Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
651868 | 6z0g RC | 50263 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H ARG 1 3H ARG 1 12.240 3.905 -13.026
2 HA ARG 1 HA ARG 1 12.783 1.658 -12.924
3 HB2 ARG 1 1HB ARG 1 12.685 2.618 -10.048
4 HB3 ARG 1 2HB ARG 1 13.763 1.387 -10.703
5 HG2 ARG 1 1HG ARG 1 13.707 4.270 -11.638
6 HG3 ARG 1 2HG ARG 1 14.853 3.632 -10.459
7 HD2 ARG 1 1HD ARG 1 15.594 1.953 -12.160
8 HD3 ARG 1 2HD ARG 1 14.535 2.729 -13.335
9 HE ARG 1 HE ARG 1 16.098 4.410 -13.553
10 HH11 ARG 1 1HH1 ARG 1 16.774 2.698 -10.564
11 HH12 ARG 1 2HH1 ARG 1 18.243 3.572 -10.280
12 HH21 ARG 1 1HH2 ARG 1 17.996 5.502 -13.134
13 HH22 ARG 1 2HH2 ARG 1 18.925 5.139 -11.718
14 H SER 2 H SER 2 10.900 0.482 -13.534
15 HA SER 2 HA SER 2 8.739 -0.122 -11.850
16 HB2 SER 2 1HB SER 2 8.158 -1.799 -13.435
17 HB3 SER 2 2HB SER 2 8.929 -0.513 -14.359
18 HG SER 2 HG SER 2 9.974 -3.009 -13.530
19 H LEU 3 H LEU 3 8.248 -1.961 -10.619
20 HA LEU 3 HA LEU 3 10.264 -2.920 -8.926
21 HB2 LEU 3 1HB LEU 3 7.830 -2.889 -8.397
22 HB3 LEU 3 2HB LEU 3 7.605 -4.238 -9.510
23 HG LEU 3 HG LEU 3 9.330 -5.512 -8.158
24 HD11 LEU 3 1HD1 LEU 3 10.481 -3.780 -7.002
25 HD12 LEU 3 2HD1 LEU 3 9.533 -4.603 -5.762
26 HD13 LEU 3 3HD1 LEU 3 8.978 -3.064 -6.420
27 HD21 LEU 3 1HD2 LEU 3 6.866 -4.596 -6.641
28 HD22 LEU 3 2HD2 LEU 3 7.737 -6.112 -6.405
29 HD23 LEU 3 3HD2 LEU 3 6.862 -5.822 -7.909
30 H LEU 4 H LEU 4 8.996 -4.225 -11.946
31 HA LEU 4 HA LEU 4 9.881 -6.872 -11.734
32 HB2 LEU 4 1HB LEU 4 8.373 -5.920 -13.503
33 HB3 LEU 4 2HB LEU 4 9.797 -5.213 -14.263
34 HG LEU 4 HG LEU 4 9.856 -8.139 -13.604
35 HD11 LEU 4 1HD1 LEU 4 8.424 -6.948 -15.998
36 HD12 LEU 4 2HD1 LEU 4 7.669 -7.852 -14.686
37 HD13 LEU 4 3HD1 LEU 4 8.792 -8.659 -15.780
38 HD21 LEU 4 1HD2 LEU 4 11.000 -7.967 -15.982
39 HD22 LEU 4 2HD2 LEU 4 11.874 -7.436 -14.549
40 HD23 LEU 4 3HD2 LEU 4 11.089 -6.250 -15.590
41 H GLU 5 H GLU 5 11.571 -3.950 -12.788
42 HA GLU 5 HA GLU 5 13.917 -5.164 -13.762
43 HB2 GLU 5 1HB GLU 5 13.519 -2.465 -12.452
44 HB3 GLU 5 2HB GLU 5 14.984 -2.957 -13.301
45 HG2 GLU 5 1HG GLU 5 12.212 -2.868 -14.525
46 HG3 GLU 5 2HG GLU 5 13.463 -1.650 -14.763
47 H GLY 6 H GLY 6 12.970 -4.209 -10.487
48 HA2 GLY 6 1HA GLY 6 13.733 -4.993 -8.452
49 HA3 GLY 6 2HA GLY 6 14.770 -6.116 -9.323
50 H GLU 7 H GLU 7 14.893 -2.647 -9.897
51 HA GLU 7 HA GLU 7 17.382 -2.464 -8.315
52 HB2 GLU 7 1HB GLU 7 17.905 -2.841 -10.733
53 HB3 GLU 7 2HB GLU 7 17.044 -1.348 -11.107
54 HG2 GLU 7 1HG GLU 7 18.569 -0.120 -9.570
55 HG3 GLU 7 2HG GLU 7 19.463 -1.610 -9.302
56 H ILE 8 H ILE 8 17.472 -0.701 -7.069
57 HA ILE 8 HA ILE 8 15.563 1.501 -7.603
58 HB ILE 8 HB ILE 8 15.713 1.984 -5.182
59 HG12 ILE 8 1HG1 ILE 8 17.254 -0.623 -5.018
60 HG13 ILE 8 2HG1 ILE 8 18.011 0.968 -4.914
61 HG21 ILE 8 1HG2 ILE 8 13.995 0.414 -6.183
62 HG22 ILE 8 2HG2 ILE 8 14.326 0.149 -4.471
63 HG23 ILE 8 3HG2 ILE 8 15.029 -0.924 -5.682
64 HD11 ILE 8 1HD1 ILE 8 17.520 -0.005 -2.669
65 HD12 ILE 8 2HD1 ILE 8 15.805 -0.008 -3.076
66 HD13 ILE 8 3HD1 ILE 8 16.677 1.519 -2.947
67 HA PRO 9 HA PRO 9 18.906 4.295 -8.249
68 HB2 PRO 9 1HB PRO 9 17.746 6.217 -6.302
69 HB3 PRO 9 2HB PRO 9 18.113 6.432 -8.024
70 HG2 PRO 9 1HG PRO 9 15.612 6.193 -7.139
71 HG3 PRO 9 2HG PRO 9 16.123 5.532 -8.703
72 HD2 PRO 9 1HD PRO 9 15.591 4.088 -6.137
73 HD3 PRO 9 2HD PRO 9 15.294 3.568 -7.811
74 H PHE 10 H PHE 10 20.620 3.180 -7.271
75 HA PHE 10 HA PHE 10 22.312 2.813 -5.764
76 HB2 PHE 10 1HB PHE 10 21.464 5.457 -4.583
77 HB3 PHE 10 2HB PHE 10 23.039 4.696 -4.459
78 HD1 PHE 10 HD1 PHE 10 24.560 4.634 -6.414
79 HD2 PHE 10 HD2 PHE 10 20.783 6.676 -6.546
80 HE1 PHE 10 HE1 PHE 10 25.283 5.840 -8.457
81 HE2 PHE 10 HE2 PHE 10 21.505 7.881 -8.589
82 HZ PHE 10 HZ PHE 10 23.755 7.464 -9.545
83 HA PRO 11 HA PRO 11 19.195 1.261 -2.707
84 HB2 PRO 11 1HB PRO 11 21.111 -1.010 -2.565
85 HB3 PRO 11 2HB PRO 11 19.349 -1.029 -2.767
86 HG2 PRO 11 1HG PRO 11 20.991 -1.583 -4.786
87 HG3 PRO 11 2HG PRO 11 19.467 -0.710 -5.032
88 HD2 PRO 11 1HD PRO 11 22.261 0.367 -4.991
89 HD3 PRO 11 2HD PRO 11 20.873 0.864 -5.985
90 HA PRO 12 HA PRO 12 21.439 2.722 0.857
91 HB2 PRO 12 1HB PRO 12 20.044 0.672 2.502
92 HB3 PRO 12 2HB PRO 12 20.090 2.435 2.691
93 HG2 PRO 12 1HG PRO 12 17.921 1.179 1.797
94 HG3 PRO 12 2HG PRO 12 18.393 2.779 1.194
95 HD2 PRO 12 1HD PRO 12 18.662 0.115 -0.140
96 HD3 PRO 12 2HD PRO 12 18.326 1.709 -0.852
97 H THR 13 H THR 13 20.941 -0.812 1.134
98 HA THR 13 HA THR 13 23.338 -1.305 2.532
99 HB THR 13 HB THR 13 22.937 -3.664 2.012
100 HG1 THR 13 HG1 THR 13 20.841 -2.695 0.372
101 HG21 THR 13 1HG2 THR 13 20.821 -3.852 3.108
102 HG22 THR 13 2HG2 THR 13 20.292 -2.283 2.502
103 HG23 THR 13 3HG2 THR 13 21.561 -2.374 3.723
104 H SER 14 H SER 14 23.000 -0.473 -0.754
105 HA SER 14 HA SER 14 25.080 -2.265 -1.751
106 HB2 SER 14 1HB SER 14 24.624 -1.337 -3.909
107 HB3 SER 14 2HB SER 14 23.062 -1.553 -3.127
108 HG SER 14 HG SER 14 24.523 0.782 -3.660
109 H ILE 15 H ILE 15 24.534 1.213 -1.367
110 HA ILE 15 HA ILE 15 27.210 2.045 -1.777
111 HB ILE 15 HB ILE 15 25.126 3.301 0.028
112 HG12 ILE 15 1HG1 ILE 15 24.224 3.012 -2.229
113 HG13 ILE 15 2HG1 ILE 15 24.580 4.709 -1.936
114 HG21 ILE 15 1HG2 ILE 15 27.412 4.151 0.361
115 HG22 ILE 15 2HG2 ILE 15 26.389 5.372 -0.396
116 HG23 ILE 15 3HG2 ILE 15 27.549 4.468 -1.369
117 HD11 ILE 15 1HD1 ILE 15 25.739 4.673 -3.869
118 HD12 ILE 15 2HD1 ILE 15 25.665 2.916 -3.959
119 HD13 ILE 15 3HD1 ILE 15 26.954 3.696 -3.047
120 H LEU 16 H LEU 16 25.417 0.966 1.088
121 HA LEU 16 HA LEU 16 27.419 1.457 3.018
122 HB2 LEU 16 1HB LEU 16 25.016 0.840 3.451
123 HB3 LEU 16 2HB LEU 16 25.427 -0.821 3.031
124 HG LEU 16 HG LEU 16 27.111 0.592 5.074
125 HD11 LEU 16 1HD1 LEU 16 24.672 0.974 5.658
126 HD12 LEU 16 2HD1 LEU 16 25.592 0.072 6.862
127 HD13 LEU 16 3HD1 LEU 16 24.501 -0.778 5.767
128 HD21 LEU 16 1HD2 LEU 16 26.849 -1.874 6.003
129 HD22 LEU 16 2HD2 LEU 16 27.929 -1.552 4.649
130 HD23 LEU 16 3HD2 LEU 16 26.323 -2.216 4.354
131 H LEU 17 H LEU 17 26.873 -1.262 0.825
132 HA LEU 17 HA LEU 17 28.674 -3.076 2.050
133 HB2 LEU 17 1HB LEU 17 26.909 -3.720 0.410
134 HB3 LEU 17 2HB LEU 17 27.855 -2.946 -0.862
135 HG LEU 17 HG LEU 17 29.787 -4.454 -0.195
136 HD11 LEU 17 1HD1 LEU 17 28.892 -6.602 0.966
137 HD12 LEU 17 2HD1 LEU 17 27.576 -5.569 1.525
138 HD13 LEU 17 3HD1 LEU 17 29.241 -5.197 1.973
139 HD21 LEU 17 1HD2 LEU 17 28.347 -4.896 -2.164
140 HD22 LEU 17 2HD2 LEU 17 27.232 -5.797 -1.137
141 HD23 LEU 17 3HD2 LEU 17 28.869 -6.397 -1.401
142 H LEU 18 H LEU 18 29.040 -0.767 -0.613
143 HA LEU 18 HA LEU 18 31.713 -1.334 -1.267
144 HB2 LEU 18 1HB LEU 18 30.180 0.125 -2.602
145 HB3 LEU 18 2HB LEU 18 30.351 1.370 -1.365
146 HG LEU 18 HG LEU 18 32.907 1.098 -1.755
147 HD11 LEU 18 1HD1 LEU 18 32.048 0.208 -4.493
148 HD12 LEU 18 2HD1 LEU 18 32.339 -0.997 -3.240
149 HD13 LEU 18 3HD1 LEU 18 33.634 0.092 -3.733
150 HD21 LEU 18 1HD2 LEU 18 30.948 2.369 -3.671
151 HD22 LEU 18 2HD2 LEU 18 32.689 2.574 -3.866
152 HD23 LEU 18 3HD2 LEU 18 31.893 3.142 -2.398
153 H LEU 19 H LEU 19 30.301 0.881 1.121
154 HA LEU 19 HA LEU 19 32.717 2.023 2.032
155 HB2 LEU 19 1HB LEU 19 30.140 1.509 3.538
156 HB3 LEU 19 2HB LEU 19 31.449 2.547 4.102
157 HG LEU 19 HG LEU 19 30.000 2.943 1.470
158 HD11 LEU 19 1HD1 LEU 19 28.398 3.348 3.216
159 HD12 LEU 19 2HD1 LEU 19 28.994 4.926 2.701
160 HD13 LEU 19 3HD1 LEU 19 29.591 4.202 4.194
161 HD21 LEU 19 1HD2 LEU 19 32.154 3.953 1.368
162 HD22 LEU 19 2HD2 LEU 19 32.056 4.509 3.040
163 HD23 LEU 19 3HD2 LEU 19 31.057 5.265 1.799
164 H ALA 20 H ALA 20 31.041 -0.956 2.942
165 HA ALA 20 HA ALA 20 32.571 -1.545 5.243
166 HB1 ALA 20 1HB ALA 20 31.520 -3.735 3.495
167 HB2 ALA 20 2HB ALA 20 30.379 -2.641 4.276
168 HB3 ALA 20 3HB ALA 20 31.495 -3.594 5.253
169 H CYS 21 H CYS 21 32.990 -2.483 1.842
170 HA CYS 21 HA CYS 21 35.136 -4.263 2.255
171 HB2 CYS 21 1HB CYS 21 34.402 -2.619 -0.177
172 HB3 CYS 21 2HB CYS 21 35.585 -3.926 -0.171
173 HG CYS 21 HG CYS 21 33.140 -5.111 0.959
174 H ILE 22 H ILE 22 35.096 -0.804 1.405
175 HA ILE 22 HA ILE 22 37.900 -0.586 1.118
176 HB ILE 22 HB ILE 22 37.527 1.866 1.309
177 HG12 ILE 22 1HG1 ILE 22 34.628 1.067 1.720
178 HG13 ILE 22 2HG1 ILE 22 35.661 1.743 2.976
179 HG21 ILE 22 1HG2 ILE 22 37.212 0.531 -0.803
180 HG22 ILE 22 2HG2 ILE 22 36.262 2.016 -0.745
181 HG23 ILE 22 3HG2 ILE 22 35.488 0.462 -0.437
182 HD11 ILE 22 1HD1 ILE 22 36.045 3.728 1.442
183 HD12 ILE 22 2HD1 ILE 22 34.408 3.574 2.078
184 HD13 ILE 22 3HD1 ILE 22 34.760 3.083 0.421
185 H PHE 23 H PHE 23 35.799 -0.176 3.942
186 HA PHE 23 HA PHE 23 37.725 0.973 5.651
187 HB2 PHE 23 1HB PHE 23 35.287 0.881 6.108
188 HB3 PHE 23 2HB PHE 23 35.426 -0.845 6.380
189 HD1 PHE 23 HD1 PHE 23 36.498 -1.720 8.398
190 HD2 PHE 23 HD2 PHE 23 36.142 2.505 7.709
191 HE1 PHE 23 HE1 PHE 23 37.052 -1.286 10.775
192 HE2 PHE 23 HE2 PHE 23 36.697 2.939 10.087
193 HZ PHE 23 HZ PHE 23 37.152 1.043 11.621
194 H LEU 24 H LEU 24 36.780 -2.418 5.136
195 HA LEU 24 HA LEU 24 38.400 -3.471 7.199
196 HB2 LEU 24 1HB LEU 24 37.338 -4.818 4.706
197 HB3 LEU 24 2HB LEU 24 38.003 -5.651 6.110
198 HG LEU 24 HG LEU 24 35.628 -3.770 6.222
199 HD11 LEU 24 1HD1 LEU 24 34.821 -5.626 5.016
200 HD12 LEU 24 2HD1 LEU 24 34.447 -6.043 6.689
201 HD13 LEU 24 3HD1 LEU 24 35.849 -6.759 5.894
202 HD21 LEU 24 1HD2 LEU 24 37.008 -5.591 8.203
203 HD22 LEU 24 2HD2 LEU 24 35.346 -5.052 8.441
204 HD23 LEU 24 3HD2 LEU 24 36.655 -3.871 8.367
205 H ILE 25 H ILE 25 39.002 -3.084 3.706
206 HA ILE 25 HA ILE 25 41.416 -4.582 3.761
207 HB ILE 25 HB ILE 25 40.102 -4.237 1.706
208 HG12 ILE 25 1HG1 ILE 25 42.091 -3.681 0.239
209 HG13 ILE 25 2HG1 ILE 25 42.983 -3.310 1.714
210 HG21 ILE 25 1HG2 ILE 25 40.147 -2.143 0.520
211 HG22 ILE 25 2HG2 ILE 25 41.241 -1.433 1.706
212 HG23 ILE 25 3HG2 ILE 25 39.580 -1.820 2.157
213 HD11 ILE 25 1HD1 ILE 25 41.568 -5.950 1.323
214 HD12 ILE 25 2HD1 ILE 25 42.809 -5.546 2.508
215 HD13 ILE 25 3HD1 ILE 25 43.234 -5.694 0.803
216 H LYS 26 H LYS 26 40.802 -1.065 3.927
217 HA LYS 26 HA LYS 26 43.534 -0.328 3.785
218 HB2 LYS 26 1HB LYS 26 41.218 1.161 5.034
219 HB3 LYS 26 2HB LYS 26 42.789 1.854 4.641
220 HG2 LYS 26 1HG LYS 26 40.950 0.558 2.612
221 HG3 LYS 26 2HG LYS 26 41.044 2.295 2.893
222 HD2 LYS 26 1HD LYS 26 43.520 2.141 2.386
223 HD3 LYS 26 2HD LYS 26 43.241 0.474 1.879
224 HE2 LYS 26 1HE LYS 26 43.038 1.630 -0.141
225 HE3 LYS 26 2HE LYS 26 41.359 1.510 0.388
226 HZ1 LYS 26 1HZ LYS 26 41.408 3.719 0.048
227 HZ2 LYS 26 2HZ LYS 26 43.093 3.833 0.226
228 HZ3 LYS 26 3HZ LYS 26 42.095 3.756 1.598
229 H ILE 27 H ILE 27 41.410 -0.962 6.574
230 HA ILE 27 HA ILE 27 43.354 -0.147 8.485
231 HB ILE 27 HB ILE 27 40.932 -0.199 8.958
232 HG12 ILE 27 1HG1 ILE 27 41.167 -1.300 11.231
233 HG13 ILE 27 2HG1 ILE 27 42.771 -1.830 10.723
234 HG21 ILE 27 1HG2 ILE 27 40.387 -2.317 7.824
235 HG22 ILE 27 2HG2 ILE 27 39.851 -2.336 9.503
236 HG23 ILE 27 3HG2 ILE 27 41.312 -3.206 9.035
237 HD11 ILE 27 1HD1 ILE 27 41.992 1.066 10.476
238 HD12 ILE 27 2HD1 ILE 27 43.602 0.358 10.608
239 HD13 ILE 27 3HD1 ILE 27 42.551 0.425 12.022
240 H LEU 28 H LEU 28 42.555 -3.303 7.078
241 HA LEU 28 HA LEU 28 44.132 -4.861 8.822
242 HB2 LEU 28 1HB LEU 28 42.407 -5.763 7.269
243 HB3 LEU 28 2HB LEU 28 43.483 -5.412 5.917
244 HG LEU 28 HG LEU 28 45.230 -6.847 7.078
245 HD11 LEU 28 1HD1 LEU 28 44.159 -8.536 8.687
246 HD12 LEU 28 2HD1 LEU 28 42.820 -7.396 8.818
247 HD13 LEU 28 3HD1 LEU 28 44.439 -6.916 9.324
248 HD21 LEU 28 1HD2 LEU 28 42.656 -8.299 6.409
249 HD22 LEU 28 2HD2 LEU 28 44.304 -8.898 6.219
250 HD23 LEU 28 3HD2 LEU 28 43.715 -7.596 5.186
251 H ALA 29 H ALA 29 44.877 -3.359 5.685
252 HA ALA 29 HA ALA 29 47.524 -4.327 5.490
253 HB1 ALA 29 1HB ALA 29 47.831 -2.553 3.817
254 HB2 ALA 29 2HB ALA 29 46.321 -1.802 4.334
255 HB3 ALA 29 3HB ALA 29 46.299 -3.394 3.576
256 H ALA 30 H ALA 30 46.164 -1.445 7.020
257 HA ALA 30 HA ALA 30 47.114 0.213 8.297
258 HB1 ALA 30 1HB ALA 30 47.530 -1.930 9.634
259 HB2 ALA 30 2HB ALA 30 48.517 -0.526 10.041
260 HB3 ALA 30 3HB ALA 30 49.194 -1.825 9.059
261 H SER 31 H SER 31 48.257 -0.258 5.492
262 HA SER 31 HA SER 31 51.015 0.195 5.442
263 HB2 SER 31 1HB SER 31 48.959 1.289 3.508
264 HB3 SER 31 2HB SER 31 50.676 1.059 3.194
265 HG SER 31 HG SER 31 50.206 -1.223 3.795
266 H ALA 32 H ALA 32 48.327 2.477 5.796
267 HA ALA 32 HA ALA 32 49.816 4.854 5.524
268 HB1 ALA 32 1HB ALA 32 47.326 4.716 5.490
269 HB2 ALA 32 2HB ALA 32 47.934 5.952 6.591
270 HB3 ALA 32 3HB ALA 32 47.353 4.413 7.227
271 H LEU 33 H LEU 33 49.029 2.894 8.389
272 HA LEU 33 HA LEU 33 50.062 4.656 10.322
273 HB2 LEU 33 1HB LEU 33 48.629 2.676 10.808
274 HB3 LEU 33 2HB LEU 33 50.004 1.633 10.445
275 HG LEU 33 HG LEU 33 51.302 2.907 12.215
276 HD11 LEU 33 1HD1 LEU 33 48.531 4.035 12.658
277 HD12 LEU 33 2HD1 LEU 33 50.036 4.922 12.418
278 HD13 LEU 33 3HD1 LEU 33 49.763 4.038 13.920
279 HD21 LEU 33 1HD2 LEU 33 48.787 1.467 13.116
280 HD22 LEU 33 2HD2 LEU 33 50.252 1.684 14.074
281 HD23 LEU 33 3HD2 LEU 33 50.287 0.681 12.624
282 H TRP 34 H TRP 34 51.607 2.070 8.459
283 HA TRP 34 HA TRP 34 54.103 2.141 9.785
284 HB2 TRP 34 1HB TRP 34 53.349 1.286 6.994
285 HB3 TRP 34 2HB TRP 34 54.953 1.078 7.669
286 HD1 TRP 34 HD1 TRP 34 51.644 -0.546 7.419
287 HE1 TRP 34 HE1 TRP 34 51.555 -2.645 8.911
288 HE3 TRP 34 HE3 TRP 34 55.884 0.153 10.176
289 HZ2 TRP 34 HZ2 TRP 34 53.083 -3.869 11.002
290 HZ3 TRP 34 HZ3 TRP 34 56.543 -1.489 11.907
291 HH2 TRP 34 HH2 TRP 34 55.152 -3.497 12.325
292 H ALA 35 H ALA 35 52.941 3.816 6.874
293 HA ALA 35 HA ALA 35 55.379 5.032 6.171
294 HB1 ALA 35 1HB ALA 35 52.617 6.168 5.705
295 HB2 ALA 35 2HB ALA 35 53.325 4.879 4.731
296 HB3 ALA 35 3HB ALA 35 54.074 6.476 4.760
297 H ALA 36 H ALA 36 52.782 6.097 8.324
298 HA ALA 36 HA ALA 36 53.680 8.711 8.801
299 HB1 ALA 36 1HB ALA 36 51.516 8.214 9.566
300 HB2 ALA 36 2HB ALA 36 52.461 8.363 11.048
301 HB3 ALA 36 3HB ALA 36 52.052 6.766 10.419
302 H ALA 37 H ALA 37 54.699 5.639 10.193
303 HA ALA 37 HA ALA 37 56.089 6.565 12.438
304 HB1 ALA 37 1HB ALA 37 57.221 4.471 12.436
305 HB2 ALA 37 2HB ALA 37 57.005 4.276 10.696
306 HB3 ALA 37 3HB ALA 37 55.616 4.155 11.776
307 H TRP 38 H TRP 38 57.074 6.420 9.042
308 HA TRP 38 HA TRP 38 59.802 6.923 9.303
309 HB2 TRP 38 1HB TRP 38 58.625 6.382 7.185
310 HB3 TRP 38 2HB TRP 38 57.953 8.001 7.174
311 HD1 TRP 38 HD1 TRP 38 59.343 9.822 6.050
312 HE1 TRP 38 HE1 TRP 38 61.726 9.962 5.081
313 HE3 TRP 38 HE3 TRP 38 61.199 5.334 7.624
314 HZ2 TRP 38 HZ2 TRP 38 64.110 8.378 4.986
315 HZ3 TRP 38 HZ3 TRP 38 63.522 4.675 7.083
316 HH2 TRP 38 HH2 TRP 38 64.980 6.187 5.768
317 H HIS 39 H HIS 39 57.073 9.169 9.426
318 HA HIS 39 HA HIS 39 58.943 11.408 9.883
319 HB2 HIS 39 1HB HIS 39 56.005 11.373 9.189
320 HB3 HIS 39 2HB HIS 39 56.926 12.826 9.527
321 HD1 HIS 39 HD1 HIS 39 56.264 10.275 6.901
322 HD2 HIS 39 HD2 HIS 39 58.802 13.536 7.452
323 HE1 HIS 39 HE1 HIS 39 57.247 10.808 4.630
324 H GLY 40 H GLY 40 58.920 12.556 11.765
325 HA2 GLY 40 1HA GLY 40 57.018 12.848 13.687
326 HA3 GLY 40 2HA GLY 40 57.735 11.286 14.073
327 H GLN 41 H GLN 41 58.705 14.628 13.292
328 HA GLN 41 HA GLN 41 60.359 15.972 14.134
329 HB2 GLN 41 1HB GLN 41 60.011 14.157 16.534
330 HB3 GLN 41 2HB GLN 41 60.905 15.678 16.538
331 HG2 GLN 41 1HG GLN 41 58.890 16.905 15.906
332 HG3 GLN 41 2HG GLN 41 57.980 15.401 15.793
333 HE21 GLN 41 1HE2 GLN 41 57.188 17.502 17.572
334 HE22 GLN 41 2HE2 GLN 41 57.392 16.955 19.166
335 H LYS 42 H LYS 42 61.216 13.977 12.427
336 HA LYS 42 HA LYS 42 63.349 12.413 13.436
337 HB2 LYS 42 1HB LYS 42 64.023 12.182 11.075
338 HB3 LYS 42 2HB LYS 42 62.291 11.927 11.281
339 HG2 LYS 42 1HG LYS 42 62.058 14.450 10.737
340 HG3 LYS 42 2HG LYS 42 63.709 14.328 10.131
341 HD2 LYS 42 1HD LYS 42 61.576 12.391 9.241
342 HD3 LYS 42 2HD LYS 42 61.789 13.949 8.440
343 HE2 LYS 42 1HE LYS 42 64.211 13.370 8.103
344 HE3 LYS 42 2HE LYS 42 63.864 11.761 8.736
345 HZ1 LYS 42 1HZ LYS 42 63.281 12.874 6.157
346 HZ2 LYS 42 2HZ LYS 42 61.930 12.136 6.876
347 HZ3 LYS 42 3HZ LYS 42 63.361 11.251 6.642
348 HA PRO 43 HA PRO 43 66.454 15.555 13.751
349 HB2 PRO 43 1HB PRO 43 68.745 14.117 13.671
350 HB3 PRO 43 2HB PRO 43 67.619 14.023 15.040
351 HG2 PRO 43 1HG PRO 43 68.058 12.114 12.821
352 HG3 PRO 43 2HG PRO 43 67.636 11.808 14.513
353 HD2 PRO 43 1HD PRO 43 65.835 11.783 12.375
354 HD3 PRO 43 2HD PRO 43 65.397 11.912 14.091
355 H GLY 44 H GLY 44 67.414 13.139 11.289
356 HA2 GLY 44 1HA GLY 44 67.388 14.914 9.107
357 HA3 GLY 44 2HA GLY 44 69.027 14.853 9.750
358 H THR 45 H THR 45 69.151 14.001 7.381
359 HA THR 45 HA THR 45 68.949 11.043 7.460
360 HB THR 45 HB THR 45 68.739 12.812 5.012
361 HG1 THR 45 HG1 THR 45 66.823 13.075 5.886
362 HG21 THR 45 1HG2 THR 45 68.534 9.840 5.513
363 HG22 THR 45 2HG2 THR 45 69.585 10.684 4.375
364 HG23 THR 45 3HG2 THR 45 67.850 10.595 4.073
365 H HIS 46 H HIS 46 70.729 9.898 6.860
366 HA HIS 46 HA HIS 46 73.241 11.332 6.746
367 HB2 HIS 46 1HB HIS 46 72.586 8.388 6.611
368 HB3 HIS 46 2HB HIS 46 74.214 9.038 6.628
369 HD1 HIS 46 HD1 HIS 46 73.353 7.147 8.862
370 HD2 HIS 46 HD2 HIS 46 72.960 11.289 9.118
371 HE1 HIS 46 HE1 HIS 46 73.250 7.704 11.329
Start of MODEL 2
1 H ARG 1 3H ARG 1 7.188 0.496 -17.043
2 HA ARG 1 HA ARG 1 6.883 -1.176 -14.935
3 HB2 ARG 1 1HB ARG 1 7.648 -2.886 -16.504
4 HB3 ARG 1 2HB ARG 1 6.679 -1.685 -17.352
5 HG2 ARG 1 1HG ARG 1 8.825 -0.533 -18.012
6 HG3 ARG 1 2HG ARG 1 9.702 -1.903 -17.328
7 HD2 ARG 1 1HD ARG 1 8.427 -3.420 -18.853
8 HD3 ARG 1 2HD ARG 1 7.691 -2.001 -19.592
9 HE ARG 1 HE ARG 1 10.577 -1.917 -19.562
10 HH11 ARG 1 1HH1 ARG 1 7.791 -3.056 -21.369
11 HH12 ARG 1 2HH1 ARG 1 8.663 -3.122 -22.865
12 HH21 ARG 1 1HH2 ARG 1 11.647 -2.024 -21.516
13 HH22 ARG 1 2HH2 ARG 1 10.818 -2.545 -22.946
14 H SER 2 H SER 2 8.811 0.688 -14.000
15 HA SER 2 HA SER 2 11.458 -0.225 -14.023
16 HB2 SER 2 1HB SER 2 11.777 1.139 -12.048
17 HB3 SER 2 2HB SER 2 10.707 1.982 -13.162
18 HG SER 2 HG SER 2 9.006 1.520 -11.880
19 H LEU 3 H LEU 3 8.692 -1.402 -12.210
20 HA LEU 3 HA LEU 3 9.980 -2.718 -10.108
21 HB2 LEU 3 1HB LEU 3 7.515 -2.444 -10.338
22 HB3 LEU 3 2HB LEU 3 7.529 -3.670 -11.605
23 HG LEU 3 HG LEU 3 8.620 -5.238 -9.941
24 HD11 LEU 3 1HD1 LEU 3 8.156 -4.544 -7.513
25 HD12 LEU 3 2HD1 LEU 3 7.966 -2.904 -8.134
26 HD13 LEU 3 3HD1 LEU 3 9.508 -3.743 -8.314
27 HD21 LEU 3 1HD2 LEU 3 6.439 -5.511 -8.605
28 HD22 LEU 3 2HD2 LEU 3 6.299 -5.569 -10.362
29 HD23 LEU 3 3HD2 LEU 3 5.855 -4.101 -9.490
30 H LEU 4 H LEU 4 9.466 -3.729 -13.462
31 HA LEU 4 HA LEU 4 10.213 -6.425 -13.206
32 HB2 LEU 4 1HB LEU 4 9.162 -5.412 -15.228
33 HB3 LEU 4 2HB LEU 4 10.693 -4.612 -15.583
34 HG LEU 4 HG LEU 4 11.777 -6.908 -15.548
35 HD11 LEU 4 1HD1 LEU 4 8.860 -7.671 -15.357
36 HD12 LEU 4 2HD1 LEU 4 10.202 -8.230 -14.360
37 HD13 LEU 4 3HD1 LEU 4 10.064 -8.768 -16.035
38 HD21 LEU 4 1HD2 LEU 4 9.609 -6.290 -17.577
39 HD22 LEU 4 2HD2 LEU 4 10.850 -7.522 -17.808
40 HD23 LEU 4 3HD2 LEU 4 11.309 -5.825 -17.667
41 H GLU 5 H GLU 5 12.155 -3.508 -13.728
42 HA GLU 5 HA GLU 5 14.636 -4.814 -14.136
43 HB2 GLU 5 1HB GLU 5 14.026 -2.056 -13.050
44 HB3 GLU 5 2HB GLU 5 15.626 -2.613 -13.541
45 HG2 GLU 5 1HG GLU 5 14.732 -3.084 -15.814
46 HG3 GLU 5 2HG GLU 5 13.176 -2.436 -15.315
47 H GLY 6 H GLY 6 12.980 -3.683 -11.218
48 HA2 GLY 6 1HA GLY 6 13.264 -4.293 -9.013
49 HA3 GLY 6 2HA GLY 6 14.372 -5.546 -9.557
50 H GLU 7 H GLU 7 14.854 -2.146 -10.327
51 HA GLU 7 HA GLU 7 17.197 -2.118 -8.509
52 HB2 GLU 7 1HB GLU 7 17.737 -2.128 -10.954
53 HB3 GLU 7 2HB GLU 7 16.872 -0.598 -11.105
54 HG2 GLU 7 1HG GLU 7 18.380 0.388 -9.385
55 HG3 GLU 7 2HG GLU 7 19.279 -1.122 -9.341
56 H ILE 8 H ILE 8 17.424 -0.442 -7.138
57 HA ILE 8 HA ILE 8 15.384 1.693 -7.230
58 HB ILE 8 HB ILE 8 15.302 0.162 -5.303
59 HG12 ILE 8 1HG1 ILE 8 14.659 2.634 -5.230
60 HG13 ILE 8 2HG1 ILE 8 14.862 1.800 -3.705
61 HG21 ILE 8 1HG2 ILE 8 17.626 -0.441 -5.109
62 HG22 ILE 8 2HG2 ILE 8 17.074 0.251 -3.584
63 HG23 ILE 8 3HG2 ILE 8 18.060 1.215 -4.682
64 HD11 ILE 8 1HD1 ILE 8 17.369 3.060 -4.520
65 HD12 ILE 8 2HD1 ILE 8 16.434 3.267 -3.049
66 HD13 ILE 8 3HD1 ILE 8 16.047 4.221 -4.473
67 HA PRO 9 HA PRO 9 18.731 4.494 -8.280
68 HB2 PRO 9 1HB PRO 9 17.473 6.366 -6.316
69 HB3 PRO 9 2HB PRO 9 17.982 6.662 -7.991
70 HG2 PRO 9 1HG PRO 9 15.422 6.355 -7.368
71 HG3 PRO 9 2HG PRO 9 16.090 5.714 -8.880
72 HD2 PRO 9 1HD PRO 9 15.274 4.245 -6.423
73 HD3 PRO 9 2HD PRO 9 15.265 3.708 -8.115
74 H PHE 10 H PHE 10 20.511 3.496 -7.338
75 HA PHE 10 HA PHE 10 22.240 3.196 -5.856
76 HB2 PHE 10 1HB PHE 10 21.178 5.849 -4.890
77 HB3 PHE 10 2HB PHE 10 22.653 5.118 -4.287
78 HD1 PHE 10 HD1 PHE 10 24.656 4.987 -5.685
79 HD2 PHE 10 HD2 PHE 10 21.028 6.766 -7.144
80 HE1 PHE 10 HE1 PHE 10 25.910 5.996 -7.571
81 HE2 PHE 10 HE2 PHE 10 22.282 7.776 -9.031
82 HZ PHE 10 HZ PHE 10 24.723 7.391 -9.244
83 HA PRO 11 HA PRO 11 19.275 1.411 -2.801
84 HB2 PRO 11 1HB PRO 11 21.262 -0.786 -2.676
85 HB3 PRO 11 2HB PRO 11 19.513 -0.856 -2.955
86 HG2 PRO 11 1HG PRO 11 21.294 -1.291 -4.903
87 HG3 PRO 11 2HG PRO 11 19.721 -0.532 -5.203
88 HD2 PRO 11 1HD PRO 11 22.423 0.745 -5.047
89 HD3 PRO 11 2HD PRO 11 21.037 1.155 -6.083
90 HA PRO 12 HA PRO 12 21.620 2.991 0.685
91 HB2 PRO 12 1HB PRO 12 20.108 1.136 2.444
92 HB3 PRO 12 2HB PRO 12 20.232 2.904 2.504
93 HG2 PRO 12 1HG PRO 12 18.015 1.665 1.685
94 HG3 PRO 12 2HG PRO 12 18.545 3.211 0.996
95 HD2 PRO 12 1HD PRO 12 18.724 0.471 -0.187
96 HD3 PRO 12 2HD PRO 12 18.441 2.034 -0.985
97 H THR 13 H THR 13 20.868 -0.457 1.258
98 HA THR 13 HA THR 13 23.237 -1.058 2.624
99 HB THR 13 HB THR 13 21.276 -2.503 2.703
100 HG1 THR 13 HG1 THR 13 22.458 -4.268 2.835
101 HG21 THR 13 1HG2 THR 13 20.662 -2.148 0.284
102 HG22 THR 13 2HG2 THR 13 20.587 -3.831 0.808
103 HG23 THR 13 3HG2 THR 13 21.957 -3.266 -0.148
104 H SER 14 H SER 14 22.935 -0.368 -0.711
105 HA SER 14 HA SER 14 24.860 -2.361 -1.620
106 HB2 SER 14 1HB SER 14 23.043 -1.801 -3.135
107 HB3 SER 14 2HB SER 14 23.458 -0.092 -3.054
108 HG SER 14 HG SER 14 24.899 -2.241 -4.202
109 H ILE 15 H ILE 15 24.607 1.176 -1.551
110 HA ILE 15 HA ILE 15 27.353 1.674 -2.075
111 HB ILE 15 HB ILE 15 25.600 3.388 -2.356
112 HG12 ILE 15 1HG1 ILE 15 27.561 4.296 -0.243
113 HG13 ILE 15 2HG1 ILE 15 28.069 3.897 -1.886
114 HG21 ILE 15 1HG2 ILE 15 24.678 4.530 -0.388
115 HG22 ILE 15 2HG2 ILE 15 25.536 3.415 0.676
116 HG23 ILE 15 3HG2 ILE 15 24.244 2.821 -0.369
117 HD11 ILE 15 1HD1 ILE 15 26.155 5.512 -2.614
118 HD12 ILE 15 2HD1 ILE 15 27.665 6.205 -2.022
119 HD13 ILE 15 3HD1 ILE 15 26.260 6.118 -0.962
120 H LEU 16 H LEU 16 25.503 1.099 0.887
121 HA LEU 16 HA LEU 16 27.566 1.727 2.732
122 HB2 LEU 16 1HB LEU 16 25.171 1.394 3.342
123 HB3 LEU 16 2HB LEU 16 25.369 -0.333 3.039
124 HG LEU 16 HG LEU 16 27.272 -0.302 4.719
125 HD11 LEU 16 1HD1 LEU 16 26.186 2.495 5.056
126 HD12 LEU 16 2HD1 LEU 16 27.863 1.989 4.852
127 HD13 LEU 16 3HD1 LEU 16 27.023 1.669 6.370
128 HD21 LEU 16 1HD2 LEU 16 24.400 0.272 5.415
129 HD22 LEU 16 2HD2 LEU 16 25.591 0.046 6.696
130 HD23 LEU 16 3HD2 LEU 16 25.286 -1.247 5.537
131 H LEU 17 H LEU 17 26.782 -1.208 0.914
132 HA LEU 17 HA LEU 17 28.477 -2.970 2.356
133 HB2 LEU 17 1HB LEU 17 26.619 -3.620 0.767
134 HB3 LEU 17 2HB LEU 17 27.707 -3.213 -0.559
135 HG LEU 17 HG LEU 17 28.683 -5.062 1.594
136 HD11 LEU 17 1HD1 LEU 17 26.502 -5.995 0.995
137 HD12 LEU 17 2HD1 LEU 17 27.781 -6.984 0.292
138 HD13 LEU 17 3HD1 LEU 17 26.886 -5.850 -0.720
139 HD21 LEU 17 1HD2 LEU 17 29.690 -6.065 -0.614
140 HD22 LEU 17 2HD2 LEU 17 30.365 -4.572 0.037
141 HD23 LEU 17 3HD2 LEU 17 29.233 -4.511 -1.314
142 H LEU 18 H LEU 18 28.952 -1.081 -0.606
143 HA LEU 18 HA LEU 18 31.585 -1.900 -1.168
144 HB2 LEU 18 1HB LEU 18 30.302 0.796 -1.691
145 HB3 LEU 18 2HB LEU 18 31.755 0.174 -2.474
146 HG LEU 18 HG LEU 18 29.033 -1.156 -2.603
147 HD11 LEU 18 1HD1 LEU 18 30.521 0.600 -4.576
148 HD12 LEU 18 2HD1 LEU 18 28.952 0.925 -3.837
149 HD13 LEU 18 3HD1 LEU 18 29.123 -0.388 -5.003
150 HD21 LEU 18 1HD2 LEU 18 30.668 -2.833 -2.938
151 HD22 LEU 18 2HD2 LEU 18 31.743 -1.734 -3.801
152 HD23 LEU 18 3HD2 LEU 18 30.266 -2.311 -4.574
153 H LEU 19 H LEU 19 30.324 0.736 0.851
154 HA LEU 19 HA LEU 19 32.777 1.884 1.593
155 HB2 LEU 19 1HB LEU 19 30.539 2.864 2.078
156 HB3 LEU 19 2HB LEU 19 30.293 1.621 3.305
157 HG LEU 19 HG LEU 19 32.441 2.414 4.395
158 HD11 LEU 19 1HD1 LEU 19 33.012 4.831 3.762
159 HD12 LEU 19 2HD1 LEU 19 32.080 4.556 2.290
160 HD13 LEU 19 3HD1 LEU 19 33.517 3.587 2.619
161 HD21 LEU 19 1HD2 LEU 19 29.967 4.113 4.136
162 HD22 LEU 19 2HD2 LEU 19 31.302 4.642 5.160
163 HD23 LEU 19 3HD2 LEU 19 30.486 3.115 5.495
164 H ALA 20 H ALA 20 31.015 -0.888 2.912
165 HA ALA 20 HA ALA 20 32.568 -1.247 5.240
166 HB1 ALA 20 1HB ALA 20 30.372 -2.348 4.804
167 HB2 ALA 20 2HB ALA 20 31.622 -3.481 5.322
168 HB3 ALA 20 3HB ALA 20 31.166 -3.387 3.621
169 H CYS 21 H CYS 21 32.886 -2.618 1.977
170 HA CYS 21 HA CYS 21 35.005 -4.383 2.527
171 HB2 CYS 21 1HB CYS 21 34.304 -2.922 -0.032
172 HB3 CYS 21 2HB CYS 21 35.465 -4.246 0.079
173 HG CYS 21 HG CYS 21 32.460 -4.647 0.865
174 H ILE 22 H ILE 22 35.022 -1.013 1.412
175 HA ILE 22 HA ILE 22 37.798 -0.760 1.049
176 HB ILE 22 HB ILE 22 35.810 1.376 1.872
177 HG12 ILE 22 1HG1 ILE 22 36.802 0.598 -0.886
178 HG13 ILE 22 2HG1 ILE 22 35.257 0.076 -0.217
179 HG21 ILE 22 1HG2 ILE 22 38.485 1.615 0.456
180 HG22 ILE 22 2HG2 ILE 22 38.215 2.009 2.153
181 HG23 ILE 22 3HG2 ILE 22 37.409 2.943 0.892
182 HD11 ILE 22 1HD1 ILE 22 34.833 2.037 -1.556
183 HD12 ILE 22 2HD1 ILE 22 36.142 2.919 -0.770
184 HD13 ILE 22 3HD1 ILE 22 34.685 2.511 0.135
185 H PHE 23 H PHE 23 35.770 -0.233 3.909
186 HA PHE 23 HA PHE 23 37.741 0.856 5.589
187 HB2 PHE 23 1HB PHE 23 35.314 0.822 6.090
188 HB3 PHE 23 2HB PHE 23 35.414 -0.907 6.364
189 HD1 PHE 23 HD1 PHE 23 36.495 -1.805 8.366
190 HD2 PHE 23 HD2 PHE 23 36.242 2.427 7.672
191 HE1 PHE 23 HE1 PHE 23 37.108 -1.380 10.732
192 HE2 PHE 23 HE2 PHE 23 36.855 2.852 10.037
193 HZ PHE 23 HZ PHE 23 37.288 0.949 11.568
194 H LEU 24 H LEU 24 36.789 -2.513 5.012
195 HA LEU 24 HA LEU 24 38.354 -3.708 7.010
196 HB2 LEU 24 1HB LEU 24 37.544 -4.795 4.301
197 HB3 LEU 24 2HB LEU 24 38.206 -5.763 5.618
198 HG LEU 24 HG LEU 24 35.699 -4.079 5.865
199 HD11 LEU 24 1HD1 LEU 24 35.461 -5.955 4.220
200 HD12 LEU 24 2HD1 LEU 24 34.453 -6.163 5.652
201 HD13 LEU 24 3HD1 LEU 24 35.951 -7.079 5.488
202 HD21 LEU 24 1HD2 LEU 24 35.428 -5.762 7.830
203 HD22 LEU 24 2HD2 LEU 24 36.576 -4.438 8.027
204 HD23 LEU 24 3HD2 LEU 24 37.155 -6.052 7.620
205 H ILE 25 H ILE 25 39.124 -2.909 3.646
206 HA ILE 25 HA ILE 25 41.698 -4.071 3.603
207 HB ILE 25 HB ILE 25 40.719 -1.675 2.036
208 HG12 ILE 25 1HG1 ILE 25 39.206 -3.570 1.742
209 HG13 ILE 25 2HG1 ILE 25 40.161 -3.337 0.284
210 HG21 ILE 25 1HG2 ILE 25 43.047 -3.567 1.725
211 HG22 ILE 25 2HG2 ILE 25 43.058 -1.804 1.731
212 HG23 ILE 25 3HG2 ILE 25 42.395 -2.676 0.350
213 HD11 ILE 25 1HD1 ILE 25 40.024 -5.645 2.068
214 HD12 ILE 25 2HD1 ILE 25 41.688 -5.135 1.794
215 HD13 ILE 25 3HD1 ILE 25 40.652 -5.537 0.426
216 H LYS 26 H LYS 26 40.623 -0.792 4.450
217 HA LYS 26 HA LYS 26 43.157 0.401 4.613
218 HB2 LYS 26 1HB LYS 26 40.602 1.028 6.109
219 HB3 LYS 26 2HB LYS 26 42.030 2.064 6.104
220 HG2 LYS 26 1HG LYS 26 41.893 2.340 3.697
221 HG3 LYS 26 2HG LYS 26 40.574 1.175 3.600
222 HD2 LYS 26 1HD LYS 26 39.592 3.374 3.522
223 HD3 LYS 26 2HD LYS 26 39.234 2.694 5.109
224 HE2 LYS 26 1HE LYS 26 40.005 5.050 5.263
225 HE3 LYS 26 2HE LYS 26 41.095 3.944 6.097
226 HZ1 LYS 26 1HZ LYS 26 41.730 4.327 3.316
227 HZ2 LYS 26 2HZ LYS 26 42.742 4.386 4.681
228 HZ3 LYS 26 3HZ LYS 26 41.836 5.752 4.232
229 H ILE 27 H ILE 27 41.266 -1.335 7.049
230 HA ILE 27 HA ILE 27 43.063 -0.860 9.204
231 HB ILE 27 HB ILE 27 41.127 -3.158 8.849
232 HG12 ILE 27 1HG1 ILE 27 39.966 -1.020 8.613
233 HG13 ILE 27 2HG1 ILE 27 39.567 -1.748 10.161
234 HG21 ILE 27 1HG2 ILE 27 41.127 -3.102 11.361
235 HG22 ILE 27 2HG2 ILE 27 42.466 -1.957 11.286
236 HG23 ILE 27 3HG2 ILE 27 42.667 -3.593 10.659
237 HD11 ILE 27 1HD1 ILE 27 40.125 0.236 11.078
238 HD12 ILE 27 2HD1 ILE 27 40.876 0.797 9.588
239 HD13 ILE 27 3HD1 ILE 27 41.805 -0.166 10.734
240 H LEU 28 H LEU 28 42.675 -3.640 7.009
241 HA LEU 28 HA LEU 28 44.583 -5.311 8.197
242 HB2 LEU 28 1HB LEU 28 42.887 -6.025 6.526
243 HB3 LEU 28 2HB LEU 28 43.817 -5.203 5.273
244 HG LEU 28 HG LEU 28 45.801 -6.622 5.940
245 HD11 LEU 28 1HD1 LEU 28 45.062 -8.783 7.149
246 HD12 LEU 28 2HD1 LEU 28 43.654 -7.855 7.667
247 HD13 LEU 28 3HD1 LEU 28 45.272 -7.335 8.135
248 HD21 LEU 28 1HD2 LEU 28 44.660 -8.790 5.000
249 HD22 LEU 28 2HD2 LEU 28 44.749 -7.356 3.979
250 HD23 LEU 28 3HD2 LEU 28 43.248 -7.750 4.815
251 H ALA 29 H ALA 29 44.961 -2.714 5.864
252 HA ALA 29 HA ALA 29 47.340 -3.218 4.655
253 HB1 ALA 29 1HB ALA 29 46.148 -1.243 4.082
254 HB2 ALA 29 2HB ALA 29 47.710 -0.711 4.706
255 HB3 ALA 29 3HB ALA 29 46.272 -0.608 5.723
256 H ALA 30 H ALA 30 46.938 -2.351 8.039
257 HA ALA 30 HA ALA 30 49.589 -3.216 8.645
258 HB1 ALA 30 1HB ALA 30 50.015 -0.936 7.662
259 HB2 ALA 30 2HB ALA 30 50.593 -1.145 9.315
260 HB3 ALA 30 3HB ALA 30 49.101 -0.257 9.008
261 H SER 31 H SER 31 46.751 -1.369 9.675
262 HA SER 31 HA SER 31 47.235 -1.256 12.413
263 HB2 SER 31 1HB SER 31 45.371 -0.103 11.211
264 HB3 SER 31 2HB SER 31 44.541 -1.651 11.097
265 HG SER 31 HG SER 31 43.789 -0.806 12.951
266 H ALA 32 H ALA 32 45.786 -3.873 10.506
267 HA ALA 32 HA ALA 32 44.885 -5.418 12.693
268 HB1 ALA 32 1HB ALA 32 45.730 -6.384 9.953
269 HB2 ALA 32 2HB ALA 32 44.137 -5.738 10.347
270 HB3 ALA 32 3HB ALA 32 44.689 -7.238 11.092
271 H LEU 33 H LEU 33 47.902 -5.586 10.791
272 HA LEU 33 HA LEU 33 48.920 -7.898 12.036
273 HB2 LEU 33 1HB LEU 33 50.453 -5.608 10.782
274 HB3 LEU 33 2HB LEU 33 51.083 -7.223 11.102
275 HG LEU 33 HG LEU 33 48.715 -6.632 9.302
276 HD11 LEU 33 1HD1 LEU 33 51.617 -7.253 8.678
277 HD12 LEU 33 2HD1 LEU 33 50.743 -5.773 8.279
278 HD13 LEU 33 3HD1 LEU 33 50.320 -7.290 7.482
279 HD21 LEU 33 1HD2 LEU 33 49.338 -9.047 8.571
280 HD22 LEU 33 2HD2 LEU 33 48.473 -8.847 10.095
281 HD23 LEU 33 3HD2 LEU 33 50.213 -9.127 10.100
282 H TRP 34 H TRP 34 49.240 -4.469 12.860
283 HA TRP 34 HA TRP 34 51.240 -4.816 14.839
284 HB2 TRP 34 1HB TRP 34 49.209 -2.640 14.381
285 HB3 TRP 34 2HB TRP 34 50.421 -2.564 15.645
286 HD1 TRP 34 HD1 TRP 34 49.844 -1.609 12.169
287 HE1 TRP 34 HE1 TRP 34 52.046 -0.941 11.010
288 HE3 TRP 34 HE3 TRP 34 53.204 -3.401 15.569
289 HZ2 TRP 34 HZ2 TRP 34 54.868 -1.143 11.465
290 HZ3 TRP 34 HZ3 TRP 34 55.637 -3.151 15.184
291 HH2 TRP 34 HH2 TRP 34 56.474 -2.027 13.140
292 H ALA 35 H ALA 35 47.692 -4.584 15.081
293 HA ALA 35 HA ALA 35 47.601 -4.629 17.907
294 HB1 ALA 35 1HB ALA 35 45.762 -3.953 16.247
295 HB2 ALA 35 2HB ALA 35 45.267 -4.850 17.683
296 HB3 ALA 35 3HB ALA 35 45.408 -5.678 16.132
297 H ALA 36 H ALA 36 47.287 -7.227 15.500
298 HA ALA 36 HA ALA 36 46.666 -9.278 17.343
299 HB1 ALA 36 1HB ALA 36 47.739 -9.255 14.534
300 HB2 ALA 36 2HB ALA 36 46.145 -9.748 15.106
301 HB3 ALA 36 3HB ALA 36 47.551 -10.765 15.425
302 H ALA 37 H ALA 37 49.742 -8.017 16.148
303 HA ALA 37 HA ALA 37 51.320 -10.186 17.145
304 HB1 ALA 37 1HB ALA 37 52.421 -7.434 16.679
305 HB2 ALA 37 2HB ALA 37 51.878 -8.410 15.313
306 HB3 ALA 37 3HB ALA 37 53.165 -9.001 16.363
307 H TRP 38 H TRP 38 50.996 -6.797 18.243
308 HA TRP 38 HA TRP 38 52.570 -7.104 20.552
309 HB2 TRP 38 1HB TRP 38 51.838 -4.947 19.450
310 HB3 TRP 38 2HB TRP 38 50.285 -5.166 20.236
311 HD1 TRP 38 HD1 TRP 38 50.069 -4.362 22.663
312 HE1 TRP 38 HE1 TRP 38 51.697 -3.360 24.392
313 HE3 TRP 38 HE3 TRP 38 54.497 -5.094 20.229
314 HZ2 TRP 38 HZ2 TRP 38 54.512 -2.926 24.702
315 HZ3 TRP 38 HZ3 TRP 38 56.631 -4.380 21.259
316 HH2 TRP 38 HH2 TRP 38 56.647 -3.300 23.489
317 H HIS 39 H HIS 39 49.083 -7.476 20.052
318 HA HIS 39 HA HIS 39 48.830 -8.432 22.848
319 HB2 HIS 39 1HB HIS 39 46.749 -7.246 21.010
320 HB3 HIS 39 2HB HIS 39 46.431 -7.879 22.613
321 HD1 HIS 39 HD1 HIS 39 47.961 -6.597 24.567
322 HD2 HIS 39 HD2 HIS 39 47.250 -4.550 21.005
323 HE1 HIS 39 HE1 HIS 39 48.375 -4.147 25.054
324 H GLY 40 H GLY 40 48.104 -10.450 23.212
325 HA2 GLY 40 1HA GLY 40 47.782 -12.223 20.932
326 HA3 GLY 40 2HA GLY 40 47.867 -12.697 22.620
327 H GLN 41 H GLN 41 45.591 -10.293 22.579
328 HA GLN 41 HA GLN 41 43.393 -12.248 22.230
329 HB2 GLN 41 1HB GLN 41 43.435 -9.723 23.901
330 HB3 GLN 41 2HB GLN 41 42.126 -10.901 23.816
331 HG2 GLN 41 1HG GLN 41 44.929 -11.431 24.846
332 HG3 GLN 41 2HG GLN 41 43.482 -11.263 25.834
333 HE21 GLN 41 1HE2 GLN 41 45.472 -13.622 24.895
334 HE22 GLN 41 2HE2 GLN 41 44.375 -14.892 24.639
335 H LYS 42 H LYS 42 41.558 -11.651 21.092
336 HA LYS 42 HA LYS 42 41.939 -9.734 18.999
337 HB2 LYS 42 1HB LYS 42 39.476 -11.283 19.838
338 HB3 LYS 42 2HB LYS 42 39.632 -10.354 18.346
339 HG2 LYS 42 1HG LYS 42 41.529 -11.763 17.654
340 HG3 LYS 42 2HG LYS 42 41.392 -12.690 19.149
341 HD2 LYS 42 1HD LYS 42 39.378 -13.683 18.510
342 HD3 LYS 42 2HD LYS 42 38.996 -12.401 17.358
343 HE2 LYS 42 1HE LYS 42 40.844 -13.162 15.903
344 HE3 LYS 42 2HE LYS 42 41.205 -14.456 17.045
345 HZ1 LYS 42 1HZ LYS 42 39.010 -15.359 16.696
346 HZ2 LYS 42 2HZ LYS 42 39.811 -15.210 15.206
347 HZ3 LYS 42 3HZ LYS 42 38.612 -14.089 15.644
348 HA PRO 43 HA PRO 43 40.050 -6.322 21.108
349 HB2 PRO 43 1HB PRO 43 39.540 -4.637 19.059
350 HB3 PRO 43 2HB PRO 43 41.196 -5.041 19.551
351 HG2 PRO 43 1HG PRO 43 39.654 -5.947 17.208
352 HG3 PRO 43 2HG PRO 43 41.399 -5.727 17.402
353 HD2 PRO 43 1HD PRO 43 39.987 -8.182 17.536
354 HD3 PRO 43 2HD PRO 43 41.691 -7.912 17.957
355 H GLY 44 H GLY 44 38.092 -6.781 22.028
356 HA2 GLY 44 1HA GLY 44 35.790 -6.478 22.251
357 HA3 GLY 44 2HA GLY 44 35.694 -6.111 20.531
358 H THR 45 H THR 45 33.795 -7.503 20.540
359 HA THR 45 HA THR 45 34.542 -10.341 20.209
360 HB THR 45 HB THR 45 33.412 -10.070 22.382
361 HG1 THR 45 HG1 THR 45 32.340 -11.839 22.020
362 HG21 THR 45 1HG2 THR 45 32.074 -8.048 21.702
363 HG22 THR 45 2HG2 THR 45 31.135 -9.287 22.535
364 HG23 THR 45 3HG2 THR 45 31.020 -9.123 20.783
365 H HIS 46 H HIS 46 33.147 -11.537 18.776
366 HA HIS 46 HA HIS 46 32.422 -10.013 16.461
367 HB2 HIS 46 1HB HIS 46 31.993 -12.923 17.143
368 HB3 HIS 46 2HB HIS 46 31.681 -12.209 15.572
369 HD1 HIS 46 HD1 HIS 46 34.450 -13.297 17.847
370 HD2 HIS 46 HD2 HIS 46 34.024 -11.639 14.045
371 HE1 HIS 46 HE1 HIS 46 36.717 -13.466 16.735
Start of MODEL 3
1 H ARG 1 3H ARG 1 18.609 20.719 -3.561
2 HA ARG 1 HA ARG 1 19.397 22.457 -5.610
3 HB2 ARG 1 1HB ARG 1 21.836 22.365 -5.342
4 HB3 ARG 1 2HB ARG 1 21.097 23.255 -4.013
5 HG2 ARG 1 1HG ARG 1 21.171 21.145 -2.645
6 HG3 ARG 1 2HG ARG 1 22.077 20.387 -3.955
7 HD2 ARG 1 1HD ARG 1 22.921 22.854 -2.412
8 HD3 ARG 1 2HD ARG 1 23.614 21.243 -2.250
9 HE ARG 1 HE ARG 1 24.047 23.123 -4.435
10 HH11 ARG 1 1HH1 ARG 1 24.423 19.815 -3.321
11 HH12 ARG 1 2HH1 ARG 1 25.662 19.461 -4.479
12 HH21 ARG 1 1HH2 ARG 1 25.646 22.608 -5.902
13 HH22 ARG 1 2HH2 ARG 1 26.345 21.024 -5.922
14 H SER 2 H SER 2 19.987 19.493 -3.757
15 HA SER 2 HA SER 2 21.049 17.907 -5.804
16 HB2 SER 2 1HB SER 2 20.394 16.006 -4.456
17 HB3 SER 2 2HB SER 2 20.966 17.291 -3.396
18 HG SER 2 HG SER 2 19.087 17.000 -2.475
19 H LEU 3 H LEU 3 17.715 18.849 -5.182
20 HA LEU 3 HA LEU 3 16.406 16.886 -6.718
21 HB2 LEU 3 1HB LEU 3 15.616 19.778 -6.286
22 HB3 LEU 3 2HB LEU 3 14.548 18.485 -6.831
23 HG LEU 3 HG LEU 3 16.035 18.480 -4.188
24 HD11 LEU 3 1HD1 LEU 3 14.373 20.190 -4.042
25 HD12 LEU 3 2HD1 LEU 3 13.655 18.765 -3.292
26 HD13 LEU 3 3HD1 LEU 3 13.198 19.222 -4.933
27 HD21 LEU 3 1HD2 LEU 3 13.985 16.652 -5.464
28 HD22 LEU 3 2HD2 LEU 3 14.318 16.639 -3.732
29 HD23 LEU 3 3HD2 LEU 3 15.593 16.228 -4.879
30 H LEU 4 H LEU 4 17.919 19.949 -7.643
31 HA LEU 4 HA LEU 4 16.999 20.090 -10.293
32 HB2 LEU 4 1HB LEU 4 18.221 21.881 -9.021
33 HB3 LEU 4 2HB LEU 4 19.711 20.980 -9.289
34 HG LEU 4 HG LEU 4 17.981 21.585 -11.665
35 HD11 LEU 4 1HD1 LEU 4 18.250 23.707 -10.251
36 HD12 LEU 4 2HD1 LEU 4 18.817 23.800 -11.918
37 HD13 LEU 4 3HD1 LEU 4 19.974 23.595 -10.603
38 HD21 LEU 4 1HD2 LEU 4 20.879 21.086 -11.053
39 HD22 LEU 4 2HD2 LEU 4 20.459 21.981 -12.515
40 HD23 LEU 4 3HD2 LEU 4 19.857 20.342 -12.282
41 H GLU 5 H GLU 5 19.747 18.375 -8.869
42 HA GLU 5 HA GLU 5 21.011 17.571 -11.247
43 HB2 GLU 5 1HB GLU 5 20.890 16.214 -8.547
44 HB3 GLU 5 2HB GLU 5 21.991 15.757 -9.848
45 HG2 GLU 5 1HG GLU 5 21.854 18.502 -8.567
46 HG3 GLU 5 2HG GLU 5 23.073 17.280 -8.214
47 H GLY 6 H GLY 6 18.243 16.219 -9.528
48 HA2 GLY 6 1HA GLY 6 16.602 14.804 -10.389
49 HA3 GLY 6 2HA GLY 6 17.569 14.610 -11.848
50 H GLU 7 H GLU 7 18.550 14.069 -8.487
51 HA GLU 7 HA GLU 7 19.735 11.543 -9.125
52 HB2 GLU 7 1HB GLU 7 20.567 13.085 -7.339
53 HB3 GLU 7 2HB GLU 7 19.133 12.689 -6.391
54 HG2 GLU 7 1HG GLU 7 19.766 10.284 -6.501
55 HG3 GLU 7 2HG GLU 7 21.235 10.731 -7.355
56 H ILE 8 H ILE 8 19.056 9.489 -8.624
57 HA ILE 8 HA ILE 8 16.180 9.211 -8.062
58 HB ILE 8 HB ILE 8 16.467 6.915 -8.950
59 HG12 ILE 8 1HG1 ILE 8 19.304 7.787 -9.570
60 HG13 ILE 8 2HG1 ILE 8 18.880 6.719 -8.231
61 HG21 ILE 8 1HG2 ILE 8 17.702 8.965 -10.805
62 HG22 ILE 8 2HG2 ILE 8 15.981 8.921 -10.421
63 HG23 ILE 8 3HG2 ILE 8 16.733 7.559 -11.252
64 HD11 ILE 8 1HD1 ILE 8 18.677 6.206 -11.187
65 HD12 ILE 8 2HD1 ILE 8 17.646 5.322 -10.062
66 HD13 ILE 8 3HD1 ILE 8 19.400 5.197 -9.935
67 HA PRO 9 HA PRO 9 16.826 7.564 -4.009
68 HB2 PRO 9 1HB PRO 9 15.268 5.237 -4.069
69 HB3 PRO 9 2HB PRO 9 14.681 6.865 -3.688
70 HG2 PRO 9 1HG PRO 9 14.519 5.348 -6.228
71 HG3 PRO 9 2HG PRO 9 13.356 6.471 -5.499
72 HD2 PRO 9 1HD PRO 9 14.909 7.212 -7.578
73 HD3 PRO 9 2HD PRO 9 14.460 8.358 -6.295
74 H PHE 10 H PHE 10 19.028 7.042 -4.247
75 HA PHE 10 HA PHE 10 20.046 4.771 -5.550
76 HB2 PHE 10 1HB PHE 10 22.071 5.155 -4.187
77 HB3 PHE 10 2HB PHE 10 21.479 6.617 -4.951
78 HD1 PHE 10 HD1 PHE 10 20.483 8.419 -3.621
79 HD2 PHE 10 HD2 PHE 10 21.977 4.839 -1.776
80 HE1 PHE 10 HE1 PHE 10 20.423 9.534 -1.407
81 HE2 PHE 10 HE2 PHE 10 21.917 5.955 0.437
82 HZ PHE 10 HZ PHE 10 21.140 8.303 0.622
83 HA PRO 11 HA PRO 11 19.246 1.636 -2.538
84 HB2 PRO 11 1HB PRO 11 21.387 -0.084 -3.026
85 HB3 PRO 11 2HB PRO 11 19.895 0.013 -3.968
86 HG2 PRO 11 1HG PRO 11 22.525 0.730 -4.767
87 HG3 PRO 11 2HG PRO 11 21.026 0.828 -5.700
88 HD2 PRO 11 1HD PRO 11 22.484 2.978 -4.298
89 HD3 PRO 11 2HD PRO 11 21.292 3.090 -5.613
90 HA PRO 12 HA PRO 12 21.939 3.306 0.806
91 HB2 PRO 12 1HB PRO 12 20.646 1.921 2.880
92 HB3 PRO 12 2HB PRO 12 20.264 3.557 2.318
93 HG2 PRO 12 1HG PRO 12 18.941 0.988 1.679
94 HG3 PRO 12 2HG PRO 12 18.245 2.606 1.881
95 HD2 PRO 12 1HD PRO 12 18.570 1.518 -0.561
96 HD3 PRO 12 2HD PRO 12 18.778 3.263 -0.288
97 H THR 13 H THR 13 20.854 -0.088 1.247
98 HA THR 13 HA THR 13 23.125 -0.944 2.626
99 HB THR 13 HB THR 13 22.415 -3.219 2.061
100 HG1 THR 13 HG1 THR 13 20.910 -1.805 0.148
101 HG21 THR 13 1HG2 THR 13 21.189 -1.992 3.804
102 HG22 THR 13 2HG2 THR 13 20.100 -3.054 2.913
103 HG23 THR 13 3HG2 THR 13 20.108 -1.322 2.582
104 H SER 14 H SER 14 22.943 -0.126 -0.702
105 HA SER 14 HA SER 14 24.822 -2.167 -1.606
106 HB2 SER 14 1HB SER 14 22.997 -1.432 -3.110
107 HB3 SER 14 2HB SER 14 23.643 0.205 -3.074
108 HG SER 14 HG SER 14 24.923 -0.433 -4.611
109 H ILE 15 H ILE 15 24.670 1.373 -1.448
110 HA ILE 15 HA ILE 15 27.431 1.807 -1.921
111 HB ILE 15 HB ILE 15 27.060 4.058 -1.049
112 HG12 ILE 15 1HG1 ILE 15 24.300 3.069 -0.268
113 HG13 ILE 15 2HG1 ILE 15 25.606 3.378 0.876
114 HG21 ILE 15 1HG2 ILE 15 24.618 3.189 -2.610
115 HG22 ILE 15 2HG2 ILE 15 26.222 3.312 -3.333
116 HG23 ILE 15 3HG2 ILE 15 25.440 4.748 -2.671
117 HD11 ILE 15 1HD1 ILE 15 24.317 5.406 -0.970
118 HD12 ILE 15 2HD1 ILE 15 25.710 5.734 0.061
119 HD13 ILE 15 3HD1 ILE 15 24.154 5.330 0.784
120 H LEU 16 H LEU 16 25.580 1.082 1.000
121 HA LEU 16 HA LEU 16 27.688 1.522 2.862
122 HB2 LEU 16 1HB LEU 16 25.295 -0.326 2.958
123 HB3 LEU 16 2HB LEU 16 26.381 -0.047 4.319
124 HG LEU 16 HG LEU 16 24.934 2.185 2.873
125 HD11 LEU 16 1HD1 LEU 16 23.257 0.748 3.895
126 HD12 LEU 16 2HD1 LEU 16 23.444 2.190 4.892
127 HD13 LEU 16 3HD1 LEU 16 24.186 0.671 5.392
128 HD21 LEU 16 1HD2 LEU 16 25.459 3.275 5.164
129 HD22 LEU 16 2HD2 LEU 16 26.797 3.066 4.034
130 HD23 LEU 16 3HD2 LEU 16 26.596 1.945 5.380
131 H LEU 17 H LEU 17 26.805 -1.224 0.817
132 HA LEU 17 HA LEU 17 28.452 -3.161 2.052
133 HB2 LEU 17 1HB LEU 17 26.595 -3.317 0.150
134 HB3 LEU 17 2HB LEU 17 27.993 -3.202 -0.907
135 HG LEU 17 HG LEU 17 27.482 -5.538 -0.533
136 HD11 LEU 17 1HD1 LEU 17 29.819 -5.155 1.300
137 HD12 LEU 17 2HD1 LEU 17 29.943 -4.608 -0.372
138 HD13 LEU 17 3HD1 LEU 17 29.607 -6.303 -0.022
139 HD21 LEU 17 1HD2 LEU 17 26.335 -5.001 1.720
140 HD22 LEU 17 2HD2 LEU 17 27.943 -5.177 2.423
141 HD23 LEU 17 3HD2 LEU 17 27.195 -6.535 1.581
142 H LEU 18 H LEU 18 29.029 -0.986 -0.694
143 HA LEU 18 HA LEU 18 31.671 -1.800 -1.243
144 HB2 LEU 18 1HB LEU 18 30.163 0.758 -1.738
145 HB3 LEU 18 2HB LEU 18 31.869 0.609 -2.160
146 HG LEU 18 HG LEU 18 31.145 -1.586 -3.356
147 HD11 LEU 18 1HD1 LEU 18 28.899 -1.799 -2.546
148 HD12 LEU 18 2HD1 LEU 18 28.772 -1.341 -4.244
149 HD13 LEU 18 3HD1 LEU 18 28.517 -0.134 -2.984
150 HD21 LEU 18 1HD2 LEU 18 31.872 0.614 -4.406
151 HD22 LEU 18 2HD2 LEU 18 30.163 1.030 -4.525
152 HD23 LEU 18 3HD2 LEU 18 30.794 -0.367 -5.398
153 H LEU 19 H LEU 19 30.366 0.690 0.923
154 HA LEU 19 HA LEU 19 32.808 1.774 1.794
155 HB2 LEU 19 1HB LEU 19 30.559 2.735 2.277
156 HB3 LEU 19 2HB LEU 19 30.282 1.427 3.428
157 HG LEU 19 HG LEU 19 32.420 2.152 4.596
158 HD11 LEU 19 1HD1 LEU 19 33.587 3.467 3.053
159 HD12 LEU 19 2HD1 LEU 19 32.849 4.693 4.084
160 HD13 LEU 19 3HD1 LEU 19 32.131 4.307 2.519
161 HD21 LEU 19 1HD2 LEU 19 29.973 3.911 4.402
162 HD22 LEU 19 2HD2 LEU 19 31.277 4.278 5.532
163 HD23 LEU 19 3HD2 LEU 19 30.395 2.757 5.668
164 H ALA 20 H ALA 20 31.012 -1.077 2.876
165 HA ALA 20 HA ALA 20 32.498 -1.559 5.233
166 HB1 ALA 20 1HB ALA 20 30.312 -2.610 4.757
167 HB2 ALA 20 2HB ALA 20 31.545 -3.808 5.150
168 HB3 ALA 20 3HB ALA 20 31.061 -3.558 3.473
169 H CYS 21 H CYS 21 32.864 -2.810 1.922
170 HA CYS 21 HA CYS 21 34.916 -4.656 2.512
171 HB2 CYS 21 1HB CYS 21 34.241 -3.219 -0.064
172 HB3 CYS 21 2HB CYS 21 35.385 -4.556 0.059
173 HG CYS 21 HG CYS 21 33.453 -6.145 0.691
174 H ILE 22 H ILE 22 35.066 -1.339 1.222
175 HA ILE 22 HA ILE 22 37.877 -1.291 0.961
176 HB ILE 22 HB ILE 22 36.376 0.286 -0.192
177 HG12 ILE 22 1HG1 ILE 22 38.281 1.814 1.586
178 HG13 ILE 22 2HG1 ILE 22 38.850 0.725 0.320
179 HG21 ILE 22 1HG2 ILE 22 35.514 2.245 1.046
180 HG22 ILE 22 2HG2 ILE 22 36.074 1.531 2.556
181 HG23 ILE 22 3HG2 ILE 22 34.801 0.741 1.623
182 HD11 ILE 22 1HD1 ILE 22 38.757 2.763 -0.818
183 HD12 ILE 22 2HD1 ILE 22 37.319 3.296 0.052
184 HD13 ILE 22 3HD1 ILE 22 37.184 2.065 -1.203
185 H PHE 23 H PHE 23 35.777 -0.500 3.693
186 HA PHE 23 HA PHE 23 37.696 0.812 5.282
187 HB2 PHE 23 1HB PHE 23 35.219 0.744 5.671
188 HB3 PHE 23 2HB PHE 23 35.405 -0.907 6.231
189 HD1 PHE 23 HD1 PHE 23 36.467 -1.393 8.387
190 HD2 PHE 23 HD2 PHE 23 35.998 2.639 6.981
191 HE1 PHE 23 HE1 PHE 23 36.961 -0.541 10.663
192 HE2 PHE 23 HE2 PHE 23 36.493 3.491 9.256
193 HZ PHE 23 HZ PHE 23 36.975 1.901 11.097
194 H LEU 24 H LEU 24 36.727 -2.612 5.131
195 HA LEU 24 HA LEU 24 38.377 -3.538 7.210
196 HB2 LEU 24 1HB LEU 24 37.471 -4.996 4.714
197 HB3 LEU 24 2HB LEU 24 38.135 -5.760 6.158
198 HG LEU 24 HG LEU 24 35.652 -4.022 6.145
199 HD11 LEU 24 1HD1 LEU 24 34.468 -6.212 6.491
200 HD12 LEU 24 2HD1 LEU 24 35.985 -7.035 6.127
201 HD13 LEU 24 3HD1 LEU 24 35.197 -6.052 4.894
202 HD21 LEU 24 1HD2 LEU 24 37.101 -5.670 8.218
203 HD22 LEU 24 2HD2 LEU 24 35.384 -5.299 8.386
204 HD23 LEU 24 3HD2 LEU 24 36.567 -3.993 8.326
205 H ILE 25 H ILE 25 39.003 -3.167 3.742
206 HA ILE 25 HA ILE 25 41.553 -4.353 3.683
207 HB ILE 25 HB ILE 25 40.503 -2.061 1.998
208 HG12 ILE 25 1HG1 ILE 25 40.525 -5.036 1.422
209 HG13 ILE 25 2HG1 ILE 25 39.119 -4.179 2.049
210 HG21 ILE 25 1HG2 ILE 25 42.163 -2.804 0.352
211 HG22 ILE 25 2HG2 ILE 25 42.706 -4.076 1.447
212 HG23 ILE 25 3HG2 ILE 25 42.970 -2.383 1.863
213 HD11 ILE 25 1HD1 ILE 25 40.505 -3.770 -0.607
214 HD12 ILE 25 2HD1 ILE 25 39.363 -2.599 0.055
215 HD13 ILE 25 3HD1 ILE 25 38.829 -4.238 -0.319
216 H LYS 26 H LYS 26 40.553 -1.016 4.352
217 HA LYS 26 HA LYS 26 43.099 0.148 4.485
218 HB2 LYS 26 1HB LYS 26 40.950 1.405 4.456
219 HB3 LYS 26 2HB LYS 26 40.665 0.898 6.121
220 HG2 LYS 26 1HG LYS 26 42.704 2.026 6.853
221 HG3 LYS 26 2HG LYS 26 43.088 2.466 5.188
222 HD2 LYS 26 1HD LYS 26 42.066 4.388 6.237
223 HD3 LYS 26 2HD LYS 26 40.900 3.714 5.096
224 HE2 LYS 26 1HE LYS 26 39.598 2.748 6.809
225 HE3 LYS 26 2HE LYS 26 40.903 2.867 7.989
226 HZ1 LYS 26 1HZ LYS 26 38.959 4.837 7.192
227 HZ2 LYS 26 2HZ LYS 26 40.549 5.431 7.245
228 HZ3 LYS 26 3HZ LYS 26 39.860 4.720 8.625
229 H ILE 27 H ILE 27 41.205 -1.541 6.949
230 HA ILE 27 HA ILE 27 42.860 -0.969 9.163
231 HB ILE 27 HB ILE 27 41.202 -3.460 8.678
232 HG12 ILE 27 1HG1 ILE 27 40.443 -0.898 10.110
233 HG13 ILE 27 2HG1 ILE 27 39.965 -1.273 8.454
234 HG21 ILE 27 1HG2 ILE 27 42.814 -3.627 10.564
235 HG22 ILE 27 2HG2 ILE 27 41.142 -3.603 11.128
236 HG23 ILE 27 3HG2 ILE 27 42.137 -2.151 11.252
237 HD11 ILE 27 1HD1 ILE 27 39.106 -3.527 9.529
238 HD12 ILE 27 2HD1 ILE 27 38.122 -2.069 9.635
239 HD13 ILE 27 3HD1 ILE 27 39.098 -2.575 11.014
240 H LEU 28 H LEU 28 42.857 -3.706 6.899
241 HA LEU 28 HA LEU 28 44.893 -5.195 8.147
242 HB2 LEU 28 1HB LEU 28 44.169 -5.098 5.208
243 HB3 LEU 28 2HB LEU 28 45.092 -6.374 6.002
244 HG LEU 28 HG LEU 28 42.254 -5.594 6.738
245 HD11 LEU 28 1HD1 LEU 28 43.246 -8.045 5.253
246 HD12 LEU 28 2HD1 LEU 28 42.501 -6.652 4.469
247 HD13 LEU 28 3HD1 LEU 28 41.569 -7.627 5.606
248 HD21 LEU 28 1HD2 LEU 28 42.440 -7.907 7.874
249 HD22 LEU 28 2HD2 LEU 28 43.282 -6.565 8.647
250 HD23 LEU 28 3HD2 LEU 28 44.182 -7.726 7.673
251 H ALA 29 H ALA 29 45.041 -2.746 5.596
252 HA ALA 29 HA ALA 29 47.821 -2.938 5.109
253 HB1 ALA 29 1HB ALA 29 46.010 -0.540 4.758
254 HB2 ALA 29 2HB ALA 29 46.235 -1.826 3.573
255 HB3 ALA 29 3HB ALA 29 47.585 -0.775 4.001
256 H ALA 30 H ALA 30 45.942 -1.041 7.422
257 HA ALA 30 HA ALA 30 46.561 0.284 9.187
258 HB1 ALA 30 1HB ALA 30 48.571 -0.367 10.406
259 HB2 ALA 30 2HB ALA 30 49.122 -1.312 9.023
260 HB3 ALA 30 3HB ALA 30 47.668 -1.794 9.897
261 H SER 31 H SER 31 47.675 0.893 6.245
262 HA SER 31 HA SER 31 50.054 2.340 6.498
263 HB2 SER 31 1HB SER 31 47.726 2.954 4.663
264 HB3 SER 31 2HB SER 31 49.392 3.478 4.447
265 HG SER 31 HG SER 31 49.990 1.396 4.077
266 H ALA 32 H ALA 32 46.700 3.316 7.093
267 HA ALA 32 HA ALA 32 47.160 6.081 7.386
268 HB1 ALA 32 1HB ALA 32 44.981 6.207 8.188
269 HB2 ALA 32 2HB ALA 32 45.086 4.651 9.012
270 HB3 ALA 32 3HB ALA 32 44.931 4.711 7.256
271 H LEU 33 H LEU 33 47.194 3.438 9.771
272 HA LEU 33 HA LEU 33 47.483 5.051 12.059
273 HB2 LEU 33 1HB LEU 33 48.112 2.186 11.417
274 HB3 LEU 33 2HB LEU 33 48.659 2.867 12.942
275 HG LEU 33 HG LEU 33 46.470 1.706 13.127
276 HD11 LEU 33 1HD1 LEU 33 45.993 4.645 13.550
277 HD12 LEU 33 2HD1 LEU 33 47.200 3.777 14.499
278 HD13 LEU 33 3HD1 LEU 33 45.508 3.285 14.563
279 HD21 LEU 33 1HD2 LEU 33 45.647 2.321 10.835
280 HD22 LEU 33 2HD2 LEU 33 45.391 3.965 11.419
281 HD23 LEU 33 3HD2 LEU 33 44.473 2.630 12.115
282 H TRP 34 H TRP 34 49.890 3.623 9.889
283 HA TRP 34 HA TRP 34 52.167 4.351 11.402
284 HB2 TRP 34 1HB TRP 34 51.813 3.824 8.455
285 HB3 TRP 34 2HB TRP 34 53.373 4.089 9.212
286 HD1 TRP 34 HD1 TRP 34 50.927 1.451 8.394
287 HE1 TRP 34 HE1 TRP 34 51.602 -0.781 9.490
288 HE3 TRP 34 HE3 TRP 34 54.529 3.106 11.613
289 HZ2 TRP 34 HZ2 TRP 34 53.431 -1.741 11.474
290 HZ3 TRP 34 HZ3 TRP 34 55.719 1.516 13.091
291 HH2 TRP 34 HH2 TRP 34 55.178 -0.901 13.028
292 H ALA 35 H ALA 35 50.504 5.990 8.721
293 HA ALA 35 HA ALA 35 52.347 8.093 8.413
294 HB1 ALA 35 1HB ALA 35 50.815 9.023 6.944
295 HB2 ALA 35 2HB ALA 35 49.426 8.504 7.900
296 HB3 ALA 35 3HB ALA 35 50.320 7.331 6.932
297 H ALA 36 H ALA 36 49.482 7.784 10.469
298 HA ALA 36 HA ALA 36 49.316 10.450 11.329
299 HB1 ALA 36 1HB ALA 36 48.609 7.988 12.936
300 HB2 ALA 36 2HB ALA 36 47.578 8.689 11.689
301 HB3 ALA 36 3HB ALA 36 47.959 9.614 13.142
302 H ALA 37 H ALA 37 51.316 7.775 12.468
303 HA ALA 37 HA ALA 37 52.149 8.951 14.904
304 HB1 ALA 37 1HB ALA 37 53.697 7.206 15.047
305 HB2 ALA 37 2HB ALA 37 53.906 7.118 13.298
306 HB3 ALA 37 3HB ALA 37 52.425 6.514 14.041
307 H TRP 38 H TRP 38 53.540 9.024 11.634
308 HA TRP 38 HA TRP 38 55.895 10.439 12.353
309 HB2 TRP 38 1HB TRP 38 55.555 9.119 10.252
310 HB3 TRP 38 2HB TRP 38 54.506 10.399 9.675
311 HD1 TRP 38 HD1 TRP 38 55.622 12.297 8.398
312 HE1 TRP 38 HE1 TRP 38 58.052 13.047 7.987
313 HE3 TRP 38 HE3 TRP 38 58.069 9.127 11.564
314 HZ2 TRP 38 HZ2 TRP 38 60.692 12.388 8.883
315 HZ3 TRP 38 HZ3 TRP 38 60.535 9.208 11.767
316 HH2 TRP 38 HH2 TRP 38 61.850 10.831 10.433
317 H HIS 39 H HIS 39 52.838 11.532 10.880
318 HA HIS 39 HA HIS 39 53.440 14.268 11.837
319 HB2 HIS 39 1HB HIS 39 52.252 13.412 9.201
320 HB3 HIS 39 2HB HIS 39 52.175 15.054 9.807
321 HD1 HIS 39 HD1 HIS 39 53.645 14.326 7.161
322 HD2 HIS 39 HD2 HIS 39 55.521 14.690 10.865
323 HE1 HIS 39 HE1 HIS 39 56.080 14.824 6.682
324 H GLY 40 H GLY 40 51.676 15.494 12.539
325 HA2 GLY 40 1HA GLY 40 49.436 13.939 13.524
326 HA3 GLY 40 2HA GLY 40 49.747 15.645 13.837
327 H GLN 41 H GLN 41 47.234 15.286 13.400
328 HA GLN 41 HA GLN 41 46.676 15.582 10.520
329 HB2 GLN 41 1HB GLN 41 45.381 13.892 11.818
330 HB3 GLN 41 2HB GLN 41 44.736 15.199 12.813
331 HG2 GLN 41 1HG GLN 41 43.758 16.258 10.828
332 HG3 GLN 41 2HG GLN 41 44.438 14.998 9.803
333 HE21 GLN 41 1HE2 GLN 41 41.717 15.278 9.647
334 HE22 GLN 41 2HE2 GLN 41 40.926 14.021 10.468
335 H LYS 42 H LYS 42 46.355 17.548 9.713
336 HA LYS 42 HA LYS 42 46.254 19.865 11.405
337 HB2 LYS 42 1HB LYS 42 45.928 19.536 8.414
338 HB3 LYS 42 2HB LYS 42 45.999 21.093 9.242
339 HG2 LYS 42 1HG LYS 42 48.161 19.003 9.550
340 HG3 LYS 42 2HG LYS 42 48.210 20.234 8.286
341 HD2 LYS 42 1HD LYS 42 47.939 21.974 10.106
342 HD3 LYS 42 2HD LYS 42 48.186 20.680 11.280
343 HE2 LYS 42 1HE LYS 42 50.153 21.120 9.041
344 HE3 LYS 42 2HE LYS 42 50.257 22.056 10.532
345 HZ1 LYS 42 1HZ LYS 42 51.036 19.375 10.052
346 HZ2 LYS 42 2HZ LYS 42 49.883 19.432 11.300
347 HZ3 LYS 42 3HZ LYS 42 51.314 20.341 11.419
348 HA PRO 43 HA PRO 43 41.825 20.088 11.543
349 HB2 PRO 43 1HB PRO 43 41.448 22.588 12.476
350 HB3 PRO 43 2HB PRO 43 42.226 21.333 13.462
351 HG2 PRO 43 1HG PRO 43 43.421 23.644 12.068
352 HG3 PRO 43 2HG PRO 43 43.932 22.824 13.553
353 HD2 PRO 43 1HD PRO 43 45.025 22.455 10.961
354 HD3 PRO 43 2HD PRO 43 45.366 21.484 12.408
355 H GLY 44 H GLY 44 40.302 20.337 10.008
356 HA2 GLY 44 1HA GLY 44 38.937 21.525 8.511
357 HA3 GLY 44 2HA GLY 44 40.139 22.810 8.464
358 H THR 45 H THR 45 39.074 22.069 6.116
359 HA THR 45 HA THR 45 41.256 20.557 4.803
360 HB THR 45 HB THR 45 38.341 20.544 3.988
361 HG1 THR 45 HG1 THR 45 39.871 18.445 5.108
362 HG21 THR 45 1HG2 THR 45 39.916 20.245 2.129
363 HG22 THR 45 2HG2 THR 45 39.092 18.727 2.484
364 HG23 THR 45 3HG2 THR 45 40.751 18.978 3.027
365 H HIS 46 H HIS 46 42.039 21.404 2.912
366 HA HIS 46 HA HIS 46 40.775 23.867 1.875
367 HB2 HIS 46 1HB HIS 46 43.712 23.444 2.440
368 HB3 HIS 46 2HB HIS 46 43.054 24.803 1.550
369 HD1 HIS 46 HD1 HIS 46 43.468 23.426 4.993
370 HD2 HIS 46 HD2 HIS 46 41.681 26.728 3.181
371 HE1 HIS 46 HE1 HIS 46 42.902 25.044 6.855
Start of MODEL 4
1 H ARG 1 3H ARG 1 29.456 13.979 -7.003
2 HA ARG 1 HA ARG 1 29.638 12.477 -4.480
3 HB2 ARG 1 1HB ARG 1 31.308 12.193 -6.326
4 HB3 ARG 1 2HB ARG 1 31.698 13.908 -6.180
5 HG2 ARG 1 1HG ARG 1 32.391 13.592 -3.860
6 HG3 ARG 1 2HG ARG 1 31.918 11.895 -3.925
7 HD2 ARG 1 1HD ARG 1 34.299 11.979 -4.251
8 HD3 ARG 1 2HD ARG 1 33.572 11.591 -5.806
9 HE ARG 1 HE ARG 1 34.889 14.093 -5.060
10 HH11 ARG 1 1HH1 ARG 1 32.963 12.399 -7.462
11 HH12 ARG 1 2HH1 ARG 1 33.401 13.498 -8.726
12 HH21 ARG 1 1HH2 ARG 1 35.410 15.472 -6.730
13 HH22 ARG 1 2HH2 ARG 1 34.766 15.214 -8.316
14 H SER 2 H SER 2 30.791 15.608 -5.759
15 HA SER 2 HA SER 2 31.148 16.818 -3.252
16 HB2 SER 2 1HB SER 2 31.437 18.861 -4.441
17 HB3 SER 2 2HB SER 2 32.042 17.596 -5.504
18 HG SER 2 HG SER 2 30.639 19.025 -6.601
19 H LEU 3 H LEU 3 29.907 18.336 -2.111
20 HA LEU 3 HA LEU 3 27.155 17.783 -1.904
21 HB2 LEU 3 1HB LEU 3 28.955 19.927 -0.825
22 HB3 LEU 3 2HB LEU 3 27.217 20.086 -0.625
23 HG LEU 3 HG LEU 3 28.324 19.022 1.327
24 HD11 LEU 3 1HD1 LEU 3 26.618 17.495 1.707
25 HD12 LEU 3 2HD1 LEU 3 26.646 16.894 0.049
26 HD13 LEU 3 3HD1 LEU 3 25.936 18.469 0.405
27 HD21 LEU 3 1HD2 LEU 3 30.092 17.824 0.002
28 HD22 LEU 3 2HD2 LEU 3 28.853 16.688 -0.530
29 HD23 LEU 3 3HD2 LEU 3 29.269 16.802 1.181
30 H LEU 4 H LEU 4 28.907 20.288 -3.671
31 HA LEU 4 HA LEU 4 26.744 21.981 -4.266
32 HB2 LEU 4 1HB LEU 4 29.187 21.402 -5.959
33 HB3 LEU 4 2HB LEU 4 28.130 22.806 -6.108
34 HG LEU 4 HG LEU 4 29.706 22.095 -3.616
35 HD11 LEU 4 1HD1 LEU 4 31.178 23.929 -4.225
36 HD12 LEU 4 2HD1 LEU 4 30.189 24.304 -5.636
37 HD13 LEU 4 3HD1 LEU 4 31.106 22.799 -5.578
38 HD21 LEU 4 1HD2 LEU 4 29.095 24.548 -3.108
39 HD22 LEU 4 2HD2 LEU 4 27.798 23.361 -2.965
40 HD23 LEU 4 3HD2 LEU 4 27.897 24.390 -4.393
41 H GLU 5 H GLU 5 27.890 19.032 -5.845
42 HA GLU 5 HA GLU 5 26.367 19.196 -8.200
43 HB2 GLU 5 1HB GLU 5 28.193 17.544 -7.763
44 HB3 GLU 5 2HB GLU 5 27.091 16.673 -6.695
45 HG2 GLU 5 1HG GLU 5 25.488 16.446 -8.586
46 HG3 GLU 5 2HG GLU 5 26.654 17.230 -9.641
47 H GLY 6 H GLY 6 25.535 18.004 -4.974
48 HA2 GLY 6 1HA GLY 6 23.446 17.804 -3.996
49 HA3 GLY 6 2HA GLY 6 22.728 18.390 -5.492
50 H GLU 7 H GLU 7 24.895 15.609 -5.254
51 HA GLU 7 HA GLU 7 22.694 13.894 -6.218
52 HB2 GLU 7 1HB GLU 7 24.791 14.052 -7.582
53 HB3 GLU 7 2HB GLU 7 25.668 13.333 -6.231
54 HG2 GLU 7 1HG GLU 7 24.137 11.371 -6.322
55 HG3 GLU 7 2HG GLU 7 23.353 12.075 -7.729
56 H ILE 8 H ILE 8 21.935 12.257 -5.011
57 HA ILE 8 HA ILE 8 23.266 11.716 -2.425
58 HB ILE 8 HB ILE 8 20.357 11.355 -3.178
59 HG12 ILE 8 1HG1 ILE 8 20.938 13.735 -3.088
60 HG13 ILE 8 2HG1 ILE 8 19.942 13.297 -1.706
61 HG21 ILE 8 1HG2 ILE 8 21.771 11.162 -0.508
62 HG22 ILE 8 2HG2 ILE 8 21.116 9.810 -1.432
63 HG23 ILE 8 3HG2 ILE 8 20.030 11.026 -0.758
64 HD11 ILE 8 1HD1 ILE 8 22.954 13.660 -1.714
65 HD12 ILE 8 2HD1 ILE 8 22.025 13.097 -0.325
66 HD13 ILE 8 3HD1 ILE 8 21.769 14.720 -0.957
67 HA PRO 9 HA PRO 9 23.407 7.528 -4.101
68 HB2 PRO 9 1HB PRO 9 24.537 6.227 -2.013
69 HB3 PRO 9 2HB PRO 9 25.449 7.366 -3.020
70 HG2 PRO 9 1HG PRO 9 24.457 7.671 -0.277
71 HG3 PRO 9 2HG PRO 9 25.802 8.480 -1.094
72 HD2 PRO 9 1HD PRO 9 23.172 9.512 -0.639
73 HD3 PRO 9 2HD PRO 9 24.505 10.289 -1.518
74 H PHE 10 H PHE 10 21.023 7.419 -4.079
75 HA PHE 10 HA PHE 10 19.416 6.790 -1.916
76 HB2 PHE 10 1HB PHE 10 19.228 6.467 -4.849
77 HB3 PHE 10 2HB PHE 10 18.121 5.489 -3.904
78 HD1 PHE 10 HD1 PHE 10 19.403 9.018 -4.025
79 HD2 PHE 10 HD2 PHE 10 16.048 6.404 -3.422
80 HE1 PHE 10 HE1 PHE 10 17.916 10.985 -3.766
81 HE2 PHE 10 HE2 PHE 10 14.562 8.372 -3.164
82 HZ PHE 10 HZ PHE 10 15.495 10.663 -3.336
83 HA PRO 11 HA PRO 11 19.992 1.968 -3.184
84 HB2 PRO 11 1HB PRO 11 22.911 2.426 -3.716
85 HB3 PRO 11 2HB PRO 11 21.839 1.155 -4.340
86 HG2 PRO 11 1HG PRO 11 22.482 3.261 -5.816
87 HG3 PRO 11 2HG PRO 11 20.861 2.546 -5.879
88 HD2 PRO 11 1HD PRO 11 21.708 5.130 -4.716
89 HD3 PRO 11 2HD PRO 11 20.103 4.611 -5.272
90 HA PRO 12 HA PRO 12 21.487 2.868 1.091
91 HB2 PRO 12 1HB PRO 12 20.084 0.876 2.382
92 HB3 PRO 12 2HB PRO 12 19.432 2.485 2.018
93 HG2 PRO 12 1HG PRO 12 18.999 -0.090 0.611
94 HG3 PRO 12 2HG PRO 12 17.874 1.247 0.905
95 HD2 PRO 12 1HD PRO 12 19.079 0.839 -1.509
96 HD3 PRO 12 2HD PRO 12 18.589 2.444 -0.928
97 H THR 13 H THR 13 20.868 -0.626 0.629
98 HA THR 13 HA THR 13 23.123 -1.434 2.101
99 HB THR 13 HB THR 13 22.690 -3.667 1.191
100 HG1 THR 13 HG1 THR 13 22.163 -3.411 -0.872
101 HG21 THR 13 1HG2 THR 13 21.252 -2.796 2.997
102 HG22 THR 13 2HG2 THR 13 20.346 -3.859 1.921
103 HG23 THR 13 3HG2 THR 13 20.159 -2.110 1.795
104 H SER 14 H SER 14 23.102 -0.096 -1.032
105 HA SER 14 HA SER 14 25.144 -1.857 -2.146
106 HB2 SER 14 1HB SER 14 24.043 0.709 -3.310
107 HB3 SER 14 2HB SER 14 24.932 -0.550 -4.157
108 HG SER 14 HG SER 14 23.208 -1.929 -3.862
109 H ILE 15 H ILE 15 24.789 1.581 -1.340
110 HA ILE 15 HA ILE 15 27.560 2.194 -1.518
111 HB ILE 15 HB ILE 15 25.796 3.922 -1.588
112 HG12 ILE 15 1HG1 ILE 15 27.567 4.365 0.819
113 HG13 ILE 15 2HG1 ILE 15 28.205 4.332 -0.826
114 HG21 ILE 15 1HG2 ILE 15 24.287 2.966 0.113
115 HG22 ILE 15 2HG2 ILE 15 24.707 4.633 0.503
116 HG23 ILE 15 3HG2 ILE 15 25.482 3.305 1.365
117 HD11 ILE 15 1HD1 ILE 15 26.853 6.202 -1.481
118 HD12 ILE 15 2HD1 ILE 15 27.606 6.641 0.053
119 HD13 ILE 15 3HD1 ILE 15 25.920 6.129 0.013
120 H LEU 16 H LEU 16 25.475 0.994 1.079
121 HA LEU 16 HA LEU 16 27.334 1.222 3.201
122 HB2 LEU 16 1HB LEU 16 24.916 0.691 3.483
123 HB3 LEU 16 2HB LEU 16 25.220 -0.910 2.811
124 HG LEU 16 HG LEU 16 26.958 -1.229 4.634
125 HD11 LEU 16 1HD1 LEU 16 25.744 1.403 5.465
126 HD12 LEU 16 2HD1 LEU 16 27.448 0.956 5.373
127 HD13 LEU 16 3HD1 LEU 16 26.433 0.308 6.663
128 HD21 LEU 16 1HD2 LEU 16 24.789 -2.288 4.843
129 HD22 LEU 16 2HD2 LEU 16 24.051 -0.776 5.372
130 HD23 LEU 16 3HD2 LEU 16 25.211 -1.605 6.413
131 H LEU 17 H LEU 17 26.842 -1.253 0.719
132 HA LEU 17 HA LEU 17 28.511 -3.232 1.893
133 HB2 LEU 17 1HB LEU 17 26.815 -3.683 0.121
134 HB3 LEU 17 2HB LEU 17 27.852 -2.851 -1.037
135 HG LEU 17 HG LEU 17 29.696 -4.474 -0.389
136 HD11 LEU 17 1HD1 LEU 17 27.346 -5.698 1.066
137 HD12 LEU 17 2HD1 LEU 17 28.941 -5.310 1.709
138 HD13 LEU 17 3HD1 LEU 17 28.747 -6.653 0.584
139 HD21 LEU 17 1HD2 LEU 17 28.421 -4.744 -2.466
140 HD22 LEU 17 2HD2 LEU 17 27.140 -5.583 -1.593
141 HD23 LEU 17 3HD2 LEU 17 28.732 -6.324 -1.749
142 H LEU 18 H LEU 18 29.088 -0.762 -0.580
143 HA LEU 18 HA LEU 18 31.776 -1.403 -1.131
144 HB2 LEU 18 1HB LEU 18 30.370 0.132 -2.505
145 HB3 LEU 18 2HB LEU 18 30.479 1.333 -1.219
146 HG LEU 18 HG LEU 18 33.007 1.160 -1.423
147 HD11 LEU 18 1HD1 LEU 18 33.346 -0.891 -2.550
148 HD12 LEU 18 2HD1 LEU 18 33.679 0.328 -3.780
149 HD13 LEU 18 3HD1 LEU 18 32.132 -0.518 -3.773
150 HD21 LEU 18 1HD2 LEU 18 31.589 2.979 -2.444
151 HD22 LEU 18 2HD2 LEU 18 31.565 2.045 -3.940
152 HD23 LEU 18 3HD2 LEU 18 33.091 2.670 -3.314
153 H LEU 19 H LEU 19 30.300 0.768 1.256
154 HA LEU 19 HA LEU 19 32.662 1.863 2.314
155 HB2 LEU 19 1HB LEU 19 30.310 2.619 2.783
156 HB3 LEU 19 2HB LEU 19 30.134 1.229 3.852
157 HG LEU 19 HG LEU 19 32.500 3.035 4.236
158 HD11 LEU 19 1HD1 LEU 19 30.570 4.570 4.051
159 HD12 LEU 19 2HD1 LEU 19 31.175 4.499 5.706
160 HD13 LEU 19 3HD1 LEU 19 29.708 3.625 5.265
161 HD21 LEU 19 1HD2 LEU 19 30.810 1.159 5.865
162 HD22 LEU 19 2HD2 LEU 19 31.716 2.429 6.688
163 HD23 LEU 19 3HD2 LEU 19 32.565 1.230 5.716
164 H ALA 20 H ALA 20 30.951 -1.152 3.048
165 HA ALA 20 HA ALA 20 32.393 -1.803 5.394
166 HB1 ALA 20 1HB ALA 20 31.624 -4.156 4.879
167 HB2 ALA 20 2HB ALA 20 30.924 -3.522 3.389
168 HB3 ALA 20 3HB ALA 20 30.338 -2.951 4.951
169 H CYS 21 H CYS 21 32.865 -2.776 2.002
170 HA CYS 21 HA CYS 21 34.985 -4.574 2.504
171 HB2 CYS 21 1HB CYS 21 34.273 -3.015 0.009
172 HB3 CYS 21 2HB CYS 21 35.467 -4.311 0.067
173 HG CYS 21 HG CYS 21 33.451 -5.898 0.907
174 H ILE 22 H ILE 22 35.008 -1.181 1.422
175 HA ILE 22 HA ILE 22 37.814 -1.000 1.177
176 HB ILE 22 HB ILE 22 36.250 0.585 0.124
177 HG12 ILE 22 1HG1 ILE 22 38.089 2.062 2.013
178 HG13 ILE 22 2HG1 ILE 22 38.697 1.101 0.664
179 HG21 ILE 22 1HG2 ILE 22 35.907 1.681 2.930
180 HG22 ILE 22 2HG2 ILE 22 34.672 0.824 2.007
181 HG23 ILE 22 3HG2 ILE 22 35.258 2.391 1.454
182 HD11 ILE 22 1HD1 ILE 22 37.015 3.597 0.590
183 HD12 ILE 22 2HD1 ILE 22 37.002 2.469 -0.768
184 HD13 ILE 22 3HD1 ILE 22 38.510 3.242 -0.278
185 H PHE 23 H PHE 23 35.674 -0.462 3.938
186 HA PHE 23 HA PHE 23 37.484 0.921 5.586
187 HB2 PHE 23 1HB PHE 23 35.052 0.736 5.973
188 HB3 PHE 23 2HB PHE 23 35.247 -0.965 6.337
189 HD1 PHE 23 HD1 PHE 23 36.235 -1.691 8.458
190 HD2 PHE 23 HD2 PHE 23 35.732 2.474 7.530
191 HE1 PHE 23 HE1 PHE 23 36.600 -1.115 10.841
192 HE2 PHE 23 HE2 PHE 23 36.099 3.049 9.915
193 HZ PHE 23 HZ PHE 23 36.530 1.254 11.570
194 H LEU 24 H LEU 24 36.700 -2.543 5.394
195 HA LEU 24 HA LEU 24 38.444 -3.318 7.486
196 HB2 LEU 24 1HB LEU 24 37.061 -4.788 5.268
197 HB3 LEU 24 2HB LEU 24 38.258 -5.618 6.264
198 HG LEU 24 HG LEU 24 36.908 -4.581 8.264
199 HD11 LEU 24 1HD1 LEU 24 34.498 -4.370 7.750
200 HD12 LEU 24 2HD1 LEU 24 34.846 -4.615 6.040
201 HD13 LEU 24 3HD1 LEU 24 35.446 -3.176 6.864
202 HD21 LEU 24 1HD2 LEU 24 35.719 -6.623 8.463
203 HD22 LEU 24 2HD2 LEU 24 37.120 -7.031 7.474
204 HD23 LEU 24 3HD2 LEU 24 35.547 -6.788 6.715
205 H ILE 25 H ILE 25 38.926 -3.160 3.960
206 HA ILE 25 HA ILE 25 41.374 -4.593 4.039
207 HB ILE 25 HB ILE 25 41.665 -3.864 1.706
208 HG12 ILE 25 1HG1 ILE 25 39.131 -2.264 2.208
209 HG13 ILE 25 2HG1 ILE 25 40.724 -1.573 1.925
210 HG21 ILE 25 1HG2 ILE 25 40.233 -5.794 2.362
211 HG22 ILE 25 2HG2 ILE 25 39.680 -5.020 0.877
212 HG23 ILE 25 3HG2 ILE 25 38.838 -4.716 2.396
213 HD11 ILE 25 1HD1 ILE 25 38.896 -2.939 -0.005
214 HD12 ILE 25 2HD1 ILE 25 40.637 -3.066 -0.257
215 HD13 ILE 25 3HD1 ILE 25 39.866 -1.481 -0.216
216 H LYS 26 H LYS 26 40.693 -1.095 4.015
217 HA LYS 26 HA LYS 26 43.386 -0.293 3.701
218 HB2 LYS 26 1HB LYS 26 41.102 1.179 5.028
219 HB3 LYS 26 2HB LYS 26 42.634 1.900 4.538
220 HG2 LYS 26 1HG LYS 26 40.737 0.497 2.638
221 HG3 LYS 26 2HG LYS 26 40.790 2.243 2.869
222 HD2 LYS 26 1HD LYS 26 43.241 2.150 2.241
223 HD3 LYS 26 2HD LYS 26 42.992 0.462 1.795
224 HE2 LYS 26 1HE LYS 26 41.448 1.028 0.079
225 HE3 LYS 26 2HE LYS 26 41.282 2.681 0.670
226 HZ1 LYS 26 1HZ LYS 26 42.715 2.787 -1.171
227 HZ2 LYS 26 2HZ LYS 26 43.624 1.446 -0.656
228 HZ3 LYS 26 3HZ LYS 26 43.724 2.918 0.186
229 H ILE 27 H ILE 27 41.456 -0.951 6.610
230 HA ILE 27 HA ILE 27 43.429 -0.054 8.442
231 HB ILE 27 HB ILE 27 41.235 -2.100 8.868
232 HG12 ILE 27 1HG1 ILE 27 41.274 0.883 9.419
233 HG13 ILE 27 2HG1 ILE 27 40.493 0.148 8.020
234 HG21 ILE 27 1HG2 ILE 27 43.040 -2.065 10.615
235 HG22 ILE 27 2HG2 ILE 27 41.468 -1.557 11.230
236 HG23 ILE 27 3HG2 ILE 27 42.704 -0.353 10.868
237 HD11 ILE 27 1HD1 ILE 27 38.862 0.543 9.822
238 HD12 ILE 27 2HD1 ILE 27 39.828 -0.443 10.919
239 HD13 ILE 27 3HD1 ILE 27 39.054 -1.184 9.518
240 H LEU 28 H LEU 28 42.728 -3.287 7.113
241 HA LEU 28 HA LEU 28 44.520 -4.711 8.747
242 HB2 LEU 28 1HB LEU 28 42.733 -5.738 7.346
243 HB3 LEU 28 2HB LEU 28 43.695 -5.377 5.912
244 HG LEU 28 HG LEU 28 45.586 -6.691 6.981
245 HD11 LEU 28 1HD1 LEU 28 43.341 -7.290 8.915
246 HD12 LEU 28 2HD1 LEU 28 44.970 -6.723 9.280
247 HD13 LEU 28 3HD1 LEU 28 44.717 -8.375 8.716
248 HD21 LEU 28 1HD2 LEU 28 44.197 -7.667 5.213
249 HD22 LEU 28 2HD2 LEU 28 42.970 -8.118 6.398
250 HD23 LEU 28 3HD2 LEU 28 44.554 -8.893 6.428
251 H ALA 29 H ALA 29 44.954 -3.233 5.548
252 HA ALA 29 HA ALA 29 47.633 -4.101 5.186
253 HB1 ALA 29 1HB ALA 29 47.677 -2.134 3.533
254 HB2 ALA 29 2HB ALA 29 45.984 -1.893 3.967
255 HB3 ALA 29 3HB ALA 29 46.499 -3.413 3.235
256 H ALA 30 H ALA 30 46.211 -1.173 6.565
257 HA ALA 30 HA ALA 30 47.086 0.505 7.850
258 HB1 ALA 30 1HB ALA 30 48.021 -1.575 9.043
259 HB2 ALA 30 2HB ALA 30 48.779 -0.018 9.377
260 HB3 ALA 30 3HB ALA 30 49.552 -1.156 8.275
261 H SER 31 H SER 31 48.320 -0.208 4.896
262 HA SER 31 HA SER 31 50.848 1.006 4.810
263 HB2 SER 31 1HB SER 31 48.749 0.974 2.628
264 HB3 SER 31 2HB SER 31 50.480 1.214 2.416
265 HG SER 31 HG SER 31 49.093 -1.070 2.605
266 H ALA 32 H ALA 32 47.594 2.381 4.548
267 HA ALA 32 HA ALA 32 48.352 4.962 3.707
268 HB1 ALA 32 1HB ALA 32 46.126 5.645 4.671
269 HB2 ALA 32 2HB ALA 32 45.950 3.994 5.267
270 HB3 ALA 32 3HB ALA 32 46.052 4.299 3.533
271 H LEU 33 H LEU 33 47.829 3.634 6.975
272 HA LEU 33 HA LEU 33 48.129 6.073 8.356
273 HB2 LEU 33 1HB LEU 33 48.514 3.202 9.197
274 HB3 LEU 33 2HB LEU 33 48.710 4.551 10.318
275 HG LEU 33 HG LEU 33 46.365 5.296 9.422
276 HD11 LEU 33 1HD1 LEU 33 46.004 3.780 7.640
277 HD12 LEU 33 2HD1 LEU 33 45.006 3.150 8.951
278 HD13 LEU 33 3HD1 LEU 33 46.562 2.402 8.590
279 HD21 LEU 33 1HD2 LEU 33 46.581 2.835 11.180
280 HD22 LEU 33 2HD2 LEU 33 45.303 4.050 11.212
281 HD23 LEU 33 3HD2 LEU 33 46.934 4.472 11.731
282 H TRP 34 H TRP 34 50.499 3.615 7.400
283 HA TRP 34 HA TRP 34 52.686 4.697 8.830
284 HB2 TRP 34 1HB TRP 34 52.579 2.407 7.854
285 HB3 TRP 34 2HB TRP 34 52.757 3.116 6.262
286 HD1 TRP 34 HD1 TRP 34 55.138 3.412 5.414
287 HE1 TRP 34 HE1 TRP 34 57.487 3.269 6.462
288 HE3 TRP 34 HE3 TRP 34 53.878 2.898 10.335
289 HZ2 TRP 34 HZ2 TRP 34 58.679 2.976 9.050
290 HZ3 TRP 34 HZ3 TRP 34 55.634 2.690 12.067
291 HH2 TRP 34 HH2 TRP 34 58.030 2.728 11.435
292 H ALA 35 H ALA 35 51.621 5.154 5.467
293 HA ALA 35 HA ALA 35 53.796 6.757 4.660
294 HB1 ALA 35 1HB ALA 35 52.347 7.414 2.775
295 HB2 ALA 35 2HB ALA 35 50.964 6.689 3.595
296 HB3 ALA 35 3HB ALA 35 52.301 5.674 3.056
297 H ALA 36 H ALA 36 50.639 7.608 6.031
298 HA ALA 36 HA ALA 36 50.793 10.386 5.655
299 HB1 ALA 36 1HB ALA 36 49.250 10.354 7.771
300 HB2 ALA 36 2HB ALA 36 49.293 8.605 7.543
301 HB3 ALA 36 3HB ALA 36 48.677 9.647 6.260
302 H ALA 37 H ALA 37 52.039 8.320 8.240
303 HA ALA 37 HA ALA 37 52.736 10.395 10.040
304 HB1 ALA 37 1HB ALA 37 54.217 8.700 11.071
305 HB2 ALA 37 2HB ALA 37 53.934 7.637 9.691
306 HB3 ALA 37 3HB ALA 37 52.600 8.069 10.762
307 H TRP 38 H TRP 38 54.483 8.848 7.381
308 HA TRP 38 HA TRP 38 57.034 9.896 7.886
309 HB2 TRP 38 1HB TRP 38 56.453 8.098 6.241
310 HB3 TRP 38 2HB TRP 38 55.823 9.343 5.180
311 HD1 TRP 38 HD1 TRP 38 57.497 10.575 3.672
312 HE1 TRP 38 HE1 TRP 38 60.053 10.483 3.354
313 HE3 TRP 38 HE3 TRP 38 58.777 7.683 7.680
314 HZ2 TRP 38 HZ2 TRP 38 62.343 9.331 4.634
315 HZ3 TRP 38 HZ3 TRP 38 61.145 7.104 8.107
316 HH2 TRP 38 HH2 TRP 38 62.929 7.921 6.593
317 H HIS 39 H HIS 39 54.265 11.287 6.190
318 HA HIS 39 HA HIS 39 55.854 13.711 5.602
319 HB2 HIS 39 1HB HIS 39 53.254 12.720 4.431
320 HB3 HIS 39 2HB HIS 39 54.020 14.241 4.018
321 HD1 HIS 39 HD1 HIS 39 54.179 10.577 3.399
322 HD2 HIS 39 HD2 HIS 39 56.415 13.959 2.431
323 HE1 HIS 39 HE1 HIS 39 55.777 9.877 1.567
324 H GLY 40 H GLY 40 55.051 15.755 6.126
325 HA2 GLY 40 1HA GLY 40 53.690 17.328 7.164
326 HA3 GLY 40 2HA GLY 40 52.538 16.050 7.531
327 H GLN 41 H GLN 41 55.982 16.115 8.350
328 HA GLN 41 HA GLN 41 55.644 15.250 10.988
329 HB2 GLN 41 1HB GLN 41 57.885 16.867 9.755
330 HB3 GLN 41 2HB GLN 41 57.963 16.097 11.340
331 HG2 GLN 41 1HG GLN 41 57.605 13.902 10.329
332 HG3 GLN 41 2HG GLN 41 57.422 14.637 8.739
333 HE21 GLN 41 1HE2 GLN 41 59.446 12.678 9.257
334 HE22 GLN 41 2HE2 GLN 41 60.961 13.435 9.146
335 H LYS 42 H LYS 42 55.725 18.523 9.648
336 HA LYS 42 HA LYS 42 54.944 19.567 12.311
337 HB2 LYS 42 1HB LYS 42 56.031 21.690 11.658
338 HB3 LYS 42 2HB LYS 42 57.181 20.355 11.716
339 HG2 LYS 42 1HG LYS 42 57.070 20.096 9.294
340 HG3 LYS 42 2HG LYS 42 55.824 21.340 9.190
341 HD2 LYS 42 1HD LYS 42 57.738 22.572 8.689
342 HD3 LYS 42 2HD LYS 42 57.608 22.826 10.430
343 HE2 LYS 42 1HE LYS 42 59.863 22.216 10.147
344 HE3 LYS 42 2HE LYS 42 59.094 20.704 10.629
345 HZ1 LYS 42 1HZ LYS 42 59.632 19.791 8.700
346 HZ2 LYS 42 2HZ LYS 42 60.547 21.175 8.333
347 HZ3 LYS 42 3HZ LYS 42 58.929 21.062 7.823
348 HA PRO 43 HA PRO 43 51.437 21.166 10.128
349 HB2 PRO 43 1HB PRO 43 50.621 23.204 11.700
350 HB3 PRO 43 2HB PRO 43 50.544 21.516 12.242
351 HG2 PRO 43 1HG PRO 43 52.457 23.648 12.978
352 HG3 PRO 43 2HG PRO 43 51.824 22.308 13.947
353 HD2 PRO 43 1HD PRO 43 54.334 22.372 12.691
354 HD3 PRO 43 2HD PRO 43 53.533 20.928 13.342
355 H GLY 44 H GLY 44 53.880 23.558 11.024
356 HA2 GLY 44 1HA GLY 44 54.831 25.242 9.746
357 HA3 GLY 44 2HA GLY 44 53.788 24.769 8.411
358 H THR 45 H THR 45 52.626 25.616 11.632
359 HA THR 45 HA THR 45 51.515 28.137 10.540
360 HB THR 45 HB THR 45 49.484 27.752 11.840
361 HG1 THR 45 HG1 THR 45 50.331 26.523 13.505
362 HG21 THR 45 1HG2 THR 45 50.235 25.369 10.123
363 HG22 THR 45 2HG2 THR 45 49.555 26.888 9.541
364 HG23 THR 45 3HG2 THR 45 48.592 25.828 10.571
365 H HIS 46 H HIS 46 50.964 29.724 12.228
366 HA HIS 46 HA HIS 46 53.106 29.900 14.169
367 HB2 HIS 46 1HB HIS 46 50.797 31.738 13.534
368 HB3 HIS 46 2HB HIS 46 52.055 32.099 14.701
369 HD1 HIS 46 HD1 HIS 46 51.362 31.922 11.035
370 HD2 HIS 46 HD2 HIS 46 54.592 32.754 13.535
371 HE1 HIS 46 HE1 HIS 46 53.154 32.946 9.571
Start of MODEL 5
1 H ARG 1 3H ARG 1 27.543 13.750 -9.839
2 HA ARG 1 HA ARG 1 27.648 16.261 -10.128
3 HB2 ARG 1 1HB ARG 1 27.606 16.685 -7.660
4 HB3 ARG 1 2HB ARG 1 29.204 15.947 -7.545
5 HG2 ARG 1 1HG ARG 1 30.082 17.632 -9.140
6 HG3 ARG 1 2HG ARG 1 28.491 18.393 -9.189
7 HD2 ARG 1 1HD ARG 1 28.627 18.737 -6.720
8 HD3 ARG 1 2HD ARG 1 30.265 18.090 -6.751
9 HE ARG 1 HE ARG 1 30.438 20.061 -8.565
10 HH11 ARG 1 1HH1 ARG 1 29.053 20.086 -5.339
11 HH12 ARG 1 2HH1 ARG 1 29.401 21.765 -5.094
12 HH21 ARG 1 1HH2 ARG 1 30.861 22.219 -8.192
13 HH22 ARG 1 2HH2 ARG 1 30.411 22.957 -6.690
14 H SER 2 H SER 2 29.497 16.930 -11.242
15 HA SER 2 HA SER 2 31.386 16.647 -12.501
16 HB2 SER 2 1HB SER 2 32.125 15.396 -9.886
17 HB3 SER 2 2HB SER 2 33.214 15.214 -11.257
18 HG SER 2 HG SER 2 33.661 17.105 -10.053
19 H LEU 3 H LEU 3 31.127 15.502 -14.293
20 HA LEU 3 HA LEU 3 30.138 12.869 -14.439
21 HB2 LEU 3 1HB LEU 3 31.662 14.574 -16.408
22 HB3 LEU 3 2HB LEU 3 31.083 12.956 -16.804
23 HG LEU 3 HG LEU 3 28.792 13.852 -15.880
24 HD11 LEU 3 1HD1 LEU 3 28.681 16.357 -16.631
25 HD12 LEU 3 2HD1 LEU 3 30.423 16.335 -16.357
26 HD13 LEU 3 3HD1 LEU 3 29.317 15.973 -15.032
27 HD21 LEU 3 1HD2 LEU 3 28.181 14.536 -18.136
28 HD22 LEU 3 2HD2 LEU 3 29.325 13.198 -18.242
29 HD23 LEU 3 3HD2 LEU 3 29.869 14.850 -18.535
30 H LEU 4 H LEU 4 33.436 14.120 -14.253
31 HA LEU 4 HA LEU 4 34.821 11.805 -15.036
32 HB2 LEU 4 1HB LEU 4 35.663 13.896 -13.015
33 HB3 LEU 4 2HB LEU 4 36.733 12.764 -13.842
34 HG LEU 4 HG LEU 4 34.997 14.825 -15.235
35 HD11 LEU 4 1HD1 LEU 4 37.884 14.809 -14.366
36 HD12 LEU 4 2HD1 LEU 4 36.680 16.081 -14.166
37 HD13 LEU 4 3HD1 LEU 4 37.368 15.760 -15.758
38 HD21 LEU 4 1HD2 LEU 4 36.696 14.196 -17.112
39 HD22 LEU 4 2HD2 LEU 4 35.369 13.083 -16.782
40 HD23 LEU 4 3HD2 LEU 4 36.980 12.745 -16.152
41 H GLU 5 H GLU 5 33.497 12.773 -11.901
42 HA GLU 5 HA GLU 5 34.717 10.765 -10.338
43 HB2 GLU 5 1HB GLU 5 32.067 12.180 -9.967
44 HB3 GLU 5 2HB GLU 5 32.864 11.195 -8.739
45 HG2 GLU 5 1HG GLU 5 34.854 12.682 -8.879
46 HG3 GLU 5 2HG GLU 5 33.995 13.691 -10.034
47 H GLY 6 H GLY 6 31.684 10.806 -12.176
48 HA2 GLY 6 1HA GLY 6 30.394 9.081 -12.985
49 HA3 GLY 6 2HA GLY 6 31.761 8.017 -12.671
50 H GLU 7 H GLU 7 30.037 9.967 -10.266
51 HA GLU 7 HA GLU 7 29.420 7.477 -8.815
52 HB2 GLU 7 1HB GLU 7 30.730 9.271 -7.662
53 HB3 GLU 7 2HB GLU 7 29.324 10.327 -7.806
54 HG2 GLU 7 1HG GLU 7 27.969 8.639 -6.576
55 HG3 GLU 7 2HG GLU 7 29.416 7.662 -6.367
56 H ILE 8 H ILE 8 27.411 6.743 -8.722
57 HA ILE 8 HA ILE 8 25.176 8.578 -9.368
58 HB ILE 8 HB ILE 8 23.945 6.545 -10.059
59 HG12 ILE 8 1HG1 ILE 8 26.596 5.120 -9.702
60 HG13 ILE 8 2HG1 ILE 8 25.261 4.996 -8.555
61 HG21 ILE 8 1HG2 ILE 8 25.478 7.930 -11.600
62 HG22 ILE 8 2HG2 ILE 8 25.025 6.319 -12.157
63 HG23 ILE 8 3HG2 ILE 8 26.621 6.594 -11.457
64 HD11 ILE 8 1HD1 ILE 8 25.183 4.217 -11.484
65 HD12 ILE 8 2HD1 ILE 8 23.795 4.180 -10.397
66 HD13 ILE 8 3HD1 ILE 8 25.169 3.113 -10.109
67 HA PRO 9 HA PRO 9 23.604 7.803 -5.295
68 HB2 PRO 9 1HB PRO 9 20.890 7.795 -5.663
69 HB3 PRO 9 2HB PRO 9 21.873 9.273 -5.674
70 HG2 PRO 9 1HG PRO 9 20.775 7.717 -7.954
71 HG3 PRO 9 2HG PRO 9 20.929 9.472 -7.749
72 HD2 PRO 9 1HD PRO 9 22.658 8.003 -9.273
73 HD3 PRO 9 2HD PRO 9 23.126 9.504 -8.449
74 H PHE 10 H PHE 10 24.496 5.617 -5.281
75 HA PHE 10 HA PHE 10 23.053 3.360 -6.227
76 HB2 PHE 10 1HB PHE 10 25.232 3.639 -4.158
77 HB3 PHE 10 2HB PHE 10 24.590 2.095 -4.687
78 HD1 PHE 10 HD1 PHE 10 26.631 5.009 -5.608
79 HD2 PHE 10 HD2 PHE 10 25.069 1.230 -6.925
80 HE1 PHE 10 HE1 PHE 10 28.223 5.014 -7.510
81 HE2 PHE 10 HE2 PHE 10 26.661 1.235 -8.826
82 HZ PHE 10 HZ PHE 10 28.238 3.127 -9.119
83 HA PRO 11 HA PRO 11 19.967 2.695 -3.135
84 HB2 PRO 11 1HB PRO 11 20.889 -0.119 -2.831
85 HB3 PRO 11 2HB PRO 11 19.282 0.505 -3.249
86 HG2 PRO 11 1HG PRO 11 20.850 -0.632 -5.070
87 HG3 PRO 11 2HG PRO 11 19.796 0.737 -5.469
88 HD2 PRO 11 1HD PRO 11 22.760 0.702 -5.068
89 HD3 PRO 11 2HD PRO 11 21.781 1.687 -6.179
90 HA PRO 12 HA PRO 12 21.747 3.255 0.850
91 HB2 PRO 12 1HB PRO 12 20.228 1.494 2.452
92 HB3 PRO 12 2HB PRO 12 19.850 3.187 2.093
93 HG2 PRO 12 1HG PRO 12 18.790 0.715 0.860
94 HG3 PRO 12 2HG PRO 12 17.992 2.271 1.158
95 HD2 PRO 12 1HD PRO 12 18.782 1.564 -1.319
96 HD3 PRO 12 2HD PRO 12 18.870 3.253 -0.766
97 H THR 13 H THR 13 20.811 -0.192 0.978
98 HA THR 13 HA THR 13 23.050 -1.022 2.429
99 HB THR 13 HB THR 13 21.029 -2.368 2.253
100 HG1 THR 13 HG1 THR 13 22.075 -4.285 2.112
101 HG21 THR 13 1HG2 THR 13 20.535 -3.594 0.170
102 HG22 THR 13 2HG2 THR 13 21.881 -2.780 -0.627
103 HG23 THR 13 3HG2 THR 13 20.481 -1.850 -0.093
104 H SER 14 H SER 14 23.012 -0.080 -0.865
105 HA SER 14 HA SER 14 24.897 -2.108 -1.781
106 HB2 SER 14 1HB SER 14 23.838 0.335 -3.225
107 HB3 SER 14 2HB SER 14 24.721 -1.007 -3.945
108 HG SER 14 HG SER 14 22.920 -2.088 -3.998
109 H ILE 15 H ILE 15 24.782 1.413 -1.435
110 HA ILE 15 HA ILE 15 27.570 1.828 -1.815
111 HB ILE 15 HB ILE 15 25.907 3.630 -2.075
112 HG12 ILE 15 1HG1 ILE 15 27.800 4.307 0.181
113 HG13 ILE 15 2HG1 ILE 15 28.360 4.011 -1.465
114 HG21 ILE 15 1HG2 ILE 15 24.977 4.708 -0.048
115 HG22 ILE 15 2HG2 ILE 15 25.664 3.419 0.939
116 HG23 ILE 15 3HG2 ILE 15 24.400 3.054 -0.235
117 HD11 ILE 15 1HD1 ILE 15 26.593 5.759 -2.175
118 HD12 ILE 15 2HD1 ILE 15 28.055 6.352 -1.389
119 HD13 ILE 15 3HD1 ILE 15 26.556 6.213 -0.472
120 H LEU 16 H LEU 16 25.561 1.093 1.001
121 HA LEU 16 HA LEU 16 27.564 1.524 2.968
122 HB2 LEU 16 1HB LEU 16 24.943 0.148 2.819
123 HB3 LEU 16 2HB LEU 16 26.028 -0.457 4.059
124 HG LEU 16 HG LEU 16 24.520 1.329 4.888
125 HD11 LEU 16 1HD1 LEU 16 27.006 0.917 5.623
126 HD12 LEU 16 2HD1 LEU 16 26.129 2.323 6.227
127 HD13 LEU 16 3HD1 LEU 16 27.276 2.503 4.899
128 HD21 LEU 16 1HD2 LEU 16 26.055 3.124 2.982
129 HD22 LEU 16 2HD2 LEU 16 24.875 3.657 4.178
130 HD23 LEU 16 3HD2 LEU 16 24.360 2.667 2.814
131 H LEU 17 H LEU 17 26.757 -1.247 0.918
132 HA LEU 17 HA LEU 17 28.392 -3.144 2.257
133 HB2 LEU 17 1HB LEU 17 26.562 -3.634 0.576
134 HB3 LEU 17 2HB LEU 17 27.695 -3.151 -0.685
135 HG LEU 17 HG LEU 17 28.576 -5.173 1.351
136 HD11 LEU 17 1HD1 LEU 17 26.968 -5.857 -1.127
137 HD12 LEU 17 2HD1 LEU 17 26.324 -5.901 0.515
138 HD13 LEU 17 3HD1 LEU 17 27.630 -6.992 0.051
139 HD21 LEU 17 1HD2 LEU 17 29.634 -6.027 -0.894
140 HD22 LEU 17 2HD2 LEU 17 30.311 -4.596 -0.116
141 HD23 LEU 17 3HD2 LEU 17 29.220 -4.420 -1.491
142 H LEU 18 H LEU 18 28.956 -1.045 -0.537
143 HA LEU 18 HA LEU 18 31.583 -1.874 -1.115
144 HB2 LEU 18 1HB LEU 18 30.184 -0.446 -2.606
145 HB3 LEU 18 2HB LEU 18 30.408 0.893 -1.481
146 HG LEU 18 HG LEU 18 32.912 0.570 -1.766
147 HD11 LEU 18 1HD1 LEU 18 33.490 -0.589 -3.975
148 HD12 LEU 18 2HD1 LEU 18 31.873 -1.291 -3.912
149 HD13 LEU 18 3HD1 LEU 18 33.039 -1.647 -2.638
150 HD21 LEU 18 1HD2 LEU 18 31.114 1.372 -4.061
151 HD22 LEU 18 2HD2 LEU 18 32.864 1.575 -4.134
152 HD23 LEU 18 3HD2 LEU 18 31.929 2.419 -2.899
153 H LEU 19 H LEU 19 30.322 0.642 1.050
154 HA LEU 19 HA LEU 19 32.768 1.739 1.877
155 HB2 LEU 19 1HB LEU 19 30.521 2.684 2.401
156 HB3 LEU 19 2HB LEU 19 30.274 1.373 3.554
157 HG LEU 19 HG LEU 19 32.420 2.111 4.692
158 HD11 LEU 19 1HD1 LEU 19 32.071 4.310 2.658
159 HD12 LEU 19 2HD1 LEU 19 33.531 3.409 3.068
160 HD13 LEU 19 3HD1 LEU 19 32.897 4.615 4.187
161 HD21 LEU 19 1HD2 LEU 19 30.010 3.934 4.522
162 HD22 LEU 19 2HD2 LEU 19 31.302 4.178 5.698
163 HD23 LEU 19 3HD2 LEU 19 30.346 2.696 5.733
164 H ALA 20 H ALA 20 30.997 -1.109 3.014
165 HA ALA 20 HA ALA 20 32.532 -1.597 5.333
166 HB1 ALA 20 1HB ALA 20 30.442 -2.732 5.086
167 HB2 ALA 20 2HB ALA 20 31.696 -3.971 5.053
168 HB3 ALA 20 3HB ALA 20 30.938 -3.443 3.550
169 H CYS 21 H CYS 21 32.865 -2.804 2.010
170 HA CYS 21 HA CYS 21 35.006 -4.572 2.497
171 HB2 CYS 21 1HB CYS 21 34.257 -3.059 -0.015
172 HB3 CYS 21 2HB CYS 21 35.434 -4.371 0.048
173 HG CYS 21 HG CYS 21 32.368 -4.705 0.483
174 H ILE 22 H ILE 22 34.983 -1.178 1.443
175 HA ILE 22 HA ILE 22 37.754 -0.917 1.045
176 HB ILE 22 HB ILE 22 35.759 1.206 1.886
177 HG12 ILE 22 1HG1 ILE 22 36.759 0.468 -0.878
178 HG13 ILE 22 2HG1 ILE 22 35.232 -0.109 -0.212
179 HG21 ILE 22 1HG2 ILE 22 37.353 2.774 0.854
180 HG22 ILE 22 2HG2 ILE 22 38.455 1.442 0.509
181 HG23 ILE 22 3HG2 ILE 22 38.122 1.902 2.179
182 HD11 ILE 22 1HD1 ILE 22 36.008 2.797 -0.597
183 HD12 ILE 22 2HD1 ILE 22 34.490 2.231 0.100
184 HD13 ILE 22 3HD1 ILE 22 34.864 1.895 -1.591
185 H PHE 23 H PHE 23 35.759 -0.423 3.938
186 HA PHE 23 HA PHE 23 37.736 0.721 5.574
187 HB2 PHE 23 1HB PHE 23 35.308 0.650 6.093
188 HB3 PHE 23 2HB PHE 23 35.451 -1.069 6.410
189 HD1 PHE 23 HD1 PHE 23 36.389 2.315 7.575
190 HD2 PHE 23 HD2 PHE 23 36.398 -1.886 8.472
191 HE1 PHE 23 HE1 PHE 23 37.009 2.817 9.923
192 HE2 PHE 23 HE2 PHE 23 37.018 -1.384 10.820
193 HZ PHE 23 HZ PHE 23 37.324 0.969 11.545
194 H LEU 24 H LEU 24 36.796 -2.668 5.094
195 HA LEU 24 HA LEU 24 38.464 -3.787 7.061
196 HB2 LEU 24 1HB LEU 24 36.577 -4.817 5.489
197 HB3 LEU 24 2HB LEU 24 37.962 -5.261 4.505
198 HG LEU 24 HG LEU 24 37.425 -7.103 5.979
199 HD11 LEU 24 1HD1 LEU 24 39.537 -7.525 6.918
200 HD12 LEU 24 2HD1 LEU 24 39.810 -5.825 7.298
201 HD13 LEU 24 3HD1 LEU 24 39.883 -6.377 5.625
202 HD21 LEU 24 1HD2 LEU 24 36.359 -5.419 7.687
203 HD22 LEU 24 2HD2 LEU 24 37.967 -5.437 8.413
204 HD23 LEU 24 3HD2 LEU 24 37.049 -6.935 8.268
205 H ILE 25 H ILE 25 39.053 -3.092 3.634
206 HA ILE 25 HA ILE 25 41.607 -4.287 3.483
207 HB ILE 25 HB ILE 25 40.511 -1.955 1.884
208 HG12 ILE 25 1HG1 ILE 25 40.532 -4.919 1.244
209 HG13 ILE 25 2HG1 ILE 25 39.128 -4.065 1.882
210 HG21 ILE 25 1HG2 ILE 25 42.735 -3.932 1.272
211 HG22 ILE 25 2HG2 ILE 25 42.963 -2.230 1.672
212 HG23 ILE 25 3HG2 ILE 25 42.140 -2.681 0.180
213 HD11 ILE 25 1HD1 ILE 25 38.964 -4.193 -0.554
214 HD12 ILE 25 2HD1 ILE 25 40.559 -3.459 -0.721
215 HD13 ILE 25 3HD1 ILE 25 39.218 -2.517 -0.066
216 H LYS 26 H LYS 26 40.618 -0.956 4.248
217 HA LYS 26 HA LYS 26 43.201 0.165 4.200
218 HB2 LYS 26 1HB LYS 26 40.703 1.022 5.672
219 HB3 LYS 26 2HB LYS 26 42.167 1.999 5.555
220 HG2 LYS 26 1HG LYS 26 42.001 2.052 3.130
221 HG3 LYS 26 2HG LYS 26 40.625 0.947 3.166
222 HD2 LYS 26 1HD LYS 26 39.749 3.179 2.906
223 HD3 LYS 26 2HD LYS 26 39.394 2.661 4.553
224 HE2 LYS 26 1HE LYS 26 41.120 3.994 5.470
225 HE3 LYS 26 2HE LYS 26 41.902 4.208 3.905
226 HZ1 LYS 26 1HZ LYS 26 40.425 6.083 4.896
227 HZ2 LYS 26 2HZ LYS 26 39.147 5.155 4.269
228 HZ3 LYS 26 3HZ LYS 26 40.361 5.741 3.235
229 H ILE 27 H ILE 27 41.303 -1.199 6.881
230 HA ILE 27 HA ILE 27 43.229 -0.497 8.861
231 HB ILE 27 HB ILE 27 40.850 -0.885 9.384
232 HG12 ILE 27 1HG1 ILE 27 41.301 -2.315 11.433
233 HG13 ILE 27 2HG1 ILE 27 42.927 -2.571 10.798
234 HG21 ILE 27 1HG2 ILE 27 40.398 -2.808 7.962
235 HG22 ILE 27 2HG2 ILE 27 40.069 -3.230 9.640
236 HG23 ILE 27 3HG2 ILE 27 41.551 -3.789 8.868
237 HD11 ILE 27 1HD1 ILE 27 43.486 -0.281 10.976
238 HD12 ILE 27 2HD1 ILE 27 42.596 -0.620 12.461
239 HD13 ILE 27 3HD1 ILE 27 41.797 0.207 11.123
240 H LEU 28 H LEU 28 42.716 -3.429 6.938
241 HA LEU 28 HA LEU 28 44.580 -5.070 8.258
242 HB2 LEU 28 1HB LEU 28 42.947 -5.848 6.542
243 HB3 LEU 28 2HB LEU 28 43.920 -5.055 5.304
244 HG LEU 28 HG LEU 28 45.888 -6.436 6.112
245 HD11 LEU 28 1HD1 LEU 28 43.649 -7.698 7.705
246 HD12 LEU 28 2HD1 LEU 28 45.196 -7.092 8.297
247 HD13 LEU 28 3HD1 LEU 28 45.139 -8.565 7.329
248 HD21 LEU 28 1HD2 LEU 28 44.794 -7.109 4.086
249 HD22 LEU 28 2HD2 LEU 28 43.413 -7.758 4.972
250 HD23 LEU 28 3HD2 LEU 28 44.977 -8.571 5.057
251 H ALA 29 H ALA 29 44.974 -2.741 5.621
252 HA ALA 29 HA ALA 29 47.664 -3.204 5.027
253 HB1 ALA 29 1HB ALA 29 45.900 -1.691 3.862
254 HB2 ALA 29 2HB ALA 29 47.598 -1.215 3.819
255 HB3 ALA 29 3HB ALA 29 46.495 -0.443 4.958
256 H ALA 30 H ALA 30 46.257 -1.538 7.769
257 HA ALA 30 HA ALA 30 48.325 0.189 8.480
258 HB1 ALA 30 1HB ALA 30 46.785 -1.385 10.530
259 HB2 ALA 30 2HB ALA 30 45.997 -0.144 9.556
260 HB3 ALA 30 3HB ALA 30 47.343 0.287 10.611
261 H SER 31 H SER 31 47.954 -3.281 9.141
262 HA SER 31 HA SER 31 50.161 -3.637 10.829
263 HB2 SER 31 1HB SER 31 48.442 -5.379 10.292
264 HB3 SER 31 2HB SER 31 49.189 -5.566 8.708
265 HG SER 31 HG SER 31 50.389 -5.964 11.256
266 H ALA 32 H ALA 32 49.959 -3.554 7.288
267 HA ALA 32 HA ALA 32 52.634 -4.253 6.743
268 HB1 ALA 32 1HB ALA 32 52.205 -3.598 4.548
269 HB2 ALA 32 2HB ALA 32 51.133 -2.288 5.042
270 HB3 ALA 32 3HB ALA 32 50.585 -3.962 5.144
271 H LEU 33 H LEU 33 51.103 -1.110 7.380
272 HA LEU 33 HA LEU 33 53.312 0.517 6.762
273 HB2 LEU 33 1HB LEU 33 50.988 1.338 7.137
274 HB3 LEU 33 2HB LEU 33 51.191 1.026 8.861
275 HG LEU 33 HG LEU 33 53.230 2.537 8.786
276 HD11 LEU 33 1HD1 LEU 33 53.142 4.179 6.821
277 HD12 LEU 33 2HD1 LEU 33 52.108 2.998 6.016
278 HD13 LEU 33 3HD1 LEU 33 53.760 2.567 6.461
279 HD21 LEU 33 1HD2 LEU 33 51.825 4.635 8.661
280 HD22 LEU 33 2HD2 LEU 33 51.159 3.381 9.707
281 HD23 LEU 33 3HD2 LEU 33 50.489 3.633 8.095
282 H TRP 34 H TRP 34 52.370 -1.097 9.771
283 HA TRP 34 HA TRP 34 54.339 0.036 11.437
284 HB2 TRP 34 1HB TRP 34 52.345 -1.261 12.194
285 HB3 TRP 34 2HB TRP 34 53.136 -2.724 11.638
286 HD1 TRP 34 HD1 TRP 34 53.610 0.111 14.201
287 HE1 TRP 34 HE1 TRP 34 54.962 -0.817 16.189
288 HE3 TRP 34 HE3 TRP 34 54.659 -4.570 12.447
289 HZ2 TRP 34 HZ2 TRP 34 56.312 -3.229 16.939
290 HZ3 TRP 34 HZ3 TRP 34 55.975 -6.158 13.815
291 HH2 TRP 34 HH2 TRP 34 56.802 -5.498 16.055
292 H ALA 35 H ALA 35 54.355 -2.932 9.490
293 HA ALA 35 HA ALA 35 56.890 -3.871 10.276
294 HB1 ALA 35 1HB ALA 35 56.818 -5.242 8.265
295 HB2 ALA 35 2HB ALA 35 55.542 -4.228 7.589
296 HB3 ALA 35 3HB ALA 35 55.223 -5.214 9.017
297 H ALA 36 H ALA 36 55.925 -1.680 7.672
298 HA ALA 36 HA ALA 36 58.435 -1.370 6.450
299 HB1 ALA 36 1HB ALA 36 56.453 -0.587 5.338
300 HB2 ALA 36 2HB ALA 36 57.491 0.808 5.632
301 HB3 ALA 36 3HB ALA 36 56.088 0.522 6.660
302 H ALA 37 H ALA 37 57.116 0.067 9.368
303 HA ALA 37 HA ALA 37 58.739 2.323 9.619
304 HB1 ALA 37 1HB ALA 37 56.836 1.814 11.105
305 HB2 ALA 37 2HB ALA 37 58.301 2.174 12.019
306 HB3 ALA 37 3HB ALA 37 57.766 0.504 11.833
307 H TRP 38 H TRP 38 59.495 -1.066 10.248
308 HA TRP 38 HA TRP 38 61.779 -0.801 11.813
309 HB2 TRP 38 1HB TRP 38 61.035 -2.813 9.703
310 HB3 TRP 38 2HB TRP 38 62.509 -2.945 10.643
311 HD1 TRP 38 HD1 TRP 38 58.885 -3.735 10.710
312 HE1 TRP 38 HE1 TRP 38 58.232 -4.727 12.997
313 HE3 TRP 38 HE3 TRP 38 63.119 -2.691 13.365
314 HZ2 TRP 38 HZ2 TRP 38 59.357 -5.037 15.613
315 HZ3 TRP 38 HZ3 TRP 38 63.303 -3.343 15.745
316 HH2 TRP 38 HH2 TRP 38 61.432 -4.513 16.874
317 H HIS 39 H HIS 39 61.409 -0.430 8.318
318 HA HIS 39 HA HIS 39 64.254 0.398 8.158
319 HB2 HIS 39 1HB HIS 39 63.661 -1.642 6.855
320 HB3 HIS 39 2HB HIS 39 62.504 -0.687 5.949
321 HD1 HIS 39 HD1 HIS 39 66.232 -0.506 6.774
322 HD2 HIS 39 HD2 HIS 39 63.615 0.283 3.626
323 HE1 HIS 39 HE1 HIS 39 67.662 0.246 4.825
324 H GLY 40 H GLY 40 64.739 2.320 7.170
325 HA2 GLY 40 1HA GLY 40 62.551 4.227 6.978
326 HA3 GLY 40 2HA GLY 40 64.269 4.597 6.910
327 H GLN 41 H GLN 41 61.834 2.799 5.006
328 HA GLN 41 HA GLN 41 63.153 2.953 2.537
329 HB2 GLN 41 1HB GLN 41 60.194 2.819 3.157
330 HB3 GLN 41 2HB GLN 41 60.888 2.584 1.553
331 HG2 GLN 41 1HG GLN 41 62.195 0.684 2.356
332 HG3 GLN 41 2HG GLN 41 61.608 0.942 3.996
333 HE21 GLN 41 1HE2 GLN 41 61.183 -1.536 2.621
334 HE22 GLN 41 2HE2 GLN 41 59.519 -1.705 2.332
335 H LYS 42 H LYS 42 60.964 5.234 4.128
336 HA LYS 42 HA LYS 42 60.389 7.395 3.641
337 HB2 LYS 42 1HB LYS 42 62.861 7.643 3.841
338 HB3 LYS 42 2HB LYS 42 62.997 7.390 2.101
339 HG2 LYS 42 1HG LYS 42 62.994 9.754 2.424
340 HG3 LYS 42 2HG LYS 42 61.397 9.345 1.806
341 HD2 LYS 42 1HD LYS 42 61.674 9.309 4.775
342 HD3 LYS 42 2HD LYS 42 61.822 10.887 4.013
343 HE2 LYS 42 1HE LYS 42 59.556 9.226 3.050
344 HE3 LYS 42 2HE LYS 42 59.445 9.787 4.717
345 HZ1 LYS 42 1HZ LYS 42 60.325 11.756 2.776
346 HZ2 LYS 42 2HZ LYS 42 59.259 11.919 4.088
347 HZ3 LYS 42 3HZ LYS 42 58.713 11.250 2.625
348 HA PRO 43 HA PRO 43 58.789 5.840 -0.539
349 HB2 PRO 43 1HB PRO 43 56.375 7.133 0.656
350 HB3 PRO 43 2HB PRO 43 56.504 5.629 -0.279
351 HG2 PRO 43 1HG PRO 43 56.164 5.595 2.355
352 HG3 PRO 43 2HG PRO 43 57.180 4.397 1.532
353 HD2 PRO 43 1HD PRO 43 58.003 6.710 3.220
354 HD3 PRO 43 2HD PRO 43 58.814 5.150 2.966
355 H GLY 44 H GLY 44 58.462 7.126 -2.351
356 HA2 GLY 44 1HA GLY 44 58.115 9.076 -3.589
357 HA3 GLY 44 2HA GLY 44 57.956 9.976 -2.083
358 H THR 45 H THR 45 59.333 11.529 -3.317
359 HA THR 45 HA THR 45 62.098 10.835 -3.766
360 HB THR 45 HB THR 45 60.804 13.571 -3.702
361 HG1 THR 45 HG1 THR 45 60.530 13.264 -5.891
362 HG21 THR 45 1HG2 THR 45 63.297 12.612 -5.127
363 HG22 THR 45 2HG2 THR 45 63.321 13.428 -3.564
364 HG23 THR 45 3HG2 THR 45 62.717 14.272 -4.990
365 H HIS 46 H HIS 46 63.825 11.220 -2.473
366 HA HIS 46 HA HIS 46 63.470 11.495 0.308
367 HB2 HIS 46 1HB HIS 46 65.431 10.433 -0.773
368 HB3 HIS 46 2HB HIS 46 65.961 12.013 -1.319
369 HD1 HIS 46 HD1 HIS 46 65.082 10.349 2.008
370 HD2 HIS 46 HD2 HIS 46 67.755 13.136 0.439
371 HE1 HIS 46 HE1 HIS 46 66.611 11.022 3.909
Start of MODEL 6
1 H ARG 1 3H ARG 1 5.044 2.002 -2.503
2 HA ARG 1 HA ARG 1 5.598 2.478 -5.144
3 HB2 ARG 1 1HB ARG 1 3.264 4.152 -4.167
4 HB3 ARG 1 2HB ARG 1 4.210 4.483 -5.619
5 HG2 ARG 1 1HG ARG 1 3.583 2.238 -6.500
6 HG3 ARG 1 2HG ARG 1 2.560 1.996 -5.084
7 HD2 ARG 1 1HD ARG 1 1.336 4.109 -5.710
8 HD3 ARG 1 2HD ARG 1 2.257 4.130 -7.210
9 HE ARG 1 HE ARG 1 1.212 1.673 -7.300
10 HH11 ARG 1 1HH1 ARG 1 -0.347 4.711 -6.487
11 HH12 ARG 1 2HH1 ARG 1 -1.894 4.185 -7.060
12 HH21 ARG 1 1HH2 ARG 1 -0.804 1.051 -8.022
13 HH22 ARG 1 2HH2 ARG 1 -2.149 2.138 -7.918
14 H SER 2 H SER 2 7.497 2.678 -3.811
15 HA SER 2 HA SER 2 7.849 4.495 -1.719
16 HB2 SER 2 1HB SER 2 9.909 3.624 -3.755
17 HB3 SER 2 2HB SER 2 10.236 4.300 -2.163
18 HG SER 2 HG SER 2 8.807 2.450 -1.455
19 H LEU 3 H LEU 3 7.886 5.038 -5.200
20 HA LEU 3 HA LEU 3 9.187 7.518 -5.265
21 HB2 LEU 3 1HB LEU 3 7.126 6.197 -7.005
22 HB3 LEU 3 2HB LEU 3 7.554 7.876 -7.299
23 HG LEU 3 HG LEU 3 8.858 6.285 -8.691
24 HD11 LEU 3 1HD1 LEU 3 10.716 7.592 -6.712
25 HD12 LEU 3 2HD1 LEU 3 9.734 8.540 -7.828
26 HD13 LEU 3 3HD1 LEU 3 10.923 7.397 -8.452
27 HD21 LEU 3 1HD2 LEU 3 10.148 5.419 -6.090
28 HD22 LEU 3 2HD2 LEU 3 10.517 4.825 -7.709
29 HD23 LEU 3 3HD2 LEU 3 8.959 4.456 -6.968
30 H LEU 4 H LEU 4 5.793 6.712 -4.643
31 HA LEU 4 HA LEU 4 4.762 9.327 -4.584
32 HB2 LEU 4 1HB LEU 4 3.635 6.919 -4.403
33 HB3 LEU 4 2HB LEU 4 3.739 7.255 -2.682
34 HG LEU 4 HG LEU 4 1.570 7.960 -3.491
35 HD11 LEU 4 1HD1 LEU 4 1.491 10.131 -2.617
36 HD12 LEU 4 2HD1 LEU 4 3.079 10.551 -3.261
37 HD13 LEU 4 3HD1 LEU 4 2.947 9.463 -1.879
38 HD21 LEU 4 1HD2 LEU 4 1.201 9.322 -5.360
39 HD22 LEU 4 2HD2 LEU 4 2.527 8.286 -5.887
40 HD23 LEU 4 3HD2 LEU 4 2.855 9.936 -5.358
41 H GLU 5 H GLU 5 6.383 7.396 -2.102
42 HA GLU 5 HA GLU 5 5.813 9.004 0.126
43 HB2 GLU 5 1HB GLU 5 6.796 6.730 0.230
44 HB3 GLU 5 2HB GLU 5 8.316 7.384 -0.379
45 HG2 GLU 5 1HG GLU 5 8.500 7.290 2.016
46 HG3 GLU 5 2HG GLU 5 8.311 8.984 1.577
47 H GLY 6 H GLY 6 8.293 9.323 -2.370
48 HA2 GLY 6 1HA GLY 6 8.940 11.583 -2.990
49 HA3 GLY 6 2HA GLY 6 8.890 12.016 -1.290
50 H GLU 7 H GLU 7 10.357 8.972 -2.137
51 HA GLU 7 HA GLU 7 13.048 10.190 -1.856
52 HB2 GLU 7 1HB GLU 7 12.066 7.473 -0.963
53 HB3 GLU 7 2HB GLU 7 13.759 7.965 -0.966
54 HG2 GLU 7 1HG GLU 7 13.011 8.401 1.240
55 HG3 GLU 7 2HG GLU 7 13.024 9.970 0.446
56 H ILE 8 H ILE 8 14.740 9.270 -3.094
57 HA ILE 8 HA ILE 8 13.781 8.258 -5.663
58 HB ILE 8 HB ILE 8 15.217 10.260 -5.634
59 HG12 ILE 8 1HG1 ILE 8 16.633 7.862 -6.833
60 HG13 ILE 8 2HG1 ILE 8 15.243 8.672 -7.557
61 HG21 ILE 8 1HG2 ILE 8 17.329 8.393 -4.515
62 HG22 ILE 8 2HG2 ILE 8 16.554 9.708 -3.633
63 HG23 ILE 8 3HG2 ILE 8 17.593 10.064 -5.010
64 HD11 ILE 8 1HD1 ILE 8 16.639 10.832 -7.391
65 HD12 ILE 8 2HD1 ILE 8 17.111 9.661 -8.623
66 HD13 ILE 8 3HD1 ILE 8 18.019 9.768 -7.115
67 HA PRO 9 HA PRO 9 15.185 4.122 -4.697
68 HB2 PRO 9 1HB PRO 9 16.113 3.880 -7.512
69 HB3 PRO 9 2HB PRO 9 14.975 2.867 -6.605
70 HG2 PRO 9 1HG PRO 9 14.135 4.548 -8.480
71 HG3 PRO 9 2HG PRO 9 13.200 4.266 -6.999
72 HD2 PRO 9 1HD PRO 9 14.914 6.612 -7.721
73 HD3 PRO 9 2HD PRO 9 13.377 6.569 -6.827
74 H PHE 10 H PHE 10 16.930 4.766 -3.360
75 HA PHE 10 HA PHE 10 19.589 4.658 -4.666
76 HB2 PHE 10 1HB PHE 10 18.900 6.890 -3.660
77 HB3 PHE 10 2HB PHE 10 18.953 6.098 -2.096
78 HD1 PHE 10 HD1 PHE 10 21.029 6.823 -5.119
79 HD2 PHE 10 HD2 PHE 10 20.977 5.950 -0.914
80 HE1 PHE 10 HE1 PHE 10 23.467 7.259 -5.000
81 HE2 PHE 10 HE2 PHE 10 23.415 6.386 -0.794
82 HZ PHE 10 HZ PHE 10 24.660 7.041 -2.836
83 HA PRO 11 HA PRO 11 19.035 0.776 -2.121
84 HB2 PRO 11 1HB PRO 11 21.668 0.430 -3.508
85 HB3 PRO 11 2HB PRO 11 20.399 -0.768 -3.185
86 HG2 PRO 11 1HG PRO 11 20.668 0.323 -5.584
87 HG3 PRO 11 2HG PRO 11 19.068 -0.023 -4.903
88 HD2 PRO 11 1HD PRO 11 20.396 2.598 -5.307
89 HD3 PRO 11 2HD PRO 11 18.665 2.212 -5.207
90 HA PRO 12 HA PRO 12 21.824 3.066 0.779
91 HB2 PRO 12 1HB PRO 12 20.820 1.982 3.105
92 HB3 PRO 12 2HB PRO 12 20.130 3.400 2.292
93 HG2 PRO 12 1HG PRO 12 19.242 0.563 2.216
94 HG3 PRO 12 2HG PRO 12 18.278 2.051 2.291
95 HD2 PRO 12 1HD PRO 12 18.605 0.677 -0.022
96 HD3 PRO 12 2HD PRO 12 18.444 2.446 0.015
97 H THR 13 H THR 13 20.934 -0.359 1.291
98 HA THR 13 HA THR 13 23.278 -1.067 2.698
99 HB THR 13 HB THR 13 22.622 -3.381 2.253
100 HG1 THR 13 HG1 THR 13 21.778 -3.654 0.356
101 HG21 THR 13 1HG2 THR 13 21.414 -2.057 3.975
102 HG22 THR 13 2HG2 THR 13 20.385 -3.286 3.236
103 HG23 THR 13 3HG2 THR 13 20.224 -1.596 2.756
104 H SER 14 H SER 14 22.856 -0.469 -0.672
105 HA SER 14 HA SER 14 24.820 -2.425 -1.568
106 HB2 SER 14 1HB SER 14 23.656 -0.148 -3.178
107 HB3 SER 14 2HB SER 14 24.365 -1.644 -3.774
108 HG SER 14 HG SER 14 22.406 -2.395 -3.680
109 H ILE 15 H ILE 15 24.474 1.097 -1.470
110 HA ILE 15 HA ILE 15 27.165 1.765 -2.006
111 HB ILE 15 HB ILE 15 25.209 3.242 -0.228
112 HG12 ILE 15 1HG1 ILE 15 24.209 2.843 -2.423
113 HG13 ILE 15 2HG1 ILE 15 24.663 4.534 -2.273
114 HG21 ILE 15 1HG2 ILE 15 27.767 4.018 -1.632
115 HG22 ILE 15 2HG2 ILE 15 27.369 4.176 0.079
116 HG23 ILE 15 3HG2 ILE 15 26.585 5.218 -1.109
117 HD11 ILE 15 1HD1 ILE 15 26.938 3.333 -3.384
118 HD12 ILE 15 2HD1 ILE 15 25.730 4.282 -4.247
119 HD13 ILE 15 3HD1 ILE 15 25.587 2.528 -4.179
120 H LEU 16 H LEU 16 25.457 0.917 0.983
121 HA LEU 16 HA LEU 16 27.548 1.413 2.811
122 HB2 LEU 16 1HB LEU 16 25.195 0.884 3.443
123 HB3 LEU 16 2HB LEU 16 25.470 -0.786 2.947
124 HG LEU 16 HG LEU 16 27.424 -0.826 4.578
125 HD11 LEU 16 1HD1 LEU 16 27.901 1.444 4.989
126 HD12 LEU 16 2HD1 LEU 16 27.055 0.939 6.452
127 HD13 LEU 16 3HD1 LEU 16 26.201 1.856 5.210
128 HD21 LEU 16 1HD2 LEU 16 25.924 -1.076 6.563
129 HD22 LEU 16 2HD2 LEU 16 25.297 -1.890 5.130
130 HD23 LEU 16 3HD2 LEU 16 24.620 -0.340 5.630
131 H LEU 17 H LEU 17 26.874 -1.342 0.702
132 HA LEU 17 HA LEU 17 28.662 -3.183 1.880
133 HB2 LEU 17 1HB LEU 17 26.882 -3.782 0.241
134 HB3 LEU 17 2HB LEU 17 27.833 -3.008 -1.027
135 HG LEU 17 HG LEU 17 29.744 -4.558 -0.386
136 HD11 LEU 17 1HD1 LEU 17 27.516 -5.661 1.320
137 HD12 LEU 17 2HD1 LEU 17 29.185 -5.316 1.775
138 HD13 LEU 17 3HD1 LEU 17 28.818 -6.704 0.750
139 HD21 LEU 17 1HD2 LEU 17 27.127 -5.696 -1.415
140 HD22 LEU 17 2HD2 LEU 17 28.670 -6.545 -1.518
141 HD23 LEU 17 3HD2 LEU 17 28.444 -5.020 -2.375
142 H LEU 18 H LEU 18 29.067 -0.906 -0.814
143 HA LEU 18 HA LEU 18 31.750 -1.513 -1.412
144 HB2 LEU 18 1HB LEU 18 30.097 0.985 -1.750
145 HB3 LEU 18 2HB LEU 18 31.797 0.935 -2.218
146 HG LEU 18 HG LEU 18 31.159 -1.218 -3.517
147 HD11 LEU 18 1HD1 LEU 18 28.732 -1.042 -4.319
148 HD12 LEU 18 2HD1 LEU 18 28.464 0.018 -2.935
149 HD13 LEU 18 3HD1 LEU 18 28.970 -1.653 -2.682
150 HD21 LEU 18 1HD2 LEU 18 31.606 1.225 -4.361
151 HD22 LEU 18 2HD2 LEU 18 29.863 1.260 -4.627
152 HD23 LEU 18 3HD2 LEU 18 30.857 0.063 -5.456
153 H LEU 19 H LEU 19 30.319 0.785 0.884
154 HA LEU 19 HA LEU 19 32.730 1.946 1.782
155 HB2 LEU 19 1HB LEU 19 30.133 1.496 3.275
156 HB3 LEU 19 2HB LEU 19 31.442 2.544 3.820
157 HG LEU 19 HG LEU 19 30.028 2.862 1.160
158 HD11 LEU 19 1HD1 LEU 19 28.395 3.344 2.839
159 HD12 LEU 19 2HD1 LEU 19 29.043 4.906 2.337
160 HD13 LEU 19 3HD1 LEU 19 29.579 4.174 3.849
161 HD21 LEU 19 1HD2 LEU 19 31.092 5.197 1.451
162 HD22 LEU 19 2HD2 LEU 19 32.174 3.869 1.033
163 HD23 LEU 19 3HD2 LEU 19 32.089 4.447 2.698
164 H ALA 20 H ALA 20 31.046 -1.006 2.754
165 HA ALA 20 HA ALA 20 32.509 -1.502 5.117
166 HB1 ALA 20 1HB ALA 20 31.800 -3.929 4.648
167 HB2 ALA 20 2HB ALA 20 30.969 -3.279 3.234
168 HB3 ALA 20 3HB ALA 20 30.517 -2.736 4.850
169 H CYS 21 H CYS 21 33.012 -2.592 1.769
170 HA CYS 21 HA CYS 21 35.174 -4.319 2.290
171 HB2 CYS 21 1HB CYS 21 34.505 -2.729 -0.198
172 HB3 CYS 21 2HB CYS 21 35.710 -4.015 -0.128
173 HG CYS 21 HG CYS 21 33.819 -5.563 -0.519
174 H ILE 22 H ILE 22 35.107 -0.889 1.366
175 HA ILE 22 HA ILE 22 37.892 -0.552 1.107
176 HB ILE 22 HB ILE 22 35.812 1.502 1.914
177 HG12 ILE 22 1HG1 ILE 22 36.921 0.825 -0.828
178 HG13 ILE 22 2HG1 ILE 22 35.364 0.252 -0.229
179 HG21 ILE 22 1HG2 ILE 22 38.176 2.203 2.304
180 HG22 ILE 22 2HG2 ILE 22 37.403 3.137 1.023
181 HG23 ILE 22 3HG2 ILE 22 38.534 1.847 0.615
182 HD11 ILE 22 1HD1 ILE 22 36.209 3.119 -0.710
183 HD12 ILE 22 2HD1 ILE 22 34.752 2.683 0.182
184 HD13 ILE 22 3HD1 ILE 22 34.916 2.229 -1.514
185 H PHE 23 H PHE 23 35.746 -0.159 3.906
186 HA PHE 23 HA PHE 23 37.626 1.020 5.640
187 HB2 PHE 23 1HB PHE 23 35.172 0.958 5.995
188 HB3 PHE 23 2HB PHE 23 35.284 -0.758 6.326
189 HD1 PHE 23 HD1 PHE 23 36.384 2.599 7.513
190 HD2 PHE 23 HD2 PHE 23 35.814 -1.544 8.495
191 HE1 PHE 23 HE1 PHE 23 36.798 3.109 9.904
192 HE2 PHE 23 HE2 PHE 23 36.231 -1.034 10.886
193 HZ PHE 23 HZ PHE 23 36.722 1.292 11.590
194 H LEU 24 H LEU 24 36.682 -2.380 5.191
195 HA LEU 24 HA LEU 24 38.225 -3.400 7.323
196 HB2 LEU 24 1HB LEU 24 37.308 -4.773 4.786
197 HB3 LEU 24 2HB LEU 24 37.927 -5.593 6.219
198 HG LEU 24 HG LEU 24 35.506 -3.766 6.220
199 HD11 LEU 24 1HD1 LEU 24 35.160 -5.854 4.891
200 HD12 LEU 24 2HD1 LEU 24 34.173 -5.809 6.353
201 HD13 LEU 24 3HD1 LEU 24 35.634 -6.796 6.305
202 HD21 LEU 24 1HD2 LEU 24 35.150 -5.032 8.429
203 HD22 LEU 24 2HD2 LEU 24 36.449 -3.839 8.407
204 HD23 LEU 24 3HD2 LEU 24 36.826 -5.556 8.270
205 H ILE 25 H ILE 25 38.965 -3.042 3.858
206 HA ILE 25 HA ILE 25 41.437 -4.421 4.033
207 HB ILE 25 HB ILE 25 41.905 -3.542 1.797
208 HG12 ILE 25 1HG1 ILE 25 39.324 -1.981 2.122
209 HG13 ILE 25 2HG1 ILE 25 40.930 -1.255 2.165
210 HG21 ILE 25 1HG2 ILE 25 39.022 -4.397 2.185
211 HG22 ILE 25 2HG2 ILE 25 40.408 -5.487 2.127
212 HG23 ILE 25 3HG2 ILE 25 39.959 -4.554 0.699
213 HD11 ILE 25 1HD1 ILE 25 40.309 -0.967 -0.074
214 HD12 ILE 25 2HD1 ILE 25 39.508 -2.536 -0.153
215 HD13 ILE 25 3HD1 ILE 25 41.268 -2.445 -0.129
216 H LYS 26 H LYS 26 40.637 -0.974 4.335
217 HA LYS 26 HA LYS 26 43.271 0.007 4.281
218 HB2 LYS 26 1HB LYS 26 40.797 1.042 5.675
219 HB3 LYS 26 2HB LYS 26 42.323 1.925 5.605
220 HG2 LYS 26 1HG LYS 26 42.253 1.978 3.183
221 HG3 LYS 26 2HG LYS 26 40.838 0.928 3.158
222 HD2 LYS 26 1HD LYS 26 39.985 3.124 2.843
223 HD3 LYS 26 2HD LYS 26 39.655 2.740 4.530
224 HE2 LYS 26 1HE LYS 26 40.597 4.823 4.813
225 HE3 LYS 26 2HE LYS 26 42.070 3.860 4.858
226 HZ1 LYS 26 1HZ LYS 26 42.199 5.766 3.332
227 HZ2 LYS 26 2HZ LYS 26 40.943 5.093 2.406
228 HZ3 LYS 26 3HZ LYS 26 42.429 4.282 2.544
229 H ILE 27 H ILE 27 41.310 -1.253 6.952
230 HA ILE 27 HA ILE 27 43.143 -0.608 9.013
231 HB ILE 27 HB ILE 27 41.102 -2.847 8.933
232 HG12 ILE 27 1HG1 ILE 27 40.865 -0.046 10.068
233 HG13 ILE 27 2HG1 ILE 27 40.248 -0.506 8.485
234 HG21 ILE 27 1HG2 ILE 27 42.417 -1.420 11.269
235 HG22 ILE 27 2HG2 ILE 27 42.783 -3.065 10.751
236 HG23 ILE 27 3HG2 ILE 27 41.185 -2.677 11.387
237 HD11 ILE 27 1HD1 ILE 27 38.780 -0.623 10.771
238 HD12 ILE 27 2HD1 ILE 27 39.401 -2.270 10.723
239 HD13 ILE 27 3HD1 ILE 27 38.473 -1.636 9.364
240 H LEU 28 H LEU 28 42.672 -3.598 7.135
241 HA LEU 28 HA LEU 28 44.596 -5.138 8.498
242 HB2 LEU 28 1HB LEU 28 43.676 -5.364 5.622
243 HB3 LEU 28 2HB LEU 28 44.538 -6.611 6.523
244 HG LEU 28 HG LEU 28 41.860 -5.453 7.351
245 HD11 LEU 28 1HD1 LEU 28 42.623 -7.934 5.805
246 HD12 LEU 28 2HD1 LEU 28 41.439 -6.702 5.373
247 HD13 LEU 28 3HD1 LEU 28 41.102 -7.824 6.691
248 HD21 LEU 28 1HD2 LEU 28 42.918 -6.298 9.291
249 HD22 LEU 28 2HD2 LEU 28 43.667 -7.628 8.407
250 HD23 LEU 28 3HD2 LEU 28 41.934 -7.651 8.733
251 H ALA 29 H ALA 29 44.913 -2.934 5.764
252 HA ALA 29 HA ALA 29 47.411 -3.680 4.820
253 HB1 ALA 29 1HB ALA 29 45.799 -1.964 3.851
254 HB2 ALA 29 2HB ALA 29 47.513 -1.561 3.761
255 HB3 ALA 29 3HB ALA 29 46.495 -0.813 4.990
256 H ALA 30 H ALA 30 46.626 -1.652 7.615
257 HA ALA 30 HA ALA 30 49.425 -1.819 8.454
258 HB1 ALA 30 1HB ALA 30 47.970 0.815 8.125
259 HB2 ALA 30 2HB ALA 30 49.332 0.253 7.156
260 HB3 ALA 30 3HB ALA 30 49.555 0.609 8.869
261 H SER 31 H SER 31 47.142 -3.107 9.507
262 HA SER 31 HA SER 31 45.867 -1.782 11.617
263 HB2 SER 31 1HB SER 31 45.336 -3.981 12.477
264 HB3 SER 31 2HB SER 31 45.239 -4.025 10.720
265 HG SER 31 HG SER 31 47.214 -5.051 12.453
266 H ALA 32 H ALA 32 49.005 -3.419 11.501
267 HA ALA 32 HA ALA 32 49.513 -3.437 14.278
268 HB1 ALA 32 1HB ALA 32 51.386 -3.389 11.906
269 HB2 ALA 32 2HB ALA 32 50.859 -4.799 12.825
270 HB3 ALA 32 3HB ALA 32 51.922 -3.607 13.572
271 H LEU 33 H LEU 33 50.367 -1.072 11.752
272 HA LEU 33 HA LEU 33 51.879 0.645 13.389
273 HB2 LEU 33 1HB LEU 33 51.825 0.713 10.899
274 HB3 LEU 33 2HB LEU 33 50.205 1.405 10.987
275 HG LEU 33 HG LEU 33 51.188 3.247 12.433
276 HD11 LEU 33 1HD1 LEU 33 53.683 1.764 11.622
277 HD12 LEU 33 2HD1 LEU 33 53.231 2.379 13.213
278 HD13 LEU 33 3HD1 LEU 33 53.736 3.497 11.948
279 HD21 LEU 33 1HD2 LEU 33 52.226 2.897 9.603
280 HD22 LEU 33 2HD2 LEU 33 52.199 4.427 10.480
281 HD23 LEU 33 3HD2 LEU 33 50.685 3.621 10.066
282 H TRP 34 H TRP 34 48.409 0.524 12.714
283 HA TRP 34 HA TRP 34 47.710 2.986 13.897
284 HB2 TRP 34 1HB TRP 34 46.265 1.604 12.400
285 HB3 TRP 34 2HB TRP 34 46.035 0.482 13.725
286 HD1 TRP 34 HD1 TRP 34 44.233 1.046 15.478
287 HE1 TRP 34 HE1 TRP 34 42.547 2.973 15.764
288 HE3 TRP 34 HE3 TRP 34 46.010 4.300 11.967
289 HZ2 TRP 34 HZ2 TRP 34 42.019 5.558 14.649
290 HZ3 TRP 34 HZ3 TRP 34 44.901 6.481 11.600
291 HH2 TRP 34 HH2 TRP 34 42.910 7.116 12.933
292 H ALA 35 H ALA 35 47.780 -0.309 15.228
293 HA ALA 35 HA ALA 35 46.752 0.377 17.774
294 HB1 ALA 35 1HB ALA 35 47.995 -1.833 18.414
295 HB2 ALA 35 2HB ALA 35 48.270 -1.964 16.676
296 HB3 ALA 35 3HB ALA 35 46.623 -1.896 17.307
297 H ALA 36 H ALA 36 50.088 0.000 16.608
298 HA ALA 36 HA ALA 36 51.348 0.367 19.105
299 HB1 ALA 36 1HB ALA 36 52.276 0.676 16.259
300 HB2 ALA 36 2HB ALA 36 52.658 -0.606 17.408
301 HB3 ALA 36 3HB ALA 36 53.345 1.005 17.622
302 H ALA 37 H ALA 37 50.226 2.675 16.688
303 HA ALA 37 HA ALA 37 51.744 4.894 17.554
304 HB1 ALA 37 1HB ALA 37 49.117 4.690 16.080
305 HB2 ALA 37 2HB ALA 37 50.717 5.000 15.404
306 HB3 ALA 37 3HB ALA 37 49.927 6.226 16.395
307 H TRP 38 H TRP 38 48.302 4.140 18.186
308 HA TRP 38 HA TRP 38 47.957 6.253 20.044
309 HB2 TRP 38 1HB TRP 38 46.403 3.708 19.592
310 HB3 TRP 38 2HB TRP 38 45.900 4.968 20.702
311 HD1 TRP 38 HD1 TRP 38 45.806 3.956 17.123
312 HE1 TRP 38 HE1 TRP 38 44.652 5.781 15.717
313 HE3 TRP 38 HE3 TRP 38 45.628 7.732 20.555
314 HZ2 TRP 38 HZ2 TRP 38 43.764 8.489 16.009
315 HZ3 TRP 38 HZ3 TRP 38 44.624 9.918 19.969
316 HH2 TRP 38 HH2 TRP 38 43.694 10.303 17.705
317 H HIS 39 H HIS 39 48.647 2.795 20.465
318 HA HIS 39 HA HIS 39 49.379 3.354 23.282
319 HB2 HIS 39 1HB HIS 39 47.955 0.935 22.170
320 HB3 HIS 39 2HB HIS 39 48.595 1.050 23.798
321 HD1 HIS 39 HD1 HIS 39 45.599 0.567 23.378
322 HD2 HIS 39 HD2 HIS 39 47.264 4.366 23.796
323 HE1 HIS 39 HE1 HIS 39 43.731 2.085 24.161
324 H GLY 40 H GLY 40 51.163 2.265 24.088
325 HA2 GLY 40 1HA GLY 40 53.059 1.306 22.114
326 HA3 GLY 40 2HA GLY 40 53.352 1.502 23.841
327 H GLN 41 H GLN 41 54.434 -0.690 23.170
328 HA GLN 41 HA GLN 41 52.498 -2.897 23.214
329 HB2 GLN 41 1HB GLN 41 54.389 -2.918 21.577
330 HB3 GLN 41 2HB GLN 41 55.509 -3.016 22.937
331 HG2 GLN 41 1HG GLN 41 55.172 -5.267 22.246
332 HG3 GLN 41 2HG GLN 41 54.178 -5.073 23.688
333 HE21 GLN 41 1HE2 GLN 41 52.078 -5.831 23.449
334 HE22 GLN 41 2HE2 GLN 41 51.245 -5.942 21.974
335 H LYS 42 H LYS 42 51.874 -3.613 25.135
336 HA LYS 42 HA LYS 42 53.878 -3.851 27.294
337 HB2 LYS 42 1HB LYS 42 51.029 -2.868 27.606
338 HB3 LYS 42 2HB LYS 42 52.167 -3.161 28.923
339 HG2 LYS 42 1HG LYS 42 53.734 -1.524 27.700
340 HG3 LYS 42 2HG LYS 42 52.315 -1.058 26.763
341 HD2 LYS 42 1HD LYS 42 51.113 -0.575 28.898
342 HD3 LYS 42 2HD LYS 42 52.602 -0.922 29.778
343 HE2 LYS 42 1HE LYS 42 53.658 0.841 28.146
344 HE3 LYS 42 2HE LYS 42 51.989 1.369 27.933
345 HZ1 LYS 42 1HZ LYS 42 52.955 0.933 30.659
346 HZ2 LYS 42 2HZ LYS 42 51.830 2.063 30.075
347 HZ3 LYS 42 3HZ LYS 42 53.493 2.320 29.844
348 HA PRO 43 HA PRO 43 51.597 -7.807 26.700
349 HB2 PRO 43 1HB PRO 43 53.696 -9.510 26.710
350 HB3 PRO 43 2HB PRO 43 53.241 -8.587 25.262
351 HG2 PRO 43 1HG PRO 43 55.451 -8.120 27.182
352 HG3 PRO 43 2HG PRO 43 55.402 -7.872 25.429
353 HD2 PRO 43 1HD PRO 43 55.110 -5.855 27.330
354 HD3 PRO 43 2HD PRO 43 54.599 -5.743 25.633
355 H GLY 44 H GLY 44 51.842 -9.951 28.046
356 HA2 GLY 44 1HA GLY 44 52.413 -10.985 30.120
357 HA3 GLY 44 2HA GLY 44 52.778 -9.398 30.781
358 H THR 45 H THR 45 50.146 -8.393 29.548
359 HA THR 45 HA THR 45 48.317 -9.591 31.552
360 HB THR 45 HB THR 45 47.311 -7.392 31.848
361 HG1 THR 45 HG1 THR 45 49.367 -6.406 30.178
362 HG21 THR 45 1HG2 THR 45 50.252 -6.854 32.068
363 HG22 THR 45 2HG2 THR 45 49.544 -8.162 33.016
364 HG23 THR 45 3HG2 THR 45 48.964 -6.509 33.223
365 H HIS 46 H HIS 46 46.024 -9.393 31.009
366 HA HIS 46 HA HIS 46 45.327 -8.877 28.238
367 HB2 HIS 46 1HB HIS 46 45.140 -11.648 29.422
368 HB3 HIS 46 2HB HIS 46 44.352 -11.152 27.937
369 HD1 HIS 46 HD1 HIS 46 47.674 -12.067 29.378
370 HD2 HIS 46 HD2 HIS 46 46.134 -10.810 25.714
371 HE1 HIS 46 HE1 HIS 46 49.501 -12.444 27.668
Start of MODEL 7
1 H ARG 1 3H ARG 1 31.341 5.842 -10.824
2 HA ARG 1 HA ARG 1 29.314 5.245 -11.846
3 HB2 ARG 1 1HB ARG 1 28.450 6.447 -13.792
4 HB3 ARG 1 2HB ARG 1 28.659 7.558 -12.442
5 HG2 ARG 1 1HG ARG 1 30.898 8.194 -13.410
6 HG3 ARG 1 2HG ARG 1 30.498 7.223 -14.828
7 HD2 ARG 1 1HD ARG 1 28.429 8.594 -15.126
8 HD3 ARG 1 2HD ARG 1 28.955 9.615 -13.790
9 HE ARG 1 HE ARG 1 31.030 9.442 -15.703
10 HH11 ARG 1 1HH1 ARG 1 27.854 10.893 -15.340
11 HH12 ARG 1 2HH1 ARG 1 28.213 12.191 -16.431
12 HH21 ARG 1 1HH2 ARG 1 31.433 11.134 -17.097
13 HH22 ARG 1 2HH2 ARG 1 30.214 12.324 -17.413
14 H SER 2 H SER 2 32.012 4.409 -11.915
15 HA SER 2 HA SER 2 33.087 4.065 -14.485
16 HB2 SER 2 1HB SER 2 34.494 2.407 -13.516
17 HB3 SER 2 2HB SER 2 34.199 3.587 -12.245
18 HG SER 2 HG SER 2 33.500 0.956 -12.405
19 H LEU 3 H LEU 3 32.991 2.351 -15.955
20 HA LEU 3 HA LEU 3 30.451 1.213 -16.398
21 HB2 LEU 3 1HB LEU 3 33.126 0.340 -17.515
22 HB3 LEU 3 2HB LEU 3 31.544 -0.070 -18.176
23 HG LEU 3 HG LEU 3 32.604 2.756 -17.871
24 HD11 LEU 3 1HD1 LEU 3 33.891 1.742 -19.595
25 HD12 LEU 3 2HD1 LEU 3 32.592 2.588 -20.438
26 HD13 LEU 3 3HD1 LEU 3 32.502 0.841 -20.207
27 HD21 LEU 3 1HD2 LEU 3 30.245 2.888 -17.836
28 HD22 LEU 3 2HD2 LEU 3 30.065 1.546 -18.966
29 HD23 LEU 3 3HD2 LEU 3 30.640 3.111 -19.540
30 H LEU 4 H LEU 4 33.325 -0.039 -14.777
31 HA LEU 4 HA LEU 4 32.660 -2.765 -14.737
32 HB2 LEU 4 1HB LEU 4 34.869 -1.817 -14.079
33 HB3 LEU 4 2HB LEU 4 34.132 -1.211 -12.596
34 HG LEU 4 HG LEU 4 33.413 -3.593 -12.099
35 HD11 LEU 4 1HD1 LEU 4 35.137 -4.031 -14.539
36 HD12 LEU 4 2HD1 LEU 4 33.527 -4.668 -14.204
37 HD13 LEU 4 3HD1 LEU 4 34.924 -5.296 -13.329
38 HD21 LEU 4 1HD2 LEU 4 35.523 -4.168 -11.140
39 HD22 LEU 4 2HD2 LEU 4 35.498 -2.405 -11.191
40 HD23 LEU 4 3HD2 LEU 4 36.411 -3.309 -12.399
41 H GLU 5 H GLU 5 31.724 -0.111 -12.588
42 HA GLU 5 HA GLU 5 30.505 -1.643 -10.566
43 HB2 GLU 5 1HB GLU 5 31.006 0.794 -10.406
44 HB3 GLU 5 2HB GLU 5 29.683 1.108 -11.529
45 HG2 GLU 5 1HG GLU 5 28.804 1.402 -9.312
46 HG3 GLU 5 2HG GLU 5 28.154 -0.113 -9.931
47 H GLY 6 H GLY 6 29.223 -0.326 -13.598
48 HA2 GLY 6 1HA GLY 6 27.560 -1.306 -14.929
49 HA3 GLY 6 2HA GLY 6 27.140 -2.368 -13.590
50 H GLU 7 H GLU 7 26.830 -0.323 -11.603
51 HA GLU 7 HA GLU 7 24.592 1.289 -12.638
52 HB2 GLU 7 1HB GLU 7 24.473 -0.514 -10.208
53 HB3 GLU 7 2HB GLU 7 23.222 0.637 -10.685
54 HG2 GLU 7 1HG GLU 7 23.013 -0.543 -12.867
55 HG3 GLU 7 2HG GLU 7 24.192 -1.726 -12.316
56 H ILE 8 H ILE 8 23.904 2.968 -11.085
57 HA ILE 8 HA ILE 8 26.178 4.297 -9.938
58 HB ILE 8 HB ILE 8 23.220 4.962 -9.826
59 HG12 ILE 8 1HG1 ILE 8 25.384 6.114 -11.607
60 HG13 ILE 8 2HG1 ILE 8 24.281 4.834 -12.117
61 HG21 ILE 8 1HG2 ILE 8 25.629 6.732 -9.322
62 HG22 ILE 8 2HG2 ILE 8 24.591 6.071 -8.059
63 HG23 ILE 8 3HG2 ILE 8 23.935 7.215 -9.229
64 HD11 ILE 8 1HD1 ILE 8 23.383 6.975 -12.845
65 HD12 ILE 8 2HD1 ILE 8 23.511 7.622 -11.210
66 HD13 ILE 8 3HD1 ILE 8 22.358 6.335 -11.561
67 HA PRO 9 HA PRO 9 25.424 2.458 -5.922
68 HB2 PRO 9 1HB PRO 9 27.053 4.046 -4.364
69 HB3 PRO 9 2HB PRO 9 27.627 2.707 -5.372
70 HG2 PRO 9 1HG PRO 9 27.946 5.569 -5.743
71 HG3 PRO 9 2HG PRO 9 28.815 4.227 -6.499
72 HD2 PRO 9 1HD PRO 9 26.731 5.838 -7.639
73 HD3 PRO 9 2HD PRO 9 27.606 4.492 -8.395
74 H PHE 10 H PHE 10 23.202 3.364 -6.117
75 HA PHE 10 HA PHE 10 22.725 5.687 -4.375
76 HB2 PHE 10 1HB PHE 10 21.703 5.099 -6.860
77 HB3 PHE 10 2HB PHE 10 20.410 4.571 -5.807
78 HD1 PHE 10 HD1 PHE 10 19.230 6.181 -4.361
79 HD2 PHE 10 HD2 PHE 10 22.304 7.426 -7.089
80 HE1 PHE 10 HE1 PHE 10 18.476 8.533 -4.136
81 HE2 PHE 10 HE2 PHE 10 21.552 9.778 -6.863
82 HZ PHE 10 HZ PHE 10 19.637 10.332 -5.386
83 HA PRO 11 HA PRO 11 19.508 2.313 -2.817
84 HB2 PRO 11 1HB PRO 11 21.304 -0.052 -3.186
85 HB3 PRO 11 2HB PRO 11 19.533 0.044 -3.263
86 HG2 PRO 11 1HG PRO 11 21.003 -0.128 -5.467
87 HG3 PRO 11 2HG PRO 11 19.530 0.857 -5.407
88 HD2 PRO 11 1HD PRO 11 22.373 1.737 -5.440
89 HD3 PRO 11 2HD PRO 11 20.925 2.563 -6.052
90 HA PRO 12 HA PRO 12 21.626 2.880 1.004
91 HB2 PRO 12 1HB PRO 12 20.343 1.067 2.674
92 HB3 PRO 12 2HB PRO 12 19.725 2.674 2.253
93 HG2 PRO 12 1HG PRO 12 19.001 0.022 1.133
94 HG3 PRO 12 2HG PRO 12 17.975 1.428 1.476
95 HD2 PRO 12 1HD PRO 12 18.756 0.832 -1.042
96 HD3 PRO 12 2HD PRO 12 18.549 2.512 -0.497
97 H THR 13 H THR 13 20.893 -0.622 0.847
98 HA THR 13 HA THR 13 23.188 -1.442 2.226
99 HB THR 13 HB THR 13 22.704 -3.680 1.362
100 HG1 THR 13 HG1 THR 13 21.918 -3.765 -0.564
101 HG21 THR 13 1HG2 THR 13 21.319 -2.832 3.190
102 HG22 THR 13 2HG2 THR 13 20.334 -3.808 2.102
103 HG23 THR 13 3HG2 THR 13 20.239 -2.049 2.036
104 H SER 14 H SER 14 23.066 -0.180 -0.950
105 HA SER 14 HA SER 14 25.079 -1.967 -2.072
106 HB2 SER 14 1HB SER 14 23.235 -1.058 -3.490
107 HB3 SER 14 2HB SER 14 23.876 0.560 -3.235
108 HG SER 14 HG SER 14 25.338 0.145 -4.685
109 H ILE 15 H ILE 15 24.741 1.482 -1.348
110 HA ILE 15 HA ILE 15 27.502 2.101 -1.647
111 HB ILE 15 HB ILE 15 25.730 3.816 -1.735
112 HG12 ILE 15 1HG1 ILE 15 27.571 4.370 0.597
113 HG13 ILE 15 2HG1 ILE 15 28.158 4.271 -1.064
114 HG21 ILE 15 1HG2 ILE 15 24.264 2.949 0.032
115 HG22 ILE 15 2HG2 ILE 15 24.721 4.616 0.374
116 HG23 ILE 15 3HG2 ILE 15 25.498 3.295 1.244
117 HD11 ILE 15 1HD1 ILE 15 26.550 6.038 -1.725
118 HD12 ILE 15 2HD1 ILE 15 27.666 6.605 -0.483
119 HD13 ILE 15 3HD1 ILE 15 26.015 6.162 -0.048
120 H LEU 16 H LEU 16 25.521 0.965 1.050
121 HA LEU 16 HA LEU 16 27.465 1.328 3.090
122 HB2 LEU 16 1HB LEU 16 25.177 -0.634 2.842
123 HB3 LEU 16 2HB LEU 16 26.153 -0.438 4.298
124 HG LEU 16 HG LEU 16 24.707 1.863 2.966
125 HD11 LEU 16 1HD1 LEU 16 23.210 1.532 5.093
126 HD12 LEU 16 2HD1 LEU 16 23.808 -0.126 5.036
127 HD13 LEU 16 3HD1 LEU 16 22.909 0.535 3.669
128 HD21 LEU 16 1HD2 LEU 16 24.992 2.678 5.441
129 HD22 LEU 16 2HD2 LEU 16 26.379 2.748 4.353
130 HD23 LEU 16 3HD2 LEU 16 26.238 1.433 5.520
131 H LEU 17 H LEU 17 26.895 -1.264 0.750
132 HA LEU 17 HA LEU 17 28.608 -3.171 1.998
133 HB2 LEU 17 1HB LEU 17 27.432 -2.900 -0.753
134 HB3 LEU 17 2HB LEU 17 28.628 -4.151 -0.409
135 HG LEU 17 HG LEU 17 26.268 -3.797 1.421
136 HD11 LEU 17 1HD1 LEU 17 25.359 -3.984 -0.881
137 HD12 LEU 17 2HD1 LEU 17 25.020 -5.432 0.069
138 HD13 LEU 17 3HD1 LEU 17 26.315 -5.444 -1.128
139 HD21 LEU 17 1HD2 LEU 17 27.936 -5.290 2.237
140 HD22 LEU 17 2HD2 LEU 17 28.163 -6.024 0.651
141 HD23 LEU 17 3HD2 LEU 17 26.682 -6.327 1.559
142 H LEU 18 H LEU 18 29.094 -0.853 -0.641
143 HA LEU 18 HA LEU 18 31.766 -1.506 -1.229
144 HB2 LEU 18 1HB LEU 18 30.413 1.201 -1.399
145 HB3 LEU 18 2HB LEU 18 31.906 0.740 -2.216
146 HG LEU 18 HG LEU 18 29.227 -0.622 -2.626
147 HD11 LEU 18 1HD1 LEU 18 29.286 0.499 -4.844
148 HD12 LEU 18 2HD1 LEU 18 30.739 1.366 -4.349
149 HD13 LEU 18 3HD1 LEU 18 29.210 1.662 -3.520
150 HD21 LEU 18 1HD2 LEU 18 30.895 -2.207 -3.152
151 HD22 LEU 18 2HD2 LEU 18 31.992 -0.977 -3.781
152 HD23 LEU 18 3HD2 LEU 18 30.565 -1.442 -4.706
153 H LEU 19 H LEU 19 30.362 0.780 1.094
154 HA LEU 19 HA LEU 19 32.768 1.877 2.058
155 HB2 LEU 19 1HB LEU 19 30.489 2.763 2.546
156 HB3 LEU 19 2HB LEU 19 30.220 1.389 3.618
157 HG LEU 19 HG LEU 19 32.311 2.093 4.871
158 HD11 LEU 19 1HD1 LEU 19 32.013 4.383 2.935
159 HD12 LEU 19 2HD1 LEU 19 33.470 3.490 3.372
160 HD13 LEU 19 3HD1 LEU 19 32.760 4.632 4.513
161 HD21 LEU 19 1HD2 LEU 19 31.143 4.010 6.008
162 HD22 LEU 19 2HD2 LEU 19 30.118 2.592 5.788
163 HD23 LEU 19 3HD2 LEU 19 29.942 3.982 4.717
164 H ALA 20 H ALA 20 30.998 -1.054 2.971
165 HA ALA 20 HA ALA 20 32.442 -1.625 5.328
166 HB1 ALA 20 1HB ALA 20 30.468 -2.848 5.105
167 HB2 ALA 20 2HB ALA 20 31.698 -4.054 4.727
168 HB3 ALA 20 3HB ALA 20 30.802 -3.270 3.426
169 H CYS 21 H CYS 21 32.933 -2.674 1.970
170 HA CYS 21 HA CYS 21 35.029 -4.487 2.518
171 HB2 CYS 21 1HB CYS 21 33.567 -4.015 0.338
172 HB3 CYS 21 2HB CYS 21 34.974 -3.046 -0.094
173 HG CYS 21 HG CYS 21 36.129 -5.155 -0.653
174 H ILE 22 H ILE 22 35.095 -1.108 1.386
175 HA ILE 22 HA ILE 22 37.906 -0.980 1.144
176 HB ILE 22 HB ILE 22 36.363 0.591 0.035
177 HG12 ILE 22 1HG1 ILE 22 38.239 2.090 1.870
178 HG13 ILE 22 2HG1 ILE 22 38.818 1.082 0.543
179 HG21 ILE 22 1HG2 ILE 22 35.443 2.485 1.329
180 HG22 ILE 22 2HG2 ILE 22 36.030 1.746 2.818
181 HG23 ILE 22 3HG2 ILE 22 34.776 0.946 1.871
182 HD11 ILE 22 1HD1 ILE 22 38.432 3.618 0.092
183 HD12 ILE 22 2HD1 ILE 22 36.721 3.187 0.056
184 HD13 ILE 22 3HD1 ILE 22 37.841 2.455 -1.094
185 H PHE 23 H PHE 23 35.774 -0.350 3.895
186 HA PHE 23 HA PHE 23 37.695 0.986 5.492
187 HB2 PHE 23 1HB PHE 23 35.211 0.950 5.870
188 HB3 PHE 23 2HB PHE 23 35.380 -0.697 6.449
189 HD1 PHE 23 HD1 PHE 23 36.192 2.848 7.117
190 HD2 PHE 23 HD2 PHE 23 36.270 -1.165 8.645
191 HE1 PHE 23 HE1 PHE 23 36.711 3.720 9.379
192 HE2 PHE 23 HE2 PHE 23 36.789 -0.294 10.908
193 HZ PHE 23 HZ PHE 23 37.010 2.149 11.274
194 H LEU 24 H LEU 24 36.641 -2.427 5.429
195 HA LEU 24 HA LEU 24 38.276 -3.270 7.562
196 HB2 LEU 24 1HB LEU 24 36.815 -4.616 5.336
197 HB3 LEU 24 2HB LEU 24 38.050 -5.555 6.162
198 HG LEU 24 HG LEU 24 35.787 -5.872 7.128
199 HD11 LEU 24 1HD1 LEU 24 37.394 -4.411 9.194
200 HD12 LEU 24 2HD1 LEU 24 38.047 -5.869 8.446
201 HD13 LEU 24 3HD1 LEU 24 36.523 -5.938 9.330
202 HD21 LEU 24 1HD2 LEU 24 34.894 -3.605 6.737
203 HD22 LEU 24 2HD2 LEU 24 36.027 -2.952 7.919
204 HD23 LEU 24 3HD2 LEU 24 34.755 -4.058 8.434
205 H ILE 25 H ILE 25 38.833 -3.288 4.051
206 HA ILE 25 HA ILE 25 41.336 -4.600 4.203
207 HB ILE 25 HB ILE 25 39.989 -4.493 2.146
208 HG12 ILE 25 1HG1 ILE 25 42.673 -3.182 1.689
209 HG13 ILE 25 2HG1 ILE 25 42.518 -4.862 2.207
210 HG21 ILE 25 1HG2 ILE 25 39.225 -2.171 2.300
211 HG22 ILE 25 2HG2 ILE 25 40.052 -2.447 0.768
212 HG23 ILE 25 3HG2 ILE 25 40.878 -1.596 2.072
213 HD11 ILE 25 1HD1 ILE 25 42.707 -4.618 -0.277
214 HD12 ILE 25 2HD1 ILE 25 41.193 -3.715 -0.266
215 HD13 ILE 25 3HD1 ILE 25 41.214 -5.408 0.230
216 H LYS 26 H LYS 26 40.474 -1.163 4.333
217 HA LYS 26 HA LYS 26 43.051 -0.111 3.963
218 HB2 LYS 26 1HB LYS 26 40.940 1.215 3.929
219 HB3 LYS 26 2HB LYS 26 40.838 1.034 5.680
220 HG2 LYS 26 1HG LYS 26 43.072 2.112 5.895
221 HG3 LYS 26 2HG LYS 26 43.093 2.363 4.149
222 HD2 LYS 26 1HD LYS 26 40.953 3.654 4.366
223 HD3 LYS 26 2HD LYS 26 41.100 3.516 6.118
224 HE2 LYS 26 1HE LYS 26 42.092 5.602 5.665
225 HE3 LYS 26 2HE LYS 26 43.476 4.514 5.776
226 HZ1 LYS 26 1HZ LYS 26 42.275 4.724 3.150
227 HZ2 LYS 26 2HZ LYS 26 43.912 4.706 3.601
228 HZ3 LYS 26 3HZ LYS 26 43.015 6.144 3.712
229 H ILE 27 H ILE 27 41.350 -1.114 6.912
230 HA ILE 27 HA ILE 27 43.385 -0.287 8.712
231 HB ILE 27 HB ILE 27 41.344 -2.483 9.106
232 HG12 ILE 27 1HG1 ILE 27 40.237 -0.397 8.450
233 HG13 ILE 27 2HG1 ILE 27 39.958 -0.721 10.156
234 HG21 ILE 27 1HG2 ILE 27 43.078 -2.525 10.805
235 HG22 ILE 27 2HG2 ILE 27 41.608 -1.854 11.510
236 HG23 ILE 27 3HG2 ILE 27 42.931 -0.784 11.048
237 HD11 ILE 27 1HD1 ILE 27 40.490 1.638 9.858
238 HD12 ILE 27 2HD1 ILE 27 41.971 1.231 8.997
239 HD13 ILE 27 3HD1 ILE 27 41.819 0.861 10.715
240 H LEU 28 H LEU 28 42.681 -3.453 7.239
241 HA LEU 28 HA LEU 28 44.656 -4.912 8.602
242 HB2 LEU 28 1HB LEU 28 42.801 -5.906 7.270
243 HB3 LEU 28 2HB LEU 28 43.632 -5.404 5.797
244 HG LEU 28 HG LEU 28 45.648 -6.714 6.616
245 HD11 LEU 28 1HD1 LEU 28 43.597 -7.481 8.690
246 HD12 LEU 28 2HD1 LEU 28 45.269 -6.976 8.931
247 HD13 LEU 28 3HD1 LEU 28 44.916 -8.573 8.271
248 HD21 LEU 28 1HD2 LEU 28 44.303 -7.687 4.888
249 HD22 LEU 28 2HD2 LEU 28 43.011 -8.079 6.023
250 HD23 LEU 28 3HD2 LEU 28 44.541 -8.955 6.090
251 H ALA 29 H ALA 29 44.793 -3.092 5.572
252 HA ALA 29 HA ALA 29 47.360 -3.872 4.749
253 HB1 ALA 29 1HB ALA 29 47.325 -1.843 3.364
254 HB2 ALA 29 2HB ALA 29 45.939 -1.243 4.274
255 HB3 ALA 29 3HB ALA 29 45.783 -2.695 3.284
256 H ALA 30 H ALA 30 46.337 -1.434 7.085
257 HA ALA 30 HA ALA 30 48.660 0.117 7.193
258 HB1 ALA 30 1HB ALA 30 47.935 0.711 9.478
259 HB2 ALA 30 2HB ALA 30 46.765 -0.608 9.440
260 HB3 ALA 30 3HB ALA 30 46.593 0.755 8.335
261 H SER 31 H SER 31 47.832 -2.869 8.950
262 HA SER 31 HA SER 31 50.123 -3.006 10.568
263 HB2 SER 31 1HB SER 31 49.614 -5.363 10.811
264 HB3 SER 31 2HB SER 31 48.105 -4.457 10.795
265 HG SER 31 HG SER 31 48.813 -6.432 9.219
266 H ALA 32 H ALA 32 49.568 -4.078 7.234
267 HA ALA 32 HA ALA 32 51.998 -5.477 6.897
268 HB1 ALA 32 1HB ALA 32 50.001 -5.570 5.365
269 HB2 ALA 32 2HB ALA 32 51.546 -5.365 4.540
270 HB3 ALA 32 3HB ALA 32 50.473 -3.983 4.756
271 H LEU 33 H LEU 33 51.127 -2.076 6.314
272 HA LEU 33 HA LEU 33 53.533 -1.313 5.064
273 HB2 LEU 33 1HB LEU 33 51.675 0.370 6.764
274 HB3 LEU 33 2HB LEU 33 52.875 0.983 5.628
275 HG LEU 33 HG LEU 33 50.557 -0.820 4.871
276 HD11 LEU 33 1HD1 LEU 33 50.963 2.173 4.597
277 HD12 LEU 33 2HD1 LEU 33 49.700 1.354 5.517
278 HD13 LEU 33 3HD1 LEU 33 49.703 1.270 3.755
279 HD21 LEU 33 1HD2 LEU 33 52.312 -1.131 3.292
280 HD22 LEU 33 2HD2 LEU 33 52.749 0.577 3.326
281 HD23 LEU 33 3HD2 LEU 33 51.249 0.067 2.552
282 H TRP 34 H TRP 34 52.597 -1.405 8.480
283 HA TRP 34 HA TRP 34 54.869 -0.075 9.499
284 HB2 TRP 34 1HB TRP 34 52.750 -0.547 10.747
285 HB3 TRP 34 2HB TRP 34 53.250 -2.223 10.866
286 HD1 TRP 34 HD1 TRP 34 54.710 -2.848 12.862
287 HE1 TRP 34 HE1 TRP 34 55.948 -1.535 14.701
288 HE3 TRP 34 HE3 TRP 34 54.079 1.912 11.124
289 HZ2 TRP 34 HZ2 TRP 34 56.588 1.180 15.352
290 HZ3 TRP 34 HZ3 TRP 34 55.011 3.838 12.368
291 HH2 TRP 34 HH2 TRP 34 56.263 3.482 14.477
292 H ALA 35 H ALA 35 54.200 -3.534 9.017
293 HA ALA 35 HA ALA 35 56.611 -4.502 10.104
294 HB1 ALA 35 1HB ALA 35 54.906 -5.707 7.910
295 HB2 ALA 35 2HB ALA 35 54.676 -5.947 9.642
296 HB3 ALA 35 3HB ALA 35 56.128 -6.562 8.853
297 H ALA 36 H ALA 36 55.760 -3.536 6.808
298 HA ALA 36 HA ALA 36 58.149 -4.298 5.540
299 HB1 ALA 36 1HB ALA 36 57.489 -2.566 3.835
300 HB2 ALA 36 2HB ALA 36 56.153 -2.123 4.898
301 HB3 ALA 36 3HB ALA 36 56.233 -3.746 4.211
302 H ALA 37 H ALA 37 57.376 -1.469 7.478
303 HA ALA 37 HA ALA 37 59.359 0.296 6.617
304 HB1 ALA 37 1HB ALA 37 58.877 1.533 8.505
305 HB2 ALA 37 2HB ALA 37 58.729 0.109 9.532
306 HB3 ALA 37 3HB ALA 37 57.433 0.526 8.413
307 H TRP 38 H TRP 38 59.565 -2.398 8.911
308 HA TRP 38 HA TRP 38 62.124 -1.926 9.929
309 HB2 TRP 38 1HB TRP 38 60.472 -3.693 10.659
310 HB3 TRP 38 2HB TRP 38 60.987 -4.640 9.276
311 HD1 TRP 38 HD1 TRP 38 62.086 -3.466 12.709
312 HE1 TRP 38 HE1 TRP 38 64.189 -4.775 13.416
313 HE3 TRP 38 HE3 TRP 38 63.130 -5.884 8.335
314 HZ2 TRP 38 HZ2 TRP 38 66.070 -6.610 12.277
315 HZ3 TRP 38 HZ3 TRP 38 65.078 -7.403 8.174
316 HH2 TRP 38 HH2 TRP 38 66.550 -7.769 10.134
317 H HIS 39 H HIS 39 61.120 -3.457 6.901
318 HA HIS 39 HA HIS 39 63.932 -3.900 6.166
319 HB2 HIS 39 1HB HIS 39 61.352 -4.777 4.866
320 HB3 HIS 39 2HB HIS 39 62.948 -5.110 4.220
321 HD1 HIS 39 HD1 HIS 39 60.543 -6.144 6.882
322 HD2 HIS 39 HD2 HIS 39 64.414 -7.106 5.668
323 HE1 HIS 39 HE1 HIS 39 61.162 -8.279 8.092
324 H GLY 40 H GLY 40 64.753 -3.131 4.152
325 HA2 GLY 40 1HA GLY 40 63.717 -0.496 3.461
326 HA3 GLY 40 2HA GLY 40 65.247 -1.188 2.939
327 H GLN 41 H GLN 41 62.155 -2.857 2.617
328 HA GLN 41 HA GLN 41 62.561 -2.974 -0.263
329 HB2 GLN 41 1HB GLN 41 60.808 -4.648 -0.259
330 HB3 GLN 41 2HB GLN 41 61.980 -5.010 1.005
331 HG2 GLN 41 1HG GLN 41 60.440 -3.792 2.621
332 HG3 GLN 41 2HG GLN 41 59.235 -3.778 1.334
333 HE21 GLN 41 1HE2 GLN 41 57.742 -5.326 2.115
334 HE22 GLN 41 2HE2 GLN 41 58.155 -6.933 2.470
335 H LYS 42 H LYS 42 61.489 -0.481 1.270
336 HA LYS 42 HA LYS 42 59.143 -0.054 -0.489
337 HB2 LYS 42 1HB LYS 42 58.521 -0.291 1.922
338 HB3 LYS 42 2HB LYS 42 59.538 1.106 2.279
339 HG2 LYS 42 1HG LYS 42 58.194 2.500 0.776
340 HG3 LYS 42 2HG LYS 42 57.197 1.108 0.350
341 HD2 LYS 42 1HD LYS 42 56.179 1.022 2.447
342 HD3 LYS 42 2HD LYS 42 57.503 1.877 3.237
343 HE2 LYS 42 1HE LYS 42 55.798 3.227 1.147
344 HE3 LYS 42 2HE LYS 42 55.314 3.192 2.843
345 HZ1 LYS 42 1HZ LYS 42 56.588 5.184 2.290
346 HZ2 LYS 42 2HZ LYS 42 57.908 4.221 1.824
347 HZ3 LYS 42 3HZ LYS 42 57.391 4.233 3.443
348 HA PRO 43 HA PRO 43 62.286 3.219 -1.317
349 HB2 PRO 43 1HB PRO 43 62.245 3.156 -4.022
350 HB3 PRO 43 2HB PRO 43 63.191 1.996 -3.067
351 HG2 PRO 43 1HG PRO 43 60.585 1.631 -4.438
352 HG3 PRO 43 2HG PRO 43 61.935 0.498 -4.248
353 HD2 PRO 43 1HD PRO 43 59.624 0.464 -2.707
354 HD3 PRO 43 2HD PRO 43 61.171 -0.269 -2.233
355 H GLY 44 H GLY 44 61.955 5.005 -3.323
356 HA2 GLY 44 1HA GLY 44 59.542 5.877 -4.211
357 HA3 GLY 44 2HA GLY 44 59.555 6.409 -2.533
358 H THR 45 H THR 45 61.972 7.299 -2.007
359 HA THR 45 HA THR 45 62.767 9.136 -4.172
360 HB THR 45 HB THR 45 61.228 10.343 -2.676
361 HG1 THR 45 HG1 THR 45 63.938 11.104 -2.363
362 HG21 THR 45 1HG2 THR 45 63.285 9.857 -0.510
363 HG22 THR 45 2HG2 THR 45 61.763 8.975 -0.632
364 HG23 THR 45 3HG2 THR 45 61.754 10.715 -0.351
365 H HIS 46 H HIS 46 64.906 10.034 -3.917
366 HA HIS 46 HA HIS 46 66.646 8.902 -1.887
367 HB2 HIS 46 1HB HIS 46 66.519 7.124 -3.612
368 HB3 HIS 46 2HB HIS 46 67.094 8.271 -4.807
369 HD1 HIS 46 HD1 HIS 46 68.272 6.910 -1.435
370 HD2 HIS 46 HD2 HIS 46 69.825 8.138 -5.103
371 HE1 HIS 46 HE1 HIS 46 70.767 6.505 -1.325
Start of MODEL 8
1 H ARG 1 3H ARG 1 28.002 9.567 4.314
2 HA ARG 1 HA ARG 1 29.015 11.311 3.116
3 HB2 ARG 1 1HB ARG 1 27.211 9.955 1.974
4 HB3 ARG 1 2HB ARG 1 26.090 11.270 2.321
5 HG2 ARG 1 1HG ARG 1 27.559 12.834 1.081
6 HG3 ARG 1 2HG ARG 1 28.640 11.494 0.696
7 HD2 ARG 1 1HD ARG 1 26.719 10.331 -0.410
8 HD3 ARG 1 2HD ARG 1 25.737 11.765 -0.130
9 HE ARG 1 HE ARG 1 26.942 12.883 -1.794
10 HH11 ARG 1 1HH1 ARG 1 28.416 9.757 -1.176
11 HH12 ARG 1 2HH1 ARG 1 29.421 9.841 -2.584
12 HH21 ARG 1 1HH2 ARG 1 28.263 12.936 -3.590
13 HH22 ARG 1 2HH2 ARG 1 29.335 11.619 -3.933
14 H SER 2 H SER 2 29.406 13.469 2.953
15 HA SER 2 HA SER 2 28.458 15.201 4.931
16 HB2 SER 2 1HB SER 2 29.700 15.921 2.266
17 HB3 SER 2 2HB SER 2 29.573 16.982 3.664
18 HG SER 2 HG SER 2 31.502 15.330 3.137
19 H LEU 3 H LEU 3 26.968 16.831 4.979
20 HA LEU 3 HA LEU 3 24.635 16.570 3.373
21 HB2 LEU 3 1HB LEU 3 25.465 18.837 5.200
22 HB3 LEU 3 2HB LEU 3 23.838 18.546 4.586
23 HG LEU 3 HG LEU 3 25.404 16.590 6.295
24 HD11 LEU 3 1HD1 LEU 3 23.676 17.229 8.026
25 HD12 LEU 3 2HD1 LEU 3 23.202 18.561 6.970
26 HD13 LEU 3 3HD1 LEU 3 24.830 18.507 7.647
27 HD21 LEU 3 1HD2 LEU 3 22.652 16.616 5.064
28 HD22 LEU 3 2HD2 LEU 3 22.966 15.691 6.531
29 HD23 LEU 3 3HD2 LEU 3 23.854 15.324 5.052
30 H LEU 4 H LEU 4 27.459 18.659 3.182
31 HA LEU 4 HA LEU 4 26.417 20.741 1.625
32 HB2 LEU 4 1HB LEU 4 28.657 20.739 2.719
33 HB3 LEU 4 2HB LEU 4 29.217 19.599 1.497
34 HG LEU 4 HG LEU 4 28.498 21.289 -0.257
35 HD11 LEU 4 1HD1 LEU 4 28.043 22.861 2.272
36 HD12 LEU 4 2HD1 LEU 4 27.001 22.720 0.857
37 HD13 LEU 4 3HD1 LEU 4 28.475 23.684 0.773
38 HD21 LEU 4 1HD2 LEU 4 30.474 22.818 0.245
39 HD22 LEU 4 2HD2 LEU 4 30.838 21.092 0.237
40 HD23 LEU 4 3HD2 LEU 4 30.650 21.947 1.768
41 H GLU 5 H GLU 5 27.661 17.567 0.696
42 HA GLU 5 HA GLU 5 27.805 17.995 -2.085
43 HB2 GLU 5 1HB GLU 5 27.264 15.456 -0.529
44 HB3 GLU 5 2HB GLU 5 27.670 15.518 -2.246
45 HG2 GLU 5 1HG GLU 5 29.780 16.703 -1.679
46 HG3 GLU 5 2HG GLU 5 29.388 16.547 0.028
47 H GLY 6 H GLY 6 25.115 16.971 -0.012
48 HA2 GLY 6 1HA GLY 6 22.849 17.253 -0.340
49 HA3 GLY 6 2HA GLY 6 23.219 18.112 -1.830
50 H GLU 7 H GLU 7 24.320 14.829 -1.172
51 HA GLU 7 HA GLU 7 22.466 13.845 -3.269
52 HB2 GLU 7 1HB GLU 7 24.911 13.763 -3.827
53 HB3 GLU 7 2HB GLU 7 25.129 12.657 -2.469
54 HG2 GLU 7 1HG GLU 7 23.446 11.129 -3.483
55 HG3 GLU 7 2HG GLU 7 23.331 12.208 -4.866
56 H ILE 8 H ILE 8 21.228 12.078 -2.852
57 HA ILE 8 HA ILE 8 21.264 11.079 -0.085
58 HB ILE 8 HB ILE 8 19.252 12.245 -0.971
59 HG12 ILE 8 1HG1 ILE 8 19.183 10.656 0.936
60 HG13 ILE 8 2HG1 ILE 8 17.667 10.792 0.066
61 HG21 ILE 8 1HG2 ILE 8 19.351 11.345 -3.277
62 HG22 ILE 8 2HG2 ILE 8 17.764 11.172 -2.526
63 HG23 ILE 8 3HG2 ILE 8 18.835 9.777 -2.656
64 HD11 ILE 8 1HD1 ILE 8 17.661 8.543 0.001
65 HD12 ILE 8 2HD1 ILE 8 19.334 8.452 0.535
66 HD13 ILE 8 3HD1 ILE 8 18.968 8.626 -1.173
67 HA PRO 9 HA PRO 9 22.768 7.287 -2.081
68 HB2 PRO 9 1HB PRO 9 22.592 5.548 0.022
69 HB3 PRO 9 2HB PRO 9 23.907 6.726 -0.157
70 HG2 PRO 9 1HG PRO 9 21.469 6.864 1.539
71 HG3 PRO 9 2HG PRO 9 23.130 7.363 1.905
72 HD2 PRO 9 1HD PRO 9 21.196 9.147 1.208
73 HD3 PRO 9 2HD PRO 9 22.913 9.395 0.827
74 H PHE 10 H PHE 10 20.926 7.108 -3.474
75 HA PHE 10 HA PHE 10 18.382 6.254 -2.821
76 HB2 PHE 10 1HB PHE 10 20.047 6.234 -5.254
77 HB3 PHE 10 2HB PHE 10 18.708 5.104 -5.268
78 HD1 PHE 10 HD1 PHE 10 19.582 8.693 -4.750
79 HD2 PHE 10 HD2 PHE 10 16.513 5.847 -5.713
80 HE1 PHE 10 HE1 PHE 10 18.050 10.548 -5.349
81 HE2 PHE 10 HE2 PHE 10 14.980 7.702 -6.313
82 HZ PHE 10 HZ PHE 10 15.750 10.053 -6.131
83 HA PRO 11 HA PRO 11 19.601 1.729 -2.753
84 HB2 PRO 11 1HB PRO 11 21.978 0.806 -3.550
85 HB3 PRO 11 2HB PRO 11 20.778 1.346 -4.744
86 HG2 PRO 11 1HG PRO 11 23.227 2.714 -3.780
87 HG3 PRO 11 2HG PRO 11 22.492 2.708 -5.392
88 HD2 PRO 11 1HD PRO 11 22.195 4.730 -3.443
89 HD3 PRO 11 2HD PRO 11 21.240 4.545 -4.930
90 HA PRO 12 HA PRO 12 21.722 3.067 1.157
91 HB2 PRO 12 1HB PRO 12 20.335 1.286 2.796
92 HB3 PRO 12 2HB PRO 12 19.842 2.949 2.431
93 HG2 PRO 12 1HG PRO 12 18.911 0.398 1.230
94 HG3 PRO 12 2HG PRO 12 17.997 1.865 1.628
95 HD2 PRO 12 1HD PRO 12 18.692 1.312 -0.912
96 HD3 PRO 12 2HD PRO 12 18.669 2.983 -0.301
97 H THR 13 H THR 13 20.826 -0.400 0.980
98 HA THR 13 HA THR 13 23.065 -1.273 2.436
99 HB THR 13 HB THR 13 22.454 -3.520 1.688
100 HG1 THR 13 HG1 THR 13 21.836 -3.469 -0.336
101 HG21 THR 13 1HG2 THR 13 19.922 -1.928 2.114
102 HG22 THR 13 2HG2 THR 13 21.092 -2.199 3.406
103 HG23 THR 13 3HG2 THR 13 20.278 -3.570 2.652
104 H SER 14 H SER 14 22.969 -0.236 -0.839
105 HA SER 14 HA SER 14 24.928 -2.177 -1.799
106 HB2 SER 14 1HB SER 14 22.992 -1.184 -3.198
107 HB3 SER 14 2HB SER 14 23.989 0.263 -3.293
108 HG SER 14 HG SER 14 24.754 -2.374 -4.038
109 H ILE 15 H ILE 15 24.669 1.332 -1.397
110 HA ILE 15 HA ILE 15 27.431 1.876 -1.777
111 HB ILE 15 HB ILE 15 25.675 3.605 -1.953
112 HG12 ILE 15 1HG1 ILE 15 26.902 5.336 -0.554
113 HG13 ILE 15 2HG1 ILE 15 27.877 4.009 0.081
114 HG21 ILE 15 1HG2 ILE 15 25.520 3.321 1.062
115 HG22 ILE 15 2HG2 ILE 15 24.250 2.891 -0.083
116 HG23 ILE 15 3HG2 ILE 15 24.728 4.577 0.109
117 HD11 ILE 15 1HD1 ILE 15 27.561 4.356 -2.890
118 HD12 ILE 15 2HD1 ILE 15 28.858 3.561 -1.998
119 HD13 ILE 15 3HD1 ILE 15 28.744 5.320 -2.007
120 H LEU 16 H LEU 16 25.480 0.989 1.035
121 HA LEU 16 HA LEU 16 27.451 1.424 3.024
122 HB2 LEU 16 1HB LEU 16 25.040 0.957 3.480
123 HB3 LEU 16 2HB LEU 16 25.306 -0.714 2.983
124 HG LEU 16 HG LEU 16 27.148 -0.815 4.741
125 HD11 LEU 16 1HD1 LEU 16 27.621 1.451 5.207
126 HD12 LEU 16 2HD1 LEU 16 26.696 0.921 6.613
127 HD13 LEU 16 3HD1 LEU 16 25.912 1.868 5.348
128 HD21 LEU 16 1HD2 LEU 16 24.940 -1.833 5.101
129 HD22 LEU 16 2HD2 LEU 16 24.299 -0.282 5.642
130 HD23 LEU 16 3HD2 LEU 16 25.526 -1.110 6.599
131 H LEU 17 H LEU 17 26.797 -1.298 0.856
132 HA LEU 17 HA LEU 17 28.514 -3.165 2.135
133 HB2 LEU 17 1HB LEU 17 26.725 -3.772 0.507
134 HB3 LEU 17 2HB LEU 17 27.705 -3.069 -0.781
135 HG LEU 17 HG LEU 17 29.569 -4.641 -0.074
136 HD11 LEU 17 1HD1 LEU 17 27.322 -5.581 1.693
137 HD12 LEU 17 2HD1 LEU 17 29.022 -5.337 2.096
138 HD13 LEU 17 3HD1 LEU 17 28.537 -6.728 1.126
139 HD21 LEU 17 1HD2 LEU 17 27.014 -6.036 -0.917
140 HD22 LEU 17 2HD2 LEU 17 28.668 -6.487 -1.332
141 HD23 LEU 17 3HD2 LEU 17 27.960 -5.017 -2.003
142 H LEU 18 H LEU 18 28.977 -0.965 -0.600
143 HA LEU 18 HA LEU 18 31.630 -1.675 -1.221
144 HB2 LEU 18 1HB LEU 18 30.290 1.028 -1.498
145 HB3 LEU 18 2HB LEU 18 31.760 0.514 -2.326
146 HG LEU 18 HG LEU 18 29.067 -0.854 -2.599
147 HD11 LEU 18 1HD1 LEU 18 30.527 0.925 -4.574
148 HD12 LEU 18 2HD1 LEU 18 29.173 1.459 -3.577
149 HD13 LEU 18 3HD1 LEU 18 28.936 0.195 -4.785
150 HD21 LEU 18 1HD2 LEU 18 30.272 -1.872 -4.606
151 HD22 LEU 18 2HD2 LEU 18 30.835 -2.422 -3.027
152 HD23 LEU 18 3HD2 LEU 18 31.765 -1.222 -3.928
153 H LEU 19 H LEU 19 30.291 0.731 1.020
154 HA LEU 19 HA LEU 19 32.715 1.890 1.845
155 HB2 LEU 19 1HB LEU 19 30.167 2.435 2.395
156 HB3 LEU 19 2HB LEU 19 30.505 1.463 3.819
157 HG LEU 19 HG LEU 19 30.885 3.792 4.353
158 HD11 LEU 19 1HD1 LEU 19 32.987 3.632 5.344
159 HD12 LEU 19 2HD1 LEU 19 33.681 2.769 3.972
160 HD13 LEU 19 3HD1 LEU 19 32.582 1.938 5.072
161 HD21 LEU 19 1HD2 LEU 19 33.068 4.001 2.306
162 HD22 LEU 19 2HD2 LEU 19 32.134 5.283 3.078
163 HD23 LEU 19 3HD2 LEU 19 31.394 4.284 1.827
164 H ALA 20 H ALA 20 31.021 -1.020 2.949
165 HA ALA 20 HA ALA 20 32.574 -1.485 5.261
166 HB1 ALA 20 1HB ALA 20 30.484 -2.652 4.963
167 HB2 ALA 20 2HB ALA 20 31.776 -3.851 5.021
168 HB3 ALA 20 3HB ALA 20 31.060 -3.400 3.474
169 H CYS 21 H CYS 21 32.912 -2.684 1.931
170 HA CYS 21 HA CYS 21 35.063 -4.432 2.405
171 HB2 CYS 21 1HB CYS 21 34.323 -2.895 -0.097
172 HB3 CYS 21 2HB CYS 21 35.498 -4.209 -0.040
173 HG CYS 21 HG CYS 21 33.326 -5.613 1.020
174 H ILE 22 H ILE 22 35.019 -1.027 1.402
175 HA ILE 22 HA ILE 22 37.789 -0.736 1.011
176 HB ILE 22 HB ILE 22 35.772 1.351 1.887
177 HG12 ILE 22 1HG1 ILE 22 36.781 0.676 -0.888
178 HG13 ILE 22 2HG1 ILE 22 35.261 0.068 -0.235
179 HG21 ILE 22 1HG2 ILE 22 38.499 1.606 0.576
180 HG22 ILE 22 2HG2 ILE 22 38.079 2.121 2.209
181 HG23 ILE 22 3HG2 ILE 22 37.367 2.937 0.818
182 HD11 ILE 22 1HD1 ILE 22 34.764 2.053 -1.521
183 HD12 ILE 22 2HD1 ILE 22 36.023 2.964 -0.689
184 HD13 ILE 22 3HD1 ILE 22 34.578 2.459 0.185
185 H PHE 23 H PHE 23 35.790 -0.325 3.913
186 HA PHE 23 HA PHE 23 37.759 0.858 5.542
187 HB2 PHE 23 1HB PHE 23 35.335 0.791 6.059
188 HB3 PHE 23 2HB PHE 23 35.472 -0.927 6.379
189 HD1 PHE 23 HD1 PHE 23 36.583 -1.747 8.399
190 HD2 PHE 23 HD2 PHE 23 36.237 2.457 7.592
191 HE1 PHE 23 HE1 PHE 23 37.193 -1.246 10.750
192 HE2 PHE 23 HE2 PHE 23 36.847 2.958 9.943
193 HZ PHE 23 HZ PHE 23 37.326 1.106 11.522
194 H LEU 24 H LEU 24 36.813 -2.547 5.143
195 HA LEU 24 HA LEU 24 38.501 -3.567 7.162
196 HB2 LEU 24 1HB LEU 24 37.113 -4.762 4.792
197 HB3 LEU 24 2HB LEU 24 38.311 -5.721 5.658
198 HG LEU 24 HG LEU 24 37.010 -4.984 7.794
199 HD11 LEU 24 1HD1 LEU 24 35.597 -3.311 6.642
200 HD12 LEU 24 2HD1 LEU 24 34.618 -4.570 7.393
201 HD13 LEU 24 3HD1 LEU 24 34.899 -4.592 5.652
202 HD21 LEU 24 1HD2 LEU 24 35.614 -6.872 5.880
203 HD22 LEU 24 2HD2 LEU 24 35.642 -6.954 7.642
204 HD23 LEU 24 3HD2 LEU 24 37.108 -7.288 6.720
205 H ILE 25 H ILE 25 39.039 -3.113 3.680
206 HA ILE 25 HA ILE 25 41.545 -4.422 3.581
207 HB ILE 25 HB ILE 25 40.501 -2.180 1.828
208 HG12 ILE 25 1HG1 ILE 25 40.423 -5.180 1.400
209 HG13 ILE 25 2HG1 ILE 25 39.058 -4.250 2.015
210 HG21 ILE 25 1HG2 ILE 25 42.601 -4.294 1.252
211 HG22 ILE 25 2HG2 ILE 25 42.970 -2.619 1.663
212 HG23 ILE 25 3HG2 ILE 25 42.095 -2.991 0.177
213 HD11 ILE 25 1HD1 ILE 25 39.147 -2.832 -0.037
214 HD12 ILE 25 2HD1 ILE 25 38.818 -4.526 -0.398
215 HD13 ILE 25 3HD1 ILE 25 40.432 -3.865 -0.661
216 H LYS 26 H LYS 26 40.704 -0.994 4.042
217 HA LYS 26 HA LYS 26 43.334 -0.002 3.952
218 HB2 LYS 26 1HB LYS 26 40.864 1.085 5.313
219 HB3 LYS 26 2HB LYS 26 42.376 1.977 5.146
220 HG2 LYS 26 1HG LYS 26 42.243 1.848 2.720
221 HG3 LYS 26 2HG LYS 26 40.814 0.819 2.820
222 HD2 LYS 26 1HD LYS 26 39.979 3.001 2.382
223 HD3 LYS 26 2HD LYS 26 39.703 2.735 4.102
224 HE2 LYS 26 1HE LYS 26 42.165 3.845 4.232
225 HE3 LYS 26 2HE LYS 26 41.586 4.599 2.748
226 HZ1 LYS 26 1HZ LYS 26 39.798 5.564 3.843
227 HZ2 LYS 26 2HZ LYS 26 41.080 5.751 4.941
228 HZ3 LYS 26 3HZ LYS 26 39.921 4.533 5.185
229 H ILE 27 H ILE 27 41.386 -1.182 6.669
230 HA ILE 27 HA ILE 27 43.327 -0.384 8.623
231 HB ILE 27 HB ILE 27 41.935 -1.576 10.234
232 HG12 ILE 27 1HG1 ILE 27 40.293 -2.452 7.839
233 HG13 ILE 27 2HG1 ILE 27 41.384 -3.513 8.732
234 HG21 ILE 27 1HG2 ILE 27 41.277 0.683 9.480
235 HG22 ILE 27 2HG2 ILE 27 39.863 -0.297 9.864
236 HG23 ILE 27 3HG2 ILE 27 40.320 -0.031 8.182
237 HD11 ILE 27 1HD1 ILE 27 38.795 -2.287 9.621
238 HD12 ILE 27 2HD1 ILE 27 40.024 -2.681 10.822
239 HD13 ILE 27 3HD1 ILE 27 39.358 -3.949 9.792
240 H LEU 28 H LEU 28 42.706 -3.375 6.855
241 HA LEU 28 HA LEU 28 44.303 -5.090 8.416
242 HB2 LEU 28 1HB LEU 28 42.737 -5.835 6.623
243 HB3 LEU 28 2HB LEU 28 43.864 -5.203 5.422
244 HG LEU 28 HG LEU 28 45.639 -6.692 6.464
245 HD11 LEU 28 1HD1 LEU 28 44.512 -8.708 7.671
246 HD12 LEU 28 2HD1 LEU 28 43.187 -7.584 7.971
247 HD13 LEU 28 3HD1 LEU 28 44.799 -7.233 8.593
248 HD21 LEU 28 1HD2 LEU 28 43.170 -8.005 5.280
249 HD22 LEU 28 2HD2 LEU 28 44.773 -8.737 5.348
250 HD23 LEU 28 3HD2 LEU 28 44.504 -7.295 4.369
251 H ALA 29 H ALA 29 45.089 -3.087 5.590
252 HA ALA 29 HA ALA 29 47.858 -3.747 5.542
253 HB1 ALA 29 1HB ALA 29 46.514 -1.239 4.511
254 HB2 ALA 29 2HB ALA 29 46.621 -2.758 3.620
255 HB3 ALA 29 3HB ALA 29 48.089 -1.867 4.023
256 H ALA 30 H ALA 30 46.005 -1.143 7.056
257 HA ALA 30 HA ALA 30 48.343 0.192 8.083
258 HB1 ALA 30 1HB ALA 30 46.072 1.235 7.482
259 HB2 ALA 30 2HB ALA 30 46.867 1.787 8.957
260 HB3 ALA 30 3HB ALA 30 45.534 0.636 9.051
261 H SER 31 H SER 31 46.909 -2.658 9.082
262 HA SER 31 HA SER 31 46.518 -2.402 11.822
263 HB2 SER 31 1HB SER 31 46.006 -4.435 10.467
264 HB3 SER 31 2HB SER 31 47.729 -4.789 10.413
265 HG SER 31 HG SER 31 47.674 -5.356 12.465
266 H ALA 32 H ALA 32 49.537 -2.864 10.026
267 HA ALA 32 HA ALA 32 51.214 -3.380 12.232
268 HB1 ALA 32 1HB ALA 32 52.241 -3.825 10.202
269 HB2 ALA 32 2HB ALA 32 52.968 -2.272 10.614
270 HB3 ALA 32 3HB ALA 32 51.641 -2.345 9.455
271 H LEU 33 H LEU 33 50.355 -0.317 10.621
272 HA LEU 33 HA LEU 33 52.044 1.349 12.133
273 HB2 LEU 33 1HB LEU 33 50.878 2.013 10.032
274 HB3 LEU 33 2HB LEU 33 49.363 2.072 10.932
275 HG LEU 33 HG LEU 33 50.489 3.711 12.512
276 HD11 LEU 33 1HD1 LEU 33 52.615 3.399 10.401
277 HD12 LEU 33 2HD1 LEU 33 52.794 3.422 12.156
278 HD13 LEU 33 3HD1 LEU 33 52.451 4.917 11.285
279 HD21 LEU 33 1HD2 LEU 33 48.930 4.444 10.747
280 HD22 LEU 33 2HD2 LEU 33 50.258 4.493 9.587
281 HD23 LEU 33 3HD2 LEU 33 50.234 5.613 10.949
282 H TRP 34 H TRP 34 48.736 0.233 12.718
283 HA TRP 34 HA TRP 34 48.181 1.897 14.929
284 HB2 TRP 34 1HB TRP 34 47.115 -0.819 14.167
285 HB3 TRP 34 2HB TRP 34 46.486 0.130 15.500
286 HD1 TRP 34 HD1 TRP 34 46.112 -0.425 11.873
287 HE1 TRP 34 HE1 TRP 34 44.527 1.328 10.849
288 HE3 TRP 34 HE3 TRP 34 45.830 2.881 15.755
289 HZ2 TRP 34 HZ2 TRP 34 43.298 3.811 11.579
290 HZ3 TRP 34 HZ3 TRP 34 44.449 4.927 15.564
291 HH2 TRP 34 HH2 TRP 34 43.184 5.397 13.487
292 H ALA 35 H ALA 35 49.513 -1.394 14.747
293 HA ALA 35 HA ALA 35 49.632 -1.891 17.510
294 HB1 ALA 35 1HB ALA 35 51.342 -2.932 15.243
295 HB2 ALA 35 2HB ALA 35 49.917 -3.701 15.942
296 HB3 ALA 35 3HB ALA 35 51.398 -3.563 16.890
297 H ALA 36 H ALA 36 51.985 -0.423 15.308
298 HA ALA 36 HA ALA 36 54.094 -0.113 17.141
299 HB1 ALA 36 1HB ALA 36 53.298 1.353 14.636
300 HB2 ALA 36 2HB ALA 36 54.649 0.248 14.888
301 HB3 ALA 36 3HB ALA 36 54.692 1.866 15.587
302 H ALA 37 H ALA 37 51.263 1.905 16.486
303 HA ALA 37 HA ALA 37 52.104 4.143 18.029
304 HB1 ALA 37 1HB ALA 37 49.908 4.975 17.731
305 HB2 ALA 37 2HB ALA 37 49.236 3.357 17.529
306 HB3 ALA 37 3HB ALA 37 50.251 4.054 16.266
307 H TRP 38 H TRP 38 50.215 1.246 18.785
308 HA TRP 38 HA TRP 38 49.249 2.033 21.296
309 HB2 TRP 38 1HB TRP 38 49.860 -0.661 20.111
310 HB3 TRP 38 2HB TRP 38 49.221 -0.488 21.735
311 HD1 TRP 38 HD1 TRP 38 48.183 -0.803 18.224
312 HE1 TRP 38 HE1 TRP 38 45.662 -0.335 17.970
313 HE3 TRP 38 HE3 TRP 38 47.206 1.253 22.793
314 HZ2 TRP 38 HZ2 TRP 38 43.510 0.769 19.505
315 HZ3 TRP 38 HZ3 TRP 38 44.918 2.002 23.372
316 HH2 TRP 38 HH2 TRP 38 43.071 1.765 21.738
317 H HIS 39 H HIS 39 52.377 0.701 20.366
318 HA HIS 39 HA HIS 39 53.207 0.758 23.214
319 HB2 HIS 39 1HB HIS 39 53.171 -1.497 22.189
320 HB3 HIS 39 2HB HIS 39 54.298 -0.939 20.968
321 HD1 HIS 39 HD1 HIS 39 56.768 -0.782 21.622
322 HD2 HIS 39 HD2 HIS 39 54.298 -1.805 24.821
323 HE1 HIS 39 HE1 HIS 39 58.298 -1.486 23.510
324 H GLY 40 H GLY 40 55.485 1.265 23.582
325 HA2 GLY 40 1HA GLY 40 57.528 2.291 23.048
326 HA3 GLY 40 2HA GLY 40 56.893 2.682 21.453
327 H GLN 41 H GLN 41 58.040 4.760 22.164
328 HA GLN 41 HA GLN 41 56.800 6.408 24.133
329 HB2 GLN 41 1HB GLN 41 58.243 8.172 23.288
330 HB3 GLN 41 2HB GLN 41 59.155 6.672 23.426
331 HG2 GLN 41 1HG GLN 41 58.653 6.280 20.961
332 HG3 GLN 41 2HG GLN 41 58.050 7.935 20.907
333 HE21 GLN 41 1HE2 GLN 41 59.715 8.965 19.721
334 HE22 GLN 41 2HE2 GLN 41 61.340 8.985 20.211
335 H LYS 42 H LYS 42 55.377 8.100 23.922
336 HA LYS 42 HA LYS 42 54.057 8.422 21.290
337 HB2 LYS 42 1HB LYS 42 52.712 7.089 22.973
338 HB3 LYS 42 2HB LYS 42 52.642 8.551 23.957
339 HG2 LYS 42 1HG LYS 42 51.609 9.769 22.071
340 HG3 LYS 42 2HG LYS 42 51.659 8.297 21.099
341 HD2 LYS 42 1HD LYS 42 50.251 8.446 23.773
342 HD3 LYS 42 2HD LYS 42 49.435 8.769 22.243
343 HE2 LYS 42 1HE LYS 42 50.307 6.492 21.463
344 HE3 LYS 42 2HE LYS 42 50.723 6.189 23.149
345 HZ1 LYS 42 1HZ LYS 42 48.152 6.194 21.873
346 HZ2 LYS 42 2HZ LYS 42 48.187 7.126 23.293
347 HZ3 LYS 42 3HZ LYS 42 48.632 5.487 23.339
348 HA PRO 43 HA PRO 43 55.333 12.544 22.925
349 HB2 PRO 43 1HB PRO 43 56.666 13.478 20.768
350 HB3 PRO 43 2HB PRO 43 57.426 12.379 21.937
351 HG2 PRO 43 1HG PRO 43 56.360 11.815 19.230
352 HG3 PRO 43 2HG PRO 43 57.758 11.118 20.068
353 HD2 PRO 43 1HD PRO 43 55.253 9.901 19.840
354 HD3 PRO 43 2HD PRO 43 56.509 9.461 21.015
355 H GLY 44 H GLY 44 54.618 14.685 22.305
356 HA2 GLY 44 1HA GLY 44 52.200 14.599 20.655
357 HA3 GLY 44 2HA GLY 44 52.643 15.873 21.785
358 H THR 45 H THR 45 54.724 14.509 19.272
359 HA THR 45 HA THR 45 54.479 17.006 17.721
360 HB THR 45 HB THR 45 56.455 17.196 19.187
361 HG1 THR 45 HG1 THR 45 56.658 18.218 17.274
362 HG21 THR 45 1HG2 THR 45 57.866 15.054 17.664
363 HG22 THR 45 2HG2 THR 45 56.790 14.553 18.968
364 HG23 THR 45 3HG2 THR 45 58.142 15.634 19.305
365 H HIS 46 H HIS 46 55.275 16.818 15.514
366 HA HIS 46 HA HIS 46 55.389 14.044 14.504
367 HB2 HIS 46 1HB HIS 46 53.703 16.286 13.382
368 HB3 HIS 46 2HB HIS 46 53.946 14.726 12.618
369 HD1 HIS 46 HD1 HIS 46 52.108 16.426 15.390
370 HD2 HIS 46 HD2 HIS 46 52.513 12.572 13.854
371 HE1 HIS 46 HE1 HIS 46 50.278 15.037 16.451
Start of MODEL 9
1 H ARG 1 3H ARG 1 24.164 5.524 -15.401
2 HA ARG 1 HA ARG 1 25.182 6.096 -18.122
3 HB2 ARG 1 1HB ARG 1 25.075 3.615 -16.382
4 HB3 ARG 1 2HB ARG 1 25.629 3.636 -18.057
5 HG2 ARG 1 1HG ARG 1 27.352 5.330 -17.421
6 HG3 ARG 1 2HG ARG 1 26.851 5.161 -15.738
7 HD2 ARG 1 1HD ARG 1 27.955 2.956 -17.502
8 HD3 ARG 1 2HD ARG 1 28.802 3.747 -16.175
9 HE ARG 1 HE ARG 1 26.793 1.684 -15.965
10 HH11 ARG 1 1HH1 ARG 1 28.303 4.354 -14.257
11 HH12 ARG 1 2HH1 ARG 1 27.887 3.723 -12.700
12 HH21 ARG 1 1HH2 ARG 1 26.285 0.923 -13.931
13 HH22 ARG 1 2HH2 ARG 1 26.759 1.804 -12.518
14 H SER 2 H SER 2 24.215 4.336 -19.649
15 HA SER 2 HA SER 2 21.505 4.920 -20.033
16 HB2 SER 2 1HB SER 2 23.057 2.532 -21.064
17 HB3 SER 2 2HB SER 2 21.535 3.136 -21.712
18 HG SER 2 HG SER 2 22.927 4.218 -22.922
19 H LEU 3 H LEU 3 19.619 3.775 -19.675
20 HA LEU 3 HA LEU 3 19.529 2.236 -17.311
21 HB2 LEU 3 1HB LEU 3 17.196 2.140 -17.533
22 HB3 LEU 3 2HB LEU 3 17.696 3.712 -18.110
23 HG LEU 3 HG LEU 3 16.038 3.031 -19.606
24 HD11 LEU 3 1HD1 LEU 3 18.573 2.155 -20.990
25 HD12 LEU 3 2HD1 LEU 3 18.037 3.821 -20.807
26 HD13 LEU 3 3HD1 LEU 3 17.082 2.686 -21.758
27 HD21 LEU 3 1HD2 LEU 3 17.221 0.372 -20.253
28 HD22 LEU 3 2HD2 LEU 3 15.538 0.896 -20.281
29 HD23 LEU 3 3HD2 LEU 3 16.326 0.546 -18.744
30 H LEU 4 H LEU 4 20.340 1.210 -20.429
31 HA LEU 4 HA LEU 4 19.093 -1.299 -20.599
32 HB2 LEU 4 1HB LEU 4 21.840 -0.505 -21.594
33 HB3 LEU 4 2HB LEU 4 20.899 -1.888 -22.146
34 HG LEU 4 HG LEU 4 20.000 1.000 -22.356
35 HD11 LEU 4 1HD1 LEU 4 20.987 -0.883 -24.519
36 HD12 LEU 4 2HD1 LEU 4 21.947 0.420 -23.820
37 HD13 LEU 4 3HD1 LEU 4 20.486 0.794 -24.735
38 HD21 LEU 4 1HD2 LEU 4 18.838 -1.650 -23.232
39 HD22 LEU 4 2HD2 LEU 4 18.365 -0.135 -24.001
40 HD23 LEU 4 3HD2 LEU 4 18.066 -0.380 -22.281
41 H GLU 5 H GLU 5 22.036 -0.281 -18.921
42 HA GLU 5 HA GLU 5 23.020 -2.846 -18.283
43 HB2 GLU 5 1HB GLU 5 23.306 -0.227 -16.793
44 HB3 GLU 5 2HB GLU 5 24.253 -1.679 -16.467
45 HG2 GLU 5 1HG GLU 5 25.047 -1.656 -18.824
46 HG3 GLU 5 2HG GLU 5 24.165 -0.158 -19.086
47 H GLY 6 H GLY 6 20.724 -0.723 -16.613
48 HA2 GLY 6 1HA GLY 6 19.108 -1.200 -15.047
49 HA3 GLY 6 2HA GLY 6 19.350 -2.902 -15.420
50 H GLU 7 H GLU 7 21.925 -0.784 -14.260
51 HA GLU 7 HA GLU 7 21.729 -1.969 -11.577
52 HB2 GLU 7 1HB GLU 7 24.213 -2.060 -13.306
53 HB3 GLU 7 2HB GLU 7 24.141 -2.518 -11.603
54 HG2 GLU 7 1HG GLU 7 22.518 -3.793 -13.823
55 HG3 GLU 7 2HG GLU 7 23.961 -4.489 -13.097
56 H ILE 8 H ILE 8 21.246 0.005 -10.664
57 HA ILE 8 HA ILE 8 23.307 2.121 -10.908
58 HB ILE 8 HB ILE 8 21.545 3.679 -10.150
59 HG12 ILE 8 1HG1 ILE 8 19.678 1.309 -10.466
60 HG13 ILE 8 2HG1 ILE 8 20.226 1.925 -8.906
61 HG21 ILE 8 1HG2 ILE 8 20.683 1.998 -12.522
62 HG22 ILE 8 2HG2 ILE 8 21.945 3.228 -12.575
63 HG23 ILE 8 3HG2 ILE 8 20.278 3.690 -12.232
64 HD11 ILE 8 1HD1 ILE 8 18.022 2.867 -9.508
65 HD12 ILE 8 2HD1 ILE 8 18.712 3.525 -10.992
66 HD13 ILE 8 3HD1 ILE 8 19.253 4.129 -9.425
67 HA PRO 9 HA PRO 9 23.929 1.442 -6.547
68 HB2 PRO 9 1HB PRO 9 25.343 3.635 -5.861
69 HB3 PRO 9 2HB PRO 9 26.010 2.402 -6.950
70 HG2 PRO 9 1HG PRO 9 24.963 5.094 -7.566
71 HG3 PRO 9 2HG PRO 9 26.232 4.159 -8.370
72 HD2 PRO 9 1HD PRO 9 23.549 4.425 -9.230
73 HD3 PRO 9 2HD PRO 9 24.758 3.294 -9.871
74 H PHE 10 H PHE 10 21.535 1.702 -6.228
75 HA PHE 10 HA PHE 10 20.796 4.286 -5.011
76 HB2 PHE 10 1HB PHE 10 19.494 2.849 -6.950
77 HB3 PHE 10 2HB PHE 10 18.634 2.349 -5.510
78 HD1 PHE 10 HD1 PHE 10 19.767 5.368 -7.394
79 HD2 PHE 10 HD2 PHE 10 16.973 3.723 -4.576
80 HE1 PHE 10 HE1 PHE 10 18.456 7.471 -7.467
81 HE2 PHE 10 HE2 PHE 10 15.662 5.828 -4.649
82 HZ PHE 10 HZ PHE 10 16.402 7.701 -6.094
83 HA PRO 11 HA PRO 11 18.849 1.008 -2.011
84 HB2 PRO 11 1HB PRO 11 20.917 -1.135 -2.187
85 HB3 PRO 11 2HB PRO 11 19.165 -1.272 -1.943
86 HG2 PRO 11 1HG PRO 11 20.284 -1.835 -4.284
87 HG3 PRO 11 2HG PRO 11 18.697 -1.050 -4.177
88 HD2 PRO 11 1HD PRO 11 21.334 0.140 -4.911
89 HD3 PRO 11 2HD PRO 11 19.706 0.559 -5.483
90 HA PRO 12 HA PRO 12 21.821 2.794 0.884
91 HB2 PRO 12 1HB PRO 12 20.471 1.259 3.038
92 HB3 PRO 12 2HB PRO 12 20.712 3.008 2.875
93 HG2 PRO 12 1HG PRO 12 18.325 1.870 2.532
94 HG3 PRO 12 2HG PRO 12 18.839 3.287 1.599
95 HD2 PRO 12 1HD PRO 12 18.684 0.426 0.734
96 HD3 PRO 12 2HD PRO 12 18.352 1.909 -0.190
97 H THR 13 H THR 13 20.948 -0.623 1.421
98 HA THR 13 HA THR 13 23.283 -1.368 2.796
99 HB THR 13 HB THR 13 21.281 -2.755 2.787
100 HG1 THR 13 HG1 THR 13 23.492 -4.009 1.528
101 HG21 THR 13 1HG2 THR 13 20.643 -2.267 0.419
102 HG22 THR 13 2HG2 THR 13 20.598 -3.987 0.804
103 HG23 THR 13 3HG2 THR 13 21.951 -3.323 -0.113
104 H SER 14 H SER 14 22.883 -0.678 -0.572
105 HA SER 14 HA SER 14 24.895 -2.598 -1.459
106 HB2 SER 14 1HB SER 14 23.389 -0.454 -2.983
107 HB3 SER 14 2HB SER 14 24.466 -1.648 -3.700
108 HG SER 14 HG SER 14 22.338 -2.383 -3.801
109 H ILE 15 H ILE 15 24.432 0.917 -1.443
110 HA ILE 15 HA ILE 15 27.117 1.585 -2.075
111 HB ILE 15 HB ILE 15 25.254 3.193 -2.251
112 HG12 ILE 15 1HG1 ILE 15 27.256 4.188 -0.217
113 HG13 ILE 15 2HG1 ILE 15 27.701 3.853 -1.892
114 HG21 ILE 15 1HG2 ILE 15 24.037 2.508 -0.202
115 HG22 ILE 15 2HG2 ILE 15 24.341 4.244 -0.237
116 HG23 ILE 15 3HG2 ILE 15 25.330 3.198 0.781
117 HD11 ILE 15 1HD1 ILE 15 25.441 5.706 -1.094
118 HD12 ILE 15 2HD1 ILE 15 26.106 5.473 -2.712
119 HD13 ILE 15 3HD1 ILE 15 27.076 6.256 -1.463
120 H LEU 16 H LEU 16 25.442 0.885 0.957
121 HA LEU 16 HA LEU 16 27.532 1.610 2.728
122 HB2 LEU 16 1HB LEU 16 25.143 1.103 3.345
123 HB3 LEU 16 2HB LEU 16 25.511 -0.605 3.119
124 HG LEU 16 HG LEU 16 27.315 1.013 4.886
125 HD11 LEU 16 1HD1 LEU 16 24.547 0.030 5.620
126 HD12 LEU 16 2HD1 LEU 16 25.176 1.672 5.760
127 HD13 LEU 16 3HD1 LEU 16 25.789 0.400 6.817
128 HD21 LEU 16 1HD2 LEU 16 26.441 -1.842 4.568
129 HD22 LEU 16 2HD2 LEU 16 27.051 -1.308 6.135
130 HD23 LEU 16 3HD2 LEU 16 28.071 -1.186 4.703
131 H LEU 17 H LEU 17 26.840 -1.346 0.912
132 HA LEU 17 HA LEU 17 28.662 -3.039 2.265
133 HB2 LEU 17 1HB LEU 17 26.838 -3.831 0.762
134 HB3 LEU 17 2HB LEU 17 27.752 -3.221 -0.618
135 HG LEU 17 HG LEU 17 29.684 -4.677 0.155
136 HD11 LEU 17 1HD1 LEU 17 27.494 -5.655 2.001
137 HD12 LEU 17 2HD1 LEU 17 29.107 -5.091 2.439
138 HD13 LEU 17 3HD1 LEU 17 28.908 -6.633 1.605
139 HD21 LEU 17 1HD2 LEU 17 28.096 -5.286 -1.691
140 HD22 LEU 17 2HD2 LEU 17 27.112 -6.144 -0.506
141 HD23 LEU 17 3HD2 LEU 17 28.753 -6.689 -0.850
142 H LEU 18 H LEU 18 28.977 -1.083 -0.678
143 HA LEU 18 HA LEU 18 31.637 -1.754 -1.305
144 HB2 LEU 18 1HB LEU 18 30.218 0.886 -1.749
145 HB3 LEU 18 2HB LEU 18 31.677 0.343 -2.578
146 HG LEU 18 HG LEU 18 29.009 -1.097 -2.669
147 HD11 LEU 18 1HD1 LEU 18 28.842 1.011 -3.865
148 HD12 LEU 18 2HD1 LEU 18 28.999 -0.288 -5.048
149 HD13 LEU 18 3HD1 LEU 18 30.390 0.725 -4.662
150 HD21 LEU 18 1HD2 LEU 18 30.258 -2.163 -4.691
151 HD22 LEU 18 2HD2 LEU 18 30.682 -2.713 -3.070
152 HD23 LEU 18 3HD2 LEU 18 31.720 -1.561 -3.911
153 H LEU 19 H LEU 19 30.281 0.782 0.780
154 HA LEU 19 HA LEU 19 32.694 2.032 1.502
155 HB2 LEU 19 1HB LEU 19 30.419 2.907 2.025
156 HB3 LEU 19 2HB LEU 19 30.247 1.642 3.242
157 HG LEU 19 HG LEU 19 32.377 2.522 4.306
158 HD11 LEU 19 1HD1 LEU 19 32.748 5.013 3.677
159 HD12 LEU 19 2HD1 LEU 19 31.903 4.610 2.182
160 HD13 LEU 19 3HD1 LEU 19 33.405 3.783 2.596
161 HD21 LEU 19 1HD2 LEU 19 31.225 4.388 5.412
162 HD22 LEU 19 2HD2 LEU 19 30.103 3.050 5.163
163 HD23 LEU 19 3HD2 LEU 19 30.047 4.457 4.102
164 H ALA 20 H ALA 20 31.066 -0.823 2.814
165 HA ALA 20 HA ALA 20 32.664 -1.136 5.118
166 HB1 ALA 20 1HB ALA 20 30.457 -2.307 4.518
167 HB2 ALA 20 2HB ALA 20 31.687 -3.273 5.332
168 HB3 ALA 20 3HB ALA 20 31.450 -3.432 3.592
169 H CYS 21 H CYS 21 33.007 -2.430 1.830
170 HA CYS 21 HA CYS 21 35.172 -4.152 2.339
171 HB2 CYS 21 1HB CYS 21 34.413 -2.667 -0.187
172 HB3 CYS 21 2HB CYS 21 35.611 -3.958 -0.108
173 HG CYS 21 HG CYS 21 33.719 -5.621 0.578
174 H ILE 22 H ILE 22 35.096 -0.764 1.269
175 HA ILE 22 HA ILE 22 37.865 -0.448 0.882
176 HB ILE 22 HB ILE 22 35.855 1.646 1.760
177 HG12 ILE 22 1HG1 ILE 22 36.782 0.894 -1.030
178 HG13 ILE 22 2HG1 ILE 22 35.255 0.364 -0.324
179 HG21 ILE 22 1HG2 ILE 22 38.512 1.905 0.314
180 HG22 ILE 22 2HG2 ILE 22 38.227 2.340 1.999
181 HG23 ILE 22 3HG2 ILE 22 37.417 3.230 0.710
182 HD11 ILE 22 1HD1 ILE 22 34.734 2.828 0.080
183 HD12 ILE 22 2HD1 ILE 22 34.739 2.314 -1.606
184 HD13 ILE 22 3HD1 ILE 22 36.119 3.195 -0.949
185 H PHE 23 H PHE 23 35.844 0.093 3.744
186 HA PHE 23 HA PHE 23 37.822 1.191 5.413
187 HB2 PHE 23 1HB PHE 23 35.366 1.163 5.861
188 HB3 PHE 23 2HB PHE 23 35.489 -0.548 6.220
189 HD1 PHE 23 HD1 PHE 23 36.423 2.856 7.328
190 HD2 PHE 23 HD2 PHE 23 36.364 -1.320 8.331
191 HE1 PHE 23 HE1 PHE 23 36.966 3.414 9.682
192 HE2 PHE 23 HE2 PHE 23 36.909 -0.763 10.684
193 HZ PHE 23 HZ PHE 23 37.210 1.604 11.361
194 H LEU 24 H LEU 24 36.793 -2.173 4.927
195 HA LEU 24 HA LEU 24 38.312 -3.333 6.978
196 HB2 LEU 24 1HB LEU 24 36.503 -4.485 5.709
197 HB3 LEU 24 2HB LEU 24 37.585 -4.587 4.320
198 HG LEU 24 HG LEU 24 39.237 -5.785 5.830
199 HD11 LEU 24 1HD1 LEU 24 36.866 -5.532 7.662
200 HD12 LEU 24 2HD1 LEU 24 38.574 -5.288 8.021
201 HD13 LEU 24 3HD1 LEU 24 37.943 -6.921 7.806
202 HD21 LEU 24 1HD2 LEU 24 37.908 -7.055 4.247
203 HD22 LEU 24 2HD2 LEU 24 36.506 -7.001 5.316
204 HD23 LEU 24 3HD2 LEU 24 37.929 -7.937 5.773
205 H ILE 25 H ILE 25 39.124 -2.666 3.595
206 HA ILE 25 HA ILE 25 41.631 -3.963 3.576
207 HB ILE 25 HB ILE 25 40.722 -1.572 1.950
208 HG12 ILE 25 1HG1 ILE 25 40.690 -4.519 1.242
209 HG13 ILE 25 2HG1 ILE 25 39.282 -3.657 1.859
210 HG21 ILE 25 1HG2 ILE 25 42.922 -3.612 1.471
211 HG22 ILE 25 2HG2 ILE 25 43.162 -1.907 1.850
212 HG23 ILE 25 3HG2 ILE 25 42.415 -2.374 0.322
213 HD11 ILE 25 1HD1 ILE 25 39.313 -3.770 -0.633
214 HD12 ILE 25 2HD1 ILE 25 40.827 -2.865 -0.626
215 HD13 ILE 25 3HD1 ILE 25 39.348 -2.112 -0.030
216 H LYS 26 H LYS 26 40.725 -0.627 4.408
217 HA LYS 26 HA LYS 26 43.323 0.440 4.455
218 HB2 LYS 26 1HB LYS 26 41.236 1.789 4.470
219 HB3 LYS 26 2HB LYS 26 40.965 1.303 6.143
220 HG2 LYS 26 1HG LYS 26 43.170 2.286 6.755
221 HG3 LYS 26 2HG LYS 26 43.356 2.843 5.093
222 HD2 LYS 26 1HD LYS 26 41.207 4.112 5.338
223 HD3 LYS 26 2HD LYS 26 41.185 3.660 7.043
224 HE2 LYS 26 1HE LYS 26 43.506 4.693 7.221
225 HE3 LYS 26 2HE LYS 26 43.237 5.359 5.609
226 HZ1 LYS 26 1HZ LYS 26 42.617 6.909 7.381
227 HZ2 LYS 26 2HZ LYS 26 41.463 5.798 7.950
228 HZ3 LYS 26 3HZ LYS 26 41.290 6.495 6.410
229 H ILE 27 H ILE 27 41.386 -1.028 7.044
230 HA ILE 27 HA ILE 27 43.507 -0.726 8.981
231 HB ILE 27 HB ILE 27 40.931 -2.315 9.086
232 HG12 ILE 27 1HG1 ILE 27 40.585 -0.377 10.875
233 HG13 ILE 27 2HG1 ILE 27 41.813 0.436 9.907
234 HG21 ILE 27 1HG2 ILE 27 41.450 -2.191 11.627
235 HG22 ILE 27 2HG2 ILE 27 43.119 -1.907 11.131
236 HG23 ILE 27 3HG2 ILE 27 42.307 -3.405 10.677
237 HD11 ILE 27 1HD1 ILE 27 39.299 0.756 9.296
238 HD12 ILE 27 2HD1 ILE 27 39.444 -0.846 8.573
239 HD13 ILE 27 3HD1 ILE 27 40.460 0.475 8.001
240 H LEU 28 H LEU 28 42.525 -3.255 6.739
241 HA LEU 28 HA LEU 28 43.765 -5.458 7.925
242 HB2 LEU 28 1HB LEU 28 42.223 -5.553 5.971
243 HB3 LEU 28 2HB LEU 28 43.510 -4.894 4.962
244 HG LEU 28 HG LEU 28 44.955 -6.839 5.718
245 HD11 LEU 28 1HD1 LEU 28 42.315 -7.570 6.967
246 HD12 LEU 28 2HD1 LEU 28 43.932 -7.654 7.667
247 HD13 LEU 28 3HD1 LEU 28 43.434 -8.832 6.453
248 HD21 LEU 28 1HD2 LEU 28 43.852 -6.811 3.517
249 HD22 LEU 28 2HD2 LEU 28 42.381 -7.466 4.237
250 HD23 LEU 28 3HD2 LEU 28 43.848 -8.444 4.185
251 H ALA 29 H ALA 29 45.067 -2.976 5.766
252 HA ALA 29 HA ALA 29 47.609 -4.063 5.324
253 HB1 ALA 29 1HB ALA 29 48.305 -1.582 5.163
254 HB2 ALA 29 2HB ALA 29 46.605 -1.227 5.472
255 HB3 ALA 29 3HB ALA 29 47.067 -2.160 4.047
256 H ALA 30 H ALA 30 46.444 -2.000 7.968
257 HA ALA 30 HA ALA 30 48.916 -2.009 9.407
258 HB1 ALA 30 1HB ALA 30 46.976 -0.347 9.612
259 HB2 ALA 30 2HB ALA 30 47.750 -0.871 11.108
260 HB3 ALA 30 3HB ALA 30 46.201 -1.563 10.627
261 H SER 31 H SER 31 46.320 -4.306 9.153
262 HA SER 31 HA SER 31 46.282 -5.458 11.680
263 HB2 SER 31 1HB SER 31 44.728 -6.010 9.805
264 HB3 SER 31 2HB SER 31 46.026 -6.927 9.049
265 HG SER 31 HG SER 31 45.301 -8.482 10.276
266 H ALA 32 H ALA 32 48.588 -5.945 9.042
267 HA ALA 32 HA ALA 32 49.823 -8.279 9.999
268 HB1 ALA 32 1HB ALA 32 51.124 -6.008 8.479
269 HB2 ALA 32 2HB ALA 32 50.189 -7.308 7.740
270 HB3 ALA 32 3HB ALA 32 51.699 -7.673 8.576
271 H LEU 33 H LEU 33 50.775 -4.864 10.486
272 HA LEU 33 HA LEU 33 53.012 -5.405 12.105
273 HB2 LEU 33 1HB LEU 33 51.221 -2.962 12.134
274 HB3 LEU 33 2HB LEU 33 52.858 -3.055 12.784
275 HG LEU 33 HG LEU 33 52.128 -3.546 9.881
276 HD11 LEU 33 1HD1 LEU 33 52.972 -1.363 9.413
277 HD12 LEU 33 2HD1 LEU 33 53.613 -1.182 11.046
278 HD13 LEU 33 3HD1 LEU 33 51.870 -1.160 10.774
279 HD21 LEU 33 1HD2 LEU 33 54.126 -4.737 10.338
280 HD22 LEU 33 2HD2 LEU 33 54.716 -3.492 11.441
281 HD23 LEU 33 3HD2 LEU 33 54.689 -3.191 9.703
282 H TRP 34 H TRP 34 49.605 -4.914 12.923
283 HA TRP 34 HA TRP 34 49.921 -4.735 15.721
284 HB2 TRP 34 1HB TRP 34 47.869 -4.149 14.395
285 HB3 TRP 34 2HB TRP 34 47.549 -5.866 14.240
286 HD1 TRP 34 HD1 TRP 34 46.396 -7.058 16.216
287 HE1 TRP 34 HE1 TRP 34 45.500 -6.282 18.504
288 HE3 TRP 34 HE3 TRP 34 48.395 -2.363 16.399
289 HZ2 TRP 34 HZ2 TRP 34 45.616 -3.970 20.194
290 HZ3 TRP 34 HZ3 TRP 34 47.989 -0.899 18.352
291 HH2 TRP 34 HH2 TRP 34 46.604 -1.693 20.248
292 H ALA 35 H ALA 35 49.303 -7.521 13.610
293 HA ALA 35 HA ALA 35 48.944 -9.430 15.648
294 HB1 ALA 35 1HB ALA 35 48.418 -9.645 13.151
295 HB2 ALA 35 2HB ALA 35 49.100 -11.065 13.945
296 HB3 ALA 35 3HB ALA 35 50.124 -10.039 12.942
297 H ALA 36 H ALA 36 51.850 -8.385 13.900
298 HA ALA 36 HA ALA 36 53.647 -10.257 14.970
299 HB1 ALA 36 1HB ALA 36 55.327 -8.290 14.591
300 HB2 ALA 36 2HB ALA 36 53.940 -7.484 13.859
301 HB3 ALA 36 3HB ALA 36 54.519 -9.015 13.201
302 H ALA 37 H ALA 37 52.543 -7.129 16.206
303 HA ALA 37 HA ALA 37 54.264 -7.017 18.456
304 HB1 ALA 37 1HB ALA 37 52.294 -5.538 19.351
305 HB2 ALA 37 2HB ALA 37 51.670 -5.712 17.710
306 HB3 ALA 37 3HB ALA 37 53.251 -4.980 17.978
307 H TRP 38 H TRP 38 51.072 -8.454 17.949
308 HA TRP 38 HA TRP 38 50.383 -9.027 20.590
309 HB2 TRP 38 1HB TRP 38 48.913 -9.311 18.603
310 HB3 TRP 38 2HB TRP 38 49.837 -10.736 18.163
311 HD1 TRP 38 HD1 TRP 38 49.098 -12.958 19.181
312 HE1 TRP 38 HE1 TRP 38 47.381 -13.663 20.968
313 HE3 TRP 38 HE3 TRP 38 47.777 -8.370 20.990
314 HZ2 TRP 38 HZ2 TRP 38 45.670 -12.440 22.914
315 HZ3 TRP 38 HZ3 TRP 38 46.105 -8.168 22.805
316 HH2 TRP 38 HH2 TRP 38 45.050 -10.192 23.769
317 H HIS 39 H HIS 39 52.516 -10.776 18.375
318 HA HIS 39 HA HIS 39 52.786 -13.087 20.042
319 HB2 HIS 39 1HB HIS 39 54.516 -12.037 17.801
320 HB3 HIS 39 2HB HIS 39 54.721 -13.601 18.567
321 HD1 HIS 39 HD1 HIS 39 52.748 -11.802 16.010
322 HD2 HIS 39 HD2 HIS 39 52.556 -15.467 17.987
323 HE1 HIS 39 HE1 HIS 39 51.106 -13.229 14.714
324 H GLY 40 H GLY 40 54.642 -13.729 21.237
325 HA2 GLY 40 1HA GLY 40 56.760 -13.297 22.262
326 HA3 GLY 40 2HA GLY 40 56.494 -11.577 22.021
327 H GLN 41 H GLN 41 53.622 -12.017 23.083
328 HA GLN 41 HA GLN 41 54.373 -11.786 25.917
329 HB2 GLN 41 1HB GLN 41 53.063 -9.948 24.856
330 HB3 GLN 41 2HB GLN 41 51.752 -11.093 24.569
331 HG2 GLN 41 1HG GLN 41 51.567 -11.519 26.978
332 HG3 GLN 41 2HG GLN 41 52.910 -10.422 27.289
333 HE21 GLN 41 1HE2 GLN 41 50.570 -9.796 28.575
334 HE22 GLN 41 2HE2 GLN 41 49.810 -8.467 27.842
335 H LYS 42 H LYS 42 54.068 -13.466 27.215
336 HA LYS 42 HA LYS 42 52.621 -15.788 26.372
337 HB2 LYS 42 1HB LYS 42 54.677 -15.787 27.831
338 HB3 LYS 42 2HB LYS 42 53.675 -15.155 29.137
339 HG2 LYS 42 1HG LYS 42 52.210 -17.132 28.975
340 HG3 LYS 42 2HG LYS 42 53.209 -17.767 27.667
341 HD2 LYS 42 1HD LYS 42 54.435 -17.052 30.324
342 HD3 LYS 42 2HD LYS 42 53.666 -18.621 30.079
343 HE2 LYS 42 1HE LYS 42 55.738 -17.572 28.153
344 HE3 LYS 42 2HE LYS 42 56.199 -18.464 29.603
345 HZ1 LYS 42 1HZ LYS 42 54.235 -19.480 27.629
346 HZ2 LYS 42 2HZ LYS 42 54.976 -20.339 28.893
347 HZ3 LYS 42 3HZ LYS 42 55.892 -19.837 27.552
348 HA PRO 43 HA PRO 43 48.557 -14.544 27.871
349 HB2 PRO 43 1HB PRO 43 47.780 -17.049 28.944
350 HB3 PRO 43 2HB PRO 43 47.449 -16.444 27.312
351 HG2 PRO 43 1HG PRO 43 49.562 -18.289 28.246
352 HG3 PRO 43 2HG PRO 43 48.691 -18.244 26.702
353 HD2 PRO 43 1HD PRO 43 51.232 -17.392 26.868
354 HD3 PRO 43 2HD PRO 43 50.058 -16.573 25.814
355 H GLY 44 H GLY 44 47.446 -14.179 29.883
356 HA2 GLY 44 1HA GLY 44 48.419 -15.110 32.390
357 HA3 GLY 44 2HA GLY 44 49.054 -13.503 32.046
358 H THR 45 H THR 45 47.712 -13.208 34.120
359 HA THR 45 HA THR 45 44.845 -13.053 33.769
360 HB THR 45 HB THR 45 44.819 -12.180 36.046
361 HG1 THR 45 HG1 THR 45 47.567 -11.920 35.531
362 HG21 THR 45 1HG2 THR 45 45.856 -14.073 37.189
363 HG22 THR 45 2HG2 THR 45 46.850 -14.412 35.771
364 HG23 THR 45 3HG2 THR 45 45.101 -14.626 35.694
365 H HIS 46 H HIS 46 43.661 -11.019 34.187
366 HA HIS 46 HA HIS 46 44.331 -9.016 32.356
367 HB2 HIS 46 1HB HIS 46 42.549 -8.840 34.788
368 HB3 HIS 46 2HB HIS 46 42.589 -7.672 33.481
369 HD1 HIS 46 HD1 HIS 46 41.344 -11.072 34.392
370 HD2 HIS 46 HD2 HIS 46 41.348 -8.572 31.054
371 HE1 HIS 46 HE1 HIS 46 39.697 -12.069 32.748
Start of MODEL 10
1 H ARG 1 3H ARG 1 7.693 6.672 -1.419
2 HA ARG 1 HA ARG 1 8.553 6.516 -3.609
3 HB2 ARG 1 1HB ARG 1 8.612 3.848 -2.166
4 HB3 ARG 1 2HB ARG 1 9.717 4.315 -3.460
5 HG2 ARG 1 1HG ARG 1 10.491 6.233 -2.120
6 HG3 ARG 1 2HG ARG 1 9.383 5.781 -0.826
7 HD2 ARG 1 1HD ARG 1 11.547 4.914 -0.241
8 HD3 ARG 1 2HD ARG 1 10.550 3.547 -0.718
9 HE ARG 1 HE ARG 1 12.817 4.666 -2.193
10 HH11 ARG 1 1HH1 ARG 1 10.137 2.392 -2.220
11 HH12 ARG 1 2HH1 ARG 1 10.844 1.429 -3.471
12 HH21 ARG 1 1HH2 ARG 1 13.666 3.386 -3.808
13 HH22 ARG 1 2HH2 ARG 1 12.812 1.984 -4.360
14 H SER 2 H SER 2 6.492 6.753 -4.851
15 HA SER 2 HA SER 2 4.926 4.568 -5.673
16 HB2 SER 2 1HB SER 2 4.048 6.016 -7.342
17 HB3 SER 2 2HB SER 2 4.442 7.052 -5.975
18 HG SER 2 HG SER 2 5.688 6.775 -8.467
19 H LEU 3 H LEU 3 4.957 3.299 -7.529
20 HA LEU 3 HA LEU 3 7.458 2.404 -8.475
21 HB2 LEU 3 1HB LEU 3 4.729 2.076 -9.743
22 HB3 LEU 3 2HB LEU 3 6.161 1.113 -10.105
23 HG LEU 3 HG LEU 3 4.878 1.313 -7.364
24 HD11 LEU 3 1HD1 LEU 3 3.439 0.144 -9.018
25 HD12 LEU 3 2HD1 LEU 3 4.066 -0.963 -7.796
26 HD13 LEU 3 3HD1 LEU 3 4.784 -0.929 -9.407
27 HD21 LEU 3 1HD2 LEU 3 7.169 -0.288 -8.525
28 HD22 LEU 3 2HD2 LEU 3 6.343 -0.773 -7.043
29 HD23 LEU 3 3HD2 LEU 3 7.189 0.773 -7.115
30 H LEU 4 H LEU 4 5.340 4.945 -9.625
31 HA LEU 4 HA LEU 4 6.078 5.032 -12.326
32 HB2 LEU 4 1HB LEU 4 5.283 7.336 -10.534
33 HB3 LEU 4 2HB LEU 4 5.241 7.332 -12.296
34 HG LEU 4 HG LEU 4 3.667 5.434 -10.530
35 HD11 LEU 4 1HD1 LEU 4 2.596 7.492 -10.217
36 HD12 LEU 4 2HD1 LEU 4 1.749 6.851 -11.625
37 HD13 LEU 4 3HD1 LEU 4 3.012 8.065 -11.833
38 HD21 LEU 4 1HD2 LEU 4 3.965 4.345 -12.598
39 HD22 LEU 4 2HD2 LEU 4 3.918 5.856 -13.505
40 HD23 LEU 4 3HD2 LEU 4 2.434 5.193 -12.819
41 H GLU 5 H GLU 5 7.713 6.276 -9.468
42 HA GLU 5 HA GLU 5 9.381 8.177 -10.706
43 HB2 GLU 5 1HB GLU 5 9.905 6.439 -8.281
44 HB3 GLU 5 2HB GLU 5 10.867 7.843 -8.744
45 HG2 GLU 5 1HG GLU 5 8.820 9.252 -8.611
46 HG3 GLU 5 2HG GLU 5 7.914 7.849 -8.063
47 H GLY 6 H GLY 6 9.869 4.718 -10.074
48 HA2 GLY 6 1HA GLY 6 10.911 3.171 -11.461
49 HA3 GLY 6 2HA GLY 6 11.419 4.487 -12.506
50 H GLU 7 H GLU 7 12.779 6.015 -10.415
51 HA GLU 7 HA GLU 7 15.198 4.325 -10.282
52 HB2 GLU 7 1HB GLU 7 15.286 6.403 -11.675
53 HB3 GLU 7 2HB GLU 7 15.009 7.342 -10.208
54 HG2 GLU 7 1HG GLU 7 17.033 6.307 -9.197
55 HG3 GLU 7 2HG GLU 7 17.329 5.459 -10.708
56 H ILE 8 H ILE 8 16.385 4.162 -8.429
57 HA ILE 8 HA ILE 8 15.142 5.209 -5.965
58 HB ILE 8 HB ILE 8 15.272 2.759 -6.112
59 HG12 ILE 8 1HG1 ILE 8 17.289 3.876 -4.141
60 HG13 ILE 8 2HG1 ILE 8 15.539 3.917 -3.924
61 HG21 ILE 8 1HG2 ILE 8 18.265 3.200 -6.325
62 HG22 ILE 8 2HG2 ILE 8 17.222 2.606 -7.616
63 HG23 ILE 8 3HG2 ILE 8 17.466 1.636 -6.166
64 HD11 ILE 8 1HD1 ILE 8 16.521 2.000 -2.728
65 HD12 ILE 8 2HD1 ILE 8 17.208 1.406 -4.240
66 HD13 ILE 8 3HD1 ILE 8 15.459 1.457 -4.025
67 HA PRO 9 HA PRO 9 18.865 7.656 -5.822
68 HB2 PRO 9 1HB PRO 9 18.593 8.856 -3.406
69 HB3 PRO 9 2HB PRO 9 17.553 9.247 -4.789
70 HG2 PRO 9 1HG PRO 9 16.946 7.712 -2.361
71 HG3 PRO 9 2HG PRO 9 15.868 8.624 -3.426
72 HD2 PRO 9 1HD PRO 9 16.263 5.806 -3.392
73 HD3 PRO 9 2HD PRO 9 15.294 6.741 -4.549
74 H PHE 10 H PHE 10 20.307 5.773 -5.742
75 HA PHE 10 HA PHE 10 22.102 4.644 -4.850
76 HB2 PHE 10 1HB PHE 10 21.915 6.825 -2.772
77 HB3 PHE 10 2HB PHE 10 23.273 5.735 -2.977
78 HD1 PHE 10 HD1 PHE 10 24.272 5.688 -5.456
79 HD2 PHE 10 HD2 PHE 10 21.999 8.914 -3.762
80 HE1 PHE 10 HE1 PHE 10 25.255 7.251 -7.114
81 HE2 PHE 10 HE2 PHE 10 22.982 10.477 -5.418
82 HZ PHE 10 HZ PHE 10 24.610 9.646 -7.094
83 HA PRO 11 HA PRO 11 19.203 2.315 -2.082
84 HB2 PRO 11 1HB PRO 11 21.171 0.168 -2.747
85 HB3 PRO 11 2HB PRO 11 19.398 0.105 -2.723
86 HG2 PRO 11 1HG PRO 11 20.757 0.221 -5.007
87 HG3 PRO 11 2HG PRO 11 19.197 1.038 -4.805
88 HD2 PRO 11 1HD PRO 11 21.928 2.219 -4.914
89 HD3 PRO 11 2HD PRO 11 20.370 2.921 -5.403
90 HA PRO 12 HA PRO 12 21.778 2.974 1.454
91 HB2 PRO 12 1HB PRO 12 20.618 1.338 3.342
92 HB3 PRO 12 2HB PRO 12 19.959 2.908 2.847
93 HG2 PRO 12 1HG PRO 12 19.145 0.174 2.023
94 HG3 PRO 12 2HG PRO 12 18.150 1.606 2.342
95 HD2 PRO 12 1HD PRO 12 18.744 0.778 -0.183
96 HD3 PRO 12 2HD PRO 12 18.480 2.486 0.231
97 H THR 13 H THR 13 20.893 -0.497 1.487
98 HA THR 13 HA THR 13 23.242 -1.390 2.709
99 HB THR 13 HB THR 13 21.237 -2.766 2.558
100 HG1 THR 13 HG1 THR 13 23.091 -3.925 2.817
101 HG21 THR 13 1HG2 THR 13 21.894 -2.980 -0.394
102 HG22 THR 13 2HG2 THR 13 20.563 -2.036 0.277
103 HG23 THR 13 3HG2 THR 13 20.570 -3.793 0.442
104 H SER 14 H SER 14 22.855 -0.300 -0.548
105 HA SER 14 HA SER 14 24.768 -2.172 -1.695
106 HB2 SER 14 1HB SER 14 23.409 0.251 -2.905
107 HB3 SER 14 2HB SER 14 24.393 -0.916 -3.781
108 HG SER 14 HG SER 14 22.129 -1.631 -2.230
109 H ILE 15 H ILE 15 24.522 1.345 -1.278
110 HA ILE 15 HA ILE 15 27.249 1.904 -1.816
111 HB ILE 15 HB ILE 15 25.487 3.633 -1.841
112 HG12 ILE 15 1HG1 ILE 15 27.515 4.292 0.301
113 HG13 ILE 15 2HG1 ILE 15 27.965 4.103 -1.394
114 HG21 ILE 15 1HG2 ILE 15 24.613 4.526 0.268
115 HG22 ILE 15 2HG2 ILE 15 25.519 3.315 1.174
116 HG23 ILE 15 3HG2 ILE 15 24.200 2.819 0.114
117 HD11 ILE 15 1HD1 ILE 15 27.549 6.448 -1.019
118 HD12 ILE 15 2HD1 ILE 15 26.006 6.102 -0.237
119 HD13 ILE 15 3HD1 ILE 15 26.203 5.817 -1.967
120 H LEU 16 H LEU 16 25.491 0.990 1.112
121 HA LEU 16 HA LEU 16 27.571 1.409 2.983
122 HB2 LEU 16 1HB LEU 16 25.162 0.905 3.500
123 HB3 LEU 16 2HB LEU 16 25.475 -0.772 3.058
124 HG LEU 16 HG LEU 16 27.299 0.540 5.047
125 HD11 LEU 16 1HD1 LEU 16 25.009 1.104 5.815
126 HD12 LEU 16 2HD1 LEU 16 25.786 -0.058 6.888
127 HD13 LEU 16 3HD1 LEU 16 24.571 -0.602 5.730
128 HD21 LEU 16 1HD2 LEU 16 26.355 -2.219 4.330
129 HD22 LEU 16 2HD2 LEU 16 26.924 -1.923 5.972
130 HD23 LEU 16 3HD2 LEU 16 27.995 -1.638 4.604
131 H LEU 17 H LEU 17 26.848 -1.267 0.789
132 HA LEU 17 HA LEU 17 28.582 -3.168 1.992
133 HB2 LEU 17 1HB LEU 17 26.673 -3.385 0.147
134 HB3 LEU 17 2HB LEU 17 28.034 -3.223 -0.950
135 HG LEU 17 HG LEU 17 27.616 -5.574 -0.564
136 HD11 LEU 17 1HD1 LEU 17 29.776 -6.290 -0.025
137 HD12 LEU 17 2HD1 LEU 17 29.999 -5.028 1.186
138 HD13 LEU 17 3HD1 LEU 17 30.037 -4.621 -0.530
139 HD21 LEU 17 1HD2 LEU 17 28.165 -5.237 2.374
140 HD22 LEU 17 2HD2 LEU 17 27.377 -6.576 1.540
141 HD23 LEU 17 3HD2 LEU 17 26.531 -5.041 1.740
142 H LEU 18 H LEU 18 28.993 -0.969 -0.765
143 HA LEU 18 HA LEU 18 31.630 -1.712 -1.416
144 HB2 LEU 18 1HB LEU 18 29.972 0.749 -1.870
145 HB3 LEU 18 2HB LEU 18 31.692 0.798 -2.232
146 HG LEU 18 HG LEU 18 30.300 0.225 -4.210
147 HD11 LEU 18 1HD1 LEU 18 31.910 -2.207 -3.476
148 HD12 LEU 18 2HD1 LEU 18 32.691 -0.651 -3.753
149 HD13 LEU 18 3HD1 LEU 18 31.758 -1.411 -5.042
150 HD21 LEU 18 1HD2 LEU 18 28.519 -1.028 -3.051
151 HD22 LEU 18 2HD2 LEU 18 29.668 -2.309 -2.667
152 HD23 LEU 18 3HD2 LEU 18 29.234 -1.988 -4.345
153 H LEU 19 H LEU 19 30.358 0.749 0.804
154 HA LEU 19 HA LEU 19 32.830 1.858 1.572
155 HB2 LEU 19 1HB LEU 19 30.240 1.582 3.110
156 HB3 LEU 19 2HB LEU 19 31.613 2.547 3.653
157 HG LEU 19 HG LEU 19 30.278 2.932 0.963
158 HD11 LEU 19 1HD1 LEU 19 29.101 4.818 1.938
159 HD12 LEU 19 2HD1 LEU 19 29.895 4.561 3.491
160 HD13 LEU 19 3HD1 LEU 19 28.728 3.382 2.891
161 HD21 LEU 19 1HD2 LEU 19 32.460 3.852 0.910
162 HD22 LEU 19 2HD2 LEU 19 32.358 4.405 2.581
163 HD23 LEU 19 3HD2 LEU 19 31.431 5.223 1.323
164 H ALA 20 H ALA 20 31.087 -0.989 2.739
165 HA ALA 20 HA ALA 20 32.621 -1.444 5.061
166 HB1 ALA 20 1HB ALA 20 30.403 -2.557 4.212
167 HB2 ALA 20 2HB ALA 20 31.523 -3.486 5.210
168 HB3 ALA 20 3HB ALA 20 31.499 -3.717 3.462
169 H CYS 21 H CYS 21 32.995 -2.633 1.733
170 HA CYS 21 HA CYS 21 35.150 -4.378 2.224
171 HB2 CYS 21 1HB CYS 21 34.422 -2.839 -0.280
172 HB3 CYS 21 2HB CYS 21 35.607 -4.143 -0.214
173 HG CYS 21 HG CYS 21 33.030 -4.916 -0.822
174 H ILE 22 H ILE 22 35.095 -0.967 1.226
175 HA ILE 22 HA ILE 22 37.869 -0.661 0.864
176 HB ILE 22 HB ILE 22 35.857 1.427 1.752
177 HG12 ILE 22 1HG1 ILE 22 36.834 0.721 -1.031
178 HG13 ILE 22 2HG1 ILE 22 35.294 0.181 -0.365
179 HG21 ILE 22 1HG2 ILE 22 37.433 3.035 0.799
180 HG22 ILE 22 2HG2 ILE 22 38.521 1.729 0.327
181 HG23 ILE 22 3HG2 ILE 22 38.253 2.080 2.034
182 HD11 ILE 22 1HD1 ILE 22 34.647 2.558 -0.006
183 HD12 ILE 22 2HD1 ILE 22 34.942 2.196 -1.706
184 HD13 ILE 22 3HD1 ILE 22 36.157 3.060 -0.765
185 H PHE 23 H PHE 23 35.836 -0.211 3.735
186 HA PHE 23 HA PHE 23 37.808 0.883 5.417
187 HB2 PHE 23 1HB PHE 23 35.377 0.877 5.895
188 HB3 PHE 23 2HB PHE 23 35.458 -0.852 6.182
189 HD1 PHE 23 HD1 PHE 23 36.508 -1.745 8.204
190 HD2 PHE 23 HD2 PHE 23 36.303 2.483 7.474
191 HE1 PHE 23 HE1 PHE 23 37.096 -1.308 10.573
192 HE2 PHE 23 HE2 PHE 23 36.891 2.921 9.843
193 HZ PHE 23 HZ PHE 23 37.287 1.025 11.392
194 H LEU 24 H LEU 24 36.823 -2.484 4.872
195 HA LEU 24 HA LEU 24 38.371 -3.653 6.905
196 HB2 LEU 24 1HB LEU 24 36.562 -4.808 5.640
197 HB3 LEU 24 2HB LEU 24 37.627 -4.871 4.235
198 HG LEU 24 HG LEU 24 39.313 -6.079 5.691
199 HD11 LEU 24 1HD1 LEU 24 38.217 -7.221 7.705
200 HD12 LEU 24 2HD1 LEU 24 36.937 -6.017 7.560
201 HD13 LEU 24 3HD1 LEU 24 38.592 -5.508 7.892
202 HD21 LEU 24 1HD2 LEU 24 37.837 -7.264 4.093
203 HD22 LEU 24 2HD2 LEU 24 36.597 -7.391 5.341
204 HD23 LEU 24 3HD2 LEU 24 38.131 -8.239 5.534
205 H ILE 25 H ILE 25 39.135 -2.967 3.507
206 HA ILE 25 HA ILE 25 41.654 -4.248 3.472
207 HB ILE 25 HB ILE 25 40.716 -1.883 1.824
208 HG12 ILE 25 1HG1 ILE 25 40.644 -4.847 1.188
209 HG13 ILE 25 2HG1 ILE 25 39.249 -3.931 1.757
210 HG21 ILE 25 1HG2 ILE 25 42.392 -2.666 0.197
211 HG22 ILE 25 2HG2 ILE 25 42.880 -3.949 1.305
212 HG23 ILE 25 3HG2 ILE 25 43.165 -2.261 1.730
213 HD11 ILE 25 1HD1 ILE 25 39.245 -4.099 -0.705
214 HD12 ILE 25 2HD1 ILE 25 40.834 -3.336 -0.759
215 HD13 ILE 25 3HD1 ILE 25 39.437 -2.424 -0.187
216 H LYS 26 H LYS 26 40.754 -0.866 4.118
217 HA LYS 26 HA LYS 26 43.381 0.142 4.201
218 HB2 LYS 26 1HB LYS 26 41.330 1.527 3.962
219 HB3 LYS 26 2HB LYS 26 40.946 1.202 5.651
220 HG2 LYS 26 1HG LYS 26 42.051 3.308 5.656
221 HG3 LYS 26 2HG LYS 26 43.265 2.155 6.204
222 HD2 LYS 26 1HD LYS 26 44.225 2.045 3.956
223 HD3 LYS 26 2HD LYS 26 42.967 3.120 3.345
224 HE2 LYS 26 1HE LYS 26 44.940 4.455 3.748
225 HE3 LYS 26 2HE LYS 26 43.757 4.855 4.993
226 HZ1 LYS 26 1HZ LYS 26 44.874 3.244 6.458
227 HZ2 LYS 26 2HZ LYS 26 45.888 4.529 6.001
228 HZ3 LYS 26 3HZ LYS 26 46.062 3.005 5.270
229 H ILE 27 H ILE 27 41.270 -1.070 6.791
230 HA ILE 27 HA ILE 27 43.062 -0.294 8.869
231 HB ILE 27 HB ILE 27 40.639 -0.560 9.222
232 HG12 ILE 27 1HG1 ILE 27 42.166 -2.495 10.970
233 HG13 ILE 27 2HG1 ILE 27 42.407 -0.749 11.058
234 HG21 ILE 27 1HG2 ILE 27 40.318 -2.591 7.846
235 HG22 ILE 27 2HG2 ILE 27 39.676 -2.793 9.475
236 HG23 ILE 27 3HG2 ILE 27 41.217 -3.530 9.039
237 HD11 ILE 27 1HD1 ILE 27 40.091 -0.388 11.638
238 HD12 ILE 27 2HD1 ILE 27 40.722 -1.637 12.711
239 HD13 ILE 27 3HD1 ILE 27 39.702 -2.082 11.342
240 H LEU 28 H LEU 28 42.545 -3.380 7.173
241 HA LEU 28 HA LEU 28 44.225 -4.907 8.870
242 HB2 LEU 28 1HB LEU 28 43.444 -5.343 5.979
243 HB3 LEU 28 2HB LEU 28 44.244 -6.540 6.997
244 HG LEU 28 HG LEU 28 41.589 -5.249 7.686
245 HD11 LEU 28 1HD1 LEU 28 42.158 -7.989 6.512
246 HD12 LEU 28 2HD1 LEU 28 41.439 -6.640 5.631
247 HD13 LEU 28 3HD1 LEU 28 40.575 -7.372 6.984
248 HD21 LEU 28 1HD2 LEU 28 41.572 -7.435 9.132
249 HD22 LEU 28 2HD2 LEU 28 42.515 -6.052 9.689
250 HD23 LEU 28 3HD2 LEU 28 43.319 -7.402 8.886
251 H ALA 29 H ALA 29 44.876 -3.056 5.920
252 HA ALA 29 HA ALA 29 47.459 -3.992 5.410
253 HB1 ALA 29 1HB ALA 29 46.443 -1.184 4.934
254 HB2 ALA 29 2HB ALA 29 46.099 -2.557 3.882
255 HB3 ALA 29 3HB ALA 29 47.759 -1.994 4.084
256 H ALA 30 H ALA 30 46.342 -1.470 7.623
257 HA ALA 30 HA ALA 30 49.086 -1.316 8.725
258 HB1 ALA 30 1HB ALA 30 47.187 0.997 8.268
259 HB2 ALA 30 2HB ALA 30 48.677 0.686 7.376
260 HB3 ALA 30 3HB ALA 30 48.745 1.099 9.089
261 H SER 31 H SER 31 46.989 -2.977 9.690
262 HA SER 31 HA SER 31 45.368 -1.876 11.674
263 HB2 SER 31 1HB SER 31 45.244 -4.228 10.828
264 HB3 SER 31 2HB SER 31 46.690 -4.595 11.762
265 HG SER 31 HG SER 31 44.081 -4.118 12.578
266 H ALA 32 H ALA 32 48.745 -2.931 11.835
267 HA ALA 32 HA ALA 32 49.044 -2.790 14.635
268 HB1 ALA 32 1HB ALA 32 50.777 -3.901 13.528
269 HB2 ALA 32 2HB ALA 32 51.522 -2.366 13.973
270 HB3 ALA 32 3HB ALA 32 50.956 -2.626 12.323
271 H LEU 33 H LEU 33 49.643 -0.347 12.105
272 HA LEU 33 HA LEU 33 50.724 1.614 13.819
273 HB2 LEU 33 1HB LEU 33 49.342 1.798 11.144
274 HB3 LEU 33 2HB LEU 33 49.999 3.211 11.970
275 HG LEU 33 HG LEU 33 52.170 1.751 12.164
276 HD11 LEU 33 1HD1 LEU 33 52.294 0.368 9.955
277 HD12 LEU 33 2HD1 LEU 33 50.535 0.355 10.055
278 HD13 LEU 33 3HD1 LEU 33 51.498 -0.349 11.354
279 HD21 LEU 33 1HD2 LEU 33 51.282 2.885 9.493
280 HD22 LEU 33 2HD2 LEU 33 52.948 2.666 10.028
281 HD23 LEU 33 3HD2 LEU 33 51.910 3.842 10.835
282 H TRP 34 H TRP 34 47.388 0.955 12.823
283 HA TRP 34 HA TRP 34 46.235 3.276 13.947
284 HB2 TRP 34 1HB TRP 34 45.187 0.589 13.147
285 HB3 TRP 34 2HB TRP 34 44.149 1.702 14.017
286 HD1 TRP 34 HD1 TRP 34 46.371 1.718 10.849
287 HE1 TRP 34 HE1 TRP 34 45.206 3.166 9.066
288 HE3 TRP 34 HE3 TRP 34 42.322 3.309 13.519
289 HZ2 TRP 34 HZ2 TRP 34 42.860 4.788 8.805
290 HZ3 TRP 34 HZ3 TRP 34 40.640 4.801 12.483
291 HH2 TRP 34 HH2 TRP 34 40.901 5.543 10.133
292 H ALA 35 H ALA 35 46.742 0.022 15.286
293 HA ALA 35 HA ALA 35 45.349 0.443 17.702
294 HB1 ALA 35 1HB ALA 35 46.312 -1.745 16.615
295 HB2 ALA 35 2HB ALA 35 46.181 -1.616 18.369
296 HB3 ALA 35 3HB ALA 35 47.738 -1.360 17.579
297 H ALA 36 H ALA 36 48.783 0.833 16.878
298 HA ALA 36 HA ALA 36 49.681 1.507 19.462
299 HB1 ALA 36 1HB ALA 36 51.700 2.135 18.443
300 HB2 ALA 36 2HB ALA 36 50.900 2.637 16.954
301 HB3 ALA 36 3HB ALA 36 51.044 0.924 17.343
302 H ALA 37 H ALA 37 48.442 3.509 16.811
303 HA ALA 37 HA ALA 37 48.962 6.018 18.013
304 HB1 ALA 37 1HB ALA 37 48.434 5.729 15.614
305 HB2 ALA 37 2HB ALA 37 47.377 6.912 16.385
306 HB3 ALA 37 3HB ALA 37 46.782 5.287 16.045
307 H TRP 38 H TRP 38 46.214 3.804 18.208
308 HA TRP 38 HA TRP 38 44.350 5.474 19.441
309 HB2 TRP 38 1HB TRP 38 43.932 3.171 18.572
310 HB3 TRP 38 2HB TRP 38 44.752 2.535 19.986
311 HD1 TRP 38 HD1 TRP 38 43.252 1.981 21.952
312 HE1 TRP 38 HE1 TRP 38 40.867 2.622 22.690
313 HE3 TRP 38 HE3 TRP 38 42.100 5.405 18.342
314 HZ2 TRP 38 HZ2 TRP 38 38.747 4.361 21.860
315 HZ3 TRP 38 HZ3 TRP 38 39.899 6.537 18.339
316 HH2 TRP 38 HH2 TRP 38 38.222 6.021 20.089
317 H HIS 39 H HIS 39 47.073 3.708 20.836
318 HA HIS 39 HA HIS 39 46.302 4.048 23.556
319 HB2 HIS 39 1HB HIS 39 47.912 2.344 22.842
320 HB3 HIS 39 2HB HIS 39 49.029 3.597 22.338
321 HD1 HIS 39 HD1 HIS 39 50.375 4.803 24.180
322 HD2 HIS 39 HD2 HIS 39 47.724 1.950 25.666
323 HE1 HIS 39 HE1 HIS 39 50.976 4.469 26.616
324 H GLY 40 H GLY 40 46.636 5.681 24.949
325 HA2 GLY 40 1HA GLY 40 48.524 7.582 25.168
326 HA3 GLY 40 2HA GLY 40 47.517 8.234 23.876
327 H GLN 41 H GLN 41 45.786 9.404 24.434
328 HA GLN 41 HA GLN 41 44.999 9.464 27.268
329 HB2 GLN 41 1HB GLN 41 45.602 11.599 26.116
330 HB3 GLN 41 2HB GLN 41 44.232 11.356 25.032
331 HG2 GLN 41 1HG GLN 41 43.421 12.783 26.757
332 HG3 GLN 41 2HG GLN 41 42.785 11.185 27.139
333 HE21 GLN 41 1HE2 GLN 41 43.094 10.575 29.279
334 HE22 GLN 41 2HE2 GLN 41 44.330 11.155 30.288
335 H LYS 42 H LYS 42 43.188 8.501 27.913
336 HA LYS 42 HA LYS 42 41.060 7.960 25.922
337 HB2 LYS 42 1HB LYS 42 42.538 5.966 26.737
338 HB3 LYS 42 2HB LYS 42 41.595 6.104 28.222
339 HG2 LYS 42 1HG LYS 42 40.252 5.981 25.523
340 HG3 LYS 42 2HG LYS 42 40.701 4.512 26.391
341 HD2 LYS 42 1HD LYS 42 39.460 5.551 28.405
342 HD3 LYS 42 2HD LYS 42 38.752 6.657 27.228
343 HE2 LYS 42 1HE LYS 42 38.673 3.653 26.888
344 HE3 LYS 42 2HE LYS 42 37.398 4.550 27.712
345 HZ1 LYS 42 1HZ LYS 42 37.266 4.097 25.163
346 HZ2 LYS 42 2HZ LYS 42 38.282 5.455 25.066
347 HZ3 LYS 42 3HZ LYS 42 36.754 5.584 25.797
348 HA PRO 43 HA PRO 43 39.235 10.130 29.556
349 HB2 PRO 43 1HB PRO 43 37.789 12.000 28.245
350 HB3 PRO 43 2HB PRO 43 39.527 12.198 28.547
351 HG2 PRO 43 1HG PRO 43 38.121 11.416 26.054
352 HG3 PRO 43 2HG PRO 43 39.565 12.419 26.274
353 HD2 PRO 43 1HD PRO 43 39.599 9.741 25.519
354 HD3 PRO 43 2HD PRO 43 40.973 10.618 26.227
355 H GLY 44 H GLY 44 37.702 8.783 30.351
356 HA2 GLY 44 1HA GLY 44 35.043 8.827 29.277
357 HA3 GLY 44 2HA GLY 44 35.831 7.273 29.017
358 H THR 45 H THR 45 33.727 6.970 30.474
359 HA THR 45 HA THR 45 34.661 6.849 33.284
360 HB THR 45 HB THR 45 31.810 7.279 32.363
361 HG1 THR 45 HG1 THR 45 32.141 9.383 33.090
362 HG21 THR 45 1HG2 THR 45 31.372 7.667 34.729
363 HG22 THR 45 2HG2 THR 45 33.082 7.455 35.109
364 HG23 THR 45 3HG2 THR 45 32.130 6.085 34.533
365 H HIS 46 H HIS 46 34.305 4.959 34.370
366 HA HIS 46 HA HIS 46 32.776 2.833 33.016
367 HB2 HIS 46 1HB HIS 46 35.570 2.561 34.129
368 HB3 HIS 46 2HB HIS 46 34.561 1.217 33.632
369 HD1 HIS 46 HD1 HIS 46 33.855 1.269 30.994
370 HD2 HIS 46 HD2 HIS 46 37.090 3.654 32.100
371 HE1 HIS 46 HE1 HIS 46 35.100 1.820 28.860
Start of MODEL 11
1 H ARG 1 3H ARG 1 30.296 16.919 2.852
2 HA ARG 1 HA ARG 1 31.095 17.970 0.304
3 HB2 ARG 1 1HB ARG 1 31.466 15.262 1.619
4 HB3 ARG 1 2HB ARG 1 32.406 15.908 0.275
5 HG2 ARG 1 1HG ARG 1 32.255 17.193 3.017
6 HG3 ARG 1 2HG ARG 1 33.560 16.129 2.491
7 HD2 ARG 1 1HD ARG 1 33.991 17.690 0.581
8 HD3 ARG 1 2HD ARG 1 32.781 18.781 1.248
9 HE ARG 1 HE ARG 1 35.448 18.276 2.304
10 HH11 ARG 1 1HH1 ARG 1 32.289 19.678 2.919
11 HH12 ARG 1 2HH1 ARG 1 32.880 20.703 4.184
12 HH21 ARG 1 1HH2 ARG 1 36.150 19.618 3.941
13 HH22 ARG 1 2HH2 ARG 1 35.038 20.668 4.755
14 H SER 2 H SER 2 29.410 14.982 1.310
15 HA SER 2 HA SER 2 28.668 14.150 -1.257
16 HB2 SER 2 1HB SER 2 27.112 12.662 -0.153
17 HB3 SER 2 2HB SER 2 28.592 12.748 0.795
18 HG SER 2 HG SER 2 27.562 13.860 2.315
19 H LEU 3 H LEU 3 27.193 16.550 0.831
20 HA LEU 3 HA LEU 3 24.606 16.605 -0.244
21 HB2 LEU 3 1HB LEU 3 26.347 18.631 1.123
22 HB3 LEU 3 2HB LEU 3 24.825 19.147 0.415
23 HG LEU 3 HG LEU 3 24.632 18.582 2.826
24 HD11 LEU 3 1HD1 LEU 3 22.550 17.560 2.625
25 HD12 LEU 3 2HD1 LEU 3 23.084 16.499 1.322
26 HD13 LEU 3 3HD1 LEU 3 22.799 18.209 1.004
27 HD21 LEU 3 1HD2 LEU 3 25.062 15.700 2.017
28 HD22 LEU 3 2HD2 LEU 3 24.894 16.357 3.645
29 HD23 LEU 3 3HD2 LEU 3 26.346 16.695 2.702
30 H LEU 4 H LEU 4 27.610 18.038 -1.416
31 HA LEU 4 HA LEU 4 26.532 19.847 -3.276
32 HB2 LEU 4 1HB LEU 4 29.120 18.286 -3.466
33 HB3 LEU 4 2HB LEU 4 28.724 19.750 -4.366
34 HG LEU 4 HG LEU 4 28.849 19.571 -1.340
35 HD11 LEU 4 1HD1 LEU 4 30.781 20.957 -3.213
36 HD12 LEU 4 2HD1 LEU 4 31.054 19.328 -2.597
37 HD13 LEU 4 3HD1 LEU 4 30.964 20.688 -1.479
38 HD21 LEU 4 1HD2 LEU 4 28.899 22.121 -1.650
39 HD22 LEU 4 2HD2 LEU 4 27.353 21.328 -1.956
40 HD23 LEU 4 3HD2 LEU 4 28.375 21.822 -3.307
41 H GLU 5 H GLU 5 27.177 16.381 -3.520
42 HA GLU 5 HA GLU 5 26.881 16.118 -6.310
43 HB2 GLU 5 1HB GLU 5 26.282 14.144 -4.095
44 HB3 GLU 5 2HB GLU 5 26.375 13.735 -5.810
45 HG2 GLU 5 1HG GLU 5 28.704 14.608 -5.861
46 HG3 GLU 5 2HG GLU 5 28.606 14.916 -4.132
47 H GLY 6 H GLY 6 24.496 16.098 -3.689
48 HA2 GLY 6 1HA GLY 6 22.223 16.484 -3.747
49 HA3 GLY 6 2HA GLY 6 22.406 16.957 -5.434
50 H GLU 7 H GLU 7 23.282 13.836 -4.007
51 HA GLU 7 HA GLU 7 21.374 12.542 -5.861
52 HB2 GLU 7 1HB GLU 7 23.888 11.458 -4.568
53 HB3 GLU 7 2HB GLU 7 22.828 10.557 -5.653
54 HG2 GLU 7 1HG GLU 7 24.278 13.121 -6.364
55 HG3 GLU 7 2HG GLU 7 24.781 11.507 -6.850
56 H ILE 8 H ILE 8 20.142 10.772 -5.143
57 HA ILE 8 HA ILE 8 19.734 10.659 -2.212
58 HB ILE 8 HB ILE 8 17.777 10.021 -4.432
59 HG12 ILE 8 1HG1 ILE 8 17.829 12.364 -2.505
60 HG13 ILE 8 2HG1 ILE 8 18.364 12.456 -4.183
61 HG21 ILE 8 1HG2 ILE 8 17.414 8.727 -2.353
62 HG22 ILE 8 2HG2 ILE 8 16.137 9.920 -2.595
63 HG23 ILE 8 3HG2 ILE 8 17.420 10.227 -1.425
64 HD11 ILE 8 1HD1 ILE 8 16.041 11.517 -4.789
65 HD12 ILE 8 2HD1 ILE 8 16.112 13.193 -4.243
66 HD13 ILE 8 3HD1 ILE 8 15.582 11.927 -3.136
67 HA PRO 9 HA PRO 9 21.569 6.586 -3.398
68 HB2 PRO 9 1HB PRO 9 21.971 5.719 -0.784
69 HB3 PRO 9 2HB PRO 9 23.143 6.632 -1.750
70 HG2 PRO 9 1HG PRO 9 21.269 7.588 0.342
71 HG3 PRO 9 2HG PRO 9 22.930 8.099 -0.014
72 HD2 PRO 9 1HD PRO 9 20.802 9.590 -0.758
73 HD3 PRO 9 2HD PRO 9 22.280 9.508 -1.744
74 H PHE 10 H PHE 10 19.535 5.878 -4.199
75 HA PHE 10 HA PHE 10 17.331 5.086 -2.727
76 HB2 PHE 10 1HB PHE 10 17.951 5.077 -5.352
77 HB3 PHE 10 2HB PHE 10 18.025 3.358 -5.026
78 HD1 PHE 10 HD1 PHE 10 16.007 2.145 -4.235
79 HD2 PHE 10 HD2 PHE 10 15.877 6.291 -5.350
80 HE1 PHE 10 HE1 PHE 10 13.534 2.027 -4.386
81 HE2 PHE 10 HE2 PHE 10 13.405 6.173 -5.503
82 HZ PHE 10 HZ PHE 10 12.234 4.041 -5.021
83 HA PRO 11 HA PRO 11 19.028 0.815 -1.896
84 HB2 PRO 11 1HB PRO 11 21.415 -0.013 -2.989
85 HB3 PRO 11 2HB PRO 11 19.849 -0.121 -3.807
86 HG2 PRO 11 1HG PRO 11 22.095 1.537 -4.455
87 HG3 PRO 11 2HG PRO 11 20.574 1.331 -5.334
88 HD2 PRO 11 1HD PRO 11 21.375 3.489 -3.488
89 HD3 PRO 11 2HD PRO 11 20.093 3.478 -4.718
90 HA PRO 12 HA PRO 12 21.842 2.759 1.248
91 HB2 PRO 12 1HB PRO 12 20.809 1.338 3.396
92 HB3 PRO 12 2HB PRO 12 20.204 2.909 2.837
93 HG2 PRO 12 1HG PRO 12 19.149 0.183 2.303
94 HG3 PRO 12 2HG PRO 12 18.276 1.694 2.623
95 HD2 PRO 12 1HD PRO 12 18.497 0.712 0.124
96 HD3 PRO 12 2HD PRO 12 18.509 2.462 0.443
97 H THR 13 H THR 13 20.921 -0.693 1.183
98 HA THR 13 HA THR 13 23.203 -1.659 2.525
99 HB THR 13 HB THR 13 22.577 -3.848 1.614
100 HG1 THR 13 HG1 THR 13 21.985 -3.396 -0.439
101 HG21 THR 13 1HG2 THR 13 20.211 -2.130 2.414
102 HG22 THR 13 2HG2 THR 13 21.315 -2.951 3.519
103 HG23 THR 13 3HG2 THR 13 20.257 -3.893 2.469
104 H SER 14 H SER 14 22.879 -0.525 -0.734
105 HA SER 14 HA SER 14 24.931 -2.276 -1.833
106 HB2 SER 14 1HB SER 14 24.515 -1.167 -3.922
107 HB3 SER 14 2HB SER 14 22.948 -1.438 -3.167
108 HG SER 14 HG SER 14 24.068 0.859 -3.907
109 H ILE 15 H ILE 15 24.488 1.171 -1.149
110 HA ILE 15 HA ILE 15 27.213 1.891 -1.560
111 HB ILE 15 HB ILE 15 26.675 3.955 -0.379
112 HG12 ILE 15 1HG1 ILE 15 23.997 2.667 0.246
113 HG13 ILE 15 2HG1 ILE 15 25.286 2.907 1.424
114 HG21 ILE 15 1HG2 ILE 15 24.351 3.074 -2.113
115 HG22 ILE 15 2HG2 ILE 15 25.917 3.593 -2.735
116 HG23 ILE 15 3HG2 ILE 15 24.901 4.728 -1.847
117 HD11 ILE 15 1HD1 ILE 15 23.904 5.102 -0.139
118 HD12 ILE 15 2HD1 ILE 15 25.206 5.339 1.025
119 HD13 ILE 15 3HD1 ILE 15 23.642 4.728 1.564
120 H LEU 16 H LEU 16 25.407 0.609 1.188
121 HA LEU 16 HA LEU 16 27.361 0.965 3.192
122 HB2 LEU 16 1HB LEU 16 25.020 0.203 3.590
123 HB3 LEU 16 2HB LEU 16 25.439 -1.354 2.875
124 HG LEU 16 HG LEU 16 27.307 -1.502 4.606
125 HD11 LEU 16 1HD1 LEU 16 27.496 0.774 5.316
126 HD12 LEU 16 2HD1 LEU 16 26.795 -0.098 6.680
127 HD13 LEU 16 3HD1 LEU 16 25.766 0.888 5.641
128 HD21 LEU 16 1HD2 LEU 16 25.635 -2.045 6.471
129 HD22 LEU 16 2HD2 LEU 16 25.366 -2.860 4.930
130 HD23 LEU 16 3HD2 LEU 16 24.380 -1.468 5.376
131 H LEU 17 H LEU 17 26.983 -1.477 0.668
132 HA LEU 17 HA LEU 17 28.887 -3.317 1.743
133 HB2 LEU 17 1HB LEU 17 27.105 -3.940 0.118
134 HB3 LEU 17 2HB LEU 17 27.966 -3.033 -1.126
135 HG LEU 17 HG LEU 17 29.994 -4.478 -0.622
136 HD11 LEU 17 1HD1 LEU 17 27.892 -5.865 1.047
137 HD12 LEU 17 2HD1 LEU 17 29.515 -5.367 1.524
138 HD13 LEU 17 3HD1 LEU 17 29.299 -6.730 0.427
139 HD21 LEU 17 1HD2 LEU 17 27.492 -5.914 -1.568
140 HD22 LEU 17 2HD2 LEU 17 29.154 -6.366 -1.945
141 HD23 LEU 17 3HD2 LEU 17 28.489 -4.856 -2.568
142 H LEU 18 H LEU 18 29.059 -0.902 -0.863
143 HA LEU 18 HA LEU 18 31.734 -1.381 -1.601
144 HB2 LEU 18 1HB LEU 18 30.112 -0.038 -2.933
145 HB3 LEU 18 2HB LEU 18 30.224 1.242 -1.726
146 HG LEU 18 HG LEU 18 32.734 1.253 -2.134
147 HD11 LEU 18 1HD1 LEU 18 31.811 -0.644 -4.286
148 HD12 LEU 18 2HD1 LEU 18 33.177 -0.808 -3.183
149 HD13 LEU 18 3HD1 LEU 18 33.254 0.344 -4.516
150 HD21 LEU 18 1HD2 LEU 18 30.932 2.800 -3.190
151 HD22 LEU 18 2HD2 LEU 18 31.197 1.859 -4.658
152 HD23 LEU 18 3HD2 LEU 18 32.529 2.763 -3.937
153 H LEU 19 H LEU 19 30.302 0.857 0.754
154 HA LEU 19 HA LEU 19 32.752 2.114 1.455
155 HB2 LEU 19 1HB LEU 19 29.994 2.015 2.564
156 HB3 LEU 19 2HB LEU 19 31.268 2.502 3.673
157 HG LEU 19 HG LEU 19 30.189 4.424 2.520
158 HD11 LEU 19 1HD1 LEU 19 32.648 4.330 3.275
159 HD12 LEU 19 2HD1 LEU 19 32.183 5.619 2.165
160 HD13 LEU 19 3HD1 LEU 19 33.033 4.197 1.559
161 HD21 LEU 19 1HD2 LEU 19 31.455 3.264 0.017
162 HD22 LEU 19 2HD2 LEU 19 30.664 4.834 0.140
163 HD23 LEU 19 3HD2 LEU 19 29.725 3.359 0.343
164 H ALA 20 H ALA 20 31.084 -0.753 2.666
165 HA ALA 20 HA ALA 20 32.548 -1.034 5.065
166 HB1 ALA 20 1HB ALA 20 31.816 -3.480 4.834
167 HB2 ALA 20 2HB ALA 20 30.999 -2.973 3.357
168 HB3 ALA 20 3HB ALA 20 30.540 -2.266 4.906
169 H CYS 21 H CYS 21 33.046 -2.441 1.824
170 HA CYS 21 HA CYS 21 35.192 -4.105 2.617
171 HB2 CYS 21 1HB CYS 21 35.617 -4.463 0.274
172 HB3 CYS 21 2HB CYS 21 33.877 -4.439 0.536
173 HG CYS 21 HG CYS 21 33.695 -2.445 -0.924
174 H ILE 22 H ILE 22 35.139 -0.797 1.302
175 HA ILE 22 HA ILE 22 37.917 -0.546 0.900
176 HB ILE 22 HB ILE 22 35.914 1.603 1.652
177 HG12 ILE 22 1HG1 ILE 22 36.932 0.771 -1.077
178 HG13 ILE 22 2HG1 ILE 22 35.403 0.211 -0.401
179 HG21 ILE 22 1HG2 ILE 22 38.624 1.786 0.292
180 HG22 ILE 22 2HG2 ILE 22 38.269 2.318 1.936
181 HG23 ILE 22 3HG2 ILE 22 37.516 3.132 0.565
182 HD11 ILE 22 1HD1 ILE 22 34.965 2.142 -1.812
183 HD12 ILE 22 2HD1 ILE 22 36.186 3.085 -0.959
184 HD13 ILE 22 3HD1 ILE 22 34.707 2.603 -0.128
185 H PHE 23 H PHE 23 35.896 0.194 3.736
186 HA PHE 23 HA PHE 23 37.969 1.266 5.325
187 HB2 PHE 23 1HB PHE 23 35.340 -0.020 6.007
188 HB3 PHE 23 2HB PHE 23 36.443 0.530 7.253
189 HD1 PHE 23 HD1 PHE 23 37.362 3.044 6.784
190 HD2 PHE 23 HD2 PHE 23 33.641 1.414 5.388
191 HE1 PHE 23 HE1 PHE 23 36.434 5.335 6.583
192 HE2 PHE 23 HE2 PHE 23 32.715 3.705 5.184
193 HZ PHE 23 HZ PHE 23 34.112 5.665 5.782
194 H LEU 24 H LEU 24 36.718 -2.047 5.040
195 HA LEU 24 HA LEU 24 38.095 -3.120 7.243
196 HB2 LEU 24 1HB LEU 24 36.209 -4.233 6.054
197 HB3 LEU 24 2HB LEU 24 37.295 -4.559 4.704
198 HG LEU 24 HG LEU 24 38.821 -5.740 6.355
199 HD11 LEU 24 1HD1 LEU 24 38.182 -4.993 8.477
200 HD12 LEU 24 2HD1 LEU 24 37.392 -6.568 8.398
201 HD13 LEU 24 3HD1 LEU 24 36.462 -5.098 8.104
202 HD21 LEU 24 1HD2 LEU 24 36.006 -6.831 6.029
203 HD22 LEU 24 2HD2 LEU 24 37.445 -7.787 6.383
204 HD23 LEU 24 3HD2 LEU 24 37.295 -6.958 4.832
205 H ILE 25 H ILE 25 38.979 -2.960 3.801
206 HA ILE 25 HA ILE 25 41.375 -4.453 4.141
207 HB ILE 25 HB ILE 25 41.940 -3.751 1.866
208 HG12 ILE 25 1HG1 ILE 25 39.446 -2.029 2.021
209 HG13 ILE 25 2HG1 ILE 25 41.089 -1.394 2.064
210 HG21 ILE 25 1HG2 ILE 25 38.992 -4.390 2.175
211 HG22 ILE 25 2HG2 ILE 25 40.292 -5.574 2.317
212 HG23 ILE 25 3HG2 ILE 25 40.008 -4.757 0.780
213 HD11 ILE 25 1HD1 ILE 25 39.732 -2.856 -0.204
214 HD12 ILE 25 2HD1 ILE 25 41.478 -2.615 -0.142
215 HD13 ILE 25 3HD1 ILE 25 40.397 -1.223 -0.210
216 H LYS 26 H LYS 26 40.706 -0.972 4.220
217 HA LYS 26 HA LYS 26 43.364 -0.071 4.154
218 HB2 LYS 26 1HB LYS 26 41.352 1.384 3.945
219 HB3 LYS 26 2HB LYS 26 41.054 1.165 5.669
220 HG2 LYS 26 1HG LYS 26 43.214 2.165 6.211
221 HG3 LYS 26 2HG LYS 26 43.605 2.308 4.497
222 HD2 LYS 26 1HD LYS 26 42.812 4.464 5.246
223 HD3 LYS 26 2HD LYS 26 41.558 3.754 4.230
224 HE2 LYS 26 1HE LYS 26 40.209 3.184 6.087
225 HE3 LYS 26 2HE LYS 26 41.545 3.379 7.224
226 HZ1 LYS 26 1HZ LYS 26 39.753 5.351 6.145
227 HZ2 LYS 26 2HZ LYS 26 41.386 5.804 6.039
228 HZ3 LYS 26 3HZ LYS 26 40.709 5.406 7.545
229 H ILE 27 H ILE 27 41.330 -1.103 6.861
230 HA ILE 27 HA ILE 27 43.143 -0.398 8.921
231 HB ILE 27 HB ILE 27 40.976 -2.517 8.910
232 HG12 ILE 27 1HG1 ILE 27 40.874 0.345 9.895
233 HG13 ILE 27 2HG1 ILE 27 40.278 -0.159 8.315
234 HG21 ILE 27 1HG2 ILE 27 42.694 -2.606 10.807
235 HG22 ILE 27 2HG2 ILE 27 41.017 -2.389 11.299
236 HG23 ILE 27 3HG2 ILE 27 42.111 -1.008 11.274
237 HD11 ILE 27 1HD1 ILE 27 39.250 -0.944 11.041
238 HD12 ILE 27 2HD1 ILE 27 38.883 -1.906 9.608
239 HD13 ILE 27 3HD1 ILE 27 38.360 -0.224 9.699
240 H LEU 28 H LEU 28 42.509 -3.510 7.305
241 HA LEU 28 HA LEU 28 44.303 -5.018 8.876
242 HB2 LEU 28 1HB LEU 28 43.341 -5.546 6.056
243 HB3 LEU 28 2HB LEU 28 44.084 -6.731 7.129
244 HG LEU 28 HG LEU 28 41.534 -5.220 7.763
245 HD11 LEU 28 1HD1 LEU 28 40.487 -7.498 7.394
246 HD12 LEU 28 2HD1 LEU 28 42.015 -8.006 6.675
247 HD13 LEU 28 3HD1 LEU 28 41.076 -6.714 5.928
248 HD21 LEU 28 1HD2 LEU 28 43.104 -7.414 9.123
249 HD22 LEU 28 2HD2 LEU 28 41.391 -7.165 9.454
250 HD23 LEU 28 3HD2 LEU 28 42.552 -5.884 9.803
251 H ALA 29 H ALA 29 44.787 -3.225 5.866
252 HA ALA 29 HA ALA 29 47.159 -4.418 5.028
253 HB1 ALA 29 1HB ALA 29 46.017 -2.955 3.535
254 HB2 ALA 29 2HB ALA 29 47.575 -2.201 3.873
255 HB3 ALA 29 3HB ALA 29 46.116 -1.609 4.669
256 H ALA 30 H ALA 30 46.829 -1.406 6.948
257 HA ALA 30 HA ALA 30 48.893 -1.890 8.744
258 HB1 ALA 30 1HB ALA 30 50.564 -1.945 7.096
259 HB2 ALA 30 2HB ALA 30 50.646 -0.299 7.720
260 HB3 ALA 30 3HB ALA 30 49.840 -0.620 6.185
261 H SER 31 H SER 31 46.948 0.397 6.975
262 HA SER 31 HA SER 31 47.736 2.824 8.057
263 HB2 SER 31 1HB SER 31 46.033 2.517 6.257
264 HB3 SER 31 2HB SER 31 44.887 1.989 7.484
265 HG SER 31 HG SER 31 44.758 3.991 8.230
266 H ALA 32 H ALA 32 45.683 0.330 9.494
267 HA ALA 32 HA ALA 32 44.657 1.850 11.633
268 HB1 ALA 32 1HB ALA 32 44.112 -0.589 10.776
269 HB2 ALA 32 2HB ALA 32 43.848 -0.147 12.463
270 HB3 ALA 32 3HB ALA 32 45.292 -1.047 12.003
271 H LEU 33 H LEU 33 47.513 -0.297 11.506
272 HA LEU 33 HA LEU 33 48.231 0.020 14.207
273 HB2 LEU 33 1HB LEU 33 49.691 -0.850 11.734
274 HB3 LEU 33 2HB LEU 33 50.597 -0.579 13.214
275 HG LEU 33 HG LEU 33 49.915 -2.950 12.912
276 HD11 LEU 33 1HD1 LEU 33 50.090 -1.648 15.188
277 HD12 LEU 33 2HD1 LEU 33 49.464 -3.297 15.157
278 HD13 LEU 33 3HD1 LEU 33 48.351 -1.933 15.254
279 HD21 LEU 33 1HD2 LEU 33 47.733 -2.466 11.778
280 HD22 LEU 33 2HD2 LEU 33 47.088 -1.943 13.334
281 HD23 LEU 33 3HD2 LEU 33 47.593 -3.617 13.106
282 H TRP 34 H TRP 34 49.115 1.873 11.328
283 HA TRP 34 HA TRP 34 51.162 3.411 12.534
284 HB2 TRP 34 1HB TRP 34 50.759 3.160 10.078
285 HB3 TRP 34 2HB TRP 34 49.368 4.214 10.246
286 HD1 TRP 34 HD1 TRP 34 53.176 4.210 10.311
287 HE1 TRP 34 HE1 TRP 34 54.015 6.635 10.082
288 HE3 TRP 34 HE3 TRP 34 48.742 6.714 10.677
289 HZ2 TRP 34 HZ2 TRP 34 52.946 9.293 10.058
290 HZ3 TRP 34 HZ3 TRP 34 48.680 9.185 10.547
291 HH2 TRP 34 HH2 TRP 34 50.772 10.478 10.240
292 H ALA 35 H ALA 35 47.705 4.084 12.027
293 HA ALA 35 HA ALA 35 47.752 6.710 13.060
294 HB1 ALA 35 1HB ALA 35 45.302 5.018 13.305
295 HB2 ALA 35 2HB ALA 35 45.924 5.385 11.696
296 HB3 ALA 35 3HB ALA 35 45.461 6.695 12.784
297 H ALA 36 H ALA 36 47.138 3.585 14.618
298 HA ALA 36 HA ALA 36 46.242 4.594 17.089
299 HB1 ALA 36 1HB ALA 36 46.694 2.367 17.960
300 HB2 ALA 36 2HB ALA 36 47.704 1.999 16.562
301 HB3 ALA 36 3HB ALA 36 45.968 2.244 16.357
302 H ALA 37 H ALA 37 49.498 4.045 15.846
303 HA ALA 37 HA ALA 37 50.794 4.108 18.387
304 HB1 ALA 37 1HB ALA 37 52.859 4.276 17.107
305 HB2 ALA 37 2HB ALA 37 51.950 4.681 15.650
306 HB3 ALA 37 3HB ALA 37 51.794 3.079 16.370
307 H TRP 38 H TRP 38 50.737 6.536 15.754
308 HA TRP 38 HA TRP 38 52.019 8.543 17.292
309 HB2 TRP 38 1HB TRP 38 51.868 8.438 14.783
310 HB3 TRP 38 2HB TRP 38 50.196 8.948 14.924
311 HD1 TRP 38 HD1 TRP 38 53.755 10.188 15.702
312 HE1 TRP 38 HE1 TRP 38 53.747 12.764 15.635
313 HE3 TRP 38 HE3 TRP 38 48.768 11.034 15.012
314 HZ2 TRP 38 HZ2 TRP 38 51.869 14.905 15.327
315 HZ3 TRP 38 HZ3 TRP 38 47.897 13.345 14.835
316 HH2 TRP 38 HH2 TRP 38 49.438 15.280 14.992
317 H HIS 39 H HIS 39 48.613 7.977 16.487
318 HA HIS 39 HA HIS 39 47.839 9.770 18.711
319 HB2 HIS 39 1HB HIS 39 47.459 10.755 16.433
320 HB3 HIS 39 2HB HIS 39 46.361 9.430 16.102
321 HD1 HIS 39 HD1 HIS 39 44.023 9.534 17.159
322 HD2 HIS 39 HD2 HIS 39 46.490 12.686 18.320
323 HE1 HIS 39 HE1 HIS 39 42.535 11.209 18.336
324 H GLY 40 H GLY 40 45.558 9.318 19.459
325 HA2 GLY 40 1HA GLY 40 43.727 7.830 19.742
326 HA3 GLY 40 2HA GLY 40 44.680 6.554 18.991
327 H GLN 41 H GLN 41 44.405 5.061 20.624
328 HA GLN 41 HA GLN 41 44.844 3.968 22.590
329 HB2 GLN 41 1HB GLN 41 47.189 4.679 22.042
330 HB3 GLN 41 2HB GLN 41 46.936 6.105 23.047
331 HG2 GLN 41 1HG GLN 41 46.451 4.684 24.985
332 HG3 GLN 41 2HG GLN 41 46.643 3.243 23.993
333 HE21 GLN 41 1HE2 GLN 41 48.284 3.369 26.183
334 HE22 GLN 41 2HE2 GLN 41 49.875 3.748 25.733
335 H LYS 42 H LYS 42 43.095 4.186 23.856
336 HA LYS 42 HA LYS 42 41.708 4.964 25.503
337 HB2 LYS 42 1HB LYS 42 44.069 5.128 26.617
338 HB3 LYS 42 2HB LYS 42 43.847 6.866 26.414
339 HG2 LYS 42 1HG LYS 42 41.492 6.414 27.480
340 HG3 LYS 42 2HG LYS 42 42.253 4.941 28.082
341 HD2 LYS 42 1HD LYS 42 44.054 6.291 29.103
342 HD3 LYS 42 2HD LYS 42 43.273 7.763 28.522
343 HE2 LYS 42 1HE LYS 42 41.312 7.334 29.878
344 HE3 LYS 42 2HE LYS 42 41.933 5.752 30.349
345 HZ1 LYS 42 1HZ LYS 42 43.959 7.301 31.077
346 HZ2 LYS 42 2HZ LYS 42 42.670 6.909 32.115
347 HZ3 LYS 42 3HZ LYS 42 42.681 8.396 31.293
348 HA PRO 43 HA PRO 43 40.961 8.773 22.896
349 HB2 PRO 43 1HB PRO 43 38.364 8.170 22.228
350 HB3 PRO 43 2HB PRO 43 39.770 7.670 21.269
351 HG2 PRO 43 1HG PRO 43 38.164 6.106 23.221
352 HG3 PRO 43 2HG PRO 43 38.867 5.604 21.671
353 HD2 PRO 43 1HD PRO 43 40.009 4.965 24.054
354 HD3 PRO 43 2HD PRO 43 40.962 5.227 22.577
355 H GLY 44 H GLY 44 40.366 10.576 23.940
356 HA2 GLY 44 1HA GLY 44 39.311 10.633 26.519
357 HA3 GLY 44 2HA GLY 44 39.344 12.008 25.421
358 H THR 45 H THR 45 37.661 10.815 23.398
359 HA THR 45 HA THR 45 35.060 10.790 24.825
360 HB THR 45 HB THR 45 35.625 11.928 22.079
361 HG1 THR 45 HG1 THR 45 34.947 13.410 24.365
362 HG21 THR 45 1HG2 THR 45 33.199 11.729 23.856
363 HG22 THR 45 2HG2 THR 45 33.354 11.304 22.151
364 HG23 THR 45 3HG2 THR 45 33.328 12.998 22.638
365 H HIS 46 H HIS 46 33.590 9.273 24.244
366 HA HIS 46 HA HIS 46 34.455 7.267 22.249
367 HB2 HIS 46 1HB HIS 46 34.185 6.430 24.541
368 HB3 HIS 46 2HB HIS 46 32.534 7.017 24.567
369 HD1 HIS 46 HD1 HIS 46 30.751 5.581 23.431
370 HD2 HIS 46 HD2 HIS 46 34.614 4.115 22.875
371 HE1 HIS 46 HE1 HIS 46 30.502 3.273 22.421
Start of MODEL 12
1 H ARG 1 3H ARG 1 18.258 11.123 -16.933
2 HA ARG 1 HA ARG 1 20.250 12.411 -17.684
3 HB2 ARG 1 1HB ARG 1 20.300 13.055 -14.719
4 HB3 ARG 1 2HB ARG 1 21.617 13.378 -15.848
5 HG2 ARG 1 1HG ARG 1 20.072 14.796 -17.194
6 HG3 ARG 1 2HG ARG 1 18.819 14.540 -15.978
7 HD2 ARG 1 1HD ARG 1 20.408 15.479 -14.262
8 HD3 ARG 1 2HD ARG 1 21.494 15.902 -15.582
9 HE ARG 1 HE ARG 1 18.953 17.176 -14.930
10 HH11 ARG 1 1HH1 ARG 1 21.527 16.840 -17.292
11 HH12 ARG 1 2HH1 ARG 1 21.126 18.323 -18.090
12 HH21 ARG 1 1HH2 ARG 1 18.483 19.077 -15.997
13 HH22 ARG 1 2HH2 ARG 1 19.423 19.574 -17.364
14 H SER 2 H SER 2 19.913 10.865 -14.478
15 HA SER 2 HA SER 2 22.203 9.273 -14.602
16 HB2 SER 2 1HB SER 2 19.595 8.621 -13.215
17 HB3 SER 2 2HB SER 2 21.173 7.930 -12.851
18 HG SER 2 HG SER 2 21.007 9.591 -11.460
19 H LEU 3 H LEU 3 19.020 8.744 -16.017
20 HA LEU 3 HA LEU 3 19.154 5.993 -16.499
21 HB2 LEU 3 1HB LEU 3 17.147 7.423 -16.867
22 HB3 LEU 3 2HB LEU 3 17.924 8.088 -18.304
23 HG LEU 3 HG LEU 3 18.142 5.706 -19.157
24 HD11 LEU 3 1HD1 LEU 3 16.392 5.255 -16.730
25 HD12 LEU 3 2HD1 LEU 3 17.895 4.433 -17.149
26 HD13 LEU 3 3HD1 LEU 3 16.433 4.132 -18.089
27 HD21 LEU 3 1HD2 LEU 3 15.578 5.553 -19.584
28 HD22 LEU 3 2HD2 LEU 3 16.436 6.976 -20.174
29 HD23 LEU 3 3HD2 LEU 3 15.493 7.068 -18.686
30 H LEU 4 H LEU 4 20.470 8.710 -18.358
31 HA LEU 4 HA LEU 4 21.322 7.272 -20.619
32 HB2 LEU 4 1HB LEU 4 21.250 9.758 -20.443
33 HB3 LEU 4 2HB LEU 4 22.656 9.690 -19.381
34 HG LEU 4 HG LEU 4 23.859 8.433 -21.228
35 HD11 LEU 4 1HD1 LEU 4 21.282 9.145 -22.610
36 HD12 LEU 4 2HD1 LEU 4 22.163 7.617 -22.631
37 HD13 LEU 4 3HD1 LEU 4 22.776 9.002 -23.536
38 HD21 LEU 4 1HD2 LEU 4 22.857 11.235 -21.824
39 HD22 LEU 4 2HD2 LEU 4 24.280 10.490 -22.552
40 HD23 LEU 4 3HD2 LEU 4 24.250 10.828 -20.821
41 H GLU 5 H GLU 5 22.884 7.851 -17.496
42 HA GLU 5 HA GLU 5 25.421 6.801 -18.123
43 HB2 GLU 5 1HB GLU 5 23.941 6.873 -15.485
44 HB3 GLU 5 2HB GLU 5 25.655 6.498 -15.668
45 HG2 GLU 5 1HG GLU 5 25.991 8.706 -16.764
46 HG3 GLU 5 2HG GLU 5 24.297 9.081 -16.482
47 H GLY 6 H GLY 6 22.424 5.224 -17.115
48 HA2 GLY 6 1HA GLY 6 21.902 2.978 -17.685
49 HA3 GLY 6 2HA GLY 6 23.618 2.635 -17.810
50 H GLU 7 H GLU 7 23.232 4.351 -14.970
51 HA GLU 7 HA GLU 7 23.017 1.852 -13.396
52 HB2 GLU 7 1HB GLU 7 24.357 4.482 -12.714
53 HB3 GLU 7 2HB GLU 7 24.269 3.077 -11.650
54 HG2 GLU 7 1HG GLU 7 25.444 1.729 -13.380
55 HG3 GLU 7 2HG GLU 7 25.597 3.174 -14.372
56 H ILE 8 H ILE 8 21.701 1.799 -11.579
57 HA ILE 8 HA ILE 8 19.713 3.989 -11.389
58 HB ILE 8 HB ILE 8 18.102 2.327 -10.631
59 HG12 ILE 8 1HG1 ILE 8 18.976 -0.167 -11.114
60 HG13 ILE 8 2HG1 ILE 8 20.522 0.556 -10.679
61 HG21 ILE 8 1HG2 ILE 8 18.208 2.745 -13.010
62 HG22 ILE 8 2HG2 ILE 8 17.955 1.016 -12.767
63 HG23 ILE 8 3HG2 ILE 8 19.556 1.622 -13.193
64 HD11 ILE 8 1HD1 ILE 8 18.146 1.068 -8.926
65 HD12 ILE 8 2HD1 ILE 8 19.856 1.001 -8.500
66 HD13 ILE 8 3HD1 ILE 8 18.969 -0.488 -8.818
67 HA PRO 9 HA PRO 9 20.757 4.761 -7.167
68 HB2 PRO 9 1HB PRO 9 17.947 4.187 -6.356
69 HB3 PRO 9 2HB PRO 9 18.935 5.630 -6.061
70 HG2 PRO 9 1HG PRO 9 16.978 5.631 -7.861
71 HG3 PRO 9 2HG PRO 9 18.483 6.530 -8.119
72 HD2 PRO 9 1HD PRO 9 17.589 3.971 -9.371
73 HD3 PRO 9 2HD PRO 9 18.587 5.274 -10.052
74 H PHE 10 H PHE 10 22.050 2.963 -6.717
75 HA PHE 10 HA PHE 10 21.197 0.335 -6.366
76 HB2 PHE 10 1HB PHE 10 23.541 1.865 -5.277
77 HB3 PHE 10 2HB PHE 10 23.293 0.175 -4.881
78 HD1 PHE 10 HD1 PHE 10 22.956 -1.443 -6.927
79 HD2 PHE 10 HD2 PHE 10 24.745 2.455 -7.178
80 HE1 PHE 10 HE1 PHE 10 24.060 -2.086 -9.052
81 HE2 PHE 10 HE2 PHE 10 25.848 1.811 -9.303
82 HZ PHE 10 HZ PHE 10 25.507 -0.459 -10.240
83 HA PRO 11 HA PRO 11 18.985 0.279 -2.545
84 HB2 PRO 11 1HB PRO 11 20.528 -2.096 -1.655
85 HB3 PRO 11 2HB PRO 11 18.781 -1.900 -1.879
86 HG2 PRO 11 1HG PRO 11 20.270 -3.324 -3.571
87 HG3 PRO 11 2HG PRO 11 18.869 -2.379 -4.109
88 HD2 PRO 11 1HD PRO 11 21.780 -1.767 -4.419
89 HD3 PRO 11 2HD PRO 11 20.421 -1.407 -5.509
90 HA PRO 12 HA PRO 12 21.376 2.316 0.564
91 HB2 PRO 12 1HB PRO 12 20.422 1.142 2.923
92 HB3 PRO 12 2HB PRO 12 19.696 2.525 2.087
93 HG2 PRO 12 1HG PRO 12 18.930 -0.338 2.015
94 HG3 PRO 12 2HG PRO 12 17.911 1.114 1.970
95 HD2 PRO 12 1HD PRO 12 18.398 -0.320 -0.261
96 HD3 PRO 12 2HD PRO 12 18.244 1.452 -0.311
97 H THR 13 H THR 13 20.944 -1.096 1.575
98 HA THR 13 HA THR 13 23.390 -1.330 2.924
99 HB THR 13 HB THR 13 23.054 -3.751 2.753
100 HG1 THR 13 HG1 THR 13 22.230 -4.332 0.917
101 HG21 THR 13 1HG2 THR 13 21.634 -2.203 4.251
102 HG22 THR 13 2HG2 THR 13 21.024 -3.833 3.965
103 HG23 THR 13 3HG2 THR 13 20.343 -2.469 3.080
104 H SER 14 H SER 14 22.937 -1.035 -0.448
105 HA SER 14 HA SER 14 25.099 -2.843 -1.212
106 HB2 SER 14 1HB SER 14 23.369 -0.955 -2.833
107 HB3 SER 14 2HB SER 14 24.626 -1.982 -3.514
108 HG SER 14 HG SER 14 22.102 -2.596 -2.686
109 H ILE 15 H ILE 15 24.346 0.615 -1.370
110 HA ILE 15 HA ILE 15 26.921 1.566 -1.997
111 HB ILE 15 HB ILE 15 24.818 2.882 -0.251
112 HG12 ILE 15 1HG1 ILE 15 25.309 3.163 -3.232
113 HG13 ILE 15 2HG1 ILE 15 24.033 2.164 -2.534
114 HG21 ILE 15 1HG2 ILE 15 25.913 4.972 -0.923
115 HG22 ILE 15 2HG2 ILE 15 27.082 4.071 -1.887
116 HG23 ILE 15 3HG2 ILE 15 27.080 3.914 -0.130
117 HD11 ILE 15 1HD1 ILE 15 23.183 4.214 -1.342
118 HD12 ILE 15 2HD1 ILE 15 23.065 4.307 -3.098
119 HD13 ILE 15 3HD1 ILE 15 24.355 5.164 -2.255
120 H LEU 16 H LEU 16 25.398 0.699 1.085
121 HA LEU 16 HA LEU 16 27.527 1.526 2.773
122 HB2 LEU 16 1HB LEU 16 25.446 -0.639 3.148
123 HB3 LEU 16 2HB LEU 16 26.532 -0.068 4.416
124 HG LEU 16 HG LEU 16 24.667 1.754 2.872
125 HD11 LEU 16 1HD1 LEU 16 24.298 0.178 5.409
126 HD12 LEU 16 2HD1 LEU 16 23.167 0.412 4.077
127 HD13 LEU 16 3HD1 LEU 16 23.484 1.729 5.206
128 HD21 LEU 16 1HD2 LEU 16 26.370 3.077 3.803
129 HD22 LEU 16 2HD2 LEU 16 26.527 2.043 5.223
130 HD23 LEU 16 3HD2 LEU 16 25.131 3.110 5.058
131 H LEU 17 H LEU 17 26.950 -1.435 0.940
132 HA LEU 17 HA LEU 17 28.881 -3.065 2.198
133 HB2 LEU 17 1HB LEU 17 27.105 -3.895 0.659
134 HB3 LEU 17 2HB LEU 17 27.972 -3.162 -0.689
135 HG LEU 17 HG LEU 17 29.994 -4.539 0.012
136 HD11 LEU 17 1HD1 LEU 17 27.866 -5.718 1.806
137 HD12 LEU 17 2HD1 LEU 17 29.466 -5.129 2.258
138 HD13 LEU 17 3HD1 LEU 17 29.304 -6.625 1.338
139 HD21 LEU 17 1HD2 LEU 17 27.419 -5.830 -0.917
140 HD22 LEU 17 2HD2 LEU 17 28.956 -6.695 -0.898
141 HD23 LEU 17 3HD2 LEU 17 28.764 -5.261 -1.907
142 H LEU 18 H LEU 18 29.074 -0.982 -0.670
143 HA LEU 18 HA LEU 18 31.777 -1.473 -1.295
144 HB2 LEU 18 1HB LEU 18 29.932 0.846 -1.818
145 HB3 LEU 18 2HB LEU 18 31.630 0.917 -2.288
146 HG LEU 18 HG LEU 18 31.189 -1.395 -3.394
147 HD11 LEU 18 1HD1 LEU 18 29.015 -1.882 -2.492
148 HD12 LEU 18 2HD1 LEU 18 28.787 -1.534 -4.206
149 HD13 LEU 18 3HD1 LEU 18 28.390 -0.312 -2.998
150 HD21 LEU 18 1HD2 LEU 18 30.326 -0.248 -5.447
151 HD22 LEU 18 2HD2 LEU 18 31.661 0.617 -4.685
152 HD23 LEU 18 3HD2 LEU 18 30.004 1.183 -4.468
153 H LEU 19 H LEU 19 30.245 0.922 0.833
154 HA LEU 19 HA LEU 19 32.561 2.324 1.595
155 HB2 LEU 19 1HB LEU 19 30.220 3.000 2.143
156 HB3 LEU 19 2HB LEU 19 30.159 1.699 3.331
157 HG LEU 19 HG LEU 19 32.249 2.736 4.374
158 HD11 LEU 19 1HD1 LEU 19 33.099 4.194 2.747
159 HD12 LEU 19 2HD1 LEU 19 32.263 5.300 3.836
160 HD13 LEU 19 3HD1 LEU 19 31.502 4.807 2.323
161 HD21 LEU 19 1HD2 LEU 19 30.943 4.353 5.637
162 HD22 LEU 19 2HD2 LEU 19 29.913 2.970 5.269
163 HD23 LEU 19 3HD2 LEU 19 29.753 4.460 4.339
164 H ALA 20 H ALA 20 31.120 -0.652 2.855
165 HA ALA 20 HA ALA 20 32.775 -0.939 5.122
166 HB1 ALA 20 1HB ALA 20 32.148 -3.395 4.905
167 HB2 ALA 20 2HB ALA 20 31.258 -2.945 3.451
168 HB3 ALA 20 3HB ALA 20 30.798 -2.263 5.011
169 H CYS 21 H CYS 21 33.136 -2.096 1.786
170 HA CYS 21 HA CYS 21 35.373 -3.740 2.198
171 HB2 CYS 21 1HB CYS 21 34.531 -2.177 -0.254
172 HB3 CYS 21 2HB CYS 21 35.774 -3.429 -0.242
173 HG CYS 21 HG CYS 21 33.897 -5.147 0.517
174 H ILE 22 H ILE 22 35.142 -0.286 1.404
175 HA ILE 22 HA ILE 22 37.882 0.127 0.869
176 HB ILE 22 HB ILE 22 35.845 2.094 1.951
177 HG12 ILE 22 1HG1 ILE 22 36.695 1.568 -0.912
178 HG13 ILE 22 2HG1 ILE 22 35.232 0.899 -0.189
179 HG21 ILE 22 1HG2 ILE 22 38.470 2.509 0.483
180 HG22 ILE 22 2HG2 ILE 22 38.148 2.918 2.168
181 HG23 ILE 22 3HG2 ILE 22 37.317 3.785 0.876
182 HD11 ILE 22 1HD1 ILE 22 35.902 3.801 -0.695
183 HD12 ILE 22 2HD1 ILE 22 34.624 3.321 0.422
184 HD13 ILE 22 3HD1 ILE 22 34.515 2.883 -1.283
185 H PHE 23 H PHE 23 35.993 0.686 3.829
186 HA PHE 23 HA PHE 23 38.180 1.551 5.402
187 HB2 PHE 23 1HB PHE 23 35.468 0.459 6.049
188 HB3 PHE 23 2HB PHE 23 36.638 0.719 7.329
189 HD1 PHE 23 HD1 PHE 23 34.470 2.324 4.828
190 HD2 PHE 23 HD2 PHE 23 37.341 2.974 7.954
191 HE1 PHE 23 HE1 PHE 23 33.841 4.720 4.906
192 HE2 PHE 23 HE2 PHE 23 36.711 5.372 8.034
193 HZ PHE 23 HZ PHE 23 34.961 6.245 6.509
194 H LEU 24 H LEU 24 36.832 -1.671 4.830
195 HA LEU 24 HA LEU 24 38.139 -2.993 6.940
196 HB2 LEU 24 1HB LEU 24 36.222 -3.910 5.640
197 HB3 LEU 24 2HB LEU 24 37.309 -4.152 4.272
198 HG LEU 24 HG LEU 24 38.771 -5.540 5.815
199 HD11 LEU 24 1HD1 LEU 24 37.454 -6.484 7.801
200 HD12 LEU 24 2HD1 LEU 24 36.352 -5.125 7.583
201 HD13 LEU 24 3HD1 LEU 24 38.046 -4.832 7.975
202 HD21 LEU 24 1HD2 LEU 24 37.125 -7.497 5.788
203 HD22 LEU 24 2HD2 LEU 24 37.391 -6.700 4.237
204 HD23 LEU 24 3HD2 LEU 24 35.930 -6.360 5.164
205 H ILE 25 H ILE 25 39.101 -2.483 3.544
206 HA ILE 25 HA ILE 25 41.401 -4.136 3.756
207 HB ILE 25 HB ILE 25 42.106 -3.130 1.606
208 HG12 ILE 25 1HG1 ILE 25 39.551 -1.514 1.839
209 HG13 ILE 25 2HG1 ILE 25 41.164 -0.835 2.041
210 HG21 ILE 25 1HG2 ILE 25 40.319 -4.118 0.343
211 HG22 ILE 25 2HG2 ILE 25 39.162 -3.830 1.643
212 HG23 ILE 25 3HG2 ILE 25 40.443 -5.024 1.851
213 HD11 ILE 25 1HD1 ILE 25 41.752 -1.618 -0.244
214 HD12 ILE 25 2HD1 ILE 25 40.415 -0.468 -0.250
215 HD13 ILE 25 3HD1 ILE 25 40.096 -2.191 -0.447
216 H LYS 26 H LYS 26 40.969 -0.619 4.134
217 HA LYS 26 HA LYS 26 43.701 0.037 4.280
218 HB2 LYS 26 1HB LYS 26 41.316 1.337 5.612
219 HB3 LYS 26 2HB LYS 26 42.935 2.037 5.566
220 HG2 LYS 26 1HG LYS 26 42.871 1.922 3.072
221 HG3 LYS 26 2HG LYS 26 41.204 1.353 3.174
222 HD2 LYS 26 1HD LYS 26 40.608 3.430 4.421
223 HD3 LYS 26 2HD LYS 26 42.257 4.009 4.187
224 HE2 LYS 26 1HE LYS 26 41.879 3.672 1.684
225 HE3 LYS 26 2HE LYS 26 40.170 3.469 2.069
226 HZ1 LYS 26 1HZ LYS 26 39.923 5.639 2.447
227 HZ2 LYS 26 2HZ LYS 26 41.393 5.832 1.618
228 HZ3 LYS 26 3HZ LYS 26 41.374 5.764 3.316
229 H ILE 27 H ILE 27 41.425 -0.997 6.790
230 HA ILE 27 HA ILE 27 43.293 -0.761 8.939
231 HB ILE 27 HB ILE 27 40.778 -2.445 8.775
232 HG12 ILE 27 1HG1 ILE 27 41.168 0.350 9.890
233 HG13 ILE 27 2HG1 ILE 27 40.465 0.010 8.309
234 HG21 ILE 27 1HG2 ILE 27 40.818 -2.335 11.215
235 HG22 ILE 27 2HG2 ILE 27 42.271 -1.336 11.175
236 HG23 ILE 27 3HG2 ILE 27 42.341 -3.017 10.642
237 HD11 ILE 27 1HD1 ILE 27 39.364 -0.648 11.035
238 HD12 ILE 27 2HD1 ILE 27 38.835 -1.540 9.609
239 HD13 ILE 27 3HD1 ILE 27 38.578 0.203 9.704
240 H LEU 28 H LEU 28 42.321 -3.416 6.819
241 HA LEU 28 HA LEU 28 43.451 -5.545 8.233
242 HB2 LEU 28 1HB LEU 28 41.874 -5.707 6.286
243 HB3 LEU 28 2HB LEU 28 43.226 -5.308 5.228
244 HG LEU 28 HG LEU 28 44.419 -7.291 6.484
245 HD11 LEU 28 1HD1 LEU 28 43.062 -8.883 7.504
246 HD12 LEU 28 2HD1 LEU 28 41.613 -8.342 6.658
247 HD13 LEU 28 3HD1 LEU 28 42.257 -7.395 7.996
248 HD21 LEU 28 1HD2 LEU 28 42.277 -7.532 4.362
249 HD22 LEU 28 2HD2 LEU 28 43.306 -8.891 4.818
250 HD23 LEU 28 3HD2 LEU 28 44.024 -7.432 4.134
251 H ALA 29 H ALA 29 44.864 -3.355 5.853
252 HA ALA 29 HA ALA 29 47.207 -4.691 5.255
253 HB1 ALA 29 1HB ALA 29 46.632 -2.700 4.058
254 HB2 ALA 29 2HB ALA 29 48.175 -2.400 4.857
255 HB3 ALA 29 3HB ALA 29 46.690 -1.729 5.528
256 H ALA 30 H ALA 30 46.443 -2.869 8.175
257 HA ALA 30 HA ALA 30 49.208 -3.331 9.148
258 HB1 ALA 30 1HB ALA 30 48.545 -1.442 10.781
259 HB2 ALA 30 2HB ALA 30 47.240 -1.114 9.639
260 HB3 ALA 30 3HB ALA 30 48.921 -1.010 9.113
261 H SER 31 H SER 31 45.963 -2.791 10.559
262 HA SER 31 HA SER 31 46.559 -3.819 13.067
263 HB2 SER 31 1HB SER 31 44.506 -2.516 12.432
264 HB3 SER 31 2HB SER 31 43.862 -3.988 11.716
265 HG SER 31 HG SER 31 43.290 -4.524 13.661
266 H ALA 32 H ALA 32 45.251 -5.542 10.235
267 HA ALA 32 HA ALA 32 44.789 -7.991 11.575
268 HB1 ALA 32 1HB ALA 32 45.477 -7.727 8.651
269 HB2 ALA 32 2HB ALA 32 43.896 -7.293 9.301
270 HB3 ALA 32 3HB ALA 32 44.476 -8.952 9.427
271 H LEU 33 H LEU 33 47.617 -6.730 9.840
272 HA LEU 33 HA LEU 33 49.079 -9.124 9.690
273 HB2 LEU 33 1HB LEU 33 49.649 -7.017 8.485
274 HB3 LEU 33 2HB LEU 33 50.185 -6.325 10.016
275 HG LEU 33 HG LEU 33 51.764 -8.302 10.235
276 HD11 LEU 33 1HD1 LEU 33 50.813 -9.891 8.736
277 HD12 LEU 33 2HD1 LEU 33 52.303 -9.356 7.959
278 HD13 LEU 33 3HD1 LEU 33 50.749 -8.721 7.417
279 HD21 LEU 33 1HD2 LEU 33 52.523 -6.072 9.485
280 HD22 LEU 33 2HD2 LEU 33 52.105 -6.490 7.823
281 HD23 LEU 33 3HD2 LEU 33 53.403 -7.351 8.650
282 H TRP 34 H TRP 34 48.912 -6.658 12.225
283 HA TRP 34 HA TRP 34 50.911 -7.817 13.886
284 HB2 TRP 34 1HB TRP 34 48.647 -5.926 14.509
285 HB3 TRP 34 2HB TRP 34 49.888 -6.377 15.660
286 HD1 TRP 34 HD1 TRP 34 49.110 -3.941 13.001
287 HE1 TRP 34 HE1 TRP 34 51.175 -2.494 12.468
288 HE3 TRP 34 HE3 TRP 34 52.709 -6.605 15.454
289 HZ2 TRP 34 HZ2 TRP 34 53.988 -2.470 13.011
290 HZ3 TRP 34 HZ3 TRP 34 55.066 -5.851 15.431
291 HH2 TRP 34 HH2 TRP 34 55.712 -3.791 14.215
292 H ALA 35 H ALA 35 47.352 -8.000 13.971
293 HA ALA 35 HA ALA 35 47.171 -9.478 16.359
294 HB1 ALA 35 1HB ALA 35 45.347 -8.206 15.011
295 HB2 ALA 35 2HB ALA 35 44.895 -9.657 15.905
296 HB3 ALA 35 3HB ALA 35 45.145 -9.738 14.162
297 H ALA 36 H ALA 36 47.632 -10.520 13.028
298 HA ALA 36 HA ALA 36 46.835 -13.191 13.261
299 HB1 ALA 36 1HB ALA 36 48.830 -11.795 11.491
300 HB2 ALA 36 2HB ALA 36 47.230 -12.411 11.078
301 HB3 ALA 36 3HB ALA 36 48.557 -13.534 11.375
302 H ALA 37 H ALA 37 49.878 -11.624 14.114
303 HA ALA 37 HA ALA 37 51.444 -13.940 14.487
304 HB1 ALA 37 1HB ALA 37 52.844 -12.509 15.941
305 HB2 ALA 37 2HB ALA 37 51.584 -11.274 15.918
306 HB3 ALA 37 3HB ALA 37 52.428 -11.702 14.429
307 H TRP 38 H TRP 38 49.268 -12.199 16.678
308 HA TRP 38 HA TRP 38 49.826 -13.643 19.024
309 HB2 TRP 38 1HB TRP 38 48.514 -11.537 18.907
310 HB3 TRP 38 2HB TRP 38 47.191 -12.434 18.186
311 HD1 TRP 38 HD1 TRP 38 45.460 -13.329 19.809
312 HE1 TRP 38 HE1 TRP 38 45.355 -13.739 22.350
313 HE3 TRP 38 HE3 TRP 38 50.281 -12.228 21.079
314 HZ2 TRP 38 HZ2 TRP 38 47.089 -13.616 24.627
315 HZ3 TRP 38 HZ3 TRP 38 51.027 -12.382 23.434
316 HH2 TRP 38 HH2 TRP 38 49.442 -13.074 25.208
317 H HIS 39 H HIS 39 47.656 -14.340 16.327
318 HA HIS 39 HA HIS 39 46.736 -16.790 17.691
319 HB2 HIS 39 1HB HIS 39 45.659 -15.364 15.258
320 HB3 HIS 39 2HB HIS 39 44.994 -16.836 15.939
321 HD1 HIS 39 HD1 HIS 39 45.160 -13.143 16.436
322 HD2 HIS 39 HD2 HIS 39 43.564 -16.454 18.403
323 HE1 HIS 39 HE1 HIS 39 43.570 -12.239 18.185
324 H GLY 40 H GLY 40 46.123 -18.499 15.831
325 HA2 GLY 40 1HA GLY 40 48.658 -19.438 14.871
326 HA3 GLY 40 2HA GLY 40 47.096 -20.213 14.622
327 H GLN 41 H GLN 41 48.387 -20.506 12.475
328 HA GLN 41 HA GLN 41 48.819 -18.362 10.719
329 HB2 GLN 41 1HB GLN 41 48.104 -21.229 10.054
330 HB3 GLN 41 2HB GLN 41 48.815 -20.062 8.940
331 HG2 GLN 41 1HG GLN 41 50.084 -21.071 11.504
332 HG3 GLN 41 2HG GLN 41 50.548 -21.535 9.870
333 HE21 GLN 41 1HE2 GLN 41 51.744 -19.746 12.269
334 HE22 GLN 41 2HE2 GLN 41 52.415 -18.446 11.409
335 H LYS 42 H LYS 42 45.949 -20.396 11.213
336 HA LYS 42 HA LYS 42 43.790 -20.213 10.456
337 HB2 LYS 42 1HB LYS 42 44.698 -17.458 11.116
338 HB3 LYS 42 2HB LYS 42 43.218 -17.572 10.170
339 HG2 LYS 42 1HG LYS 42 42.618 -17.555 12.515
340 HG3 LYS 42 2HG LYS 42 42.323 -19.177 11.888
341 HD2 LYS 42 1HD LYS 42 44.585 -19.850 12.748
342 HD3 LYS 42 2HD LYS 42 44.715 -18.264 13.508
343 HE2 LYS 42 1HE LYS 42 42.506 -18.775 14.667
344 HE3 LYS 42 2HE LYS 42 42.690 -20.432 14.094
345 HZ1 LYS 42 1HZ LYS 42 43.657 -20.454 16.185
346 HZ2 LYS 42 2HZ LYS 42 44.388 -18.934 15.985
347 HZ3 LYS 42 3HZ LYS 42 44.993 -20.287 15.153
348 HA PRO 43 HA PRO 43 45.407 -19.900 6.053
349 HB2 PRO 43 1HB PRO 43 43.194 -21.899 5.821
350 HB3 PRO 43 2HB PRO 43 44.799 -21.898 5.063
351 HG2 PRO 43 1HG PRO 43 44.247 -23.464 7.139
352 HG3 PRO 43 2HG PRO 43 45.839 -22.709 6.937
353 HD2 PRO 43 1HD PRO 43 43.682 -22.037 8.870
354 HD3 PRO 43 2HD PRO 43 45.439 -21.815 9.014
355 H GLY 44 H GLY 44 44.610 -17.828 5.672
356 HA2 GLY 44 1HA GLY 44 41.730 -17.409 5.410
357 HA3 GLY 44 2HA GLY 44 42.979 -16.171 5.313
358 H THR 45 H THR 45 41.376 -15.704 3.431
359 HA THR 45 HA THR 45 41.716 -17.306 1.055
360 HB THR 45 HB THR 45 40.589 -14.508 1.325
361 HG1 THR 45 HG1 THR 45 39.120 -15.549 2.398
362 HG21 THR 45 1HG2 THR 45 41.205 -15.260 -0.976
363 HG22 THR 45 2HG2 THR 45 39.470 -15.021 -0.775
364 HG23 THR 45 3HG2 THR 45 40.143 -16.652 -0.770
365 H HIS 46 H HIS 46 43.091 -16.979 -0.623
366 HA HIS 46 HA HIS 46 44.825 -14.592 -0.582
367 HB2 HIS 46 1HB HIS 46 45.807 -17.418 -0.995
368 HB3 HIS 46 2HB HIS 46 46.780 -15.960 -1.031
369 HD1 HIS 46 HD1 HIS 46 46.770 -14.590 1.369
370 HD2 HIS 46 HD2 HIS 46 45.708 -18.620 1.477
371 HE1 HIS 46 HE1 HIS 46 47.013 -15.330 3.777
Start of MODEL 13
1 H ARG 1 3H ARG 1 34.993 11.941 -8.329
2 HA ARG 1 HA ARG 1 36.142 10.251 -9.896
3 HB2 ARG 1 1HB ARG 1 35.740 8.683 -7.330
4 HB3 ARG 1 2HB ARG 1 36.123 7.975 -8.900
5 HG2 ARG 1 1HG ARG 1 38.208 9.337 -8.970
6 HG3 ARG 1 2HG ARG 1 37.842 9.935 -7.352
7 HD2 ARG 1 1HD ARG 1 37.790 7.539 -6.568
8 HD3 ARG 1 2HD ARG 1 38.381 7.067 -8.158
9 HE ARG 1 HE ARG 1 40.122 9.022 -7.230
10 HH11 ARG 1 1HH1 ARG 1 39.140 5.816 -6.190
11 HH12 ARG 1 2HH1 ARG 1 40.657 5.492 -5.420
12 HH21 ARG 1 1HH2 ARG 1 42.053 8.548 -6.221
13 HH22 ARG 1 2HH2 ARG 1 42.285 7.021 -5.437
14 H SER 2 H SER 2 33.812 9.275 -7.370
15 HA SER 2 HA SER 2 31.858 8.308 -9.125
16 HB2 SER 2 1HB SER 2 30.357 8.353 -7.227
17 HB3 SER 2 2HB SER 2 31.955 7.854 -6.682
18 HG SER 2 HG SER 2 31.707 9.458 -5.331
19 H LEU 3 H LEU 3 32.520 11.595 -8.094
20 HA LEU 3 HA LEU 3 30.020 12.760 -8.655
21 HB2 LEU 3 1HB LEU 3 32.769 14.005 -8.887
22 HB3 LEU 3 2HB LEU 3 31.243 14.880 -8.765
23 HG LEU 3 HG LEU 3 32.303 12.961 -6.668
24 HD11 LEU 3 1HD1 LEU 3 32.491 15.170 -5.357
25 HD12 LEU 3 2HD1 LEU 3 32.375 15.972 -6.924
26 HD13 LEU 3 3HD1 LEU 3 33.713 14.872 -6.593
27 HD21 LEU 3 1HD2 LEU 3 30.488 14.162 -5.306
28 HD22 LEU 3 2HD2 LEU 3 29.919 13.027 -6.529
29 HD23 LEU 3 3HD2 LEU 3 29.876 14.761 -6.847
30 H LEU 4 H LEU 4 32.732 11.949 -10.763
31 HA LEU 4 HA LEU 4 32.049 13.537 -12.977
32 HB2 LEU 4 1HB LEU 4 33.371 10.812 -12.970
33 HB3 LEU 4 2HB LEU 4 33.415 11.983 -14.288
34 HG LEU 4 HG LEU 4 34.481 12.493 -11.494
35 HD11 LEU 4 1HD1 LEU 4 36.692 12.508 -12.876
36 HD12 LEU 4 2HD1 LEU 4 35.771 11.580 -14.060
37 HD13 LEU 4 3HD1 LEU 4 35.994 10.951 -12.427
38 HD21 LEU 4 1HD2 LEU 4 35.624 14.398 -12.858
39 HD22 LEU 4 2HD2 LEU 4 33.928 14.595 -12.415
40 HD23 LEU 4 3HD2 LEU 4 34.361 14.093 -14.050
41 H GLU 5 H GLU 5 30.986 10.299 -12.021
42 HA GLU 5 HA GLU 5 29.479 9.770 -14.379
43 HB2 GLU 5 1HB GLU 5 29.302 8.624 -11.588
44 HB3 GLU 5 2HB GLU 5 28.360 8.029 -12.955
45 HG2 GLU 5 1HG GLU 5 30.272 6.629 -12.883
46 HG3 GLU 5 2HG GLU 5 30.587 7.766 -14.187
47 H GLY 6 H GLY 6 28.698 11.310 -11.295
48 HA2 GLY 6 1HA GLY 6 26.961 12.742 -10.770
49 HA3 GLY 6 2HA GLY 6 26.439 12.654 -12.449
50 H GLU 7 H GLU 7 26.871 9.912 -10.257
51 HA GLU 7 HA GLU 7 23.976 9.337 -10.510
52 HB2 GLU 7 1HB GLU 7 26.301 7.445 -10.087
53 HB3 GLU 7 2HB GLU 7 24.602 6.974 -10.166
54 HG2 GLU 7 1HG GLU 7 24.467 7.956 -12.449
55 HG3 GLU 7 2HG GLU 7 26.184 8.323 -12.371
56 H ILE 8 H ILE 8 22.904 8.422 -8.690
57 HA ILE 8 HA ILE 8 24.135 9.169 -6.102
58 HB ILE 8 HB ILE 8 21.814 9.368 -5.273
59 HG12 ILE 8 1HG1 ILE 8 21.024 8.956 -8.173
60 HG13 ILE 8 2HG1 ILE 8 20.848 7.727 -6.920
61 HG21 ILE 8 1HG2 ILE 8 22.983 11.340 -6.196
62 HG22 ILE 8 2HG2 ILE 8 21.252 11.419 -6.522
63 HG23 ILE 8 3HG2 ILE 8 22.371 10.949 -7.803
64 HD11 ILE 8 1HD1 ILE 8 18.737 8.960 -7.232
65 HD12 ILE 8 2HD1 ILE 8 19.569 10.476 -6.882
66 HD13 ILE 8 3HD1 ILE 8 19.401 9.250 -5.624
67 HA PRO 9 HA PRO 9 23.731 4.905 -4.979
68 HB2 PRO 9 1HB PRO 9 23.672 4.990 -2.280
69 HB3 PRO 9 2HB PRO 9 25.114 5.463 -3.202
70 HG2 PRO 9 1HG PRO 9 23.115 7.152 -1.827
71 HG3 PRO 9 2HG PRO 9 24.848 7.418 -2.075
72 HD2 PRO 9 1HD PRO 9 22.772 8.577 -3.580
73 HD3 PRO 9 2HD PRO 9 24.494 8.558 -4.013
74 H PHE 10 H PHE 10 21.534 4.797 -5.970
75 HA PHE 10 HA PHE 10 19.138 5.244 -4.676
76 HB2 PHE 10 1HB PHE 10 19.805 4.248 -7.083
77 HB3 PHE 10 2HB PHE 10 19.271 2.773 -6.302
78 HD1 PHE 10 HD1 PHE 10 18.255 6.188 -7.325
79 HD2 PHE 10 HD2 PHE 10 16.952 2.368 -5.855
80 HE1 PHE 10 HE1 PHE 10 15.899 6.820 -7.770
81 HE2 PHE 10 HE2 PHE 10 14.596 3.000 -6.300
82 HZ PHE 10 HZ PHE 10 14.069 5.226 -7.257
83 HA PRO 11 HA PRO 11 19.140 1.084 -2.524
84 HB2 PRO 11 1HB PRO 11 21.326 -0.634 -2.905
85 HB3 PRO 11 2HB PRO 11 19.786 -0.683 -3.773
86 HG2 PRO 11 1HG PRO 11 22.317 -0.056 -4.826
87 HG3 PRO 11 2HG PRO 11 20.749 0.059 -5.639
88 HD2 PRO 11 1HD PRO 11 22.362 2.212 -4.360
89 HD3 PRO 11 2HD PRO 11 21.227 2.309 -5.725
90 HA PRO 12 HA PRO 12 21.885 3.073 0.623
91 HB2 PRO 12 1HB PRO 12 20.204 1.450 2.476
92 HB3 PRO 12 2HB PRO 12 20.639 3.169 2.555
93 HG2 PRO 12 1HG PRO 12 18.209 2.392 1.823
94 HG3 PRO 12 2HG PRO 12 19.000 3.795 1.078
95 HD2 PRO 12 1HD PRO 12 18.577 1.061 -0.048
96 HD3 PRO 12 2HD PRO 12 18.604 2.633 -0.874
97 H THR 13 H THR 13 20.839 -0.329 1.013
98 HA THR 13 HA THR 13 23.029 -1.123 2.596
99 HB THR 13 HB THR 13 22.336 -3.414 2.073
100 HG1 THR 13 HG1 THR 13 21.867 -2.798 -0.188
101 HG21 THR 13 1HG2 THR 13 21.023 -2.299 3.746
102 HG22 THR 13 2HG2 THR 13 19.893 -3.147 2.691
103 HG23 THR 13 3HG2 THR 13 20.117 -1.406 2.525
104 H SER 14 H SER 14 22.903 -0.543 -0.812
105 HA SER 14 HA SER 14 24.876 -2.588 -1.482
106 HB2 SER 14 1HB SER 14 23.555 -0.457 -3.182
107 HB3 SER 14 2HB SER 14 24.651 -1.695 -3.785
108 HG SER 14 HG SER 14 22.270 -2.101 -3.846
109 H ILE 15 H ILE 15 24.565 0.934 -1.565
110 HA ILE 15 HA ILE 15 27.307 1.469 -2.076
111 HB ILE 15 HB ILE 15 25.505 3.133 -2.413
112 HG12 ILE 15 1HG1 ILE 15 26.751 5.046 -1.299
113 HG13 ILE 15 2HG1 ILE 15 27.771 3.827 -0.533
114 HG21 ILE 15 1HG2 ILE 15 24.157 2.656 -0.419
115 HG22 ILE 15 2HG2 ILE 15 24.624 4.356 -0.455
116 HG23 ILE 15 3HG2 ILE 15 25.463 3.234 0.617
117 HD11 ILE 15 1HD1 ILE 15 27.341 3.798 -3.513
118 HD12 ILE 15 2HD1 ILE 15 28.670 3.109 -2.581
119 HD13 ILE 15 3HD1 ILE 15 28.556 4.856 -2.795
120 H LEU 16 H LEU 16 25.442 0.907 0.871
121 HA LEU 16 HA LEU 16 27.453 1.603 2.743
122 HB2 LEU 16 1HB LEU 16 25.067 1.180 3.321
123 HB3 LEU 16 2HB LEU 16 25.325 -0.536 3.006
124 HG LEU 16 HG LEU 16 27.191 -0.468 4.720
125 HD11 LEU 16 1HD1 LEU 16 27.702 1.861 4.822
126 HD12 LEU 16 2HD1 LEU 16 26.937 1.477 6.364
127 HD13 LEU 16 3HD1 LEU 16 26.015 2.292 5.101
128 HD21 LEU 16 1HD2 LEU 16 24.329 0.155 5.485
129 HD22 LEU 16 2HD2 LEU 16 25.549 -0.301 6.674
130 HD23 LEU 16 3HD2 LEU 16 25.103 -1.426 5.392
131 H LEU 17 H LEU 17 26.787 -1.368 0.938
132 HA LEU 17 HA LEU 17 28.557 -3.056 2.373
133 HB2 LEU 17 1HB LEU 17 26.768 -3.865 0.838
134 HB3 LEU 17 2HB LEU 17 27.718 -3.279 -0.528
135 HG LEU 17 HG LEU 17 29.623 -4.733 0.311
136 HD11 LEU 17 1HD1 LEU 17 27.399 -5.605 2.157
137 HD12 LEU 17 2HD1 LEU 17 29.053 -5.155 2.570
138 HD13 LEU 17 3HD1 LEU 17 28.734 -6.685 1.753
139 HD21 LEU 17 1HD2 LEU 17 28.687 -6.770 -0.665
140 HD22 LEU 17 2HD2 LEU 17 28.102 -5.372 -1.567
141 HD23 LEU 17 3HD2 LEU 17 27.049 -6.174 -0.402
142 H LEU 18 H LEU 18 28.954 -1.145 -0.580
143 HA LEU 18 HA LEU 18 31.616 -1.846 -1.154
144 HB2 LEU 18 1HB LEU 18 30.028 -0.564 -2.641
145 HB3 LEU 18 2HB LEU 18 30.345 0.856 -1.645
146 HG LEU 18 HG LEU 18 32.677 -0.679 -2.748
147 HD11 LEU 18 1HD1 LEU 18 30.893 -0.163 -4.574
148 HD12 LEU 18 2HD1 LEU 18 32.561 0.327 -4.871
149 HD13 LEU 18 3HD1 LEU 18 31.373 1.519 -4.344
150 HD21 LEU 18 1HD2 LEU 18 33.364 1.073 -1.352
151 HD22 LEU 18 2HD2 LEU 18 32.048 2.128 -1.865
152 HD23 LEU 18 3HD2 LEU 18 33.414 1.835 -2.941
153 H LEU 19 H LEU 19 30.249 0.724 0.880
154 HA LEU 19 HA LEU 19 32.649 1.978 1.626
155 HB2 LEU 19 1HB LEU 19 30.368 2.851 2.117
156 HB3 LEU 19 2HB LEU 19 30.180 1.590 3.337
157 HG LEU 19 HG LEU 19 32.290 2.475 4.429
158 HD11 LEU 19 1HD1 LEU 19 31.860 4.548 2.282
159 HD12 LEU 19 2HD1 LEU 19 33.353 3.722 2.730
160 HD13 LEU 19 3HD1 LEU 19 32.678 4.962 3.788
161 HD21 LEU 19 1HD2 LEU 19 31.088 4.574 5.296
162 HD22 LEU 19 2HD2 LEU 19 30.221 3.047 5.462
163 HD23 LEU 19 3HD2 LEU 19 29.796 4.166 4.165
164 H ALA 20 H ALA 20 31.001 -0.862 2.948
165 HA ALA 20 HA ALA 20 32.600 -1.204 5.243
166 HB1 ALA 20 1HB ALA 20 31.381 -3.460 3.651
167 HB2 ALA 20 2HB ALA 20 30.416 -2.390 4.666
168 HB3 ALA 20 3HB ALA 20 31.676 -3.390 5.388
169 H CYS 21 H CYS 21 32.955 -2.440 1.938
170 HA CYS 21 HA CYS 21 35.159 -4.118 2.384
171 HB2 CYS 21 1HB CYS 21 34.393 -2.551 -0.090
172 HB3 CYS 21 2HB CYS 21 35.598 -3.837 -0.050
173 HG CYS 21 HG CYS 21 33.787 -5.567 0.224
174 H ILE 22 H ILE 22 34.995 -0.668 1.578
175 HA ILE 22 HA ILE 22 37.746 -0.257 1.140
176 HB ILE 22 HB ILE 22 35.718 1.708 2.244
177 HG12 ILE 22 1HG1 ILE 22 36.609 1.262 -0.619
178 HG13 ILE 22 2HG1 ILE 22 35.132 0.575 0.054
179 HG21 ILE 22 1HG2 ILE 22 38.145 2.357 2.464
180 HG22 ILE 22 2HG2 ILE 22 37.218 3.423 1.409
181 HG23 ILE 22 3HG2 ILE 22 38.289 2.208 0.712
182 HD11 ILE 22 1HD1 ILE 22 34.766 2.743 -1.163
183 HD12 ILE 22 2HD1 ILE 22 35.763 3.541 0.051
184 HD13 ILE 22 3HD1 ILE 22 34.243 2.781 0.519
185 H PHE 23 H PHE 23 35.794 0.058 4.094
186 HA PHE 23 HA PHE 23 37.863 0.976 5.770
187 HB2 PHE 23 1HB PHE 23 35.275 -0.443 6.265
188 HB3 PHE 23 2HB PHE 23 36.403 -0.210 7.587
189 HD1 PHE 23 HD1 PHE 23 37.117 2.145 8.186
190 HD2 PHE 23 HD2 PHE 23 33.869 1.311 5.502
191 HE1 PHE 23 HE1 PHE 23 36.258 4.448 8.512
192 HE2 PHE 23 HE2 PHE 23 33.009 3.616 5.829
193 HZ PHE 23 HZ PHE 23 34.204 5.183 7.334
194 H LEU 24 H LEU 24 36.797 -2.312 4.984
195 HA LEU 24 HA LEU 24 38.298 -3.657 6.943
196 HB2 LEU 24 1HB LEU 24 36.460 -4.672 5.607
197 HB3 LEU 24 2HB LEU 24 37.524 -4.678 4.201
198 HG LEU 24 HG LEU 24 39.170 -6.029 5.580
199 HD11 LEU 24 1HD1 LEU 24 36.784 -6.028 7.438
200 HD12 LEU 24 2HD1 LEU 24 38.449 -5.582 7.811
201 HD13 LEU 24 3HD1 LEU 24 38.034 -7.270 7.509
202 HD21 LEU 24 1HD2 LEU 24 37.696 -8.137 5.453
203 HD22 LEU 24 2HD2 LEU 24 37.904 -7.224 3.959
204 HD23 LEU 24 3HD2 LEU 24 36.414 -7.064 4.890
205 H ILE 25 H ILE 25 39.103 -2.785 3.590
206 HA ILE 25 HA ILE 25 41.551 -4.228 3.595
207 HB ILE 25 HB ILE 25 42.081 -2.921 1.524
208 HG12 ILE 25 1HG1 ILE 25 39.302 -1.778 1.938
209 HG13 ILE 25 2HG1 ILE 25 40.785 -0.859 2.181
210 HG21 ILE 25 1HG2 ILE 25 40.835 -5.072 1.537
211 HG22 ILE 25 2HG2 ILE 25 40.332 -4.017 0.216
212 HG23 ILE 25 3HG2 ILE 25 39.322 -4.172 1.655
213 HD11 ILE 25 1HD1 ILE 25 39.924 -2.177 -0.407
214 HD12 ILE 25 2HD1 ILE 25 41.436 -1.302 -0.165
215 HD13 ILE 25 3HD1 ILE 25 39.896 -0.446 -0.066
216 H LYS 26 H LYS 26 40.833 -0.793 4.218
217 HA LYS 26 HA LYS 26 43.515 0.072 4.325
218 HB2 LYS 26 1HB LYS 26 41.134 1.164 5.839
219 HB3 LYS 26 2HB LYS 26 42.664 1.999 5.580
220 HG2 LYS 26 1HG LYS 26 40.840 1.047 3.356
221 HG3 LYS 26 2HG LYS 26 40.884 2.699 3.967
222 HD2 LYS 26 1HD LYS 26 43.348 2.745 3.406
223 HD3 LYS 26 2HD LYS 26 43.128 1.189 2.602
224 HE2 LYS 26 1HE LYS 26 41.799 2.087 0.916
225 HE3 LYS 26 2HE LYS 26 41.311 3.470 1.896
226 HZ1 LYS 26 1HZ LYS 26 43.317 4.533 1.551
227 HZ2 LYS 26 2HZ LYS 26 43.029 3.814 0.039
228 HZ3 LYS 26 3HZ LYS 26 44.132 3.109 1.122
229 H ILE 27 H ILE 27 41.400 -1.272 6.831
230 HA ILE 27 HA ILE 27 43.182 -0.826 8.991
231 HB ILE 27 HB ILE 27 41.006 -2.914 8.698
232 HG12 ILE 27 1HG1 ILE 27 40.917 -0.207 10.054
233 HG13 ILE 27 2HG1 ILE 27 40.358 -0.473 8.403
234 HG21 ILE 27 1HG2 ILE 27 42.288 -1.749 11.191
235 HG22 ILE 27 2HG2 ILE 27 42.623 -3.358 10.554
236 HG23 ILE 27 3HG2 ILE 27 41.009 -2.962 11.143
237 HD11 ILE 27 1HD1 ILE 27 38.824 -2.262 9.285
238 HD12 ILE 27 2HD1 ILE 27 38.444 -0.644 9.878
239 HD13 ILE 27 3HD1 ILE 27 39.294 -1.787 10.918
240 H LEU 28 H LEU 28 42.659 -3.667 6.897
241 HA LEU 28 HA LEU 28 44.382 -5.422 8.249
242 HB2 LEU 28 1HB LEU 28 42.757 -6.090 6.482
243 HB3 LEU 28 2HB LEU 28 43.813 -5.352 5.277
244 HG LEU 28 HG LEU 28 45.668 -6.856 6.127
245 HD11 LEU 28 1HD1 LEU 28 43.327 -7.902 7.711
246 HD12 LEU 28 2HD1 LEU 28 44.958 -7.530 8.269
247 HD13 LEU 28 3HD1 LEU 28 44.670 -8.963 7.283
248 HD21 LEU 28 1HD2 LEU 28 44.902 -8.771 4.852
249 HD22 LEU 28 2HD2 LEU 28 44.265 -7.318 4.083
250 HD23 LEU 28 3HD2 LEU 28 43.217 -8.312 5.093
251 H ALA 29 H ALA 29 45.001 -3.149 5.603
252 HA ALA 29 HA ALA 29 47.742 -3.778 5.258
253 HB1 ALA 29 1HB ALA 29 46.066 -2.313 3.822
254 HB2 ALA 29 2HB ALA 29 47.802 -2.003 3.786
255 HB3 ALA 29 3HB ALA 29 46.748 -1.001 4.784
256 H ALA 30 H ALA 30 46.062 -1.490 7.363
257 HA ALA 30 HA ALA 30 48.649 -0.722 8.572
258 HB1 ALA 30 1HB ALA 30 47.095 1.132 9.579
259 HB2 ALA 30 2HB ALA 30 46.023 0.690 8.250
260 HB3 ALA 30 3HB ALA 30 47.653 1.272 7.913
261 H SER 31 H SER 31 47.529 -3.219 9.232
262 HA SER 31 HA SER 31 45.790 -3.295 11.404
263 HB2 SER 31 1HB SER 31 48.144 -5.124 10.884
264 HB3 SER 31 2HB SER 31 46.758 -5.482 11.908
265 HG SER 31 HG SER 31 46.495 -6.341 9.812
266 H ALA 32 H ALA 32 49.286 -2.735 11.345
267 HA ALA 32 HA ALA 32 49.755 -2.935 14.115
268 HB1 ALA 32 1HB ALA 32 51.450 -2.750 12.172
269 HB2 ALA 32 2HB ALA 32 51.845 -1.946 13.692
270 HB3 ALA 32 3HB ALA 32 51.227 -1.008 12.332
271 H LEU 33 H LEU 33 48.969 -0.106 12.091
272 HA LEU 33 HA LEU 33 49.083 1.818 14.142
273 HB2 LEU 33 1HB LEU 33 47.346 1.826 11.661
274 HB3 LEU 33 2HB LEU 33 47.764 3.232 12.640
275 HG LEU 33 HG LEU 33 49.773 1.472 11.201
276 HD11 LEU 33 1HD1 LEU 33 49.959 3.225 9.577
277 HD12 LEU 33 2HD1 LEU 33 48.940 4.305 10.530
278 HD13 LEU 33 3HD1 LEU 33 48.236 2.890 9.746
279 HD21 LEU 33 1HD2 LEU 33 49.985 4.005 12.846
280 HD22 LEU 33 2HD2 LEU 33 51.248 3.509 11.719
281 HD23 LEU 33 3HD2 LEU 33 50.835 2.478 13.089
282 H TRP 34 H TRP 34 46.448 -0.271 13.051
283 HA TRP 34 HA TRP 34 44.365 0.926 14.521
284 HB2 TRP 34 1HB TRP 34 44.110 -0.763 12.691
285 HB3 TRP 34 2HB TRP 34 44.653 -1.994 13.816
286 HD1 TRP 34 HD1 TRP 34 41.686 0.188 12.934
287 HE1 TRP 34 HE1 TRP 34 39.626 -0.610 14.261
288 HE3 TRP 34 HE3 TRP 34 43.909 -3.160 16.084
289 HZ2 TRP 34 HZ2 TRP 34 39.001 -2.430 16.381
290 HZ3 TRP 34 HZ3 TRP 34 42.563 -4.409 17.742
291 HH2 TRP 34 HH2 TRP 34 40.116 -4.051 17.897
292 H ALA 35 H ALA 35 46.600 -1.704 15.354
293 HA ALA 35 HA ALA 35 45.476 -2.364 17.847
294 HB1 ALA 35 1HB ALA 35 47.353 -3.540 16.455
295 HB2 ALA 35 2HB ALA 35 47.389 -3.642 18.215
296 HB3 ALA 35 3HB ALA 35 48.437 -2.498 17.376
297 H ALA 36 H ALA 36 48.024 -0.056 16.978
298 HA ALA 36 HA ALA 36 48.582 0.891 19.568
299 HB1 ALA 36 1HB ALA 36 49.940 1.373 17.527
300 HB2 ALA 36 2HB ALA 36 49.572 2.811 18.479
301 HB3 ALA 36 3HB ALA 36 48.675 2.482 16.998
302 H ALA 37 H ALA 37 46.046 1.761 17.272
303 HA ALA 37 HA ALA 37 45.126 4.110 18.517
304 HB1 ALA 37 1HB ALA 37 44.497 3.067 16.227
305 HB2 ALA 37 2HB ALA 37 43.259 3.946 17.124
306 HB3 ALA 37 3HB ALA 37 43.277 2.183 17.144
307 H TRP 38 H TRP 38 44.597 0.732 19.321
308 HA TRP 38 HA TRP 38 42.253 0.846 20.794
309 HB2 TRP 38 1HB TRP 38 43.552 -1.207 20.257
310 HB3 TRP 38 2HB TRP 38 44.715 -0.754 21.489
311 HD1 TRP 38 HD1 TRP 38 44.224 -1.494 23.889
312 HE1 TRP 38 HE1 TRP 38 42.249 -2.660 25.064
313 HE3 TRP 38 HE3 TRP 38 40.768 -1.369 20.133
314 HZ2 TRP 38 HZ2 TRP 38 39.554 -3.438 24.486
315 HZ3 TRP 38 HZ3 TRP 38 38.510 -2.327 20.470
316 HH2 TRP 38 HH2 TRP 38 37.897 -3.361 22.637
317 H HIS 39 H HIS 39 45.513 1.814 21.759
318 HA HIS 39 HA HIS 39 44.470 2.655 24.391
319 HB2 HIS 39 1HB HIS 39 47.297 2.272 23.401
320 HB3 HIS 39 2HB HIS 39 46.875 2.884 24.989
321 HD1 HIS 39 HD1 HIS 39 47.012 -0.244 22.948
322 HD2 HIS 39 HD2 HIS 39 45.871 0.896 26.792
323 HE1 HIS 39 HE1 HIS 39 46.723 -2.382 24.272
324 H GLY 40 H GLY 40 44.367 4.759 24.933
325 HA2 GLY 40 1HA GLY 40 45.626 6.973 24.548
326 HA3 GLY 40 2HA GLY 40 45.140 6.726 22.873
327 H GLN 41 H GLN 41 44.419 8.721 25.116
328 HA GLN 41 HA GLN 41 41.741 8.400 25.866
329 HB2 GLN 41 1HB GLN 41 43.310 10.107 26.791
330 HB3 GLN 41 2HB GLN 41 43.146 11.016 25.287
331 HG2 GLN 41 1HG GLN 41 40.662 11.063 25.666
332 HG3 GLN 41 2HG GLN 41 40.939 10.333 27.246
333 HE21 GLN 41 1HE2 GLN 41 40.876 11.914 28.841
334 HE22 GLN 41 2HE2 GLN 41 41.505 13.482 28.683
335 H LYS 42 H LYS 42 43.154 9.781 22.927
336 HA LYS 42 HA LYS 42 40.712 10.812 21.897
337 HB2 LYS 42 1HB LYS 42 43.253 10.030 20.447
338 HB3 LYS 42 2HB LYS 42 41.944 11.000 19.768
339 HG2 LYS 42 1HG LYS 42 42.274 12.649 21.626
340 HG3 LYS 42 2HG LYS 42 43.682 11.720 22.145
341 HD2 LYS 42 1HD LYS 42 44.573 11.998 19.767
342 HD3 LYS 42 2HD LYS 42 43.296 13.193 19.533
343 HE2 LYS 42 1HE LYS 42 44.169 14.364 21.614
344 HE3 LYS 42 2HE LYS 42 45.565 13.289 21.533
345 HZ1 LYS 42 1HZ LYS 42 44.669 15.191 19.436
346 HZ2 LYS 42 2HZ LYS 42 45.942 14.081 19.251
347 HZ3 LYS 42 3HZ LYS 42 46.060 15.327 20.399
348 HA PRO 43 HA PRO 43 38.718 7.158 20.371
349 HB2 PRO 43 1HB PRO 43 38.238 8.533 17.775
350 HB3 PRO 43 2HB PRO 43 37.077 7.807 18.904
351 HG2 PRO 43 1HG PRO 43 37.332 10.445 18.663
352 HG3 PRO 43 2HG PRO 43 36.978 9.676 20.222
353 HD2 PRO 43 1HD PRO 43 39.555 10.837 19.243
354 HD3 PRO 43 2HD PRO 43 38.875 10.814 20.885
355 H GLY 44 H GLY 44 38.855 5.495 18.658
356 HA2 GLY 44 1HA GLY 44 41.474 4.827 17.962
357 HA3 GLY 44 2HA GLY 44 40.034 4.125 17.233
358 H THR 45 H THR 45 38.999 6.555 16.110
359 HA THR 45 HA THR 45 40.722 6.711 13.762
360 HB THR 45 HB THR 45 38.026 7.998 14.252
361 HG1 THR 45 HG1 THR 45 37.327 6.044 14.050
362 HG21 THR 45 1HG2 THR 45 39.757 7.555 11.816
363 HG22 THR 45 2HG2 THR 45 39.091 9.073 12.417
364 HG23 THR 45 3HG2 THR 45 38.026 7.870 11.691
365 H HIS 46 H HIS 46 41.855 8.473 13.123
366 HA HIS 46 HA HIS 46 41.850 10.815 14.936
367 HB2 HIS 46 1HB HIS 46 44.134 11.201 14.214
368 HB3 HIS 46 2HB HIS 46 43.967 9.578 14.853
369 HD1 HIS 46 HD1 HIS 46 43.720 7.644 12.939
370 HD2 HIS 46 HD2 HIS 46 45.236 11.321 11.686
371 HE1 HIS 46 HE1 HIS 46 44.853 7.230 10.713
Start of MODEL 14
1 H ARG 1 3H ARG 1 24.942 -10.973 -8.889
2 HA ARG 1 HA ARG 1 23.745 -13.070 -9.226
3 HB2 ARG 1 1HB ARG 1 24.154 -13.917 -6.916
4 HB3 ARG 1 2HB ARG 1 23.021 -12.713 -6.303
5 HG2 ARG 1 1HG ARG 1 21.260 -13.677 -7.791
6 HG3 ARG 1 2HG ARG 1 22.393 -14.945 -8.256
7 HD2 ARG 1 1HD ARG 1 21.440 -14.392 -5.431
8 HD3 ARG 1 2HD ARG 1 20.884 -15.705 -6.459
9 HE ARG 1 HE ARG 1 22.940 -16.795 -6.154
10 HH11 ARG 1 1HH1 ARG 1 23.018 -13.646 -4.592
11 HH12 ARG 1 2HH1 ARG 1 24.415 -14.044 -3.652
12 HH21 ARG 1 1HH2 ARG 1 24.739 -17.237 -4.920
13 HH22 ARG 1 2HH2 ARG 1 25.379 -16.047 -3.837
14 H SER 2 H SER 2 22.911 -10.335 -7.121
15 HA SER 2 HA SER 2 20.222 -10.051 -7.840
16 HB2 SER 2 1HB SER 2 20.395 -7.795 -6.981
17 HB3 SER 2 2HB SER 2 21.346 -8.872 -5.964
18 HG SER 2 HG SER 2 22.125 -6.812 -7.619
19 H LEU 3 H LEU 3 23.117 -9.134 -9.591
20 HA LEU 3 HA LEU 3 22.054 -7.151 -11.270
21 HB2 LEU 3 1HB LEU 3 24.476 -7.693 -11.024
22 HB3 LEU 3 2HB LEU 3 24.204 -9.163 -11.960
23 HG LEU 3 HG LEU 3 23.254 -7.689 -13.797
24 HD11 LEU 3 1HD1 LEU 3 24.345 -5.592 -11.914
25 HD12 LEU 3 2HD1 LEU 3 22.740 -5.674 -12.638
26 HD13 LEU 3 3HD1 LEU 3 24.140 -5.282 -13.638
27 HD21 LEU 3 1HD2 LEU 3 25.468 -8.562 -14.085
28 HD22 LEU 3 2HD2 LEU 3 26.136 -7.439 -12.901
29 HD23 LEU 3 3HD2 LEU 3 25.570 -6.841 -14.461
30 H LEU 4 H LEU 4 21.971 -10.675 -11.510
31 HA LEU 4 HA LEU 4 21.244 -10.890 -14.216
32 HB2 LEU 4 1HB LEU 4 20.475 -12.708 -11.919
33 HB3 LEU 4 2HB LEU 4 20.434 -13.128 -13.631
34 HG LEU 4 HG LEU 4 22.930 -12.295 -12.122
35 HD11 LEU 4 1HD1 LEU 4 21.971 -14.522 -11.446
36 HD12 LEU 4 2HD1 LEU 4 23.562 -14.636 -12.199
37 HD13 LEU 4 3HD1 LEU 4 22.116 -15.038 -13.127
38 HD21 LEU 4 1HD2 LEU 4 22.350 -13.154 -14.957
39 HD22 LEU 4 2HD2 LEU 4 23.950 -13.378 -14.252
40 HD23 LEU 4 3HD2 LEU 4 23.270 -11.757 -14.400
41 H GLU 5 H GLU 5 19.279 -10.440 -11.311
42 HA GLU 5 HA GLU 5 16.761 -10.773 -12.593
43 HB2 GLU 5 1HB GLU 5 17.536 -9.379 -10.027
44 HB3 GLU 5 2HB GLU 5 15.869 -9.593 -10.560
45 HG2 GLU 5 1HG GLU 5 16.290 -11.431 -9.120
46 HG3 GLU 5 2HG GLU 5 16.402 -12.087 -10.747
47 H GLY 6 H GLY 6 18.864 -7.983 -12.104
48 HA2 GLY 6 1HA GLY 6 18.826 -6.107 -13.577
49 HA3 GLY 6 2HA GLY 6 17.139 -6.446 -13.925
50 H GLU 7 H GLU 7 16.943 -6.779 -10.772
51 HA GLU 7 HA GLU 7 16.371 -3.930 -10.321
52 HB2 GLU 7 1HB GLU 7 14.584 -5.643 -9.919
53 HB3 GLU 7 2HB GLU 7 15.582 -6.311 -8.627
54 HG2 GLU 7 1HG GLU 7 15.591 -4.079 -7.524
55 HG3 GLU 7 2HG GLU 7 14.513 -3.480 -8.777
56 H ILE 8 H ILE 8 17.215 -2.798 -8.577
57 HA ILE 8 HA ILE 8 19.787 -3.751 -7.673
58 HB ILE 8 HB ILE 8 19.485 -1.424 -8.400
59 HG12 ILE 8 1HG1 ILE 8 20.356 -0.318 -6.236
60 HG13 ILE 8 2HG1 ILE 8 20.234 -1.923 -5.520
61 HG21 ILE 8 1HG2 ILE 8 17.176 -1.063 -7.702
62 HG22 ILE 8 2HG2 ILE 8 18.213 0.145 -6.948
63 HG23 ILE 8 3HG2 ILE 8 17.635 -1.228 -6.007
64 HD11 ILE 8 1HD1 ILE 8 21.694 -2.834 -7.280
65 HD12 ILE 8 2HD1 ILE 8 22.499 -1.514 -6.433
66 HD13 ILE 8 3HD1 ILE 8 21.798 -1.240 -8.027
67 HA PRO 9 HA PRO 9 17.911 -5.056 -3.802
68 HB2 PRO 9 1HB PRO 9 20.152 -5.755 -2.405
69 HB3 PRO 9 2HB PRO 9 19.465 -6.747 -3.702
70 HG2 PRO 9 1HG PRO 9 21.896 -5.133 -3.680
71 HG3 PRO 9 2HG PRO 9 21.441 -6.481 -4.731
72 HD2 PRO 9 1HD PRO 9 21.348 -3.687 -5.343
73 HD3 PRO 9 2HD PRO 9 20.841 -5.039 -6.373
74 H PHE 10 H PHE 10 17.351 -2.695 -3.531
75 HA PHE 10 HA PHE 10 17.131 -0.900 -2.116
76 HB2 PHE 10 1HB PHE 10 18.649 -2.736 -0.272
77 HB3 PHE 10 2HB PHE 10 17.929 -1.215 0.219
78 HD1 PHE 10 HD1 PHE 10 15.364 -0.943 -0.302
79 HD2 PHE 10 HD2 PHE 10 17.424 -4.708 -0.114
80 HE1 PHE 10 HE1 PHE 10 13.206 -2.105 0.083
81 HE2 PHE 10 HE2 PHE 10 15.267 -5.870 0.272
82 HZ PHE 10 HZ PHE 10 13.157 -4.568 0.370
83 HA PRO 11 HA PRO 11 21.213 0.743 -3.549
84 HB2 PRO 11 1HB PRO 11 19.859 3.308 -2.878
85 HB3 PRO 11 2HB PRO 11 20.790 2.852 -4.312
86 HG2 PRO 11 1HG PRO 11 18.109 2.988 -4.308
87 HG3 PRO 11 2HG PRO 11 19.023 1.868 -5.331
88 HD2 PRO 11 1HD PRO 11 17.373 1.289 -2.945
89 HD3 PRO 11 2HD PRO 11 17.847 0.217 -4.279
90 HA PRO 12 HA PRO 12 21.647 3.175 0.787
91 HB2 PRO 12 1HB PRO 12 19.854 1.225 2.198
92 HB3 PRO 12 2HB PRO 12 20.221 2.915 2.595
93 HG2 PRO 12 1HG PRO 12 17.944 2.223 1.409
94 HG3 PRO 12 2HG PRO 12 18.773 3.744 1.034
95 HD2 PRO 12 1HD PRO 12 18.502 1.311 -0.625
96 HD3 PRO 12 2HD PRO 12 18.797 2.989 -1.118
97 H THR 13 H THR 13 20.820 -0.262 1.393
98 HA THR 13 HA THR 13 23.178 -0.823 2.803
99 HB THR 13 HB THR 13 21.205 -2.228 2.989
100 HG1 THR 13 HG1 THR 13 22.369 -3.982 3.233
101 HG21 THR 13 1HG2 THR 13 21.813 -2.961 0.110
102 HG22 THR 13 2HG2 THR 13 20.398 -2.080 0.688
103 HG23 THR 13 3HG2 THR 13 20.622 -3.774 1.126
104 H SER 14 H SER 14 22.857 -0.380 -0.567
105 HA SER 14 HA SER 14 24.742 -2.439 -1.378
106 HB2 SER 14 1HB SER 14 22.859 -1.750 -2.860
107 HB3 SER 14 2HB SER 14 23.571 -0.144 -2.971
108 HG SER 14 HG SER 14 24.724 -0.967 -4.522
109 H ILE 15 H ILE 15 24.610 1.103 -1.473
110 HA ILE 15 HA ILE 15 27.365 1.500 -1.982
111 HB ILE 15 HB ILE 15 25.646 3.253 -2.307
112 HG12 ILE 15 1HG1 ILE 15 27.006 5.104 -1.222
113 HG13 ILE 15 2HG1 ILE 15 27.973 3.837 -0.466
114 HG21 ILE 15 1HG2 ILE 15 25.615 3.292 0.723
115 HG22 ILE 15 2HG2 ILE 15 24.262 2.931 -0.350
116 HG23 ILE 15 3HG2 ILE 15 24.933 4.559 -0.295
117 HD11 ILE 15 1HD1 ILE 15 28.766 3.036 -2.540
118 HD12 ILE 15 2HD1 ILE 15 28.808 4.789 -2.723
119 HD13 ILE 15 3HD1 ILE 15 27.494 3.859 -3.443
120 H LEU 16 H LEU 16 25.524 0.986 0.996
121 HA LEU 16 HA LEU 16 27.630 1.535 2.816
122 HB2 LEU 16 1HB LEU 16 25.281 -0.360 3.010
123 HB3 LEU 16 2HB LEU 16 26.368 0.001 4.352
124 HG LEU 16 HG LEU 16 24.876 2.140 2.814
125 HD11 LEU 16 1HD1 LEU 16 23.105 1.006 3.832
126 HD12 LEU 16 2HD1 LEU 16 23.555 2.156 5.090
127 HD13 LEU 16 3HD1 LEU 16 24.095 0.480 5.194
128 HD21 LEU 16 1HD2 LEU 16 25.374 3.275 5.132
129 HD22 LEU 16 2HD2 LEU 16 26.658 3.172 3.927
130 HD23 LEU 16 3HD2 LEU 16 26.611 2.026 5.267
131 H LEU 17 H LEU 17 26.803 -1.333 0.920
132 HA LEU 17 HA LEU 17 28.542 -3.155 2.208
133 HB2 LEU 17 1HB LEU 17 26.726 -3.814 0.642
134 HB3 LEU 17 2HB LEU 17 27.665 -3.144 -0.691
135 HG LEU 17 HG LEU 17 29.548 -4.701 -0.018
136 HD11 LEU 17 1HD1 LEU 17 27.351 -5.692 1.805
137 HD12 LEU 17 2HD1 LEU 17 29.004 -5.252 2.232
138 HD13 LEU 17 3HD1 LEU 17 28.693 -6.725 1.315
139 HD21 LEU 17 1HD2 LEU 17 26.885 -5.915 -0.821
140 HD22 LEU 17 2HD2 LEU 17 28.450 -6.704 -1.020
141 HD23 LEU 17 3HD2 LEU 17 28.087 -5.225 -1.911
142 H LEU 18 H LEU 18 28.982 -1.087 -0.639
143 HA LEU 18 HA LEU 18 31.637 -1.821 -1.225
144 HB2 LEU 18 1HB LEU 18 30.026 0.667 -1.757
145 HB3 LEU 18 2HB LEU 18 31.725 0.564 -2.221
146 HG LEU 18 HG LEU 18 31.059 -1.688 -3.334
147 HD11 LEU 18 1HD1 LEU 18 28.380 -0.349 -2.905
148 HD12 LEU 18 2HD1 LEU 18 28.853 -1.986 -2.453
149 HD13 LEU 18 3HD1 LEU 18 28.647 -1.565 -4.154
150 HD21 LEU 18 1HD2 LEU 18 31.724 0.253 -4.636
151 HD22 LEU 18 2HD2 LEU 18 30.148 1.005 -4.391
152 HD23 LEU 18 3HD2 LEU 18 30.288 -0.448 -5.382
153 H LEU 19 H LEU 19 30.304 0.684 0.908
154 HA LEU 19 HA LEU 19 32.715 1.874 1.708
155 HB2 LEU 19 1HB LEU 19 30.446 2.745 2.246
156 HB3 LEU 19 2HB LEU 19 30.245 1.428 3.402
157 HG LEU 19 HG LEU 19 32.363 2.237 4.538
158 HD11 LEU 19 1HD1 LEU 19 33.437 3.553 2.896
159 HD12 LEU 19 2HD1 LEU 19 32.784 4.744 4.021
160 HD13 LEU 19 3HD1 LEU 19 31.955 4.421 2.498
161 HD21 LEU 19 1HD2 LEU 19 30.097 4.251 4.385
162 HD22 LEU 19 2HD2 LEU 19 31.218 4.033 5.729
163 HD23 LEU 19 3HD2 LEU 19 30.050 2.769 5.340
164 H ALA 20 H ALA 20 31.055 -1.024 2.881
165 HA ALA 20 HA ALA 20 32.641 -1.462 5.175
166 HB1 ALA 20 1HB ALA 20 30.517 -2.625 4.813
167 HB2 ALA 20 2HB ALA 20 31.822 -3.788 5.047
168 HB3 ALA 20 3HB ALA 20 31.202 -3.471 3.426
169 H CYS 21 H CYS 21 32.982 -2.617 1.834
170 HA CYS 21 HA CYS 21 35.161 -4.343 2.271
171 HB2 CYS 21 1HB CYS 21 34.391 -2.772 -0.200
172 HB3 CYS 21 2HB CYS 21 35.584 -4.070 -0.169
173 HG CYS 21 HG CYS 21 33.269 -5.131 -0.796
174 H ILE 22 H ILE 22 35.060 -0.921 1.328
175 HA ILE 22 HA ILE 22 37.828 -0.578 0.948
176 HB ILE 22 HB ILE 22 35.795 1.472 1.876
177 HG12 ILE 22 1HG1 ILE 22 36.767 0.818 -0.922
178 HG13 ILE 22 2HG1 ILE 22 35.237 0.248 -0.255
179 HG21 ILE 22 1HG2 ILE 22 37.351 3.106 0.900
180 HG22 ILE 22 2HG2 ILE 22 38.465 1.808 0.468
181 HG23 ILE 22 3HG2 ILE 22 38.160 2.181 2.166
182 HD11 ILE 22 1HD1 ILE 22 34.724 2.233 -1.489
183 HD12 ILE 22 2HD1 ILE 22 36.074 3.109 -0.768
184 HD13 ILE 22 3HD1 ILE 22 34.672 2.686 0.214
185 H PHE 23 H PHE 23 35.809 -0.191 3.840
186 HA PHE 23 HA PHE 23 37.779 0.873 5.539
187 HB2 PHE 23 1HB PHE 23 35.353 0.811 6.043
188 HB3 PHE 23 2HB PHE 23 35.462 -0.924 6.269
189 HD1 PHE 23 HD1 PHE 23 36.450 2.374 7.623
190 HD2 PHE 23 HD2 PHE 23 36.367 -1.868 8.293
191 HE1 PHE 23 HE1 PHE 23 37.054 2.737 10.001
192 HE2 PHE 23 HE2 PHE 23 36.971 -1.505 10.670
193 HZ PHE 23 HZ PHE 23 37.314 0.798 11.525
194 H LEU 24 H LEU 24 36.838 -2.486 4.890
195 HA LEU 24 HA LEU 24 38.423 -3.707 6.861
196 HB2 LEU 24 1HB LEU 24 36.609 -4.796 5.489
197 HB3 LEU 24 2HB LEU 24 37.756 -4.880 4.154
198 HG LEU 24 HG LEU 24 38.595 -5.943 6.832
199 HD11 LEU 24 1HD1 LEU 24 37.618 -8.134 6.299
200 HD12 LEU 24 2HD1 LEU 24 36.882 -7.463 4.843
201 HD13 LEU 24 3HD1 LEU 24 36.350 -6.915 6.433
202 HD21 LEU 24 1HD2 LEU 24 40.332 -6.064 5.268
203 HD22 LEU 24 2HD2 LEU 24 39.236 -6.404 3.930
204 HD23 LEU 24 3HD2 LEU 24 39.601 -7.661 5.112
205 H ILE 25 H ILE 25 39.149 -2.868 3.493
206 HA ILE 25 HA ILE 25 41.705 -4.073 3.398
207 HB ILE 25 HB ILE 25 40.691 -1.678 1.841
208 HG12 ILE 25 1HG1 ILE 25 40.698 -4.620 1.101
209 HG13 ILE 25 2HG1 ILE 25 39.280 -3.764 1.708
210 HG21 ILE 25 1HG2 ILE 25 43.163 -2.022 1.750
211 HG22 ILE 25 2HG2 ILE 25 42.386 -2.316 0.194
212 HG23 ILE 25 3HG2 ILE 25 42.886 -3.675 1.200
213 HD11 ILE 25 1HD1 ILE 25 40.781 -3.278 -0.869
214 HD12 ILE 25 2HD1 ILE 25 39.658 -2.094 -0.199
215 HD13 ILE 25 3HD1 ILE 25 39.080 -3.694 -0.663
216 H LYS 26 H LYS 26 40.705 -0.755 4.198
217 HA LYS 26 HA LYS 26 43.276 0.360 4.347
218 HB2 LYS 26 1HB LYS 26 41.153 1.658 4.264
219 HB3 LYS 26 2HB LYS 26 40.825 1.173 5.927
220 HG2 LYS 26 1HG LYS 26 41.832 3.319 6.095
221 HG3 LYS 26 2HG LYS 26 43.115 2.185 6.507
222 HD2 LYS 26 1HD LYS 26 44.010 2.321 4.233
223 HD3 LYS 26 2HD LYS 26 42.687 3.384 3.755
224 HE2 LYS 26 1HE LYS 26 43.434 5.052 5.426
225 HE3 LYS 26 2HE LYS 26 44.775 3.995 5.866
226 HZ1 LYS 26 1HZ LYS 26 45.412 5.716 4.261
227 HZ2 LYS 26 2HZ LYS 26 44.296 5.084 3.146
228 HZ3 LYS 26 3HZ LYS 26 45.629 4.152 3.639
229 H ILE 27 H ILE 27 41.289 -1.221 6.820
230 HA ILE 27 HA ILE 27 43.163 -0.671 8.923
231 HB ILE 27 HB ILE 27 41.744 -2.091 10.311
232 HG12 ILE 27 1HG1 ILE 27 40.175 -2.636 7.774
233 HG13 ILE 27 2HG1 ILE 27 41.263 -3.802 8.529
234 HG21 ILE 27 1HG2 ILE 27 39.847 -0.683 10.277
235 HG22 ILE 27 2HG2 ILE 27 39.929 -0.471 8.528
236 HG23 ILE 27 3HG2 ILE 27 41.124 0.306 9.567
237 HD11 ILE 27 1HD1 ILE 27 38.719 -2.636 9.670
238 HD12 ILE 27 2HD1 ILE 27 39.901 -3.486 10.665
239 HD13 ILE 27 3HD1 ILE 27 39.086 -4.331 9.349
240 H LEU 28 H LEU 28 42.643 -3.387 6.737
241 HA LEU 28 HA LEU 28 44.202 -5.294 8.095
242 HB2 LEU 28 1HB LEU 28 42.667 -5.419 5.923
243 HB3 LEU 28 2HB LEU 28 44.205 -5.187 5.105
244 HG LEU 28 HG LEU 28 43.759 -7.559 5.281
245 HD11 LEU 28 1HD1 LEU 28 45.776 -7.095 7.461
246 HD12 LEU 28 2HD1 LEU 28 46.118 -6.596 5.804
247 HD13 LEU 28 3HD1 LEU 28 45.797 -8.291 6.166
248 HD21 LEU 28 1HD2 LEU 28 43.203 -8.685 7.275
249 HD22 LEU 28 2HD2 LEU 28 42.250 -7.204 7.343
250 HD23 LEU 28 3HD2 LEU 28 43.733 -7.341 8.286
251 H ALA 29 H ALA 29 45.083 -2.809 5.721
252 HA ALA 29 HA ALA 29 47.759 -3.507 5.343
253 HB1 ALA 29 1HB ALA 29 48.101 -1.149 4.703
254 HB2 ALA 29 2HB ALA 29 46.531 -0.740 5.395
255 HB3 ALA 29 3HB ALA 29 46.626 -1.804 3.992
256 H ALA 30 H ALA 30 46.268 -1.493 7.859
257 HA ALA 30 HA ALA 30 48.688 -0.754 9.144
258 HB1 ALA 30 1HB ALA 30 46.040 -1.085 10.546
259 HB2 ALA 30 2HB ALA 30 46.348 0.261 9.448
260 HB3 ALA 30 3HB ALA 30 47.333 0.063 10.897
261 H SER 31 H SER 31 46.465 -3.479 9.568
262 HA SER 31 HA SER 31 47.531 -4.565 11.911
263 HB2 SER 31 1HB SER 31 46.398 -6.086 9.550
264 HB3 SER 31 2HB SER 31 46.532 -6.670 11.206
265 HG SER 31 HG SER 31 45.166 -4.884 11.797
266 H ALA 32 H ALA 32 48.585 -4.912 8.545
267 HA ALA 32 HA ALA 32 50.457 -6.978 8.939
268 HB1 ALA 32 1HB ALA 32 51.483 -6.161 6.838
269 HB2 ALA 32 2HB ALA 32 50.478 -4.715 6.928
270 HB3 ALA 32 3HB ALA 32 49.729 -6.296 6.709
271 H LEU 33 H LEU 33 50.823 -3.437 9.093
272 HA LEU 33 HA LEU 33 53.616 -3.391 9.429
273 HB2 LEU 33 1HB LEU 33 52.208 -1.409 8.885
274 HB3 LEU 33 2HB LEU 33 51.601 -1.425 10.541
275 HG LEU 33 HG LEU 33 54.010 -1.271 11.318
276 HD11 LEU 33 1HD1 LEU 33 55.320 -1.944 9.499
277 HD12 LEU 33 2HD1 LEU 33 55.465 -0.189 9.422
278 HD13 LEU 33 3HD1 LEU 33 54.355 -1.030 8.340
279 HD21 LEU 33 1HD2 LEU 33 52.675 0.895 9.692
280 HD22 LEU 33 2HD2 LEU 33 54.198 1.191 10.532
281 HD23 LEU 33 3HD2 LEU 33 52.761 0.736 11.447
282 H TRP 34 H TRP 34 50.983 -3.611 11.789
283 HA TRP 34 HA TRP 34 52.593 -3.396 14.106
284 HB2 TRP 34 1HB TRP 34 49.906 -4.686 13.651
285 HB3 TRP 34 2HB TRP 34 50.645 -4.521 15.232
286 HD1 TRP 34 HD1 TRP 34 48.487 -2.760 12.811
287 HE1 TRP 34 HE1 TRP 34 48.050 -0.341 13.582
288 HE3 TRP 34 HE3 TRP 34 51.983 -2.370 16.512
289 HZ2 TRP 34 HZ2 TRP 34 49.052 1.519 15.517
290 HZ3 TRP 34 HZ3 TRP 34 52.221 -0.270 17.800
291 HH2 TRP 34 HH2 TRP 34 50.764 1.673 17.310
292 H ALA 35 H ALA 35 51.437 -6.231 12.299
293 HA ALA 35 HA ALA 35 52.380 -8.189 14.084
294 HB1 ALA 35 1HB ALA 35 51.954 -8.342 11.093
295 HB2 ALA 35 2HB ALA 35 50.765 -8.717 12.341
296 HB3 ALA 35 3HB ALA 35 52.195 -9.732 12.151
297 H ALA 36 H ALA 36 53.937 -6.599 11.330
298 HA ALA 36 HA ALA 36 56.237 -8.197 11.178
299 HB1 ALA 36 1HB ALA 36 55.365 -6.215 9.669
300 HB2 ALA 36 2HB ALA 36 57.088 -6.579 9.760
301 HB3 ALA 36 3HB ALA 36 56.418 -5.249 10.703
302 H ALA 37 H ALA 37 55.491 -5.393 13.205
303 HA ALA 37 HA ALA 37 58.064 -5.086 14.350
304 HB1 ALA 37 1HB ALA 37 55.903 -3.572 14.459
305 HB2 ALA 37 2HB ALA 37 57.076 -3.553 15.774
306 HB3 ALA 37 3HB ALA 37 55.593 -4.494 15.930
307 H TRP 38 H TRP 38 55.234 -7.004 15.295
308 HA TRP 38 HA TRP 38 56.738 -8.172 17.525
309 HB2 TRP 38 1HB TRP 38 53.853 -8.455 16.703
310 HB3 TRP 38 2HB TRP 38 54.574 -9.230 18.100
311 HD1 TRP 38 HD1 TRP 38 52.887 -6.129 17.009
312 HE1 TRP 38 HE1 TRP 38 52.929 -4.370 18.891
313 HE3 TRP 38 HE3 TRP 38 56.274 -8.291 20.159
314 HZ2 TRP 38 HZ2 TRP 38 54.230 -3.935 21.406
315 HZ3 TRP 38 HZ3 TRP 38 56.897 -7.187 22.285
316 HH2 TRP 38 HH2 TRP 38 55.882 -5.016 22.914
317 H HIS 39 H HIS 39 57.021 -8.846 14.461
318 HA HIS 39 HA HIS 39 56.330 -11.683 14.492
319 HB2 HIS 39 1HB HIS 39 55.942 -10.397 12.449
320 HB3 HIS 39 2HB HIS 39 57.637 -9.958 12.383
321 HD1 HIS 39 HD1 HIS 39 59.298 -12.186 12.205
322 HD2 HIS 39 HD2 HIS 39 55.344 -12.625 10.960
323 HE1 HIS 39 HE1 HIS 39 59.236 -14.245 10.734
324 H GLY 40 H GLY 40 57.745 -13.320 14.758
325 HA2 GLY 40 1HA GLY 40 60.577 -13.033 14.421
326 HA3 GLY 40 2HA GLY 40 60.119 -13.061 16.121
327 H GLN 41 H GLN 41 59.825 -14.978 17.080
328 HA GLN 41 HA GLN 41 60.603 -17.367 15.841
329 HB2 GLN 41 1HB GLN 41 58.992 -16.915 18.362
330 HB3 GLN 41 2HB GLN 41 59.683 -18.466 17.883
331 HG2 GLN 41 1HG GLN 41 61.933 -17.512 17.911
332 HG3 GLN 41 2HG GLN 41 61.279 -15.923 18.295
333 HE21 GLN 41 1HE2 GLN 41 63.166 -17.215 20.017
334 HE22 GLN 41 2HE2 GLN 41 62.381 -17.603 21.472
335 H LYS 42 H LYS 42 57.392 -15.960 16.303
336 HA LYS 42 HA LYS 42 55.861 -18.242 15.740
337 HB2 LYS 42 1HB LYS 42 54.055 -16.648 15.161
338 HB3 LYS 42 2HB LYS 42 54.866 -16.216 16.667
339 HG2 LYS 42 1HG LYS 42 56.342 -14.666 15.296
340 HG3 LYS 42 2HG LYS 42 55.251 -14.958 13.941
341 HD2 LYS 42 1HD LYS 42 54.361 -13.918 16.645
342 HD3 LYS 42 2HD LYS 42 54.673 -12.895 15.243
343 HE2 LYS 42 1HE LYS 42 53.003 -14.434 14.000
344 HE3 LYS 42 2HE LYS 42 52.513 -14.968 15.607
345 HZ1 LYS 42 1HZ LYS 42 51.223 -13.060 14.672
346 HZ2 LYS 42 2HZ LYS 42 52.628 -12.115 14.811
347 HZ3 LYS 42 3HZ LYS 42 51.906 -12.778 16.198
348 HA PRO 43 HA PRO 43 56.543 -18.507 11.354
349 HB2 PRO 43 1HB PRO 43 54.670 -20.305 10.644
350 HB3 PRO 43 2HB PRO 43 56.018 -20.747 11.711
351 HG2 PRO 43 1HG PRO 43 53.178 -20.265 12.362
352 HG3 PRO 43 2HG PRO 43 54.350 -21.348 13.129
353 HD2 PRO 43 1HD PRO 43 53.574 -18.780 14.052
354 HD3 PRO 43 2HD PRO 43 54.907 -19.776 14.672
355 H GLY 44 H GLY 44 55.974 -16.367 10.673
356 HA2 GLY 44 1HA GLY 44 54.845 -15.066 9.101
357 HA3 GLY 44 2HA GLY 44 53.571 -16.280 9.048
358 H THR 45 H THR 45 52.086 -14.463 9.098
359 HA THR 45 HA THR 45 51.719 -13.340 11.820
360 HB THR 45 HB THR 45 50.665 -11.405 10.775
361 HG1 THR 45 HG1 THR 45 51.097 -12.942 8.461
362 HG21 THR 45 1HG2 THR 45 53.216 -11.613 11.034
363 HG22 THR 45 2HG2 THR 45 52.624 -10.372 9.930
364 HG23 THR 45 3HG2 THR 45 53.248 -11.893 9.293
365 H HIS 46 H HIS 46 49.455 -12.883 12.385
366 HA HIS 46 HA HIS 46 47.815 -15.135 12.132
367 HB2 HIS 46 1HB HIS 46 47.059 -12.292 12.815
368 HB3 HIS 46 2HB HIS 46 46.027 -13.688 13.057
369 HD1 HIS 46 HD1 HIS 46 49.005 -11.916 14.450
370 HD2 HIS 46 HD2 HIS 46 46.799 -15.360 15.254
371 HE1 HIS 46 HE1 HIS 46 49.735 -12.713 16.738
Start of MODEL 15
1 H ARG 1 3H ARG 1 20.627 19.225 -17.612
2 HA ARG 1 HA ARG 1 21.809 17.424 -17.042
3 HB2 ARG 1 1HB ARG 1 22.251 19.209 -14.629
4 HB3 ARG 1 2HB ARG 1 23.311 17.885 -15.116
5 HG2 ARG 1 1HG ARG 1 23.643 19.005 -17.318
6 HG3 ARG 1 2HG ARG 1 22.674 20.363 -16.744
7 HD2 ARG 1 1HD ARG 1 24.287 20.596 -14.820
8 HD3 ARG 1 2HD ARG 1 25.302 19.387 -15.601
9 HE ARG 1 HE ARG 1 24.608 21.591 -17.331
10 HH11 ARG 1 1HH1 ARG 1 26.899 20.508 -14.900
11 HH12 ARG 1 2HH1 ARG 1 28.136 21.595 -15.439
12 HH21 ARG 1 1HH2 ARG 1 26.240 22.967 -17.979
13 HH22 ARG 1 2HH2 ARG 1 27.766 22.969 -17.160
14 H SER 2 H SER 2 22.379 15.801 -15.232
15 HA SER 2 HA SER 2 20.067 14.443 -14.452
16 HB2 SER 2 1HB SER 2 22.818 14.235 -13.211
17 HB3 SER 2 2HB SER 2 21.537 13.031 -13.119
18 HG SER 2 HG SER 2 23.160 12.715 -14.808
19 H LEU 3 H LEU 3 21.881 16.935 -12.756
20 HA LEU 3 HA LEU 3 21.026 16.494 -10.137
21 HB2 LEU 3 1HB LEU 3 22.748 18.155 -10.834
22 HB3 LEU 3 2HB LEU 3 21.458 19.180 -11.464
23 HG LEU 3 HG LEU 3 20.416 19.102 -9.147
24 HD11 LEU 3 1HD1 LEU 3 23.040 17.704 -8.637
25 HD12 LEU 3 2HD1 LEU 3 21.422 17.231 -8.118
26 HD13 LEU 3 3HD1 LEU 3 22.226 18.602 -7.355
27 HD21 LEU 3 1HD2 LEU 3 23.156 20.316 -9.588
28 HD22 LEU 3 2HD2 LEU 3 22.149 20.698 -8.191
29 HD23 LEU 3 3HD2 LEU 3 21.588 21.092 -9.815
30 H LEU 4 H LEU 4 19.412 18.185 -12.800
31 HA LEU 4 HA LEU 4 17.263 19.247 -11.310
32 HB2 LEU 4 1HB LEU 4 17.565 18.511 -14.218
33 HB3 LEU 4 2HB LEU 4 16.075 19.199 -13.575
34 HG LEU 4 HG LEU 4 17.614 21.033 -12.565
35 HD11 LEU 4 1HD1 LEU 4 19.590 21.344 -14.273
36 HD12 LEU 4 2HD1 LEU 4 19.422 19.602 -14.491
37 HD13 LEU 4 3HD1 LEU 4 19.792 20.260 -12.898
38 HD21 LEU 4 1HD2 LEU 4 17.338 20.922 -15.581
39 HD22 LEU 4 2HD2 LEU 4 17.371 22.363 -14.565
40 HD23 LEU 4 3HD2 LEU 4 15.992 21.266 -14.495
41 H GLU 5 H GLU 5 17.734 16.099 -12.851
42 HA GLU 5 HA GLU 5 15.111 15.122 -12.621
43 HB2 GLU 5 1HB GLU 5 16.955 14.046 -13.920
44 HB3 GLU 5 2HB GLU 5 17.662 13.515 -12.394
45 HG2 GLU 5 1HG GLU 5 15.533 12.344 -11.851
46 HG3 GLU 5 2HG GLU 5 14.901 12.812 -13.424
47 H GLY 6 H GLY 6 17.748 15.256 -10.274
48 HA2 GLY 6 1HA GLY 6 17.597 15.182 -7.953
49 HA3 GLY 6 2HA GLY 6 15.878 14.829 -8.105
50 H GLU 7 H GLU 7 18.536 13.049 -9.618
51 HA GLU 7 HA GLU 7 17.560 10.512 -8.955
52 HB2 GLU 7 1HB GLU 7 20.403 11.375 -9.540
53 HB3 GLU 7 2HB GLU 7 19.834 9.705 -9.531
54 HG2 GLU 7 1HG GLU 7 18.174 10.293 -11.290
55 HG3 GLU 7 2HG GLU 7 18.832 11.923 -11.337
56 H ILE 8 H ILE 8 18.025 9.056 -7.327
57 HA ILE 8 HA ILE 8 18.683 10.175 -4.769
58 HB ILE 8 HB ILE 8 18.414 7.851 -3.956
59 HG12 ILE 8 1HG1 ILE 8 17.925 7.167 -6.871
60 HG13 ILE 8 2HG1 ILE 8 19.418 6.789 -6.011
61 HG21 ILE 8 1HG2 ILE 8 16.275 8.609 -5.966
62 HG22 ILE 8 2HG2 ILE 8 16.450 9.363 -4.382
63 HG23 ILE 8 3HG2 ILE 8 16.061 7.647 -4.503
64 HD11 ILE 8 1HD1 ILE 8 17.871 5.646 -4.267
65 HD12 ILE 8 2HD1 ILE 8 18.154 4.812 -5.795
66 HD13 ILE 8 3HD1 ILE 8 16.649 5.697 -5.538
67 HA PRO 9 HA PRO 9 23.020 9.298 -4.901
68 HB2 PRO 9 1HB PRO 9 23.678 9.119 -2.280
69 HB3 PRO 9 2HB PRO 9 23.184 10.652 -3.027
70 HG2 PRO 9 1HG PRO 9 21.640 8.814 -1.287
71 HG3 PRO 9 2HG PRO 9 21.615 10.584 -1.372
72 HD2 PRO 9 1HD PRO 9 19.721 8.915 -2.546
73 HD3 PRO 9 2HD PRO 9 20.019 10.604 -3.008
74 H PHE 10 H PHE 10 22.443 7.152 -5.889
75 HA PHE 10 HA PHE 10 22.810 4.902 -6.097
76 HB2 PHE 10 1HB PHE 10 24.595 5.455 -3.728
77 HB3 PHE 10 2HB PHE 10 24.555 3.929 -4.589
78 HD1 PHE 10 HD1 PHE 10 25.342 3.806 -6.950
79 HD2 PHE 10 HD2 PHE 10 25.704 7.387 -4.607
80 HE1 PHE 10 HE1 PHE 10 26.994 4.699 -8.570
81 HE2 PHE 10 HE2 PHE 10 27.355 8.281 -6.226
82 HZ PHE 10 HZ PHE 10 28.001 6.937 -8.208
83 HA PRO 11 HA PRO 11 20.056 2.805 -3.358
84 HB2 PRO 11 1HB PRO 11 21.519 0.266 -3.382
85 HB3 PRO 11 2HB PRO 11 19.974 0.680 -4.143
86 HG2 PRO 11 1HG PRO 11 22.247 0.206 -5.528
87 HG3 PRO 11 2HG PRO 11 20.945 1.261 -6.104
88 HD2 PRO 11 1HD PRO 11 23.579 2.019 -4.892
89 HD3 PRO 11 2HD PRO 11 22.666 2.810 -6.197
90 HA PRO 12 HA PRO 12 21.663 3.146 0.729
91 HB2 PRO 12 1HB PRO 12 20.122 1.315 2.140
92 HB3 PRO 12 2HB PRO 12 19.609 2.956 1.707
93 HG2 PRO 12 1HG PRO 12 18.970 0.371 0.394
94 HG3 PRO 12 2HG PRO 12 17.944 1.792 0.660
95 HD2 PRO 12 1HD PRO 12 19.033 1.269 -1.758
96 HD3 PRO 12 2HD PRO 12 18.798 2.933 -1.177
97 H THR 13 H THR 13 20.826 -0.325 0.482
98 HA THR 13 HA THR 13 22.987 -1.216 2.031
99 HB THR 13 HB THR 13 22.466 -3.445 1.163
100 HG1 THR 13 HG1 THR 13 21.113 -3.684 -0.546
101 HG21 THR 13 1HG2 THR 13 20.095 -3.498 1.808
102 HG22 THR 13 2HG2 THR 13 19.995 -1.748 1.611
103 HG23 THR 13 3HG2 THR 13 21.006 -2.436 2.883
104 H SER 14 H SER 14 23.127 -0.001 -1.154
105 HA SER 14 HA SER 14 25.157 -1.853 -2.125
106 HB2 SER 14 1HB SER 14 24.020 0.680 -3.338
107 HB3 SER 14 2HB SER 14 25.159 -0.401 -4.134
108 HG SER 14 HG SER 14 23.366 -1.348 -4.749
109 H ILE 15 H ILE 15 24.880 1.576 -1.294
110 HA ILE 15 HA ILE 15 27.686 2.086 -1.370
111 HB ILE 15 HB ILE 15 27.152 4.176 -0.216
112 HG12 ILE 15 1HG1 ILE 15 24.294 3.170 -0.082
113 HG13 ILE 15 2HG1 ILE 15 25.391 3.141 1.296
114 HG21 ILE 15 1HG2 ILE 15 26.650 3.705 -2.705
115 HG22 ILE 15 2HG2 ILE 15 25.890 5.122 -1.979
116 HG23 ILE 15 3HG2 ILE 15 24.957 3.645 -2.216
117 HD11 ILE 15 1HD1 ILE 15 25.377 5.428 1.545
118 HD12 ILE 15 2HD1 ILE 15 23.765 5.206 0.869
119 HD13 ILE 15 3HD1 ILE 15 25.089 5.731 -0.167
120 H LEU 16 H LEU 16 25.467 0.880 1.099
121 HA LEU 16 HA LEU 16 27.235 1.046 3.312
122 HB2 LEU 16 1HB LEU 16 24.803 0.497 3.470
123 HB3 LEU 16 2HB LEU 16 25.151 -1.084 2.770
124 HG LEU 16 HG LEU 16 26.826 -1.415 4.660
125 HD11 LEU 16 1HD1 LEU 16 26.161 0.037 6.706
126 HD12 LEU 16 2HD1 LEU 16 25.486 1.147 5.515
127 HD13 LEU 16 3HD1 LEU 16 27.207 0.761 5.485
128 HD21 LEU 16 1HD2 LEU 16 24.604 -2.483 4.658
129 HD22 LEU 16 2HD2 LEU 16 23.902 -1.035 5.380
130 HD23 LEU 16 3HD2 LEU 16 25.060 -2.003 6.292
131 H LEU 17 H LEU 17 26.815 -1.360 0.749
132 HA LEU 17 HA LEU 17 28.483 -3.356 1.901
133 HB2 LEU 17 1HB LEU 17 26.821 -3.775 0.089
134 HB3 LEU 17 2HB LEU 17 27.867 -2.899 -1.030
135 HG LEU 17 HG LEU 17 29.717 -4.524 -0.386
136 HD11 LEU 17 1HD1 LEU 17 28.947 -5.458 1.651
137 HD12 LEU 17 2HD1 LEU 17 28.727 -6.750 0.473
138 HD13 LEU 17 3HD1 LEU 17 27.345 -5.786 0.992
139 HD21 LEU 17 1HD2 LEU 17 28.681 -4.835 -2.510
140 HD22 LEU 17 2HD2 LEU 17 27.187 -5.420 -1.779
141 HD23 LEU 17 3HD2 LEU 17 28.638 -6.422 -1.741
142 H LEU 18 H LEU 18 29.069 -0.803 -0.480
143 HA LEU 18 HA LEU 18 31.771 -1.396 -1.011
144 HB2 LEU 18 1HB LEU 18 30.364 0.161 -2.359
145 HB3 LEU 18 2HB LEU 18 30.445 1.327 -1.038
146 HG LEU 18 HG LEU 18 32.976 1.183 -1.215
147 HD11 LEU 18 1HD1 LEU 18 33.276 -0.871 -2.398
148 HD12 LEU 18 2HD1 LEU 18 33.742 0.401 -3.526
149 HD13 LEU 18 3HD1 LEU 18 32.167 -0.377 -3.677
150 HD21 LEU 18 1HD2 LEU 18 33.061 2.677 -3.179
151 HD22 LEU 18 2HD2 LEU 18 31.672 3.061 -2.162
152 HD23 LEU 18 3HD2 LEU 18 31.447 2.149 -3.655
153 H LEU 19 H LEU 19 30.235 0.682 1.423
154 HA LEU 19 HA LEU 19 32.562 1.788 2.537
155 HB2 LEU 19 1HB LEU 19 30.237 2.531 3.042
156 HB3 LEU 19 2HB LEU 19 30.004 1.061 3.986
157 HG LEU 19 HG LEU 19 32.047 1.754 5.343
158 HD11 LEU 19 1HD1 LEU 19 32.345 4.335 5.231
159 HD12 LEU 19 2HD1 LEU 19 31.633 4.194 3.624
160 HD13 LEU 19 3HD1 LEU 19 33.136 3.352 4.000
161 HD21 LEU 19 1HD2 LEU 19 30.751 3.442 6.652
162 HD22 LEU 19 2HD2 LEU 19 29.783 2.032 6.221
163 HD23 LEU 19 3HD2 LEU 19 29.593 3.539 5.325
164 H ALA 20 H ALA 20 30.923 -1.293 3.143
165 HA ALA 20 HA ALA 20 32.350 -1.951 5.507
166 HB1 ALA 20 1HB ALA 20 30.361 -3.163 5.155
167 HB2 ALA 20 2HB ALA 20 31.637 -4.340 4.843
168 HB3 ALA 20 3HB ALA 20 30.798 -3.571 3.497
169 H CYS 21 H CYS 21 32.803 -2.986 2.123
170 HA CYS 21 HA CYS 21 34.973 -4.712 2.714
171 HB2 CYS 21 1HB CYS 21 35.395 -4.637 0.245
172 HB3 CYS 21 2HB CYS 21 33.740 -5.056 0.682
173 HG CYS 21 HG CYS 21 33.456 -3.210 -1.075
174 H ILE 22 H ILE 22 34.890 -1.370 1.458
175 HA ILE 22 HA ILE 22 37.674 -1.218 0.998
176 HB ILE 22 HB ILE 22 37.345 1.209 0.853
177 HG12 ILE 22 1HG1 ILE 22 34.691 1.754 1.069
178 HG13 ILE 22 2HG1 ILE 22 34.826 0.512 2.307
179 HG21 ILE 22 1HG2 ILE 22 36.808 -0.134 -1.081
180 HG22 ILE 22 2HG2 ILE 22 35.582 1.126 -0.934
181 HG23 ILE 22 3HG2 ILE 22 35.217 -0.523 -0.428
182 HD11 ILE 22 1HD1 ILE 22 35.365 2.332 3.594
183 HD12 ILE 22 2HD1 ILE 22 35.987 3.250 2.223
184 HD13 ILE 22 3HD1 ILE 22 36.978 1.997 2.966
185 H PHE 23 H PHE 23 35.697 -0.382 3.840
186 HA PHE 23 HA PHE 23 37.698 0.947 5.294
187 HB2 PHE 23 1HB PHE 23 35.288 0.924 5.883
188 HB3 PHE 23 2HB PHE 23 35.442 -0.758 6.356
189 HD1 PHE 23 HD1 PHE 23 36.608 -1.386 8.412
190 HD2 PHE 23 HD2 PHE 23 36.227 2.726 7.230
191 HE1 PHE 23 HE1 PHE 23 37.283 -0.670 10.688
192 HE2 PHE 23 HE2 PHE 23 36.901 3.443 9.506
193 HZ PHE 23 HZ PHE 23 37.429 1.745 11.235
194 H LEU 24 H LEU 24 36.752 -2.480 5.231
195 HA LEU 24 HA LEU 24 38.457 -3.352 7.288
196 HB2 LEU 24 1HB LEU 24 37.456 -4.851 4.854
197 HB3 LEU 24 2HB LEU 24 38.209 -5.601 6.263
198 HG LEU 24 HG LEU 24 35.735 -3.859 6.414
199 HD11 LEU 24 1HD1 LEU 24 34.615 -6.121 6.853
200 HD12 LEU 24 2HD1 LEU 24 36.069 -6.856 6.177
201 HD13 LEU 24 3HD1 LEU 24 35.074 -5.793 5.183
202 HD21 LEU 24 1HD2 LEU 24 37.290 -5.573 8.351
203 HD22 LEU 24 2HD2 LEU 24 35.591 -5.196 8.633
204 HD23 LEU 24 3HD2 LEU 24 36.778 -3.895 8.536
205 H ILE 25 H ILE 25 39.005 -3.060 3.797
206 HA ILE 25 HA ILE 25 41.510 -4.366 3.752
207 HB ILE 25 HB ILE 25 40.447 -2.224 1.890
208 HG12 ILE 25 1HG1 ILE 25 40.404 -5.239 1.598
209 HG13 ILE 25 2HG1 ILE 25 39.038 -4.310 2.214
210 HG21 ILE 25 1HG2 ILE 25 42.923 -2.658 1.737
211 HG22 ILE 25 2HG2 ILE 25 42.040 -3.098 0.275
212 HG23 ILE 25 3HG2 ILE 25 42.557 -4.351 1.404
213 HD11 ILE 25 1HD1 ILE 25 38.708 -4.653 -0.164
214 HD12 ILE 25 2HD1 ILE 25 40.327 -4.047 -0.516
215 HD13 ILE 25 3HD1 ILE 25 39.090 -2.951 0.100
216 H LYS 26 H LYS 26 40.676 -0.920 4.081
217 HA LYS 26 HA LYS 26 43.304 0.068 3.886
218 HB2 LYS 26 1HB LYS 26 40.897 1.218 5.308
219 HB3 LYS 26 2HB LYS 26 42.397 2.097 5.013
220 HG2 LYS 26 1HG LYS 26 42.107 1.598 2.556
221 HG3 LYS 26 2HG LYS 26 40.507 0.967 2.935
222 HD2 LYS 26 1HD LYS 26 41.441 3.767 3.623
223 HD3 LYS 26 2HD LYS 26 40.464 3.362 2.211
224 HE2 LYS 26 1HE LYS 26 38.867 2.232 3.937
225 HE3 LYS 26 2HE LYS 26 39.712 3.229 5.121
226 HZ1 LYS 26 1HZ LYS 26 39.106 5.189 3.951
227 HZ2 LYS 26 2HZ LYS 26 37.692 4.268 4.152
228 HZ3 LYS 26 3HZ LYS 26 38.479 4.302 2.646
229 H ILE 27 H ILE 27 41.425 -0.973 6.707
230 HA ILE 27 HA ILE 27 43.348 -0.129 8.627
231 HB ILE 27 HB ILE 27 41.246 -2.288 8.890
232 HG12 ILE 27 1HG1 ILE 27 40.242 -0.167 8.202
233 HG13 ILE 27 2HG1 ILE 27 39.861 -0.494 9.886
234 HG21 ILE 27 1HG2 ILE 27 42.676 -2.521 10.747
235 HG22 ILE 27 2HG2 ILE 27 41.392 -1.469 11.340
236 HG23 ILE 27 3HG2 ILE 27 42.948 -0.783 10.870
237 HD11 ILE 27 1HD1 ILE 27 40.610 1.589 10.317
238 HD12 ILE 27 2HD1 ILE 27 41.323 1.740 8.714
239 HD13 ILE 27 3HD1 ILE 27 42.238 0.985 10.014
240 H LEU 28 H LEU 28 42.750 -3.297 7.102
241 HA LEU 28 HA LEU 28 44.597 -4.734 8.671
242 HB2 LEU 28 1HB LEU 28 43.586 -5.277 5.872
243 HB3 LEU 28 2HB LEU 28 44.465 -6.436 6.869
244 HG LEU 28 HG LEU 28 41.879 -5.110 7.726
245 HD11 LEU 28 1HD1 LEU 28 42.410 -7.791 6.416
246 HD12 LEU 28 2HD1 LEU 28 41.363 -6.500 5.826
247 HD13 LEU 28 3HD1 LEU 28 40.914 -7.409 7.268
248 HD21 LEU 28 1HD2 LEU 28 41.957 -7.204 9.264
249 HD22 LEU 28 2HD2 LEU 28 43.021 -5.853 9.655
250 HD23 LEU 28 3HD2 LEU 28 43.666 -7.274 8.833
251 H ALA 29 H ALA 29 44.981 -3.045 5.575
252 HA ALA 29 HA ALA 29 47.595 -4.028 5.046
253 HB1 ALA 29 1HB ALA 29 47.664 -1.952 3.515
254 HB2 ALA 29 2HB ALA 29 45.991 -1.701 4.014
255 HB3 ALA 29 3HB ALA 29 46.449 -3.185 3.178
256 H ALA 30 H ALA 30 46.510 -0.832 6.220
257 HA ALA 30 HA ALA 30 48.368 -0.494 8.246
258 HB1 ALA 30 1HB ALA 30 50.235 -0.539 6.802
259 HB2 ALA 30 2HB ALA 30 49.924 1.180 7.045
260 HB3 ALA 30 3HB ALA 30 49.403 0.393 5.556
261 H SER 31 H SER 31 46.470 0.491 9.060
262 HA SER 31 HA SER 31 44.991 2.504 7.811
263 HB2 SER 31 1HB SER 31 44.093 2.998 10.000
264 HB3 SER 31 2HB SER 31 44.319 1.257 9.871
265 HG SER 31 HG SER 31 45.587 1.432 11.533
266 H ALA 32 H ALA 32 47.935 2.724 9.763
267 HA ALA 32 HA ALA 32 47.867 5.510 10.211
268 HB1 ALA 32 1HB ALA 32 49.324 3.913 11.440
269 HB2 ALA 32 2HB ALA 32 50.213 5.295 10.799
270 HB3 ALA 32 3HB ALA 32 50.305 3.732 9.986
271 H LEU 33 H LEU 33 49.766 3.661 7.801
272 HA LEU 33 HA LEU 33 50.915 5.918 6.580
273 HB2 LEU 33 1HB LEU 33 50.336 3.211 5.353
274 HB3 LEU 33 2HB LEU 33 51.477 4.405 4.736
275 HG LEU 33 HG LEU 33 51.646 3.123 7.480
276 HD11 LEU 33 1HD1 LEU 33 53.567 1.889 6.531
277 HD12 LEU 33 2HD1 LEU 33 53.244 2.606 4.952
278 HD13 LEU 33 3HD1 LEU 33 52.077 1.498 5.674
279 HD21 LEU 33 1HD2 LEU 33 52.742 5.215 7.605
280 HD22 LEU 33 2HD2 LEU 33 53.335 5.102 5.949
281 HD23 LEU 33 3HD2 LEU 33 54.042 4.091 7.209
282 H TRP 34 H TRP 34 47.887 4.216 5.932
283 HA TRP 34 HA TRP 34 47.341 5.413 3.430
284 HB2 TRP 34 1HB TRP 34 46.259 3.363 4.518
285 HB3 TRP 34 2HB TRP 34 45.259 4.502 5.399
286 HD1 TRP 34 HD1 TRP 34 43.272 5.598 4.141
287 HE1 TRP 34 HE1 TRP 34 42.251 5.267 1.798
288 HE3 TRP 34 HE3 TRP 34 46.945 2.797 1.966
289 HZ2 TRP 34 HZ2 TRP 34 42.907 3.984 -0.678
290 HZ3 TRP 34 HZ3 TRP 34 46.724 2.036 -0.378
291 HH2 TRP 34 HH2 TRP 34 44.714 2.623 -1.704
292 H ALA 35 H ALA 35 46.282 6.259 6.724
293 HA ALA 35 HA ALA 35 44.627 8.418 5.963
294 HB1 ALA 35 1HB ALA 35 44.291 7.519 8.126
295 HB2 ALA 35 2HB ALA 35 44.973 9.125 8.394
296 HB3 ALA 35 3HB ALA 35 45.994 7.695 8.550
297 H ALA 36 H ALA 36 48.051 8.272 6.863
298 HA ALA 36 HA ALA 36 48.520 11.028 7.094
299 HB1 ALA 36 1HB ALA 36 50.503 8.999 6.059
300 HB2 ALA 36 2HB ALA 36 50.079 9.152 7.763
301 HB3 ALA 36 3HB ALA 36 50.846 10.498 6.921
302 H ALA 37 H ALA 37 48.471 8.921 4.259
303 HA ALA 37 HA ALA 37 49.648 10.714 2.423
304 HB1 ALA 37 1HB ALA 37 48.717 9.308 0.699
305 HB2 ALA 37 2HB ALA 37 47.532 8.638 1.822
306 HB3 ALA 37 3HB ALA 37 49.245 8.272 2.026
307 H TRP 38 H TRP 38 46.290 10.253 3.450
308 HA TRP 38 HA TRP 38 45.072 11.965 1.578
309 HB2 TRP 38 1HB TRP 38 44.295 11.117 4.357
310 HB3 TRP 38 2HB TRP 38 43.288 12.175 3.388
311 HD1 TRP 38 HD1 TRP 38 43.927 8.630 4.100
312 HE1 TRP 38 HE1 TRP 38 42.701 7.124 2.407
313 HE3 TRP 38 HE3 TRP 38 42.639 12.110 0.591
314 HZ2 TRP 38 HZ2 TRP 38 41.353 7.360 -0.109
315 HZ3 TRP 38 HZ3 TRP 38 41.390 11.444 -1.439
316 HH2 TRP 38 HH2 TRP 38 40.745 9.078 -1.795
317 H HIS 39 H HIS 39 46.678 12.649 4.643
318 HA HIS 39 HA HIS 39 45.850 15.470 4.468
319 HB2 HIS 39 1HB HIS 39 47.165 13.932 6.708
320 HB3 HIS 39 2HB HIS 39 46.720 15.627 6.773
321 HD1 HIS 39 HD1 HIS 39 43.996 16.014 6.292
322 HD2 HIS 39 HD2 HIS 39 45.208 12.275 7.682
323 HE1 HIS 39 HE1 HIS 39 41.931 14.900 7.239
324 H GLY 40 H GLY 40 47.271 17.107 4.203
325 HA2 GLY 40 1HA GLY 40 50.066 16.962 4.600
326 HA3 GLY 40 2HA GLY 40 49.709 16.708 2.894
327 H GLN 41 H GLN 41 50.470 19.015 5.117
328 HA GLN 41 HA GLN 41 49.053 21.171 3.658
329 HB2 GLN 41 1HB GLN 41 50.196 21.127 6.461
330 HB3 GLN 41 2HB GLN 41 49.489 22.544 5.684
331 HG2 GLN 41 1HG GLN 41 47.350 21.387 5.445
332 HG3 GLN 41 2HG GLN 41 48.041 19.920 6.130
333 HE21 GLN 41 1HE2 GLN 41 45.782 21.216 7.326
334 HE22 GLN 41 2HE2 GLN 41 46.260 21.831 8.834
335 H LYS 42 H LYS 42 50.220 23.031 3.065
336 HA LYS 42 HA LYS 42 52.865 22.546 2.147
337 HB2 LYS 42 1HB LYS 42 51.318 25.139 2.378
338 HB3 LYS 42 2HB LYS 42 52.823 24.932 1.481
339 HG2 LYS 42 1HG LYS 42 51.823 23.545 -0.128
340 HG3 LYS 42 2HG LYS 42 50.466 23.143 0.924
341 HD2 LYS 42 1HD LYS 42 49.406 25.199 0.569
342 HD3 LYS 42 2HD LYS 42 50.899 25.990 0.060
343 HE2 LYS 42 1HE LYS 42 49.708 23.727 -1.539
344 HE3 LYS 42 2HE LYS 42 49.186 25.394 -1.781
345 HZ1 LYS 42 1HZ LYS 42 51.479 26.016 -2.209
346 HZ2 LYS 42 2HZ LYS 42 50.979 24.799 -3.286
347 HZ3 LYS 42 3HZ LYS 42 51.983 24.413 -1.971
348 HA PRO 43 HA PRO 43 55.019 23.983 5.760
349 HB2 PRO 43 1HB PRO 43 57.509 24.360 4.796
350 HB3 PRO 43 2HB PRO 43 56.782 22.743 4.893
351 HG2 PRO 43 1HG PRO 43 57.203 24.483 2.542
352 HG3 PRO 43 2HG PRO 43 57.217 22.716 2.664
353 HD2 PRO 43 1HD PRO 43 55.074 24.299 1.734
354 HD3 PRO 43 2HD PRO 43 55.006 22.573 2.149
355 H GLY 44 H GLY 44 54.364 25.956 6.510
356 HA2 GLY 44 1HA GLY 44 54.350 28.383 5.137
357 HA3 GLY 44 2HA GLY 44 54.380 28.227 6.890
358 H THR 45 H THR 45 56.897 26.902 7.101
359 HA THR 45 HA THR 45 58.773 28.979 6.126
360 HB THR 45 HB THR 45 59.984 28.808 8.238
361 HG1 THR 45 HG1 THR 45 59.635 27.176 9.479
362 HG21 THR 45 1HG2 THR 45 58.459 30.017 9.599
363 HG22 THR 45 2HG2 THR 45 57.065 29.184 8.911
364 HG23 THR 45 3HG2 THR 45 57.959 30.354 7.942
365 H HIS 46 H HIS 46 61.026 28.243 6.023
366 HA HIS 46 HA HIS 46 61.168 25.405 5.216
367 HB2 HIS 46 1HB HIS 46 62.896 27.770 4.481
368 HB3 HIS 46 2HB HIS 46 63.200 26.119 3.973
369 HD1 HIS 46 HD1 HIS 46 60.988 29.065 3.342
370 HD2 HIS 46 HD2 HIS 46 61.423 25.163 1.940
371 HE1 HIS 46 HE1 HIS 46 59.580 28.897 1.245
Start of MODEL 16
1 H ARG 1 3H ARG 1 12.747 -4.671 -11.741
2 HA ARG 1 HA ARG 1 12.994 -2.554 -13.176
3 HB2 ARG 1 1HB ARG 1 14.427 -3.733 -14.853
4 HB3 ARG 1 2HB ARG 1 13.049 -4.754 -15.264
5 HG2 ARG 1 1HG ARG 1 11.748 -2.725 -15.863
6 HG3 ARG 1 2HG ARG 1 13.166 -1.735 -15.516
7 HD2 ARG 1 1HD ARG 1 14.439 -3.033 -17.229
8 HD3 ARG 1 2HD ARG 1 12.957 -3.898 -17.627
9 HE ARG 1 HE ARG 1 12.613 -1.053 -17.766
10 HH11 ARG 1 1HH1 ARG 1 13.846 -3.799 -19.573
11 HH12 ARG 1 2HH1 ARG 1 13.627 -3.019 -21.102
12 HH21 ARG 1 1HH2 ARG 1 12.353 -0.099 -19.766
13 HH22 ARG 1 2HH2 ARG 1 12.791 -0.950 -21.210
14 H SER 2 H SER 2 11.450 -5.520 -14.443
15 HA SER 2 HA SER 2 8.888 -4.387 -14.690
16 HB2 SER 2 1HB SER 2 8.116 -6.598 -15.126
17 HB3 SER 2 2HB SER 2 9.758 -6.528 -15.756
18 HG SER 2 HG SER 2 10.459 -7.708 -14.065
19 H LEU 3 H LEU 3 7.027 -4.565 -13.419
20 HA LEU 3 HA LEU 3 7.345 -4.295 -10.635
21 HB2 LEU 3 1HB LEU 3 5.421 -3.416 -11.956
22 HB3 LEU 3 2HB LEU 3 4.827 -5.068 -12.127
23 HG LEU 3 HG LEU 3 4.858 -5.225 -9.591
24 HD11 LEU 3 1HD1 LEU 3 6.253 -3.496 -8.857
25 HD12 LEU 3 2HD1 LEU 3 4.651 -2.813 -8.579
26 HD13 LEU 3 3HD1 LEU 3 5.578 -2.334 -10.001
27 HD21 LEU 3 1HD2 LEU 3 3.083 -3.323 -11.117
28 HD22 LEU 3 2HD2 LEU 3 2.817 -3.623 -9.400
29 HD23 LEU 3 3HD2 LEU 3 2.721 -4.954 -10.553
30 H LEU 4 H LEU 4 6.517 -7.089 -12.634
31 HA LEU 4 HA LEU 4 5.674 -8.843 -10.613
32 HB2 LEU 4 1HB LEU 4 5.432 -9.239 -13.062
33 HB3 LEU 4 2HB LEU 4 7.163 -9.565 -13.145
34 HG LEU 4 HG LEU 4 6.799 -11.347 -11.368
35 HD11 LEU 4 1HD1 LEU 4 4.323 -12.178 -11.461
36 HD12 LEU 4 2HD1 LEU 4 3.963 -10.522 -11.949
37 HD13 LEU 4 3HD1 LEU 4 4.727 -10.836 -10.391
38 HD21 LEU 4 1HD2 LEU 4 7.001 -11.773 -13.853
39 HD22 LEU 4 2HD2 LEU 4 5.239 -11.768 -13.932
40 HD23 LEU 4 3HD2 LEU 4 6.076 -12.995 -12.980
41 H GLU 5 H GLU 5 8.909 -7.959 -11.701
42 HA GLU 5 HA GLU 5 10.351 -10.094 -10.589
43 HB2 GLU 5 1HB GLU 5 11.270 -8.389 -12.167
44 HB3 GLU 5 2HB GLU 5 11.284 -7.228 -10.837
45 HG2 GLU 5 1HG GLU 5 12.732 -8.782 -9.538
46 HG3 GLU 5 2HG GLU 5 12.772 -9.867 -10.920
47 H GLY 6 H GLY 6 9.181 -7.089 -9.132
48 HA2 GLY 6 1HA GLY 6 8.833 -6.591 -6.896
49 HA3 GLY 6 2HA GLY 6 9.334 -8.232 -6.499
50 H GLU 7 H GLU 7 11.010 -5.528 -8.114
51 HA GLU 7 HA GLU 7 13.549 -6.109 -7.142
52 HB2 GLU 7 1HB GLU 7 13.011 -4.512 -8.991
53 HB3 GLU 7 2HB GLU 7 12.491 -3.348 -7.773
54 HG2 GLU 7 1HG GLU 7 14.742 -3.486 -6.720
55 HG3 GLU 7 2HG GLU 7 15.253 -4.570 -8.006
56 H ILE 8 H ILE 8 14.768 -5.435 -5.424
57 HA ILE 8 HA ILE 8 13.258 -4.356 -3.126
58 HB ILE 8 HB ILE 8 15.751 -6.082 -3.223
59 HG12 ILE 8 1HG1 ILE 8 12.975 -6.773 -2.232
60 HG13 ILE 8 2HG1 ILE 8 13.543 -7.154 -3.858
61 HG21 ILE 8 1HG2 ILE 8 15.588 -6.216 -0.817
62 HG22 ILE 8 2HG2 ILE 8 14.094 -5.278 -0.819
63 HG23 ILE 8 3HG2 ILE 8 15.618 -4.509 -1.260
64 HD11 ILE 8 1HD1 ILE 8 15.393 -8.471 -2.923
65 HD12 ILE 8 2HD1 ILE 8 13.850 -9.069 -2.314
66 HD13 ILE 8 3HD1 ILE 8 14.873 -8.064 -1.289
67 HA PRO 9 HA PRO 9 15.720 -0.606 -3.346
68 HB2 PRO 9 1HB PRO 9 16.133 -1.011 -0.406
69 HB3 PRO 9 2HB PRO 9 15.654 0.456 -1.286
70 HG2 PRO 9 1HG PRO 9 13.867 -0.973 0.044
71 HG3 PRO 9 2HG PRO 9 13.470 -0.228 -1.516
72 HD2 PRO 9 1HD PRO 9 13.954 -3.091 -0.877
73 HD3 PRO 9 2HD PRO 9 12.934 -2.375 -2.140
74 H PHE 10 H PHE 10 17.498 -1.331 -4.493
75 HA PHE 10 HA PHE 10 19.580 -2.886 -3.244
76 HB2 PHE 10 1HB PHE 10 19.001 -1.847 -5.959
77 HB3 PHE 10 2HB PHE 10 20.684 -2.159 -5.578
78 HD1 PHE 10 HD1 PHE 10 17.364 -3.636 -6.106
79 HD2 PHE 10 HD2 PHE 10 21.472 -4.436 -5.139
80 HE1 PHE 10 HE1 PHE 10 16.998 -6.048 -6.551
81 HE2 PHE 10 HE2 PHE 10 21.107 -6.848 -5.584
82 HZ PHE 10 HZ PHE 10 18.871 -7.654 -6.290
83 HA PRO 11 HA PRO 11 22.084 1.269 -4.163
84 HB2 PRO 11 1HB PRO 11 19.988 3.186 -3.291
85 HB3 PRO 11 2HB PRO 11 21.226 3.341 -4.544
86 HG2 PRO 11 1HG PRO 11 18.611 2.834 -5.058
87 HG3 PRO 11 2HG PRO 11 19.947 2.379 -6.125
88 HD2 PRO 11 1HD PRO 11 18.216 0.656 -4.509
89 HD3 PRO 11 2HD PRO 11 19.307 0.222 -5.839
90 HA PRO 12 HA PRO 12 21.171 2.648 0.464
91 HB2 PRO 12 1HB PRO 12 19.548 0.278 1.288
92 HB3 PRO 12 2HB PRO 12 19.443 1.965 1.822
93 HG2 PRO 12 1HG PRO 12 17.662 0.923 0.148
94 HG3 PRO 12 2HG PRO 12 18.198 2.608 0.013
95 HD2 PRO 12 1HD PRO 12 18.908 0.268 -1.698
96 HD3 PRO 12 2HD PRO 12 18.747 1.982 -2.134
97 H THR 13 H THR 13 20.842 -0.915 0.439
98 HA THR 13 HA THR 13 23.074 -1.334 2.120
99 HB THR 13 HB THR 13 22.817 -3.702 1.547
100 HG1 THR 13 HG1 THR 13 22.395 -3.613 -0.612
101 HG21 THR 13 1HG2 THR 13 21.249 -2.625 3.146
102 HG22 THR 13 2HG2 THR 13 20.492 -3.953 2.265
103 HG23 THR 13 3HG2 THR 13 20.151 -2.284 1.808
104 H SER 14 H SER 14 23.147 -0.376 -1.113
105 HA SER 14 HA SER 14 25.279 -2.170 -1.983
106 HB2 SER 14 1HB SER 14 23.474 -1.389 -3.555
107 HB3 SER 14 2HB SER 14 24.120 0.241 -3.403
108 HG SER 14 HG SER 14 25.097 -1.965 -4.749
109 H ILE 15 H ILE 15 24.763 1.286 -1.456
110 HA ILE 15 HA ILE 15 27.479 2.082 -1.594
111 HB ILE 15 HB ILE 15 25.209 3.328 -0.013
112 HG12 ILE 15 1HG1 ILE 15 26.222 3.985 -2.796
113 HG13 ILE 15 2HG1 ILE 15 24.772 3.033 -2.473
114 HG21 ILE 15 1HG2 ILE 15 27.469 4.112 0.643
115 HG22 ILE 15 2HG2 ILE 15 26.556 5.380 -0.174
116 HG23 ILE 15 3HG2 ILE 15 27.812 4.499 -1.042
117 HD11 ILE 15 1HD1 ILE 15 24.026 5.038 -1.013
118 HD12 ILE 15 2HD1 ILE 15 23.945 5.225 -2.765
119 HD13 ILE 15 3HD1 ILE 15 25.280 5.943 -1.861
120 H LEU 16 H LEU 16 25.386 0.931 1.044
121 HA LEU 16 HA LEU 16 27.203 1.347 3.170
122 HB2 LEU 16 1HB LEU 16 24.799 0.748 3.446
123 HB3 LEU 16 2HB LEU 16 25.177 -0.886 2.898
124 HG LEU 16 HG LEU 16 26.892 -0.998 4.770
125 HD11 LEU 16 1HD1 LEU 16 26.336 0.641 6.668
126 HD12 LEU 16 2HD1 LEU 16 25.508 1.603 5.443
127 HD13 LEU 16 3HD1 LEU 16 27.239 1.295 5.301
128 HD21 LEU 16 1HD2 LEU 16 24.910 -2.204 5.172
129 HD22 LEU 16 2HD2 LEU 16 23.925 -0.742 5.233
130 HD23 LEU 16 3HD2 LEU 16 25.010 -1.131 6.569
131 H LEU 17 H LEU 17 26.844 -1.311 0.863
132 HA LEU 17 HA LEU 17 28.563 -3.129 2.229
133 HB2 LEU 17 1HB LEU 17 26.831 -3.713 0.478
134 HB3 LEU 17 2HB LEU 17 27.955 -3.098 -0.732
135 HG LEU 17 HG LEU 17 28.945 -5.105 1.268
136 HD11 LEU 17 1HD1 LEU 17 28.257 -6.916 -0.330
137 HD12 LEU 17 2HD1 LEU 17 27.279 -5.724 -1.188
138 HD13 LEU 17 3HD1 LEU 17 26.896 -6.141 0.483
139 HD21 LEU 17 1HD2 LEU 17 30.666 -4.350 -0.129
140 HD22 LEU 17 2HD2 LEU 17 29.603 -4.207 -1.528
141 HD23 LEU 17 3HD2 LEU 17 30.125 -5.798 -0.975
142 H LEU 18 H LEU 18 29.044 -0.878 -0.457
143 HA LEU 18 HA LEU 18 31.727 -1.523 -1.021
144 HB2 LEU 18 1HB LEU 18 30.259 -0.139 -2.487
145 HB3 LEU 18 2HB LEU 18 30.378 1.173 -1.313
146 HG LEU 18 HG LEU 18 32.903 1.020 -1.568
147 HD11 LEU 18 1HD1 LEU 18 33.465 0.009 -3.922
148 HD12 LEU 18 2HD1 LEU 18 31.987 -0.922 -3.672
149 HD13 LEU 18 3HD1 LEU 18 33.325 -1.070 -2.533
150 HD21 LEU 18 1HD2 LEU 18 31.791 2.840 -2.646
151 HD22 LEU 18 2HD2 LEU 18 31.103 1.782 -3.878
152 HD23 LEU 18 3HD2 LEU 18 32.833 2.127 -3.877
153 H LEU 19 H LEU 19 30.265 0.823 1.207
154 HA LEU 19 HA LEU 19 32.632 2.050 2.100
155 HB2 LEU 19 1HB LEU 19 30.264 2.784 2.577
156 HB3 LEU 19 2HB LEU 19 30.179 1.502 3.783
157 HG LEU 19 HG LEU 19 32.493 3.411 3.876
158 HD11 LEU 19 1HD1 LEU 19 30.468 4.834 3.645
159 HD12 LEU 19 2HD1 LEU 19 31.193 4.973 5.247
160 HD13 LEU 19 3HD1 LEU 19 29.743 3.995 5.018
161 HD21 LEU 19 1HD2 LEU 19 30.954 1.648 5.763
162 HD22 LEU 19 2HD2 LEU 19 31.864 3.013 6.407
163 HD23 LEU 19 3HD2 LEU 19 32.695 1.748 5.506
164 H ALA 20 H ALA 20 30.974 -0.896 3.168
165 HA ALA 20 HA ALA 20 32.525 -1.349 5.486
166 HB1 ALA 20 1HB ALA 20 30.902 -3.153 3.702
167 HB2 ALA 20 2HB ALA 20 30.527 -2.584 5.329
168 HB3 ALA 20 3HB ALA 20 31.794 -3.787 5.085
169 H CYS 21 H CYS 21 32.916 -2.491 2.144
170 HA CYS 21 HA CYS 21 35.065 -4.248 2.647
171 HB2 CYS 21 1HB CYS 21 34.302 -2.759 0.126
172 HB3 CYS 21 2HB CYS 21 35.490 -4.060 0.199
173 HG CYS 21 HG CYS 21 33.249 -5.222 -0.359
174 H ILE 22 H ILE 22 35.023 -0.853 1.586
175 HA ILE 22 HA ILE 22 37.800 -0.615 1.164
176 HB ILE 22 HB ILE 22 35.811 1.536 1.944
177 HG12 ILE 22 1HG1 ILE 22 36.801 0.708 -0.798
178 HG13 ILE 22 2HG1 ILE 22 35.268 0.169 -0.114
179 HG21 ILE 22 1HG2 ILE 22 38.481 1.748 0.517
180 HG22 ILE 22 2HG2 ILE 22 38.208 2.193 2.201
181 HG23 ILE 22 3HG2 ILE 22 37.399 3.083 0.911
182 HD11 ILE 22 1HD1 ILE 22 36.096 3.023 -0.702
183 HD12 ILE 22 2HD1 ILE 22 34.635 2.589 0.186
184 HD13 ILE 22 3HD1 ILE 22 34.821 2.102 -1.499
185 H PHE 23 H PHE 23 35.807 0.004 4.044
186 HA PHE 23 HA PHE 23 37.841 1.169 5.613
187 HB2 PHE 23 1HB PHE 23 35.410 1.247 6.127
188 HB3 PHE 23 2HB PHE 23 35.473 -0.454 6.548
189 HD1 PHE 23 HD1 PHE 23 36.559 -1.202 8.611
190 HD2 PHE 23 HD2 PHE 23 36.392 2.958 7.554
191 HE1 PHE 23 HE1 PHE 23 37.205 -0.587 10.925
192 HE2 PHE 23 HE2 PHE 23 37.040 3.573 9.868
193 HZ PHE 23 HZ PHE 23 37.446 1.800 11.554
194 H LEU 24 H LEU 24 36.710 -2.198 5.377
195 HA LEU 24 HA LEU 24 38.289 -3.194 7.491
196 HB2 LEU 24 1HB LEU 24 36.339 -4.378 6.489
197 HB3 LEU 24 2HB LEU 24 37.312 -4.699 5.053
198 HG LEU 24 HG LEU 24 39.008 -5.812 6.580
199 HD11 LEU 24 1HD1 LEU 24 37.945 -6.613 8.773
200 HD12 LEU 24 2HD1 LEU 24 36.742 -5.348 8.528
201 HD13 LEU 24 3HD1 LEU 24 38.443 -4.922 8.718
202 HD21 LEU 24 1HD2 LEU 24 37.525 -7.862 6.919
203 HD22 LEU 24 2HD2 LEU 24 37.571 -7.221 5.276
204 HD23 LEU 24 3HD2 LEU 24 36.188 -6.883 6.316
205 H ILE 25 H ILE 25 38.863 -3.128 3.976
206 HA ILE 25 HA ILE 25 41.317 -4.540 4.118
207 HB ILE 25 HB ILE 25 39.980 -4.366 2.057
208 HG12 ILE 25 1HG1 ILE 25 42.709 -3.148 1.619
209 HG13 ILE 25 2HG1 ILE 25 42.496 -4.824 2.126
210 HG21 ILE 25 1HG2 ILE 25 40.962 -1.498 2.035
211 HG22 ILE 25 2HG2 ILE 25 39.287 -2.030 2.205
212 HG23 ILE 25 3HG2 ILE 25 40.151 -2.303 0.694
213 HD11 ILE 25 1HD1 ILE 25 41.655 -3.518 -0.454
214 HD12 ILE 25 2HD1 ILE 25 40.857 -4.986 0.111
215 HD13 ILE 25 3HD1 ILE 25 42.591 -4.994 -0.216
216 H LYS 26 H LYS 26 40.562 -1.092 4.316
217 HA LYS 26 HA LYS 26 43.157 -0.089 3.944
218 HB2 LYS 26 1HB LYS 26 41.076 1.282 3.980
219 HB3 LYS 26 2HB LYS 26 40.990 1.047 5.727
220 HG2 LYS 26 1HG LYS 26 43.247 2.072 5.948
221 HG3 LYS 26 2HG LYS 26 43.251 2.383 4.211
222 HD2 LYS 26 1HD LYS 26 41.139 3.704 4.499
223 HD3 LYS 26 2HD LYS 26 41.302 3.502 6.244
224 HE2 LYS 26 1HE LYS 26 43.349 4.732 6.294
225 HE3 LYS 26 2HE LYS 26 43.499 4.688 4.537
226 HZ1 LYS 26 1HZ LYS 26 42.017 6.492 6.190
227 HZ2 LYS 26 2HZ LYS 26 41.058 5.813 4.963
228 HZ3 LYS 26 3HZ LYS 26 42.483 6.650 4.567
229 H ILE 27 H ILE 27 41.466 -1.127 6.886
230 HA ILE 27 HA ILE 27 43.560 -0.434 8.676
231 HB ILE 27 HB ILE 27 41.431 -2.549 9.042
232 HG12 ILE 27 1HG1 ILE 27 40.408 -0.399 8.461
233 HG13 ILE 27 2HG1 ILE 27 40.138 -0.759 10.161
234 HG21 ILE 27 1HG2 ILE 27 41.770 -1.778 11.486
235 HG22 ILE 27 2HG2 ILE 27 43.287 -1.087 10.913
236 HG23 ILE 27 3HG2 ILE 27 43.002 -2.822 10.777
237 HD11 ILE 27 1HD1 ILE 27 42.074 0.725 10.736
238 HD12 ILE 27 2HD1 ILE 27 40.769 1.582 9.920
239 HD13 ILE 27 3HD1 ILE 27 42.220 1.136 9.027
240 H LEU 28 H LEU 28 42.720 -3.515 7.096
241 HA LEU 28 HA LEU 28 44.601 -5.106 8.447
242 HB2 LEU 28 1HB LEU 28 43.466 -5.431 5.660
243 HB3 LEU 28 2HB LEU 28 44.324 -6.682 6.559
244 HG LEU 28 HG LEU 28 41.813 -5.310 7.557
245 HD11 LEU 28 1HD1 LEU 28 40.702 -7.469 6.984
246 HD12 LEU 28 2HD1 LEU 28 42.190 -7.997 6.199
247 HD13 LEU 28 3HD1 LEU 28 41.295 -6.620 5.557
248 HD21 LEU 28 1HD2 LEU 28 41.832 -7.404 9.040
249 HD22 LEU 28 2HD2 LEU 28 43.060 -6.188 9.395
250 HD23 LEU 28 3HD2 LEU 28 43.492 -7.644 8.497
251 H ALA 29 H ALA 29 44.882 -3.204 5.477
252 HA ALA 29 HA ALA 29 47.398 -4.165 4.660
253 HB1 ALA 29 1HB ALA 29 47.469 -2.298 3.182
254 HB2 ALA 29 2HB ALA 29 46.381 -1.359 4.205
255 HB3 ALA 29 3HB ALA 29 45.771 -2.754 3.315
256 H ALA 30 H ALA 30 46.551 -1.306 6.621
257 HA ALA 30 HA ALA 30 47.828 0.047 7.970
258 HB1 ALA 30 1HB ALA 30 48.012 -2.388 8.973
259 HB2 ALA 30 2HB ALA 30 48.998 -1.073 9.613
260 HB3 ALA 30 3HB ALA 30 49.697 -2.228 8.478
261 H SER 31 H SER 31 48.557 0.065 5.183
262 HA SER 31 HA SER 31 51.265 -0.312 4.646
263 HB2 SER 31 1HB SER 31 49.463 1.819 3.477
264 HB3 SER 31 2HB SER 31 50.947 1.198 2.764
265 HG SER 31 HG SER 31 49.094 0.165 1.913
266 H ALA 32 H ALA 32 49.615 2.463 6.099
267 HA ALA 32 HA ALA 32 51.727 4.312 5.906
268 HB1 ALA 32 1HB ALA 32 50.556 5.585 7.587
269 HB2 ALA 32 2HB ALA 32 49.666 4.156 8.114
270 HB3 ALA 32 3HB ALA 32 49.357 4.850 6.523
271 H LEU 33 H LEU 33 50.821 2.168 8.623
272 HA LEU 33 HA LEU 33 52.868 3.006 10.360
273 HB2 LEU 33 1HB LEU 33 50.861 1.694 11.035
274 HB3 LEU 33 2HB LEU 33 51.563 0.279 10.249
275 HG LEU 33 HG LEU 33 53.604 0.602 11.722
276 HD11 LEU 33 1HD1 LEU 33 53.406 2.868 12.417
277 HD12 LEU 33 2HD1 LEU 33 53.038 1.919 13.858
278 HD13 LEU 33 3HD1 LEU 33 51.731 2.647 12.924
279 HD21 LEU 33 1HD2 LEU 33 52.454 -0.326 13.753
280 HD22 LEU 33 2HD2 LEU 33 51.966 -1.118 12.254
281 HD23 LEU 33 3HD2 LEU 33 50.907 0.074 13.008
282 H TRP 34 H TRP 34 52.790 0.461 7.902
283 HA TRP 34 HA TRP 34 55.212 -0.800 8.615
284 HB2 TRP 34 1HB TRP 34 53.449 -1.722 7.096
285 HB3 TRP 34 2HB TRP 34 53.998 -0.606 5.860
286 HD1 TRP 34 HD1 TRP 34 56.037 -1.297 4.446
287 HE1 TRP 34 HE1 TRP 34 57.580 -3.360 4.400
288 HE3 TRP 34 HE3 TRP 34 54.575 -3.588 8.769
289 HZ2 TRP 34 HZ2 TRP 34 58.124 -5.681 5.988
290 HZ3 TRP 34 HZ3 TRP 34 55.618 -5.718 9.477
291 HH2 TRP 34 HH2 TRP 34 57.387 -6.768 8.097
292 H ALA 35 H ALA 35 54.519 1.794 6.286
293 HA ALA 35 HA ALA 35 57.129 1.947 5.211
294 HB1 ALA 35 1HB ALA 35 56.408 3.916 4.127
295 HB2 ALA 35 2HB ALA 35 55.224 4.275 5.385
296 HB3 ALA 35 3HB ALA 35 54.952 2.930 4.276
297 H ALA 36 H ALA 36 55.539 3.792 7.807
298 HA ALA 36 HA ALA 36 57.673 5.560 8.313
299 HB1 ALA 36 1HB ALA 36 55.451 4.537 10.088
300 HB2 ALA 36 2HB ALA 36 55.514 6.068 9.214
301 HB3 ALA 36 3HB ALA 36 56.588 5.791 10.585
302 H ALA 37 H ALA 37 56.917 2.359 9.626
303 HA ALA 37 HA ALA 37 58.972 2.334 11.587
304 HB1 ALA 37 1HB ALA 37 58.366 0.124 11.974
305 HB2 ALA 37 2HB ALA 37 57.960 -0.169 10.284
306 HB3 ALA 37 3HB ALA 37 56.883 0.793 11.297
307 H TRP 38 H TRP 38 58.882 1.413 8.182
308 HA TRP 38 HA TRP 38 61.176 -0.172 8.064
309 HB2 TRP 38 1HB TRP 38 59.493 0.173 6.242
310 HB3 TRP 38 2HB TRP 38 60.215 1.741 5.939
311 HD1 TRP 38 HD1 TRP 38 61.934 1.745 4.090
312 HE1 TRP 38 HE1 TRP 38 63.483 0.001 2.994
313 HE3 TRP 38 HE3 TRP 38 60.881 -2.318 6.998
314 HZ2 TRP 38 HZ2 TRP 38 64.184 -2.759 3.309
315 HZ3 TRP 38 HZ3 TRP 38 61.999 -4.486 6.580
316 HH2 TRP 38 HH2 TRP 38 63.647 -4.714 4.743
317 H HIS 39 H HIS 39 60.855 3.358 7.729
318 HA HIS 39 HA HIS 39 63.771 3.577 8.214
319 HB2 HIS 39 1HB HIS 39 62.046 5.143 6.305
320 HB3 HIS 39 2HB HIS 39 63.619 5.700 6.838
321 HD1 HIS 39 HD1 HIS 39 62.282 4.305 3.991
322 HD2 HIS 39 HD2 HIS 39 65.489 3.132 6.381
323 HE1 HIS 39 HE1 HIS 39 63.753 2.839 2.544
324 H GLY 40 H GLY 40 64.381 4.961 9.779
325 HA2 GLY 40 1HA GLY 40 62.290 6.355 11.278
326 HA3 GLY 40 2HA GLY 40 63.960 6.119 11.789
327 H GLN 41 H GLN 41 62.759 8.603 12.032
328 HA GLN 41 HA GLN 41 63.048 10.826 11.532
329 HB2 GLN 41 1HB GLN 41 65.586 9.711 10.321
330 HB3 GLN 41 2HB GLN 41 65.274 11.427 10.582
331 HG2 GLN 41 1HG GLN 41 65.028 11.051 12.985
332 HG3 GLN 41 2HG GLN 41 65.239 9.318 12.758
333 HE21 GLN 41 1HE2 GLN 41 66.988 10.834 14.446
334 HE22 GLN 41 2HE2 GLN 41 68.530 10.850 13.736
335 H LYS 42 H LYS 42 61.357 11.227 10.137
336 HA LYS 42 HA LYS 42 61.151 10.408 7.475
337 HB2 LYS 42 1HB LYS 42 59.511 12.215 7.211
338 HB3 LYS 42 2HB LYS 42 59.249 11.324 8.705
339 HG2 LYS 42 1HG LYS 42 61.069 13.649 9.003
340 HG3 LYS 42 2HG LYS 42 59.445 14.079 8.488
341 HD2 LYS 42 1HD LYS 42 59.779 12.163 10.775
342 HD3 LYS 42 2HD LYS 42 60.009 13.889 11.055
343 HE2 LYS 42 1HE LYS 42 57.748 14.205 9.864
344 HE3 LYS 42 2HE LYS 42 57.530 12.469 10.079
345 HZ1 LYS 42 1HZ LYS 42 58.032 12.870 12.492
346 HZ2 LYS 42 2HZ LYS 42 56.553 13.497 11.938
347 HZ3 LYS 42 3HZ LYS 42 57.880 14.530 12.176
348 HA PRO 43 HA PRO 43 64.057 13.020 5.419
349 HB2 PRO 43 1HB PRO 43 63.029 13.235 2.918
350 HB3 PRO 43 2HB PRO 43 63.717 11.722 3.540
351 HG2 PRO 43 1HG PRO 43 60.872 12.526 3.252
352 HG3 PRO 43 2HG PRO 43 61.635 10.948 2.988
353 HD2 PRO 43 1HD PRO 43 60.227 11.609 5.267
354 HD3 PRO 43 2HD PRO 43 61.481 10.353 5.199
355 H GLY 44 H GLY 44 60.706 14.040 5.481
356 HA2 GLY 44 1HA GLY 44 60.819 16.536 4.270
357 HA3 GLY 44 2HA GLY 44 59.745 16.128 5.603
358 H THR 45 H THR 45 61.845 15.587 7.518
359 HA THR 45 HA THR 45 62.943 18.315 7.911
360 HB THR 45 HB THR 45 62.046 16.376 10.057
361 HG1 THR 45 HG1 THR 45 60.180 17.360 10.003
362 HG21 THR 45 1HG2 THR 45 62.849 19.297 10.170
363 HG22 THR 45 2HG2 THR 45 63.855 17.949 10.700
364 HG23 THR 45 3HG2 THR 45 62.345 18.306 11.539
365 H HIS 46 H HIS 46 65.056 18.484 8.485
366 HA HIS 46 HA HIS 46 66.648 16.026 8.345
367 HB2 HIS 46 1HB HIS 46 67.425 18.943 8.273
368 HB3 HIS 46 2HB HIS 46 68.566 17.615 8.196
369 HD1 HIS 46 HD1 HIS 46 68.401 19.614 5.878
370 HD2 HIS 46 HD2 HIS 46 66.210 16.070 6.000
371 HE1 HIS 46 HE1 HIS 46 67.812 19.055 3.481
Start of MODEL 17
1 H ARG 1 3H ARG 1 13.031 8.136 9.205
2 HA ARG 1 HA ARG 1 12.219 8.154 6.963
3 HB2 ARG 1 1HB ARG 1 11.036 9.492 8.711
4 HB3 ARG 1 2HB ARG 1 11.972 10.904 8.218
5 HG2 ARG 1 1HG ARG 1 11.069 10.652 5.907
6 HG3 ARG 1 2HG ARG 1 10.058 9.323 6.478
7 HD2 ARG 1 1HD ARG 1 9.983 12.163 7.536
8 HD3 ARG 1 2HD ARG 1 8.804 11.452 6.437
9 HE ARG 1 HE ARG 1 9.123 9.903 8.831
10 HH11 ARG 1 1HH1 ARG 1 7.505 12.740 7.543
11 HH12 ARG 1 2HH1 ARG 1 6.229 12.665 8.712
12 HH21 ARG 1 1HH2 ARG 1 7.453 9.858 10.310
13 HH22 ARG 1 2HH2 ARG 1 6.201 11.054 10.257
14 H SER 2 H SER 2 13.404 8.131 5.133
15 HA SER 2 HA SER 2 15.490 9.854 4.447
16 HB2 SER 2 1HB SER 2 13.633 8.393 2.560
17 HB3 SER 2 2HB SER 2 15.239 9.003 2.180
18 HG SER 2 HG SER 2 16.124 7.476 3.440
19 H LEU 3 H LEU 3 12.017 10.262 4.032
20 HA LEU 3 HA LEU 3 11.995 12.259 2.073
21 HB2 LEU 3 1HB LEU 3 10.140 11.964 4.448
22 HB3 LEU 3 2HB LEU 3 9.806 12.886 2.982
23 HG LEU 3 HG LEU 3 10.367 9.906 3.045
24 HD11 LEU 3 1HD1 LEU 3 7.981 9.621 2.651
25 HD12 LEU 3 2HD1 LEU 3 7.744 11.369 2.620
26 HD13 LEU 3 3HD1 LEU 3 8.203 10.568 4.123
27 HD21 LEU 3 1HD2 LEU 3 10.987 10.817 0.912
28 HD22 LEU 3 2HD2 LEU 3 9.562 11.855 0.871
29 HD23 LEU 3 3HD2 LEU 3 9.386 10.108 0.698
30 H LEU 4 H LEU 4 12.508 12.488 5.570
31 HA LEU 4 HA LEU 4 12.387 15.285 5.822
32 HB2 LEU 4 1HB LEU 4 12.462 13.607 7.692
33 HB3 LEU 4 2HB LEU 4 14.186 13.417 7.381
34 HG LEU 4 HG LEU 4 13.107 16.192 7.759
35 HD11 LEU 4 1HD1 LEU 4 12.122 14.925 9.624
36 HD12 LEU 4 2HD1 LEU 4 13.408 15.982 10.206
37 HD13 LEU 4 3HD1 LEU 4 13.705 14.254 10.016
38 HD21 LEU 4 1HD2 LEU 4 15.423 16.179 9.050
39 HD22 LEU 4 2HD2 LEU 4 15.391 16.238 7.290
40 HD23 LEU 4 3HD2 LEU 4 15.696 14.711 8.113
41 H GLU 5 H GLU 5 15.064 13.129 4.961
42 HA GLU 5 HA GLU 5 17.114 15.066 4.958
43 HB2 GLU 5 1HB GLU 5 16.836 12.510 3.364
44 HB3 GLU 5 2HB GLU 5 18.325 13.447 3.511
45 HG2 GLU 5 1HG GLU 5 18.210 13.194 5.981
46 HG3 GLU 5 2HG GLU 5 16.777 12.193 5.796
47 H GLY 6 H GLY 6 14.820 14.072 2.445
48 HA2 GLY 6 1HA GLY 6 14.020 15.328 0.672
49 HA3 GLY 6 2HA GLY 6 15.083 16.639 1.168
50 H GLU 7 H GLU 7 16.173 13.354 0.469
51 HA GLU 7 HA GLU 7 17.463 14.357 -2.005
52 HB2 GLU 7 1HB GLU 7 19.347 12.875 -1.549
53 HB3 GLU 7 2HB GLU 7 19.115 14.002 -0.215
54 HG2 GLU 7 1HG GLU 7 17.839 12.234 1.003
55 HG3 GLU 7 2HG GLU 7 18.198 11.115 -0.305
56 H ILE 8 H ILE 8 18.026 12.585 -3.543
57 HA ILE 8 HA ILE 8 15.699 11.137 -4.206
58 HB ILE 8 HB ILE 8 16.861 10.234 -6.050
59 HG12 ILE 8 1HG1 ILE 8 18.835 9.302 -4.940
60 HG13 ILE 8 2HG1 ILE 8 19.298 10.261 -6.337
61 HG21 ILE 8 1HG2 ILE 8 16.499 12.652 -6.171
62 HG22 ILE 8 2HG2 ILE 8 17.943 12.173 -7.063
63 HG23 ILE 8 3HG2 ILE 8 18.097 12.929 -5.478
64 HD11 ILE 8 1HD1 ILE 8 19.480 11.066 -3.422
65 HD12 ILE 8 2HD1 ILE 8 19.754 12.184 -4.758
66 HD13 ILE 8 3HD1 ILE 8 20.812 10.794 -4.540
67 HA PRO 9 HA PRO 9 16.346 7.470 -1.832
68 HB2 PRO 9 1HB PRO 9 15.057 5.556 -3.258
69 HB3 PRO 9 2HB PRO 9 14.192 6.861 -2.421
70 HG2 PRO 9 1HG PRO 9 14.799 6.541 -5.301
71 HG3 PRO 9 2HG PRO 9 13.385 7.260 -4.512
72 HD2 PRO 9 1HD PRO 9 15.503 8.699 -5.618
73 HD3 PRO 9 2HD PRO 9 14.333 9.335 -4.443
74 H PHE 10 H PHE 10 18.714 7.685 -2.454
75 HA PHE 10 HA PHE 10 19.874 6.082 -4.455
76 HB2 PHE 10 1HB PHE 10 20.787 7.712 -2.273
77 HB3 PHE 10 2HB PHE 10 21.638 6.189 -2.190
78 HD1 PHE 10 HD1 PHE 10 20.460 8.242 -5.104
79 HD2 PHE 10 HD2 PHE 10 23.785 6.519 -3.000
80 HE1 PHE 10 HE1 PHE 10 21.996 9.028 -6.885
81 HE2 PHE 10 HE2 PHE 10 25.320 7.304 -4.782
82 HZ PHE 10 HZ PHE 10 24.426 8.559 -6.724
83 HA PRO 11 HA PRO 11 19.510 2.028 -2.748
84 HB2 PRO 11 1HB PRO 11 21.765 0.747 -3.476
85 HB3 PRO 11 2HB PRO 11 20.563 1.287 -4.663
86 HG2 PRO 11 1HG PRO 11 23.171 2.507 -3.931
87 HG3 PRO 11 2HG PRO 11 22.397 2.358 -5.519
88 HD2 PRO 11 1HD PRO 11 22.367 4.660 -3.983
89 HD3 PRO 11 2HD PRO 11 21.182 4.282 -5.251
90 HA PRO 12 HA PRO 12 21.687 3.043 1.192
91 HB2 PRO 12 1HB PRO 12 20.385 1.105 2.728
92 HB3 PRO 12 2HB PRO 12 19.835 2.773 2.484
93 HG2 PRO 12 1HG PRO 12 18.968 0.282 1.122
94 HG3 PRO 12 2HG PRO 12 18.015 1.690 1.628
95 HD2 PRO 12 1HD PRO 12 18.689 1.337 -0.949
96 HD3 PRO 12 2HD PRO 12 18.640 2.961 -0.224
97 H THR 13 H THR 13 20.906 -0.442 0.953
98 HA THR 13 HA THR 13 23.205 -1.286 2.295
99 HB THR 13 HB THR 13 22.677 -3.522 1.452
100 HG1 THR 13 HG1 THR 13 21.063 -2.015 -0.304
101 HG21 THR 13 1HG2 THR 13 20.218 -1.879 2.121
102 HG22 THR 13 2HG2 THR 13 21.331 -2.586 3.291
103 HG23 THR 13 3HG2 THR 13 20.351 -3.632 2.264
104 H SER 14 H SER 14 23.065 -0.066 -0.900
105 HA SER 14 HA SER 14 25.072 -1.887 -1.993
106 HB2 SER 14 1HB SER 14 23.843 0.589 -3.234
107 HB3 SER 14 2HB SER 14 24.816 -0.622 -4.058
108 HG SER 14 HG SER 14 23.103 -2.119 -3.159
109 H ILE 15 H ILE 15 24.701 1.569 -1.334
110 HA ILE 15 HA ILE 15 27.419 2.294 -1.654
111 HB ILE 15 HB ILE 15 25.391 3.524 0.230
112 HG12 ILE 15 1HG1 ILE 15 24.471 3.420 -2.045
113 HG13 ILE 15 2HG1 ILE 15 24.884 5.078 -1.624
114 HG21 ILE 15 1HG2 ILE 15 27.627 4.312 0.672
115 HG22 ILE 15 2HG2 ILE 15 26.771 5.580 -0.205
116 HG23 ILE 15 3HG2 ILE 15 27.933 4.556 -1.047
117 HD11 ILE 15 1HD1 ILE 15 26.549 3.200 -3.331
118 HD12 ILE 15 2HD1 ILE 15 27.028 4.834 -2.871
119 HD13 ILE 15 3HD1 ILE 15 25.624 4.586 -3.903
120 H LEU 16 H LEU 16 25.540 1.079 1.098
121 HA LEU 16 HA LEU 16 27.566 1.370 3.064
122 HB2 LEU 16 1HB LEU 16 25.267 -0.590 2.883
123 HB3 LEU 16 2HB LEU 16 26.269 -0.353 4.315
124 HG LEU 16 HG LEU 16 24.743 1.886 2.963
125 HD11 LEU 16 1HD1 LEU 16 23.079 0.379 3.798
126 HD12 LEU 16 2HD1 LEU 16 23.242 1.648 5.011
127 HD13 LEU 16 3HD1 LEU 16 23.999 0.077 5.272
128 HD21 LEU 16 1HD2 LEU 16 25.112 2.834 5.354
129 HD22 LEU 16 2HD2 LEU 16 26.488 2.817 4.252
130 HD23 LEU 16 3HD2 LEU 16 26.343 1.580 5.501
131 H LEU 17 H LEU 17 26.875 -1.172 0.711
132 HA LEU 17 HA LEU 17 28.531 -3.172 1.851
133 HB2 LEU 17 1HB LEU 17 26.742 -3.501 0.090
134 HB3 LEU 17 2HB LEU 17 27.881 -2.845 -1.084
135 HG LEU 17 HG LEU 17 28.787 -5.074 0.709
136 HD11 LEU 17 1HD1 LEU 17 27.900 -6.748 -0.811
137 HD12 LEU 17 2HD1 LEU 17 27.227 -5.497 -1.856
138 HD13 LEU 17 3HD1 LEU 17 26.563 -5.749 -0.242
139 HD21 LEU 17 1HD2 LEU 17 29.890 -5.629 -1.606
140 HD22 LEU 17 2HD2 LEU 17 30.524 -4.288 -0.654
141 HD23 LEU 17 3HD2 LEU 17 29.446 -3.972 -2.013
142 H LEU 18 H LEU 18 29.098 -0.766 -0.692
143 HA LEU 18 HA LEU 18 31.750 -1.472 -1.301
144 HB2 LEU 18 1HB LEU 18 30.351 0.095 -2.644
145 HB3 LEU 18 2HB LEU 18 30.527 1.299 -1.367
146 HG LEU 18 HG LEU 18 33.044 1.056 -1.640
147 HD11 LEU 18 1HD1 LEU 18 33.634 0.194 -4.004
148 HD12 LEU 18 2HD1 LEU 18 32.059 -0.597 -3.968
149 HD13 LEU 18 3HD1 LEU 18 33.282 -1.014 -2.769
150 HD21 LEU 18 1HD2 LEU 18 32.061 3.012 -2.565
151 HD22 LEU 18 2HD2 LEU 18 31.255 2.100 -3.842
152 HD23 LEU 18 3HD2 LEU 18 33.004 2.325 -3.886
153 H LEU 19 H LEU 19 30.408 0.766 1.106
154 HA LEU 19 HA LEU 19 32.868 1.750 2.081
155 HB2 LEU 19 1HB LEU 19 30.206 1.416 3.479
156 HB3 LEU 19 2HB LEU 19 31.567 2.332 4.126
157 HG LEU 19 HG LEU 19 30.320 2.889 1.423
158 HD11 LEU 19 1HD1 LEU 19 28.602 3.403 2.986
159 HD12 LEU 19 2HD1 LEU 19 29.415 4.939 2.690
160 HD13 LEU 19 3HD1 LEU 19 29.754 4.032 4.163
161 HD21 LEU 19 1HD2 LEU 19 32.470 3.822 1.418
162 HD22 LEU 19 2HD2 LEU 19 32.430 4.166 3.147
163 HD23 LEU 19 3HD2 LEU 19 31.493 5.157 2.028
164 H ALA 20 H ALA 20 31.001 -1.142 2.900
165 HA ALA 20 HA ALA 20 32.376 -1.796 5.279
166 HB1 ALA 20 1HB ALA 20 31.264 -3.856 5.187
167 HB2 ALA 20 2HB ALA 20 31.245 -3.875 3.423
168 HB3 ALA 20 3HB ALA 20 30.181 -2.779 4.306
169 H CYS 21 H CYS 21 32.879 -2.840 1.916
170 HA CYS 21 HA CYS 21 34.951 -4.680 2.474
171 HB2 CYS 21 1HB CYS 21 34.325 -3.120 -0.044
172 HB3 CYS 21 2HB CYS 21 35.495 -4.437 0.047
173 HG CYS 21 HG CYS 21 32.741 -5.255 1.087
174 H ILE 22 H ILE 22 35.065 -1.300 1.354
175 HA ILE 22 HA ILE 22 37.877 -1.160 1.208
176 HB ILE 22 HB ILE 22 36.358 0.437 0.098
177 HG12 ILE 22 1HG1 ILE 22 37.689 2.501 0.721
178 HG13 ILE 22 2HG1 ILE 22 38.436 1.543 2.000
179 HG21 ILE 22 1HG2 ILE 22 35.934 1.476 2.913
180 HG22 ILE 22 2HG2 ILE 22 34.712 0.770 1.855
181 HG23 ILE 22 3HG2 ILE 22 35.443 2.321 1.446
182 HD11 ILE 22 1HD1 ILE 22 38.416 0.618 -0.874
183 HD12 ILE 22 2HD1 ILE 22 39.433 0.047 0.448
184 HD13 ILE 22 3HD1 ILE 22 39.696 1.651 -0.237
185 H PHE 23 H PHE 23 35.680 -0.690 3.917
186 HA PHE 23 HA PHE 23 37.438 0.690 5.636
187 HB2 PHE 23 1HB PHE 23 34.991 0.465 5.954
188 HB3 PHE 23 2HB PHE 23 35.212 -1.233 6.318
189 HD1 PHE 23 HD1 PHE 23 36.047 2.211 7.468
190 HD2 PHE 23 HD2 PHE 23 35.747 -1.946 8.511
191 HE1 PHE 23 HE1 PHE 23 36.358 2.789 9.860
192 HE2 PHE 23 HE2 PHE 23 36.061 -1.369 10.902
193 HZ PHE 23 HZ PHE 23 36.366 0.998 11.578
194 H LEU 24 H LEU 24 36.675 -2.783 5.378
195 HA LEU 24 HA LEU 24 38.366 -3.590 7.496
196 HB2 LEU 24 1HB LEU 24 37.114 -5.021 5.175
197 HB3 LEU 24 2HB LEU 24 38.276 -5.854 6.208
198 HG LEU 24 HG LEU 24 36.814 -4.904 8.165
199 HD11 LEU 24 1HD1 LEU 24 35.395 -3.461 6.798
200 HD12 LEU 24 2HD1 LEU 24 34.414 -4.740 7.515
201 HD13 LEU 24 3HD1 LEU 24 34.893 -4.841 5.820
202 HD21 LEU 24 1HD2 LEU 24 35.857 -7.142 6.352
203 HD22 LEU 24 2HD2 LEU 24 35.378 -6.926 8.035
204 HD23 LEU 24 3HD2 LEU 24 37.057 -7.293 7.636
205 H ILE 25 H ILE 25 38.915 -3.465 3.984
206 HA ILE 25 HA ILE 25 41.478 -4.661 4.050
207 HB ILE 25 HB ILE 25 40.372 -2.698 2.030
208 HG12 ILE 25 1HG1 ILE 25 38.887 -4.622 2.314
209 HG13 ILE 25 2HG1 ILE 25 39.717 -4.720 0.768
210 HG21 ILE 25 1HG2 ILE 25 42.748 -2.938 1.718
211 HG22 ILE 25 2HG2 ILE 25 41.953 -3.921 0.488
212 HG23 ILE 25 3HG2 ILE 25 42.650 -4.689 1.914
213 HD11 ILE 25 1HD1 ILE 25 39.764 -6.570 3.016
214 HD12 ILE 25 2HD1 ILE 25 41.397 -6.112 2.538
215 HD13 ILE 25 3HD1 ILE 25 40.298 -6.816 1.356
216 H LYS 26 H LYS 26 40.469 -1.256 4.225
217 HA LYS 26 HA LYS 26 43.010 -0.112 3.900
218 HB2 LYS 26 1HB LYS 26 40.849 1.126 3.783
219 HB3 LYS 26 2HB LYS 26 40.711 0.982 5.535
220 HG2 LYS 26 1HG LYS 26 42.892 2.155 5.777
221 HG3 LYS 26 2HG LYS 26 42.948 2.365 4.027
222 HD2 LYS 26 1HD LYS 26 40.756 3.576 4.157
223 HD3 LYS 26 2HD LYS 26 40.857 3.480 5.916
224 HE2 LYS 26 1HE LYS 26 43.122 4.620 5.734
225 HE3 LYS 26 2HE LYS 26 42.742 4.922 4.038
226 HZ1 LYS 26 1HZ LYS 26 40.577 5.896 4.970
227 HZ2 LYS 26 2HZ LYS 26 41.997 6.818 5.097
228 HZ3 LYS 26 3HZ LYS 26 41.406 5.972 6.448
229 H ILE 27 H ILE 27 41.302 -1.190 6.817
230 HA ILE 27 HA ILE 27 43.204 -0.162 8.657
231 HB ILE 27 HB ILE 27 41.285 -2.479 9.013
232 HG12 ILE 27 1HG1 ILE 27 40.965 0.440 9.764
233 HG13 ILE 27 2HG1 ILE 27 40.274 -0.273 8.308
234 HG21 ILE 27 1HG2 ILE 27 43.113 -2.321 10.723
235 HG22 ILE 27 2HG2 ILE 27 41.511 -2.027 11.398
236 HG23 ILE 27 3HG2 ILE 27 42.593 -0.672 11.072
237 HD11 ILE 27 1HD1 ILE 27 39.716 -1.238 11.129
238 HD12 ILE 27 2HD1 ILE 27 38.971 -1.844 9.649
239 HD13 ILE 27 3HD1 ILE 27 38.648 -0.198 10.189
240 H LEU 28 H LEU 28 42.801 -3.415 7.248
241 HA LEU 28 HA LEU 28 44.840 -4.647 8.754
242 HB2 LEU 28 1HB LEU 28 43.835 -5.362 5.989
243 HB3 LEU 28 2HB LEU 28 44.762 -6.420 7.052
244 HG LEU 28 HG LEU 28 42.068 -5.221 7.756
245 HD11 LEU 28 1HD1 LEU 28 42.873 -7.929 6.674
246 HD12 LEU 28 2HD1 LEU 28 41.683 -6.808 6.011
247 HD13 LEU 28 3HD1 LEU 28 41.346 -7.662 7.516
248 HD21 LEU 28 1HD2 LEU 28 42.282 -7.194 9.468
249 HD22 LEU 28 2HD2 LEU 28 43.142 -5.688 9.791
250 HD23 LEU 28 3HD2 LEU 28 44.008 -7.073 9.125
251 H ALA 29 H ALA 29 44.917 -3.079 5.578
252 HA ALA 29 HA ALA 29 47.634 -3.710 5.020
253 HB1 ALA 29 1HB ALA 29 47.351 -1.714 3.389
254 HB2 ALA 29 2HB ALA 29 45.664 -1.735 3.903
255 HB3 ALA 29 3HB ALA 29 46.368 -3.156 3.131
256 H ALA 30 H ALA 30 46.052 -0.965 6.581
257 HA ALA 30 HA ALA 30 46.883 0.931 7.581
258 HB1 ALA 30 1HB ALA 30 49.334 -0.668 8.257
259 HB2 ALA 30 2HB ALA 30 47.772 -1.057 8.981
260 HB3 ALA 30 3HB ALA 30 48.488 0.535 9.232
261 H SER 31 H SER 31 47.864 0.281 4.707
262 HA SER 31 HA SER 31 50.501 1.131 4.362
263 HB2 SER 31 1HB SER 31 48.165 1.629 2.502
264 HB3 SER 31 2HB SER 31 49.870 1.641 2.064
265 HG SER 31 HG SER 31 49.966 -0.518 2.382
266 H ALA 32 H ALA 32 47.522 3.017 4.700
267 HA ALA 32 HA ALA 32 48.561 5.519 3.943
268 HB1 ALA 32 1HB ALA 32 46.104 4.717 4.489
269 HB2 ALA 32 2HB ALA 32 46.567 6.407 4.702
270 HB3 ALA 32 3HB ALA 32 46.496 5.328 6.096
271 H LEU 33 H LEU 33 48.293 4.012 7.168
272 HA LEU 33 HA LEU 33 49.289 6.199 8.631
273 HB2 LEU 33 1HB LEU 33 48.121 4.227 9.615
274 HB3 LEU 33 2HB LEU 33 49.569 3.264 9.319
275 HG LEU 33 HG LEU 33 50.861 4.969 10.678
276 HD11 LEU 33 1HD1 LEU 33 49.470 6.884 10.654
277 HD12 LEU 33 2HD1 LEU 33 49.299 6.254 12.293
278 HD13 LEU 33 3HD1 LEU 33 48.038 5.954 11.097
279 HD21 LEU 33 1HD2 LEU 33 50.105 2.794 11.609
280 HD22 LEU 33 2HD2 LEU 33 48.582 3.542 12.088
281 HD23 LEU 33 3HD2 LEU 33 50.092 4.064 12.833
282 H TRP 34 H TRP 34 50.944 3.480 7.080
283 HA TRP 34 HA TRP 34 53.509 3.948 8.151
284 HB2 TRP 34 1HB TRP 34 52.759 1.886 6.948
285 HB3 TRP 34 2HB TRP 34 52.842 2.788 5.447
286 HD1 TRP 34 HD1 TRP 34 55.114 2.902 4.270
287 HE1 TRP 34 HE1 TRP 34 57.497 2.105 4.843
288 HE3 TRP 34 HE3 TRP 34 54.437 1.535 9.143
289 HZ2 TRP 34 HZ2 TRP 34 58.930 1.029 7.079
290 HZ3 TRP 34 HZ3 TRP 34 56.320 0.629 10.468
291 HH2 TRP 34 HH2 TRP 34 58.564 0.373 9.447
292 H ALA 35 H ALA 35 51.990 5.082 5.150
293 HA ALA 35 HA ALA 35 54.245 6.406 4.101
294 HB1 ALA 35 1HB ALA 35 52.062 5.822 2.910
295 HB2 ALA 35 2HB ALA 35 52.760 7.401 2.544
296 HB3 ALA 35 3HB ALA 35 51.392 7.276 3.652
297 H ALA 36 H ALA 36 51.635 7.545 6.211
298 HA ALA 36 HA ALA 36 52.307 10.270 6.234
299 HB1 ALA 36 1HB ALA 36 51.207 8.815 8.631
300 HB2 ALA 36 2HB ALA 36 50.225 9.101 7.194
301 HB3 ALA 36 3HB ALA 36 50.880 10.465 8.100
302 H ALA 37 H ALA 37 53.542 7.562 8.140
303 HA ALA 37 HA ALA 37 55.015 9.074 10.022
304 HB1 ALA 37 1HB ALA 37 56.237 6.988 10.441
305 HB2 ALA 37 2HB ALA 37 55.555 6.288 8.973
306 HB3 ALA 37 3HB ALA 37 54.502 6.691 10.329
307 H TRP 38 H TRP 38 55.777 7.980 6.760
308 HA TRP 38 HA TRP 38 58.552 8.218 6.794
309 HB2 TRP 38 1HB TRP 38 57.196 7.253 4.949
310 HB3 TRP 38 2HB TRP 38 56.707 8.876 4.499
311 HD1 TRP 38 HD1 TRP 38 59.787 6.598 4.624
312 HE1 TRP 38 HE1 TRP 38 61.529 7.484 2.945
313 HE3 TRP 38 HE3 TRP 38 57.498 10.929 3.185
314 HZ2 TRP 38 HZ2 TRP 38 61.903 9.737 1.214
315 HZ3 TRP 38 HZ3 TRP 38 58.565 12.423 1.524
316 HH2 TRP 38 HH2 TRP 38 60.760 11.835 0.537
317 H HIS 39 H HIS 39 56.084 10.718 6.359
318 HA HIS 39 HA HIS 39 58.240 12.757 6.376
319 HB2 HIS 39 1HB HIS 39 56.874 14.133 4.924
320 HB3 HIS 39 2HB HIS 39 57.196 12.585 4.166
321 HD1 HIS 39 HD1 HIS 39 55.141 10.804 4.335
322 HD2 HIS 39 HD2 HIS 39 54.196 14.795 5.078
323 HE1 HIS 39 HE1 HIS 39 52.627 10.996 4.114
324 H GLY 40 H GLY 40 57.856 14.651 7.509
325 HA2 GLY 40 1HA GLY 40 55.373 14.822 9.086
326 HA3 GLY 40 2HA GLY 40 56.925 14.870 9.918
327 H GLN 41 H GLN 41 57.896 16.792 10.166
328 HA GLN 41 HA GLN 41 56.798 19.106 8.691
329 HB2 GLN 41 1HB GLN 41 58.323 18.957 11.303
330 HB3 GLN 41 2HB GLN 41 57.803 20.454 10.526
331 HG2 GLN 41 1HG GLN 41 55.465 19.758 10.676
332 HG3 GLN 41 2HG GLN 41 55.946 18.211 11.368
333 HE21 GLN 41 1HE2 GLN 41 54.198 20.003 12.763
334 HE22 GLN 41 2HE2 GLN 41 55.011 20.574 14.140
335 H LYS 42 H LYS 42 58.170 20.557 7.662
336 HA LYS 42 HA LYS 42 60.497 19.437 6.508
337 HB2 LYS 42 1HB LYS 42 60.803 21.654 5.471
338 HB3 LYS 42 2HB LYS 42 59.139 21.091 5.323
339 HG2 LYS 42 1HG LYS 42 58.724 22.416 7.522
340 HG3 LYS 42 2HG LYS 42 60.246 23.223 7.142
341 HD2 LYS 42 1HD LYS 42 59.403 24.197 5.198
342 HD3 LYS 42 2HD LYS 42 58.133 22.986 5.022
343 HE2 LYS 42 1HE LYS 42 56.955 24.871 5.785
344 HE3 LYS 42 2HE LYS 42 57.221 23.945 7.263
345 HZ1 LYS 42 1HZ LYS 42 57.774 26.302 7.522
346 HZ2 LYS 42 2HZ LYS 42 58.951 26.162 6.304
347 HZ3 LYS 42 3HZ LYS 42 59.127 25.306 7.763
348 HA PRO 43 HA PRO 43 63.396 20.935 9.570
349 HB2 PRO 43 1HB PRO 43 65.730 20.326 8.390
350 HB3 PRO 43 2HB PRO 43 64.598 19.054 8.891
351 HG2 PRO 43 1HG PRO 43 65.202 20.080 6.188
352 HG3 PRO 43 2HG PRO 43 64.706 18.459 6.703
353 HD2 PRO 43 1HD PRO 43 63.030 20.476 5.603
354 HD3 PRO 43 2HD PRO 43 62.520 18.927 6.306
355 H GLY 44 H GLY 44 62.332 22.973 7.733
356 HA2 GLY 44 1HA GLY 44 64.581 24.533 6.785
357 HA3 GLY 44 2HA GLY 44 62.882 24.988 6.705
358 H THR 45 H THR 45 64.333 27.020 7.344
359 HA THR 45 HA THR 45 64.166 27.286 10.292
360 HB THR 45 HB THR 45 66.131 28.681 8.459
361 HG1 THR 45 HG1 THR 45 66.548 26.446 8.698
362 HG21 THR 45 1HG2 THR 45 65.542 28.733 11.404
363 HG22 THR 45 2HG2 THR 45 65.876 30.077 10.312
364 HG23 THR 45 3HG2 THR 45 67.187 29.022 10.838
365 H HIS 46 H HIS 46 63.166 29.086 11.077
366 HA HIS 46 HA HIS 46 61.276 30.429 9.505
367 HB2 HIS 46 1HB HIS 46 62.524 31.247 12.131
368 HB3 HIS 46 2HB HIS 46 61.107 32.000 11.424
369 HD1 HIS 46 HD1 HIS 46 62.260 28.929 13.216
370 HD2 HIS 46 HD2 HIS 46 58.724 30.421 11.590
371 HE1 HIS 46 HE1 HIS 46 60.396 27.448 14.075
Start of MODEL 18
1 H ARG 1 3H ARG 1 13.535 -5.457 -16.384
2 HA ARG 1 HA ARG 1 15.833 -6.279 -15.358
3 HB2 ARG 1 1HB ARG 1 16.527 -7.161 -17.591
4 HB3 ARG 1 2HB ARG 1 16.427 -5.521 -18.234
5 HG2 ARG 1 1HG ARG 1 18.090 -4.789 -16.524
6 HG3 ARG 1 2HG ARG 1 18.247 -6.466 -16.000
7 HD2 ARG 1 1HD ARG 1 18.812 -5.445 -18.798
8 HD3 ARG 1 2HD ARG 1 20.033 -5.843 -17.593
9 HE ARG 1 HE ARG 1 18.188 -8.000 -18.166
10 HH11 ARG 1 1HH1 ARG 1 21.226 -6.510 -19.103
11 HH12 ARG 1 2HH1 ARG 1 21.826 -7.960 -19.835
12 HH21 ARG 1 1HH2 ARG 1 19.014 -9.836 -19.124
13 HH22 ARG 1 2HH2 ARG 1 20.589 -9.819 -19.847
14 H SER 2 H SER 2 16.941 -4.512 -14.529
15 HA SER 2 HA SER 2 17.225 -2.370 -13.818
16 HB2 SER 2 1HB SER 2 16.520 -1.806 -16.702
17 HB3 SER 2 2HB SER 2 17.070 -0.576 -15.572
18 HG SER 2 HG SER 2 18.498 -2.984 -15.904
19 H LEU 3 H LEU 3 14.597 -1.460 -16.053
20 HA LEU 3 HA LEU 3 13.159 -0.030 -14.134
21 HB2 LEU 3 1HB LEU 3 12.849 0.157 -16.600
22 HB3 LEU 3 2HB LEU 3 12.032 -1.407 -16.585
23 HG LEU 3 HG LEU 3 10.425 -0.427 -14.877
24 HD11 LEU 3 1HD1 LEU 3 10.365 2.183 -15.162
25 HD12 LEU 3 2HD1 LEU 3 12.067 1.990 -15.581
26 HD13 LEU 3 3HD1 LEU 3 11.483 1.464 -14.002
27 HD21 LEU 3 1HD2 LEU 3 9.234 0.976 -16.646
28 HD22 LEU 3 2HD2 LEU 3 9.664 -0.661 -17.140
29 HD23 LEU 3 3HD2 LEU 3 10.639 0.706 -17.678
30 H LEU 4 H LEU 4 12.836 -3.406 -15.181
31 HA LEU 4 HA LEU 4 10.544 -4.035 -13.657
32 HB2 LEU 4 1HB LEU 4 11.473 -5.448 -15.489
33 HB3 LEU 4 2HB LEU 4 12.812 -5.886 -14.428
34 HG LEU 4 HG LEU 4 11.080 -6.692 -12.754
35 HD11 LEU 4 1HD1 LEU 4 8.872 -7.314 -14.005
36 HD12 LEU 4 2HD1 LEU 4 9.330 -6.014 -15.108
37 HD13 LEU 4 3HD1 LEU 4 9.069 -5.670 -13.398
38 HD21 LEU 4 1HD2 LEU 4 11.269 -7.982 -15.492
39 HD22 LEU 4 2HD2 LEU 4 10.595 -8.788 -14.075
40 HD23 LEU 4 3HD2 LEU 4 12.291 -8.306 -14.092
41 H GLU 5 H GLU 5 13.999 -4.136 -12.888
42 HA GLU 5 HA GLU 5 13.776 -5.414 -10.379
43 HB2 GLU 5 1HB GLU 5 15.859 -3.478 -11.411
44 HB3 GLU 5 2HB GLU 5 16.023 -4.448 -9.946
45 HG2 GLU 5 1HG GLU 5 15.586 -5.554 -12.734
46 HG3 GLU 5 2HG GLU 5 17.129 -5.520 -11.890
47 H GLY 6 H GLY 6 13.475 -2.028 -11.334
48 HA2 GLY 6 1HA GLY 6 12.491 -0.279 -10.168
49 HA3 GLY 6 2HA GLY 6 12.219 -1.375 -8.815
50 H GLU 7 H GLU 7 15.273 -0.609 -10.442
51 HA GLU 7 HA GLU 7 16.752 -0.385 -8.060
52 HB2 GLU 7 1HB GLU 7 17.720 -0.812 -10.317
53 HB3 GLU 7 2HB GLU 7 17.386 0.867 -10.742
54 HG2 GLU 7 1HG GLU 7 19.675 0.774 -10.022
55 HG3 GLU 7 2HG GLU 7 18.761 1.553 -8.736
56 H ILE 8 H ILE 8 17.352 1.326 -6.806
57 HA ILE 8 HA ILE 8 16.009 3.912 -7.347
58 HB ILE 8 HB ILE 8 16.255 4.297 -4.876
59 HG12 ILE 8 1HG1 ILE 8 17.920 2.350 -4.649
60 HG13 ILE 8 2HG1 ILE 8 16.738 2.579 -3.377
61 HG21 ILE 8 1HG2 ILE 8 14.094 3.915 -5.749
62 HG22 ILE 8 2HG2 ILE 8 14.235 2.866 -4.338
63 HG23 ILE 8 3HG2 ILE 8 14.396 2.191 -5.960
64 HD11 ILE 8 1HD1 ILE 8 17.279 0.197 -4.686
65 HD12 ILE 8 2HD1 ILE 8 15.795 0.736 -5.466
66 HD13 ILE 8 3HD1 ILE 8 15.846 0.530 -3.718
67 HA PRO 9 HA PRO 9 19.861 6.001 -7.581
68 HB2 PRO 9 1HB PRO 9 19.070 7.835 -5.372
69 HB3 PRO 9 2HB PRO 9 19.580 8.213 -7.029
70 HG2 PRO 9 1HG PRO 9 17.041 8.426 -6.276
71 HG3 PRO 9 2HG PRO 9 17.488 7.873 -7.900
72 HD2 PRO 9 1HD PRO 9 16.479 6.274 -5.584
73 HD3 PRO 9 2HD PRO 9 16.202 6.042 -7.325
74 H PHE 10 H PHE 10 21.267 4.420 -6.779
75 HA PHE 10 HA PHE 10 22.793 3.477 -5.346
76 HB2 PHE 10 1HB PHE 10 22.510 6.068 -3.826
77 HB3 PHE 10 2HB PHE 10 23.865 4.956 -3.771
78 HD1 PHE 10 HD1 PHE 10 25.153 4.557 -5.990
79 HD2 PHE 10 HD2 PHE 10 22.484 7.857 -5.329
80 HE1 PHE 10 HE1 PHE 10 26.225 5.796 -7.851
81 HE2 PHE 10 HE2 PHE 10 23.558 9.097 -7.190
82 HZ PHE 10 HZ PHE 10 25.428 8.067 -8.450
83 HA PRO 11 HA PRO 11 19.387 2.195 -2.473
84 HB2 PRO 11 1HB PRO 11 20.845 -0.392 -2.624
85 HB3 PRO 11 2HB PRO 11 19.114 -0.055 -2.820
86 HG2 PRO 11 1HG PRO 11 20.671 -0.664 -4.894
87 HG3 PRO 11 2HG PRO 11 19.329 0.488 -5.032
88 HD2 PRO 11 1HD PRO 11 22.268 1.036 -4.886
89 HD3 PRO 11 2HD PRO 11 21.003 1.891 -5.797
90 HA PRO 12 HA PRO 12 21.730 2.799 1.243
91 HB2 PRO 12 1HB PRO 12 20.128 0.647 2.541
92 HB3 PRO 12 2HB PRO 12 20.380 2.330 3.045
93 HG2 PRO 12 1HG PRO 12 18.077 1.529 1.987
94 HG3 PRO 12 2HG PRO 12 18.747 3.137 1.654
95 HD2 PRO 12 1HD PRO 12 18.669 0.733 -0.119
96 HD3 PRO 12 2HD PRO 12 18.562 2.455 -0.545
97 H THR 13 H THR 13 20.883 -0.672 1.141
98 HA THR 13 HA THR 13 23.157 -1.648 2.392
99 HB THR 13 HB THR 13 21.616 -3.037 0.193
100 HG1 THR 13 HG1 THR 13 20.190 -2.320 1.737
101 HG21 THR 13 1HG2 THR 13 22.267 -5.067 1.464
102 HG22 THR 13 2HG2 THR 13 23.214 -4.060 2.558
103 HG23 THR 13 3HG2 THR 13 23.673 -4.191 0.860
104 H SER 14 H SER 14 22.932 -0.383 -0.838
105 HA SER 14 HA SER 14 24.955 -2.153 -1.950
106 HB2 SER 14 1HB SER 14 23.045 -1.301 -3.327
107 HB3 SER 14 2HB SER 14 23.698 0.326 -3.156
108 HG SER 14 HG SER 14 25.240 -0.160 -4.529
109 H ILE 15 H ILE 15 24.602 1.333 -1.427
110 HA ILE 15 HA ILE 15 27.327 1.989 -1.829
111 HB ILE 15 HB ILE 15 25.509 3.659 -1.879
112 HG12 ILE 15 1HG1 ILE 15 27.446 4.311 0.349
113 HG13 ILE 15 2HG1 ILE 15 27.944 4.207 -1.340
114 HG21 ILE 15 1HG2 ILE 15 24.537 4.473 0.225
115 HG22 ILE 15 2HG2 ILE 15 25.435 3.251 1.125
116 HG23 ILE 15 3HG2 ILE 15 24.171 2.763 -0.004
117 HD11 ILE 15 1HD1 ILE 15 26.463 5.984 -1.977
118 HD12 ILE 15 2HD1 ILE 15 27.331 6.540 -0.545
119 HD13 ILE 15 3HD1 ILE 15 25.668 5.968 -0.402
120 H LEU 16 H LEU 16 25.492 0.905 0.988
121 HA LEU 16 HA LEU 16 27.521 1.373 2.927
122 HB2 LEU 16 1HB LEU 16 25.249 -0.623 2.860
123 HB3 LEU 16 2HB LEU 16 26.273 -0.337 4.266
124 HG LEU 16 HG LEU 16 24.875 1.956 2.904
125 HD11 LEU 16 1HD1 LEU 16 23.229 0.116 3.528
126 HD12 LEU 16 2HD1 LEU 16 22.955 1.668 4.318
127 HD13 LEU 16 3HD1 LEU 16 23.727 0.352 5.203
128 HD21 LEU 16 1HD2 LEU 16 25.440 1.622 5.840
129 HD22 LEU 16 2HD2 LEU 16 25.330 3.105 4.892
130 HD23 LEU 16 3HD2 LEU 16 26.749 2.071 4.748
131 H LEU 17 H LEU 17 26.898 -1.276 0.682
132 HA LEU 17 HA LEU 17 28.597 -3.186 1.925
133 HB2 LEU 17 1HB LEU 17 26.783 -3.392 -0.013
134 HB3 LEU 17 2HB LEU 17 28.191 -3.176 -1.041
135 HG LEU 17 HG LEU 17 27.800 -5.544 -0.733
136 HD11 LEU 17 1HD1 LEU 17 29.950 -6.218 -0.172
137 HD12 LEU 17 2HD1 LEU 17 30.082 -5.058 1.149
138 HD13 LEU 17 3HD1 LEU 17 30.204 -4.509 -0.524
139 HD21 LEU 17 1HD2 LEU 17 28.187 -5.233 2.238
140 HD22 LEU 17 2HD2 LEU 17 27.533 -6.609 1.351
141 HD23 LEU 17 3HD2 LEU 17 26.586 -5.129 1.508
142 H LEU 18 H LEU 18 29.109 -0.910 -0.754
143 HA LEU 18 HA LEU 18 31.793 -1.609 -1.281
144 HB2 LEU 18 1HB LEU 18 30.188 0.892 -1.769
145 HB3 LEU 18 2HB LEU 18 31.901 0.807 -2.181
146 HG LEU 18 HG LEU 18 31.247 -1.420 -3.381
147 HD11 LEU 18 1HD1 LEU 18 28.588 -0.008 -3.067
148 HD12 LEU 18 2HD1 LEU 18 28.989 -1.663 -2.610
149 HD13 LEU 18 3HD1 LEU 18 28.889 -1.219 -4.313
150 HD21 LEU 18 1HD2 LEU 18 32.017 0.634 -4.522
151 HD22 LEU 18 2HD2 LEU 18 30.377 1.280 -4.464
152 HD23 LEU 18 3HD2 LEU 18 30.727 -0.148 -5.436
153 H LEU 19 H LEU 19 30.355 0.800 0.896
154 HA LEU 19 HA LEU 19 32.740 1.966 1.818
155 HB2 LEU 19 1HB LEU 19 30.388 2.771 2.244
156 HB3 LEU 19 2HB LEU 19 30.244 1.505 3.462
157 HG LEU 19 HG LEU 19 32.615 3.342 3.585
158 HD11 LEU 19 1HD1 LEU 19 31.383 5.015 4.810
159 HD12 LEU 19 2HD1 LEU 19 29.908 4.052 4.745
160 HD13 LEU 19 3HD1 LEU 19 30.558 4.772 3.271
161 HD21 LEU 19 1HD2 LEU 19 32.733 1.716 5.252
162 HD22 LEU 19 2HD2 LEU 19 30.983 1.640 5.445
163 HD23 LEU 19 3HD2 LEU 19 31.886 3.001 6.109
164 H ALA 20 H ALA 20 31.010 -0.943 2.863
165 HA ALA 20 HA ALA 20 32.485 -1.416 5.222
166 HB1 ALA 20 1HB ALA 20 30.335 -2.532 4.637
167 HB2 ALA 20 2HB ALA 20 31.591 -3.670 5.125
168 HB3 ALA 20 3HB ALA 20 31.192 -3.473 3.418
169 H CYS 21 H CYS 21 32.972 -2.533 1.885
170 HA CYS 21 HA CYS 21 35.083 -4.319 2.430
171 HB2 CYS 21 1HB CYS 21 34.434 -2.765 -0.085
172 HB3 CYS 21 2HB CYS 21 35.605 -4.081 0.004
173 HG CYS 21 HG CYS 21 33.359 -5.453 1.007
174 H ILE 22 H ILE 22 35.118 -0.910 1.402
175 HA ILE 22 HA ILE 22 37.934 -0.739 1.205
176 HB ILE 22 HB ILE 22 37.588 1.723 1.233
177 HG12 ILE 22 1HG1 ILE 22 34.662 0.996 1.576
178 HG13 ILE 22 2HG1 ILE 22 35.661 1.706 2.844
179 HG21 ILE 22 1HG2 ILE 22 36.511 1.763 -0.885
180 HG22 ILE 22 2HG2 ILE 22 35.523 0.354 -0.498
181 HG23 ILE 22 3HG2 ILE 22 37.254 0.168 -0.781
182 HD11 ILE 22 1HD1 ILE 22 36.102 3.661 1.396
183 HD12 ILE 22 2HD1 ILE 22 34.376 3.453 1.693
184 HD13 ILE 22 3HD1 ILE 22 35.071 2.960 0.149
185 H PHE 23 H PHE 23 35.743 -0.171 3.925
186 HA PHE 23 HA PHE 23 37.604 1.068 5.642
187 HB2 PHE 23 1HB PHE 23 35.150 0.998 5.998
188 HB3 PHE 23 2HB PHE 23 35.272 -0.713 6.356
189 HD1 PHE 23 HD1 PHE 23 36.350 2.668 7.488
190 HD2 PHE 23 HD2 PHE 23 35.818 -1.464 8.535
191 HE1 PHE 23 HE1 PHE 23 36.774 3.217 9.870
192 HE2 PHE 23 HE2 PHE 23 36.243 -0.916 10.916
193 HZ PHE 23 HZ PHE 23 36.722 1.425 11.584
194 H LEU 24 H LEU 24 36.667 -2.346 5.277
195 HA LEU 24 HA LEU 24 38.229 -3.309 7.422
196 HB2 LEU 24 1HB LEU 24 36.362 -4.559 6.345
197 HB3 LEU 24 2HB LEU 24 37.387 -4.812 4.933
198 HG LEU 24 HG LEU 24 39.088 -5.876 6.489
199 HD11 LEU 24 1HD1 LEU 24 36.789 -5.424 8.380
200 HD12 LEU 24 2HD1 LEU 24 38.510 -5.139 8.641
201 HD13 LEU 24 3HD1 LEU 24 37.883 -6.787 8.622
202 HD21 LEU 24 1HD2 LEU 24 36.332 -7.041 6.064
203 HD22 LEU 24 2HD2 LEU 24 37.632 -7.982 6.793
204 HD23 LEU 24 3HD2 LEU 24 37.806 -7.362 5.151
205 H ILE 25 H ILE 25 38.918 -3.094 3.931
206 HA ILE 25 HA ILE 25 41.386 -4.479 4.109
207 HB ILE 25 HB ILE 25 40.114 -4.260 2.013
208 HG12 ILE 25 1HG1 ILE 25 42.841 -2.991 1.707
209 HG13 ILE 25 2HG1 ILE 25 42.630 -4.688 2.142
210 HG21 ILE 25 1HG2 ILE 25 39.438 -1.890 2.299
211 HG22 ILE 25 2HG2 ILE 25 40.190 -2.186 0.734
212 HG23 ILE 25 3HG2 ILE 25 41.107 -1.396 2.014
213 HD11 ILE 25 1HD1 ILE 25 41.355 -5.091 0.097
214 HD12 ILE 25 2HD1 ILE 25 42.912 -4.374 -0.312
215 HD13 ILE 25 3HD1 ILE 25 41.454 -3.383 -0.328
216 H LYS 26 H LYS 26 40.615 -1.006 4.237
217 HA LYS 26 HA LYS 26 43.256 -0.060 4.065
218 HB2 LYS 26 1HB LYS 26 40.801 1.092 5.391
219 HB3 LYS 26 2HB LYS 26 42.334 1.956 5.289
220 HG2 LYS 26 1HG LYS 26 42.295 1.885 2.876
221 HG3 LYS 26 2HG LYS 26 40.884 0.829 2.879
222 HD2 LYS 26 1HD LYS 26 40.115 3.074 2.427
223 HD3 LYS 26 2HD LYS 26 39.618 2.660 4.067
224 HE2 LYS 26 1HE LYS 26 42.265 4.011 3.664
225 HE3 LYS 26 2HE LYS 26 40.794 4.977 3.576
226 HZ1 LYS 26 1HZ LYS 26 40.428 3.405 5.771
227 HZ2 LYS 26 2HZ LYS 26 40.892 5.039 5.780
228 HZ3 LYS 26 3HZ LYS 26 42.070 3.818 5.857
229 H ILE 27 H ILE 27 41.337 -1.103 6.857
230 HA ILE 27 HA ILE 27 43.244 -0.361 8.822
231 HB ILE 27 HB ILE 27 41.140 -2.539 8.949
232 HG12 ILE 27 1HG1 ILE 27 40.999 0.327 9.925
233 HG13 ILE 27 2HG1 ILE 27 40.352 -0.189 8.370
234 HG21 ILE 27 1HG2 ILE 27 42.682 -1.044 11.095
235 HG22 ILE 27 2HG2 ILE 27 42.763 -2.773 10.752
236 HG23 ILE 27 3HG2 ILE 27 41.285 -2.074 11.413
237 HD11 ILE 27 1HD1 ILE 27 38.601 -1.331 9.319
238 HD12 ILE 27 2HD1 ILE 27 38.853 -0.138 10.592
239 HD13 ILE 27 3HD1 ILE 27 39.512 -1.763 10.766
240 H LEU 28 H LEU 28 42.610 -3.473 7.213
241 HA LEU 28 HA LEU 28 44.509 -4.984 8.624
242 HB2 LEU 28 1HB LEU 28 43.458 -5.373 5.814
243 HB3 LEU 28 2HB LEU 28 44.331 -6.586 6.750
244 HG LEU 28 HG LEU 28 41.752 -5.283 7.664
245 HD11 LEU 28 1HD1 LEU 28 41.269 -6.616 5.702
246 HD12 LEU 28 2HD1 LEU 28 40.766 -7.539 7.118
247 HD13 LEU 28 3HD1 LEU 28 42.275 -7.937 6.296
248 HD21 LEU 28 1HD2 LEU 28 42.974 -6.098 9.547
249 HD22 LEU 28 2HD2 LEU 28 43.476 -7.551 8.682
250 HD23 LEU 28 3HD2 LEU 28 41.794 -7.355 9.176
251 H ALA 29 H ALA 29 44.873 -2.902 5.826
252 HA ALA 29 HA ALA 29 47.141 -3.768 4.610
253 HB1 ALA 29 1HB ALA 29 47.625 -1.389 4.080
254 HB2 ALA 29 2HB ALA 29 46.407 -0.910 5.262
255 HB3 ALA 29 3HB ALA 29 45.934 -1.823 3.829
256 H ALA 30 H ALA 30 47.012 -2.196 7.771
257 HA ALA 30 HA ALA 30 49.591 -3.156 8.470
258 HB1 ALA 30 1HB ALA 30 49.621 -0.172 8.290
259 HB2 ALA 30 2HB ALA 30 49.971 -1.120 6.844
260 HB3 ALA 30 3HB ALA 30 50.967 -1.311 8.288
261 H SER 31 H SER 31 47.005 -0.831 9.089
262 HA SER 31 HA SER 31 47.725 0.003 11.649
263 HB2 SER 31 1HB SER 31 44.917 -0.467 10.622
264 HB3 SER 31 2HB SER 31 45.381 0.577 11.961
265 HG SER 31 HG SER 31 46.493 1.875 10.513
266 H ALA 32 H ALA 32 45.990 -2.913 10.636
267 HA ALA 32 HA ALA 32 45.154 -3.720 13.216
268 HB1 ALA 32 1HB ALA 32 45.582 -5.208 10.629
269 HB2 ALA 32 2HB ALA 32 44.059 -4.741 11.385
270 HB3 ALA 32 3HB ALA 32 45.041 -6.022 12.096
271 H LEU 33 H LEU 33 48.013 -4.593 11.272
272 HA LEU 33 HA LEU 33 49.032 -6.535 13.033
273 HB2 LEU 33 1HB LEU 33 49.782 -6.196 10.682
274 HB3 LEU 33 2HB LEU 33 50.607 -4.723 11.191
275 HG LEU 33 HG LEU 33 51.861 -6.140 12.887
276 HD11 LEU 33 1HD1 LEU 33 51.936 -8.620 12.097
277 HD12 LEU 33 2HD1 LEU 33 50.377 -8.267 11.352
278 HD13 LEU 33 3HD1 LEU 33 50.578 -8.103 13.096
279 HD21 LEU 33 1HD2 LEU 33 52.175 -6.772 9.935
280 HD22 LEU 33 2HD2 LEU 33 53.400 -7.082 11.165
281 HD23 LEU 33 3HD2 LEU 33 52.918 -5.426 10.797
282 H TRP 34 H TRP 34 49.505 -3.030 12.901
283 HA TRP 34 HA TRP 34 51.612 -2.904 14.784
284 HB2 TRP 34 1HB TRP 34 50.941 -1.092 13.191
285 HB3 TRP 34 2HB TRP 34 49.547 -0.782 14.208
286 HD1 TRP 34 HD1 TRP 34 49.875 0.815 16.179
287 HE1 TRP 34 HE1 TRP 34 51.900 2.006 17.238
288 HE3 TRP 34 HE3 TRP 34 53.671 -1.491 13.659
289 HZ2 TRP 34 HZ2 TRP 34 54.758 1.985 17.043
290 HZ3 TRP 34 HZ3 TRP 34 56.028 -0.889 14.113
291 HH2 TRP 34 HH2 TRP 34 56.579 0.843 15.797
292 H ALA 35 H ALA 35 48.094 -2.495 15.159
293 HA ALA 35 HA ALA 35 48.143 -1.877 17.911
294 HB1 ALA 35 1HB ALA 35 45.976 -3.143 16.221
295 HB2 ALA 35 2HB ALA 35 46.171 -1.428 16.582
296 HB3 ALA 35 3HB ALA 35 45.740 -2.556 17.867
297 H ALA 36 H ALA 36 47.804 -4.969 16.213
298 HA ALA 36 HA ALA 36 47.333 -6.584 18.467
299 HB1 ALA 36 1HB ALA 36 48.456 -7.137 15.731
300 HB2 ALA 36 2HB ALA 36 46.872 -7.561 16.380
301 HB3 ALA 36 3HB ALA 36 48.310 -8.411 16.942
302 H ALA 37 H ALA 37 50.327 -5.319 17.117
303 HA ALA 37 HA ALA 37 52.151 -7.113 18.261
304 HB1 ALA 37 1HB ALA 37 52.499 -4.148 17.752
305 HB2 ALA 37 2HB ALA 37 52.787 -5.435 16.580
306 HB3 ALA 37 3HB ALA 37 53.802 -5.306 18.017
307 H TRP 38 H TRP 38 50.692 -4.158 19.592
308 HA TRP 38 HA TRP 38 52.172 -4.162 22.014
309 HB2 TRP 38 1HB TRP 38 49.520 -2.950 21.258
310 HB3 TRP 38 2HB TRP 38 50.252 -2.727 22.835
311 HD1 TRP 38 HD1 TRP 38 50.197 -1.350 19.404
312 HE1 TRP 38 HE1 TRP 38 51.994 0.478 19.140
313 HE3 TRP 38 HE3 TRP 38 52.881 -2.132 23.676
314 HZ2 TRP 38 HZ2 TRP 38 54.275 1.478 20.556
315 HZ3 TRP 38 HZ3 TRP 38 54.856 -0.733 24.194
316 HH2 TRP 38 HH2 TRP 38 55.558 1.069 22.643
317 H HIS 39 H HIS 39 48.951 -5.421 21.179
318 HA HIS 39 HA HIS 39 49.060 -7.101 23.618
319 HB2 HIS 39 1HB HIS 39 47.444 -5.252 23.875
320 HB3 HIS 39 2HB HIS 39 46.622 -5.780 22.419
321 HD1 HIS 39 HD1 HIS 39 47.617 -7.310 25.777
322 HD2 HIS 39 HD2 HIS 39 44.505 -7.436 23.005
323 HE1 HIS 39 HE1 HIS 39 45.849 -8.836 26.754
324 H GLY 40 H GLY 40 48.961 -9.209 23.194
325 HA2 GLY 40 1HA GLY 40 47.276 -10.247 21.080
326 HA3 GLY 40 2HA GLY 40 49.001 -10.449 20.789
327 H GLN 41 H GLN 41 46.467 -12.135 21.730
328 HA GLN 41 HA GLN 41 47.958 -13.711 23.753
329 HB2 GLN 41 1HB GLN 41 44.970 -13.374 23.404
330 HB3 GLN 41 2HB GLN 41 45.733 -14.484 24.543
331 HG2 GLN 41 1HG GLN 41 46.834 -12.619 25.676
332 HG3 GLN 41 2HG GLN 41 46.169 -11.485 24.504
333 HE21 GLN 41 1HE2 GLN 41 45.630 -11.234 27.308
334 HE22 GLN 41 2HE2 GLN 41 43.979 -11.536 27.559
335 H LYS 42 H LYS 42 47.786 -15.996 23.613
336 HA LYS 42 HA LYS 42 46.897 -17.016 20.976
337 HB2 LYS 42 1HB LYS 42 49.379 -17.783 22.532
338 HB3 LYS 42 2HB LYS 42 48.815 -18.587 21.067
339 HG2 LYS 42 1HG LYS 42 48.867 -16.260 19.972
340 HG3 LYS 42 2HG LYS 42 49.813 -15.753 21.372
341 HD2 LYS 42 1HD LYS 42 50.538 -18.093 19.587
342 HD3 LYS 42 2HD LYS 42 51.232 -16.478 19.438
343 HE2 LYS 42 1HE LYS 42 51.965 -16.651 21.841
344 HE3 LYS 42 2HE LYS 42 51.435 -18.333 21.824
345 HZ1 LYS 42 1HZ LYS 42 53.646 -17.070 20.345
346 HZ2 LYS 42 2HZ LYS 42 52.917 -18.480 19.740
347 HZ3 LYS 42 3HZ LYS 42 53.653 -18.491 21.271
348 HA PRO 43 HA PRO 43 44.989 -19.596 24.284
349 HB2 PRO 43 1HB PRO 43 42.397 -19.428 23.531
350 HB3 PRO 43 2HB PRO 43 43.177 -18.162 24.503
351 HG2 PRO 43 1HG PRO 43 42.488 -18.178 21.626
352 HG3 PRO 43 2HG PRO 43 42.511 -16.836 22.780
353 HD2 PRO 43 1HD PRO 43 44.519 -17.406 20.905
354 HD3 PRO 43 2HD PRO 43 44.680 -16.327 22.305
355 H GLY 44 H GLY 44 43.753 -19.530 20.927
356 HA2 GLY 44 1HA GLY 44 43.465 -22.426 20.892
357 HA3 GLY 44 2HA GLY 44 43.047 -21.314 19.590
358 H THR 45 H THR 45 44.193 -23.292 18.519
359 HA THR 45 HA THR 45 47.080 -22.660 18.258
360 HB THR 45 HB THR 45 45.770 -25.343 17.768
361 HG1 THR 45 HG1 THR 45 47.255 -24.394 19.991
362 HG21 THR 45 1HG2 THR 45 48.049 -24.537 16.701
363 HG22 THR 45 2HG2 THR 45 47.912 -26.154 17.388
364 HG23 THR 45 3HG2 THR 45 48.677 -24.864 18.316
365 H HIS 46 H HIS 46 47.863 -22.322 16.236
366 HA HIS 46 HA HIS 46 47.834 -21.791 14.003
367 HB2 HIS 46 1HB HIS 46 45.894 -24.104 13.982
368 HB3 HIS 46 2HB HIS 46 46.529 -23.342 12.536
369 HD1 HIS 46 HD1 HIS 46 47.306 -25.853 15.114
370 HD2 HIS 46 HD2 HIS 46 49.416 -23.746 12.201
371 HE1 HIS 46 HE1 HIS 46 49.523 -27.042 14.837
Start of MODEL 19
1 H ARG 1 3H ARG 1 5.470 3.417 6.707
2 HA ARG 1 HA ARG 1 5.832 5.503 6.090
3 HB2 ARG 1 1HB ARG 1 7.489 5.628 7.965
4 HB3 ARG 1 2HB ARG 1 8.748 5.127 6.835
5 HG2 ARG 1 1HG ARG 1 8.232 7.094 5.412
6 HG3 ARG 1 2HG ARG 1 7.029 7.613 6.594
7 HD2 ARG 1 1HD ARG 1 8.825 7.682 8.328
8 HD3 ARG 1 2HD ARG 1 10.003 7.298 7.076
9 HE ARG 1 HE ARG 1 8.696 9.844 7.511
10 HH11 ARG 1 1HH1 ARG 1 10.387 7.863 5.157
11 HH12 ARG 1 2HH1 ARG 1 10.856 9.228 4.199
12 HH21 ARG 1 1HH2 ARG 1 9.330 11.561 6.237
13 HH22 ARG 1 2HH2 ARG 1 10.264 11.294 4.803
14 H SER 2 H SER 2 8.747 3.623 5.220
15 HA SER 2 HA SER 2 9.218 4.809 2.736
16 HB2 SER 2 1HB SER 2 9.761 1.940 3.524
17 HB3 SER 2 2HB SER 2 10.534 2.827 2.215
18 HG SER 2 HG SER 2 10.927 2.943 4.947
19 H LEU 3 H LEU 3 6.935 2.273 3.622
20 HA LEU 3 HA LEU 3 6.357 1.236 1.091
21 HB2 LEU 3 1HB LEU 3 5.518 0.316 3.248
22 HB3 LEU 3 2HB LEU 3 4.404 1.678 3.361
23 HG LEU 3 HG LEU 3 3.503 0.993 1.087
24 HD11 LEU 3 1HD1 LEU 3 3.942 -1.476 0.575
25 HD12 LEU 3 2HD1 LEU 3 5.303 -1.361 1.691
26 HD13 LEU 3 3HD1 LEU 3 5.271 -0.368 0.234
27 HD21 LEU 3 1HD2 LEU 3 2.031 -0.647 2.024
28 HD22 LEU 3 2HD2 LEU 3 2.488 0.410 3.359
29 HD23 LEU 3 3HD2 LEU 3 3.248 -1.173 3.188
30 H LEU 4 H LEU 4 5.107 4.124 2.727
31 HA LEU 4 HA LEU 4 3.099 4.787 0.871
32 HB2 LEU 4 1HB LEU 4 3.801 5.812 3.226
33 HB3 LEU 4 2HB LEU 4 4.689 6.938 2.212
34 HG LEU 4 HG LEU 4 2.515 7.877 2.704
35 HD11 LEU 4 1HD1 LEU 4 2.136 6.877 -0.099
36 HD12 LEU 4 2HD1 LEU 4 3.503 7.925 0.279
37 HD13 LEU 4 3HD1 LEU 4 1.855 8.489 0.558
38 HD21 LEU 4 1HD2 LEU 4 1.181 5.536 1.356
39 HD22 LEU 4 2HD2 LEU 4 0.462 6.765 2.397
40 HD23 LEU 4 3HD2 LEU 4 1.510 5.527 3.089
41 H GLU 5 H GLU 5 6.556 5.575 0.968
42 HA GLU 5 HA GLU 5 6.578 7.326 -1.253
43 HB2 GLU 5 1HB GLU 5 8.762 5.558 -0.130
44 HB3 GLU 5 2HB GLU 5 9.014 6.835 -1.320
45 HG2 GLU 5 1HG GLU 5 8.041 8.476 0.278
46 HG3 GLU 5 2HG GLU 5 7.891 7.194 1.472
47 H GLY 6 H GLY 6 6.851 3.811 -0.997
48 HA2 GLY 6 1HA GLY 6 6.203 2.315 -2.717
49 HA3 GLY 6 2HA GLY 6 6.414 3.608 -3.892
50 H GLU 7 H GLU 7 9.014 4.447 -3.036
51 HA GLU 7 HA GLU 7 10.652 2.734 -4.553
52 HB2 GLU 7 1HB GLU 7 11.416 4.801 -2.476
53 HB3 GLU 7 2HB GLU 7 12.531 4.060 -3.624
54 HG2 GLU 7 1HG GLU 7 11.130 4.915 -5.493
55 HG3 GLU 7 2HG GLU 7 10.093 5.718 -4.322
56 H ILE 8 H ILE 8 12.108 1.149 -4.007
57 HA ILE 8 HA ILE 8 11.713 -0.081 -1.376
58 HB ILE 8 HB ILE 8 12.903 -2.013 -2.370
59 HG12 ILE 8 1HG1 ILE 8 12.865 -0.417 -4.945
60 HG13 ILE 8 2HG1 ILE 8 14.297 -0.557 -3.926
61 HG21 ILE 8 1HG2 ILE 8 10.576 -0.813 -3.886
62 HG22 ILE 8 2HG2 ILE 8 10.524 -2.023 -2.605
63 HG23 ILE 8 3HG2 ILE 8 11.165 -2.447 -4.192
64 HD11 ILE 8 1HD1 ILE 8 14.389 -2.255 -5.676
65 HD12 ILE 8 2HD1 ILE 8 12.790 -2.844 -5.224
66 HD13 ILE 8 3HD1 ILE 8 14.147 -3.039 -4.115
67 HA PRO 9 HA PRO 9 15.721 1.289 -0.077
68 HB2 PRO 9 1HB PRO 9 16.244 -0.365 1.992
69 HB3 PRO 9 2HB PRO 9 14.934 0.832 2.059
70 HG2 PRO 9 1HG PRO 9 14.797 -2.097 1.648
71 HG3 PRO 9 2HG PRO 9 13.671 -1.015 2.483
72 HD2 PRO 9 1HD PRO 9 13.354 -2.000 -0.127
73 HD3 PRO 9 2HD PRO 9 12.465 -0.638 0.586
74 H PHE 10 H PHE 10 16.605 0.475 -2.202
75 HA PHE 10 HA PHE 10 18.315 -1.908 -1.864
76 HB2 PHE 10 1HB PHE 10 16.651 -1.163 -3.973
77 HB3 PHE 10 2HB PHE 10 18.250 -0.769 -4.559
78 HD1 PHE 10 HD1 PHE 10 19.927 -2.530 -4.914
79 HD2 PHE 10 HD2 PHE 10 15.962 -3.445 -3.539
80 HE1 PHE 10 HE1 PHE 10 20.285 -4.920 -5.471
81 HE2 PHE 10 HE2 PHE 10 16.321 -5.836 -4.096
82 HZ PHE 10 HZ PHE 10 18.482 -6.573 -5.061
83 HA PRO 11 HA PRO 11 21.343 1.426 -3.678
84 HB2 PRO 11 1HB PRO 11 20.191 3.964 -2.711
85 HB3 PRO 11 2HB PRO 11 20.913 3.565 -4.276
86 HG2 PRO 11 1HG PRO 11 18.261 3.912 -3.908
87 HG3 PRO 11 2HG PRO 11 18.956 2.878 -5.167
88 HD2 PRO 11 1HD PRO 11 17.599 2.102 -2.643
89 HD3 PRO 11 2HD PRO 11 17.730 1.221 -4.177
90 HA PRO 12 HA PRO 12 21.843 3.421 0.854
91 HB2 PRO 12 1HB PRO 12 19.952 1.476 2.124
92 HB3 PRO 12 2HB PRO 12 20.374 3.127 2.617
93 HG2 PRO 12 1HG PRO 12 18.083 2.580 1.378
94 HG3 PRO 12 2HG PRO 12 18.964 4.092 1.099
95 HD2 PRO 12 1HD PRO 12 18.642 1.760 -0.701
96 HD3 PRO 12 2HD PRO 12 18.977 3.457 -1.095
97 H THR 13 H THR 13 20.819 -0.012 1.053
98 HA THR 13 HA THR 13 23.038 -0.813 2.589
99 HB THR 13 HB THR 13 22.319 -3.102 2.092
100 HG1 THR 13 HG1 THR 13 21.713 -3.164 0.043
101 HG21 THR 13 1HG2 THR 13 20.103 -2.934 3.022
102 HG22 THR 13 2HG2 THR 13 19.916 -1.288 2.414
103 HG23 THR 13 3HG2 THR 13 21.063 -1.625 3.711
104 H SER 14 H SER 14 22.945 -0.134 -0.768
105 HA SER 14 HA SER 14 24.807 -2.242 -1.552
106 HB2 SER 14 1HB SER 14 22.970 -1.486 -3.084
107 HB3 SER 14 2HB SER 14 23.754 0.087 -3.178
108 HG SER 14 HG SER 14 25.521 -0.881 -4.122
109 H ILE 15 H ILE 15 24.681 1.284 -1.425
110 HA ILE 15 HA ILE 15 27.429 1.780 -1.895
111 HB ILE 15 HB ILE 15 25.512 3.408 -0.209
112 HG12 ILE 15 1HG1 ILE 15 24.553 3.018 -2.434
113 HG13 ILE 15 2HG1 ILE 15 25.077 4.690 -2.279
114 HG21 ILE 15 1HG2 ILE 15 27.006 5.284 -0.952
115 HG22 ILE 15 2HG2 ILE 15 28.089 4.080 -1.650
116 HG23 ILE 15 3HG2 ILE 15 27.804 4.108 0.091
117 HD11 ILE 15 1HD1 ILE 15 27.184 4.114 -3.484
118 HD12 ILE 15 2HD1 ILE 15 25.749 3.809 -4.459
119 HD13 ILE 15 3HD1 ILE 15 26.588 2.466 -3.686
120 H LEU 16 H LEU 16 25.537 1.098 1.028
121 HA LEU 16 HA LEU 16 27.595 1.551 2.919
122 HB2 LEU 16 1HB LEU 16 25.187 1.243 3.486
123 HB3 LEU 16 2HB LEU 16 25.347 -0.469 3.093
124 HG LEU 16 HG LEU 16 27.232 -0.572 4.793
125 HD11 LEU 16 1HD1 LEU 16 27.019 1.312 6.542
126 HD12 LEU 16 2HD1 LEU 16 26.199 2.226 5.275
127 HD13 LEU 16 3HD1 LEU 16 27.867 1.700 5.046
128 HD21 LEU 16 1HD2 LEU 16 24.502 0.269 5.823
129 HD22 LEU 16 2HD2 LEU 16 25.694 -0.686 6.705
130 HD23 LEU 16 3HD2 LEU 16 24.918 -1.353 5.268
131 H LEU 17 H LEU 17 26.748 -1.273 0.959
132 HA LEU 17 HA LEU 17 28.406 -3.138 2.310
133 HB2 LEU 17 1HB LEU 17 26.558 -3.752 0.756
134 HB3 LEU 17 2HB LEU 17 27.538 -3.173 -0.589
135 HG LEU 17 HG LEU 17 29.343 -4.793 0.176
136 HD11 LEU 17 1HD1 LEU 17 28.401 -6.727 1.545
137 HD12 LEU 17 2HD1 LEU 17 27.041 -5.674 1.932
138 HD13 LEU 17 3HD1 LEU 17 28.672 -5.228 2.434
139 HD21 LEU 17 1HD2 LEU 17 28.249 -6.722 -0.877
140 HD22 LEU 17 2HD2 LEU 17 27.815 -5.242 -1.735
141 HD23 LEU 17 3HD2 LEU 17 26.667 -5.984 -0.619
142 H LEU 18 H LEU 18 28.917 -1.165 -0.591
143 HA LEU 18 HA LEU 18 31.522 -2.043 -1.193
144 HB2 LEU 18 1HB LEU 18 30.096 -0.667 -2.710
145 HB3 LEU 18 2HB LEU 18 30.368 0.719 -1.654
146 HG LEU 18 HG LEU 18 32.862 0.334 -1.991
147 HD11 LEU 18 1HD1 LEU 18 33.232 -0.883 -4.284
148 HD12 LEU 18 2HD1 LEU 18 31.692 -1.659 -3.916
149 HD13 LEU 18 3HD1 LEU 18 33.059 -1.849 -2.818
150 HD21 LEU 18 1HD2 LEU 18 31.665 2.130 -3.155
151 HD22 LEU 18 2HD2 LEU 18 31.137 0.999 -4.399
152 HD23 LEU 18 3HD2 LEU 18 32.847 1.401 -4.243
153 H LEU 19 H LEU 19 30.336 0.585 0.877
154 HA LEU 19 HA LEU 19 32.816 1.691 1.592
155 HB2 LEU 19 1HB LEU 19 30.595 2.700 2.109
156 HB3 LEU 19 2HB LEU 19 30.354 1.458 3.338
157 HG LEU 19 HG LEU 19 32.538 2.223 4.385
158 HD11 LEU 19 1HD1 LEU 19 33.019 4.699 3.725
159 HD12 LEU 19 2HD1 LEU 19 32.184 4.293 2.226
160 HD13 LEU 19 3HD1 LEU 19 33.643 3.416 2.688
161 HD21 LEU 19 1HD2 LEU 19 31.500 4.146 5.492
162 HD22 LEU 19 2HD2 LEU 19 30.290 2.889 5.235
163 HD23 LEU 19 3HD2 LEU 19 30.333 4.300 4.177
164 H ALA 20 H ALA 20 31.026 -1.063 2.914
165 HA ALA 20 HA ALA 20 32.595 -1.461 5.223
166 HB1 ALA 20 1HB ALA 20 31.527 -3.554 5.419
167 HB2 ALA 20 2HB ALA 20 31.315 -3.705 3.674
168 HB3 ALA 20 3HB ALA 20 30.347 -2.543 4.583
169 H CYS 21 H CYS 21 32.901 -2.763 1.934
170 HA CYS 21 HA CYS 21 34.990 -4.578 2.475
171 HB2 CYS 21 1HB CYS 21 34.265 -3.120 -0.077
172 HB3 CYS 21 2HB CYS 21 35.428 -4.442 0.017
173 HG CYS 21 HG CYS 21 32.394 -4.745 0.105
174 H ILE 22 H ILE 22 35.071 -1.237 1.255
175 HA ILE 22 HA ILE 22 37.869 -1.083 0.931
176 HB ILE 22 HB ILE 22 35.973 1.177 1.606
177 HG12 ILE 22 1HG1 ILE 22 35.175 -0.060 -0.352
178 HG13 ILE 22 2HG1 ILE 22 35.822 1.499 -0.843
179 HG21 ILE 22 1HG2 ILE 22 37.628 2.586 0.479
180 HG22 ILE 22 2HG2 ILE 22 38.641 1.176 0.168
181 HG23 ILE 22 3HG2 ILE 22 38.378 1.724 1.823
182 HD11 ILE 22 1HD1 ILE 22 37.220 -1.185 -1.058
183 HD12 ILE 22 2HD1 ILE 22 37.975 0.361 -1.445
184 HD13 ILE 22 3HD1 ILE 22 36.602 -0.210 -2.388
185 H PHE 23 H PHE 23 35.800 -0.365 3.718
186 HA PHE 23 HA PHE 23 37.739 0.843 5.348
187 HB2 PHE 23 1HB PHE 23 35.258 0.771 5.747
188 HB3 PHE 23 2HB PHE 23 35.446 -0.894 6.261
189 HD1 PHE 23 HD1 PHE 23 36.388 2.617 7.028
190 HD2 PHE 23 HD2 PHE 23 36.187 -1.425 8.467
191 HE1 PHE 23 HE1 PHE 23 36.897 3.410 9.321
192 HE2 PHE 23 HE2 PHE 23 36.698 -0.632 10.761
193 HZ PHE 23 HZ PHE 23 37.052 1.785 11.188
194 H LEU 24 H LEU 24 36.777 -2.558 5.009
195 HA LEU 24 HA LEU 24 38.398 -3.629 7.035
196 HB2 LEU 24 1HB LEU 24 36.609 -4.876 5.829
197 HB3 LEU 24 2HB LEU 24 37.656 -4.944 4.410
198 HG LEU 24 HG LEU 24 39.402 -6.052 5.884
199 HD11 LEU 24 1HD1 LEU 24 37.046 -5.973 7.771
200 HD12 LEU 24 2HD1 LEU 24 38.716 -5.498 8.082
201 HD13 LEU 24 3HD1 LEU 24 38.300 -7.204 7.920
202 HD21 LEU 24 1HD2 LEU 24 38.077 -8.255 5.962
203 HD22 LEU 24 2HD2 LEU 24 38.198 -7.464 4.390
204 HD23 LEU 24 3HD2 LEU 24 36.715 -7.327 5.335
205 H ILE 25 H ILE 25 39.083 -2.984 3.619
206 HA ILE 25 HA ILE 25 41.652 -4.123 3.513
207 HB ILE 25 HB ILE 25 40.601 -1.721 1.990
208 HG12 ILE 25 1HG1 ILE 25 40.658 -4.651 1.210
209 HG13 ILE 25 2HG1 ILE 25 39.229 -3.831 1.839
210 HG21 ILE 25 1HG2 ILE 25 42.829 -3.669 1.311
211 HG22 ILE 25 2HG2 ILE 25 43.078 -2.020 1.886
212 HG23 ILE 25 3HG2 ILE 25 42.300 -2.302 0.329
213 HD11 ILE 25 1HD1 ILE 25 39.470 -2.155 -0.035
214 HD12 ILE 25 2HD1 ILE 25 39.079 -3.790 -0.569
215 HD13 ILE 25 3HD1 ILE 25 40.731 -3.187 -0.711
216 H LYS 26 H LYS 26 40.590 -0.862 4.416
217 HA LYS 26 HA LYS 26 43.120 0.321 4.678
218 HB2 LYS 26 1HB LYS 26 40.562 0.885 6.192
219 HB3 LYS 26 2HB LYS 26 41.988 1.923 6.216
220 HG2 LYS 26 1HG LYS 26 41.833 2.125 3.732
221 HG3 LYS 26 2HG LYS 26 40.334 1.194 3.782
222 HD2 LYS 26 1HD LYS 26 39.372 2.902 5.329
223 HD3 LYS 26 2HD LYS 26 40.840 3.859 5.135
224 HE2 LYS 26 1HE LYS 26 40.294 3.568 2.554
225 HE3 LYS 26 2HE LYS 26 38.657 3.317 3.160
226 HZ1 LYS 26 1HZ LYS 26 40.303 5.612 4.031
227 HZ2 LYS 26 2HZ LYS 26 38.617 5.417 4.136
228 HZ3 LYS 26 3HZ LYS 26 39.353 5.683 2.627
229 H ILE 27 H ILE 27 41.208 -1.562 6.978
230 HA ILE 27 HA ILE 27 42.839 -1.140 9.246
231 HB ILE 27 HB ILE 27 41.154 -3.571 8.581
232 HG12 ILE 27 1HG1 ILE 27 40.422 -1.099 10.179
233 HG13 ILE 27 2HG1 ILE 27 39.953 -1.353 8.498
234 HG21 ILE 27 1HG2 ILE 27 42.110 -2.456 11.239
235 HG22 ILE 27 2HG2 ILE 27 42.732 -3.911 10.462
236 HG23 ILE 27 3HG2 ILE 27 41.063 -3.860 11.026
237 HD11 ILE 27 1HD1 ILE 27 38.148 -2.058 10.024
238 HD12 ILE 27 2HD1 ILE 27 39.253 -3.181 10.814
239 HD13 ILE 27 3HD1 ILE 27 38.790 -3.436 9.131
240 H LEU 28 H LEU 28 42.849 -3.723 6.805
241 HA LEU 28 HA LEU 28 44.847 -5.309 7.989
242 HB2 LEU 28 1HB LEU 28 43.327 -6.050 6.159
243 HB3 LEU 28 2HB LEU 28 44.239 -5.041 5.037
244 HG LEU 28 HG LEU 28 46.319 -6.310 5.755
245 HD11 LEU 28 1HD1 LEU 28 45.705 -8.644 6.683
246 HD12 LEU 28 2HD1 LEU 28 44.175 -7.906 7.159
247 HD13 LEU 28 3HD1 LEU 28 45.693 -7.293 7.816
248 HD21 LEU 28 1HD2 LEU 28 45.804 -8.244 4.327
249 HD22 LEU 28 2HD2 LEU 28 45.105 -6.777 3.641
250 HD23 LEU 28 3HD2 LEU 28 44.078 -7.927 4.499
251 H ALA 29 H ALA 29 45.062 -2.697 5.607
252 HA ALA 29 HA ALA 29 47.839 -2.913 5.119
253 HB1 ALA 29 1HB ALA 29 46.015 -0.504 4.916
254 HB2 ALA 29 2HB ALA 29 46.368 -1.658 3.630
255 HB3 ALA 29 3HB ALA 29 47.643 -0.605 4.242
256 H ALA 30 H ALA 30 45.974 -1.020 7.439
257 HA ALA 30 HA ALA 30 46.510 -0.206 9.500
258 HB1 ALA 30 1HB ALA 30 49.391 -0.983 9.126
259 HB2 ALA 30 2HB ALA 30 48.160 -2.148 9.611
260 HB3 ALA 30 3HB ALA 30 48.499 -0.749 10.629
261 H SER 31 H SER 31 48.280 0.748 6.658
262 HA SER 31 HA SER 31 49.756 2.898 7.684
263 HB2 SER 31 1HB SER 31 49.830 3.717 5.407
264 HB3 SER 31 2HB SER 31 49.966 1.962 5.379
265 HG SER 31 HG SER 31 47.897 3.636 4.558
266 H ALA 32 H ALA 32 46.365 2.669 6.689
267 HA ALA 32 HA ALA 32 45.776 5.426 6.709
268 HB1 ALA 32 1HB ALA 32 44.289 3.692 5.743
269 HB2 ALA 32 2HB ALA 32 43.440 4.739 6.879
270 HB3 ALA 32 3HB ALA 32 43.931 3.119 7.372
271 H LEU 33 H LEU 33 45.507 2.961 9.270
272 HA LEU 33 HA LEU 33 44.350 4.629 11.220
273 HB2 LEU 33 1HB LEU 33 44.471 2.141 11.344
274 HB3 LEU 33 2HB LEU 33 46.195 2.278 11.688
275 HG LEU 33 HG LEU 33 45.585 3.768 13.646
276 HD11 LEU 33 1HD1 LEU 33 43.140 3.265 14.418
277 HD12 LEU 33 2HD1 LEU 33 42.852 2.910 12.714
278 HD13 LEU 33 3HD1 LEU 33 43.403 4.514 13.199
279 HD21 LEU 33 1HD2 LEU 33 44.819 1.839 15.058
280 HD22 LEU 33 2HD2 LEU 33 46.183 1.436 14.016
281 HD23 LEU 33 3HD2 LEU 33 44.556 0.913 13.580
282 H TRP 34 H TRP 34 47.734 4.003 10.391
283 HA TRP 34 HA TRP 34 48.903 5.277 12.617
284 HB2 TRP 34 1HB TRP 34 50.064 3.771 10.985
285 HB3 TRP 34 2HB TRP 34 50.035 5.086 9.826
286 HD1 TRP 34 HD1 TRP 34 51.804 6.972 10.076
287 HE1 TRP 34 HE1 TRP 34 53.853 7.293 11.605
288 HE3 TRP 34 HE3 TRP 34 50.953 3.263 13.481
289 HZ2 TRP 34 HZ2 TRP 34 54.985 6.129 13.963
290 HZ3 TRP 34 HZ3 TRP 34 52.529 2.890 15.353
291 HH2 TRP 34 HH2 TRP 34 54.541 4.315 15.602
292 H ALA 35 H ALA 35 48.095 6.507 9.381
293 HA ALA 35 HA ALA 35 49.135 9.106 9.755
294 HB1 ALA 35 1HB ALA 35 48.634 8.322 7.530
295 HB2 ALA 35 2HB ALA 35 47.609 9.719 7.858
296 HB3 ALA 35 3HB ALA 35 46.935 8.092 7.943
297 H ALA 36 H ALA 36 45.873 7.793 10.229
298 HA ALA 36 HA ALA 36 44.625 10.195 11.006
299 HB1 ALA 36 1HB ALA 36 44.022 7.287 11.377
300 HB2 ALA 36 2HB ALA 36 43.117 8.517 10.496
301 HB3 ALA 36 3HB ALA 36 43.074 8.485 12.258
302 H ALA 37 H ALA 37 46.639 7.957 12.815
303 HA ALA 37 HA ALA 37 45.829 8.496 15.421
304 HB1 ALA 37 1HB ALA 37 48.730 8.154 14.710
305 HB2 ALA 37 2HB ALA 37 47.589 6.821 14.527
306 HB3 ALA 37 3HB ALA 37 47.852 7.544 16.114
307 H TRP 38 H TRP 38 47.844 10.437 13.272
308 HA TRP 38 HA TRP 38 49.059 12.134 15.117
309 HB2 TRP 38 1HB TRP 38 49.492 12.054 12.655
310 HB3 TRP 38 2HB TRP 38 47.991 12.926 12.409
311 HD1 TRP 38 HD1 TRP 38 48.082 15.481 12.554
312 HE1 TRP 38 HE1 TRP 38 49.902 17.202 13.158
313 HE3 TRP 38 HE3 TRP 38 51.704 12.348 14.327
314 HZ2 TRP 38 HZ2 TRP 38 52.549 17.246 14.251
315 HZ3 TRP 38 HZ3 TRP 38 53.858 13.252 15.141
316 HH2 TRP 38 HH2 TRP 38 54.288 15.693 15.107
317 H HIS 39 H HIS 39 45.806 12.273 13.728
318 HA HIS 39 HA HIS 39 45.168 14.514 15.561
319 HB2 HIS 39 1HB HIS 39 43.850 13.683 12.974
320 HB3 HIS 39 2HB HIS 39 43.270 14.956 14.028
321 HD1 HIS 39 HD1 HIS 39 45.275 16.886 14.483
322 HD2 HIS 39 HD2 HIS 39 45.448 14.648 10.970
323 HE1 HIS 39 HE1 HIS 39 46.734 18.187 12.876
324 H GLY 40 H GLY 40 43.526 14.281 17.002
325 HA2 GLY 40 1HA GLY 40 42.704 11.725 17.816
326 HA3 GLY 40 2HA GLY 40 41.942 13.235 18.306
327 H GLN 41 H GLN 41 41.531 10.375 16.596
328 HA GLN 41 HA GLN 41 39.268 11.456 15.027
329 HB2 GLN 41 1HB GLN 41 41.036 10.225 13.769
330 HB3 GLN 41 2HB GLN 41 40.668 8.790 14.726
331 HG2 GLN 41 1HG GLN 41 38.353 8.819 13.918
332 HG3 GLN 41 2HG GLN 41 38.674 10.286 13.001
333 HE21 GLN 41 1HE2 GLN 41 37.750 8.176 11.520
334 HE22 GLN 41 2HE2 GLN 41 39.001 7.472 10.614
335 H LYS 42 H LYS 42 37.229 10.781 15.423
336 HA LYS 42 HA LYS 42 36.588 9.544 17.882
337 HB2 LYS 42 1HB LYS 42 34.924 9.996 15.395
338 HB3 LYS 42 2HB LYS 42 34.272 9.434 16.934
339 HG2 LYS 42 1HG LYS 42 35.947 11.927 16.850
340 HG3 LYS 42 2HG LYS 42 34.243 12.000 16.400
341 HD2 LYS 42 1HD LYS 42 35.116 10.676 18.964
342 HD3 LYS 42 2HD LYS 42 34.846 12.418 18.884
343 HE2 LYS 42 1HE LYS 42 32.565 11.833 17.833
344 HE3 LYS 42 2HE LYS 42 32.856 10.197 18.422
345 HZ1 LYS 42 1HZ LYS 42 31.683 12.074 19.877
346 HZ2 LYS 42 2HZ LYS 42 33.299 12.349 20.325
347 HZ3 LYS 42 3HZ LYS 42 32.598 10.819 20.557
348 HA PRO 43 HA PRO 43 36.903 5.273 16.799
349 HB2 PRO 43 1HB PRO 43 35.023 4.095 18.379
350 HB3 PRO 43 2HB PRO 43 36.542 4.751 19.019
351 HG2 PRO 43 1HG PRO 43 33.813 5.922 19.059
352 HG3 PRO 43 2HG PRO 43 35.079 5.960 20.299
353 HD2 PRO 43 1HD PRO 43 34.543 8.071 18.624
354 HD3 PRO 43 2HD PRO 43 36.131 7.782 19.365
355 H GLY 44 H GLY 44 33.470 6.218 17.124
356 HA2 GLY 44 1HA GLY 44 32.813 5.674 14.425
357 HA3 GLY 44 2HA GLY 44 32.370 4.292 15.424
358 H THR 45 H THR 45 30.232 5.153 14.399
359 HA THR 45 HA THR 45 29.055 7.440 15.721
360 HB THR 45 HB THR 45 27.720 5.313 14.029
361 HG1 THR 45 HG1 THR 45 27.961 7.157 12.476
362 HG21 THR 45 1HG2 THR 45 26.023 6.517 15.133
363 HG22 THR 45 2HG2 THR 45 26.195 7.368 13.598
364 HG23 THR 45 3HG2 THR 45 26.926 8.031 15.061
365 H HIS 46 H HIS 46 27.689 7.449 17.435
366 HA HIS 46 HA HIS 46 27.520 5.008 19.014
367 HB2 HIS 46 1HB HIS 46 28.082 7.187 20.052
368 HB3 HIS 46 2HB HIS 46 26.499 7.790 19.601
369 HD1 HIS 46 HD1 HIS 46 24.509 7.096 21.053
370 HD2 HIS 46 HD2 HIS 46 28.071 5.240 22.175
371 HE1 HIS 46 HE1 HIS 46 24.060 5.969 23.275
Start of MODEL 20
1 H ARG 1 3H ARG 1 7.237 4.646 8.933
2 HA ARG 1 HA ARG 1 9.395 3.381 9.337
3 HB2 ARG 1 1HB ARG 1 7.381 1.114 9.440
4 HB3 ARG 1 2HB ARG 1 9.135 0.951 9.439
5 HG2 ARG 1 1HG ARG 1 7.574 2.429 11.575
6 HG3 ARG 1 2HG ARG 1 8.110 0.756 11.724
7 HD2 ARG 1 1HD ARG 1 10.461 1.529 11.357
8 HD3 ARG 1 2HD ARG 1 9.880 3.191 11.365
9 HE ARG 1 HE ARG 1 8.925 2.330 13.700
10 HH11 ARG 1 1HH1 ARG 1 12.120 1.858 12.319
11 HH12 ARG 1 2HH1 ARG 1 12.885 1.770 13.871
12 HH21 ARG 1 1HH2 ARG 1 9.968 2.208 15.668
13 HH22 ARG 1 2HH2 ARG 1 11.681 1.966 15.741
14 H SER 2 H SER 2 10.127 1.946 7.490
15 HA SER 2 HA SER 2 9.323 3.036 5.041
16 HB2 SER 2 1HB SER 2 10.749 1.378 4.012
17 HB3 SER 2 2HB SER 2 11.515 1.947 5.491
18 HG SER 2 HG SER 2 10.547 0.083 6.519
19 H LEU 3 H LEU 3 8.032 0.284 6.786
20 HA LEU 3 HA LEU 3 6.883 -1.172 4.701
21 HB2 LEU 3 1HB LEU 3 6.998 -1.839 7.117
22 HB3 LEU 3 2HB LEU 3 5.666 -0.731 7.435
23 HG LEU 3 HG LEU 3 5.347 -2.742 5.232
24 HD11 LEU 3 1HD1 LEU 3 4.749 -4.505 6.699
25 HD12 LEU 3 2HD1 LEU 3 4.718 -3.437 8.103
26 HD13 LEU 3 3HD1 LEU 3 6.257 -3.877 7.364
27 HD21 LEU 3 1HD2 LEU 3 3.485 -1.334 5.392
28 HD22 LEU 3 2HD2 LEU 3 3.609 -1.206 7.145
29 HD23 LEU 3 3HD2 LEU 3 2.991 -2.684 6.410
30 H LEU 4 H LEU 4 5.619 1.633 6.479
31 HA LEU 4 HA LEU 4 3.067 1.712 5.297
32 HB2 LEU 4 1HB LEU 4 3.861 3.035 7.292
33 HB3 LEU 4 2HB LEU 4 4.700 4.104 6.170
34 HG LEU 4 HG LEU 4 1.797 3.523 5.686
35 HD11 LEU 4 1HD1 LEU 4 1.627 4.100 7.975
36 HD12 LEU 4 2HD1 LEU 4 1.359 5.623 7.126
37 HD13 LEU 4 3HD1 LEU 4 2.927 5.286 7.860
38 HD21 LEU 4 1HD2 LEU 4 2.678 4.880 4.003
39 HD22 LEU 4 2HD2 LEU 4 3.787 5.698 5.102
40 HD23 LEU 4 3HD2 LEU 4 2.069 6.093 5.126
41 H GLU 5 H GLU 5 6.155 3.140 4.301
42 HA GLU 5 HA GLU 5 5.201 4.600 2.086
43 HB2 GLU 5 1HB GLU 5 7.459 4.840 3.137
44 HB3 GLU 5 2HB GLU 5 7.922 3.316 2.380
45 HG2 GLU 5 1HG GLU 5 7.359 4.283 0.158
46 HG3 GLU 5 2HG GLU 5 6.994 5.814 0.938
47 H GLY 6 H GLY 6 6.184 1.222 2.421
48 HA2 GLY 6 1HA GLY 6 5.588 -0.580 1.082
49 HA3 GLY 6 2HA GLY 6 4.802 0.537 -0.026
50 H GLU 7 H GLU 7 8.146 0.967 0.970
51 HA GLU 7 HA GLU 7 9.048 0.009 -1.685
52 HB2 GLU 7 1HB GLU 7 9.992 2.472 -0.199
53 HB3 GLU 7 2HB GLU 7 10.696 1.851 -1.692
54 HG2 GLU 7 1HG GLU 7 8.475 2.088 -2.797
55 HG3 GLU 7 2HG GLU 7 7.844 2.804 -1.321
56 H ILE 8 H ILE 8 11.253 -0.715 -1.768
57 HA ILE 8 HA ILE 8 12.149 -1.833 0.797
58 HB ILE 8 HB ILE 8 11.726 -3.417 -1.031
59 HG12 ILE 8 1HG1 ILE 8 14.109 -4.398 -1.140
60 HG13 ILE 8 2HG1 ILE 8 14.582 -3.038 -0.124
61 HG21 ILE 8 1HG2 ILE 8 13.886 -1.866 -2.485
62 HG22 ILE 8 2HG2 ILE 8 12.185 -1.961 -2.938
63 HG23 ILE 8 3HG2 ILE 8 13.202 -3.398 -3.027
64 HD11 ILE 8 1HD1 ILE 8 14.009 -5.043 1.225
65 HD12 ILE 8 2HD1 ILE 8 12.385 -5.022 0.538
66 HD13 ILE 8 3HD1 ILE 8 12.926 -3.694 1.564
67 HA PRO 9 HA PRO 9 15.545 1.076 0.358
68 HB2 PRO 9 1HB PRO 9 16.958 0.513 2.586
69 HB3 PRO 9 2HB PRO 9 15.355 1.270 2.663
70 HG2 PRO 9 1HG PRO 9 16.163 -1.491 3.288
71 HG3 PRO 9 2HG PRO 9 14.828 -0.525 3.934
72 HD2 PRO 9 1HD PRO 9 14.674 -2.515 1.903
73 HD3 PRO 9 2HD PRO 9 13.375 -1.436 2.450
74 H PHE 10 H PHE 10 16.245 -0.251 -1.590
75 HA PHE 10 HA PHE 10 18.445 -2.069 -1.166
76 HB2 PHE 10 1HB PHE 10 16.665 -1.867 -3.166
77 HB3 PHE 10 2HB PHE 10 17.985 -0.958 -3.871
78 HD1 PHE 10 HD1 PHE 10 17.529 -4.140 -1.926
79 HD2 PHE 10 HD2 PHE 10 19.435 -2.147 -5.220
80 HE1 PHE 10 HE1 PHE 10 18.651 -6.259 -2.561
81 HE2 PHE 10 HE2 PHE 10 20.556 -4.266 -5.854
82 HZ PHE 10 HZ PHE 10 20.165 -6.322 -4.524
83 HA PRO 11 HA PRO 11 20.929 1.520 -3.344
84 HB2 PRO 11 1HB PRO 11 19.819 3.948 -2.139
85 HB3 PRO 11 2HB PRO 11 20.206 3.596 -3.826
86 HG2 PRO 11 1HG PRO 11 17.667 3.723 -2.700
87 HG3 PRO 11 2HG PRO 11 18.094 3.101 -4.299
88 HD2 PRO 11 1HD PRO 11 17.189 1.632 -1.978
89 HD3 PRO 11 2HD PRO 11 17.467 1.042 -3.625
90 HA PRO 12 HA PRO 12 21.938 3.344 1.127
91 HB2 PRO 12 1HB PRO 12 20.201 1.461 2.665
92 HB3 PRO 12 2HB PRO 12 20.655 3.137 3.033
93 HG2 PRO 12 1HG PRO 12 18.238 2.524 2.111
94 HG3 PRO 12 2HG PRO 12 19.063 4.021 1.645
95 HD2 PRO 12 1HD PRO 12 18.605 1.555 0.040
96 HD3 PRO 12 2HD PRO 12 18.754 3.241 -0.493
97 H THR 13 H THR 13 20.836 -0.048 1.409
98 HA THR 13 HA THR 13 23.060 -1.019 2.755
99 HB THR 13 HB THR 13 21.357 -2.567 0.795
100 HG1 THR 13 HG1 THR 13 20.988 -1.930 3.533
101 HG21 THR 13 1HG2 THR 13 21.909 -4.468 2.239
102 HG22 THR 13 2HG2 THR 13 22.866 -3.418 3.285
103 HG23 THR 13 3HG2 THR 13 23.388 -3.728 1.629
104 H SER 14 H SER 14 22.883 -0.147 -0.597
105 HA SER 14 HA SER 14 24.761 -2.211 -1.466
106 HB2 SER 14 1HB SER 14 24.388 -1.349 -3.696
107 HB3 SER 14 2HB SER 14 22.826 -1.495 -2.897
108 HG SER 14 HG SER 14 22.642 0.619 -2.891
109 H ILE 15 H ILE 15 24.554 1.314 -1.306
110 HA ILE 15 HA ILE 15 27.265 1.857 -1.924
111 HB ILE 15 HB ILE 15 25.359 3.454 -0.187
112 HG12 ILE 15 1HG1 ILE 15 25.989 3.719 -3.143
113 HG13 ILE 15 2HG1 ILE 15 24.537 2.944 -2.508
114 HG21 ILE 15 1HG2 ILE 15 27.808 4.038 -0.017
115 HG22 ILE 15 2HG2 ILE 15 26.808 5.338 -0.670
116 HG23 ILE 15 3HG2 ILE 15 27.796 4.356 -1.752
117 HD11 ILE 15 1HD1 ILE 15 24.032 5.092 -1.281
118 HD12 ILE 15 2HD1 ILE 15 23.961 5.225 -3.037
119 HD13 ILE 15 3HD1 ILE 15 25.365 5.837 -2.164
120 H LEU 16 H LEU 16 25.556 1.100 1.086
121 HA LEU 16 HA LEU 16 27.740 1.598 2.837
122 HB2 LEU 16 1HB LEU 16 25.110 0.242 2.997
123 HB3 LEU 16 2HB LEU 16 26.308 -0.311 4.157
124 HG LEU 16 HG LEU 16 24.887 1.523 5.035
125 HD11 LEU 16 1HD1 LEU 16 27.392 1.120 5.606
126 HD12 LEU 16 2HD1 LEU 16 26.626 2.614 6.144
127 HD13 LEU 16 3HD1 LEU 16 27.665 2.620 4.718
128 HD21 LEU 16 1HD2 LEU 16 26.242 3.212 2.908
129 HD22 LEU 16 2HD2 LEU 16 25.193 3.814 4.189
130 HD23 LEU 16 3HD2 LEU 16 24.536 2.768 2.932
131 H LEU 17 H LEU 17 26.766 -1.226 0.951
132 HA LEU 17 HA LEU 17 28.459 -3.109 2.224
133 HB2 LEU 17 1HB LEU 17 26.533 -3.607 0.655
134 HB3 LEU 17 2HB LEU 17 27.603 -3.168 -0.675
135 HG LEU 17 HG LEU 17 28.563 -5.159 1.357
136 HD11 LEU 17 1HD1 LEU 17 26.546 -5.652 -0.837
137 HD12 LEU 17 2HD1 LEU 17 26.462 -6.145 0.854
138 HD13 LEU 17 3HD1 LEU 17 27.600 -6.933 -0.239
139 HD21 LEU 17 1HD2 LEU 17 29.490 -6.072 -0.925
140 HD22 LEU 17 2HD2 LEU 17 30.229 -4.641 -0.208
141 HD23 LEU 17 3HD2 LEU 17 29.073 -4.468 -1.527
142 H LEU 18 H LEU 18 28.899 -1.098 -0.668
143 HA LEU 18 HA LEU 18 31.497 -1.944 -1.333
144 HB2 LEU 18 1HB LEU 18 30.041 -0.534 -2.789
145 HB3 LEU 18 2HB LEU 18 30.324 0.823 -1.699
146 HG LEU 18 HG LEU 18 32.814 0.464 -2.090
147 HD11 LEU 18 1HD1 LEU 18 32.923 -1.738 -2.961
148 HD12 LEU 18 2HD1 LEU 18 33.229 -0.703 -4.356
149 HD13 LEU 18 3HD1 LEU 18 31.636 -1.428 -4.127
150 HD21 LEU 18 1HD2 LEU 18 31.125 1.137 -4.519
151 HD22 LEU 18 2HD2 LEU 18 32.782 1.663 -4.226
152 HD23 LEU 18 3HD2 LEU 18 31.476 2.251 -3.198
153 H LEU 19 H LEU 19 30.344 0.640 0.809
154 HA LEU 19 HA LEU 19 32.832 1.721 1.525
155 HB2 LEU 19 1HB LEU 19 30.625 2.726 2.086
156 HB3 LEU 19 2HB LEU 19 30.379 1.452 3.280
157 HG LEU 19 HG LEU 19 32.552 2.171 4.358
158 HD11 LEU 19 1HD1 LEU 19 33.078 4.657 3.744
159 HD12 LEU 19 2HD1 LEU 19 32.266 4.276 2.225
160 HD13 LEU 19 3HD1 LEU 19 33.704 3.376 2.706
161 HD21 LEU 19 1HD2 LEU 19 30.440 4.341 4.179
162 HD22 LEU 19 2HD2 LEU 19 31.535 4.039 5.529
163 HD23 LEU 19 3HD2 LEU 19 30.265 2.877 5.146
164 H ALA 20 H ALA 20 31.066 -1.075 2.787
165 HA ALA 20 HA ALA 20 32.640 -1.527 5.080
166 HB1 ALA 20 1HB ALA 20 31.387 -3.736 3.457
167 HB2 ALA 20 2HB ALA 20 30.407 -2.619 4.409
168 HB3 ALA 20 3HB ALA 20 31.603 -3.642 5.205
169 H CYS 21 H CYS 21 32.938 -2.755 1.759
170 HA CYS 21 HA CYS 21 35.060 -4.541 2.210
171 HB2 CYS 21 1HB CYS 21 34.389 -2.942 -0.273
172 HB3 CYS 21 2HB CYS 21 35.509 -4.303 -0.221
173 HG CYS 21 HG CYS 21 32.746 -4.774 -0.732
174 H ILE 22 H ILE 22 35.078 -1.128 1.247
175 HA ILE 22 HA ILE 22 37.864 -0.837 0.968
176 HB ILE 22 HB ILE 22 35.881 1.255 1.888
177 HG12 ILE 22 1HG1 ILE 22 35.145 0.229 -0.210
178 HG13 ILE 22 2HG1 ILE 22 35.732 1.859 -0.507
179 HG21 ILE 22 1HG2 ILE 22 38.105 2.064 2.227
180 HG22 ILE 22 2HG2 ILE 22 37.540 2.784 0.719
181 HG23 ILE 22 3HG2 ILE 22 38.648 1.412 0.681
182 HD11 ILE 22 1HD1 ILE 22 37.232 -0.726 -1.026
183 HD12 ILE 22 2HD1 ILE 22 37.935 0.881 -1.214
184 HD13 ILE 22 3HD1 ILE 22 36.591 0.381 -2.235
185 H PHE 23 H PHE 23 35.772 -0.546 3.809
186 HA PHE 23 HA PHE 23 37.651 0.562 5.576
187 HB2 PHE 23 1HB PHE 23 35.210 0.373 6.004
188 HB3 PHE 23 2HB PHE 23 35.409 -1.354 6.229
189 HD1 PHE 23 HD1 PHE 23 36.498 -2.246 8.230
190 HD2 PHE 23 HD2 PHE 23 35.997 1.981 7.657
191 HE1 PHE 23 HE1 PHE 23 37.022 -1.860 10.624
192 HE2 PHE 23 HE2 PHE 23 36.522 2.367 10.050
193 HZ PHE 23 HZ PHE 23 37.034 0.447 11.533
194 H LEU 24 H LEU 24 36.870 -2.825 4.851
195 HA LEU 24 HA LEU 24 38.513 -3.983 6.827
196 HB2 LEU 24 1HB LEU 24 37.330 -4.960 4.255
197 HB3 LEU 24 2HB LEU 24 38.542 -5.949 5.067
198 HG LEU 24 HG LEU 24 37.109 -5.602 7.196
199 HD11 LEU 24 1HD1 LEU 24 34.705 -5.222 6.720
200 HD12 LEU 24 2HD1 LEU 24 35.105 -4.894 5.033
201 HD13 LEU 24 3HD1 LEU 24 35.683 -3.814 6.302
202 HD21 LEU 24 1HD2 LEU 24 36.097 -7.235 4.846
203 HD22 LEU 24 2HD2 LEU 24 35.608 -7.480 6.523
204 HD23 LEU 24 3HD2 LEU 24 37.283 -7.752 6.046
205 H ILE 25 H ILE 25 39.191 -3.134 3.447
206 HA ILE 25 HA ILE 25 41.790 -4.241 3.357
207 HB ILE 25 HB ILE 25 40.731 -1.860 1.817
208 HG12 ILE 25 1HG1 ILE 25 39.262 -3.795 1.546
209 HG13 ILE 25 2HG1 ILE 25 40.178 -3.528 0.071
210 HG21 ILE 25 1HG2 ILE 25 43.111 -1.991 1.560
211 HG22 ILE 25 2HG2 ILE 25 42.404 -2.699 0.107
212 HG23 ILE 25 3HG2 ILE 25 43.057 -3.744 1.369
213 HD11 ILE 25 1HD1 ILE 25 41.783 -5.293 1.542
214 HD12 ILE 25 2HD1 ILE 25 40.739 -5.711 0.187
215 HD13 ILE 25 3HD1 ILE 25 40.137 -5.850 1.835
216 H LYS 26 H LYS 26 40.668 -0.977 4.196
217 HA LYS 26 HA LYS 26 43.218 0.218 4.323
218 HB2 LYS 26 1HB LYS 26 40.974 1.389 4.214
219 HB3 LYS 26 2HB LYS 26 40.813 1.058 5.940
220 HG2 LYS 26 1HG LYS 26 43.141 2.147 6.175
221 HG3 LYS 26 2HG LYS 26 42.869 2.771 4.547
222 HD2 LYS 26 1HD LYS 26 40.900 3.155 6.813
223 HD3 LYS 26 2HD LYS 26 42.155 4.330 6.417
224 HE2 LYS 26 1HE LYS 26 41.258 4.631 4.187
225 HE3 LYS 26 2HE LYS 26 40.098 3.326 4.433
226 HZ1 LYS 26 1HZ LYS 26 40.111 6.038 5.549
227 HZ2 LYS 26 2HZ LYS 26 39.414 4.787 6.462
228 HZ3 LYS 26 3HZ LYS 26 38.821 5.141 4.910
229 H ILE 27 H ILE 27 41.212 -1.275 6.852
230 HA ILE 27 HA ILE 27 42.973 -0.536 8.962
231 HB ILE 27 HB ILE 27 40.585 -1.010 9.319
232 HG12 ILE 27 1HG1 ILE 27 42.260 -2.960 10.904
233 HG13 ILE 27 2HG1 ILE 27 42.408 -1.214 11.110
234 HG21 ILE 27 1HG2 ILE 27 39.847 -3.368 9.464
235 HG22 ILE 27 2HG2 ILE 27 41.404 -3.887 8.826
236 HG23 ILE 27 3HG2 ILE 27 40.316 -2.923 7.826
237 HD11 ILE 27 1HD1 ILE 27 39.818 -2.766 11.380
238 HD12 ILE 27 2HD1 ILE 27 40.041 -1.042 11.680
239 HD13 ILE 27 3HD1 ILE 27 40.812 -2.227 12.734
240 H LEU 28 H LEU 28 42.706 -3.481 6.993
241 HA LEU 28 HA LEU 28 44.525 -5.041 8.482
242 HB2 LEU 28 1HB LEU 28 43.848 -5.084 5.533
243 HB3 LEU 28 2HB LEU 28 44.818 -6.313 6.345
244 HG LEU 28 HG LEU 28 42.022 -5.558 7.226
245 HD11 LEU 28 1HD1 LEU 28 42.996 -7.754 5.381
246 HD12 LEU 28 2HD1 LEU 28 41.812 -6.499 5.018
247 HD13 LEU 28 3HD1 LEU 28 41.415 -7.780 6.163
248 HD21 LEU 28 1HD2 LEU 28 43.210 -6.594 9.011
249 HD22 LEU 28 2HD2 LEU 28 43.988 -7.746 7.926
250 HD23 LEU 28 3HD2 LEU 28 42.267 -7.892 8.279
251 H ALA 29 H ALA 29 45.023 -2.802 5.774
252 HA ALA 29 HA ALA 29 47.803 -3.167 5.514
253 HB1 ALA 29 1HB ALA 29 47.657 -0.746 4.589
254 HB2 ALA 29 2HB ALA 29 45.919 -0.935 4.813
255 HB3 ALA 29 3HB ALA 29 46.793 -2.028 3.741
256 H ALA 30 H ALA 30 45.905 -1.113 7.671
257 HA ALA 30 HA ALA 30 48.303 0.207 8.684
258 HB1 ALA 30 1HB ALA 30 45.407 0.485 9.523
259 HB2 ALA 30 2HB ALA 30 46.234 1.509 8.349
260 HB3 ALA 30 3HB ALA 30 46.739 1.519 10.038
261 H SER 31 H SER 31 48.124 -2.655 9.106
262 HA SER 31 HA SER 31 47.161 -3.415 11.613
263 HB2 SER 31 1HB SER 31 48.042 -4.963 9.856
264 HB3 SER 31 2HB SER 31 49.671 -4.444 10.276
265 HG SER 31 HG SER 31 49.166 -6.286 11.449
266 H ALA 32 H ALA 32 50.232 -1.887 10.728
267 HA ALA 32 HA ALA 32 51.544 -2.200 13.198
268 HB1 ALA 32 1HB ALA 32 53.032 -0.450 12.444
269 HB2 ALA 32 2HB ALA 32 51.847 0.104 11.260
270 HB3 ALA 32 3HB ALA 32 52.623 -1.468 11.064
271 H LEU 33 H LEU 33 49.537 0.482 11.967
272 HA LEU 33 HA LEU 33 49.857 2.175 14.194
273 HB2 LEU 33 1HB LEU 33 47.484 1.964 12.326
274 HB3 LEU 33 2HB LEU 33 47.864 3.333 13.369
275 HG LEU 33 HG LEU 33 49.664 2.293 11.161
276 HD11 LEU 33 1HD1 LEU 33 47.623 4.504 11.297
277 HD12 LEU 33 2HD1 LEU 33 47.873 3.305 10.027
278 HD13 LEU 33 3HD1 LEU 33 49.012 4.639 10.219
279 HD21 LEU 33 1HD2 LEU 33 51.048 3.358 12.764
280 HD22 LEU 33 2HD2 LEU 33 49.831 4.581 13.127
281 HD23 LEU 33 3HD2 LEU 33 50.701 4.631 11.594
282 H TRP 34 H TRP 34 47.520 -0.399 13.536
283 HA TRP 34 HA TRP 34 45.796 0.103 15.709
284 HB2 TRP 34 1HB TRP 34 45.308 -1.391 13.771
285 HB3 TRP 34 2HB TRP 34 46.424 -2.564 14.443
286 HD1 TRP 34 HD1 TRP 34 45.470 -4.234 16.120
287 HE1 TRP 34 HE1 TRP 34 43.225 -4.500 17.355
288 HE3 TRP 34 HE3 TRP 34 43.244 0.186 14.861
289 HZ2 TRP 34 HZ2 TRP 34 40.799 -3.030 17.758
290 HZ3 TRP 34 HZ3 TRP 34 40.972 0.727 15.682
291 HH2 TRP 34 HH2 TRP 34 39.747 -0.871 17.126
292 H ALA 35 H ALA 35 48.642 -2.004 15.420
293 HA ALA 35 HA ALA 35 48.476 -3.162 17.983
294 HB1 ALA 35 1HB ALA 35 51.145 -2.637 16.744
295 HB2 ALA 35 2HB ALA 35 50.014 -3.691 15.894
296 HB3 ALA 35 3HB ALA 35 50.538 -4.095 17.529
297 H ALA 36 H ALA 36 50.166 -0.263 16.831
298 HA ALA 36 HA ALA 36 51.428 0.418 19.250
299 HB1 ALA 36 1HB ALA 36 50.414 2.533 17.387
300 HB2 ALA 36 2HB ALA 36 51.666 1.419 16.838
301 HB3 ALA 36 3HB ALA 36 51.952 2.442 18.246
302 H ALA 37 H ALA 37 48.169 1.091 18.053
303 HA ALA 37 HA ALA 37 47.413 2.995 19.984
304 HB1 ALA 37 1HB ALA 37 46.194 2.139 17.822
305 HB2 ALA 37 2HB ALA 37 45.249 2.726 19.192
306 HB3 ALA 37 3HB ALA 37 45.447 0.993 18.934
307 H TRP 38 H TRP 38 47.417 -0.541 20.071
308 HA TRP 38 HA TRP 38 45.887 -0.974 22.360
309 HB2 TRP 38 1HB TRP 38 46.782 -2.727 20.828
310 HB3 TRP 38 2HB TRP 38 48.366 -2.489 21.542
311 HD1 TRP 38 HD1 TRP 38 48.922 -3.943 23.551
312 HE1 TRP 38 HE1 TRP 38 47.586 -5.469 25.138
313 HE3 TRP 38 HE3 TRP 38 44.175 -2.911 21.978
314 HZ2 TRP 38 HZ2 TRP 38 44.858 -6.164 25.673
315 HZ3 TRP 38 HZ3 TRP 38 42.232 -4.016 23.041
316 HH2 TRP 38 HH2 TRP 38 42.564 -5.638 24.884
317 H HIS 39 H HIS 39 49.279 -0.022 22.057
318 HA HIS 39 HA HIS 39 49.513 0.067 24.998
319 HB2 HIS 39 1HB HIS 39 51.614 0.142 22.831
320 HB3 HIS 39 2HB HIS 39 51.948 0.310 24.543
321 HD1 HIS 39 HD1 HIS 39 51.113 -2.193 21.911
322 HD2 HIS 39 HD2 HIS 39 51.678 -2.132 26.041
323 HE1 HIS 39 HE1 HIS 39 51.320 -4.608 22.640
324 H GLY 40 H GLY 40 50.152 1.951 26.043
325 HA2 GLY 40 1HA GLY 40 49.339 4.398 24.759
326 HA3 GLY 40 2HA GLY 40 49.928 4.229 26.410
327 H GLN 41 H GLN 41 50.907 6.369 25.455
328 HA GLN 41 HA GLN 41 53.472 5.788 24.104
329 HB2 GLN 41 1HB GLN 41 51.919 8.372 24.382
330 HB3 GLN 41 2HB GLN 41 53.492 8.222 23.598
331 HG2 GLN 41 1HG GLN 41 52.567 6.658 21.964
332 HG3 GLN 41 2HG GLN 41 51.003 6.702 22.774
333 HE21 GLN 41 1HE2 GLN 41 51.279 7.452 20.025
334 HE22 GLN 41 2HE2 GLN 41 50.969 9.116 19.892
335 H LYS 42 H LYS 42 55.399 6.531 24.957
336 HA LYS 42 HA LYS 42 55.318 7.810 27.614
337 HB2 LYS 42 1HB LYS 42 56.625 5.218 26.851
338 HB3 LYS 42 2HB LYS 42 57.351 6.228 28.101
339 HG2 LYS 42 1HG LYS 42 55.029 6.294 29.184
340 HG3 LYS 42 2HG LYS 42 54.598 4.982 28.085
341 HD2 LYS 42 1HD LYS 42 56.496 3.646 28.956
342 HD3 LYS 42 2HD LYS 42 56.874 4.945 30.089
343 HE2 LYS 42 1HE LYS 42 54.669 4.708 31.135
344 HE3 LYS 42 2HE LYS 42 54.238 3.450 29.977
345 HZ1 LYS 42 1HZ LYS 42 56.539 3.289 31.845
346 HZ2 LYS 42 2HZ LYS 42 55.971 2.059 30.819
347 HZ3 LYS 42 3HZ LYS 42 55.025 2.580 32.131
348 HA PRO 43 HA PRO 43 58.527 10.394 26.035
349 HB2 PRO 43 1HB PRO 43 60.399 10.449 28.084
350 HB3 PRO 43 2HB PRO 43 58.921 11.427 28.037
351 HG2 PRO 43 1HG PRO 43 59.468 8.901 29.495
352 HG3 PRO 43 2HG PRO 43 58.528 10.319 29.996
353 HD2 PRO 43 1HD PRO 43 57.326 8.045 29.150
354 HD3 PRO 43 2HD PRO 43 56.630 9.651 28.838
355 H GLY 44 H GLY 44 59.742 7.459 27.630
356 HA2 GLY 44 1HA GLY 44 61.295 5.898 26.964
357 HA3 GLY 44 2HA GLY 44 61.106 6.529 25.330
358 H THR 45 H THR 45 62.967 7.177 24.489
359 HA THR 45 HA THR 45 64.973 8.468 26.251
360 HB THR 45 HB THR 45 65.494 6.841 23.751
361 HG1 THR 45 HG1 THR 45 65.984 5.206 25.092
362 HG21 THR 45 1HG2 THR 45 67.179 8.573 24.230
363 HG22 THR 45 2HG2 THR 45 67.837 6.963 24.524
364 HG23 THR 45 3HG2 THR 45 67.335 7.971 25.881
365 H HIS 46 H HIS 46 65.885 10.353 25.568
366 HA HIS 46 HA HIS 46 66.058 12.340 24.432
367 HB2 HIS 46 1HB HIS 46 65.642 10.495 22.078
368 HB3 HIS 46 2HB HIS 46 66.135 12.172 21.951
369 HD1 HIS 46 HD1 HIS 46 67.956 9.970 20.849
370 HD2 HIS 46 HD2 HIS 46 68.276 11.471 24.724
371 HE1 HIS 46 HE1 HIS 46 70.321 9.487 21.610