.375 2.162
153 H ARG 25 H ARG 25 -10.049 7.005 -4.228
154 HA ARG 25 HA ARG 25 -7.597 6.680 -5.316
155 HB2 ARG 25 1HB ARG 25 -9.423 7.534 -6.632
156 HB3 ARG 25 2HB ARG 25 -9.472 9.017 -5.689
157 HG2 ARG 25 1HG ARG 25 -8.367 9.731 -7.555
158 HG3 ARG 25 2HG ARG 25 -7.007 9.274 -6.528
159 HD2 ARG 25 1HD ARG 25 -6.912 7.092 -7.644
160 HD3 ARG 25 2HD ARG 25 -8.257 7.569 -8.680
161 HE ARG 25 HE ARG 25 -6.477 9.512 -9.158
162 HH11 ARG 25 1HH1 ARG 25 -6.157 6.047 -9.071
163 HH12 ARG 25 2HH1 ARG 25 -4.883 6.004 -10.245
164 HH21 ARG 25 1HH2 ARG 25 -4.801 9.469 -10.704
165 HH22 ARG 25 2HH2 ARG 25 -4.112 7.952 -11.173
166 H SER 26 H SER 26 -8.549 9.210 -3.076
167 HA SER 26 HA SER 26 -6.214 10.796 -3.345
168 HB2 SER 26 1HB SER 26 -8.317 11.656 -2.374
169 HB3 SER 26 2HB SER 26 -8.108 10.583 -0.991
170 HG SER 26 HG SER 26 -6.636 11.879 -0.200
171 H ASN 27 H ASN 27 -7.197 8.451 -0.847
172 HA ASN 27 HA ASN 27 -5.058 8.484 0.819
173 HB2 ASN 27 1HB ASN 27 -6.878 6.316 -0.102
174 HB3 ASN 27 2HB ASN 27 -5.445 5.839 0.805
175 HD21 ASN 27 1HD2 ASN 27 -5.100 7.485 2.744
176 HD22 ASN 27 2HD2 ASN 27 -6.494 7.663 3.748
177 H LEU 28 H LEU 28 -5.164 7.168 -2.419
178 HA LEU 28 HA LEU 28 -2.681 5.775 -2.275
179 HB2 LEU 28 1HB LEU 28 -4.070 5.001 -3.954
180 HB3 LEU 28 2HB LEU 28 -4.519 6.625 -4.470
181 HG LEU 28 HG LEU 28 -2.323 6.905 -5.509
182 HD11 LEU 28 1HD1 LEU 28 -0.978 5.522 -4.065
183 HD12 LEU 28 2HD1 LEU 28 -0.832 4.948 -5.726
184 HD13 LEU 28 3HD1 LEU 28 -1.850 4.077 -4.578
185 HD21 LEU 28 3HD2 LEU 28 -2.732 5.585 -7.400
186 HD22 LEU 28 1HD2 LEU 28 -4.320 5.816 -6.668
187 HD23 LEU 28 2HD2 LEU 28 -3.462 4.291 -6.449
188 H ILE 29 H ILE 29 -3.642 8.898 -3.686
189 HA ILE 29 HA ILE 29 -1.305 9.763 -4.774
190 HB ILE 29 HB ILE 29 -3.176 11.445 -3.103
191 HG12 ILE 29 1HG1 ILE 29 -4.336 10.274 -4.909
192 HG13 ILE 29 2HG1 ILE 29 -4.230 11.995 -5.264
193 HG21 ILE 29 1HG2 ILE 29 -1.188 12.262 -5.218
194 HG22 ILE 29 2HG2 ILE 29 -2.325 13.333 -4.401
195 HG23 ILE 29 3HG2 ILE 29 -1.037 12.552 -3.486
196 HD11 ILE 29 3HD1 ILE 29 -3.805 10.635 -7.236
197 HD12 ILE 29 1HD1 ILE 29 -2.384 11.578 -6.787
198 HD13 ILE 29 2HD1 ILE 29 -2.454 9.856 -6.413
199 H LYS 30 H LYS 30 -2.234 10.204 -1.361
200 HA LYS 30 HA LYS 30 -0.014 11.494 -0.410
201 HB2 LYS 30 1HB LYS 30 -2.198 10.573 0.774
202 HB3 LYS 30 2HB LYS 30 -1.120 9.260 1.232
203 HG2 LYS 30 1HG LYS 30 -0.872 10.650 3.024
204 HG3 LYS 30 2HG LYS 30 0.440 11.226 1.993
205 HD2 LYS 30 1HD LYS 30 -1.204 12.935 1.095
206 HD3 LYS 30 2HD LYS 30 -2.271 12.462 2.419
207 HE2 LYS 30 1HE LYS 30 0.569 13.321 2.888
208 HE3 LYS 30 2HE LYS 30 -0.752 14.484 2.788
209 HZ1 LYS 30 3HZ LYS 30 -1.854 13.269 4.603
210 HZ2 LYS 30 1HZ LYS 30 -0.359 13.909 5.068
211 HZ3 LYS 30 2HZ LYS 30 -0.504 12.258 4.736
212 H HIS 31 H HIS 31 -0.445 7.951 -0.310
213 HA HIS 31 HA HIS 31 2.103 7.275 0.516
214 HB2 HIS 31 1HB HIS 31 0.702 5.453 0.524
215 HB3 HIS 31 2HB HIS 31 -0.027 5.871 -1.023
216 HD1 HIS 31 HD1 HIS 31 2.645 3.838 0.504
217 HD2 HIS 31 HD2 HIS 31 1.499 5.047 -3.302
218 HE1 HIS 31 HE1 HIS 31 3.907 2.350 -1.083
219 H GLN 32 H GLN 32 0.912 7.603 -2.820
220 HA GLN 32 HA GLN 32 3.216 6.913 -4.181
221 HB2 GLN 32 1HB GLN 32 0.902 8.693 -4.793
222 HB3 GLN 32 2HB GLN 32 2.294 8.739 -5.866
223 HG2 GLN 32 1HG GLN 32 1.997 6.125 -5.814
224 HG3 GLN 32 2HG GLN 32 0.344 6.554 -5.376
225 HE21 GLN 32 1HE2 GLN 32 1.281 5.250 -7.772
226 HE22 GLN 32 2HE2 GLN 32 0.817 6.254 -9.098
227 H LYS 33 H LYS 33 2.693 9.582 -2.151
228 HA LYS 33 HA LYS 33 4.467 11.450 -3.341
229 HB2 LYS 33 1HB LYS 33 4.071 12.779 -1.502
230 HB3 LYS 33 2HB LYS 33 2.648 11.746 -1.467
231 HG2 LYS 33 1HG LYS 33 4.032 10.261 0.118
232 HG3 LYS 33 2HG LYS 33 5.065 11.681 0.294
233 HD2 LYS 33 1HD LYS 33 3.305 12.971 1.196
234 HD3 LYS 33 2HD LYS 33 2.086 11.797 0.696
235 HE2 LYS 33 1HE LYS 33 2.253 11.271 2.913
236 HE3 LYS 33 2HE LYS 33 3.485 10.196 2.255
237 HZ1 LYS 33 3HZ LYS 33 4.911 12.406 2.702
238 HZ2 LYS 33 1HZ LYS 33 4.753 11.148 3.823
239 HZ3 LYS 33 2HZ LYS 33 3.778 12.524 3.953
240 H ILE 34 H ILE 34 5.034 8.506 -1.860
241 HA ILE 34 HA ILE 34 7.533 9.161 -0.588
242 HB ILE 34 HB ILE 34 7.755 6.847 -0.099
243 HG12 ILE 34 1HG1 ILE 34 5.409 6.144 -1.841
244 HG13 ILE 34 2HG1 ILE 34 7.033 6.217 -2.516
245 HG21 ILE 34 1HG2 ILE 34 6.204 7.231 1.450
246 HG22 ILE 34 2HG2 ILE 34 5.248 8.216 0.344
247 HG23 ILE 34 3HG2 ILE 34 5.046 6.464 0.364
248 HD11 ILE 34 3HD1 ILE 34 6.689 4.627 -0.053
249 HD12 ILE 34 1HD1 ILE 34 5.966 3.989 -1.529
250 HD13 ILE 34 2HD1 ILE 34 7.696 4.330 -1.470
251 H HIS 35 H HIS 35 6.489 8.237 -3.746
252 HA HIS 35 HA HIS 35 9.135 7.402 -4.599
253 HB2 HIS 35 1HB HIS 35 6.634 7.806 -6.252
254 HB3 HIS 35 2HB HIS 35 8.103 6.976 -6.759
255 HD1 HIS 35 HD1 HIS 35 8.667 4.761 -5.222
256 HD2 HIS 35 HD2 HIS 35 4.751 6.149 -5.234
257 HE1 HIS 35 HE1 HIS 35 7.270 2.840 -4.395
258 H THR 36 H THR 36 8.288 10.236 -3.730
259 HA THR 36 HA THR 36 8.654 11.848 -6.074
260 HB THR 36 HB THR 36 8.941 13.716 -4.353
261 HG1 THR 36 HG1 THR 36 9.347 11.823 -2.707
262 HG21 THR 36 3HG2 THR 36 6.573 12.123 -4.997
263 HG22 THR 36 1HG2 THR 36 6.810 13.869 -5.048
264 HG23 THR 36 2HG2 THR 36 6.406 13.077 -3.524
265 H LYS 37 H LYS 37 10.717 10.451 -3.656
266 HA LYS 37 HA LYS 37 12.988 12.114 -4.361
267 HB2 LYS 37 1HB LYS 37 14.203 10.806 -2.689
268 HB3 LYS 37 2HB LYS 37 12.687 11.411 -2.033
269 HG2 LYS 37 1HG LYS 37 12.593 9.279 -1.267
270 HG3 LYS 37 2HG LYS 37 11.818 9.044 -2.835
271 HD2 LYS 37 1HD LYS 37 13.396 7.312 -2.674
272 HD3 LYS 37 2HD LYS 37 14.152 8.516 -3.720
273 HE2 LYS 37 1HE LYS 37 15.888 8.065 -2.299
274 HE3 LYS 37 2HE LYS 37 15.123 9.401 -1.441
275 HZ1 LYS 37 3HZ LYS 37 14.295 6.646 -0.841
276 HZ2 LYS 37 1HZ LYS 37 14.280 8.013 0.157
277 HZ3 LYS 37 2HZ LYS 37 15.741 7.232 -0.187
278 H GLN 38 H GLN 38 15.121 10.871 -4.745
279 HA GLN 38 HA GLN 38 14.880 8.417 -6.237
280 HB2 GLN 38 1HB GLN 38 15.512 11.027 -7.607
281 HB3 GLN 38 2HB GLN 38 15.981 9.471 -8.280
282 HG2 GLN 38 1HG GLN 38 13.575 8.808 -8.213
283 HG3 GLN 38 2HG GLN 38 13.194 10.466 -7.753
284 HE21 GLN 38 1HE2 GLN 38 12.536 8.834 -10.154
285 HE22 GLN 38 2HE2 GLN 38 13.049 9.791 -11.498
286 H LYS 39 H LYS 39 17.081 7.821 -7.207
287 HA LYS 39 HA LYS 39 19.035 8.082 -5.122
288 HB2 LYS 39 1HB LYS 39 18.775 5.961 -6.280
289 HB3 LYS 39 2HB LYS 39 19.159 6.721 -7.819
290 HG2 LYS 39 1HG LYS 39 21.181 5.814 -7.352
291 HG3 LYS 39 2HG LYS 39 21.380 7.362 -6.527
292 HD2 LYS 39 1HD LYS 39 20.463 6.167 -4.457
293 HD3 LYS 39 2HD LYS 39 20.761 4.670 -5.343
294 HE2 LYS 39 1HE LYS 39 22.857 6.777 -4.842
295 HE3 LYS 39 2HE LYS 39 22.610 5.372 -3.807
296 HZ1 LYS 39 3HZ LYS 39 23.514 5.427 -6.624
297 HZ2 LYS 39 1HZ LYS 39 22.938 4.013 -5.894
298 HZ3 LYS 39 2HZ LYS 39 24.313 4.782 -5.280
299 HA PRO 40 HA PRO 40 21.212 11.571 -6.717
300 HB2 PRO 40 1HB PRO 40 23.557 11.208 -5.397
301 HB3 PRO 40 2HB PRO 40 22.088 11.791 -4.605
302 HG2 PRO 40 1HG PRO 40 23.246 9.030 -4.655
303 HG3 PRO 40 2HG PRO 40 22.543 9.924 -3.294
304 HD2 PRO 40 1HD PRO 40 21.171 8.028 -4.656
305 HD3 PRO 40 2HD PRO 40 20.381 9.444 -3.932
306 H SER 41 H SER 41 23.194 12.115 -7.900
307 HA SER 41 HA SER 41 23.701 10.309 -10.002
308 HB2 SER 41 1HB SER 41 25.379 12.698 -9.205
309 HB3 SER 41 2HB SER 41 25.315 11.934 -10.793
310 HG SER 41 HG SER 41 23.370 12.795 -11.153
311 H GLY 42 H GLY 42 26.074 11.582 -7.655
312 HA2 GLY 42 1HA GLY 42 27.135 8.934 -7.187
313 HA3 GLY 42 2HA GLY 42 28.194 9.973 -8.128
314 HA PRO 43 HA PRO 43 28.267 10.815 -3.380
315 HB2 PRO 43 1HB PRO 43 30.116 9.015 -2.536
316 HB3 PRO 43 2HB PRO 43 28.380 8.684 -2.530
317 HG2 PRO 43 1HG PRO 43 30.458 7.859 -4.520
318 HG3 PRO 43 2HG PRO 43 29.126 6.910 -3.835
319 HD2 PRO 43 1HD PRO 43 29.000 8.031 -6.296
320 HD3 PRO 43 2HD PRO 43 27.569 7.827 -5.266
321 H SER 44 H SER 44 30.321 10.575 -6.037
322 HA SER 44 HA SER 44 32.851 11.133 -5.255
323 HB2 SER 44 1HB SER 44 31.248 12.356 -7.500
324 HB3 SER 44 2HB SER 44 32.968 12.680 -7.286
325 HG SER 44 HG SER 44 32.914 10.155 -7.162
326 H SER 45 H SER 45 34.065 13.145 -5.041
327 HA SER 45 HA SER 45 32.715 15.580 -4.389
328 HB2 SER 45 1HB SER 45 33.548 15.625 -1.998
329 HB3 SER 45 2HB SER 45 32.215 14.512 -2.306
330 HG SER 45 HG SER 45 33.521 13.139 -1.376
331 H GLY 46 H GLY 46 34.058 17.271 -4.657
332 HA2 GLY 46 1HA GLY 46 36.960 16.774 -4.540
333 HA3 GLY 46 2HA GLY 46 36.255 17.530 -5.962
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -4.633 -30.296 0.668
2 HA2 GLY 1 1HA GLY 1 -1.830 -30.331 1.581
3 HA3 GLY 1 2HA GLY 1 -2.229 -29.760 -0.032
4 H SER 2 H SER 2 -1.724 -27.644 0.086
5 HA SER 2 HA SER 2 -3.379 -25.985 1.811
6 HB2 SER 2 1HB SER 2 -1.378 -24.637 2.522
7 HB3 SER 2 2HB SER 2 -1.439 -26.259 3.211
8 HG SER 2 HG SER 2 0.228 -26.860 2.002
9 H SER 3 H SER 3 -4.370 -24.802 0.306
10 HA SER 3 HA SER 3 -2.737 -23.628 -1.847
11 HB2 SER 3 1HB SER 3 -4.684 -23.587 -3.235
12 HB3 SER 3 2HB SER 3 -4.620 -25.191 -2.506
13 HG SER 3 HG SER 3 -6.706 -23.950 -2.487
14 H GLY 4 H GLY 4 -3.684 -21.501 -2.679
15 HA2 GLY 4 1HA GLY 4 -5.228 -19.861 -0.965
16 HA3 GLY 4 2HA GLY 4 -3.519 -19.565 -0.681
17 H SER 5 H SER 5 -3.161 -17.621 -1.567
18 HA SER 5 HA SER 5 -3.043 -17.336 -4.373
19 HB2 SER 5 1HB SER 5 -5.541 -17.126 -3.965
20 HB3 SER 5 2HB SER 5 -5.188 -15.632 -3.096
21 HG SER 5 HG SER 5 -4.966 -14.661 -4.939
22 H SER 6 H SER 6 -1.635 -15.759 -4.887
23 HA SER 6 HA SER 6 -0.386 -14.304 -2.741
24 HB2 SER 6 1HB SER 6 1.217 -13.579 -4.417
25 HB3 SER 6 2HB SER 6 0.915 -15.305 -4.614
26 HG SER 6 HG SER 6 -0.635 -14.671 -6.268
27 H GLY 7 H GLY 7 -0.242 -12.059 -2.516
28 HA2 GLY 7 1HA GLY 7 -0.842 -9.840 -2.813
29 HA3 GLY 7 2HA GLY 7 -1.695 -10.301 -4.278
30 H THR 8 H THR 8 -3.790 -11.444 -3.961
31 HA THR 8 HA THR 8 -5.941 -11.357 -3.211
32 HB THR 8 HB THR 8 -5.002 -11.220 -0.378
33 HG1 THR 8 HG1 THR 8 -4.262 -13.325 -0.474
34 HG21 THR 8 3HG2 THR 8 -7.330 -11.520 -0.620
35 HG22 THR 8 1HG2 THR 8 -6.695 -13.122 -0.247
36 HG23 THR 8 2HG2 THR 8 -7.125 -12.708 -1.907
37 H GLY 9 H GLY 9 -5.236 -8.924 -4.008
38 HA2 GLY 9 1HA GLY 9 -5.493 -6.930 -1.957
39 HA3 GLY 9 2HA GLY 9 -5.489 -6.648 -3.692
40 H GLU 10 H GLU 10 -7.259 -5.934 -1.210
41 HA GLU 10 HA GLU 10 -9.834 -6.627 -2.457
42 HB2 GLU 10 1HB GLU 10 -9.082 -6.040 0.397
43 HB3 GLU 10 2HB GLU 10 -10.749 -5.952 -0.152
44 HG2 GLU 10 1HG GLU 10 -10.346 -8.346 -1.027
45 HG3 GLU 10 2HG GLU 10 -8.961 -8.334 0.064
46 H LYS 11 H LYS 11 -8.321 -4.541 -3.524
47 HA LYS 11 HA LYS 11 -10.145 -2.314 -3.066
48 HB2 LYS 11 1HB LYS 11 -7.199 -2.249 -2.557
49 HB3 LYS 11 2HB LYS 11 -7.979 -0.814 -3.208
50 HG2 LYS 11 1HG LYS 11 -9.132 -0.396 -1.290
51 HG3 LYS 11 2HG LYS 11 -9.205 -2.099 -0.831
52 HD2 LYS 11 1HD LYS 11 -6.553 -0.739 -0.887
53 HD3 LYS 11 2HD LYS 11 -7.650 -0.405 0.455
54 HE2 LYS 11 1HE LYS 11 -7.105 -3.230 -0.354
55 HE3 LYS 11 2HE LYS 11 -5.924 -2.357 0.621
56 HZ1 LYS 11 3HZ LYS 11 -8.576 -2.054 1.630
57 HZ2 LYS 11 1HZ LYS 11 -7.179 -2.586 2.422
58 HZ3 LYS 11 2HZ LYS 11 -8.126 -3.682 1.549
59 HA PRO 12 HA PRO 12 -9.936 -2.077 -7.456
60 HB2 PRO 12 1HB PRO 12 -10.834 0.462 -7.796
61 HB3 PRO 12 2HB PRO 12 -11.891 -0.878 -7.335
62 HG2 PRO 12 1HG PRO 12 -10.645 1.231 -5.614
63 HG3 PRO 12 2HG PRO 12 -12.295 0.583 -5.572
64 HD2 PRO 12 1HD PRO 12 -10.374 -0.208 -3.835
65 HD3 PRO 12 2HD PRO 12 -11.663 -1.294 -4.394
66 H TYR 13 H TYR 13 -8.432 0.449 -5.508
67 HA TYR 13 HA TYR 13 -6.766 1.309 -7.734
68 HB2 TYR 13 1HB TYR 13 -6.778 2.259 -4.862
69 HB3 TYR 13 2HB TYR 13 -5.947 3.027 -6.210
70 HD1 TYR 13 HD1 TYR 13 -9.241 2.334 -4.714
71 HD2 TYR 13 HD2 TYR 13 -7.129 4.421 -7.761
72 HE1 TYR 13 HE1 TYR 13 -11.244 3.687 -5.167
73 HE2 TYR 13 HE2 TYR 13 -9.126 5.781 -8.222
74 HH TYR 13 HH TYR 13 -12.210 5.037 -6.857
75 H ILE 14 H ILE 14 -4.648 0.847 -7.988
76 HA ILE 14 HA ILE 14 -3.221 -0.539 -5.841
77 HB ILE 14 HB ILE 14 -3.467 -1.595 -8.658
78 HG12 ILE 14 1HG1 ILE 14 -5.360 -2.167 -7.216
79 HG13 ILE 14 2HG1 ILE 14 -4.386 -3.594 -7.552
80 HG21 ILE 14 1HG2 ILE 14 -1.634 -2.364 -6.404
81 HG22 ILE 14 2HG2 ILE 14 -2.011 -3.456 -7.736
82 HG23 ILE 14 3HG2 ILE 14 -1.211 -1.918 -8.057
83 HD11 ILE 14 3HD1 ILE 14 -4.273 -3.968 -5.381
84 HD12 ILE 14 1HD1 ILE 14 -3.360 -2.471 -5.194
85 HD13 ILE 14 2HD1 ILE 14 -5.117 -2.458 -5.042
86 H CYS 15 H CYS 15 -1.269 0.306 -5.565
87 HA CYS 15 HA CYS 15 -0.240 2.242 -7.424
88 HB2 CYS 15 1HB CYS 15 -0.033 2.539 -4.978
89 HB3 CYS 15 2HB CYS 15 1.011 1.123 -4.907
90 H ALA 16 H ALA 16 -0.043 0.702 -9.227
91 HA ALA 16 HA ALA 16 1.422 -1.533 -9.485
92 HB1 ALA 16 3HB ALA 16 0.415 -0.636 -11.421
93 HB2 ALA 16 1HB ALA 16 1.356 0.852 -11.315
94 HB3 ALA 16 2HB ALA 16 2.148 -0.664 -11.749
95 H GLU 17 H GLU 17 2.787 1.739 -9.314
96 HA GLU 17 HA GLU 17 5.393 1.440 -9.823
97 HB2 GLU 17 1HB GLU 17 4.187 2.837 -7.434
98 HB3 GLU 17 2HB GLU 17 5.873 3.005 -7.904
99 HG2 GLU 17 1HG GLU 17 3.758 3.552 -9.922
100 HG3 GLU 17 2HG GLU 17 4.073 4.746 -8.664
101 H CYS 18 H CYS 18 4.064 0.732 -6.587
102 HA CYS 18 HA CYS 18 6.379 -1.023 -6.116
103 HB2 CYS 18 1HB CYS 18 5.947 -0.729 -3.731
104 HB3 CYS 18 2HB CYS 18 6.123 0.836 -4.517
105 H GLY 19 H GLY 19 2.862 -0.799 -5.654
106 HA2 GLY 19 1HA GLY 19 1.613 -2.812 -6.415
107 HA3 GLY 19 2HA GLY 19 2.803 -3.752 -5.528
108 H LYS 20 H LYS 20 1.236 -0.760 -4.490
109 HA LYS 20 HA LYS 20 0.245 -2.187 -2.130
110 HB2 LYS 20 1HB LYS 20 1.660 0.049 -2.158
111 HB3 LYS 20 2HB LYS 20 0.081 0.783 -2.404
112 HG2 LYS 20 1HG LYS 20 -0.734 -0.170 -0.347
113 HG3 LYS 20 2HG LYS 20 0.780 -1.050 -0.119
114 HD2 LYS 20 1HD LYS 20 1.983 0.909 0.325
115 HD3 LYS 20 2HD LYS 20 0.732 1.941 -0.372
116 HE2 LYS 20 1HE LYS 20 -0.691 1.641 1.476
117 HE3 LYS 20 2HE LYS 20 0.229 0.258 2.065
118 HZ1 LYS 20 3HZ LYS 20 1.602 2.834 1.867
119 HZ2 LYS 20 1HZ LYS 20 1.812 1.582 2.986
120 HZ3 LYS 20 2HZ LYS 20 0.491 2.629 3.126
121 H ALA 21 H ALA 21 -1.894 -1.433 -1.262
122 HA ALA 21 HA ALA 21 -3.787 -0.929 -3.465
123 HB1 ALA 21 3HB ALA 21 -5.269 -2.273 -1.593
124 HB2 ALA 21 1HB ALA 21 -4.558 -2.984 -3.042
125 HB3 ALA 21 2HB ALA 21 -3.707 -3.085 -1.500
126 H PHE 22 H PHE 22 -5.370 0.557 -3.132
127 HA PHE 22 HA PHE 22 -5.607 1.742 -0.454
128 HB2 PHE 22 1HB PHE 22 -5.261 3.236 -3.058
129 HB3 PHE 22 2HB PHE 22 -5.772 3.994 -1.554
130 HD1 PHE 22 HD1 PHE 22 -4.220 4.294 0.280
131 HD2 PHE 22 HD2 PHE 22 -2.989 2.498 -3.377
132 HE1 PHE 22 HE1 PHE 22 -1.865 4.608 0.923
133 HE2 PHE 22 HE2 PHE 22 -0.633 2.808 -2.740
134 HZ PHE 22 HZ PHE 22 -0.068 3.863 -0.588
135 H THR 23 H THR 23 -7.617 2.745 -0.002
136 HA THR 23 HA THR 23 -9.814 1.618 -1.561
137 HB THR 23 HB THR 23 -9.949 3.063 1.091
138 HG1 THR 23 HG1 THR 23 -9.778 1.091 2.037
139 HG21 THR 23 3HG2 THR 23 -11.923 1.298 -0.361
140 HG22 THR 23 1HG2 THR 23 -12.075 3.032 -0.079
141 HG23 THR 23 2HG2 THR 23 -12.128 1.909 1.280
142 H ILE 24 H ILE 24 -8.573 4.731 -0.454
143 HA ILE 24 HA ILE 24 -10.587 6.080 -2.125
144 HB ILE 24 HB ILE 24 -8.881 7.462 -0.072
145 HG12 ILE 24 1HG1 ILE 24 -11.638 6.344 0.450
146 HG13 ILE 24 2HG1 ILE 24 -10.161 5.513 0.926
147 HG21 ILE 24 1HG2 ILE 24 -11.106 8.848 -0.064
148 HG22 ILE 24 2HG2 ILE 24 -9.905 9.084 -1.332
149 HG23 ILE 24 3HG2 ILE 24 -11.332 8.097 -1.643
150 HD11 ILE 24 3HD1 ILE 24 -9.935 8.135 1.893
151 HD12 ILE 24 1HD1 ILE 24 -11.573 7.600 2.264
152 HD13 ILE 24 2HD1 ILE 24 -10.191 6.654 2.815
153 H ARG 25 H ARG 25 -9.966 7.183 -3.876
154 HA ARG 25 HA ARG 25 -7.527 6.913 -5.089
155 HB2 ARG 25 1HB ARG 25 -9.158 7.723 -6.507
156 HB3 ARG 25 2HB ARG 25 -9.723 8.917 -5.347
157 HG2 ARG 25 1HG ARG 25 -7.698 10.247 -5.754
158 HG3 ARG 25 2HG ARG 25 -7.181 9.061 -6.954
159 HD2 ARG 25 1HD ARG 25 -8.191 10.638 -8.289
160 HD3 ARG 25 2HD ARG 25 -9.529 9.526 -7.998
161 HE ARG 25 HE ARG 25 -9.340 11.721 -6.129
162 HH11 ARG 25 1HH1 ARG 25 -10.683 10.564 -9.125
163 HH12 ARG 25 2HH1 ARG 25 -12.004 11.685 -9.117
164 HH21 ARG 25 1HH2 ARG 25 -11.075 13.202 -6.107
165 HH22 ARG 25 2HH2 ARG 25 -12.226 13.185 -7.400
166 H SER 26 H SER 26 -8.547 9.433 -2.840
167 HA SER 26 HA SER 26 -6.289 11.095 -3.105
168 HB2 SER 26 1HB SER 26 -8.410 10.741 -1.019
169 HB3 SER 26 2HB SER 26 -7.003 11.741 -0.656
170 HG SER 26 HG SER 26 -8.603 13.032 -1.547
171 H ASN 27 H ASN 27 -7.011 8.438 -0.870
172 HA ASN 27 HA ASN 27 -4.747 8.616 0.740
173 HB2 ASN 27 1HB ASN 27 -6.864 7.078 0.895
174 HB3 ASN 27 2HB ASN 27 -5.872 5.942 -0.014
175 HD21 ASN 27 1HD2 ASN 27 -6.919 6.299 2.885
176 HD22 ASN 27 2HD2 ASN 27 -5.540 5.881 3.839
177 H LEU 28 H LEU 28 -5.152 7.302 -2.467
178 HA LEU 28 HA LEU 28 -2.599 5.966 -2.491
179 HB2 LEU 28 1HB LEU 28 -4.202 4.961 -3.857
180 HB3 LEU 28 2HB LEU 28 -4.724 6.502 -4.533
181 HG LEU 28 HG LEU 28 -2.651 6.642 -5.823
182 HD11 LEU 28 1HD1 LEU 28 -0.890 5.255 -5.600
183 HD12 LEU 28 2HD1 LEU 28 -1.900 3.847 -5.276
184 HD13 LEU 28 3HD1 LEU 28 -1.559 5.002 -3.988
185 HD21 LEU 28 3HD2 LEU 28 -3.274 5.144 -7.482
186 HD22 LEU 28 1HD2 LEU 28 -4.764 5.353 -6.563
187 HD23 LEU 28 2HD2 LEU 28 -3.776 3.912 -6.323
188 H ILE 29 H ILE 29 -3.846 9.096 -3.325
189 HA ILE 29 HA ILE 29 -1.721 9.910 -5.027
190 HB ILE 29 HB ILE 29 -3.750 11.478 -3.445
191 HG12 ILE 29 1HG1 ILE 29 -3.455 11.261 -6.435
192 HG13 ILE 29 2HG1 ILE 29 -4.366 10.075 -5.508
193 HG21 ILE 29 1HG2 ILE 29 -2.417 13.253 -3.625
194 HG22 ILE 29 2HG2 ILE 29 -1.292 12.393 -4.675
195 HG23 ILE 29 3HG2 ILE 29 -2.712 13.181 -5.362
196 HD11 ILE 29 3HD1 ILE 29 -5.504 12.311 -4.590
197 HD12 ILE 29 1HD1 ILE 29 -5.026 12.862 -6.195
198 HD13 ILE 29 2HD1 ILE 29 -6.071 11.451 -6.021
199 H LYS 30 H LYS 30 -2.388 10.409 -1.574
200 HA LYS 30 HA LYS 30 -0.164 12.000 -0.988
201 HB2 LYS 30 1HB LYS 30 -0.766 11.773 1.211
202 HB3 LYS 30 2HB LYS 30 -2.264 11.256 0.447
203 HG2 LYS 30 1HG LYS 30 -1.698 8.945 0.776
204 HG3 LYS 30 2HG LYS 30 -0.102 9.384 1.388
205 HD2 LYS 30 1HD LYS 30 -0.998 10.309 3.360
206 HD3 LYS 30 2HD LYS 30 -2.633 10.346 2.695
207 HE2 LYS 30 1HE LYS 30 -2.598 7.859 2.642
208 HE3 LYS 30 2HE LYS 30 -1.035 7.904 3.457
209 HZ1 LYS 30 3HZ LYS 30 -2.193 9.211 5.246
210 HZ2 LYS 30 1HZ LYS 30 -2.645 7.585 5.122
211 HZ3 LYS 30 2HZ LYS 30 -3.657 8.793 4.508
212 H HIS 31 H HIS 31 -0.542 8.488 -1.057
213 HA HIS 31 HA HIS 31 1.857 7.710 0.082
214 HB2 HIS 31 1HB HIS 31 0.347 5.980 -0.384
215 HB3 HIS 31 2HB HIS 31 0.135 6.488 -2.057
216 HD1 HIS 31 HD1 HIS 31 2.753 4.879 0.164
217 HD2 HIS 31 HD2 HIS 31 1.715 5.175 -3.848
218 HE1 HIS 31 HE1 HIS 31 4.287 3.296 -1.046
219 H GLN 32 H GLN 32 1.191 8.474 -3.326
220 HA GLN 32 HA GLN 32 3.479 7.903 -4.596
221 HB2 GLN 32 1HB GLN 32 1.876 10.451 -4.774
222 HB3 GLN 32 2HB GLN 32 3.185 10.072 -5.885
223 HG2 GLN 32 1HG GLN 32 2.001 8.034 -6.563
224 HG3 GLN 32 2HG GLN 32 0.677 8.458 -5.479
225 HE21 GLN 32 1HE2 GLN 32 -0.244 8.129 -7.808
226 HE22 GLN 32 2HE2 GLN 32 -0.472 9.590 -8.700
227 H LYS 33 H LYS 33 3.116 10.305 -2.108
228 HA LYS 33 HA LYS 33 5.404 11.840 -2.511
229 HB2 LYS 33 1HB LYS 33 3.857 11.088 -0.046
230 HB3 LYS 33 2HB LYS 33 5.305 12.080 0.066
231 HG2 LYS 33 1HG LYS 33 3.054 12.821 -1.766
232 HG3 LYS 33 2HG LYS 33 3.031 13.252 -0.055
233 HD2 LYS 33 1HD LYS 33 5.374 13.907 -1.818
234 HD3 LYS 33 2HD LYS 33 3.970 14.972 -1.706
235 HE2 LYS 33 1HE LYS 33 4.306 14.961 0.790
236 HE3 LYS 33 2HE LYS 33 5.839 14.139 0.504
237 HZ1 LYS 33 3HZ LYS 33 6.775 16.090 0.109
238 HZ2 LYS 33 1HZ LYS 33 5.307 16.879 0.402
239 HZ3 LYS 33 2HZ LYS 33 5.704 16.386 -1.166
240 H ILE 34 H ILE 34 5.007 8.906 -0.533
241 HA ILE 34 HA ILE 34 7.636 8.704 0.373
242 HB ILE 34 HB ILE 34 7.182 6.448 0.939
243 HG12 ILE 34 1HG1 ILE 34 4.851 5.558 -0.062
244 HG13 ILE 34 2HG1 ILE 34 5.355 6.586 -1.399
245 HG21 ILE 34 1HG2 ILE 34 4.469 7.734 1.026
246 HG22 ILE 34 2HG2 ILE 34 5.202 6.639 2.196
247 HG23 ILE 34 3HG2 ILE 34 5.809 8.286 2.030
248 HD11 ILE 34 3HD1 ILE 34 6.101 4.369 -1.830
249 HD12 ILE 34 1HD1 ILE 34 7.513 5.352 -1.440
250 HD13 ILE 34 2HD1 ILE 34 6.844 4.250 -0.235
251 H HIS 35 H HIS 35 6.342 8.187 -2.755
252 HA HIS 35 HA HIS 35 8.512 6.485 -3.647
253 HB2 HIS 35 1HB HIS 35 5.999 7.544 -4.835
254 HB3 HIS 35 2HB HIS 35 7.308 7.142 -5.942
255 HD1 HIS 35 HD1 HIS 35 8.208 4.591 -5.725
256 HD2 HIS 35 HD2 HIS 35 4.500 5.417 -4.042
257 HE1 HIS 35 HE1 HIS 35 7.097 2.357 -5.417
258 H THR 36 H THR 36 7.953 9.798 -3.262
259 HA THR 36 HA THR 36 9.979 10.504 -5.273
260 HB THR 36 HB THR 36 9.220 12.815 -5.043
261 HG1 THR 36 HG1 THR 36 8.505 12.420 -2.760
262 HG21 THR 36 3HG2 THR 36 6.590 12.038 -5.467
263 HG22 THR 36 1HG2 THR 36 7.536 10.623 -5.928
264 HG23 THR 36 2HG2 THR 36 7.850 12.182 -6.692
265 H LYS 37 H LYS 37 9.715 9.830 -2.043
266 HA LYS 37 HA LYS 37 11.506 11.849 -1.029
267 HB2 LYS 37 1HB LYS 37 9.773 10.849 0.404
268 HB3 LYS 37 2HB LYS 37 10.539 9.275 0.232
269 HG2 LYS 37 1HG LYS 37 12.377 9.894 1.527
270 HG3 LYS 37 2HG LYS 37 12.032 11.617 1.355
271 HD2 LYS 37 1HD LYS 37 9.794 10.954 2.570
272 HD3 LYS 37 2HD LYS 37 10.759 9.586 3.130
273 HE2 LYS 37 1HE LYS 37 11.189 11.083 4.803
274 HE3 LYS 37 2HE LYS 37 12.497 11.487 3.693
275 HZ1 LYS 37 3HZ LYS 37 10.265 13.076 4.534
276 HZ2 LYS 37 1HZ LYS 37 10.436 13.044 2.851
277 HZ3 LYS 37 2HZ LYS 37 11.723 13.555 3.823
278 H GLN 38 H GLN 38 11.768 8.688 -2.414
279 HA GLN 38 HA GLN 38 14.104 7.680 -1.429
280 HB2 GLN 38 1HB GLN 38 14.244 6.371 -3.334
281 HB3 GLN 38 2HB GLN 38 12.546 6.830 -3.338
282 HG2 GLN 38 1HG GLN 38 12.974 8.544 -4.982
283 HG3 GLN 38 2HG GLN 38 14.702 8.200 -4.928
284 HE21 GLN 38 1HE2 GLN 38 15.300 7.209 -6.708
285 HE22 GLN 38 2HE2 GLN 38 14.438 5.950 -7.516
286 H LYS 39 H LYS 39 13.688 10.520 -3.356
287 HA LYS 39 HA LYS 39 16.076 10.916 -4.600
288 HB2 LYS 39 1HB LYS 39 14.456 12.928 -3.032
289 HB3 LYS 39 2HB LYS 39 15.769 13.358 -4.121
290 HG2 LYS 39 1HG LYS 39 13.459 11.721 -5.087
291 HG3 LYS 39 2HG LYS 39 13.345 13.479 -4.976
292 HD2 LYS 39 1HD LYS 39 15.678 12.228 -6.364
293 HD3 LYS 39 2HD LYS 39 14.128 12.355 -7.199
294 HE2 LYS 39 1HE LYS 39 15.241 14.308 -7.808
295 HE3 LYS 39 2HE LYS 39 14.187 14.826 -6.494
296 HZ1 LYS 39 3HZ LYS 39 16.840 13.939 -5.715
297 HZ2 LYS 39 1HZ LYS 39 15.923 15.243 -5.148
298 HZ3 LYS 39 2HZ LYS 39 16.782 15.381 -6.598
299 HA PRO 40 HA PRO 40 19.231 10.914 -1.530
300 HB2 PRO 40 1HB PRO 40 21.117 12.352 -2.850
301 HB3 PRO 40 2HB PRO 40 20.714 10.683 -3.269
302 HG2 PRO 40 1HG PRO 40 19.806 13.230 -4.553
303 HG3 PRO 40 2HG PRO 40 20.333 11.719 -5.316
304 HD2 PRO 40 1HD PRO 40 17.721 12.382 -5.046
305 HD3 PRO 40 2HD PRO 40 18.289 10.701 -4.999
306 H SER 41 H SER 41 21.027 12.759 -0.866
307 HA SER 41 HA SER 41 21.362 14.622 0.396
308 HB2 SER 41 1HB SER 41 19.245 15.791 -1.426
309 HB3 SER 41 2HB SER 41 20.314 16.720 -0.375
310 HG SER 41 HG SER 41 21.998 15.383 -1.658
311 H GLY 42 H GLY 42 19.667 12.719 1.496
312 HA2 GLY 42 1HA GLY 42 17.897 12.412 2.965
313 HA3 GLY 42 2HA GLY 42 18.631 13.821 3.716
314 HA PRO 43 HA PRO 43 14.265 14.942 2.782
315 HB2 PRO 43 1HB PRO 43 13.899 16.325 5.090
316 HB3 PRO 43 2HB PRO 43 13.677 14.575 4.972
317 HG2 PRO 43 1HG PRO 43 16.026 16.122 5.998
318 HG3 PRO 43 2HG PRO 43 15.262 14.670 6.671
319 HD2 PRO 43 1HD PRO 43 17.543 14.575 5.214
320 HD3 PRO 43 2HD PRO 43 16.344 13.266 5.198
321 H SER 44 H SER 44 15.199 16.283 1.099
322 HA SER 44 HA SER 44 16.303 18.851 1.774
323 HB2 SER 44 1HB SER 44 16.411 19.229 -0.618
324 HB3 SER 44 2HB SER 44 16.955 17.586 -0.278
325 HG SER 44 HG SER 44 14.487 17.220 -0.658
326 H SER 45 H SER 45 13.929 18.704 3.059
327 HA SER 45 HA SER 45 11.964 20.147 1.442
328 HB2 SER 45 1HB SER 45 10.382 19.683 3.191
329 HB3 SER 45 2HB SER 45 11.272 18.194 2.875
330 HG SER 45 HG SER 45 12.305 18.387 4.760
331 H GLY 46 H GLY 46 10.730 21.891 2.785
332 HA2 GLY 46 1HA GLY 46 12.565 23.997 3.275
333 HA3 GLY 46 2HA GLY 46 10.833 24.049 3.568
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -11.030 -27.496 5.808
2 HA2 GLY 1 1HA GLY 1 -10.394 -25.939 7.709
3 HA3 GLY 1 2HA GLY 1 -9.682 -27.374 8.431
4 H SER 2 H SER 2 -9.224 -24.768 6.289
5 HA SER 2 HA SER 2 -6.515 -25.736 5.706
6 HB2 SER 2 1HB SER 2 -8.587 -24.829 3.748
7 HB3 SER 2 2HB SER 2 -6.895 -24.450 3.428
8 HG SER 2 HG SER 2 -8.099 -26.687 2.898
9 H SER 3 H SER 3 -5.308 -24.371 6.864
10 HA SER 3 HA SER 3 -5.957 -21.502 6.779
11 HB2 SER 3 1HB SER 3 -5.757 -22.832 9.011
12 HB3 SER 3 2HB SER 3 -4.020 -22.722 8.727
13 HG SER 3 HG SER 3 -4.828 -20.978 9.992
14 H GLY 4 H GLY 4 -4.956 -21.131 4.759
15 HA2 GLY 4 1HA GLY 4 -2.249 -20.350 4.904
16 HA3 GLY 4 2HA GLY 4 -2.356 -21.887 4.058
17 H SER 5 H SER 5 -4.662 -19.205 3.984
18 HA SER 5 HA SER 5 -4.189 -19.009 1.084
19 HB2 SER 5 1HB SER 5 -6.662 -18.620 2.755
20 HB3 SER 5 2HB SER 5 -6.539 -17.928 1.138
21 HG SER 5 HG SER 5 -6.130 -20.059 0.366
22 H SER 6 H SER 6 -2.477 -17.513 1.307
23 HA SER 6 HA SER 6 -3.279 -14.852 2.284
24 HB2 SER 6 1HB SER 6 -0.563 -16.158 2.091
25 HB3 SER 6 2HB SER 6 -0.772 -14.430 2.375
26 HG SER 6 HG SER 6 -2.229 -15.251 4.168
27 H GLY 7 H GLY 7 -2.976 -13.056 1.000
28 HA2 GLY 7 1HA GLY 7 -2.065 -11.940 -0.918
29 HA3 GLY 7 2HA GLY 7 -1.920 -13.502 -1.710
30 H THR 8 H THR 8 -4.668 -11.988 -0.042
31 HA THR 8 HA THR 8 -6.114 -11.904 -2.595
32 HB THR 8 HB THR 8 -8.173 -12.725 -1.349
33 HG1 THR 8 HG1 THR 8 -7.622 -12.725 0.762
34 HG21 THR 8 3HG2 THR 8 -7.496 -14.328 -2.815
35 HG22 THR 8 1HG2 THR 8 -7.120 -15.185 -1.321
36 HG23 THR 8 2HG2 THR 8 -5.843 -14.347 -2.202
37 H GLY 9 H GLY 9 -7.362 -10.135 -2.864
38 HA2 GLY 9 1HA GLY 9 -8.929 -8.647 -1.407
39 HA3 GLY 9 2HA GLY 9 -7.405 -8.205 -0.651
40 H GLU 10 H GLU 10 -8.666 -8.565 -3.971
41 HA GLU 10 HA GLU 10 -6.961 -6.601 -5.067
42 HB2 GLU 10 1HB GLU 10 -9.585 -7.712 -6.073
43 HB3 GLU 10 2HB GLU 10 -8.527 -6.671 -7.015
44 HG2 GLU 10 1HG GLU 10 -6.735 -8.487 -6.473
45 HG3 GLU 10 2HG GLU 10 -8.144 -9.504 -6.178
46 H LYS 11 H LYS 11 -7.169 -4.447 -5.336
47 HA LYS 11 HA LYS 11 -9.632 -3.189 -4.316
48 HB2 LYS 11 1HB LYS 11 -6.749 -2.466 -3.917
49 HB3 LYS 11 2HB LYS 11 -7.987 -1.221 -3.837
50 HG2 LYS 11 1HG LYS 11 -9.104 -2.951 -2.176
51 HG3 LYS 11 2HG LYS 11 -7.426 -3.466 -1.984
52 HD2 LYS 11 1HD LYS 11 -6.858 -1.043 -1.562
53 HD3 LYS 11 2HD LYS 11 -8.594 -0.735 -1.483
54 HE2 LYS 11 1HE LYS 11 -7.927 -1.037 0.748
55 HE3 LYS 11 2HE LYS 11 -8.673 -2.566 0.284
56 HZ1 LYS 11 3HZ LYS 11 -5.862 -1.958 0.824
57 HZ2 LYS 11 1HZ LYS 11 -6.206 -3.145 -0.332
58 HZ3 LYS 11 2HZ LYS 11 -6.773 -3.317 1.252
59 HA PRO 12 HA PRO 12 -10.059 -1.066 -8.134
60 HB2 PRO 12 1HB PRO 12 -11.115 1.298 -7.320
61 HB3 PRO 12 2HB PRO 12 -12.028 -0.215 -7.310
62 HG2 PRO 12 1HG PRO 12 -10.635 1.172 -5.052
63 HG3 PRO 12 2HG PRO 12 -12.228 0.394 -5.075
64 HD2 PRO 12 1HD PRO 12 -10.033 -0.811 -4.044
65 HD3 PRO 12 2HD PRO 12 -11.340 -1.719 -4.832
66 H TYR 13 H TYR 13 -8.029 0.169 -5.658
67 HA TYR 13 HA TYR 13 -6.594 1.781 -7.650
68 HB2 TYR 13 1HB TYR 13 -7.106 2.647 -4.797
69 HB3 TYR 13 2HB TYR 13 -6.186 3.537 -6.005
70 HD1 TYR 13 HD2 TYR 13 -7.511 4.105 -8.211
71 HD2 TYR 13 HD1 TYR 13 -9.334 3.180 -4.479
72 HE1 TYR 13 HE2 TYR 13 -9.563 5.250 -8.937
73 HE2 TYR 13 HE1 TYR 13 -11.392 4.321 -5.195
74 HH TYR 13 HH TYR 13 -11.790 6.365 -7.114
75 H ILE 14 H ILE 14 -4.597 1.042 -7.847
76 HA ILE 14 HA ILE 14 -3.160 0.147 -5.451
77 HB ILE 14 HB ILE 14 -3.205 -1.370 -8.063
78 HG12 ILE 14 1HG1 ILE 14 -4.185 -2.226 -5.333
79 HG13 ILE 14 2HG1 ILE 14 -5.234 -1.626 -6.613
80 HG21 ILE 14 1HG2 ILE 14 -1.769 -2.029 -5.496
81 HG22 ILE 14 2HG2 ILE 14 -1.728 -2.950 -6.998
82 HG23 ILE 14 3HG2 ILE 14 -1.006 -1.343 -6.930
83 HD11 ILE 14 3HD1 ILE 14 -3.482 -3.834 -7.404
84 HD12 ILE 14 1HD1 ILE 14 -4.674 -4.234 -6.167
85 HD13 ILE 14 2HD1 ILE 14 -5.198 -3.571 -7.715
86 H CYS 15 H CYS 15 -0.980 0.569 -5.437
87 HA CYS 15 HA CYS 15 -0.065 2.535 -7.346
88 HB2 CYS 15 1HB CYS 15 0.375 2.698 -4.882
89 HB3 CYS 15 2HB CYS 15 1.452 1.314 -5.034
90 H ALA 16 H ALA 16 0.512 1.735 -9.279
91 HA ALA 16 HA ALA 16 1.557 -0.807 -9.788
92 HB1 ALA 16 3HB ALA 16 2.174 1.573 -11.506
93 HB2 ALA 16 1HB ALA 16 1.898 -0.101 -11.989
94 HB3 ALA 16 2HB ALA 16 0.551 0.887 -11.423
95 H GLU 17 H GLU 17 3.137 2.206 -8.935
96 HA GLU 17 HA GLU 17 5.745 1.739 -9.642
97 HB2 GLU 17 1HB GLU 17 4.799 2.972 -7.048
98 HB3 GLU 17 2HB GLU 17 6.392 3.175 -7.763
99 HG2 GLU 17 1HG GLU 17 3.823 4.043 -9.063
100 HG3 GLU 17 2HG GLU 17 4.876 5.096 -8.120
101 H CYS 18 H CYS 18 4.513 1.080 -6.359
102 HA CYS 18 HA CYS 18 6.557 -1.009 -6.093
103 HB2 CYS 18 1HB CYS 18 6.044 -0.843 -3.644
104 HB3 CYS 18 2HB CYS 18 6.683 0.638 -4.350
105 H GLY 19 H GLY 19 3.114 -0.413 -5.414
106 HA2 GLY 19 1HA GLY 19 1.580 -2.182 -6.250
107 HA3 GLY 19 2HA GLY 19 2.703 -3.338 -5.547
108 H LYS 20 H LYS 20 0.910 -0.433 -4.509
109 HA LYS 20 HA LYS 20 0.174 -1.903 -2.063
110 HB2 LYS 20 1HB LYS 20 1.742 0.162 -1.908
111 HB3 LYS 20 2HB LYS 20 0.283 1.096 -2.211
112 HG2 LYS 20 1HG LYS 20 -0.723 0.363 -0.212
113 HG3 LYS 20 2HG LYS 20 0.474 -0.915 0.011
114 HD2 LYS 20 1HD LYS 20 2.153 1.106 0.039
115 HD3 LYS 20 2HD LYS 20 0.711 2.021 0.484
116 HE2 LYS 20 1HE LYS 20 1.737 1.359 2.512
117 HE3 LYS 20 2HE LYS 20 0.332 0.314 2.300
118 HZ1 LYS 20 3HZ LYS 20 3.113 -0.372 2.417
119 HZ2 LYS 20 1HZ LYS 20 2.336 -1.051 1.077
120 HZ3 LYS 20 2HZ LYS 20 1.751 -1.350 2.635
121 H ALA 21 H ALA 21 -1.935 -2.083 -1.587
122 HA ALA 21 HA ALA 21 -3.851 -0.944 -3.468
123 HB1 ALA 21 3HB ALA 21 -5.394 -2.455 -1.905
124 HB2 ALA 21 1HB ALA 21 -4.456 -3.118 -3.243
125 HB3 ALA 21 2HB ALA 21 -3.844 -3.235 -1.593
126 H PHE 22 H PHE 22 -5.410 0.511 -2.948
127 HA PHE 22 HA PHE 22 -5.562 1.416 -0.153
128 HB2 PHE 22 1HB PHE 22 -5.146 3.065 -2.631
129 HB3 PHE 22 2HB PHE 22 -5.926 3.759 -1.213
130 HD1 PHE 22 HD2 PHE 22 -2.809 2.302 -2.512
131 HD2 PHE 22 HD1 PHE 22 -4.679 4.330 0.728
132 HE1 PHE 22 HE2 PHE 22 -0.600 2.767 -1.533
133 HE2 PHE 22 HE1 PHE 22 -2.474 4.800 1.712
134 HZ PHE 22 HZ PHE 22 -0.430 4.017 0.582
135 H THR 23 H THR 23 -7.552 2.507 0.406
136 HA THR 23 HA THR 23 -9.825 1.279 -0.887
137 HB THR 23 HB THR 23 -11.126 2.507 0.919
138 HG1 THR 23 HG1 THR 23 -9.494 3.068 2.701
139 HG21 THR 23 3HG2 THR 23 -9.878 0.127 0.977
140 HG22 THR 23 1HG2 THR 23 -10.824 0.752 2.327
141 HG23 THR 23 2HG2 THR 23 -9.068 0.917 2.329
142 H ILE 24 H ILE 24 -8.692 4.589 -0.262
143 HA ILE 24 HA ILE 24 -10.670 5.568 -2.207
144 HB ILE 24 HB ILE 24 -9.162 7.060 -0.058
145 HG12 ILE 24 1HG1 ILE 24 -11.033 5.657 0.742
146 HG13 ILE 24 2HG1 ILE 24 -11.362 7.373 0.951
147 HG21 ILE 24 1HG2 ILE 24 -9.356 8.608 -1.797
148 HG22 ILE 24 2HG2 ILE 24 -10.949 8.019 -2.267
149 HG23 ILE 24 3HG2 ILE 24 -10.753 8.936 -0.773
150 HD11 ILE 24 3HD1 ILE 24 -12.604 5.417 -0.913
151 HD12 ILE 24 1HD1 ILE 24 -13.360 6.617 0.135
152 HD13 ILE 24 2HD1 ILE 24 -12.558 7.124 -1.352
153 H ARG 25 H ARG 25 -10.052 6.734 -3.978
154 HA ARG 25 HA ARG 25 -7.560 6.271 -5.122
155 HB2 ARG 25 1HB ARG 25 -9.642 6.933 -6.341
156 HB3 ARG 25 2HB ARG 25 -9.407 8.575 -5.760
157 HG2 ARG 25 1HG ARG 25 -7.117 8.457 -6.883
158 HG3 ARG 25 2HG ARG 25 -7.737 7.021 -7.702
159 HD2 ARG 25 1HD ARG 25 -9.358 9.524 -7.724
160 HD3 ARG 25 2HD ARG 25 -7.959 9.400 -8.791
161 HE ARG 25 HE ARG 25 -9.733 7.145 -8.949
162 HH11 ARG 25 1HH1 ARG 25 -9.073 10.355 -10.123
163 HH12 ARG 25 2HH1 ARG 25 -9.927 10.127 -11.613
164 HH21 ARG 25 1HH2 ARG 25 -10.861 6.832 -10.907
165 HH22 ARG 25 2HH2 ARG 25 -10.944 8.123 -12.057
166 H SER 26 H SER 26 -8.777 9.228 -3.558
167 HA SER 26 HA SER 26 -6.495 10.794 -3.880
168 HB2 SER 26 1HB SER 26 -8.858 11.413 -2.973
169 HB3 SER 26 2HB SER 26 -8.183 10.987 -1.400
170 HG SER 26 HG SER 26 -7.717 13.094 -1.591
171 H ASN 27 H ASN 27 -7.457 8.898 -1.014
172 HA ASN 27 HA ASN 27 -5.396 9.290 0.672
173 HB2 ASN 27 1HB ASN 27 -7.008 6.866 0.024
174 HB3 ASN 27 2HB ASN 27 -5.610 6.668 1.077
175 HD21 ASN 27 1HD2 ASN 27 -7.617 6.007 2.396
176 HD22 ASN 27 2HD2 ASN 27 -8.276 7.245 3.404
177 H LEU 28 H LEU 28 -5.296 7.346 -2.259
178 HA LEU 28 HA LEU 28 -2.718 6.243 -1.821
179 HB2 LEU 28 1HB LEU 28 -4.218 5.185 -3.358
180 HB3 LEU 28 2HB LEU 28 -4.339 6.653 -4.325
181 HG LEU 28 HG LEU 28 -1.721 6.231 -4.574
182 HD11 LEU 28 1HD1 LEU 28 -1.690 4.258 -3.150
183 HD12 LEU 28 2HD1 LEU 28 -1.268 3.841 -4.811
184 HD13 LEU 28 3HD1 LEU 28 -2.878 3.473 -4.192
185 HD21 LEU 28 3HD2 LEU 28 -3.880 6.112 -6.205
186 HD22 LEU 28 1HD2 LEU 28 -3.282 4.457 -6.321
187 HD23 LEU 28 2HD2 LEU 28 -2.222 5.808 -6.725
188 H ILE 29 H ILE 29 -3.804 8.864 -3.985
189 HA ILE 29 HA ILE 29 -1.572 9.751 -5.132
190 HB ILE 29 HB ILE 29 -3.523 11.543 -3.683
191 HG12 ILE 29 1HG1 ILE 29 -4.448 9.951 -5.412
192 HG13 ILE 29 2HG1 ILE 29 -4.730 11.657 -5.743
193 HG21 ILE 29 1HG2 ILE 29 -2.783 13.273 -5.284
194 HG22 ILE 29 2HG2 ILE 29 -1.503 12.762 -4.185
195 HG23 ILE 29 3HG2 ILE 29 -1.523 12.175 -5.847
196 HD11 ILE 29 3HD1 ILE 29 -2.432 10.149 -6.941
197 HD12 ILE 29 1HD1 ILE 29 -4.026 10.211 -7.691
198 HD13 ILE 29 2HD1 ILE 29 -3.111 11.697 -7.441
199 H LYS 30 H LYS 30 -2.272 10.029 -1.706
200 HA LYS 30 HA LYS 30 -0.110 11.752 -1.060
201 HB2 LYS 30 1HB LYS 30 -2.051 11.471 0.414
202 HB3 LYS 30 2HB LYS 30 -1.612 9.789 0.682
203 HG2 LYS 30 1HG LYS 30 0.381 10.424 1.840
204 HG3 LYS 30 2HG LYS 30 0.140 12.121 1.421
205 HD2 LYS 30 1HD LYS 30 -0.702 12.126 3.546
206 HD3 LYS 30 2HD LYS 30 -2.169 11.727 2.649
207 HE2 LYS 30 1HE LYS 30 -0.421 9.496 3.546
208 HE3 LYS 30 2HE LYS 30 -1.391 10.328 4.760
209 HZ1 LYS 30 3HZ LYS 30 -2.564 8.427 3.851
210 HZ2 LYS 30 1HZ LYS 30 -2.434 9.057 2.286
211 HZ3 LYS 30 2HZ LYS 30 -3.367 9.859 3.446
212 H HIS 31 H HIS 31 -0.527 8.227 -0.835
213 HA HIS 31 HA HIS 31 1.909 7.544 0.264
214 HB2 HIS 31 1HB HIS 31 0.440 5.758 0.051
215 HB3 HIS 31 2HB HIS 31 0.048 6.147 -1.621
216 HD1 HIS 31 HD1 HIS 31 2.444 4.238 0.476
217 HD2 HIS 31 HD2 HIS 31 1.898 5.180 -3.534
218 HE1 HIS 31 HE1 HIS 31 3.971 2.692 -0.792
219 H GLN 32 H GLN 32 1.131 8.307 -3.087
220 HA GLN 32 HA GLN 32 3.356 7.484 -4.432
221 HB2 GLN 32 1HB GLN 32 1.601 9.889 -4.728
222 HB3 GLN 32 2HB GLN 32 3.030 9.739 -5.741
223 HG2 GLN 32 1HG GLN 32 1.291 8.847 -7.014
224 HG3 GLN 32 2HG GLN 32 2.152 7.445 -6.379
225 HE21 GLN 32 1HE2 GLN 32 -0.780 8.373 -7.117
226 HE22 GLN 32 2HE2 GLN 32 -1.711 7.607 -5.880
227 H LYS 33 H LYS 33 3.202 9.838 -1.951
228 HA LYS 33 HA LYS 33 5.357 11.495 -2.541
229 HB2 LYS 33 1HB LYS 33 4.157 10.549 0.047
230 HB3 LYS 33 2HB LYS 33 5.570 11.596 0.041
231 HG2 LYS 33 1HG LYS 33 4.211 13.171 -1.415
232 HG3 LYS 33 2HG LYS 33 2.811 12.187 -0.979
233 HD2 LYS 33 1HD LYS 33 3.524 12.575 1.448
234 HD3 LYS 33 2HD LYS 33 4.569 13.846 0.807
235 HE2 LYS 33 1HE LYS 33 2.725 15.072 -0.022
236 HE3 LYS 33 2HE LYS 33 1.624 13.715 0.210
237 HZ1 LYS 33 3HZ LYS 33 1.214 14.381 2.268
238 HZ2 LYS 33 1HZ LYS 33 2.118 15.780 1.971
239 HZ3 LYS 33 2HZ LYS 33 2.859 14.424 2.659
240 H ILE 34 H ILE 34 5.290 8.278 -1.110
241 HA ILE 34 HA ILE 34 7.974 8.148 -0.291
242 HB ILE 34 HB ILE 34 7.714 5.770 -0.181
243 HG12 ILE 34 1HG1 ILE 34 5.041 5.798 -1.499
244 HG13 ILE 34 2HG1 ILE 34 6.464 5.863 -2.534
245 HG21 ILE 34 1HG2 ILE 34 5.096 7.115 0.471
246 HG22 ILE 34 2HG2 ILE 34 5.655 5.576 1.124
247 HG23 ILE 34 3HG2 ILE 34 6.523 7.063 1.506
248 HD11 ILE 34 3HD1 ILE 34 5.713 3.587 -2.264
249 HD12 ILE 34 1HD1 ILE 34 7.288 3.801 -1.501
250 HD13 ILE 34 2HD1 ILE 34 5.831 3.730 -0.510
251 H HIS 35 H HIS 35 6.604 8.193 -3.402
252 HA HIS 35 HA HIS 35 8.969 6.951 -4.615
253 HB2 HIS 35 1HB HIS 35 6.299 7.732 -5.801
254 HB3 HIS 35 2HB HIS 35 7.637 7.062 -6.730
255 HD1 HIS 35 HD1 HIS 35 8.287 4.554 -6.197
256 HD2 HIS 35 HD2 HIS 35 4.765 5.891 -4.445
257 HE1 HIS 35 HE1 HIS 35 7.076 2.479 -5.452
258 H THR 36 H THR 36 7.756 9.965 -3.789
259 HA THR 36 HA THR 36 9.435 11.291 -5.818
260 HB THR 36 HB THR 36 8.035 13.323 -5.431
261 HG1 THR 36 HG1 THR 36 5.905 12.769 -4.446
262 HG21 THR 36 3HG2 THR 36 6.929 10.791 -6.561
263 HG22 THR 36 1HG2 THR 36 7.419 12.269 -7.387
264 HG23 THR 36 2HG2 THR 36 5.901 12.222 -6.491
265 H LYS 37 H LYS 37 11.340 11.655 -4.845
266 HA LYS 37 HA LYS 37 11.295 12.981 -2.213
267 HB2 LYS 37 1HB LYS 37 13.387 11.924 -1.665
268 HB3 LYS 37 2HB LYS 37 12.249 10.679 -2.164
269 HG2 LYS 37 1HG LYS 37 13.347 10.995 -4.502
270 HG3 LYS 37 2HG LYS 37 14.668 11.707 -3.572
271 HD2 LYS 37 1HD LYS 37 13.547 9.076 -2.723
272 HD3 LYS 37 2HD LYS 37 14.636 9.137 -4.111
273 HE2 LYS 37 1HE LYS 37 16.361 10.151 -2.774
274 HE3 LYS 37 2HE LYS 37 15.268 10.290 -1.398
275 HZ1 LYS 37 3HZ LYS 37 15.967 8.304 -0.757
276 HZ2 LYS 37 1HZ LYS 37 16.886 8.104 -2.163
277 HZ3 LYS 37 2HZ LYS 37 15.265 7.623 -2.138
278 H GLN 38 H GLN 38 13.678 14.000 -1.913
279 HA GLN 38 HA GLN 38 13.945 15.861 -4.161
280 HB2 GLN 38 1HB GLN 38 15.279 17.210 -2.474
281 HB3 GLN 38 2HB GLN 38 13.563 17.025 -2.139
282 HG2 GLN 38 1HG GLN 38 13.990 15.382 -0.468
283 HG3 GLN 38 2HG GLN 38 15.695 15.301 -0.908
284 HE21 GLN 38 1HE2 GLN 38 16.151 15.742 1.310
285 HE22 GLN 38 2HE2 GLN 38 16.081 17.360 1.910
286 H LYS 39 H LYS 39 15.200 14.556 -5.527
287 HA LYS 39 HA LYS 39 17.986 14.220 -4.633
288 HB2 LYS 39 1HB LYS 39 16.893 12.031 -4.775
289 HB3 LYS 39 2HB LYS 39 16.417 12.365 -6.434
290 HG2 LYS 39 1HG LYS 39 18.742 12.409 -7.121
291 HG3 LYS 39 2HG LYS 39 19.256 12.149 -5.452
292 HD2 LYS 39 1HD LYS 39 17.694 10.041 -5.644
293 HD3 LYS 39 2HD LYS 39 17.987 10.252 -7.372
294 HE2 LYS 39 1HE LYS 39 19.684 8.805 -6.727
295 HE3 LYS 39 2HE LYS 39 20.476 10.379 -6.703
296 HZ1 LYS 39 3HZ LYS 39 20.398 8.578 -4.651
297 HZ2 LYS 39 1HZ LYS 39 19.266 9.749 -4.195
298 HZ3 LYS 39 2HZ LYS 39 20.859 10.201 -4.536
299 HA PRO 40 HA PRO 40 18.887 16.807 -8.105
300 HB2 PRO 40 1HB PRO 40 21.572 16.407 -8.153
301 HB3 PRO 40 2HB PRO 40 20.774 17.425 -6.948
302 HG2 PRO 40 1HG PRO 40 21.716 14.593 -6.712
303 HG3 PRO 40 2HG PRO 40 21.869 15.924 -5.550
304 HD2 PRO 40 1HD PRO 40 19.976 14.002 -5.322
305 HD3 PRO 40 2HD PRO 40 19.709 15.673 -4.786
306 H SER 41 H SER 41 20.251 16.628 -10.168
307 HA SER 41 HA SER 41 19.392 14.321 -11.596
308 HB2 SER 41 1HB SER 41 20.527 15.335 -13.518
309 HB3 SER 41 2HB SER 41 19.573 16.542 -12.655
310 HG SER 41 HG SER 41 22.360 16.223 -12.778
311 H GLY 42 H GLY 42 20.346 12.405 -11.685
312 HA2 GLY 42 1HA GLY 42 23.254 12.229 -11.774
313 HA3 GLY 42 2HA GLY 42 22.473 11.447 -10.408
314 HA PRO 43 HA PRO 43 21.252 9.152 -14.530
315 HB2 PRO 43 1HB PRO 43 23.112 9.386 -16.493
316 HB3 PRO 43 2HB PRO 43 21.725 10.472 -16.350
317 HG2 PRO 43 1HG PRO 43 24.557 10.891 -15.474
318 HG3 PRO 43 2HG PRO 43 23.460 12.020 -16.290
319 HD2 PRO 43 1HD PRO 43 23.933 12.117 -13.626
320 HD3 PRO 43 2HD PRO 43 22.369 12.570 -14.335
321 H SER 44 H SER 44 24.471 9.523 -13.252
322 HA SER 44 HA SER 44 26.085 8.035 -12.655
323 HB2 SER 44 1HB SER 44 24.085 7.014 -11.485
324 HB3 SER 44 2HB SER 44 23.942 5.913 -12.855
325 HG SER 44 HG SER 44 26.466 6.089 -11.759
326 H SER 45 H SER 45 26.062 8.675 -15.318
327 HA SER 45 HA SER 45 26.857 8.033 -17.351
328 HB2 SER 45 1HB SER 45 27.954 5.803 -15.633
329 HB3 SER 45 2HB SER 45 28.348 5.977 -17.343
330 HG SER 45 HG SER 45 29.917 7.099 -16.370
331 H GLY 46 H GLY 46 24.200 7.451 -16.957
332 HA2 GLY 46 1HA GLY 46 22.478 6.005 -17.537
333 HA3 GLY 46 2HA GLY 46 23.427 5.907 -19.014
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -0.986 -15.781 5.898
2 HA2 GLY 1 1HA GLY 1 -0.194 -18.177 7.319
3 HA3 GLY 1 2HA GLY 1 -1.850 -17.670 7.614
4 H SER 2 H SER 2 -0.917 -20.110 6.355
5 HA SER 2 HA SER 2 -1.425 -19.853 3.532
6 HB2 SER 2 1HB SER 2 -1.428 -22.445 3.725
7 HB3 SER 2 2HB SER 2 0.081 -21.579 4.012
8 HG SER 2 HG SER 2 -1.607 -22.060 6.188
9 H SER 3 H SER 3 -3.333 -20.135 6.307
10 HA SER 3 HA SER 3 -5.675 -20.788 4.656
11 HB2 SER 3 1HB SER 3 -6.615 -22.123 6.493
12 HB3 SER 3 2HB SER 3 -5.075 -22.793 5.953
13 HG SER 3 HG SER 3 -5.678 -21.393 8.318
14 H GLY 4 H GLY 4 -6.169 -18.573 4.561
15 HA2 GLY 4 1HA GLY 4 -6.555 -17.094 7.028
16 HA3 GLY 4 2HA GLY 4 -6.803 -16.489 5.397
17 H SER 5 H SER 5 -8.819 -15.686 5.464
18 HA SER 5 HA SER 5 -10.958 -17.452 6.459
19 HB2 SER 5 1HB SER 5 -10.990 -15.481 7.774
20 HB3 SER 5 2HB SER 5 -10.736 -14.445 6.370
21 HG SER 5 HG SER 5 -12.982 -14.775 7.357
22 H SER 6 H SER 6 -10.346 -14.920 4.025
23 HA SER 6 HA SER 6 -12.271 -16.287 2.260
24 HB2 SER 6 1HB SER 6 -11.492 -13.362 2.344
25 HB3 SER 6 2HB SER 6 -12.565 -14.082 1.145
26 HG SER 6 HG SER 6 -13.541 -14.832 3.425
27 H GLY 7 H GLY 7 -9.436 -14.123 2.025
28 HA2 GLY 7 1HA GLY 7 -7.645 -15.689 0.756
29 HA3 GLY 7 2HA GLY 7 -8.735 -15.246 -0.549
30 H THR 8 H THR 8 -7.024 -14.155 -1.605
31 HA THR 8 HA THR 8 -5.455 -12.133 -0.469
32 HB THR 8 HB THR 8 -6.339 -12.361 -3.353
33 HG1 THR 8 HG1 THR 8 -4.472 -13.733 -1.807
34 HG21 THR 8 3HG2 THR 8 -5.293 -10.374 -3.498
35 HG22 THR 8 1HG2 THR 8 -3.814 -11.322 -3.350
36 HG23 THR 8 2HG2 THR 8 -4.518 -10.558 -1.925
37 H GLY 9 H GLY 9 -8.527 -11.933 -2.252
38 HA2 GLY 9 1HA GLY 9 -10.239 -10.381 -1.696
39 HA3 GLY 9 2HA GLY 9 -9.027 -9.356 -0.942
40 H GLU 10 H GLU 10 -10.046 -7.622 -2.154
41 HA GLU 10 HA GLU 10 -8.787 -7.321 -4.765
42 HB2 GLU 10 1HB GLU 10 -11.065 -8.234 -5.187
43 HB3 GLU 10 2HB GLU 10 -11.743 -6.836 -4.365
44 HG2 GLU 10 1HG GLU 10 -11.246 -5.409 -6.078
45 HG3 GLU 10 2HG GLU 10 -9.887 -6.380 -6.640
46 H LYS 11 H LYS 11 -8.986 -5.052 -5.575
47 HA LYS 11 HA LYS 11 -9.617 -3.027 -3.605
48 HB2 LYS 11 1HB LYS 11 -7.174 -3.930 -3.289
49 HB3 LYS 11 2HB LYS 11 -6.832 -2.942 -4.704
50 HG2 LYS 11 1HG LYS 11 -6.324 -1.663 -2.760
51 HG3 LYS 11 2HG LYS 11 -7.783 -0.989 -3.491
52 HD2 LYS 11 1HD LYS 11 -9.160 -2.168 -1.863
53 HD3 LYS 11 2HD LYS 11 -7.718 -2.897 -1.152
54 HE2 LYS 11 1HE LYS 11 -6.918 -0.495 -0.779
55 HE3 LYS 11 2HE LYS 11 -8.581 -0.020 -1.118
56 HZ1 LYS 11 3HZ LYS 11 -7.593 -0.765 1.307
57 HZ2 LYS 11 1HZ LYS 11 -8.415 -2.149 0.786
58 HZ3 LYS 11 2HZ LYS 11 -9.230 -0.671 0.892
59 HA PRO 12 HA PRO 12 -10.696 -0.983 -7.373
60 HB2 PRO 12 1HB PRO 12 -11.182 1.471 -6.320
61 HB3 PRO 12 2HB PRO 12 -12.293 0.108 -6.134
62 HG2 PRO 12 1HG PRO 12 -10.261 1.172 -4.210
63 HG3 PRO 12 2HG PRO 12 -11.923 0.638 -3.900
64 HD2 PRO 12 1HD PRO 12 -9.771 -0.921 -3.381
65 HD3 PRO 12 2HD PRO 12 -11.337 -1.591 -3.882
66 H TYR 13 H TYR 13 -8.146 0.086 -5.249
67 HA TYR 13 HA TYR 13 -6.823 1.354 -7.545
68 HB2 TYR 13 1HB TYR 13 -7.048 2.482 -4.751
69 HB3 TYR 13 2HB TYR 13 -5.912 3.080 -5.955
70 HD1 TYR 13 HD2 TYR 13 -6.858 4.001 -8.134
71 HD2 TYR 13 HD1 TYR 13 -9.262 3.255 -4.703
72 HE1 TYR 13 HE2 TYR 13 -8.591 5.500 -9.029
73 HE2 TYR 13 HE1 TYR 13 -11.001 4.752 -5.589
74 HH TYR 13 HH TYR 13 -11.685 5.932 -7.366
75 H ILE 14 H ILE 14 -4.694 0.902 -7.762
76 HA ILE 14 HA ILE 14 -3.241 -0.307 -5.538
77 HB ILE 14 HB ILE 14 -3.484 -1.649 -8.234
78 HG12 ILE 14 1HG1 ILE 14 -4.271 -3.525 -6.504
79 HG13 ILE 14 2HG1 ILE 14 -4.745 -2.107 -5.574
80 HG21 ILE 14 1HG2 ILE 14 -1.670 -2.853 -7.763
81 HG22 ILE 14 2HG2 ILE 14 -1.334 -1.672 -6.498
82 HG23 ILE 14 3HG2 ILE 14 -2.206 -3.155 -6.110
83 HD11 ILE 14 3HD1 ILE 14 -6.477 -1.664 -6.911
84 HD12 ILE 14 1HD1 ILE 14 -5.574 -2.045 -8.378
85 HD13 ILE 14 2HD1 ILE 14 -6.291 -3.342 -7.422
86 H CYS 15 H CYS 15 -1.398 0.766 -5.368
87 HA CYS 15 HA CYS 15 -0.385 2.592 -7.179
88 HB2 CYS 15 1HB CYS 15 0.260 2.364 -4.761
89 HB3 CYS 15 2HB CYS 15 1.274 0.999 -5.218
90 H ALA 16 H ALA 16 0.431 2.341 -9.140
91 HA ALA 16 HA ALA 16 1.388 -0.259 -10.011
92 HB1 ALA 16 3HB ALA 16 1.700 1.765 -12.008
93 HB2 ALA 16 1HB ALA 16 0.606 0.381 -11.985
94 HB3 ALA 16 2HB ALA 16 0.109 1.911 -11.262
95 H GLU 17 H GLU 17 2.994 1.067 -8.052
96 HA GLU 17 HA GLU 17 5.452 1.464 -9.623
97 HB2 GLU 17 1HB GLU 17 4.464 3.008 -7.236
98 HB3 GLU 17 2HB GLU 17 6.167 2.970 -7.667
99 HG2 GLU 17 1HG GLU 17 5.198 4.949 -8.575
100 HG3 GLU 17 2HG GLU 17 5.571 3.852 -9.903
101 H CYS 18 H CYS 18 4.110 0.558 -6.466
102 HA CYS 18 HA CYS 18 6.441 -1.204 -6.076
103 HB2 CYS 18 1HB CYS 18 5.980 -0.985 -3.627
104 HB3 CYS 18 2HB CYS 18 6.472 0.519 -4.397
105 H GLY 19 H GLY 19 2.967 -0.830 -5.422
106 HA2 GLY 19 1HA GLY 19 1.801 -2.978 -6.293
107 HA3 GLY 19 2HA GLY 19 2.769 -3.738 -5.038
108 H LYS 20 H LYS 20 2.276 -0.988 -3.594
109 HA LYS 20 HA LYS 20 0.523 -1.807 -1.676
110 HB2 LYS 20 1HB LYS 20 1.935 0.390 -1.918
111 HB3 LYS 20 2HB LYS 20 0.435 1.058 -2.548
112 HG2 LYS 20 1HG LYS 20 -0.645 0.899 -0.530
113 HG3 LYS 20 2HG LYS 20 0.392 -0.409 0.045
114 HD2 LYS 20 1HD LYS 20 1.461 2.357 -0.430
115 HD3 LYS 20 2HD LYS 20 0.694 1.911 1.095
116 HE2 LYS 20 1HE LYS 20 3.078 0.546 -0.150
117 HE3 LYS 20 2HE LYS 20 3.129 1.676 1.202
118 HZ1 LYS 20 3HZ LYS 20 3.170 -0.396 2.208
119 HZ2 LYS 20 1HZ LYS 20 2.050 -1.069 1.134
120 HZ3 LYS 20 2HZ LYS 20 1.536 0.030 2.311
121 H ALA 21 H ALA 21 -1.700 -1.155 -1.188
122 HA ALA 21 HA ALA 21 -3.366 -0.677 -3.555
123 HB1 ALA 21 3HB ALA 21 -4.379 -2.659 -1.598
124 HB2 ALA 21 1HB ALA 21 -4.630 -2.552 -3.341
125 HB3 ALA 21 2HB ALA 21 -3.110 -3.183 -2.705
126 H PHE 22 H PHE 22 -4.830 0.861 -3.212
127 HA PHE 22 HA PHE 22 -5.625 1.444 -0.436
128 HB2 PHE 22 1HB PHE 22 -5.102 3.409 -2.675
129 HB3 PHE 22 2HB PHE 22 -5.791 3.837 -1.113
130 HD1 PHE 22 HD2 PHE 22 -2.766 2.751 -2.871
131 HD2 PHE 22 HD1 PHE 22 -4.430 3.954 0.858
132 HE1 PHE 22 HE2 PHE 22 -0.500 3.043 -1.958
133 HE2 PHE 22 HE1 PHE 22 -2.167 4.249 1.777
134 HZ PHE 22 HZ PHE 22 -0.198 3.792 0.369
135 H THR 23 H THR 23 -7.722 2.571 -0.250
136 HA THR 23 HA THR 23 -9.629 1.429 -2.155
137 HB THR 23 HB THR 23 -10.337 0.813 -0.040
138 HG1 THR 23 HG1 THR 23 -11.840 2.396 -1.298
139 HG21 THR 23 3HG2 THR 23 -9.574 3.573 0.918
140 HG22 THR 23 1HG2 THR 23 -8.732 2.064 1.267
141 HG23 THR 23 2HG2 THR 23 -10.348 2.342 1.915
142 H ILE 24 H ILE 24 -8.867 4.507 -0.557
143 HA ILE 24 HA ILE 24 -10.737 5.925 -2.276
144 HB ILE 24 HB ILE 24 -8.862 7.108 -0.230
145 HG12 ILE 24 1HG1 ILE 24 -11.701 6.117 0.099
146 HG13 ILE 24 2HG1 ILE 24 -10.265 5.460 0.876
147 HG21 ILE 24 1HG2 ILE 24 -10.218 9.035 -0.319
148 HG22 ILE 24 2HG2 ILE 24 -9.930 8.575 -1.996
149 HG23 ILE 24 3HG2 ILE 24 -11.475 8.203 -1.233
150 HD11 ILE 24 3HD1 ILE 24 -10.381 8.213 1.497
151 HD12 ILE 24 1HD1 ILE 24 -11.985 7.532 1.766
152 HD13 ILE 24 2HD1 ILE 24 -10.583 6.832 2.575
153 H ARG 25 H ARG 25 -10.151 7.558 -3.727
154 HA ARG 25 HA ARG 25 -7.856 7.073 -5.271
155 HB2 ARG 25 1HB ARG 25 -9.931 8.129 -6.126
156 HB3 ARG 25 2HB ARG 25 -9.548 9.577 -5.203
157 HG2 ARG 25 1HG ARG 25 -7.790 10.155 -6.583
158 HG3 ARG 25 2HG ARG 25 -7.584 8.507 -7.180
159 HD2 ARG 25 1HD ARG 25 -8.547 9.762 -8.947
160 HD3 ARG 25 2HD ARG 25 -9.826 8.741 -8.290
161 HE ARG 25 HE ARG 25 -10.966 10.630 -7.713
162 HH11 ARG 25 1HH1 ARG 25 -7.617 11.451 -8.198
163 HH12 ARG 25 2HH1 ARG 25 -7.874 13.155 -8.017
164 HH21 ARG 25 1HH2 ARG 25 -11.316 12.871 -7.473
165 HH22 ARG 25 2HH2 ARG 25 -9.978 13.962 -7.604
166 H SER 26 H SER 26 -8.569 9.584 -2.873
167 HA SER 26 HA SER 26 -6.134 10.991 -3.184
168 HB2 SER 26 1HB SER 26 -6.715 12.013 -0.985
169 HB3 SER 26 2HB SER 26 -8.045 12.063 -2.142
170 HG SER 26 HG SER 26 -8.481 9.867 -0.962
171 H ASN 27 H ASN 27 -7.153 8.389 -1.022
172 HA ASN 27 HA ASN 27 -5.069 8.281 0.752
173 HB2 ASN 27 1HB ASN 27 -6.863 6.231 -0.450
174 HB3 ASN 27 2HB ASN 27 -5.453 5.654 0.434
175 HD21 ASN 27 1HD2 ASN 27 -5.737 5.322 2.510
176 HD22 ASN 27 2HD2 ASN 27 -6.933 6.069 3.508
177 H LEU 28 H LEU 28 -5.126 7.164 -2.585
178 HA LEU 28 HA LEU 28 -2.521 5.956 -2.445
179 HB2 LEU 28 1HB LEU 28 -4.029 5.020 -4.005
180 HB3 LEU 28 2HB LEU 28 -4.399 6.596 -4.702
181 HG LEU 28 HG LEU 28 -2.051 6.666 -5.573
182 HD11 LEU 28 1HD1 LEU 28 -2.014 4.017 -4.237
183 HD12 LEU 28 2HD1 LEU 28 -0.735 5.217 -4.414
184 HD13 LEU 28 3HD1 LEU 28 -1.164 4.180 -5.774
185 HD21 LEU 28 3HD2 LEU 28 -4.293 5.119 -6.484
186 HD22 LEU 28 1HD2 LEU 28 -2.782 4.372 -7.006
187 HD23 LEU 28 2HD2 LEU 28 -3.123 6.053 -7.418
188 H ILE 29 H ILE 29 -3.869 8.985 -3.670
189 HA ILE 29 HA ILE 29 -1.707 10.036 -5.004
190 HB ILE 29 HB ILE 29 -3.643 11.515 -3.219
191 HG12 ILE 29 1HG1 ILE 29 -4.606 10.176 -5.120
192 HG13 ILE 29 2HG1 ILE 29 -4.931 11.904 -5.205
193 HG21 ILE 29 1HG2 ILE 29 -2.967 13.529 -4.216
194 HG22 ILE 29 2HG2 ILE 29 -1.466 12.695 -3.816
195 HG23 ILE 29 3HG2 ILE 29 -2.057 12.697 -5.477
196 HD11 ILE 29 3HD1 ILE 29 -4.198 10.609 -7.327
197 HD12 ILE 29 1HD1 ILE 29 -3.535 12.210 -7.003
198 HD13 ILE 29 2HD1 ILE 29 -2.580 10.771 -6.644
199 H LYS 30 H LYS 30 -2.373 10.189 -1.519
200 HA LYS 30 HA LYS 30 -0.154 11.736 -0.791
201 HB2 LYS 30 1HB LYS 30 -1.890 9.774 0.670
202 HB3 LYS 30 2HB LYS 30 -0.470 10.449 1.459
203 HG2 LYS 30 1HG LYS 30 -2.052 11.934 2.145
204 HG3 LYS 30 2HG LYS 30 -1.519 12.726 0.660
205 HD2 LYS 30 1HD LYS 30 -3.395 11.519 -0.517
206 HD3 LYS 30 2HD LYS 30 -3.982 11.042 1.078
207 HE2 LYS 30 1HE LYS 30 -3.471 13.911 0.338
208 HE3 LYS 30 2HE LYS 30 -5.018 13.121 0.034
209 HZ1 LYS 30 3HZ LYS 30 -5.428 13.958 2.083
210 HZ2 LYS 30 1HZ LYS 30 -3.807 13.927 2.564
211 HZ3 LYS 30 2HZ LYS 30 -4.717 12.502 2.570
212 H HIS 31 H HIS 31 -0.547 8.217 -1.004
213 HA HIS 31 HA HIS 31 1.866 7.376 0.012
214 HB2 HIS 31 1HB HIS 31 0.191 5.769 -0.610
215 HB3 HIS 31 2HB HIS 31 0.270 6.261 -2.299
216 HD1 HIS 31 HD1 HIS 31 2.376 4.517 0.319
217 HD2 HIS 31 HD2 HIS 31 2.093 4.896 -3.809
218 HE1 HIS 31 HE1 HIS 31 4.013 2.856 -0.622
219 H GLN 32 H GLN 32 1.163 8.398 -3.316
220 HA GLN 32 HA GLN 32 3.488 7.889 -4.606
221 HB2 GLN 32 1HB GLN 32 1.782 10.373 -4.746
222 HB3 GLN 32 2HB GLN 32 3.099 10.051 -5.866
223 HG2 GLN 32 1HG GLN 32 1.972 7.955 -6.527
224 HG3 GLN 32 2HG GLN 32 0.623 8.387 -5.477
225 HE21 GLN 32 1HE2 GLN 32 0.498 7.934 -8.280
226 HE22 GLN 32 2HE2 GLN 32 -0.012 9.408 -9.023
227 H LYS 33 H LYS 33 3.042 10.088 -1.987
228 HA LYS 33 HA LYS 33 5.129 11.871 -2.299
229 HB2 LYS 33 1HB LYS 33 3.945 10.611 0.168
230 HB3 LYS 33 2HB LYS 33 5.213 11.826 0.262
231 HG2 LYS 33 1HG LYS 33 2.652 12.313 -1.222
232 HG3 LYS 33 2HG LYS 33 2.813 12.619 0.509
233 HD2 LYS 33 1HD LYS 33 4.838 14.039 -0.090
234 HD3 LYS 33 2HD LYS 33 4.292 13.923 -1.764
235 HE2 LYS 33 1HE LYS 33 2.040 14.770 -0.891
236 HE3 LYS 33 2HE LYS 33 2.915 15.207 0.576
237 HZ1 LYS 33 3HZ LYS 33 4.382 16.591 -0.759
238 HZ2 LYS 33 1HZ LYS 33 2.770 17.070 -0.949
239 HZ3 LYS 33 2HZ LYS 33 3.535 16.174 -2.163
240 H ILE 34 H ILE 34 5.235 8.726 -0.624
241 HA ILE 34 HA ILE 34 7.981 8.758 -0.063
242 HB ILE 34 HB ILE 34 7.812 6.387 0.341
243 HG12 ILE 34 1HG1 ILE 34 4.992 6.279 -0.635
244 HG13 ILE 34 2HG1 ILE 34 6.290 6.171 -1.820
245 HG21 ILE 34 1HG2 ILE 34 6.912 7.564 2.131
246 HG22 ILE 34 2HG2 ILE 34 5.493 8.067 1.213
247 HG23 ILE 34 3HG2 ILE 34 5.650 6.394 1.746
248 HD11 ILE 34 3HD1 ILE 34 6.226 3.987 -1.407
249 HD12 ILE 34 1HD1 ILE 34 7.090 4.381 0.080
250 HD13 ILE 34 2HD1 ILE 34 5.335 4.204 0.099
251 H HIS 35 H HIS 35 6.320 8.301 -3.008
252 HA HIS 35 HA HIS 35 8.529 6.879 -4.271
253 HB2 HIS 35 1HB HIS 35 5.760 7.653 -5.134
254 HB3 HIS 35 2HB HIS 35 6.964 7.189 -6.332
255 HD1 HIS 35 HD1 HIS 35 8.244 4.768 -5.363
256 HD2 HIS 35 HD2 HIS 35 4.235 5.512 -4.562
257 HE1 HIS 35 HE1 HIS 35 7.231 2.522 -4.858
258 H THR 36 H THR 36 7.076 10.061 -4.157
259 HA THR 36 HA THR 36 8.638 11.100 -6.342
260 HB THR 36 HB THR 36 7.734 13.307 -5.646
261 HG1 THR 36 HG1 THR 36 7.420 13.165 -3.483
262 HG21 THR 36 3HG2 THR 36 5.328 12.749 -6.064
263 HG22 THR 36 1HG2 THR 36 5.761 11.044 -5.948
264 HG23 THR 36 2HG2 THR 36 6.450 12.043 -7.228
265 H LYS 37 H LYS 37 8.886 10.958 -2.858
266 HA LYS 37 HA LYS 37 11.487 12.332 -3.039
267 HB2 LYS 37 1HB LYS 37 11.144 13.230 -0.814
268 HB3 LYS 37 2HB LYS 37 9.801 13.697 -1.850
269 HG2 LYS 37 1HG LYS 37 8.311 12.298 -0.774
270 HG3 LYS 37 2HG LYS 37 9.588 11.263 -0.132
271 HD2 LYS 37 1HD LYS 37 8.919 12.449 1.742
272 HD3 LYS 37 2HD LYS 37 10.302 13.388 1.176
273 HE2 LYS 37 1HE LYS 37 7.599 14.097 0.157
274 HE3 LYS 37 2HE LYS 37 8.006 14.535 1.815
275 HZ1 LYS 37 3HZ LYS 37 8.504 16.251 0.073
276 HZ2 LYS 37 1HZ LYS 37 9.728 15.229 -0.493
277 HZ3 LYS 37 2HZ LYS 37 9.802 15.846 1.080
278 H GLN 38 H GLN 38 13.190 11.482 -1.856
279 HA GLN 38 HA GLN 38 12.900 8.681 -1.153
280 HB2 GLN 38 1HB GLN 38 15.384 8.767 -0.901
281 HB3 GLN 38 2HB GLN 38 14.809 9.237 -2.495
282 HG2 GLN 38 1HG GLN 38 15.114 11.574 -1.953
283 HG3 GLN 38 2HG GLN 38 15.601 11.151 -0.313
284 HE21 GLN 38 1HE2 GLN 38 17.317 12.663 -1.565
285 HE22 GLN 38 2HE2 GLN 38 18.689 11.779 -2.131
286 H LYS 39 H LYS 39 13.852 11.717 0.402
287 HA LYS 39 HA LYS 39 12.812 10.976 2.913
288 HB2 LYS 39 1HB LYS 39 15.066 9.618 2.587
289 HB3 LYS 39 2HB LYS 39 15.786 11.141 3.092
290 HG2 LYS 39 1HG LYS 39 14.811 11.045 5.202
291 HG3 LYS 39 2HG LYS 39 13.601 9.866 4.692
292 HD2 LYS 39 1HD LYS 39 15.327 8.164 4.472
293 HD3 LYS 39 2HD LYS 39 16.565 9.341 4.917
294 HE2 LYS 39 1HE LYS 39 16.076 8.043 6.855
295 HE3 LYS 39 2HE LYS 39 15.373 9.642 7.096
296 HZ1 LYS 39 3HZ LYS 39 14.075 7.253 7.347
297 HZ2 LYS 39 1HZ LYS 39 13.541 7.839 5.852
298 HZ3 LYS 39 2HZ LYS 39 13.347 8.777 7.246
299 HA PRO 40 HA PRO 40 13.053 15.364 3.236
300 HB2 PRO 40 1HB PRO 40 12.464 15.611 5.874
301 HB3 PRO 40 2HB PRO 40 11.252 15.203 4.654
302 HG2 PRO 40 1HG PRO 40 12.727 13.401 6.534
303 HG3 PRO 40 2HG PRO 40 11.012 13.387 6.086
304 HD2 PRO 40 1HD PRO 40 12.813 11.676 5.008
305 HD3 PRO 40 2HD PRO 40 11.409 12.279 4.104
306 H SER 41 H SER 41 15.414 15.273 2.846
307 HA SER 41 HA SER 41 17.599 15.653 3.394
308 HB2 SER 41 1HB SER 41 16.075 17.377 5.338
309 HB3 SER 41 2HB SER 41 17.838 17.384 5.294
310 HG SER 41 HG SER 41 17.754 18.077 3.167
311 H GLY 42 H GLY 42 16.734 13.224 4.384
312 HA2 GLY 42 1HA GLY 42 17.400 12.965 7.172
313 HA3 GLY 42 2HA GLY 42 17.068 11.653 6.050
314 HA PRO 43 HA PRO 43 21.718 12.240 6.999
315 HB2 PRO 43 1HB PRO 43 22.030 10.298 8.870
316 HB3 PRO 43 2HB PRO 43 21.656 11.976 9.280
317 HG2 PRO 43 1HG PRO 43 19.821 9.619 9.090
318 HG3 PRO 43 2HG PRO 43 19.875 10.899 10.316
319 HD2 PRO 43 1HD PRO 43 18.071 10.892 8.296
320 HD3 PRO 43 2HD PRO 43 18.721 12.391 8.991
321 H SER 44 H SER 44 19.909 9.170 7.207
322 HA SER 44 HA SER 44 20.456 7.086 6.373
323 HB2 SER 44 1HB SER 44 19.235 8.474 4.564
324 HB3 SER 44 2HB SER 44 20.809 8.567 3.775
325 HG SER 44 HG SER 44 20.841 6.321 3.657
326 H SER 45 H SER 45 22.723 8.130 7.537
327 HA SER 45 HA SER 45 24.914 7.834 5.644
328 HB2 SER 45 1HB SER 45 24.858 9.589 7.497
329 HB3 SER 45 2HB SER 45 25.153 8.264 8.623
330 HG SER 45 HG SER 45 27.170 8.357 8.084
331 H GLY 46 H GLY 46 23.998 6.376 8.774
332 HA2 GLY 46 1HA GLY 46 23.986 3.771 8.332
333 HA3 GLY 46 2HA GLY 46 25.709 4.082 8.182