NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
555387 |
2lot   |
18224 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 HT1 MET 1 46.384 -30.827 -13.785
2 H2 MET 1 HT2 MET 1 47.787 -31.106 -12.868
3 H3 MET 1 HT3 MET 1 47.881 -31.006 -14.562
4 HA MET 1 HA MET 1 48.677 -28.956 -13.779
5 HB2 MET 1 HB2 MET 1 45.752 -28.703 -14.544
6 HB3 MET 1 HB1 MET 1 46.924 -27.385 -14.579
7 HG2 MET 1 HG2 MET 1 47.438 -29.955 -16.068
8 HG3 MET 1 HG1 MET 1 46.481 -28.663 -16.790
9 HE1 MET 1 HE1 MET 1 50.070 -29.047 -18.239
10 HE2 MET 1 HE2 MET 1 48.733 -28.113 -18.906
11 HE3 MET 1 HE3 MET 1 48.423 -29.691 -18.186
12 H GLU 2 HN GLU 2 48.360 -27.048 -12.429
13 HA GLU 2 HA GLU 2 47.146 -27.772 -9.858
14 HB2 GLU 2 HB2 GLU 2 48.375 -25.569 -9.188
15 HB3 GLU 2 HB1 GLU 2 49.326 -27.024 -9.490
16 HG2 GLU 2 HG2 GLU 2 50.150 -26.239 -11.501
17 HG3 GLU 2 HG1 GLU 2 48.734 -25.235 -11.809
18 H GLU 3 HN GLU 3 44.950 -27.424 -10.385
19 HA GLU 3 HA GLU 3 44.148 -24.631 -10.188
20 HB2 GLU 3 HB2 GLU 3 44.021 -26.126 -12.682
21 HB3 GLU 3 HB1 GLU 3 42.429 -25.565 -12.168
22 HG2 GLU 3 HG2 GLU 3 43.289 -23.279 -11.928
23 HG3 GLU 3 HG1 GLU 3 44.902 -23.824 -12.386
24 H GLY 4 HN GLY 4 43.032 -24.891 -8.329
25 HA2 GLY 4 HA2 GLY 4 40.542 -25.461 -7.903
26 HA3 GLY 4 HA1 GLY 4 41.107 -27.114 -8.125
27 H GLY 5 HN GLY 5 43.515 -27.112 -6.830
28 HA2 GLY 5 HA2 GLY 5 44.571 -26.934 -4.754
29 HA3 GLY 5 HA1 GLY 5 43.207 -25.989 -4.166
30 H ASP 6 HN ASP 6 44.169 -27.840 -2.482
31 HA ASP 6 HA ASP 6 41.997 -29.812 -2.405
32 HB2 ASP 6 HB2 ASP 6 44.777 -30.434 -2.930
33 HB3 ASP 6 HB1 ASP 6 44.229 -31.199 -1.440
34 H PHE 7 HN PHE 7 41.046 -29.686 -0.484
35 HA PHE 7 HA PHE 7 40.669 -28.995 1.694
36 HB2 PHE 7 HB2 PHE 7 41.870 -31.255 1.806
37 HB3 PHE 7 HB1 PHE 7 43.314 -30.338 2.235
38 HD1 PHE 7 HD2 PHE 7 43.395 -29.011 4.320
39 HD2 PHE 7 HD1 PHE 7 40.006 -31.461 3.337
40 HE1 PHE 7 HE2 PHE 7 42.603 -28.856 6.665
41 HE2 PHE 7 HE1 PHE 7 39.214 -31.306 5.682
42 HZ PHE 7 HZ PHE 7 40.512 -30.004 7.346
43 H ASP 8 HN ASP 8 40.887 -26.745 1.502
44 HA ASP 8 HA ASP 8 43.322 -25.683 2.757
45 HB2 ASP 8 HB2 ASP 8 43.511 -25.463 0.255
46 HB3 ASP 8 HB1 ASP 8 42.088 -24.424 0.301
47 H ASN 9 HN ASN 9 41.108 -26.039 4.197
48 HA ASN 9 HA ASN 9 40.101 -23.294 4.547
49 HB2 ASN 9 HB2 ASN 9 38.382 -25.787 4.570
50 HB3 ASN 9 HB1 ASN 9 37.836 -24.162 4.983
51 HD21 ASN 9 HD21 ASN 9 36.842 -25.808 2.733
52 HD22 ASN 9 HD22 ASN 9 37.189 -24.937 1.318
53 H TYR 10 HN TYR 10 42.166 -24.363 6.006
54 HA TYR 10 HA TYR 10 41.530 -25.786 8.320
55 HB2 TYR 10 HB2 TYR 10 43.802 -25.534 8.127
56 HB3 TYR 10 HB1 TYR 10 43.676 -23.876 7.539
57 HD1 TYR 10 HD1 TYR 10 43.151 -25.963 10.601
58 HD2 TYR 10 HD2 TYR 10 44.014 -22.070 9.004
59 HE1 TYR 10 HE1 TYR 10 43.571 -25.116 12.894
60 HE2 TYR 10 HE2 TYR 10 44.434 -21.222 11.297
61 HH TYR 10 HH TYR 10 44.963 -21.988 13.470
62 H TYR 11 HN TYR 11 39.731 -25.246 9.450
63 HA TYR 11 HA TYR 11 38.720 -22.678 9.892
64 HB2 TYR 11 HB2 TYR 11 37.187 -23.687 11.276
65 HB3 TYR 11 HB1 TYR 11 37.774 -25.111 10.416
66 HD1 TYR 11 HD2 TYR 11 39.387 -26.651 11.473
67 HD2 TYR 11 HD1 TYR 11 37.771 -23.284 13.595
68 HE1 TYR 11 HE2 TYR 11 40.177 -27.621 13.614
69 HE2 TYR 11 HE1 TYR 11 38.561 -24.254 15.736
70 HH TYR 11 HH TYR 11 40.161 -27.435 15.831
71 H GLY 12 HN GLY 12 38.521 -21.678 12.137
72 HA2 GLY 12 HA2 GLY 12 40.079 -21.877 14.300
73 HA3 GLY 12 HA1 GLY 12 41.217 -21.205 13.136
74 H ALA 13 HN ALA 13 39.413 -19.562 11.700
75 HA ALA 13 HA ALA 13 39.464 -17.213 13.255
76 HB1 ALA 13 HB1 ALA 13 38.231 -17.995 10.644
77 HB2 ALA 13 HB2 ALA 13 39.448 -16.766 10.985
78 HB3 ALA 13 HB3 ALA 13 37.757 -16.468 11.387
79 H ASP 14 HN ASP 14 38.412 -18.013 15.225
80 HA ASP 14 HA ASP 14 35.512 -18.378 15.072
81 HB2 ASP 14 HB2 ASP 14 35.913 -18.576 17.662
82 HB3 ASP 14 HB1 ASP 14 36.365 -19.903 16.593
83 H ASN 15 HN ASN 15 35.279 -16.108 14.295
84 HA ASN 15 HA ASN 15 34.714 -14.374 16.563
85 HB2 ASN 15 HB2 ASN 15 37.019 -13.978 14.819
86 HB3 ASN 15 HB1 ASN 15 35.936 -12.587 14.831
87 HD21 ASN 15 HD21 ASN 15 35.398 -11.664 17.026
88 HD22 ASN 15 HD22 ASN 15 36.519 -11.847 18.288
89 H GLN 16 HN GLN 16 35.138 -13.901 13.061
90 HA GLN 16 HA GLN 16 33.738 -12.673 11.635
91 HB2 GLN 16 HB2 GLN 16 31.803 -14.166 11.026
92 HB3 GLN 16 HB1 GLN 16 33.384 -14.945 11.009
93 HG2 GLN 16 HG2 GLN 16 31.650 -15.019 13.473
94 HG3 GLN 16 HG1 GLN 16 31.429 -16.189 12.175
95 HE21 GLN 16 HE21 GLN 16 32.491 -16.636 14.968
96 HE22 GLN 16 HE22 GLN 16 34.023 -17.335 14.749
97 H SER 17 HN SER 17 33.461 -11.469 14.103
98 HA SER 17 HA SER 17 30.572 -11.194 14.555
99 HB2 SER 17 HB2 SER 17 32.998 -10.274 16.095
100 HB3 SER 17 HB1 SER 17 31.370 -9.724 16.479
101 HG SER 17 HG SER 17 32.431 -11.835 17.401
102 H GLU 18 HN GLU 18 29.478 -9.270 14.283
103 HA GLU 18 HA GLU 18 30.571 -7.460 12.322
104 HB2 GLU 18 HB2 GLU 18 28.119 -8.240 12.568
105 HB3 GLU 18 HB1 GLU 18 28.010 -7.024 13.841
106 HG2 GLU 18 HG2 GLU 18 29.227 -5.574 11.893
107 HG3 GLU 18 HG1 GLU 18 28.261 -6.673 10.910
108 H CYS 19 HN CYS 19 32.365 -7.088 14.112
109 HA CYS 19 HA CYS 19 31.788 -4.450 15.232
110 HB2 CYS 19 HB2 CYS 19 31.420 -6.433 16.943
111 HB3 CYS 19 HB1 CYS 19 33.180 -6.382 17.038
112 HG CYS 19 HG CYS 19 31.442 -4.483 18.464
113 H GLU 20 HN GLU 20 33.319 -5.022 13.015
114 HA GLU 20 HA GLU 20 35.866 -3.935 13.805
115 HB2 GLU 20 HB2 GLU 20 36.538 -6.153 14.237
116 HB3 GLU 20 HB1 GLU 20 35.654 -6.783 12.846
117 HG2 GLU 20 HG2 GLU 20 37.227 -5.969 11.312
118 HG3 GLU 20 HG1 GLU 20 37.860 -4.778 12.447
119 H TYR 21 HN TYR 21 33.807 -5.330 11.311
120 HA TYR 21 HA TYR 21 35.190 -4.464 9.034
121 HB2 TYR 21 HB2 TYR 21 33.363 -5.180 7.879
122 HB3 TYR 21 HB1 TYR 21 32.921 -5.879 9.436
123 HD1 TYR 21 HD1 TYR 21 31.250 -4.799 10.881
124 HD2 TYR 21 HD2 TYR 21 32.253 -3.189 7.027
125 HE1 TYR 21 HE1 TYR 21 29.225 -3.369 10.952
126 HE2 TYR 21 HE2 TYR 21 30.229 -1.758 7.098
127 HH TYR 21 HH TYR 21 27.793 -2.092 8.531
128 H THR 22 HN THR 22 33.998 -2.596 11.490
129 HA THR 22 HA THR 22 33.345 -0.311 9.751
130 HB THR 22 HB THR 22 32.999 -0.668 12.739
131 HG1 THR 22 HG1 THR 22 30.805 -0.301 11.176
132 HG21 THR 22 HG21 THR 22 31.372 1.396 11.847
133 HG22 THR 22 HG22 THR 22 32.877 1.651 10.963
134 HG23 THR 22 HG23 THR 22 32.890 1.587 12.725
135 H ASP 23 HN ASP 23 35.526 -1.351 12.330
136 HA ASP 23 HA ASP 23 37.109 1.115 11.954
137 HB2 ASP 23 HB2 ASP 23 36.795 -0.795 14.252
138 HB3 ASP 23 HB1 ASP 23 38.217 0.239 14.129
139 H TRP 24 HN TRP 24 37.059 -1.449 10.315
140 HA TRP 24 HA TRP 24 39.294 -3.029 10.692
141 HB2 TRP 24 HB2 TRP 24 39.296 -3.028 8.053
142 HB3 TRP 24 HB1 TRP 24 37.969 -3.761 8.948
143 HD1 TRP 24 HD1 TRP 24 38.241 0.028 8.783
144 HE1 TRP 24 HE1 TRP 24 36.284 0.947 7.385
145 HE3 TRP 24 HE3 TRP 24 36.316 -4.345 6.978
146 HZ2 TRP 24 HZ2 TRP 24 34.177 -0.039 5.720
147 HZ3 TRP 24 HZ3 TRP 24 34.335 -4.325 5.490
148 HH2 TRP 24 HH2 TRP 24 33.264 -2.180 4.858
149 H LYS 25 HN LYS 25 39.738 -1.215 7.808
150 HA LYS 25 HA LYS 25 42.448 -0.616 8.434
151 HB2 LYS 25 HB2 LYS 25 40.816 0.678 6.249
152 HB3 LYS 25 HB1 LYS 25 42.555 0.387 6.280
153 HG2 LYS 25 HG2 LYS 25 42.114 -1.523 5.153
154 HG3 LYS 25 HG1 LYS 25 41.482 -2.141 6.679
155 HD2 LYS 25 HD2 LYS 25 39.736 -2.467 5.086
156 HD3 LYS 25 HD1 LYS 25 39.256 -1.062 6.037
157 HE2 LYS 25 HE2 LYS 25 39.036 0.028 4.070
158 HE3 LYS 25 HE1 LYS 25 40.798 0.031 3.995
159 HZ1 LYS 25 HZ1 LYS 25 38.883 -1.606 2.555
160 HZ2 LYS 25 HZ2 LYS 25 40.269 -2.418 3.110
161 HZ3 LYS 25 HZ3 LYS 25 40.422 -1.070 2.088
162 H SER 26 HN SER 26 41.701 0.463 10.557
163 HA SER 26 HA SER 26 41.642 3.370 10.077
164 HB2 SER 26 HB2 SER 26 39.343 2.536 10.675
165 HB3 SER 26 HB1 SER 26 40.001 2.005 12.220
166 HG SER 26 HG SER 26 39.483 4.555 11.261
167 H SER 27 HN SER 27 41.899 0.918 12.662
168 HA SER 27 HA SER 27 44.486 1.970 13.453
169 HB2 SER 27 HB2 SER 27 42.074 2.184 15.263
170 HB3 SER 27 HB1 SER 27 43.737 2.316 15.828
171 HG SER 27 HG SER 27 43.480 4.339 15.294
172 H GLY 28 HN GLY 28 42.980 -0.562 12.596
173 HA2 GLY 28 HA2 GLY 28 43.634 -2.792 12.916
174 HA3 GLY 28 HA1 GLY 28 44.376 -2.334 14.446
175 H ALA 29 HN ALA 29 41.368 -0.946 14.328
176 HA ALA 29 HA ALA 29 39.420 -1.341 15.483
177 HB1 ALA 29 HB1 ALA 29 39.498 -3.165 13.560
178 HB2 ALA 29 HB2 ALA 29 38.245 -3.204 14.801
179 HB3 ALA 29 HB3 ALA 29 39.647 -4.267 14.929
180 H LEU 30 HN LEU 30 41.815 -1.364 17.014
181 HA LEU 30 HA LEU 30 40.972 -3.145 19.211
182 HB2 LEU 30 HB2 LEU 30 43.733 -2.806 18.058
183 HB3 LEU 30 HB1 LEU 30 43.497 -3.313 19.731
184 HG LEU 30 HG LEU 30 41.919 -4.727 17.628
185 HD11 LEU 30 HD11 LEU 30 43.857 -6.293 17.288
186 HD12 LEU 30 HD12 LEU 30 44.885 -5.123 18.116
187 HD13 LEU 30 HD13 LEU 30 44.111 -4.693 16.591
188 HD21 LEU 30 HD21 LEU 30 43.436 -5.735 20.053
189 HD22 LEU 30 HD22 LEU 30 42.171 -6.579 19.159
190 HD23 LEU 30 HD23 LEU 30 41.771 -5.155 20.120
191 H ILE 31 HN ILE 31 42.317 -0.139 18.103
192 HA ILE 31 HA ILE 31 42.831 0.844 20.782
193 HB ILE 31 HB ILE 31 43.500 1.636 18.069
194 HG12 ILE 31 HG12 ILE 31 45.030 1.031 19.985
195 HG13 ILE 31 HG11 ILE 31 45.446 2.526 19.152
196 HG21 ILE 31 HG21 ILE 31 42.549 3.827 19.949
197 HG22 ILE 31 HG22 ILE 31 41.922 3.461 18.340
198 HG23 ILE 31 HG23 ILE 31 43.552 4.095 18.527
199 HD11 ILE 31 HD11 ILE 31 45.091 3.776 21.005
200 HD12 ILE 31 HD12 ILE 31 45.115 2.252 21.889
201 HD13 ILE 31 HD13 ILE 31 43.579 2.951 21.380
202 HA PRO 32 HA PRO 32 38.931 3.485 19.389
203 HB2 PRO 32 HB2 PRO 32 37.438 1.321 18.009
204 HB3 PRO 32 HB1 PRO 32 37.598 3.033 17.579
205 HG2 PRO 32 HG2 PRO 32 38.851 1.119 16.209
206 HG3 PRO 32 HG1 PRO 32 39.582 2.710 16.477
207 HD2 PRO 32 HD2 PRO 32 40.194 0.103 17.818
208 HD3 PRO 32 HD1 PRO 32 41.293 1.427 17.369
209 H ALA 33 HN ALA 33 38.736 0.001 20.010
210 HA ALA 33 HA ALA 33 36.374 -0.024 21.532
211 HB1 ALA 33 HB1 ALA 33 38.027 -1.985 22.639
212 HB2 ALA 33 HB2 ALA 33 38.566 -1.841 20.966
213 HB3 ALA 33 HB3 ALA 33 36.876 -2.202 21.320
214 H ILE 34 HN ILE 34 39.657 0.864 22.339
215 HA ILE 34 HA ILE 34 39.102 0.970 25.196
216 HB ILE 34 HB ILE 34 41.544 1.800 23.610
217 HG12 ILE 34 HG12 ILE 34 41.247 -0.596 25.424
218 HG13 ILE 34 HG11 ILE 34 40.808 -0.686 23.718
219 HG21 ILE 34 HG21 ILE 34 42.316 1.292 26.207
220 HG22 ILE 34 HG22 ILE 34 40.758 2.087 26.431
221 HG23 ILE 34 HG23 ILE 34 42.040 2.899 25.533
222 HD11 ILE 34 HD11 ILE 34 43.513 0.214 24.752
223 HD12 ILE 34 HD12 ILE 34 43.059 -0.006 23.062
224 HD13 ILE 34 HD13 ILE 34 43.162 -1.401 24.137
225 H TYR 35 HN TYR 35 39.584 3.185 22.485
226 HA TYR 35 HA TYR 35 39.710 5.610 23.840
227 HB2 TYR 35 HB2 TYR 35 39.575 4.837 21.197
228 HB3 TYR 35 HB1 TYR 35 38.061 5.713 21.422
229 HD1 TYR 35 HD1 TYR 35 41.747 5.959 21.968
230 HD2 TYR 35 HD2 TYR 35 38.032 8.073 21.542
231 HE1 TYR 35 HE1 TYR 35 42.980 8.110 21.896
232 HE2 TYR 35 HE2 TYR 35 39.265 10.224 21.470
233 HH TYR 35 HH TYR 35 42.827 10.306 21.650
234 H MET 36 HN MET 36 36.908 3.641 22.984
235 HA MET 36 HA MET 36 34.976 5.583 23.856
236 HB2 MET 36 HB2 MET 36 34.737 2.617 23.298
237 HB3 MET 36 HB1 MET 36 33.375 3.682 23.644
238 HG2 MET 36 HG2 MET 36 34.972 4.914 21.617
239 HG3 MET 36 HG1 MET 36 34.665 3.245 21.139
240 HE1 MET 36 HE1 MET 36 33.290 6.680 22.056
241 HE2 MET 36 HE2 MET 36 31.966 6.766 20.898
242 HE3 MET 36 HE3 MET 36 33.605 6.459 20.330
243 H LEU 37 HN LEU 37 36.299 2.575 25.223
244 HA LEU 37 HA LEU 37 34.824 2.411 27.550
245 HB2 LEU 37 HB2 LEU 37 36.549 0.759 26.765
246 HB3 LEU 37 HB1 LEU 37 37.794 1.865 27.338
247 HG LEU 37 HG LEU 37 36.786 1.768 29.621
248 HD11 LEU 37 HD11 LEU 37 34.844 0.035 28.155
249 HD12 LEU 37 HD12 LEU 37 34.572 1.140 29.501
250 HD13 LEU 37 HD13 LEU 37 35.283 -0.447 29.793
251 HD21 LEU 37 HD21 LEU 37 37.422 -0.687 30.014
252 HD22 LEU 37 HD22 LEU 37 38.648 0.329 29.256
253 HD23 LEU 37 HD23 LEU 37 37.694 -0.781 28.274
254 H VAL 38 HN VAL 38 37.258 4.712 26.668
255 HA VAL 38 HA VAL 38 37.412 5.743 29.419
256 HB VAL 38 HB VAL 38 38.995 6.468 26.941
257 HG11 VAL 38 HG11 VAL 38 40.453 7.463 28.928
258 HG12 VAL 38 HG12 VAL 38 38.886 7.549 29.732
259 HG13 VAL 38 HG13 VAL 38 39.145 8.403 28.210
260 HG21 VAL 38 HG21 VAL 38 39.204 4.322 28.843
261 HG22 VAL 38 HG22 VAL 38 40.578 5.408 29.056
262 HG23 VAL 38 HG23 VAL 38 40.262 4.684 27.479
263 H PHE 39 HN PHE 39 35.728 6.217 26.538
264 HA PHE 39 HA PHE 39 35.343 9.088 26.901
265 HB2 PHE 39 HB2 PHE 39 35.516 7.876 24.633
266 HB3 PHE 39 HB1 PHE 39 33.865 7.339 24.944
267 HD1 PHE 39 HD1 PHE 39 36.012 10.381 24.692
268 HD2 PHE 39 HD2 PHE 39 32.024 8.787 24.602
269 HE1 PHE 39 HE1 PHE 39 35.150 12.580 23.936
270 HE2 PHE 39 HE2 PHE 39 31.163 10.986 23.846
271 HZ PHE 39 HZ PHE 39 32.725 12.883 23.513
272 H LEU 40 HN LEU 40 33.033 6.414 26.394
273 HA LEU 40 HA LEU 40 30.791 7.639 27.422
274 HB2 LEU 40 HB2 LEU 40 29.937 5.350 27.905
275 HB3 LEU 40 HB1 LEU 40 30.643 5.497 26.297
276 HG LEU 40 HG LEU 40 32.830 4.768 27.802
277 HD11 LEU 40 HD11 LEU 40 30.427 3.229 28.835
278 HD12 LEU 40 HD12 LEU 40 31.355 4.398 29.774
279 HD13 LEU 40 HD13 LEU 40 32.116 2.905 29.226
280 HD21 LEU 40 HD21 LEU 40 32.149 3.831 25.627
281 HD22 LEU 40 HD22 LEU 40 30.828 2.963 26.408
282 HD23 LEU 40 HD23 LEU 40 32.500 2.540 26.774
283 H LEU 41 HN LEU 41 33.537 6.398 29.139
284 HA LEU 41 HA LEU 41 32.414 6.008 31.686
285 HB2 LEU 41 HB2 LEU 41 35.096 6.362 30.546
286 HB3 LEU 41 HB1 LEU 41 34.951 6.957 32.198
287 HG LEU 41 HG LEU 41 35.613 4.534 32.036
288 HD11 LEU 41 HD11 LEU 41 33.616 5.755 33.679
289 HD12 LEU 41 HD12 LEU 41 34.696 4.423 34.085
290 HD13 LEU 41 HD13 LEU 41 33.122 4.093 33.363
291 HD21 LEU 41 HD21 LEU 41 32.844 3.711 31.449
292 HD22 LEU 41 HD22 LEU 41 34.366 3.009 30.903
293 HD23 LEU 41 HD23 LEU 41 33.697 4.416 30.076
294 H GLY 42 HN GLY 42 33.358 8.907 29.971
295 HA2 GLY 42 HA2 GLY 42 32.851 10.548 32.364
296 HA3 GLY 42 HA1 GLY 42 33.655 11.094 30.896
297 H THR 43 HN THR 43 31.639 9.827 29.156
298 HA THR 43 HA THR 43 29.559 11.894 29.435
299 HB THR 43 HB THR 43 29.222 11.730 27.102
300 HG1 THR 43 HG1 THR 43 30.755 9.843 26.230
301 HG21 THR 43 HG21 THR 43 32.092 11.118 26.899
302 HG22 THR 43 HG22 THR 43 31.701 12.322 28.126
303 HG23 THR 43 HG23 THR 43 31.219 12.582 26.449
304 H THR 44 HN THR 44 28.054 10.152 27.396
305 HA THR 44 HA THR 44 26.252 8.731 27.458
306 HB THR 44 HB THR 44 27.920 7.290 29.534
307 HG1 THR 44 HG1 THR 44 29.159 6.990 27.878
308 HG21 THR 44 HG21 THR 44 25.535 6.527 27.848
309 HG22 THR 44 HG22 THR 44 25.724 6.394 29.597
310 HG23 THR 44 HG23 THR 44 26.620 5.314 28.529
311 H GLY 45 HN GLY 45 27.186 8.300 30.846
312 HA2 GLY 45 HA2 GLY 45 24.933 9.951 31.732
313 HA3 GLY 45 HA1 GLY 45 24.904 8.244 32.164
314 H ASN 46 HN ASN 46 27.434 10.764 32.089
315 HA ASN 46 HA ASN 46 27.828 10.453 34.973
316 HB2 ASN 46 HB2 ASN 46 30.184 10.215 33.107
317 HB3 ASN 46 HB1 ASN 46 30.121 9.881 34.837
318 HD21 ASN 46 HD21 ASN 46 30.170 8.338 31.873
319 HD22 ASN 46 HD22 ASN 46 29.412 6.884 32.315
320 H GLY 47 HN GLY 47 27.714 12.475 35.696
321 HA2 GLY 47 HA2 GLY 47 28.538 14.643 36.048
322 HA3 GLY 47 HA1 GLY 47 29.449 14.517 34.545
323 H LEU 48 HN LEU 48 27.270 13.687 32.889
324 HA LEU 48 HA LEU 48 26.028 16.285 32.465
325 HB2 LEU 48 HB2 LEU 48 26.729 14.018 30.837
326 HB3 LEU 48 HB1 LEU 48 25.022 14.403 30.616
327 HG LEU 48 HG LEU 48 27.254 16.448 30.471
328 HD11 LEU 48 HD11 LEU 48 26.106 16.197 27.955
329 HD12 LEU 48 HD12 LEU 48 26.231 14.528 28.511
330 HD13 LEU 48 HD13 LEU 48 27.671 15.544 28.439
331 HD21 LEU 48 HD21 LEU 48 24.441 16.673 30.765
332 HD22 LEU 48 HD22 LEU 48 24.807 17.107 29.095
333 HD23 LEU 48 HD23 LEU 48 25.590 17.967 30.422
334 H VAL 49 HN VAL 49 25.256 13.316 33.964
335 HA VAL 49 HA VAL 49 22.410 13.409 33.579
336 HB VAL 49 HB VAL 49 24.231 11.863 35.417
337 HG11 VAL 49 HG11 VAL 49 21.939 10.607 35.839
338 HG12 VAL 49 HG12 VAL 49 21.251 12.192 35.484
339 HG13 VAL 49 HG13 VAL 49 22.384 12.002 36.823
340 HG21 VAL 49 HG21 VAL 49 23.519 11.493 32.798
341 HG22 VAL 49 HG22 VAL 49 22.280 10.551 33.626
342 HG23 VAL 49 HG23 VAL 49 23.985 10.188 33.889
343 H LEU 50 HN LEU 50 24.120 13.505 36.694
344 HA LEU 50 HA LEU 50 22.159 14.732 38.180
345 HB2 LEU 50 HB2 LEU 50 24.050 15.590 39.622
346 HB3 LEU 50 HB1 LEU 50 24.100 13.859 39.282
347 HG LEU 50 HG LEU 50 25.468 15.328 37.198
348 HD11 LEU 50 HD11 LEU 50 27.349 16.161 38.565
349 HD12 LEU 50 HD12 LEU 50 26.473 15.728 40.033
350 HD13 LEU 50 HD13 LEU 50 25.851 16.996 38.977
351 HD21 LEU 50 HD21 LEU 50 26.392 13.333 39.292
352 HD22 LEU 50 HD22 LEU 50 27.295 13.782 37.846
353 HD23 LEU 50 HD23 LEU 50 25.757 12.933 37.696
354 H TRP 51 HN TRP 51 23.935 16.079 35.618
355 HA TRP 51 HA TRP 51 23.933 18.817 36.430
356 HB2 TRP 51 HB2 TRP 51 25.398 18.648 34.705
357 HB3 TRP 51 HB1 TRP 51 24.540 17.289 33.979
358 HD1 TRP 51 HD1 TRP 51 22.489 17.833 32.365
359 HE1 TRP 51 HE1 TRP 51 21.870 19.957 31.041
360 HE3 TRP 51 HE3 TRP 51 25.471 21.243 34.723
361 HZ2 TRP 51 HZ2 TRP 51 22.551 22.735 30.988
362 HZ3 TRP 51 HZ3 TRP 51 25.467 23.619 34.016
363 HH2 TRP 51 HH2 TRP 51 24.012 24.368 32.153
364 H THR 52 HN THR 52 21.851 16.950 34.214
365 HA THR 52 HA THR 52 20.053 19.041 33.631
366 HB THR 52 HB THR 52 20.352 16.666 32.551
367 HG1 THR 52 HG1 THR 52 18.026 16.844 31.970
368 HG21 THR 52 HG21 THR 52 17.982 16.077 34.312
369 HG22 THR 52 HG22 THR 52 19.613 15.646 34.827
370 HG23 THR 52 HG23 THR 52 18.946 14.960 33.346
371 H VAL 53 HN VAL 53 20.416 17.016 36.406
372 HA VAL 53 HA VAL 53 17.769 17.221 37.433
373 HB VAL 53 HB VAL 53 20.392 16.742 38.867
374 HG11 VAL 53 HG11 VAL 53 17.532 16.786 39.728
375 HG12 VAL 53 HG12 VAL 53 18.982 17.226 40.630
376 HG13 VAL 53 HG13 VAL 53 18.569 15.527 40.398
377 HG21 VAL 53 HG21 VAL 53 18.284 14.864 37.751
378 HG22 VAL 53 HG22 VAL 53 19.642 14.360 38.756
379 HG23 VAL 53 HG23 VAL 53 19.935 15.051 37.160
380 H PHE 54 HN PHE 54 20.779 18.942 38.288
381 HA PHE 54 HA PHE 54 19.353 20.842 39.930
382 HB2 PHE 54 HB2 PHE 54 22.182 20.284 39.225
383 HB3 PHE 54 HB1 PHE 54 21.798 21.945 39.672
384 HD1 PHE 54 HD2 PHE 54 20.287 22.236 41.806
385 HD2 PHE 54 HD1 PHE 54 22.587 18.717 40.919
386 HE1 PHE 54 HE2 PHE 54 20.214 21.584 44.198
387 HE2 PHE 54 HE1 PHE 54 22.514 18.066 43.310
388 HZ PHE 54 HZ PHE 54 21.328 19.500 44.950
389 H ARG 55 HN ARG 55 18.858 20.559 36.932
390 HA ARG 55 HA ARG 55 19.222 23.416 36.249
391 HB2 ARG 55 HB2 ARG 55 20.031 21.064 34.813
392 HB3 ARG 55 HB1 ARG 55 18.824 21.941 33.873
393 HG2 ARG 55 HG2 ARG 55 21.274 23.219 35.124
394 HG3 ARG 55 HG1 ARG 55 21.171 22.713 33.438
395 HD2 ARG 55 HD2 ARG 55 20.183 24.662 32.921
396 HD3 ARG 55 HD1 ARG 55 18.851 24.268 34.003
397 HE ARG 55 HE ARG 55 20.724 25.198 35.717
398 HH11 ARG 55 HH21 ARG 55 19.463 26.352 32.708
399 HH12 ARG 55 HH22 ARG 55 19.693 28.024 33.095
400 HH21 ARG 55 HH11 ARG 55 21.028 27.389 36.231
401 HH22 ARG 55 HH12 ARG 55 20.578 28.612 35.089
402 H LYS 56 HN LYS 56 17.044 20.870 36.793
403 HA LYS 56 HA LYS 56 14.894 22.224 35.301
404 HB2 LYS 56 HB2 LYS 56 13.680 20.202 35.379
405 HB3 LYS 56 HB1 LYS 56 15.344 19.710 35.064
406 HG2 LYS 56 HG2 LYS 56 15.573 19.492 37.622
407 HG3 LYS 56 HG1 LYS 56 13.811 19.561 37.660
408 HD2 LYS 56 HD2 LYS 56 13.687 17.633 36.139
409 HD3 LYS 56 HD1 LYS 56 15.448 17.571 36.060
410 HE2 LYS 56 HE2 LYS 56 14.364 15.953 37.706
411 HE3 LYS 56 HE1 LYS 56 15.626 16.989 38.373
412 HZ1 LYS 56 HZ1 LYS 56 14.155 18.152 39.597
413 HZ2 LYS 56 HZ2 LYS 56 13.230 16.732 39.472
414 HZ3 LYS 56 HZ3 LYS 56 12.918 18.047 38.441
415 H LYS 57 HN LYS 57 15.768 21.048 38.532
416 HA LYS 57 HA LYS 57 13.369 22.254 39.678
417 HB2 LYS 57 HB2 LYS 57 14.246 21.339 41.821
418 HB3 LYS 57 HB1 LYS 57 14.034 20.105 40.579
419 HG2 LYS 57 HG2 LYS 57 16.642 21.128 40.217
420 HG3 LYS 57 HG1 LYS 57 16.449 20.893 41.954
421 HD2 LYS 57 HD2 LYS 57 15.829 18.806 39.845
422 HD3 LYS 57 HD1 LYS 57 17.293 18.845 40.829
423 HE2 LYS 57 HE2 LYS 57 15.087 19.087 42.606
424 HE3 LYS 57 HE1 LYS 57 14.722 17.760 41.503
425 HZ1 LYS 57 HZ1 LYS 57 16.730 16.683 42.058
426 HZ2 LYS 57 HZ2 LYS 57 16.028 17.151 43.533
427 HZ3 LYS 57 HZ3 LYS 57 17.327 18.037 42.888
428 H GLY 58 HN GLY 58 15.172 24.034 38.415
429 HA2 GLY 58 HA2 GLY 58 16.886 25.313 40.312
430 HA3 GLY 58 HA1 GLY 58 16.369 25.975 38.764
431 H HIS 59 HN HIS 59 15.564 27.944 39.171
432 HA HIS 59 HA HIS 59 13.860 28.342 41.536
433 HB2 HIS 59 HB2 HIS 59 15.741 29.986 40.065
434 HB3 HIS 59 HB1 HIS 59 14.178 30.789 40.220
435 HD2 HIS 59 HD2 HIS 59 16.549 28.857 42.798
436 HE1 HIS 59 HE1 HIS 59 14.738 32.141 44.735
437 HE2 HIS 59 HE2 HIS 59 16.353 30.203 45.026
438 H HIS 60 HN HIS 60 13.884 29.385 38.117
439 HA HIS 60 HA HIS 60 12.125 29.976 36.735
440 HB2 HIS 60 HB2 HIS 60 12.135 27.286 37.210
441 HB3 HIS 60 HB1 HIS 60 10.482 27.710 37.654
442 HD2 HIS 60 HD2 HIS 60 11.511 26.230 34.668
443 HE1 HIS 60 HE1 HIS 60 9.769 29.741 33.099
444 HE2 HIS 60 HE2 HIS 60 10.568 27.398 32.532
445 H HIS 61 HN HIS 61 9.377 29.463 36.953
446 HA HIS 61 HA HIS 61 7.541 30.685 37.662
447 HB2 HIS 61 HB2 HIS 61 8.304 28.790 39.535
448 HB3 HIS 61 HB1 HIS 61 8.082 30.251 40.497
449 HD2 HIS 61 HD2 HIS 61 5.915 28.205 37.849
450 HE1 HIS 61 HE1 HIS 61 3.327 30.269 40.469
451 HE2 HIS 61 HE2 HIS 61 3.430 28.637 38.527
452 H HIS 62 HN HIS 62 10.206 32.119 37.598
453 HA HIS 62 HA HIS 62 10.443 33.917 39.733
454 HB2 HIS 62 HB2 HIS 62 11.479 33.671 37.028
455 HB3 HIS 62 HB1 HIS 62 11.185 35.355 37.463
456 HD2 HIS 62 HD2 HIS 62 12.514 32.607 40.002
457 HE1 HIS 62 HE1 HIS 62 15.414 35.654 39.639
458 HE2 HIS 62 HE2 HIS 62 14.802 33.518 40.869
459 H HIS 63 HN HIS 63 9.957 36.261 39.680
460 HA HIS 63 HA HIS 63 7.218 36.767 39.480
461 HB2 HIS 63 HB2 HIS 63 9.608 38.608 39.557
462 HB3 HIS 63 HB1 HIS 63 7.952 39.216 39.534
463 HD2 HIS 63 HD2 HIS 63 6.362 37.808 41.757
464 HE1 HIS 63 HE1 HIS 63 9.780 37.814 44.235
465 HE2 HIS 63 HE2 HIS 63 7.257 37.523 44.193
466 H HIS 64 HN HIS 64 6.211 38.484 38.086
467 HA HIS 64 HA HIS 64 7.287 39.115 35.537
468 HB2 HIS 64 HB2 HIS 64 5.933 37.692 34.119
469 HB3 HIS 64 HB1 HIS 64 6.878 36.674 35.205
470 HD2 HIS 64 HD2 HIS 64 4.915 36.785 37.855
471 HE1 HIS 64 HE1 HIS 64 1.905 35.408 35.234
472 HE2 HIS 64 HE2 HIS 64 2.562 35.668 37.674
Start of MODEL 2
1 H1 MET 1 HT1 MET 1 8.243 16.504 49.943
2 H2 MET 1 HT2 MET 1 7.863 15.249 48.863
3 H3 MET 1 HT3 MET 1 9.276 16.165 48.640
4 HA MET 1 HA MET 1 10.318 15.244 50.519
5 HB2 MET 1 HB2 MET 1 7.516 14.335 51.133
6 HB3 MET 1 HB1 MET 1 8.895 13.480 51.825
7 HG2 MET 1 HG2 MET 1 8.945 16.449 52.008
8 HG3 MET 1 HG1 MET 1 7.768 15.616 53.023
9 HE1 MET 1 HE1 MET 1 9.543 16.170 55.707
10 HE2 MET 1 HE2 MET 1 9.147 17.184 54.322
11 HE3 MET 1 HE3 MET 1 10.830 16.985 54.807
12 H GLU 2 HN GLU 2 10.640 12.713 50.957
13 HA GLU 2 HA GLU 2 10.164 11.242 48.443
14 HB2 GLU 2 HB2 GLU 2 12.798 11.655 49.860
15 HB3 GLU 2 HB1 GLU 2 12.532 10.340 48.714
16 HG2 GLU 2 HG2 GLU 2 12.643 11.729 46.933
17 HG3 GLU 2 HG1 GLU 2 11.612 12.932 47.704
18 H GLU 3 HN GLU 3 8.563 10.035 49.530
19 HA GLU 3 HA GLU 3 9.674 7.975 51.315
20 HB2 GLU 3 HB2 GLU 3 7.272 9.715 51.849
21 HB3 GLU 3 HB1 GLU 3 7.452 8.129 52.598
22 HG2 GLU 3 HG2 GLU 3 9.611 10.242 52.729
23 HG3 GLU 3 HG1 GLU 3 8.346 10.102 53.950
24 H GLY 4 HN GLY 4 9.367 7.460 48.713
25 HA2 GLY 4 HA2 GLY 4 8.191 5.208 48.224
26 HA3 GLY 4 HA1 GLY 4 6.732 6.183 48.372
27 H GLY 5 HN GLY 5 9.790 7.230 46.954
28 HA2 GLY 5 HA2 GLY 5 8.426 8.053 44.533
29 HA3 GLY 5 HA1 GLY 5 10.127 8.300 44.912
30 H ASP 6 HN ASP 6 11.633 6.661 44.441
31 HA ASP 6 HA ASP 6 12.529 5.123 42.967
32 HB2 ASP 6 HB2 ASP 6 11.341 3.807 44.884
33 HB3 ASP 6 HB1 ASP 6 10.180 3.377 43.629
34 H PHE 7 HN PHE 7 12.304 6.024 40.944
35 HA PHE 7 HA PHE 7 10.332 4.776 39.219
36 HB2 PHE 7 HB2 PHE 7 9.045 6.687 39.981
37 HB3 PHE 7 HB1 PHE 7 10.386 7.776 39.623
38 HD1 PHE 7 HD2 PHE 7 7.959 5.407 38.079
39 HD2 PHE 7 HD1 PHE 7 10.737 8.618 37.429
40 HE1 PHE 7 HE2 PHE 7 7.158 5.626 35.742
41 HE2 PHE 7 HE1 PHE 7 9.936 8.837 35.091
42 HZ PHE 7 HZ PHE 7 8.147 7.341 34.248
43 H ASP 8 HN ASP 8 11.251 4.333 37.317
44 HA ASP 8 HA ASP 8 13.243 6.113 36.162
45 HB2 ASP 8 HB2 ASP 8 13.898 3.314 37.083
46 HB3 ASP 8 HB1 ASP 8 14.850 4.167 35.870
47 H ASN 9 HN ASN 9 10.748 5.627 35.197
48 HA ASN 9 HA ASN 9 9.555 4.842 33.391
49 HB2 ASN 9 HB2 ASN 9 11.648 6.105 32.438
50 HB3 ASN 9 HB1 ASN 9 12.153 4.491 31.942
51 HD21 ASN 9 HD21 ASN 9 11.607 6.241 29.883
52 HD22 ASN 9 HD22 ASN 9 10.123 5.861 29.152
53 H TYR 10 HN TYR 10 10.201 2.854 35.274
54 HA TYR 10 HA TYR 10 10.475 0.571 35.537
55 HB2 TYR 10 HB2 TYR 10 8.254 0.951 34.273
56 HB3 TYR 10 HB1 TYR 10 9.121 0.356 32.858
57 HD1 TYR 10 HD1 TYR 10 8.355 -0.509 36.419
58 HD2 TYR 10 HD2 TYR 10 9.355 -1.954 32.498
59 HE1 TYR 10 HE1 TYR 10 8.024 -2.841 37.193
60 HE2 TYR 10 HE2 TYR 10 9.025 -4.287 33.274
61 HH TYR 10 HH TYR 10 8.574 -5.601 35.001
62 H TYR 11 HN TYR 11 12.687 0.255 35.371
63 HA TYR 11 HA TYR 11 14.243 0.274 33.066
64 HB2 TYR 11 HB2 TYR 11 15.904 -0.797 34.325
65 HB3 TYR 11 HB1 TYR 11 14.935 0.016 35.555
66 HD1 TYR 11 HD1 TYR 11 13.028 -1.330 36.658
67 HD2 TYR 11 HD2 TYR 11 16.205 -3.132 34.396
68 HE1 TYR 11 HE1 TYR 11 12.553 -3.514 37.730
69 HE2 TYR 11 HE2 TYR 11 15.730 -5.317 35.470
70 HH TYR 11 HH TYR 11 13.042 -5.681 37.782
71 H GLY 12 HN GLY 12 15.306 -1.700 32.082
72 HA2 GLY 12 HA2 GLY 12 15.151 -3.998 31.407
73 HA3 GLY 12 HA1 GLY 12 13.437 -3.963 31.805
74 H ALA 13 HN ALA 13 15.272 -1.582 29.932
75 HA ALA 13 HA ALA 13 13.415 -2.019 27.690
76 HB1 ALA 13 HB1 ALA 13 13.460 0.266 28.427
77 HB2 ALA 13 HB2 ALA 13 14.328 0.195 26.893
78 HB3 ALA 13 HB3 ALA 13 15.224 0.295 28.409
79 H ASP 14 HN ASP 14 14.985 -4.059 27.595
80 HA ASP 14 HA ASP 14 17.421 -3.458 26.088
81 HB2 ASP 14 HB2 ASP 14 16.255 -6.026 27.174
82 HB3 ASP 14 HB1 ASP 14 17.715 -5.965 26.187
83 H ASN 15 HN ASN 15 16.116 -2.550 24.292
84 HA ASN 15 HA ASN 15 15.436 -4.686 22.390
85 HB2 ASN 15 HB2 ASN 15 13.642 -2.480 23.325
86 HB3 ASN 15 HB1 ASN 15 13.532 -3.025 21.653
87 HD21 ASN 15 HD21 ASN 15 12.999 -3.986 25.013
88 HD22 ASN 15 HD22 ASN 15 12.177 -5.427 24.653
89 H GLN 16 HN GLN 16 17.441 -2.309 23.018
90 HA GLN 16 HA GLN 16 17.276 -0.822 20.520
91 HB2 GLN 16 HB2 GLN 16 19.221 0.399 21.379
92 HB3 GLN 16 HB1 GLN 16 17.949 0.324 22.600
93 HG2 GLN 16 HG2 GLN 16 19.393 -1.987 23.076
94 HG3 GLN 16 HG1 GLN 16 20.647 -0.823 22.646
95 HE21 GLN 16 HE21 GLN 16 18.180 -1.608 25.045
96 HE22 GLN 16 HE22 GLN 16 18.635 -0.415 26.163
97 H SER 17 HN SER 17 17.484 -3.115 19.485
98 HA SER 17 HA SER 17 20.132 -4.239 19.389
99 HB2 SER 17 HB2 SER 17 18.987 -5.978 18.565
100 HB3 SER 17 HB1 SER 17 17.520 -5.002 18.562
101 HG SER 17 HG SER 17 18.843 -5.901 16.488
102 H GLU 18 HN GLU 18 21.782 -3.478 18.246
103 HA GLU 18 HA GLU 18 21.267 -2.175 15.662
104 HB2 GLU 18 HB2 GLU 18 22.055 -0.792 18.038
105 HB3 GLU 18 HB1 GLU 18 23.405 -0.771 16.903
106 HG2 GLU 18 HG2 GLU 18 21.891 0.052 15.128
107 HG3 GLU 18 HG1 GLU 18 20.555 0.056 16.278
108 H CYS 19 HN CYS 19 22.258 -3.614 14.363
109 HA CYS 19 HA CYS 19 25.130 -4.075 14.803
110 HB2 CYS 19 HB2 CYS 19 25.010 -6.383 14.678
111 HB3 CYS 19 HB1 CYS 19 23.537 -6.026 15.580
112 HG CYS 19 HG CYS 19 22.738 -5.973 12.744
113 H GLU 20 HN GLU 20 22.893 -2.818 12.878
114 HA GLU 20 HA GLU 20 24.015 -3.834 10.353
115 HB2 GLU 20 HB2 GLU 20 21.405 -3.055 11.155
116 HB3 GLU 20 HB1 GLU 20 21.953 -1.891 9.948
117 HG2 GLU 20 HG2 GLU 20 22.570 -3.751 8.440
118 HG3 GLU 20 HG1 GLU 20 21.994 -4.907 9.640
119 H TYR 21 HN TYR 21 23.690 -0.946 12.323
120 HA TYR 21 HA TYR 21 25.129 0.644 10.312
121 HB2 TYR 21 HB2 TYR 21 23.543 2.103 11.014
122 HB3 TYR 21 HB1 TYR 21 23.281 1.240 12.530
123 HD1 TYR 21 HD2 TYR 21 24.780 1.615 14.471
124 HD2 TYR 21 HD1 TYR 21 25.152 3.895 10.849
125 HE1 TYR 21 HE2 TYR 21 26.173 3.285 15.664
126 HE2 TYR 21 HE1 TYR 21 26.543 5.565 12.042
127 HH TYR 21 HH TYR 21 26.718 5.790 15.342
128 H THR 22 HN THR 22 25.681 -1.173 13.117
129 HA THR 22 HA THR 22 28.108 0.342 13.812
130 HB THR 22 HB THR 22 26.908 -2.007 15.287
131 HG1 THR 22 HG1 THR 22 25.416 -0.324 15.223
132 HG21 THR 22 HG21 THR 22 28.201 -0.980 17.173
133 HG22 THR 22 HG22 THR 22 28.892 0.161 16.020
134 HG23 THR 22 HG23 THR 22 29.221 -1.565 15.858
135 H ASP 23 HN ASP 23 27.007 -2.564 12.304
136 HA ASP 23 HA ASP 23 29.597 -3.888 12.497
137 HB2 ASP 23 HB2 ASP 23 27.445 -5.161 12.609
138 HB3 ASP 23 HB1 ASP 23 27.148 -4.717 10.929
139 H TRP 24 HN TRP 24 28.067 -1.633 10.483
140 HA TRP 24 HA TRP 24 28.954 -2.287 7.925
141 HB2 TRP 24 HB2 TRP 24 28.605 -0.010 7.356
142 HB3 TRP 24 HB1 TRP 24 27.443 -0.352 8.638
143 HD1 TRP 24 HD1 TRP 24 28.945 -0.033 11.218
144 HE1 TRP 24 HE1 TRP 24 30.046 2.186 11.934
145 HE3 TRP 24 HE3 TRP 24 29.408 2.232 6.664
146 HZ2 TRP 24 HZ2 TRP 24 30.997 4.602 10.733
147 HZ3 TRP 24 HZ3 TRP 24 30.414 4.490 6.479
148 HH2 TRP 24 HH2 TRP 24 31.208 5.677 8.505
149 H LYS 25 HN LYS 25 30.668 -0.770 10.606
150 HA LYS 25 HA LYS 25 33.215 -1.478 9.460
151 HB2 LYS 25 HB2 LYS 25 32.137 1.129 8.921
152 HB3 LYS 25 HB1 LYS 25 33.551 1.285 9.962
153 HG2 LYS 25 HG2 LYS 25 34.845 -0.142 8.407
154 HG3 LYS 25 HG1 LYS 25 33.436 -0.255 7.352
155 HD2 LYS 25 HD2 LYS 25 34.497 1.528 6.346
156 HD3 LYS 25 HD1 LYS 25 33.551 2.409 7.546
157 HE2 LYS 25 HE2 LYS 25 35.800 3.235 7.707
158 HE3 LYS 25 HE1 LYS 25 35.541 2.197 9.109
159 HZ1 LYS 25 HZ1 LYS 25 37.570 1.499 8.272
160 HZ2 LYS 25 HZ2 LYS 25 37.075 1.634 6.652
161 HZ3 LYS 25 HZ3 LYS 25 36.488 0.367 7.621
162 H SER 26 HN SER 26 33.998 -2.402 11.259
163 HA SER 26 HA SER 26 34.439 -0.717 13.598
164 HB2 SER 26 HB2 SER 26 32.912 -1.667 14.936
165 HB3 SER 26 HB1 SER 26 32.267 -2.515 13.533
166 HG SER 26 HG SER 26 33.316 -4.278 14.106
167 H SER 27 HN SER 27 34.862 -3.818 11.965
168 HA SER 27 HA SER 27 36.579 -5.348 11.993
169 HB2 SER 27 HB2 SER 27 38.152 -2.826 12.559
170 HB3 SER 27 HB1 SER 27 38.855 -4.364 12.068
171 HG SER 27 HG SER 27 36.963 -3.934 10.357
172 H GLY 28 HN GLY 28 35.148 -5.162 14.409
173 HA2 GLY 28 HA2 GLY 28 35.282 -5.978 16.560
174 HA3 GLY 28 HA1 GLY 28 36.933 -6.471 16.193
175 H ALA 29 HN ALA 29 36.491 -3.212 15.519
176 HA ALA 29 HA ALA 29 37.423 -1.329 16.462
177 HB1 ALA 29 HB1 ALA 29 35.408 -1.299 17.747
178 HB2 ALA 29 HB2 ALA 29 36.727 -0.976 18.872
179 HB3 ALA 29 HB3 ALA 29 35.992 -2.578 18.811
180 H LEU 30 HN LEU 30 39.617 -1.681 16.256
181 HA LEU 30 HA LEU 30 41.092 -3.332 18.089
182 HB2 LEU 30 HB2 LEU 30 42.069 -1.245 16.126
183 HB3 LEU 30 HB1 LEU 30 43.069 -2.450 16.937
184 HG LEU 30 HG LEU 30 41.057 -3.988 15.837
185 HD11 LEU 30 HD11 LEU 30 41.820 -1.816 13.861
186 HD12 LEU 30 HD12 LEU 30 40.223 -2.029 14.578
187 HD13 LEU 30 HD13 LEU 30 40.873 -3.257 13.491
188 HD21 LEU 30 HD21 LEU 30 42.803 -4.663 14.211
189 HD22 LEU 30 HD22 LEU 30 43.470 -4.487 15.835
190 HD23 LEU 30 HD23 LEU 30 43.737 -3.226 14.630
191 H ILE 31 HN ILE 31 41.801 0.068 17.379
192 HA ILE 31 HA ILE 31 42.595 0.481 20.132
193 HB ILE 31 HB ILE 31 42.819 2.046 17.595
194 HG12 ILE 31 HG12 ILE 31 44.493 0.339 18.740
195 HG13 ILE 31 HG11 ILE 31 45.095 1.799 17.959
196 HG21 ILE 31 HG21 ILE 31 42.871 3.169 20.398
197 HG22 ILE 31 HG22 ILE 31 42.053 3.808 18.970
198 HG23 ILE 31 HG23 ILE 31 43.808 3.902 19.096
199 HD11 ILE 31 HD11 ILE 31 45.962 1.262 20.340
200 HD12 ILE 31 HD12 ILE 31 44.373 1.792 20.890
201 HD13 ILE 31 HD13 ILE 31 45.422 2.909 20.018
202 HA PRO 32 HA PRO 32 38.778 3.541 19.648
203 HB2 PRO 32 HB2 PRO 32 36.923 1.636 18.330
204 HB3 PRO 32 HB1 PRO 32 37.147 3.372 18.047
205 HG2 PRO 32 HG2 PRO 32 38.007 1.533 16.311
206 HG3 PRO 32 HG1 PRO 32 38.884 3.048 16.591
207 HD2 PRO 32 HD2 PRO 32 39.529 0.288 17.556
208 HD3 PRO 32 HD1 PRO 32 40.624 1.595 17.059
209 H ALA 33 HN ALA 33 38.665 0.057 20.070
210 HA ALA 33 HA ALA 33 36.485 -0.159 21.819
211 HB1 ALA 33 HB1 ALA 33 37.905 -2.172 22.713
212 HB2 ALA 33 HB2 ALA 33 38.964 -1.782 21.357
213 HB3 ALA 33 HB3 ALA 33 37.278 -2.210 21.064
214 H ILE 34 HN ILE 34 39.824 0.787 22.380
215 HA ILE 34 HA ILE 34 39.463 0.836 25.272
216 HB ILE 34 HB ILE 34 41.773 1.476 23.441
217 HG12 ILE 34 HG12 ILE 34 42.804 -0.405 24.674
218 HG13 ILE 34 HG11 ILE 34 41.337 -0.571 25.640
219 HG21 ILE 34 HG21 ILE 34 41.349 2.111 26.344
220 HG22 ILE 34 HG22 ILE 34 42.170 3.060 25.103
221 HG23 ILE 34 HG23 ILE 34 42.958 1.641 25.795
222 HD11 ILE 34 HD11 ILE 34 41.142 -0.640 22.645
223 HD12 ILE 34 HD12 ILE 34 40.085 -1.381 23.847
224 HD13 ILE 34 HD13 ILE 34 41.669 -2.082 23.513
225 H TYR 35 HN TYR 35 39.706 3.088 22.567
226 HA TYR 35 HA TYR 35 39.879 5.474 24.068
227 HB2 TYR 35 HB2 TYR 35 39.895 4.823 21.384
228 HB3 TYR 35 HB1 TYR 35 38.381 5.709 21.568
229 HD1 TYR 35 HD1 TYR 35 38.481 7.942 22.904
230 HD2 TYR 35 HD2 TYR 35 41.925 5.993 21.232
231 HE1 TYR 35 HE1 TYR 35 39.741 10.076 23.012
232 HE2 TYR 35 HE2 TYR 35 43.184 8.127 21.340
233 HH TYR 35 HH TYR 35 41.723 11.053 22.749
234 H MET 36 HN MET 36 37.166 3.478 23.076
235 HA MET 36 HA MET 36 35.162 5.400 23.852
236 HB2 MET 36 HB2 MET 36 35.015 2.454 23.180
237 HB3 MET 36 HB1 MET 36 33.607 3.451 23.544
238 HG2 MET 36 HG2 MET 36 35.291 4.772 21.599
239 HG3 MET 36 HG1 MET 36 34.868 3.151 21.043
240 HE1 MET 36 HE1 MET 36 33.748 6.755 21.647
241 HE2 MET 36 HE2 MET 36 32.521 6.714 20.384
242 HE3 MET 36 HE3 MET 36 34.155 6.158 20.032
243 H LEU 37 HN LEU 37 36.893 2.775 25.370
244 HA LEU 37 HA LEU 37 35.134 2.478 27.608
245 HB2 LEU 37 HB2 LEU 37 37.707 1.391 26.721
246 HB3 LEU 37 HB1 LEU 37 37.619 1.616 28.466
247 HG LEU 37 HG LEU 37 36.812 -0.637 27.699
248 HD11 LEU 37 HD11 LEU 37 35.579 1.189 29.513
249 HD12 LEU 37 HD12 LEU 37 35.595 -0.572 29.587
250 HD13 LEU 37 HD13 LEU 37 34.299 0.261 28.731
251 HD21 LEU 37 HD21 LEU 37 35.584 0.795 25.693
252 HD22 LEU 37 HD22 LEU 37 34.236 0.452 26.778
253 HD23 LEU 37 HD23 LEU 37 35.197 -0.872 26.119
254 H VAL 38 HN VAL 38 36.460 5.178 26.775
255 HA VAL 38 HA VAL 38 37.024 5.997 29.544
256 HB VAL 38 HB VAL 38 38.731 6.715 27.148
257 HG11 VAL 38 HG11 VAL 38 38.560 7.739 29.970
258 HG12 VAL 38 HG12 VAL 38 38.763 8.644 28.469
259 HG13 VAL 38 HG13 VAL 38 40.114 7.728 29.136
260 HG21 VAL 38 HG21 VAL 38 39.325 5.118 29.662
261 HG22 VAL 38 HG22 VAL 38 40.500 5.532 28.414
262 HG23 VAL 38 HG23 VAL 38 39.159 4.452 28.038
263 H PHE 39 HN PHE 39 35.664 6.576 26.458
264 HA PHE 39 HA PHE 39 35.215 9.415 26.881
265 HB2 PHE 39 HB2 PHE 39 35.507 8.080 24.617
266 HB3 PHE 39 HB1 PHE 39 33.768 7.840 24.791
267 HD1 PHE 39 HD2 PHE 39 36.444 10.407 24.561
268 HD2 PHE 39 HD1 PHE 39 32.219 9.635 24.467
269 HE1 PHE 39 HE2 PHE 39 36.041 12.715 23.745
270 HE2 PHE 39 HE1 PHE 39 31.817 11.943 23.649
271 HZ PHE 39 HZ PHE 39 33.727 13.482 23.289
272 H LEU 40 HN LEU 40 33.036 6.635 26.333
273 HA LEU 40 HA LEU 40 30.715 7.956 27.258
274 HB2 LEU 40 HB2 LEU 40 29.719 5.695 27.343
275 HB3 LEU 40 HB1 LEU 40 30.596 5.968 25.837
276 HG LEU 40 HG LEU 40 32.563 4.968 27.498
277 HD11 LEU 40 HD11 LEU 40 29.984 3.457 28.018
278 HD12 LEU 40 HD12 LEU 40 30.860 4.419 29.208
279 HD13 LEU 40 HD13 LEU 40 31.593 2.960 28.541
280 HD21 LEU 40 HD21 LEU 40 32.308 2.908 26.149
281 HD22 LEU 40 HD22 LEU 40 32.149 4.351 25.147
282 HD23 LEU 40 HD23 LEU 40 30.712 3.450 25.631
283 H LEU 41 HN LEU 41 33.377 6.622 28.925
284 HA LEU 41 HA LEU 41 32.011 5.941 31.361
285 HB2 LEU 41 HB2 LEU 41 34.691 5.771 30.314
286 HB3 LEU 41 HB1 LEU 41 34.720 6.482 31.928
287 HG LEU 41 HG LEU 41 33.229 3.939 31.226
288 HD11 LEU 41 HD11 LEU 41 35.275 2.974 31.222
289 HD12 LEU 41 HD12 LEU 41 35.315 3.311 32.953
290 HD13 LEU 41 HD13 LEU 41 36.049 4.443 31.817
291 HD21 LEU 41 HD21 LEU 41 33.092 5.709 33.434
292 HD22 LEU 41 HD22 LEU 41 33.980 4.291 33.991
293 HD23 LEU 41 HD23 LEU 41 32.367 4.106 33.302
294 H GLY 42 HN GLY 42 33.005 8.855 29.904
295 HA2 GLY 42 HA2 GLY 42 33.158 10.295 32.460
296 HA3 GLY 42 HA1 GLY 42 33.582 10.944 30.878
297 H THR 43 HN THR 43 31.374 10.398 29.374
298 HA THR 43 HA THR 43 29.013 11.373 30.789
299 HB THR 43 HB THR 43 30.214 13.434 30.161
300 HG1 THR 43 HG1 THR 43 28.462 14.358 29.233
301 HG21 THR 43 HG21 THR 43 31.075 13.817 28.078
302 HG22 THR 43 HG22 THR 43 29.771 12.948 27.268
303 HG23 THR 43 HG23 THR 43 31.099 12.055 28.008
304 H THR 44 HN THR 44 28.128 12.269 27.973
305 HA THR 44 HA THR 44 26.914 11.373 26.242
306 HB THR 44 HB THR 44 28.629 8.905 26.502
307 HG1 THR 44 HG1 THR 44 29.315 11.122 24.929
308 HG21 THR 44 HG21 THR 44 27.868 8.404 24.427
309 HG22 THR 44 HG22 THR 44 27.992 10.075 23.881
310 HG23 THR 44 HG23 THR 44 26.577 9.548 24.790
311 H GLY 45 HN GLY 45 27.715 8.376 27.984
312 HA2 GLY 45 HA2 GLY 45 24.839 7.788 28.172
313 HA3 GLY 45 HA1 GLY 45 26.145 6.618 28.340
314 H ASN 46 HN ASN 46 26.251 9.719 29.940
315 HA ASN 46 HA ASN 46 25.251 8.677 32.460
316 HB2 ASN 46 HB2 ASN 46 28.152 9.493 32.184
317 HB3 ASN 46 HB1 ASN 46 27.337 9.052 33.683
318 HD21 ASN 46 HD21 ASN 46 28.677 7.771 30.675
319 HD22 ASN 46 HD22 ASN 46 28.551 6.135 31.110
320 H GLY 47 HN GLY 47 24.032 10.290 33.186
321 HA2 GLY 47 HA2 GLY 47 23.639 12.411 34.106
322 HA3 GLY 47 HA1 GLY 47 25.141 12.981 33.382
323 H LEU 48 HN LEU 48 24.246 11.697 30.776
324 HA LEU 48 HA LEU 48 22.554 13.948 29.903
325 HB2 LEU 48 HB2 LEU 48 24.861 12.626 28.790
326 HB3 LEU 48 HB1 LEU 48 23.506 12.525 27.664
327 HG LEU 48 HG LEU 48 24.401 15.089 29.009
328 HD11 LEU 48 HD11 LEU 48 24.850 15.210 26.234
329 HD12 LEU 48 HD12 LEU 48 25.493 13.648 26.743
330 HD13 LEU 48 HD13 LEU 48 26.074 15.131 27.501
331 HD21 LEU 48 HD21 LEU 48 22.027 14.349 27.650
332 HD22 LEU 48 HD22 LEU 48 22.947 15.352 26.528
333 HD23 LEU 48 HD23 LEU 48 22.525 15.974 28.124
334 H VAL 49 HN VAL 49 22.597 10.538 30.353
335 HA VAL 49 HA VAL 49 20.576 9.850 28.450
336 HB VAL 49 HB VAL 49 21.802 8.487 30.830
337 HG11 VAL 49 HG11 VAL 49 19.598 7.707 31.077
338 HG12 VAL 49 HG12 VAL 49 20.323 6.499 30.017
339 HG13 VAL 49 HG13 VAL 49 19.287 7.754 29.342
340 HG21 VAL 49 HG21 VAL 49 22.664 8.661 28.313
341 HG22 VAL 49 HG22 VAL 49 21.516 7.343 28.078
342 HG23 VAL 49 HG23 VAL 49 22.838 7.166 29.231
343 H LEU 50 HN LEU 50 20.570 10.768 31.860
344 HA LEU 50 HA LEU 50 17.749 10.287 32.199
345 HB2 LEU 50 HB2 LEU 50 18.284 11.798 34.311
346 HB3 LEU 50 HB1 LEU 50 18.812 10.116 34.236
347 HG LEU 50 HG LEU 50 20.625 12.194 33.084
348 HD11 LEU 50 HD11 LEU 50 21.606 12.599 35.324
349 HD12 LEU 50 HD12 LEU 50 20.297 11.670 36.054
350 HD13 LEU 50 HD13 LEU 50 19.946 13.188 35.226
351 HD21 LEU 50 HD21 LEU 50 21.405 9.940 34.902
352 HD22 LEU 50 HD22 LEU 50 22.266 10.602 33.514
353 HD23 LEU 50 HD23 LEU 50 20.868 9.557 33.266
354 H TRP 51 HN TRP 51 19.807 13.154 31.781
355 HA TRP 51 HA TRP 51 18.021 15.200 32.095
356 HB2 TRP 51 HB2 TRP 51 19.894 16.247 31.433
357 HB3 TRP 51 HB1 TRP 51 20.487 14.800 30.617
358 HD1 TRP 51 HD1 TRP 51 19.629 14.394 28.077
359 HE1 TRP 51 HE1 TRP 51 18.931 16.088 26.263
360 HE3 TRP 51 HE3 TRP 51 18.814 18.514 30.983
361 HZ2 TRP 51 HZ2 TRP 51 18.134 18.828 26.069
362 HZ3 TRP 51 HZ3 TRP 51 18.087 20.650 29.958
363 HH2 TRP 51 HH2 TRP 51 17.746 20.813 27.508
364 H THR 52 HN THR 52 18.316 13.030 29.322
365 HA THR 52 HA THR 52 16.421 14.403 27.683
366 HB THR 52 HB THR 52 17.537 11.595 27.618
367 HG1 THR 52 HG1 THR 52 17.991 13.187 25.505
368 HG21 THR 52 HG21 THR 52 15.359 12.888 26.044
369 HG22 THR 52 HG22 THR 52 15.582 11.192 26.473
370 HG23 THR 52 HG23 THR 52 16.523 11.900 25.159
371 H VAL 53 HN VAL 53 16.207 11.370 29.558
372 HA VAL 53 HA VAL 53 13.558 10.743 29.149
373 HB VAL 53 HB VAL 53 15.085 10.498 31.753
374 HG11 VAL 53 HG11 VAL 53 12.769 10.090 32.185
375 HG12 VAL 53 HG12 VAL 53 13.510 8.500 31.997
376 HG13 VAL 53 HG13 VAL 53 12.574 9.199 30.676
377 HG21 VAL 53 HG21 VAL 53 16.103 9.510 29.605
378 HG22 VAL 53 HG22 VAL 53 14.724 8.411 29.593
379 HG23 VAL 53 HG23 VAL 53 15.854 8.392 30.947
380 H PHE 54 HN PHE 54 14.865 13.427 30.870
381 HA PHE 54 HA PHE 54 12.324 13.982 32.225
382 HB2 PHE 54 HB2 PHE 54 14.981 14.419 32.929
383 HB3 PHE 54 HB1 PHE 54 14.385 16.018 32.487
384 HD1 PHE 54 HD1 PHE 54 11.655 16.131 33.259
385 HD2 PHE 54 HD2 PHE 54 14.887 14.116 35.245
386 HE1 PHE 54 HE1 PHE 54 10.426 16.276 35.408
387 HE2 PHE 54 HE2 PHE 54 13.658 14.260 37.392
388 HZ PHE 54 HZ PHE 54 11.427 15.341 37.475
389 H ARG 55 HN ARG 55 12.794 14.143 29.250
390 HA ARG 55 HA ARG 55 11.837 16.919 28.905
391 HB2 ARG 55 HB2 ARG 55 13.766 15.421 27.115
392 HB3 ARG 55 HB1 ARG 55 13.030 16.976 26.726
393 HG2 ARG 55 HG2 ARG 55 14.124 17.187 29.348
394 HG3 ARG 55 HG1 ARG 55 15.358 16.466 28.315
395 HD2 ARG 55 HD2 ARG 55 15.561 18.887 28.208
396 HD3 ARG 55 HD1 ARG 55 14.980 18.292 26.656
397 HE ARG 55 HE ARG 55 12.792 18.978 28.352
398 HH11 ARG 55 HH21 ARG 55 15.327 20.295 26.397
399 HH12 ARG 55 HH22 ARG 55 14.472 21.756 26.030
400 HH21 ARG 55 HH11 ARG 55 11.665 20.892 27.874
401 HH22 ARG 55 HH12 ARG 55 12.399 22.093 26.866
402 H LYS 56 HN LYS 56 12.182 13.821 27.159
403 HA LYS 56 HA LYS 56 10.176 14.109 25.299
404 HB2 LYS 56 HB2 LYS 56 10.644 11.526 26.792
405 HB3 LYS 56 HB1 LYS 56 10.134 11.736 25.117
406 HG2 LYS 56 HG2 LYS 56 12.507 13.166 25.235
407 HG3 LYS 56 HG1 LYS 56 12.832 11.763 26.253
408 HD2 LYS 56 HD2 LYS 56 11.762 11.681 23.415
409 HD3 LYS 56 HD1 LYS 56 13.406 11.275 23.910
410 HE2 LYS 56 HE2 LYS 56 11.763 9.751 25.592
411 HE3 LYS 56 HE1 LYS 56 11.006 9.638 24.002
412 HZ1 LYS 56 HZ1 LYS 56 12.675 7.924 24.296
413 HZ2 LYS 56 HZ2 LYS 56 13.863 9.097 24.608
414 HZ3 LYS 56 HZ3 LYS 56 13.144 8.999 23.072
415 H LYS 57 HN LYS 57 9.819 12.717 28.567
416 HA LYS 57 HA LYS 57 6.945 12.611 28.348
417 HB2 LYS 57 HB2 LYS 57 8.801 12.218 30.707
418 HB3 LYS 57 HB1 LYS 57 7.060 11.936 30.743
419 HG2 LYS 57 HG2 LYS 57 7.253 9.957 29.665
420 HG3 LYS 57 HG1 LYS 57 8.378 10.622 28.479
421 HD2 LYS 57 HD2 LYS 57 9.450 8.862 29.852
422 HD3 LYS 57 HD1 LYS 57 10.219 10.432 30.097
423 HE2 LYS 57 HE2 LYS 57 9.505 10.590 32.259
424 HE3 LYS 57 HE1 LYS 57 7.950 9.839 31.904
425 HZ1 LYS 57 HZ1 LYS 57 9.744 8.584 33.293
426 HZ2 LYS 57 HZ2 LYS 57 10.378 8.200 31.765
427 HZ3 LYS 57 HZ3 LYS 57 8.791 7.748 32.167
428 H GLY 58 HN GLY 58 7.860 15.206 27.832
429 HA2 GLY 58 HA2 GLY 58 7.945 17.007 29.937
430 HA3 GLY 58 HA1 GLY 58 7.287 17.377 28.347
431 H HIS 59 HN HIS 59 5.044 17.162 27.981
432 HA HIS 59 HA HIS 59 3.444 17.278 30.449
433 HB2 HIS 59 HB2 HIS 59 2.501 18.035 27.689
434 HB3 HIS 59 HB1 HIS 59 1.863 18.556 29.249
435 HD2 HIS 59 HD2 HIS 59 3.772 20.252 26.645
436 HE1 HIS 59 HE1 HIS 59 5.689 21.564 30.170
437 HE2 HIS 59 HE2 HIS 59 5.408 22.002 27.685
438 H HIS 60 HN HIS 60 3.339 15.892 27.165
439 HA HIS 60 HA HIS 60 1.061 14.348 27.368
440 HB2 HIS 60 HB2 HIS 60 3.151 14.588 25.551
441 HB3 HIS 60 HB1 HIS 60 3.213 12.897 26.047
442 HD2 HIS 60 HD2 HIS 60 0.655 11.493 25.653
443 HE1 HIS 60 HE1 HIS 60 -0.738 14.295 22.820
444 HE2 HIS 60 HE2 HIS 60 -1.135 11.995 23.819
445 H HIS 61 HN HIS 61 0.496 12.470 28.334
446 HA HIS 61 HA HIS 61 2.431 11.306 30.215
447 HB2 HIS 61 HB2 HIS 61 0.436 10.228 31.222
448 HB3 HIS 61 HB1 HIS 61 0.296 11.985 31.173
449 HD2 HIS 61 HD2 HIS 61 -1.910 12.914 29.753
450 HE1 HIS 61 HE1 HIS 61 -3.022 9.243 27.989
451 HE2 HIS 61 HE2 HIS 61 -3.692 11.672 28.303
452 H HIS 62 HN HIS 62 2.478 8.951 30.460
453 HA HIS 62 HA HIS 62 3.030 7.618 28.059
454 HB2 HIS 62 HB2 HIS 62 2.714 6.832 30.906
455 HB3 HIS 62 HB1 HIS 62 2.593 5.541 29.708
456 HD2 HIS 62 HD2 HIS 62 5.121 8.587 29.422
457 HE1 HIS 62 HE1 HIS 62 7.328 4.997 29.663
458 HE2 HIS 62 HE2 HIS 62 7.496 7.508 29.322
459 H HIS 63 HN HIS 63 1.495 7.432 26.521
460 HA HIS 63 HA HIS 63 -1.228 7.270 26.745
461 HB2 HIS 63 HB2 HIS 63 0.628 6.928 24.691
462 HB3 HIS 63 HB1 HIS 63 -0.288 5.422 24.710
463 HD2 HIS 63 HD2 HIS 63 -0.811 9.166 23.783
464 HE1 HIS 63 HE1 HIS 63 -4.516 7.211 23.266
465 HE2 HIS 63 HE2 HIS 63 -3.248 9.374 22.869
466 H HIS 64 HN HIS 64 -2.750 5.546 26.744
467 HA HIS 64 HA HIS 64 -2.321 3.561 28.671
468 HB2 HIS 64 HB2 HIS 64 -4.569 4.027 28.317
469 HB3 HIS 64 HB1 HIS 64 -4.401 4.013 26.561
470 HD2 HIS 64 HD2 HIS 64 -4.631 1.459 25.365
471 HE1 HIS 64 HE1 HIS 64 -5.346 -0.671 28.939
472 HE2 HIS 64 HE2 HIS 64 -5.319 -0.835 26.405
Start of MODEL 3
1 H1 MET 1 HT1 MET 1 68.018 -22.268 -41.195
2 H2 MET 1 HT2 MET 1 69.332 -22.170 -40.122
3 H3 MET 1 HT3 MET 1 69.383 -23.244 -41.437
4 HA MET 1 HA MET 1 70.588 -20.918 -41.505
5 HB2 MET 1 HB2 MET 1 69.347 -22.686 -43.521
6 HB3 MET 1 HB1 MET 1 69.730 -21.063 -44.097
7 HG2 MET 1 HG2 MET 1 71.739 -22.691 -42.542
8 HG3 MET 1 HG1 MET 1 71.583 -22.853 -44.291
9 HE1 MET 1 HE1 MET 1 74.300 -21.463 -42.388
10 HE2 MET 1 HE2 MET 1 74.797 -20.906 -43.984
11 HE3 MET 1 HE3 MET 1 74.024 -22.479 -43.811
12 H GLU 2 HN GLU 2 69.650 -19.120 -40.578
13 HA GLU 2 HA GLU 2 68.257 -17.299 -40.342
14 HB2 GLU 2 HB2 GLU 2 68.211 -17.635 -43.351
15 HB3 GLU 2 HB1 GLU 2 67.671 -16.194 -42.489
16 HG2 GLU 2 HG2 GLU 2 69.916 -15.919 -41.520
17 HG3 GLU 2 HG1 GLU 2 70.463 -17.369 -42.360
18 H GLU 3 HN GLU 3 66.893 -19.529 -39.679
19 HA GLU 3 HA GLU 3 64.182 -18.787 -40.231
20 HB2 GLU 3 HB2 GLU 3 64.350 -19.970 -42.263
21 HB3 GLU 3 HB1 GLU 3 65.335 -21.243 -41.541
22 HG2 GLU 3 HG2 GLU 3 63.507 -22.209 -40.435
23 HG3 GLU 3 HG1 GLU 3 62.547 -20.735 -40.533
24 H GLY 4 HN GLY 4 63.675 -18.806 -38.108
25 HA2 GLY 4 HA2 GLY 4 62.775 -20.879 -36.690
26 HA3 GLY 4 HA1 GLY 4 64.506 -21.018 -36.396
27 H GLY 5 HN GLY 5 65.102 -18.231 -36.379
28 HA2 GLY 5 HA2 GLY 5 64.747 -17.588 -33.688
29 HA3 GLY 5 HA1 GLY 5 65.177 -16.431 -34.946
30 H ASP 6 HN ASP 6 62.744 -17.498 -32.811
31 HA ASP 6 HA ASP 6 60.996 -15.329 -33.665
32 HB2 ASP 6 HB2 ASP 6 59.640 -16.678 -34.849
33 HB3 ASP 6 HB1 ASP 6 60.444 -18.131 -34.257
34 H PHE 7 HN PHE 7 59.604 -14.620 -32.040
35 HA PHE 7 HA PHE 7 59.695 -16.038 -29.464
36 HB2 PHE 7 HB2 PHE 7 60.405 -13.127 -29.890
37 HB3 PHE 7 HB1 PHE 7 60.099 -13.854 -28.312
38 HD1 PHE 7 HD2 PHE 7 61.618 -15.567 -27.392
39 HD2 PHE 7 HD1 PHE 7 62.426 -13.622 -31.136
40 HE1 PHE 7 HE2 PHE 7 63.957 -16.388 -27.314
41 HE2 PHE 7 HE1 PHE 7 64.765 -14.443 -31.057
42 HZ PHE 7 HZ PHE 7 65.531 -15.826 -29.147
43 H ASP 8 HN ASP 8 57.747 -16.146 -28.542
44 HA ASP 8 HA ASP 8 55.791 -14.024 -28.909
45 HB2 ASP 8 HB2 ASP 8 55.563 -15.625 -30.880
46 HB3 ASP 8 HB1 ASP 8 55.037 -16.834 -29.710
47 H ASN 9 HN ASN 9 56.858 -14.427 -26.568
48 HA ASN 9 HA ASN 9 54.749 -15.789 -25.041
49 HB2 ASN 9 HB2 ASN 9 56.845 -17.261 -25.358
50 HB3 ASN 9 HB1 ASN 9 57.639 -16.128 -24.266
51 HD21 ASN 9 HD21 ASN 9 54.533 -17.978 -24.410
52 HD22 ASN 9 HD22 ASN 9 54.542 -18.385 -22.762
53 H TYR 10 HN TYR 10 55.030 -13.044 -25.493
54 HA TYR 10 HA TYR 10 56.504 -11.619 -23.589
55 HB2 TYR 10 HB2 TYR 10 54.035 -11.072 -25.182
56 HB3 TYR 10 HB1 TYR 10 54.449 -9.971 -23.866
57 HD1 TYR 10 HD2 TYR 10 55.683 -11.480 -27.029
58 HD2 TYR 10 HD1 TYR 10 56.307 -8.470 -24.029
59 HE1 TYR 10 HE2 TYR 10 57.399 -10.407 -28.463
60 HE2 TYR 10 HE1 TYR 10 58.023 -7.398 -25.462
61 HH TYR 10 HH TYR 10 58.610 -8.498 -28.761
62 H TYR 11 HN TYR 11 56.373 -11.522 -21.446
63 HA TYR 11 HA TYR 11 54.555 -12.991 -19.907
64 HB2 TYR 11 HB2 TYR 11 55.903 -10.507 -18.874
65 HB3 TYR 11 HB1 TYR 11 55.562 -12.013 -18.023
66 HD1 TYR 11 HD1 TYR 11 56.800 -14.121 -18.710
67 HD2 TYR 11 HD2 TYR 11 57.930 -10.209 -20.077
68 HE1 TYR 11 HE1 TYR 11 59.036 -14.989 -19.344
69 HE2 TYR 11 HE2 TYR 11 60.166 -11.076 -20.709
70 HH TYR 11 HH TYR 11 61.517 -13.643 -19.620
71 H GLY 12 HN GLY 12 53.081 -12.012 -18.220
72 HA2 GLY 12 HA2 GLY 12 51.694 -9.593 -19.161
73 HA3 GLY 12 HA1 GLY 12 50.769 -11.081 -18.978
74 H ALA 13 HN ALA 13 51.362 -12.192 -16.726
75 HA ALA 13 HA ALA 13 50.855 -12.086 -14.479
76 HB1 ALA 13 HB1 ALA 13 53.284 -11.247 -14.699
77 HB2 ALA 13 HB2 ALA 13 52.431 -10.899 -13.195
78 HB3 ALA 13 HB3 ALA 13 52.611 -9.640 -14.418
79 H ASP 14 HN ASP 14 48.665 -11.300 -15.384
80 HA ASP 14 HA ASP 14 48.078 -8.513 -14.711
81 HB2 ASP 14 HB2 ASP 14 46.130 -10.587 -15.714
82 HB3 ASP 14 HB1 ASP 14 45.998 -8.831 -15.811
83 H ASN 15 HN ASN 15 48.781 -9.539 -12.422
84 HA ASN 15 HA ASN 15 46.238 -9.929 -10.992
85 HB2 ASN 15 HB2 ASN 15 48.041 -12.007 -11.414
86 HB3 ASN 15 HB1 ASN 15 48.408 -11.444 -9.784
87 HD21 ASN 15 HD21 ASN 15 46.680 -11.571 -8.162
88 HD22 ASN 15 HD22 ASN 15 45.309 -12.536 -8.424
89 H GLN 16 HN GLN 16 48.213 -7.705 -11.410
90 HA GLN 16 HA GLN 16 49.614 -7.330 -8.940
91 HB2 GLN 16 HB2 GLN 16 49.989 -5.042 -9.765
92 HB3 GLN 16 HB1 GLN 16 50.340 -6.234 -11.018
93 HG2 GLN 16 HG2 GLN 16 47.647 -5.749 -11.390
94 HG3 GLN 16 HG1 GLN 16 48.265 -4.159 -10.943
95 HE21 GLN 16 HE21 GLN 16 49.063 -6.902 -13.151
96 HE22 GLN 16 HE22 GLN 16 49.671 -5.913 -14.388
97 H SER 17 HN SER 17 47.508 -7.964 -7.746
98 HA SER 17 HA SER 17 46.255 -5.460 -6.856
99 HB2 SER 17 HB2 SER 17 44.780 -7.934 -7.760
100 HB3 SER 17 HB1 SER 17 44.044 -6.699 -6.742
101 HG SER 17 HG SER 17 44.154 -6.672 -9.313
102 H GLU 18 HN GLU 18 44.533 -6.424 -4.997
103 HA GLU 18 HA GLU 18 44.594 -6.957 -2.747
104 HB2 GLU 18 HB2 GLU 18 44.244 -9.158 -4.052
105 HB3 GLU 18 HB1 GLU 18 45.925 -9.505 -3.640
106 HG2 GLU 18 HG2 GLU 18 45.410 -9.216 -1.250
107 HG3 GLU 18 HG1 GLU 18 43.733 -8.846 -1.650
108 H CYS 19 HN CYS 19 46.093 -5.479 -1.939
109 HA CYS 19 HA CYS 19 48.488 -6.637 -0.852
110 HB2 CYS 19 HB2 CYS 19 48.813 -5.632 -3.383
111 HB3 CYS 19 HB1 CYS 19 49.225 -4.238 -2.384
112 HG CYS 19 HG CYS 19 50.587 -6.877 -1.551
113 H GLU 20 HN GLU 20 45.975 -5.134 -0.143
114 HA GLU 20 HA GLU 20 47.281 -3.157 1.603
115 HB2 GLU 20 HB2 GLU 20 46.427 -1.725 -0.067
116 HB3 GLU 20 HB1 GLU 20 44.946 -2.669 -0.238
117 HG2 GLU 20 HG2 GLU 20 44.054 -1.874 1.785
118 HG3 GLU 20 HG1 GLU 20 45.632 -1.371 2.390
119 H TYR 21 HN TYR 21 44.495 -5.190 0.881
120 HA TYR 21 HA TYR 21 43.042 -4.759 3.256
121 HB2 TYR 21 HB2 TYR 21 41.690 -6.487 2.556
122 HB3 TYR 21 HB1 TYR 21 42.479 -6.092 1.029
123 HD1 TYR 21 HD1 TYR 21 45.126 -7.201 1.230
124 HD2 TYR 21 HD2 TYR 21 41.420 -8.811 2.689
125 HE1 TYR 21 HE1 TYR 21 46.077 -9.489 1.121
126 HE2 TYR 21 HE2 TYR 21 42.371 -11.098 2.580
127 HH TYR 21 HH TYR 21 44.851 -11.976 0.860
128 H THR 22 HN THR 22 46.110 -5.873 2.988
129 HA THR 22 HA THR 22 45.953 -7.939 5.042
130 HB THR 22 HB THR 22 48.337 -6.736 3.615
131 HG1 THR 22 HG1 THR 22 46.918 -7.949 2.296
132 HG21 THR 22 HG21 THR 22 49.273 -9.043 4.493
133 HG22 THR 22 HG22 THR 22 48.012 -8.853 5.711
134 HG23 THR 22 HG23 THR 22 49.270 -7.628 5.545
135 H ASP 23 HN ASP 23 46.460 -4.552 4.796
136 HA ASP 23 HA ASP 23 47.761 -4.402 7.422
137 HB2 ASP 23 HB2 ASP 23 48.326 -2.987 5.256
138 HB3 ASP 23 HB1 ASP 23 47.007 -1.978 5.848
139 H TRP 24 HN TRP 24 44.885 -5.190 6.896
140 HA TRP 24 HA TRP 24 43.075 -3.211 7.598
141 HB2 TRP 24 HB2 TRP 24 41.886 -5.255 8.783
142 HB3 TRP 24 HB1 TRP 24 42.035 -5.190 7.030
143 HD1 TRP 24 HD1 TRP 24 45.084 -5.977 9.169
144 HE1 TRP 24 HE1 TRP 24 45.793 -8.417 8.746
145 HE3 TRP 24 HE3 TRP 24 41.143 -7.561 6.333
146 HZ2 TRP 24 HZ2 TRP 24 44.819 -10.737 7.384
147 HZ3 TRP 24 HZ3 TRP 24 41.060 -9.889 5.487
148 HH2 TRP 24 HH2 TRP 24 42.891 -11.478 6.008
149 H LYS 25 HN LYS 25 43.179 -5.554 10.114
150 HA LYS 25 HA LYS 25 42.964 -3.772 12.213
151 HB2 LYS 25 HB2 LYS 25 44.332 -6.468 12.344
152 HB3 LYS 25 HB1 LYS 25 43.562 -5.607 13.677
153 HG2 LYS 25 HG2 LYS 25 41.612 -6.592 13.145
154 HG3 LYS 25 HG1 LYS 25 41.645 -5.754 11.593
155 HD2 LYS 25 HD2 LYS 25 42.957 -7.573 10.607
156 HD3 LYS 25 HD1 LYS 25 43.005 -8.404 12.162
157 HE2 LYS 25 HE2 LYS 25 40.303 -7.659 11.200
158 HE3 LYS 25 HE1 LYS 25 41.129 -8.902 10.261
159 HZ1 LYS 25 HZ1 LYS 25 40.741 -10.366 11.856
160 HZ2 LYS 25 HZ2 LYS 25 39.837 -9.199 12.697
161 HZ3 LYS 25 HZ3 LYS 25 41.496 -9.384 13.015
162 H SER 26 HN SER 26 45.921 -5.706 11.845
163 HA SER 26 HA SER 26 48.115 -5.212 12.332
164 HB2 SER 26 HB2 SER 26 47.892 -3.954 10.233
165 HB3 SER 26 HB1 SER 26 47.306 -2.554 11.127
166 HG SER 26 HG SER 26 49.803 -3.235 10.626
167 H SER 27 HN SER 27 46.341 -4.913 14.498
168 HA SER 27 HA SER 27 46.499 -4.183 16.683
169 HB2 SER 27 HB2 SER 27 48.581 -2.149 16.066
170 HB3 SER 27 HB1 SER 27 48.457 -3.256 17.429
171 HG SER 27 HG SER 27 49.193 -4.900 16.147
172 H GLY 28 HN GLY 28 45.551 -2.502 14.061
173 HA2 GLY 28 HA2 GLY 28 45.024 0.054 15.368
174 HA3 GLY 28 HA1 GLY 28 44.632 -0.372 13.703
175 H ALA 29 HN ALA 29 43.578 -2.972 15.239
176 HA ALA 29 HA ALA 29 40.842 -1.924 15.453
177 HB1 ALA 29 HB1 ALA 29 41.247 -3.874 13.979
178 HB2 ALA 29 HB2 ALA 29 40.139 -4.257 15.298
179 HB3 ALA 29 HB3 ALA 29 41.820 -4.788 15.374
180 H LEU 30 HN LEU 30 43.242 -1.997 17.491
181 HA LEU 30 HA LEU 30 41.723 -3.170 19.743
182 HB2 LEU 30 HB2 LEU 30 44.665 -2.480 19.708
183 HB3 LEU 30 HB1 LEU 30 43.799 -3.471 20.884
184 HG LEU 30 HG LEU 30 44.217 -4.142 17.956
185 HD11 LEU 30 HD11 LEU 30 45.386 -5.238 20.528
186 HD12 LEU 30 HD12 LEU 30 46.257 -4.482 19.193
187 HD13 LEU 30 HD13 LEU 30 45.511 -6.065 18.975
188 HD21 LEU 30 HD21 LEU 30 42.171 -5.147 18.452
189 HD22 LEU 30 HD22 LEU 30 42.572 -5.355 20.157
190 HD23 LEU 30 HD23 LEU 30 43.297 -6.412 18.946
191 H ILE 31 HN ILE 31 43.232 -0.289 18.477
192 HA ILE 31 HA ILE 31 43.120 1.206 20.912
193 HB ILE 31 HB ILE 31 44.001 1.629 18.175
194 HG12 ILE 31 HG12 ILE 31 45.357 1.564 20.307
195 HG13 ILE 31 HG11 ILE 31 45.685 2.942 19.260
196 HG21 ILE 31 HG21 ILE 31 42.567 3.932 19.546
197 HG22 ILE 31 HG22 ILE 31 42.189 3.231 17.970
198 HG23 ILE 31 HG23 ILE 31 43.693 4.114 18.203
199 HD11 ILE 31 HD11 ILE 31 45.081 3.091 21.956
200 HD12 ILE 31 HD12 ILE 31 43.534 3.464 21.196
201 HD13 ILE 31 HD13 ILE 31 44.961 4.425 20.810
202 HA PRO 32 HA PRO 32 39.113 2.980 18.690
203 HB2 PRO 32 HB2 PRO 32 38.086 0.419 17.593
204 HB3 PRO 32 HB1 PRO 32 38.075 2.041 16.875
205 HG2 PRO 32 HG2 PRO 32 39.717 0.128 16.003
206 HG3 PRO 32 HG1 PRO 32 40.198 1.833 16.040
207 HD2 PRO 32 HD2 PRO 32 40.988 -0.389 17.884
208 HD3 PRO 32 HD1 PRO 32 41.943 0.995 17.311
209 H ALA 33 HN ALA 33 39.529 -0.162 20.166
210 HA ALA 33 HA ALA 33 36.928 -0.226 21.414
211 HB1 ALA 33 HB1 ALA 33 39.282 -1.841 22.345
212 HB2 ALA 33 HB2 ALA 33 38.500 -2.217 20.809
213 HB3 ALA 33 HB3 ALA 33 37.575 -2.282 22.310
214 H ILE 34 HN ILE 34 40.198 0.724 22.331
215 HA ILE 34 HA ILE 34 39.426 1.246 25.084
216 HB ILE 34 HB ILE 34 41.998 1.808 23.592
217 HG12 ILE 34 HG12 ILE 34 41.683 -0.243 25.749
218 HG13 ILE 34 HG11 ILE 34 41.062 -0.627 24.143
219 HG21 ILE 34 HG21 ILE 34 42.223 3.245 25.372
220 HG22 ILE 34 HG22 ILE 34 42.690 1.755 26.192
221 HG23 ILE 34 HG23 ILE 34 41.048 2.375 26.357
222 HD11 ILE 34 HD11 ILE 34 43.878 0.356 24.678
223 HD12 ILE 34 HD12 ILE 34 43.235 -0.224 23.142
224 HD13 ILE 34 HD13 ILE 34 43.445 -1.343 24.489
225 H TYR 35 HN TYR 35 38.667 2.765 22.362
226 HA TYR 35 HA TYR 35 39.326 5.493 23.164
227 HB2 TYR 35 HB2 TYR 35 39.154 4.419 20.724
228 HB3 TYR 35 HB1 TYR 35 37.475 4.928 20.901
229 HD1 TYR 35 HD1 TYR 35 36.987 7.347 21.529
230 HD2 TYR 35 HD2 TYR 35 40.871 5.997 20.287
231 HE1 TYR 35 HE1 TYR 35 37.643 9.688 21.038
232 HE2 TYR 35 HE2 TYR 35 41.528 8.338 19.797
233 HH TYR 35 HH TYR 35 40.912 10.576 20.367
234 H MET 36 HN MET 36 36.613 3.284 23.139
235 HA MET 36 HA MET 36 34.733 5.379 23.918
236 HB2 MET 36 HB2 MET 36 34.476 2.448 23.278
237 HB3 MET 36 HB1 MET 36 33.155 3.341 24.034
238 HG2 MET 36 HG2 MET 36 32.835 4.709 22.177
239 HG3 MET 36 HG1 MET 36 34.487 4.483 21.600
240 HE1 MET 36 HE1 MET 36 34.940 3.171 19.562
241 HE2 MET 36 HE2 MET 36 33.583 4.255 19.266
242 HE3 MET 36 HE3 MET 36 33.548 2.615 18.623
243 H LEU 37 HN LEU 37 36.482 2.670 25.310
244 HA LEU 37 HA LEU 37 35.119 2.390 27.732
245 HB2 LEU 37 HB2 LEU 37 37.777 1.703 26.683
246 HB3 LEU 37 HB1 LEU 37 37.745 1.951 28.426
247 HG LEU 37 HG LEU 37 37.275 -0.420 27.722
248 HD11 LEU 37 HD11 LEU 37 35.878 1.212 29.605
249 HD12 LEU 37 HD12 LEU 37 36.191 -0.520 29.688
250 HD13 LEU 37 HD13 LEU 37 34.722 0.074 28.915
251 HD21 LEU 37 HD21 LEU 37 35.726 0.741 25.783
252 HD22 LEU 37 HD22 LEU 37 34.505 0.259 26.960
253 HD23 LEU 37 HD23 LEU 37 35.596 -0.947 26.279
254 H VAL 38 HN VAL 38 36.592 5.122 26.556
255 HA VAL 38 HA VAL 38 37.163 6.172 29.263
256 HB VAL 38 HB VAL 38 38.142 7.184 26.583
257 HG11 VAL 38 HG11 VAL 38 38.063 9.030 28.075
258 HG12 VAL 38 HG12 VAL 38 39.725 8.450 28.177
259 HG13 VAL 38 HG13 VAL 38 38.570 8.045 29.447
260 HG21 VAL 38 HG21 VAL 38 39.037 5.029 28.258
261 HG22 VAL 38 HG22 VAL 38 40.234 6.324 28.318
262 HG23 VAL 38 HG23 VAL 38 39.763 5.630 26.767
263 H PHE 39 HN PHE 39 35.038 6.326 26.614
264 HA PHE 39 HA PHE 39 34.192 9.067 27.057
265 HB2 PHE 39 HB2 PHE 39 33.432 6.861 25.191
266 HB3 PHE 39 HB1 PHE 39 32.277 8.163 25.470
267 HD1 PHE 39 HD1 PHE 39 36.015 7.981 25.148
268 HD2 PHE 39 HD2 PHE 39 32.358 9.780 23.789
269 HE1 PHE 39 HE1 PHE 39 37.304 9.447 23.620
270 HE2 PHE 39 HE2 PHE 39 33.647 11.245 22.260
271 HZ PHE 39 HZ PHE 39 36.120 11.080 22.176
272 H LEU 40 HN LEU 40 32.210 6.116 26.934
273 HA LEU 40 HA LEU 40 30.064 6.975 28.391
274 HB2 LEU 40 HB2 LEU 40 29.841 4.538 29.134
275 HB3 LEU 40 HB1 LEU 40 29.919 4.831 27.397
276 HG LEU 40 HG LEU 40 32.572 4.519 28.582
277 HD11 LEU 40 HD11 LEU 40 32.289 2.022 28.881
278 HD12 LEU 40 HD12 LEU 40 30.545 2.283 28.839
279 HD13 LEU 40 HD13 LEU 40 31.512 3.002 30.125
280 HD21 LEU 40 HD21 LEU 40 31.069 3.000 26.425
281 HD22 LEU 40 HD22 LEU 40 32.812 2.966 26.691
282 HD23 LEU 40 HD23 LEU 40 32.030 4.455 26.157
283 H LEU 41 HN LEU 41 33.176 5.875 29.627
284 HA LEU 41 HA LEU 41 32.665 5.478 32.293
285 HB2 LEU 41 HB2 LEU 41 34.981 6.372 30.717
286 HB3 LEU 41 HB1 LEU 41 35.017 6.877 32.406
287 HG LEU 41 HG LEU 41 34.639 4.549 33.121
288 HD11 LEU 41 HD11 LEU 41 33.464 3.381 31.533
289 HD12 LEU 41 HD12 LEU 41 35.087 2.901 31.035
290 HD13 LEU 41 HD13 LEU 41 34.255 4.206 30.189
291 HD21 LEU 41 HD21 LEU 41 36.915 4.767 33.115
292 HD22 LEU 41 HD22 LEU 41 36.955 5.380 31.464
293 HD23 LEU 41 HD23 LEU 41 36.815 3.647 31.757
294 H GLY 42 HN GLY 42 32.728 8.508 30.536
295 HA2 GLY 42 HA2 GLY 42 31.233 9.877 32.523
296 HA3 GLY 42 HA1 GLY 42 32.929 10.341 32.625
297 H THR 43 HN THR 43 30.370 9.904 30.174
298 HA THR 43 HA THR 43 31.270 12.421 28.909
299 HB THR 43 HB THR 43 31.984 10.440 27.577
300 HG1 THR 43 HG1 THR 43 30.176 11.283 25.842
301 HG21 THR 43 HG21 THR 43 29.168 9.898 26.799
302 HG22 THR 43 HG22 THR 43 29.678 9.289 28.374
303 HG23 THR 43 HG23 THR 43 30.537 8.792 26.916
304 H THR 44 HN THR 44 28.641 10.177 29.588
305 HA THR 44 HA THR 44 26.679 12.195 28.715
306 HB THR 44 HB THR 44 25.153 10.077 29.353
307 HG1 THR 44 HG1 THR 44 27.562 8.935 28.413
308 HG21 THR 44 HG21 THR 44 26.748 10.539 26.823
309 HG22 THR 44 HG22 THR 44 25.120 11.114 27.181
310 HG23 THR 44 HG23 THR 44 25.413 9.392 26.935
311 H GLY 45 HN GLY 45 26.138 9.725 31.150
312 HA2 GLY 45 HA2 GLY 45 26.344 11.508 33.397
313 HA3 GLY 45 HA1 GLY 45 24.675 11.216 32.916
314 H ASN 46 HN ASN 46 27.450 9.012 32.851
315 HA ASN 46 HA ASN 46 26.282 6.689 33.587
316 HB2 ASN 46 HB2 ASN 46 28.924 7.709 33.572
317 HB3 ASN 46 HB1 ASN 46 28.697 6.884 35.114
318 HD21 ASN 46 HD21 ASN 46 27.333 6.156 31.855
319 HD22 ASN 46 HD22 ASN 46 27.938 4.570 31.800
320 H GLY 47 HN GLY 47 27.771 8.865 36.004
321 HA2 GLY 47 HA2 GLY 47 26.192 7.573 38.107
322 HA3 GLY 47 HA1 GLY 47 27.537 8.684 38.349
323 H LEU 48 HN LEU 48 26.313 10.491 36.245
324 HA LEU 48 HA LEU 48 24.927 12.217 38.010
325 HB2 LEU 48 HB2 LEU 48 26.199 12.882 35.914
326 HB3 LEU 48 HB1 LEU 48 24.820 12.294 34.993
327 HG LEU 48 HG LEU 48 23.343 13.845 36.299
328 HD11 LEU 48 HD11 LEU 48 25.965 14.443 37.593
329 HD12 LEU 48 HD12 LEU 48 24.340 14.471 38.274
330 HD13 LEU 48 HD13 LEU 48 24.901 15.811 37.276
331 HD21 LEU 48 HD21 LEU 48 24.272 14.432 34.062
332 HD22 LEU 48 HD22 LEU 48 25.646 15.196 34.861
333 HD23 LEU 48 HD23 LEU 48 24.024 15.851 35.079
334 H VAL 49 HN VAL 49 23.721 10.463 35.140
335 HA VAL 49 HA VAL 49 21.032 10.988 35.368
336 HB VAL 49 HB VAL 49 22.285 8.344 34.585
337 HG11 VAL 49 HG11 VAL 49 19.540 9.546 34.268
338 HG12 VAL 49 HG12 VAL 49 19.981 7.926 34.809
339 HG13 VAL 49 HG13 VAL 49 20.141 8.362 33.108
340 HG21 VAL 49 HG21 VAL 49 23.076 9.450 32.788
341 HG22 VAL 49 HG22 VAL 49 22.395 10.958 33.398
342 HG23 VAL 49 HG23 VAL 49 21.426 9.908 32.365
343 H LEU 50 HN LEU 50 23.007 9.137 37.482
344 HA LEU 50 HA LEU 50 20.748 7.747 38.705
345 HB2 LEU 50 HB2 LEU 50 23.731 7.646 39.002
346 HB3 LEU 50 HB1 LEU 50 22.704 7.015 40.292
347 HG LEU 50 HG LEU 50 21.560 5.551 38.676
348 HD11 LEU 50 HD11 LEU 50 21.600 6.546 36.590
349 HD12 LEU 50 HD12 LEU 50 22.933 5.408 36.399
350 HD13 LEU 50 HD13 LEU 50 23.265 7.099 36.769
351 HD21 LEU 50 HD21 LEU 50 24.302 5.377 39.494
352 HD22 LEU 50 HD22 LEU 50 24.156 4.671 37.885
353 HD23 LEU 50 HD23 LEU 50 23.163 4.061 39.208
354 H TRP 51 HN TRP 51 23.045 10.335 39.419
355 HA TRP 51 HA TRP 51 22.372 10.740 42.119
356 HB2 TRP 51 HB2 TRP 51 24.033 12.222 41.897
357 HB3 TRP 51 HB1 TRP 51 23.981 12.030 40.145
358 HD1 TRP 51 HD1 TRP 51 22.102 13.592 38.848
359 HE1 TRP 51 HE1 TRP 51 21.365 16.005 39.378
360 HE3 TRP 51 HE3 TRP 51 23.703 13.958 43.682
361 HZ2 TRP 51 HZ2 TRP 51 21.446 17.847 41.564
362 HZ3 TRP 51 HZ3 TRP 51 23.361 16.052 44.964
363 HH2 TRP 51 HH2 TRP 51 22.236 17.995 43.912
364 H THR 52 HN THR 52 20.841 11.790 39.142
365 HA THR 52 HA THR 52 19.035 13.615 40.483
366 HB THR 52 HB THR 52 19.904 13.750 38.040
367 HG1 THR 52 HG1 THR 52 18.019 14.823 37.497
368 HG21 THR 52 HG21 THR 52 19.061 11.332 37.649
369 HG22 THR 52 HG22 THR 52 18.748 12.527 36.392
370 HG23 THR 52 HG23 THR 52 17.463 12.067 37.508
371 H VAL 53 HN VAL 53 19.012 10.296 39.349
372 HA VAL 53 HA VAL 53 16.271 9.772 39.354
373 HB VAL 53 HB VAL 53 18.682 8.062 39.918
374 HG11 VAL 53 HG11 VAL 53 17.126 6.900 41.220
375 HG12 VAL 53 HG12 VAL 53 16.883 6.168 39.634
376 HG13 VAL 53 HG13 VAL 53 15.765 7.401 40.216
377 HG21 VAL 53 HG21 VAL 53 16.726 7.497 37.759
378 HG22 VAL 53 HG22 VAL 53 18.489 7.465 37.716
379 HG23 VAL 53 HG23 VAL 53 17.631 9.002 37.594
380 H PHE 54 HN PHE 54 18.594 9.220 42.013
381 HA PHE 54 HA PHE 54 16.618 8.562 43.935
382 HB2 PHE 54 HB2 PHE 54 18.395 8.153 45.256
383 HB3 PHE 54 HB1 PHE 54 19.381 8.522 43.842
384 HD1 PHE 54 HD1 PHE 54 17.884 9.947 46.926
385 HD2 PHE 54 HD2 PHE 54 20.636 10.556 43.685
386 HE1 PHE 54 HE1 PHE 54 18.804 11.938 48.082
387 HE2 PHE 54 HE2 PHE 54 21.556 12.549 44.840
388 HZ PHE 54 HZ PHE 54 20.640 13.240 47.039
389 H ARG 55 HN ARG 55 17.660 11.554 42.616
390 HA ARG 55 HA ARG 55 16.903 13.205 44.851
391 HB2 ARG 55 HB2 ARG 55 18.517 13.652 42.769
392 HB3 ARG 55 HB1 ARG 55 17.029 14.310 42.090
393 HG2 ARG 55 HG2 ARG 55 17.914 16.172 43.180
394 HG3 ARG 55 HG1 ARG 55 16.824 15.519 44.403
395 HD2 ARG 55 HD2 ARG 55 19.066 14.111 44.979
396 HD3 ARG 55 HD1 ARG 55 19.790 15.591 44.357
397 HE ARG 55 HE ARG 55 18.230 15.305 46.797
398 HH11 ARG 55 HH21 ARG 55 19.581 17.387 44.388
399 HH12 ARG 55 HH22 ARG 55 19.572 18.792 45.400
400 HH21 ARG 55 HH11 ARG 55 18.216 17.144 48.132
401 HH22 ARG 55 HH12 ARG 55 18.799 18.655 47.519
402 H LYS 56 HN LYS 56 15.560 12.843 41.559
403 HA LYS 56 HA LYS 56 13.263 14.275 41.745
404 HB2 LYS 56 HB2 LYS 56 13.538 11.524 40.509
405 HB3 LYS 56 HB1 LYS 56 12.242 12.669 40.163
406 HG2 LYS 56 HG2 LYS 56 15.086 13.581 39.880
407 HG3 LYS 56 HG1 LYS 56 14.394 12.563 38.616
408 HD2 LYS 56 HD2 LYS 56 12.724 14.851 39.538
409 HD3 LYS 56 HD1 LYS 56 14.164 15.250 38.604
410 HE2 LYS 56 HE2 LYS 56 12.198 14.928 37.136
411 HE3 LYS 56 HE1 LYS 56 13.450 13.729 36.812
412 HZ1 LYS 56 HZ1 LYS 56 12.269 12.138 38.148
413 HZ2 LYS 56 HZ2 LYS 56 11.221 12.754 36.961
414 HZ3 LYS 56 HZ3 LYS 56 11.097 13.290 38.569
415 H LYS 57 HN LYS 57 13.791 11.019 43.041
416 HA LYS 57 HA LYS 57 11.092 10.832 44.074
417 HB2 LYS 57 HB2 LYS 57 13.539 9.087 44.419
418 HB3 LYS 57 HB1 LYS 57 11.962 8.720 45.118
419 HG2 LYS 57 HG2 LYS 57 11.041 8.169 43.097
420 HG3 LYS 57 HG1 LYS 57 11.983 9.376 42.222
421 HD2 LYS 57 HD2 LYS 57 13.908 7.989 42.159
422 HD3 LYS 57 HD1 LYS 57 13.271 6.911 43.401
423 HE2 LYS 57 HE2 LYS 57 13.134 6.005 41.037
424 HE3 LYS 57 HE1 LYS 57 11.600 6.042 41.907
425 HZ1 LYS 57 HZ1 LYS 57 12.564 7.910 39.823
426 HZ2 LYS 57 HZ2 LYS 57 11.258 8.287 40.844
427 HZ3 LYS 57 HZ3 LYS 57 11.167 6.948 39.803
428 H GLY 58 HN GLY 58 12.376 13.138 45.007
429 HA2 GLY 58 HA2 GLY 58 13.175 12.543 47.771
430 HA3 GLY 58 HA1 GLY 58 13.346 14.094 46.954
431 H HIS 59 HN HIS 59 10.427 12.119 46.982
432 HA HIS 59 HA HIS 59 8.997 14.350 48.256
433 HB2 HIS 59 HB2 HIS 59 8.115 11.998 46.590
434 HB3 HIS 59 HB1 HIS 59 6.965 12.969 47.509
435 HD2 HIS 59 HD2 HIS 59 9.856 13.892 44.901
436 HE1 HIS 59 HE1 HIS 59 6.534 16.423 44.282
437 HE2 HIS 59 HE2 HIS 59 8.870 15.843 43.473
438 H HIS 60 HN HIS 60 8.453 10.833 48.308
439 HA HIS 60 HA HIS 60 7.677 9.504 50.039
440 HB2 HIS 60 HB2 HIS 60 9.945 9.159 50.489
441 HB3 HIS 60 HB1 HIS 60 10.190 10.821 51.028
442 HD2 HIS 60 HD2 HIS 60 10.951 10.153 53.668
443 HE1 HIS 60 HE1 HIS 60 7.365 8.186 54.713
444 HE2 HIS 60 HE2 HIS 60 9.567 9.082 55.606
445 H HIS 61 HN HIS 61 5.664 10.383 50.535
446 HA HIS 61 HA HIS 61 5.295 12.680 52.172
447 HB2 HIS 61 HB2 HIS 61 3.503 10.411 51.324
448 HB3 HIS 61 HB1 HIS 61 2.946 11.655 52.444
449 HD2 HIS 61 HD2 HIS 61 5.302 13.182 49.846
450 HE1 HIS 61 HE1 HIS 61 1.393 13.820 48.387
451 HE2 HIS 61 HE2 HIS 61 3.838 14.435 48.085
452 H HIS 62 HN HIS 62 4.457 12.746 54.338
453 HA HIS 62 HA HIS 62 5.910 11.235 56.193
454 HB2 HIS 62 HB2 HIS 62 4.182 12.113 57.847
455 HB3 HIS 62 HB1 HIS 62 5.039 13.331 56.902
456 HD2 HIS 62 HD2 HIS 62 3.451 14.549 54.819
457 HE1 HIS 62 HE1 HIS 62 -0.220 13.001 56.218
458 HE2 HIS 62 HE2 HIS 62 0.850 14.660 54.619
459 H HIS 63 HN HIS 63 4.272 10.294 58.130
460 HA HIS 63 HA HIS 63 3.662 7.693 57.301
461 HB2 HIS 63 HB2 HIS 63 3.329 7.353 59.499
462 HB3 HIS 63 HB1 HIS 63 3.747 9.052 59.720
463 HD2 HIS 63 HD2 HIS 63 1.612 10.684 60.497
464 HE1 HIS 63 HE1 HIS 63 -1.432 7.780 60.137
465 HE2 HIS 63 HE2 HIS 63 -0.907 10.139 60.917
466 H HIS 64 HN HIS 64 1.451 6.670 57.518
467 HA HIS 64 HA HIS 64 -0.937 8.097 57.181
468 HB2 HIS 64 HB2 HIS 64 0.701 8.015 54.815
469 HB3 HIS 64 HB1 HIS 64 -0.783 7.100 54.545
470 HD2 HIS 64 HD2 HIS 64 0.063 10.491 53.730
471 HE1 HIS 64 HE1 HIS 64 -3.653 11.022 55.661
472 HE2 HIS 64 HE2 HIS 64 -1.932 12.122 54.152
Start of MODEL 4
1 H1 MET 1 HT1 MET 1 2.885 -3.882 -34.766
2 H2 MET 1 HT2 MET 1 2.284 -2.627 -35.741
3 H3 MET 1 HT3 MET 1 1.245 -3.459 -34.685
4 HA MET 1 HA MET 1 2.012 -1.178 -33.950
5 HB2 MET 1 HB2 MET 1 2.170 -3.728 -32.371
6 HB3 MET 1 HB1 MET 1 2.593 -2.202 -31.594
7 HG2 MET 1 HG2 MET 1 0.436 -1.300 -31.916
8 HG3 MET 1 HG1 MET 1 0.029 -2.490 -33.154
9 HE1 MET 1 HE1 MET 1 1.202 -2.083 -29.491
10 HE2 MET 1 HE2 MET 1 -0.137 -2.830 -28.623
11 HE3 MET 1 HE3 MET 1 -0.431 -1.421 -29.638
12 H GLU 2 HN GLU 2 3.739 -0.055 -32.888
13 HA GLU 2 HA GLU 2 6.346 -1.154 -32.585
14 HB2 GLU 2 HB2 GLU 2 7.367 0.329 -34.423
15 HB3 GLU 2 HB1 GLU 2 6.580 -1.164 -34.935
16 HG2 GLU 2 HG2 GLU 2 4.759 1.141 -34.736
17 HG3 GLU 2 HG1 GLU 2 6.019 1.325 -35.956
18 H GLU 3 HN GLU 3 6.385 -0.099 -30.632
19 HA GLU 3 HA GLU 3 6.728 2.819 -30.779
20 HB2 GLU 3 HB2 GLU 3 5.133 1.537 -28.562
21 HB3 GLU 3 HB1 GLU 3 5.275 3.251 -28.957
22 HG2 GLU 3 HG2 GLU 3 4.251 2.583 -31.249
23 HG3 GLU 3 HG1 GLU 3 3.759 1.102 -30.429
24 H GLY 4 HN GLY 4 8.986 2.007 -30.670
25 HA2 GLY 4 HA2 GLY 4 10.793 2.371 -29.120
26 HA3 GLY 4 HA1 GLY 4 9.794 1.666 -27.852
27 H GLY 5 HN GLY 5 10.305 0.410 -31.120
28 HA2 GLY 5 HA2 GLY 5 11.042 -2.180 -30.031
29 HA3 GLY 5 HA1 GLY 5 10.797 -1.788 -31.730
30 H ASP 6 HN ASP 6 12.887 -3.333 -31.305
31 HA ASP 6 HA ASP 6 15.194 -3.536 -31.330
32 HB2 ASP 6 HB2 ASP 6 14.630 -2.683 -33.594
33 HB3 ASP 6 HB1 ASP 6 14.881 -1.038 -33.010
34 H PHE 7 HN PHE 7 15.783 -3.147 -29.193
35 HA PHE 7 HA PHE 7 16.135 -0.469 -28.185
36 HB2 PHE 7 HB2 PHE 7 17.411 -2.845 -26.894
37 HB3 PHE 7 HB1 PHE 7 16.606 -1.462 -26.152
38 HD1 PHE 7 HD2 PHE 7 16.114 -4.711 -27.825
39 HD2 PHE 7 HD1 PHE 7 14.183 -1.372 -25.935
40 HE1 PHE 7 HE2 PHE 7 14.002 -6.004 -27.698
41 HE2 PHE 7 HE1 PHE 7 12.071 -2.666 -25.806
42 HZ PHE 7 HZ PHE 7 11.980 -4.982 -26.689
43 H ASP 8 HN ASP 8 18.188 0.393 -27.452
44 HA ASP 8 HA ASP 8 20.595 -0.725 -28.686
45 HB2 ASP 8 HB2 ASP 8 19.565 0.835 -30.357
46 HB3 ASP 8 HB1 ASP 8 19.753 2.137 -29.183
47 H ASN 9 HN ASN 9 20.247 -0.867 -26.075
48 HA ASN 9 HA ASN 9 22.056 1.203 -25.026
49 HB2 ASN 9 HB2 ASN 9 19.592 1.640 -24.439
50 HB3 ASN 9 HB1 ASN 9 19.713 0.215 -23.410
51 HD21 ASN 9 HD21 ASN 9 19.449 3.177 -22.689
52 HD22 ASN 9 HD22 ASN 9 20.746 3.466 -21.633
53 H TYR 10 HN TYR 10 22.780 -1.357 -25.859
54 HA TYR 10 HA TYR 10 22.739 -3.398 -23.979
55 HB2 TYR 10 HB2 TYR 10 25.159 -2.731 -25.654
56 HB3 TYR 10 HB1 TYR 10 24.618 -4.318 -25.110
57 HD1 TYR 10 HD2 TYR 10 22.296 -5.125 -25.922
58 HD2 TYR 10 HD1 TYR 10 24.457 -1.887 -27.736
59 HE1 TYR 10 HE2 TYR 10 20.932 -5.369 -27.978
60 HE2 TYR 10 HE1 TYR 10 23.094 -2.130 -29.793
61 HH TYR 10 HH TYR 10 20.639 -4.697 -30.076
62 H TYR 11 HN TYR 11 22.953 -2.727 -21.863
63 HA TYR 11 HA TYR 11 24.839 -0.932 -20.846
64 HB2 TYR 11 HB2 TYR 11 23.082 -3.032 -19.744
65 HB3 TYR 11 HB1 TYR 11 24.497 -2.648 -18.763
66 HD1 TYR 11 HD1 TYR 11 21.371 -1.343 -20.210
67 HD2 TYR 11 HD2 TYR 11 24.807 -0.425 -17.801
68 HE1 TYR 11 HE1 TYR 11 20.269 0.736 -19.430
69 HE2 TYR 11 HE2 TYR 11 23.704 1.654 -17.019
70 HH TYR 11 HH TYR 11 21.987 3.104 -17.476
71 H GLY 12 HN GLY 12 26.492 -1.792 -19.088
72 HA2 GLY 12 HA2 GLY 12 27.915 -4.070 -19.096
73 HA3 GLY 12 HA1 GLY 12 28.474 -3.307 -20.583
74 H ALA 13 HN ALA 13 29.290 -3.739 -17.473
75 HA ALA 13 HA ALA 13 31.250 -1.663 -17.485
76 HB1 ALA 13 HB1 ALA 13 29.134 -0.426 -16.819
77 HB2 ALA 13 HB2 ALA 13 30.477 -0.304 -15.683
78 HB3 ALA 13 HB3 ALA 13 29.135 -1.395 -15.346
79 H ASP 14 HN ASP 14 31.578 -4.340 -17.306
80 HA ASP 14 HA ASP 14 31.849 -5.072 -14.488
81 HB2 ASP 14 HB2 ASP 14 32.719 -6.718 -16.860
82 HB3 ASP 14 HB1 ASP 14 32.280 -7.272 -15.245
83 H ASN 15 HN ASN 15 33.437 -3.227 -14.269
84 HA ASN 15 HA ASN 15 36.136 -4.311 -14.541
85 HB2 ASN 15 HB2 ASN 15 35.210 -1.743 -15.819
86 HB3 ASN 15 HB1 ASN 15 36.899 -2.013 -15.393
87 HD21 ASN 15 HD21 ASN 15 38.089 -3.653 -16.594
88 HD22 ASN 15 HD22 ASN 15 37.472 -4.322 -18.027
89 H GLN 16 HN GLN 16 34.229 -3.723 -12.361
90 HA GLN 16 HA GLN 16 35.522 -1.487 -10.967
91 HB2 GLN 16 HB2 GLN 16 33.733 -1.783 -9.301
92 HB3 GLN 16 HB1 GLN 16 33.069 -1.586 -10.923
93 HG2 GLN 16 HG2 GLN 16 33.499 -4.339 -10.674
94 HG3 GLN 16 HG1 GLN 16 32.851 -3.851 -9.110
95 HE21 GLN 16 HE21 GLN 16 32.186 -2.955 -12.554
96 HE22 GLN 16 HE22 GLN 16 30.501 -3.093 -12.406
97 H SER 17 HN SER 17 37.482 -3.077 -11.088
98 HA SER 17 HA SER 17 37.434 -5.101 -8.981
99 HB2 SER 17 HB2 SER 17 39.005 -4.605 -11.355
100 HB3 SER 17 HB1 SER 17 40.053 -4.816 -9.955
101 HG SER 17 HG SER 17 39.101 -6.782 -9.562
102 H GLU 18 HN GLU 18 37.853 -4.557 -6.947
103 HA GLU 18 HA GLU 18 39.422 -2.124 -6.407
104 HB2 GLU 18 HB2 GLU 18 37.308 -3.630 -4.942
105 HB3 GLU 18 HB1 GLU 18 38.524 -2.784 -3.983
106 HG2 GLU 18 HG2 GLU 18 36.447 -1.429 -4.572
107 HG3 GLU 18 HG1 GLU 18 37.989 -0.682 -4.984
108 H CYS 19 HN CYS 19 40.680 -2.341 -4.225
109 HA CYS 19 HA CYS 19 41.754 -4.768 -3.361
110 HB2 CYS 19 HB2 CYS 19 44.092 -4.336 -4.513
111 HB3 CYS 19 HB1 CYS 19 42.845 -5.275 -5.334
112 HG CYS 19 HG CYS 19 43.700 -2.391 -6.078
113 H GLU 20 HN GLU 20 43.798 -4.458 -2.096
114 HA GLU 20 HA GLU 20 44.894 -3.349 -0.408
115 HB2 GLU 20 HB2 GLU 20 45.709 -2.188 -2.602
116 HB3 GLU 20 HB1 GLU 20 44.729 -0.834 -2.038
117 HG2 GLU 20 HG2 GLU 20 46.019 -1.392 0.252
118 HG3 GLU 20 HG1 GLU 20 47.230 -1.973 -0.890
119 H TYR 21 HN TYR 21 41.804 -2.988 -0.930
120 HA TYR 21 HA TYR 21 41.370 -0.632 0.773
121 HB2 TYR 21 HB2 TYR 21 39.376 -0.399 -0.263
122 HB3 TYR 21 HB1 TYR 21 40.028 -1.524 -1.454
123 HD1 TYR 21 HD2 TYR 21 39.554 -3.977 -1.245
124 HD2 TYR 21 HD1 TYR 21 37.646 -1.055 1.257
125 HE1 TYR 21 HE2 TYR 21 37.826 -5.642 -0.621
126 HE2 TYR 21 HE1 TYR 21 35.917 -2.720 1.882
127 HH TYR 21 HH TYR 21 35.898 -5.411 1.953
128 H THR 22 HN THR 22 41.918 -3.859 1.153
129 HA THR 22 HA THR 22 40.031 -4.195 3.382
130 HB THR 22 HB THR 22 41.918 -6.178 2.088
131 HG1 THR 22 HG1 THR 22 39.098 -5.918 1.956
132 HG21 THR 22 HG21 THR 22 39.977 -6.323 4.374
133 HG22 THR 22 HG22 THR 22 41.594 -7.015 4.241
134 HG23 THR 22 HG23 THR 22 40.247 -7.745 3.367
135 H ASP 23 HN ASP 23 43.393 -3.682 2.670
136 HA ASP 23 HA ASP 23 44.228 -4.323 5.395
137 HB2 ASP 23 HB2 ASP 23 46.425 -4.186 4.624
138 HB3 ASP 23 HB1 ASP 23 45.564 -4.783 3.206
139 H TRP 24 HN TRP 24 42.416 -2.006 4.596
140 HA TRP 24 HA TRP 24 43.652 0.458 4.799
141 HB2 TRP 24 HB2 TRP 24 41.432 1.039 6.123
142 HB3 TRP 24 HB1 TRP 24 41.390 0.653 4.406
143 HD1 TRP 24 HD1 TRP 24 41.949 -2.105 6.973
144 HE1 TRP 24 HE1 TRP 24 39.906 -3.674 6.968
145 HE3 TRP 24 HE3 TRP 24 38.815 0.538 3.928
146 HZ2 TRP 24 HZ2 TRP 24 37.287 -3.795 5.822
147 HZ3 TRP 24 HZ3 TRP 24 36.555 -0.327 3.395
148 HH2 TRP 24 HH2 TRP 24 35.787 -2.488 4.339
149 H LYS 25 HN LYS 25 41.750 -0.068 7.622
150 HA LYS 25 HA LYS 25 43.613 1.064 9.376
151 HB2 LYS 25 HB2 LYS 25 41.346 -0.836 10.025
152 HB3 LYS 25 HB1 LYS 25 42.166 0.219 11.174
153 HG2 LYS 25 HG2 LYS 25 41.427 2.197 9.945
154 HG3 LYS 25 HG1 LYS 25 40.684 1.180 8.710
155 HD2 LYS 25 HD2 LYS 25 39.834 0.586 11.477
156 HD3 LYS 25 HD1 LYS 25 39.346 2.172 10.876
157 HE2 LYS 25 HE2 LYS 25 38.941 -0.333 9.240
158 HE3 LYS 25 HE1 LYS 25 37.743 0.208 10.415
159 HZ1 LYS 25 HZ1 LYS 25 37.346 2.147 9.243
160 HZ2 LYS 25 HZ2 LYS 25 37.535 1.000 8.003
161 HZ3 LYS 25 HZ3 LYS 25 38.805 2.062 8.383
162 H SER 26 HN SER 26 42.526 -2.321 9.604
163 HA SER 26 HA SER 26 43.632 -4.228 10.253
164 HB2 SER 26 HB2 SER 26 44.925 -3.363 8.094
165 HB3 SER 26 HB1 SER 26 46.227 -3.144 9.260
166 HG SER 26 HG SER 26 45.469 -5.373 8.104
167 H SER 27 HN SER 27 43.889 -1.499 11.802
168 HA SER 27 HA SER 27 45.289 -2.617 14.039
169 HB2 SER 27 HB2 SER 27 46.579 -0.277 12.618
170 HB3 SER 27 HB1 SER 27 47.089 -0.955 14.162
171 HG SER 27 HG SER 27 47.001 -2.288 11.652
172 H GLY 28 HN GLY 28 43.989 0.264 12.457
173 HA2 GLY 28 HA2 GLY 28 43.519 1.707 14.891
174 HA3 GLY 28 HA1 GLY 28 42.874 2.105 13.301
175 H ALA 29 HN ALA 29 42.247 -1.105 14.046
176 HA ALA 29 HA ALA 29 39.463 -0.442 14.745
177 HB1 ALA 29 HB1 ALA 29 40.559 -3.087 13.774
178 HB2 ALA 29 HB2 ALA 29 39.939 -1.834 12.699
179 HB3 ALA 29 HB3 ALA 29 38.868 -2.600 13.872
180 H LEU 30 HN LEU 30 42.172 -1.042 16.360
181 HA LEU 30 HA LEU 30 40.887 -2.815 18.352
182 HB2 LEU 30 HB2 LEU 30 43.846 -2.281 18.049
183 HB3 LEU 30 HB1 LEU 30 43.072 -3.522 19.035
184 HG LEU 30 HG LEU 30 42.996 -3.355 16.007
185 HD11 LEU 30 HD11 LEU 30 44.157 -5.623 17.585
186 HD12 LEU 30 HD12 LEU 30 45.114 -4.157 17.380
187 HD13 LEU 30 HD13 LEU 30 44.571 -5.062 15.966
188 HD21 LEU 30 HD21 LEU 30 41.577 -5.046 18.038
189 HD22 LEU 30 HD22 LEU 30 42.046 -5.780 16.505
190 HD23 LEU 30 HD23 LEU 30 40.972 -4.382 16.520
191 H ILE 31 HN ILE 31 42.367 0.270 17.752
192 HA ILE 31 HA ILE 31 42.659 0.936 20.548
193 HB ILE 31 HB ILE 31 43.160 2.343 17.960
194 HG12 ILE 31 HG12 ILE 31 44.758 0.882 19.488
195 HG13 ILE 31 HG11 ILE 31 45.358 2.335 18.693
196 HG21 ILE 31 HG21 ILE 31 42.668 3.659 20.634
197 HG22 ILE 31 HG22 ILE 31 42.041 4.118 19.051
198 HG23 ILE 31 HG23 ILE 31 43.741 4.382 19.435
199 HD11 ILE 31 HD11 ILE 31 44.172 2.460 21.465
200 HD12 ILE 31 HD12 ILE 31 45.257 3.607 20.680
201 HD13 ILE 31 HD13 ILE 31 45.867 2.043 21.217
202 HA PRO 32 HA PRO 32 38.737 3.612 19.266
203 HB2 PRO 32 HB2 PRO 32 37.277 1.461 17.828
204 HB3 PRO 32 HB1 PRO 32 37.386 3.193 17.460
205 HG2 PRO 32 HG2 PRO 32 38.666 1.367 16.001
206 HG3 PRO 32 HG1 PRO 32 39.360 2.966 16.321
207 HD2 PRO 32 HD2 PRO 32 40.060 0.325 17.552
208 HD3 PRO 32 HD1 PRO 32 41.115 1.693 17.139
209 H ALA 33 HN ALA 33 38.917 0.200 20.003
210 HA ALA 33 HA ALA 33 36.481 0.056 21.508
211 HB1 ALA 33 HB1 ALA 33 37.526 -1.940 20.503
212 HB2 ALA 33 HB2 ALA 33 37.327 -2.124 22.246
213 HB3 ALA 33 HB3 ALA 33 38.913 -1.747 21.575
214 H ILE 34 HN ILE 34 39.857 0.729 22.250
215 HA ILE 34 HA ILE 34 39.365 0.775 25.117
216 HB ILE 34 HB ILE 34 41.783 1.269 23.389
217 HG12 ILE 34 HG12 ILE 34 42.646 -0.658 24.654
218 HG13 ILE 34 HG11 ILE 34 41.166 -0.702 25.614
219 HG21 ILE 34 HG21 ILE 34 41.336 1.888 26.306
220 HG22 ILE 34 HG22 ILE 34 42.116 2.883 25.075
221 HG23 ILE 34 HG23 ILE 34 42.939 1.458 25.709
222 HD11 ILE 34 HD11 ILE 34 39.863 -1.435 23.812
223 HD12 ILE 34 HD12 ILE 34 41.381 -2.291 23.545
224 HD13 ILE 34 HD13 ILE 34 41.012 -0.840 22.615
225 H TYR 35 HN TYR 35 39.270 2.951 22.463
226 HA TYR 35 HA TYR 35 39.804 5.368 23.901
227 HB2 TYR 35 HB2 TYR 35 39.488 4.672 21.230
228 HB3 TYR 35 HB1 TYR 35 38.079 5.675 21.576
229 HD1 TYR 35 HD2 TYR 35 41.793 5.553 21.731
230 HD2 TYR 35 HD1 TYR 35 38.285 8.023 21.957
231 HE1 TYR 35 HE2 TYR 35 43.216 7.582 21.660
232 HE2 TYR 35 HE1 TYR 35 39.709 10.052 21.886
233 HH TYR 35 HH TYR 35 42.178 10.529 20.899
234 H MET 36 HN MET 36 36.936 3.467 23.197
235 HA MET 36 HA MET 36 35.099 5.472 24.167
236 HB2 MET 36 HB2 MET 36 34.777 2.557 23.436
237 HB3 MET 36 HB1 MET 36 33.445 3.564 24.008
238 HG2 MET 36 HG2 MET 36 33.481 4.926 22.112
239 HG3 MET 36 HG1 MET 36 35.158 4.528 21.738
240 HE1 MET 36 HE1 MET 36 33.712 3.226 18.615
241 HE2 MET 36 HE2 MET 36 35.335 3.137 19.295
242 HE3 MET 36 HE3 MET 36 34.369 4.592 19.527
243 H LEU 37 HN LEU 37 36.680 2.592 25.445
244 HA LEU 37 HA LEU 37 35.209 2.227 27.786
245 HB2 LEU 37 HB2 LEU 37 37.878 1.491 26.806
246 HB3 LEU 37 HB1 LEU 37 37.794 1.653 28.559
247 HG LEU 37 HG LEU 37 37.259 -0.660 27.722
248 HD11 LEU 37 HD11 LEU 37 35.852 0.937 29.629
249 HD12 LEU 37 HD12 LEU 37 36.095 -0.809 29.639
250 HD13 LEU 37 HD13 LEU 37 34.683 -0.122 28.841
251 HD21 LEU 37 HD21 LEU 37 35.630 -1.045 26.184
252 HD22 LEU 37 HD22 LEU 37 35.826 0.662 25.790
253 HD23 LEU 37 HD23 LEU 37 34.548 0.153 26.894
254 H VAL 38 HN VAL 38 36.891 4.943 26.838
255 HA VAL 38 HA VAL 38 37.011 5.928 29.620
256 HB VAL 38 HB VAL 38 38.952 6.810 27.494
257 HG11 VAL 38 HG11 VAL 38 39.692 6.671 30.349
258 HG12 VAL 38 HG12 VAL 38 38.379 7.791 29.991
259 HG13 VAL 38 HG13 VAL 38 39.937 7.973 29.186
260 HG21 VAL 38 HG21 VAL 38 40.498 5.181 28.905
261 HG22 VAL 38 HG22 VAL 38 39.556 4.567 27.546
262 HG23 VAL 38 HG23 VAL 38 38.974 4.343 29.197
263 H PHE 39 HN PHE 39 35.082 6.123 27.266
264 HA PHE 39 HA PHE 39 34.913 9.077 27.223
265 HB2 PHE 39 HB2 PHE 39 35.572 7.839 25.015
266 HB3 PHE 39 HB1 PHE 39 33.862 7.407 24.964
267 HD1 PHE 39 HD1 PHE 39 36.143 10.345 25.382
268 HD2 PHE 39 HD2 PHE 39 32.280 8.936 24.142
269 HE1 PHE 39 HE1 PHE 39 35.594 12.607 24.523
270 HE2 PHE 39 HE2 PHE 39 31.731 11.196 23.282
271 HZ PHE 39 HZ PHE 39 33.388 13.032 23.472
272 H LEU 40 HN LEU 40 33.211 5.985 27.192
273 HA LEU 40 HA LEU 40 30.592 7.146 27.341
274 HB2 LEU 40 HB2 LEU 40 29.857 4.843 27.860
275 HB3 LEU 40 HB1 LEU 40 30.905 4.894 26.443
276 HG LEU 40 HG LEU 40 32.721 4.579 28.492
277 HD11 LEU 40 HD11 LEU 40 30.442 2.690 29.096
278 HD12 LEU 40 HD12 LEU 40 30.648 4.204 29.976
279 HD13 LEU 40 HD13 LEU 40 31.906 2.970 30.039
280 HD21 LEU 40 HD21 LEU 40 32.689 3.376 26.340
281 HD22 LEU 40 HD22 LEU 40 31.303 2.431 26.882
282 HD23 LEU 40 HD23 LEU 40 32.864 2.242 27.680
283 H LEU 41 HN LEU 41 33.075 6.354 29.627
284 HA LEU 41 HA LEU 41 31.264 6.448 31.907
285 HB2 LEU 41 HB2 LEU 41 33.034 5.661 33.180
286 HB3 LEU 41 HB1 LEU 41 33.450 5.015 31.599
287 HG LEU 41 HG LEU 41 34.746 7.275 31.285
288 HD11 LEU 41 HD11 LEU 41 34.970 8.629 33.073
289 HD12 LEU 41 HD12 LEU 41 35.528 7.285 34.065
290 HD13 LEU 41 HD13 LEU 41 33.808 7.634 33.945
291 HD21 LEU 41 HD21 LEU 41 35.726 5.100 33.157
292 HD22 LEU 41 HD22 LEU 41 36.751 6.223 32.262
293 HD23 LEU 41 HD23 LEU 41 35.775 5.038 31.395
294 H GLY 42 HN GLY 42 33.376 8.550 30.133
295 HA2 GLY 42 HA2 GLY 42 33.540 10.564 32.208
296 HA3 GLY 42 HA1 GLY 42 34.129 10.712 30.555
297 H THR 43 HN THR 43 31.432 9.782 29.564
298 HA THR 43 HA THR 43 29.473 11.678 30.375
299 HB THR 43 HB THR 43 30.991 13.267 29.281
300 HG1 THR 43 HG1 THR 43 29.339 14.209 28.388
301 HG21 THR 43 HG21 THR 43 30.565 12.226 26.573
302 HG22 THR 43 HG22 THR 43 31.548 11.164 27.581
303 HG23 THR 43 HG23 THR 43 32.039 12.839 27.324
304 H THR 44 HN THR 44 28.889 11.873 27.291
305 HA THR 44 HA THR 44 27.565 10.754 25.783
306 HB THR 44 HB THR 44 28.505 8.166 27.003
307 HG1 THR 44 HG1 THR 44 30.447 8.776 26.558
308 HG21 THR 44 HG21 THR 44 28.303 7.371 24.721
309 HG22 THR 44 HG22 THR 44 27.984 9.006 24.140
310 HG23 THR 44 HG23 THR 44 26.804 8.188 25.163
311 H GLY 45 HN GLY 45 27.492 8.487 28.532
312 HA2 GLY 45 HA2 GLY 45 24.551 8.712 28.540
313 HA3 GLY 45 HA1 GLY 45 25.474 7.353 29.176
314 H ASN 46 HN ASN 46 26.728 10.457 29.893
315 HA ASN 46 HA ASN 46 25.378 10.540 32.506
316 HB2 ASN 46 HB2 ASN 46 28.356 10.915 32.299
317 HB3 ASN 46 HB1 ASN 46 27.381 10.619 33.736
318 HD21 ASN 46 HD21 ASN 46 28.558 9.045 30.739
319 HD22 ASN 46 HD22 ASN 46 28.428 7.463 31.338
320 H GLY 47 HN GLY 47 24.258 12.370 31.715
321 HA2 GLY 47 HA2 GLY 47 25.056 14.848 32.411
322 HA3 GLY 47 HA1 GLY 47 25.747 14.690 30.800
323 H LEU 48 HN LEU 48 23.367 12.842 30.184
324 HA LEU 48 HA LEU 48 21.240 14.869 29.991
325 HB2 LEU 48 HB2 LEU 48 22.876 13.949 27.814
326 HB3 LEU 48 HB1 LEU 48 21.213 13.416 27.565
327 HG LEU 48 HG LEU 48 22.000 16.260 28.262
328 HD11 LEU 48 HD11 LEU 48 22.809 16.029 26.080
329 HD12 LEU 48 HD12 LEU 48 21.148 16.549 25.794
330 HD13 LEU 48 HD13 LEU 48 21.577 14.845 25.643
331 HD21 LEU 48 HD21 LEU 48 19.532 14.855 28.351
332 HD22 LEU 48 HD22 LEU 48 19.460 15.923 26.950
333 HD23 LEU 48 HD23 LEU 48 19.790 16.588 28.549
334 H VAL 49 HN VAL 49 22.260 11.650 30.449
335 HA VAL 49 HA VAL 49 19.811 10.315 29.804
336 HB VAL 49 HB VAL 49 22.233 9.552 31.432
337 HG11 VAL 49 HG11 VAL 49 19.588 8.166 31.106
338 HG12 VAL 49 HG12 VAL 49 20.612 8.285 32.536
339 HG13 VAL 49 HG13 VAL 49 21.062 7.205 31.217
340 HG21 VAL 49 HG21 VAL 49 22.568 7.983 29.565
341 HG22 VAL 49 HG22 VAL 49 22.430 9.633 28.957
342 HG23 VAL 49 HG23 VAL 49 21.062 8.528 28.824
343 H LEU 50 HN LEU 50 20.997 12.070 32.556
344 HA LEU 50 HA LEU 50 18.823 11.067 34.256
345 HB2 LEU 50 HB2 LEU 50 20.037 12.723 35.908
346 HB3 LEU 50 HB1 LEU 50 20.727 11.136 35.568
347 HG LEU 50 HG LEU 50 22.219 12.104 33.890
348 HD11 LEU 50 HD11 LEU 50 20.666 14.617 34.525
349 HD12 LEU 50 HD12 LEU 50 20.948 13.876 32.950
350 HD13 LEU 50 HD13 LEU 50 22.270 14.678 33.796
351 HD21 LEU 50 HD21 LEU 50 22.902 14.100 35.817
352 HD22 LEU 50 HD22 LEU 50 23.627 12.507 35.601
353 HD23 LEU 50 HD23 LEU 50 22.253 12.710 36.688
354 H TRP 51 HN TRP 51 19.065 13.281 31.920
355 HA TRP 51 HA TRP 51 17.736 15.492 33.289
356 HB2 TRP 51 HB2 TRP 51 19.098 16.445 31.714
357 HB3 TRP 51 HB1 TRP 51 18.987 15.061 30.626
358 HD1 TRP 51 HD1 TRP 51 16.799 14.876 29.084
359 HE1 TRP 51 HE1 TRP 51 15.167 16.682 28.233
360 HE3 TRP 51 HE3 TRP 51 17.959 18.688 32.278
361 HZ2 TRP 51 HZ2 TRP 51 14.450 19.386 28.830
362 HZ3 TRP 51 HZ3 TRP 51 16.788 20.865 32.115
363 HH2 TRP 51 HH2 TRP 51 15.036 21.219 30.397
364 H THR 52 HN THR 52 17.018 12.862 31.079
365 HA THR 52 HA THR 52 14.364 13.768 30.442
366 HB THR 52 HB THR 52 15.917 11.238 29.986
367 HG1 THR 52 HG1 THR 52 14.951 13.409 28.562
368 HG21 THR 52 HG21 THR 52 13.824 10.275 30.442
369 HG22 THR 52 HG22 THR 52 13.766 10.540 28.699
370 HG23 THR 52 HG23 THR 52 12.943 11.656 29.788
371 H VAL 53 HN VAL 53 15.827 11.761 32.900
372 HA VAL 53 HA VAL 53 13.472 10.465 33.811
373 HB VAL 53 HB VAL 53 16.048 11.130 35.257
374 HG11 VAL 53 HG11 VAL 53 15.233 9.151 36.702
375 HG12 VAL 53 HG12 VAL 53 13.642 9.468 36.011
376 HG13 VAL 53 HG13 VAL 53 14.454 10.712 36.961
377 HG21 VAL 53 HG21 VAL 53 16.489 8.695 34.816
378 HG22 VAL 53 HG22 VAL 53 16.403 9.668 33.348
379 HG23 VAL 53 HG23 VAL 53 15.036 8.658 33.818
380 H PHE 54 HN PHE 54 15.101 13.467 34.766
381 HA PHE 54 HA PHE 54 13.332 14.081 36.913
382 HB2 PHE 54 HB2 PHE 54 15.123 15.420 37.215
383 HB3 PHE 54 HB1 PHE 54 15.549 15.385 35.503
384 HD1 PHE 54 HD2 PHE 54 13.043 16.836 37.877
385 HD2 PHE 54 HD1 PHE 54 15.132 17.257 34.148
386 HE1 PHE 54 HE2 PHE 54 12.068 19.097 37.588
387 HE2 PHE 54 HE1 PHE 54 14.158 19.519 33.858
388 HZ PHE 54 HZ PHE 54 12.626 20.439 35.577
389 H ARG 55 HN ARG 55 13.287 14.686 33.463
390 HA ARG 55 HA ARG 55 11.312 16.706 33.415
391 HB2 ARG 55 HB2 ARG 55 12.705 15.044 31.505
392 HB3 ARG 55 HB1 ARG 55 10.997 15.169 31.085
393 HG2 ARG 55 HG2 ARG 55 12.743 17.553 31.757
394 HG3 ARG 55 HG1 ARG 55 12.425 17.004 30.112
395 HD2 ARG 55 HD2 ARG 55 10.427 18.033 30.097
396 HD3 ARG 55 HD1 ARG 55 9.945 17.205 31.574
397 HE ARG 55 HE ARG 55 10.574 19.096 32.795
398 HH11 ARG 55 HH21 ARG 55 11.621 19.271 29.502
399 HH12 ARG 55 HH22 ARG 55 12.080 20.939 29.591
400 HH21 ARG 55 HH11 ARG 55 11.173 21.284 32.920
401 HH22 ARG 55 HH12 ARG 55 11.826 22.079 31.526
402 H LYS 56 HN LYS 56 10.959 13.223 32.694
403 HA LYS 56 HA LYS 56 8.218 13.085 32.489
404 HB2 LYS 56 HB2 LYS 56 9.944 11.012 33.859
405 HB3 LYS 56 HB1 LYS 56 8.400 10.742 33.051
406 HG2 LYS 56 HG2 LYS 56 9.979 12.054 31.144
407 HG3 LYS 56 HG1 LYS 56 11.066 10.889 31.903
408 HD2 LYS 56 HD2 LYS 56 9.268 9.139 31.569
409 HD3 LYS 56 HD1 LYS 56 8.394 10.322 30.595
410 HE2 LYS 56 HE2 LYS 56 10.441 10.544 29.151
411 HE3 LYS 56 HE1 LYS 56 11.163 9.214 30.056
412 HZ1 LYS 56 HZ1 LYS 56 9.286 9.112 27.946
413 HZ2 LYS 56 HZ2 LYS 56 8.625 8.387 29.333
414 HZ3 LYS 56 HZ3 LYS 56 10.105 7.836 28.707
415 H LYS 57 HN LYS 57 10.132 12.667 35.471
416 HA LYS 57 HA LYS 57 7.820 12.528 37.157
417 HB2 LYS 57 HB2 LYS 57 10.764 12.913 37.713
418 HB3 LYS 57 HB1 LYS 57 9.549 12.856 38.992
419 HG2 LYS 57 HG2 LYS 57 9.111 10.616 38.670
420 HG3 LYS 57 HG1 LYS 57 9.499 10.680 36.950
421 HD2 LYS 57 HD2 LYS 57 11.890 10.853 37.470
422 HD3 LYS 57 HD1 LYS 57 11.529 10.852 39.197
423 HE2 LYS 57 HE2 LYS 57 12.176 8.602 38.542
424 HE3 LYS 57 HE1 LYS 57 10.453 8.606 38.916
425 HZ1 LYS 57 HZ1 LYS 57 11.713 7.907 36.509
426 HZ2 LYS 57 HZ2 LYS 57 10.746 9.275 36.225
427 HZ3 LYS 57 HZ3 LYS 57 10.060 7.868 36.883
428 H GLY 58 HN GLY 58 7.049 14.612 35.914
429 HA2 GLY 58 HA2 GLY 58 8.031 17.039 37.263
430 HA3 GLY 58 HA1 GLY 58 7.041 17.001 35.807
431 H HIS 59 HN HIS 59 7.040 16.735 39.294
432 HA HIS 59 HA HIS 59 4.108 16.575 39.353
433 HB2 HIS 59 HB2 HIS 59 6.295 15.929 41.234
434 HB3 HIS 59 HB1 HIS 59 4.849 16.631 41.963
435 HD2 HIS 59 HD2 HIS 59 6.028 13.243 40.583
436 HE1 HIS 59 HE1 HIS 59 1.834 12.973 40.976
437 HE2 HIS 59 HE2 HIS 59 3.960 11.650 40.551
438 H HIS 60 HN HIS 60 6.617 18.439 41.087
439 HA HIS 60 HA HIS 60 6.485 20.534 42.064
440 HB2 HIS 60 HB2 HIS 60 6.998 20.988 39.663
441 HB3 HIS 60 HB1 HIS 60 5.270 21.186 39.371
442 HD2 HIS 60 HD2 HIS 60 8.218 23.344 40.430
443 HE1 HIS 60 HE1 HIS 60 4.775 25.405 41.742
444 HE2 HIS 60 HE2 HIS 60 7.280 25.594 41.364
445 H HIS 61 HN HIS 61 4.773 19.701 43.540
446 HA HIS 61 HA HIS 61 2.046 20.536 42.930
447 HB2 HIS 61 HB2 HIS 61 1.613 19.605 45.255
448 HB3 HIS 61 HB1 HIS 61 2.204 18.445 44.064
449 HD2 HIS 61 HD2 HIS 61 4.552 17.170 44.814
450 HE1 HIS 61 HE1 HIS 61 5.595 19.723 48.010
451 HE2 HIS 61 HE2 HIS 61 6.218 17.590 46.780
452 H HIS 62 HN HIS 62 1.312 22.501 43.391
453 HA HIS 62 HA HIS 62 2.796 24.522 44.621
454 HB2 HIS 62 HB2 HIS 62 0.970 25.865 44.262
455 HB3 HIS 62 HB1 HIS 62 0.536 24.526 43.199
456 HD2 HIS 62 HD2 HIS 62 -0.954 22.431 44.987
457 HE1 HIS 62 HE1 HIS 62 -2.971 25.611 46.895
458 HE2 HIS 62 HE2 HIS 62 -2.978 23.105 46.493
459 H HIS 63 HN HIS 63 2.885 25.349 46.678
460 HA HIS 63 HA HIS 63 1.182 24.428 48.793
461 HB2 HIS 63 HB2 HIS 63 2.442 22.490 48.978
462 HB3 HIS 63 HB1 HIS 63 3.927 23.283 48.453
463 HD2 HIS 63 HD2 HIS 63 1.724 24.595 51.476
464 HE1 HIS 63 HE1 HIS 63 5.513 23.457 52.948
465 HE2 HIS 63 HE2 HIS 63 3.295 24.531 53.561
466 H HIS 64 HN HIS 64 0.843 26.558 49.317
467 HA HIS 64 HA HIS 64 2.554 28.681 49.374
468 HB2 HIS 64 HB2 HIS 64 0.118 28.721 49.979
469 HB3 HIS 64 HB1 HIS 64 0.557 28.100 51.570
470 HD2 HIS 64 HD2 HIS 64 0.284 30.403 53.115
471 HE1 HIS 64 HE1 HIS 64 2.689 32.941 50.748
472 HE2 HIS 64 HE2 HIS 64 1.391 32.761 52.923
Start of MODEL 5
1 H1 MET 1 HT1 MET 1 -1.479 8.680 1.450
2 H2 MET 1 HT2 MET 1 -1.861 8.472 3.093
3 H3 MET 1 HT3 MET 1 -1.067 9.882 2.574
4 HA MET 1 HA MET 1 -3.886 9.111 2.273
5 HB2 MET 1 HB2 MET 1 -2.609 11.812 2.749
6 HB3 MET 1 HB1 MET 1 -4.272 11.325 3.081
7 HG2 MET 1 HG2 MET 1 -3.305 9.608 4.703
8 HG3 MET 1 HG1 MET 1 -1.762 10.443 4.520
9 HE1 MET 1 HE1 MET 1 -4.945 10.292 6.669
10 HE2 MET 1 HE2 MET 1 -5.449 10.791 5.057
11 HE3 MET 1 HE3 MET 1 -5.643 11.897 6.414
12 H GLU 2 HN GLU 2 -5.166 10.454 0.779
13 HA GLU 2 HA GLU 2 -3.710 10.847 -1.750
14 HB2 GLU 2 HB2 GLU 2 -6.657 10.494 -1.156
15 HB3 GLU 2 HB1 GLU 2 -6.000 10.811 -2.762
16 HG2 GLU 2 HG2 GLU 2 -4.583 8.640 -1.434
17 HG3 GLU 2 HG1 GLU 2 -6.308 8.303 -1.570
18 H GLU 3 HN GLU 3 -3.367 12.835 0.191
19 HA GLU 3 HA GLU 3 -4.539 15.117 -1.218
20 HB2 GLU 3 HB2 GLU 3 -4.746 14.788 1.785
21 HB3 GLU 3 HB1 GLU 3 -5.262 16.195 0.855
22 HG2 GLU 3 HG2 GLU 3 -6.776 14.619 -0.454
23 HG3 GLU 3 HG1 GLU 3 -6.411 13.398 0.763
24 H GLY 4 HN GLY 4 -1.965 14.314 -1.477
25 HA2 GLY 4 HA2 GLY 4 -0.506 16.603 -0.589
26 HA3 GLY 4 HA1 GLY 4 -0.041 15.166 0.317
27 H GLY 5 HN GLY 5 0.374 13.187 -1.148
28 HA2 GLY 5 HA2 GLY 5 0.987 12.821 -3.643
29 HA3 GLY 5 HA1 GLY 5 2.180 14.070 -3.301
30 H ASP 6 HN ASP 6 3.254 11.828 -4.155
31 HA ASP 6 HA ASP 6 4.566 10.746 -1.773
32 HB2 ASP 6 HB2 ASP 6 3.133 9.077 -3.842
33 HB3 ASP 6 HB1 ASP 6 4.378 8.420 -2.780
34 H PHE 7 HN PHE 7 6.545 9.530 -2.332
35 HA PHE 7 HA PHE 7 7.608 9.926 -5.016
36 HB2 PHE 7 HB2 PHE 7 8.426 11.544 -2.664
37 HB3 PHE 7 HB1 PHE 7 9.721 10.933 -3.695
38 HD1 PHE 7 HD1 PHE 7 9.808 11.531 -6.100
39 HD2 PHE 7 HD2 PHE 7 6.867 13.210 -3.457
40 HE1 PHE 7 HE1 PHE 7 9.311 13.293 -7.772
41 HE2 PHE 7 HE2 PHE 7 6.371 14.973 -5.129
42 HZ PHE 7 HZ PHE 7 7.594 15.015 -7.287
43 H ASP 8 HN ASP 8 9.816 8.958 -5.211
44 HA ASP 8 HA ASP 8 10.594 7.069 -3.144
45 HB2 ASP 8 HB2 ASP 8 9.521 6.171 -5.823
46 HB3 ASP 8 HB1 ASP 8 10.503 5.144 -4.778
47 H ASN 9 HN ASN 9 12.078 9.154 -3.895
48 HA ASN 9 HA ASN 9 14.261 7.891 -5.411
49 HB2 ASN 9 HB2 ASN 9 12.782 9.600 -6.755
50 HB3 ASN 9 HB1 ASN 9 13.691 10.801 -5.838
51 HD21 ASN 9 HD21 ASN 9 14.093 8.067 -8.113
52 HD22 ASN 9 HD22 ASN 9 15.622 8.553 -8.667
53 H TYR 10 HN TYR 10 14.247 7.922 -2.713
54 HA TYR 10 HA TYR 10 15.185 10.135 -1.338
55 HB2 TYR 10 HB2 TYR 10 14.827 8.404 0.114
56 HB3 TYR 10 HB1 TYR 10 15.448 7.193 -1.008
57 HD1 TYR 10 HD1 TYR 10 16.493 9.988 1.235
58 HD2 TYR 10 HD2 TYR 10 17.686 6.439 -0.869
59 HE1 TYR 10 HE1 TYR 10 18.688 10.042 2.388
60 HE2 TYR 10 HE2 TYR 10 19.881 6.493 0.283
61 HH TYR 10 HH TYR 10 21.334 8.344 1.382
62 H TYR 11 HN TYR 11 16.768 11.447 -2.005
63 HA TYR 11 HA TYR 11 18.844 10.890 -3.743
64 HB2 TYR 11 HB2 TYR 11 18.184 13.009 -1.856
65 HB3 TYR 11 HB1 TYR 11 19.925 12.768 -2.002
66 HD1 TYR 11 HD1 TYR 11 16.809 13.297 -3.986
67 HD2 TYR 11 HD2 TYR 11 21.100 13.483 -3.931
68 HE1 TYR 11 HE1 TYR 11 16.787 14.453 -6.179
69 HE2 TYR 11 HE2 TYR 11 21.078 14.639 -6.124
70 HH TYR 11 HH TYR 11 19.819 15.285 -7.847
71 H GLY 12 HN GLY 12 21.269 11.321 -2.837
72 HA2 GLY 12 HA2 GLY 12 21.838 9.664 -0.502
73 HA3 GLY 12 HA1 GLY 12 22.412 9.045 -2.048
74 H ALA 13 HN ALA 13 22.933 11.317 0.484
75 HA ALA 13 HA ALA 13 24.677 13.138 -0.755
76 HB1 ALA 13 HB1 ALA 13 25.672 13.133 1.714
77 HB2 ALA 13 HB2 ALA 13 24.195 12.229 2.045
78 HB3 ALA 13 HB3 ALA 13 24.101 13.849 1.355
79 H ASP 14 HN ASP 14 25.813 11.622 -2.209
80 HA ASP 14 HA ASP 14 27.795 9.870 -0.993
81 HB2 ASP 14 HB2 ASP 14 28.384 9.312 -3.313
82 HB3 ASP 14 HB1 ASP 14 26.648 9.157 -3.044
83 H ASN 15 HN ASN 15 28.255 12.403 -0.116
84 HA ASN 15 HA ASN 15 30.866 12.959 -1.299
85 HB2 ASN 15 HB2 ASN 15 29.070 14.406 -2.439
86 HB3 ASN 15 HB1 ASN 15 28.949 15.246 -0.894
87 HD21 ASN 15 HD21 ASN 15 29.889 17.226 -1.772
88 HD22 ASN 15 HD22 ASN 15 31.537 17.318 -2.167
89 H GLN 16 HN GLN 16 30.587 11.765 1.065
90 HA GLN 16 HA GLN 16 30.319 13.561 3.279
91 HB2 GLN 16 HB2 GLN 16 31.531 11.584 4.468
92 HB3 GLN 16 HB1 GLN 16 29.900 11.335 3.846
93 HG2 GLN 16 HG2 GLN 16 32.168 10.806 1.985
94 HG3 GLN 16 HG1 GLN 16 31.898 9.643 3.282
95 HE21 GLN 16 HE21 GLN 16 29.181 11.452 1.946
96 HE22 GLN 16 HE22 GLN 16 28.477 10.141 1.131
97 H SER 17 HN SER 17 32.515 13.673 0.954
98 HA SER 17 HA SER 17 34.754 14.236 0.775
99 HB2 SER 17 HB2 SER 17 34.430 16.413 1.264
100 HB3 SER 17 HB1 SER 17 33.369 16.039 2.618
101 HG SER 17 HG SER 17 35.011 16.511 3.828
102 H GLU 18 HN GLU 18 35.879 12.368 1.276
103 HA GLU 18 HA GLU 18 37.073 12.328 3.969
104 HB2 GLU 18 HB2 GLU 18 35.330 10.304 2.804
105 HB3 GLU 18 HB1 GLU 18 36.902 9.646 3.261
106 HG2 GLU 18 HG2 GLU 18 36.670 10.542 5.516
107 HG3 GLU 18 HG1 GLU 18 35.155 11.331 5.078
108 H CYS 19 HN CYS 19 39.153 11.360 4.068
109 HA CYS 19 HA CYS 19 40.846 11.917 1.909
110 HB2 CYS 19 HB2 CYS 19 41.173 10.240 4.388
111 HB3 CYS 19 HB1 CYS 19 42.468 10.385 3.201
112 HG CYS 19 HG CYS 19 41.816 12.464 5.242
113 H GLU 20 HN GLU 20 41.354 8.721 3.053
114 HA GLU 20 HA GLU 20 40.918 7.690 0.333
115 HB2 GLU 20 HB2 GLU 20 43.124 7.434 1.723
116 HB3 GLU 20 HB1 GLU 20 42.245 6.131 2.524
117 HG2 GLU 20 HG2 GLU 20 41.673 5.436 0.028
118 HG3 GLU 20 HG1 GLU 20 43.144 6.340 -0.324
119 H TYR 21 HN TYR 21 39.190 7.967 3.084
120 HA TYR 21 HA TYR 21 37.574 6.710 4.165
121 HB2 TYR 21 HB2 TYR 21 35.862 5.907 2.542
122 HB3 TYR 21 HB1 TYR 21 36.396 7.561 2.241
123 HD1 TYR 21 HD1 TYR 21 36.533 4.075 1.052
124 HD2 TYR 21 HD2 TYR 21 37.790 8.116 0.321
125 HE1 TYR 21 HE1 TYR 21 37.230 3.443 -1.242
126 HE2 TYR 21 HE2 TYR 21 38.488 7.485 -1.973
127 HH TYR 21 HH TYR 21 37.620 4.489 -3.397
128 H THR 22 HN THR 22 40.127 5.253 3.542
129 HA THR 22 HA THR 22 39.121 2.502 3.262
130 HB THR 22 HB THR 22 41.853 3.745 3.007
131 HG1 THR 22 HG1 THR 22 40.838 1.884 1.239
132 HG21 THR 22 HG21 THR 22 41.088 0.886 3.536
133 HG22 THR 22 HG22 THR 22 42.421 1.821 4.214
134 HG23 THR 22 HG23 THR 22 42.499 1.255 2.544
135 H ASP 23 HN ASP 23 41.228 4.473 5.353
136 HA ASP 23 HA ASP 23 40.999 2.422 7.454
137 HB2 ASP 23 HB2 ASP 23 43.192 3.791 6.565
138 HB3 ASP 23 HB1 ASP 23 42.708 4.767 7.951
139 H TRP 24 HN TRP 24 38.831 4.287 6.709
140 HA TRP 24 HA TRP 24 38.527 6.456 8.398
141 HB2 TRP 24 HB2 TRP 24 36.001 5.693 8.329
142 HB3 TRP 24 HB1 TRP 24 36.805 6.268 6.871
143 HD1 TRP 24 HD1 TRP 24 37.632 2.813 8.228
144 HE1 TRP 24 HE1 TRP 24 36.757 1.037 6.580
145 HE3 TRP 24 HE3 TRP 24 34.953 5.791 5.060
146 HZ2 TRP 24 HZ2 TRP 24 35.136 0.895 4.228
147 HZ3 TRP 24 HZ3 TRP 24 33.755 4.810 3.125
148 HH2 TRP 24 HH2 TRP 24 33.842 2.368 2.705
149 H LYS 25 HN LYS 25 36.203 4.085 9.276
150 HA LYS 25 HA LYS 25 37.120 4.234 12.058
151 HB2 LYS 25 HB2 LYS 25 34.871 3.218 12.541
152 HB3 LYS 25 HB1 LYS 25 34.803 4.791 11.745
153 HG2 LYS 25 HG2 LYS 25 33.707 3.913 9.987
154 HG3 LYS 25 HG1 LYS 25 34.962 2.694 9.765
155 HD2 LYS 25 HD2 LYS 25 33.920 1.317 11.546
156 HD3 LYS 25 HD1 LYS 25 32.641 2.522 11.709
157 HE2 LYS 25 HE2 LYS 25 32.938 1.816 8.933
158 HE3 LYS 25 HE1 LYS 25 32.736 0.350 9.893
159 HZ1 LYS 25 HZ1 LYS 25 30.713 1.088 10.735
160 HZ2 LYS 25 HZ2 LYS 25 30.649 1.546 9.101
161 HZ3 LYS 25 HZ3 LYS 25 30.995 2.702 10.296
162 H SER 26 HN SER 26 38.887 2.774 11.883
163 HA SER 26 HA SER 26 38.089 -0.001 12.201
164 HB2 SER 26 HB2 SER 26 39.774 0.950 9.896
165 HB3 SER 26 HB1 SER 26 39.941 -0.683 10.536
166 HG SER 26 HG SER 26 37.357 -0.174 10.287
167 H SER 27 HN SER 27 41.234 1.352 11.299
168 HA SER 27 HA SER 27 43.261 1.302 12.388
169 HB2 SER 27 HB2 SER 27 41.630 2.929 13.780
170 HB3 SER 27 HB1 SER 27 41.969 1.732 15.026
171 HG SER 27 HG SER 27 43.585 3.639 13.923
172 H GLY 28 HN GLY 28 42.030 -1.227 12.055
173 HA2 GLY 28 HA2 GLY 28 42.534 -3.397 12.684
174 HA3 GLY 28 HA1 GLY 28 43.500 -2.746 14.006
175 H ALA 29 HN ALA 29 40.704 -1.178 14.361
176 HA ALA 29 HA ALA 29 38.887 -1.371 15.755
177 HB1 ALA 29 HB1 ALA 29 38.557 -3.407 14.143
178 HB2 ALA 29 HB2 ALA 29 37.611 -3.312 15.629
179 HB3 ALA 29 HB3 ALA 29 39.029 -4.360 15.551
180 H LEU 30 HN LEU 30 41.691 -1.555 16.734
181 HA LEU 30 HA LEU 30 41.194 -2.965 19.290
182 HB2 LEU 30 HB2 LEU 30 43.819 -2.371 17.904
183 HB3 LEU 30 HB1 LEU 30 43.656 -3.126 19.490
184 HG LEU 30 HG LEU 30 42.047 -4.377 17.351
185 HD11 LEU 30 HD11 LEU 30 44.058 -3.856 16.060
186 HD12 LEU 30 HD12 LEU 30 44.025 -5.580 16.426
187 HD13 LEU 30 HD13 LEU 30 45.079 -4.503 17.344
188 HD21 LEU 30 HD21 LEU 30 44.045 -5.553 19.303
189 HD22 LEU 30 HD22 LEU 30 42.720 -6.388 18.492
190 HD23 LEU 30 HD23 LEU 30 42.375 -5.188 19.738
191 H ILE 31 HN ILE 31 42.252 -0.014 17.729
192 HA ILE 31 HA ILE 31 43.029 1.272 20.184
193 HB ILE 31 HB ILE 31 43.142 1.854 17.340
194 HG12 ILE 31 HG12 ILE 31 45.029 1.549 18.988
195 HG13 ILE 31 HG11 ILE 31 45.155 2.990 17.983
196 HG21 ILE 31 HG21 ILE 31 41.472 3.569 17.749
197 HG22 ILE 31 HG22 ILE 31 43.044 4.342 17.589
198 HG23 ILE 31 HG23 ILE 31 42.333 4.131 19.184
199 HD11 ILE 31 HD11 ILE 31 43.672 3.476 20.469
200 HD12 ILE 31 HD12 ILE 31 45.019 4.370 19.769
201 HD13 ILE 31 HD13 ILE 31 45.327 2.937 20.748
202 HA PRO 32 HA PRO 32 38.722 3.454 19.338
203 HB2 PRO 32 HB2 PRO 32 37.200 1.098 18.378
204 HB3 PRO 32 HB1 PRO 32 37.166 2.775 17.802
205 HG2 PRO 32 HG2 PRO 32 38.313 0.814 16.393
206 HG3 PRO 32 HG1 PRO 32 38.943 2.470 16.395
207 HD2 PRO 32 HD2 PRO 32 39.994 0.051 17.814
208 HD3 PRO 32 HD1 PRO 32 40.882 1.403 17.077
209 H ALA 33 HN ALA 33 38.441 -0.060 19.948
210 HA ALA 33 HA ALA 33 36.550 -0.055 21.944
211 HB1 ALA 33 HB1 ALA 33 37.165 -2.194 21.349
212 HB2 ALA 33 HB2 ALA 33 38.052 -2.040 22.864
213 HB3 ALA 33 HB3 ALA 33 38.886 -1.810 21.328
214 H ILE 34 HN ILE 34 39.905 0.918 22.139
215 HA ILE 34 HA ILE 34 39.937 1.021 25.031
216 HB ILE 34 HB ILE 34 41.845 1.798 22.848
217 HG12 ILE 34 HG12 ILE 34 42.445 0.222 25.334
218 HG13 ILE 34 HG11 ILE 34 41.532 -0.539 24.030
219 HG21 ILE 34 HG21 ILE 34 41.831 2.714 25.718
220 HG22 ILE 34 HG22 ILE 34 42.175 3.649 24.263
221 HG23 ILE 34 HG23 ILE 34 43.353 2.481 24.860
222 HD11 ILE 34 HD11 ILE 34 44.180 0.869 23.606
223 HD12 ILE 34 HD12 ILE 34 43.310 -0.142 22.453
224 HD13 ILE 34 HD13 ILE 34 44.038 -0.867 23.886
225 H TYR 35 HN TYR 35 39.233 3.156 22.371
226 HA TYR 35 HA TYR 35 39.366 5.592 23.883
227 HB2 TYR 35 HB2 TYR 35 39.074 4.878 21.171
228 HB3 TYR 35 HB1 TYR 35 37.616 5.771 21.602
229 HD1 TYR 35 HD2 TYR 35 38.280 7.790 23.411
230 HD2 TYR 35 HD1 TYR 35 40.728 6.236 20.241
231 HE1 TYR 35 HE2 TYR 35 39.554 9.918 23.349
232 HE2 TYR 35 HE1 TYR 35 42.000 8.363 20.180
233 HH TYR 35 HH TYR 35 42.277 10.364 21.087
234 H MET 36 HN MET 36 36.610 3.818 22.461
235 HA MET 36 HA MET 36 34.541 5.209 23.629
236 HB2 MET 36 HB2 MET 36 33.377 2.871 23.650
237 HB3 MET 36 HB1 MET 36 33.866 3.568 22.108
238 HG2 MET 36 HG2 MET 36 35.476 2.005 21.763
239 HG3 MET 36 HG1 MET 36 35.945 1.961 23.462
240 HE1 MET 36 HE1 MET 36 34.213 -0.335 25.270
241 HE2 MET 36 HE2 MET 36 32.854 0.753 25.004
242 HE3 MET 36 HE3 MET 36 34.478 1.410 25.175
243 H LEU 37 HN LEU 37 36.792 3.017 25.101
244 HA LEU 37 HA LEU 37 35.377 2.324 27.430
245 HB2 LEU 37 HB2 LEU 37 37.936 1.863 26.399
246 HB3 LEU 37 HB1 LEU 37 38.220 2.739 27.901
247 HG LEU 37 HG LEU 37 38.159 0.355 28.380
248 HD11 LEU 37 HD11 LEU 37 35.469 1.032 29.385
249 HD12 LEU 37 HD12 LEU 37 36.698 2.258 29.699
250 HD13 LEU 37 HD13 LEU 37 36.931 0.609 30.274
251 HD21 LEU 37 HD21 LEU 37 36.792 -1.054 27.276
252 HD22 LEU 37 HD22 LEU 37 36.183 0.323 26.358
253 HD23 LEU 37 HD23 LEU 37 35.369 -0.179 27.839
254 H VAL 38 HN VAL 38 37.800 4.904 26.956
255 HA VAL 38 HA VAL 38 37.271 6.102 29.505
256 HB VAL 38 HB VAL 38 38.560 7.584 27.240
257 HG11 VAL 38 HG11 VAL 38 38.298 8.637 29.468
258 HG12 VAL 38 HG12 VAL 38 39.997 8.378 29.072
259 HG13 VAL 38 HG13 VAL 38 39.179 7.293 30.197
260 HG21 VAL 38 HG21 VAL 38 40.699 6.362 27.965
261 HG22 VAL 38 HG22 VAL 38 39.571 5.439 26.971
262 HG23 VAL 38 HG23 VAL 38 39.637 5.169 28.712
263 H PHE 39 HN PHE 39 35.459 5.996 26.747
264 HA PHE 39 HA PHE 39 34.500 8.739 26.791
265 HB2 PHE 39 HB2 PHE 39 34.681 7.294 24.700
266 HB3 PHE 39 HB1 PHE 39 33.282 6.408 25.308
267 HD1 PHE 39 HD1 PHE 39 34.470 9.847 24.452
268 HD2 PHE 39 HD2 PHE 39 31.098 7.242 24.997
269 HE1 PHE 39 HE1 PHE 39 32.965 11.609 23.569
270 HE2 PHE 39 HE2 PHE 39 29.594 9.005 24.115
271 HZ PHE 39 HZ PHE 39 30.528 11.188 23.401
272 H LEU 40 HN LEU 40 32.647 5.702 26.873
273 HA LEU 40 HA LEU 40 30.401 6.734 28.148
274 HB2 LEU 40 HB2 LEU 40 29.855 4.397 28.715
275 HB3 LEU 40 HB1 LEU 40 30.422 4.541 27.051
276 HG LEU 40 HG LEU 40 32.771 4.151 28.449
277 HD11 LEU 40 HD11 LEU 40 30.763 2.188 29.569
278 HD12 LEU 40 HD12 LEU 40 31.247 3.638 30.448
279 HD13 LEU 40 HD13 LEU 40 32.446 2.410 30.043
280 HD21 LEU 40 HD21 LEU 40 30.955 2.074 27.181
281 HD22 LEU 40 HD22 LEU 40 32.683 1.875 27.472
282 HD23 LEU 40 HD23 LEU 40 32.115 3.087 26.323
283 H LEU 41 HN LEU 41 33.483 6.419 29.406
284 HA LEU 41 HA LEU 41 32.940 5.655 32.087
285 HB2 LEU 41 HB2 LEU 41 35.209 6.518 30.548
286 HB3 LEU 41 HB1 LEU 41 35.156 7.410 32.068
287 HG LEU 41 HG LEU 41 34.907 4.397 31.856
288 HD11 LEU 41 HD11 LEU 41 37.252 6.222 32.103
289 HD12 LEU 41 HD12 LEU 41 37.140 4.632 31.349
290 HD13 LEU 41 HD13 LEU 41 37.254 4.771 33.103
291 HD21 LEU 41 HD21 LEU 41 35.797 5.439 34.392
292 HD22 LEU 41 HD22 LEU 41 34.356 4.486 34.040
293 HD23 LEU 41 HD23 LEU 41 34.301 6.245 33.922
294 H GLY 42 HN GLY 42 32.960 8.755 30.401
295 HA2 GLY 42 HA2 GLY 42 31.288 9.946 32.423
296 HA3 GLY 42 HA1 GLY 42 32.925 10.595 32.419
297 H THR 43 HN THR 43 30.679 9.600 29.829
298 HA THR 43 HA THR 43 31.259 12.137 28.453
299 HB THR 43 HB THR 43 31.628 10.012 27.210
300 HG1 THR 43 HG1 THR 43 29.521 11.691 26.329
301 HG21 THR 43 HG21 THR 43 28.633 9.698 27.165
302 HG22 THR 43 HG22 THR 43 29.602 8.925 28.419
303 HG23 THR 43 HG23 THR 43 29.873 8.523 26.724
304 H THR 44 HN THR 44 28.544 10.038 29.390
305 HA THR 44 HA THR 44 26.683 12.263 28.883
306 HB THR 44 HB THR 44 24.997 10.327 29.439
307 HG1 THR 44 HG1 THR 44 27.276 8.886 28.577
308 HG21 THR 44 HG21 THR 44 24.852 11.071 27.262
309 HG22 THR 44 HG22 THR 44 25.533 9.471 26.968
310 HG23 THR 44 HG23 THR 44 26.582 10.890 26.974
311 H GLY 45 HN GLY 45 27.259 9.756 31.364
312 HA2 GLY 45 HA2 GLY 45 27.492 11.320 33.593
313 HA3 GLY 45 HA1 GLY 45 25.752 11.189 33.358
314 H ASN 46 HN ASN 46 25.508 8.607 32.421
315 HA ASN 46 HA ASN 46 25.332 6.430 33.133
316 HB2 ASN 46 HB2 ASN 46 28.046 7.131 33.430
317 HB3 ASN 46 HB1 ASN 46 27.596 6.281 34.907
318 HD21 ASN 46 HD21 ASN 46 26.609 5.863 31.454
319 HD22 ASN 46 HD22 ASN 46 26.984 4.208 31.403
320 H GLY 47 HN GLY 47 23.692 6.080 34.484
321 HA2 GLY 47 HA2 GLY 47 23.506 5.440 36.978
322 HA3 GLY 47 HA1 GLY 47 23.834 7.152 37.228
323 H LEU 48 HN LEU 48 22.301 8.707 36.392
324 HA LEU 48 HA LEU 48 19.654 7.650 35.687
325 HB2 LEU 48 HB2 LEU 48 20.351 8.721 38.268
326 HB3 LEU 48 HB1 LEU 48 19.176 9.776 37.479
327 HG LEU 48 HG LEU 48 18.864 6.770 37.714
328 HD11 LEU 48 HD11 LEU 48 18.424 7.266 39.893
329 HD12 LEU 48 HD12 LEU 48 16.898 7.881 39.258
330 HD13 LEU 48 HD13 LEU 48 18.237 8.988 39.563
331 HD21 LEU 48 HD21 LEU 48 16.446 8.307 37.360
332 HD22 LEU 48 HD22 LEU 48 17.110 7.044 36.323
333 HD23 LEU 48 HD23 LEU 48 17.600 8.722 36.092
334 H VAL 49 HN VAL 49 22.121 9.651 34.976
335 HA VAL 49 HA VAL 49 20.719 12.063 34.286
336 HB VAL 49 HB VAL 49 23.408 11.042 33.335
337 HG11 VAL 49 HG11 VAL 49 23.291 13.862 33.460
338 HG12 VAL 49 HG12 VAL 49 21.807 13.351 32.655
339 HG13 VAL 49 HG13 VAL 49 23.376 12.862 32.010
340 HG21 VAL 49 HG21 VAL 49 23.744 11.255 35.619
341 HG22 VAL 49 HG22 VAL 49 22.470 12.462 35.798
342 HG23 VAL 49 HG23 VAL 49 24.030 12.922 35.118
343 H LEU 50 HN LEU 50 22.157 9.433 32.342
344 HA LEU 50 HA LEU 50 21.462 10.149 29.817
345 HB2 LEU 50 HB2 LEU 50 20.813 7.339 30.584
346 HB3 LEU 50 HB1 LEU 50 21.738 7.945 29.212
347 HG LEU 50 HG LEU 50 23.399 8.756 31.121
348 HD11 LEU 50 HD11 LEU 50 23.308 7.617 33.129
349 HD12 LEU 50 HD12 LEU 50 22.511 6.215 32.417
350 HD13 LEU 50 HD13 LEU 50 21.584 7.674 32.765
351 HD21 LEU 50 HD21 LEU 50 24.313 7.306 29.550
352 HD22 LEU 50 HD22 LEU 50 23.065 6.084 29.801
353 HD23 LEU 50 HD23 LEU 50 24.353 6.287 30.989
354 H TRP 51 HN TRP 51 19.312 8.587 32.179
355 HA TRP 51 HA TRP 51 17.051 8.154 30.709
356 HB2 TRP 51 HB2 TRP 51 16.319 7.650 32.763
357 HB3 TRP 51 HB1 TRP 51 17.667 8.529 33.483
358 HD1 TRP 51 HD1 TRP 51 17.295 11.234 33.798
359 HE1 TRP 51 HE1 TRP 51 15.138 12.528 34.365
360 HE3 TRP 51 HE3 TRP 51 13.805 7.723 32.544
361 HZ2 TRP 51 HZ2 TRP 51 12.307 12.127 34.295
362 HZ3 TRP 51 HZ3 TRP 51 11.388 8.204 32.804
363 HH2 TRP 51 HH2 TRP 51 10.635 10.399 33.677
364 H THR 52 HN THR 52 18.262 11.246 31.895
365 HA THR 52 HA THR 52 15.939 12.718 31.005
366 HB THR 52 HB THR 52 18.647 13.554 32.053
367 HG1 THR 52 HG1 THR 52 16.142 14.126 33.169
368 HG21 THR 52 HG21 THR 52 17.269 15.826 32.194
369 HG22 THR 52 HG22 THR 52 16.445 15.137 30.794
370 HG23 THR 52 HG23 THR 52 18.188 15.405 30.748
371 H VAL 53 HN VAL 53 19.356 12.541 29.986
372 HA VAL 53 HA VAL 53 19.243 14.208 27.776
373 HB VAL 53 HB VAL 53 20.822 11.632 27.890
374 HG11 VAL 53 HG11 VAL 53 22.446 12.986 26.580
375 HG12 VAL 53 HG12 VAL 53 21.299 14.326 26.577
376 HG13 VAL 53 HG13 VAL 53 20.899 12.821 25.748
377 HG21 VAL 53 HG21 VAL 53 22.581 13.176 28.935
378 HG22 VAL 53 HG22 VAL 53 21.240 12.711 29.981
379 HG23 VAL 53 HG23 VAL 53 21.263 14.308 29.233
380 H PHE 54 HN PHE 54 17.932 11.022 28.196
381 HA PHE 54 HA PHE 54 17.495 10.639 25.335
382 HB2 PHE 54 HB2 PHE 54 17.760 8.520 26.061
383 HB3 PHE 54 HB1 PHE 54 17.435 8.964 27.736
384 HD1 PHE 54 HD1 PHE 54 15.785 8.295 24.456
385 HD2 PHE 54 HD2 PHE 54 15.320 8.554 28.718
386 HE1 PHE 54 HE1 PHE 54 13.500 7.353 24.264
387 HE2 PHE 54 HE2 PHE 54 13.035 7.612 28.527
388 HZ PHE 54 HZ PHE 54 12.124 7.012 26.299
389 H ARG 55 HN ARG 55 15.881 11.960 28.052
390 HA ARG 55 HA ARG 55 13.195 11.556 27.067
391 HB2 ARG 55 HB2 ARG 55 14.381 13.189 29.310
392 HB3 ARG 55 HB1 ARG 55 12.668 13.269 28.895
393 HG2 ARG 55 HG2 ARG 55 13.724 10.527 29.119
394 HG3 ARG 55 HG1 ARG 55 13.762 11.442 30.628
395 HD2 ARG 55 HD2 ARG 55 11.604 10.129 30.094
396 HD3 ARG 55 HD1 ARG 55 11.429 11.805 30.605
397 HE ARG 55 HE ARG 55 11.587 11.903 27.850
398 HH11 ARG 55 HH21 ARG 55 9.623 10.335 30.228
399 HH12 ARG 55 HH22 ARG 55 8.201 10.313 29.239
400 HH21 ARG 55 HH11 ARG 55 9.726 11.878 26.547
401 HH22 ARG 55 HH12 ARG 55 8.260 11.187 27.156
402 H LYS 56 HN LYS 56 15.499 14.258 27.219
403 HA LYS 56 HA LYS 56 13.807 16.204 26.063
404 HB2 LYS 56 HB2 LYS 56 16.794 16.187 25.696
405 HB3 LYS 56 HB1 LYS 56 15.714 17.564 25.922
406 HG2 LYS 56 HG2 LYS 56 15.217 16.240 28.220
407 HG3 LYS 56 HG1 LYS 56 16.880 15.722 27.944
408 HD2 LYS 56 HD2 LYS 56 15.901 18.591 28.035
409 HD3 LYS 56 HD1 LYS 56 16.856 17.781 29.278
410 HE2 LYS 56 HE2 LYS 56 18.410 17.305 27.106
411 HE3 LYS 56 HE1 LYS 56 17.700 18.852 26.644
412 HZ1 LYS 56 HZ1 LYS 56 18.685 19.930 28.369
413 HZ2 LYS 56 HZ2 LYS 56 19.850 18.718 28.120
414 HZ3 LYS 56 HZ3 LYS 56 18.713 18.563 29.373
415 H LYS 57 HN LYS 57 16.245 14.044 24.630
416 HA LYS 57 HA LYS 57 15.711 14.962 21.948
417 HB2 LYS 57 HB2 LYS 57 17.356 12.718 23.110
418 HB3 LYS 57 HB1 LYS 57 17.144 12.913 21.370
419 HG2 LYS 57 HG2 LYS 57 18.321 14.915 21.311
420 HG3 LYS 57 HG1 LYS 57 17.973 15.289 22.999
421 HD2 LYS 57 HD2 LYS 57 19.541 13.632 23.770
422 HD3 LYS 57 HD1 LYS 57 19.758 13.000 22.138
423 HE2 LYS 57 HE2 LYS 57 20.281 15.892 22.409
424 HE3 LYS 57 HE1 LYS 57 21.401 14.858 23.296
425 HZ1 LYS 57 HZ1 LYS 57 21.243 15.325 20.514
426 HZ2 LYS 57 HZ2 LYS 57 21.021 13.671 20.827
427 HZ3 LYS 57 HZ3 LYS 57 22.416 14.463 21.384
428 H GLY 58 HN GLY 58 13.279 14.402 22.759
429 HA2 GLY 58 HA2 GLY 58 12.367 11.743 22.576
430 HA3 GLY 58 HA1 GLY 58 11.384 13.178 22.308
431 H HIS 59 HN HIS 59 10.373 13.021 20.412
432 HA HIS 59 HA HIS 59 11.661 11.626 18.180
433 HB2 HIS 59 HB2 HIS 59 8.957 12.816 17.877
434 HB3 HIS 59 HB1 HIS 59 9.564 11.244 17.358
435 HD2 HIS 59 HD2 HIS 59 6.842 11.885 19.476
436 HE1 HIS 59 HE1 HIS 59 9.172 9.486 22.051
437 HE2 HIS 59 HE2 HIS 59 6.852 10.437 21.649
438 H HIS 60 HN HIS 60 9.702 14.601 18.443
439 HA HIS 60 HA HIS 60 10.772 15.749 16.082
440 HB2 HIS 60 HB2 HIS 60 8.573 16.373 17.056
441 HB3 HIS 60 HB1 HIS 60 9.415 17.145 18.399
442 HD2 HIS 60 HD2 HIS 60 7.874 19.361 16.788
443 HE1 HIS 60 HE1 HIS 60 11.366 19.986 14.499
444 HE2 HIS 60 HE2 HIS 60 9.122 20.974 15.157
445 H HIS 61 HN HIS 61 13.079 15.202 16.809
446 HA HIS 61 HA HIS 61 14.318 16.865 18.781
447 HB2 HIS 61 HB2 HIS 61 16.382 15.906 18.046
448 HB3 HIS 61 HB1 HIS 61 15.174 14.622 17.976
449 HD2 HIS 61 HD2 HIS 61 14.009 14.454 15.174
450 HE1 HIS 61 HE1 HIS 61 17.682 15.670 13.485
451 HE2 HIS 61 HE2 HIS 61 15.428 14.611 12.987
452 H HIS 62 HN HIS 62 14.279 16.895 15.218
453 HA HIS 62 HA HIS 62 14.409 19.759 15.149
454 HB2 HIS 62 HB2 HIS 62 16.700 19.718 15.412
455 HB3 HIS 62 HB1 HIS 62 16.860 18.120 14.683
456 HD2 HIS 62 HD2 HIS 62 17.111 18.119 11.859
457 HE1 HIS 62 HE1 HIS 62 17.077 22.315 11.394
458 HE2 HIS 62 HE2 HIS 62 17.467 20.106 10.203
459 H HIS 63 HN HIS 63 13.277 20.373 13.423
460 HA HIS 63 HA HIS 63 13.562 19.098 10.864
461 HB2 HIS 63 HB2 HIS 63 11.189 18.547 12.595
462 HB3 HIS 63 HB1 HIS 63 10.951 18.713 10.856
463 HD2 HIS 63 HD2 HIS 63 13.468 17.082 9.662
464 HE1 HIS 63 HE1 HIS 63 12.377 13.956 12.281
465 HE2 HIS 63 HE2 HIS 63 13.731 14.544 10.215
466 H HIS 64 HN HIS 64 12.908 20.422 9.217
467 HA HIS 64 HA HIS 64 12.267 22.363 8.173
468 HB2 HIS 64 HB2 HIS 64 10.131 21.620 9.883
469 HB3 HIS 64 HB1 HIS 64 10.322 23.368 10.023
470 HD2 HIS 64 HD2 HIS 64 10.567 21.077 6.758
471 HE1 HIS 64 HE1 HIS 64 7.917 24.283 6.032
472 HE2 HIS 64 HE2 HIS 64 9.028 22.244 5.001
Start of MODEL 6
1 H1 MET 1 HT1 MET 1 -5.643 -32.996 22.369
2 H2 MET 1 HT2 MET 1 -5.893 -31.551 21.512
3 H3 MET 1 HT3 MET 1 -4.315 -32.118 21.783
4 HA MET 1 HA MET 1 -5.468 -34.217 20.531
5 HB2 MET 1 HB2 MET 1 -6.430 -31.636 19.258
6 HB3 MET 1 HB1 MET 1 -6.604 -33.251 18.570
7 HG2 MET 1 HG2 MET 1 -8.680 -32.924 19.610
8 HG3 MET 1 HG1 MET 1 -7.778 -33.819 20.834
9 HE1 MET 1 HE1 MET 1 -10.397 -31.192 21.076
10 HE2 MET 1 HE2 MET 1 -10.042 -31.456 22.782
11 HE3 MET 1 HE3 MET 1 -10.050 -32.822 21.669
12 H GLU 2 HN GLU 2 -4.066 -34.855 18.928
13 HA GLU 2 HA GLU 2 -2.212 -32.893 17.786
14 HB2 GLU 2 HB2 GLU 2 -0.373 -34.711 18.327
15 HB3 GLU 2 HB1 GLU 2 -0.797 -33.482 19.517
16 HG2 GLU 2 HG2 GLU 2 -2.160 -34.983 20.747
17 HG3 GLU 2 HG1 GLU 2 -2.209 -36.148 19.425
18 H GLU 3 HN GLU 3 -2.870 -33.235 15.715
19 HA GLU 3 HA GLU 3 -2.324 -35.903 14.598
20 HB2 GLU 3 HB2 GLU 3 -4.870 -34.314 14.298
21 HB3 GLU 3 HB1 GLU 3 -4.389 -35.539 13.124
22 HG2 GLU 3 HG2 GLU 3 -4.397 -37.264 14.796
23 HG3 GLU 3 HG1 GLU 3 -4.585 -36.086 16.094
24 H GLY 4 HN GLY 4 -0.523 -33.904 14.418
25 HA2 GLY 4 HA2 GLY 4 0.087 -33.664 11.752
26 HA3 GLY 4 HA1 GLY 4 -0.885 -32.240 12.108
27 H GLY 5 HN GLY 5 -0.173 -31.016 14.128
28 HA2 GLY 5 HA2 GLY 5 1.438 -29.859 15.304
29 HA3 GLY 5 HA1 GLY 5 2.510 -31.235 15.057
30 H ASP 6 HN ASP 6 3.744 -31.351 13.095
31 HA ASP 6 HA ASP 6 5.300 -30.334 11.714
32 HB2 ASP 6 HB2 ASP 6 2.806 -30.359 10.577
33 HB3 ASP 6 HB1 ASP 6 3.255 -28.661 10.426
34 H PHE 7 HN PHE 7 5.297 -27.847 10.453
35 HA PHE 7 HA PHE 7 5.857 -26.096 12.751
36 HB2 PHE 7 HB2 PHE 7 7.247 -26.664 10.347
37 HB3 PHE 7 HB1 PHE 7 6.717 -24.985 10.252
38 HD1 PHE 7 HD2 PHE 7 7.122 -23.500 12.345
39 HD2 PHE 7 HD1 PHE 7 9.123 -27.235 11.640
40 HE1 PHE 7 HE2 PHE 7 8.907 -22.846 13.939
41 HE2 PHE 7 HE1 PHE 7 10.907 -26.581 13.234
42 HZ PHE 7 HZ PHE 7 10.799 -24.386 14.384
43 H ASP 8 HN ASP 8 5.269 -23.842 12.637
44 HA ASP 8 HA ASP 8 3.265 -23.041 10.686
45 HB2 ASP 8 HB2 ASP 8 2.626 -23.351 13.625
46 HB3 ASP 8 HB1 ASP 8 1.641 -22.416 12.501
47 H ASN 9 HN ASN 9 5.592 -21.880 10.702
48 HA ASN 9 HA ASN 9 5.098 -19.278 11.979
49 HB2 ASN 9 HB2 ASN 9 6.778 -20.803 13.265
50 HB3 ASN 9 HB1 ASN 9 7.879 -20.407 11.946
51 HD21 ASN 9 HD21 ASN 9 6.201 -17.702 11.858
52 HD22 ASN 9 HD22 ASN 9 6.966 -16.777 13.059
53 H TYR 10 HN TYR 10 4.563 -19.870 9.343
54 HA TYR 10 HA TYR 10 6.594 -19.520 7.476
55 HB2 TYR 10 HB2 TYR 10 3.667 -19.073 7.530
56 HB3 TYR 10 HB1 TYR 10 4.556 -18.210 6.274
57 HD1 TYR 10 HD1 TYR 10 5.911 -19.451 4.609
58 HD2 TYR 10 HD2 TYR 10 3.477 -21.480 7.509
59 HE1 TYR 10 HE1 TYR 10 6.086 -21.546 3.293
60 HE2 TYR 10 HE2 TYR 10 3.652 -23.574 6.192
61 HH TYR 10 HH TYR 10 5.356 -23.642 3.069
62 H TYR 11 HN TYR 11 8.142 -18.015 7.950
63 HA TYR 11 HA TYR 11 7.745 -15.460 9.014
64 HB2 TYR 11 HB2 TYR 11 9.964 -14.953 7.806
65 HB3 TYR 11 HB1 TYR 11 9.965 -16.250 9.001
66 HD1 TYR 11 HD1 TYR 11 9.571 -15.602 5.340
67 HD2 TYR 11 HD2 TYR 11 10.602 -18.436 8.398
68 HE1 TYR 11 HE1 TYR 11 10.315 -17.208 3.602
69 HE2 TYR 11 HE2 TYR 11 11.345 -20.042 6.660
70 HH TYR 11 HH TYR 11 10.724 -19.512 3.285
71 H GLY 12 HN GLY 12 8.136 -13.375 7.855
72 HA2 GLY 12 HA2 GLY 12 7.493 -13.221 5.048
73 HA3 GLY 12 HA1 GLY 12 6.171 -12.702 6.089
74 H ALA 13 HN ALA 13 9.686 -12.298 6.459
75 HA ALA 13 HA ALA 13 9.399 -9.402 6.080
76 HB1 ALA 13 HB1 ALA 13 10.390 -10.744 8.594
77 HB2 ALA 13 HB2 ALA 13 9.120 -9.530 8.435
78 HB3 ALA 13 HB3 ALA 13 10.807 -9.080 8.184
79 H ASP 14 HN ASP 14 10.529 -10.599 4.133
80 HA ASP 14 HA ASP 14 13.407 -10.917 4.630
81 HB2 ASP 14 HB2 ASP 14 12.016 -11.339 1.993
82 HB3 ASP 14 HB1 ASP 14 13.530 -12.040 2.564
83 H ASN 15 HN ASN 15 12.667 -8.335 4.981
84 HA ASN 15 HA ASN 15 13.875 -7.031 2.635
85 HB2 ASN 15 HB2 ASN 15 12.114 -5.694 2.215
86 HB3 ASN 15 HB1 ASN 15 11.172 -6.831 3.176
87 HD21 ASN 15 HD21 ASN 15 10.844 -6.287 5.500
88 HD22 ASN 15 HD22 ASN 15 10.978 -4.674 6.014
89 H GLN 16 HN GLN 16 14.172 -7.727 5.766
90 HA GLN 16 HA GLN 16 14.654 -5.304 7.096
91 HB2 GLN 16 HB2 GLN 16 15.968 -6.620 8.666
92 HB3 GLN 16 HB1 GLN 16 14.526 -7.526 8.206
93 HG2 GLN 16 HG2 GLN 16 16.320 -8.304 6.275
94 HG3 GLN 16 HG1 GLN 16 17.361 -8.125 7.687
95 HE21 GLN 16 HE21 GLN 16 14.054 -9.446 7.031
96 HE22 GLN 16 HE22 GLN 16 14.286 -10.852 7.954
97 H SER 17 HN SER 17 16.506 -7.014 4.711
98 HA SER 17 HA SER 17 18.642 -6.697 3.874
99 HB2 SER 17 HB2 SER 17 18.064 -4.954 2.564
100 HB3 SER 17 HB1 SER 17 17.130 -4.191 3.848
101 HG SER 17 HG SER 17 19.964 -4.231 3.798
102 H GLU 18 HN GLU 18 20.022 -7.447 5.468
103 HA GLU 18 HA GLU 18 20.760 -5.811 7.727
104 HB2 GLU 18 HB2 GLU 18 20.755 -8.426 7.477
105 HB3 GLU 18 HB1 GLU 18 22.370 -8.169 6.817
106 HG2 GLU 18 HG2 GLU 18 22.791 -6.714 8.905
107 HG3 GLU 18 HG1 GLU 18 21.340 -7.466 9.564
108 H CYS 19 HN CYS 19 21.690 -3.917 7.031
109 HA CYS 19 HA CYS 19 24.349 -4.194 5.799
110 HB2 CYS 19 HB2 CYS 19 22.051 -2.547 4.801
111 HB3 CYS 19 HB1 CYS 19 23.701 -1.963 4.579
112 HG CYS 19 HG CYS 19 22.468 -3.998 2.844
113 H GLU 20 HN GLU 20 25.661 -2.199 6.069
114 HA GLU 20 HA GLU 20 26.554 -0.517 7.355
115 HB2 GLU 20 HB2 GLU 20 23.904 -0.094 8.700
116 HB3 GLU 20 HB1 GLU 20 25.135 1.091 8.266
117 HG2 GLU 20 HG2 GLU 20 24.552 0.158 5.806
118 HG3 GLU 20 HG1 GLU 20 22.997 -0.119 6.589
119 H TYR 21 HN TYR 21 24.029 -1.947 9.443
120 HA TYR 21 HA TYR 21 25.650 -1.958 11.763
121 HB2 TYR 21 HB2 TYR 21 23.544 -3.988 11.681
122 HB3 TYR 21 HB1 TYR 21 23.752 -2.626 12.781
123 HD1 TYR 21 HD2 TYR 21 23.220 -0.263 11.847
124 HD2 TYR 21 HD1 TYR 21 21.911 -3.912 9.997
125 HE1 TYR 21 HE2 TYR 21 21.464 0.988 10.621
126 HE2 TYR 21 HE1 TYR 21 20.156 -2.662 8.771
127 HH TYR 21 HH TYR 21 19.022 -0.677 8.702
128 H THR 22 HN THR 22 26.021 -3.706 9.009
129 HA THR 22 HA THR 22 26.752 -6.241 10.251
130 HB THR 22 HB THR 22 27.614 -6.168 7.561
131 HG1 THR 22 HG1 THR 22 25.229 -4.774 8.087
132 HG21 THR 22 HG21 THR 22 26.636 -8.080 8.795
133 HG22 THR 22 HG22 THR 22 25.801 -7.794 7.269
134 HG23 THR 22 HG23 THR 22 25.070 -7.270 8.786
135 H ASP 23 HN ASP 23 28.291 -3.420 8.802
136 HA ASP 23 HA ASP 23 30.950 -4.576 9.106
137 HB2 ASP 23 HB2 ASP 23 31.712 -2.850 7.786
138 HB3 ASP 23 HB1 ASP 23 30.041 -2.936 7.233
139 H TRP 24 HN TRP 24 29.135 -3.940 11.428
140 HA TRP 24 HA TRP 24 29.875 -1.710 12.870
141 HB2 TRP 24 HB2 TRP 24 29.629 -3.390 14.901
142 HB3 TRP 24 HB1 TRP 24 28.233 -2.930 13.932
143 HD1 TRP 24 HD1 TRP 24 30.822 -5.338 12.516
144 HE1 TRP 24 HE1 TRP 24 29.743 -7.662 12.252
145 HE3 TRP 24 HE3 TRP 24 26.371 -4.518 14.884
146 HZ2 TRP 24 HZ2 TRP 24 27.312 -8.999 12.950
147 HZ3 TRP 24 HZ3 TRP 24 24.694 -6.333 15.068
148 HH2 TRP 24 HH2 TRP 24 25.159 -8.570 14.106
149 H LYS 25 HN LYS 25 31.102 -4.499 14.476
150 HA LYS 25 HA LYS 25 33.787 -3.290 14.467
151 HB2 LYS 25 HB2 LYS 25 34.174 -4.745 16.454
152 HB3 LYS 25 HB1 LYS 25 32.839 -3.614 16.676
153 HG2 LYS 25 HG2 LYS 25 31.815 -6.005 15.469
154 HG3 LYS 25 HG1 LYS 25 32.769 -6.452 16.884
155 HD2 LYS 25 HD2 LYS 25 31.504 -4.857 18.263
156 HD3 LYS 25 HD1 LYS 25 30.565 -4.368 16.851
157 HE2 LYS 25 HE2 LYS 25 29.443 -6.424 16.725
158 HE3 LYS 25 HE1 LYS 25 30.679 -7.264 17.662
159 HZ1 LYS 25 HZ1 LYS 25 28.334 -6.211 18.618
160 HZ2 LYS 25 HZ2 LYS 25 29.528 -5.120 19.136
161 HZ3 LYS 25 HZ3 LYS 25 29.642 -6.766 19.542
162 H SER 26 HN SER 26 34.041 -4.207 12.244
163 HA SER 26 HA SER 26 34.173 -7.026 11.846
164 HB2 SER 26 HB2 SER 26 33.955 -5.907 9.837
165 HB3 SER 26 HB1 SER 26 35.034 -4.603 10.325
166 HG SER 26 HG SER 26 35.665 -6.580 8.819
167 H SER 27 HN SER 27 36.755 -4.571 12.122
168 HA SER 27 HA SER 27 38.808 -6.564 12.405
169 HB2 SER 27 HB2 SER 27 39.717 -4.047 13.356
170 HB3 SER 27 HB1 SER 27 40.067 -4.814 11.809
171 HG SER 27 HG SER 27 38.398 -2.746 12.406
172 H GLY 28 HN GLY 28 36.450 -6.163 14.402
173 HA2 GLY 28 HA2 GLY 28 36.127 -6.520 16.652
174 HA3 GLY 28 HA1 GLY 28 37.790 -7.096 16.702
175 H ALA 29 HN ALA 29 37.817 -4.043 15.411
176 HA ALA 29 HA ALA 29 38.589 -2.027 16.199
177 HB1 ALA 29 HB1 ALA 29 36.261 -2.004 17.099
178 HB2 ALA 29 HB2 ALA 29 37.398 -1.095 18.093
179 HB3 ALA 29 HB3 ALA 29 36.874 -2.701 18.599
180 H LEU 30 HN LEU 30 40.744 -2.250 16.546
181 HA LEU 30 HA LEU 30 41.820 -3.718 18.772
182 HB2 LEU 30 HB2 LEU 30 43.007 -1.928 16.659
183 HB3 LEU 30 HB1 LEU 30 43.980 -2.549 17.994
184 HG LEU 30 HG LEU 30 42.289 -4.532 16.566
185 HD11 LEU 30 HD11 LEU 30 43.080 -3.391 14.625
186 HD12 LEU 30 HD12 LEU 30 44.169 -4.761 14.844
187 HD13 LEU 30 HD13 LEU 30 44.676 -3.145 15.333
188 HD21 LEU 30 HD21 LEU 30 43.903 -4.971 18.490
189 HD22 LEU 30 HD22 LEU 30 45.210 -4.604 17.363
190 HD23 LEU 30 HD23 LEU 30 44.142 -5.975 17.059
191 H ILE 31 HN ILE 31 42.758 -0.406 17.985
192 HA ILE 31 HA ILE 31 42.891 0.246 20.796
193 HB ILE 31 HB ILE 31 43.692 1.599 18.253
194 HG12 ILE 31 HG12 ILE 31 45.049 0.003 19.877
195 HG13 ILE 31 HG11 ILE 31 45.827 1.398 19.134
196 HG21 ILE 31 HG21 ILE 31 42.661 3.464 19.275
197 HG22 ILE 31 HG22 ILE 31 44.345 3.578 19.780
198 HG23 ILE 31 HG23 ILE 31 43.133 2.949 20.895
199 HD11 ILE 31 HD11 ILE 31 44.471 1.626 21.821
200 HD12 ILE 31 HD12 ILE 31 45.701 2.675 21.116
201 HD13 ILE 31 HD13 ILE 31 46.137 1.063 21.684
202 HA PRO 32 HA PRO 32 39.317 3.239 19.211
203 HB2 PRO 32 HB2 PRO 32 37.780 1.191 17.706
204 HB3 PRO 32 HB1 PRO 32 38.056 2.901 17.325
205 HG2 PRO 32 HG2 PRO 32 39.275 0.949 15.979
206 HG3 PRO 32 HG1 PRO 32 40.076 2.491 16.325
207 HD2 PRO 32 HD2 PRO 32 40.475 -0.175 17.626
208 HD3 PRO 32 HD1 PRO 32 41.663 1.100 17.277
209 H ALA 33 HN ALA 33 39.417 0.004 20.310
210 HA ALA 33 HA ALA 33 36.783 -0.051 21.497
211 HB1 ALA 33 HB1 ALA 33 38.783 -1.947 20.920
212 HB2 ALA 33 HB2 ALA 33 37.212 -2.245 21.665
213 HB3 ALA 33 HB3 ALA 33 38.623 -1.934 22.676
214 H ILE 34 HN ILE 34 40.042 0.783 22.488
215 HA ILE 34 HA ILE 34 39.316 0.999 25.294
216 HB ILE 34 HB ILE 34 41.849 1.764 23.824
217 HG12 ILE 34 HG12 ILE 34 41.662 -0.508 25.750
218 HG13 ILE 34 HG11 ILE 34 40.932 -0.740 24.161
219 HG21 ILE 34 HG21 ILE 34 40.956 1.969 26.666
220 HG22 ILE 34 HG22 ILE 34 42.050 3.010 25.755
221 HG23 ILE 34 HG23 ILE 34 42.619 1.458 26.369
222 HD11 ILE 34 HD11 ILE 34 43.707 0.399 24.381
223 HD12 ILE 34 HD12 ILE 34 42.971 -0.482 23.042
224 HD13 ILE 34 HD13 ILE 34 43.459 -1.343 24.501
225 H TYR 35 HN TYR 35 39.266 2.971 22.498
226 HA TYR 35 HA TYR 35 39.572 5.514 23.784
227 HB2 TYR 35 HB2 TYR 35 39.636 4.705 21.196
228 HB3 TYR 35 HB1 TYR 35 38.006 5.373 21.280
229 HD1 TYR 35 HD2 TYR 35 37.646 7.740 21.931
230 HD2 TYR 35 HD1 TYR 35 41.585 6.113 21.398
231 HE1 TYR 35 HE2 TYR 35 38.581 10.035 21.832
232 HE2 TYR 35 HE1 TYR 35 42.520 8.408 21.299
233 HH TYR 35 HH TYR 35 40.487 11.210 21.069
234 H MET 36 HN MET 36 36.862 3.409 23.007
235 HA MET 36 HA MET 36 34.868 5.367 23.753
236 HB2 MET 36 HB2 MET 36 34.727 2.419 23.101
237 HB3 MET 36 HB1 MET 36 33.315 3.382 23.539
238 HG2 MET 36 HG2 MET 36 34.926 4.708 21.506
239 HG3 MET 36 HG1 MET 36 34.395 3.111 20.977
240 HE1 MET 36 HE1 MET 36 33.732 5.938 19.802
241 HE2 MET 36 HE2 MET 36 33.509 6.764 21.342
242 HE3 MET 36 HE3 MET 36 32.162 6.641 20.214
243 H LEU 37 HN LEU 37 36.607 2.747 25.281
244 HA LEU 37 HA LEU 37 34.894 2.520 27.562
245 HB2 LEU 37 HB2 LEU 37 37.451 1.391 26.656
246 HB3 LEU 37 HB1 LEU 37 37.356 1.615 28.401
247 HG LEU 37 HG LEU 37 36.521 -0.627 27.611
248 HD11 LEU 37 HD11 LEU 37 35.316 -0.561 29.506
249 HD12 LEU 37 HD12 LEU 37 34.026 0.296 28.663
250 HD13 LEU 37 HD13 LEU 37 35.318 1.201 29.449
251 HD21 LEU 37 HD21 LEU 37 34.872 -0.826 26.056
252 HD22 LEU 37 HD22 LEU 37 35.324 0.821 25.613
253 HD23 LEU 37 HD23 LEU 37 33.967 0.542 26.704
254 H VAL 38 HN VAL 38 36.256 5.177 26.644
255 HA VAL 38 HA VAL 38 36.921 6.033 29.382
256 HB VAL 38 HB VAL 38 38.528 6.695 26.902
257 HG11 VAL 38 HG11 VAL 38 39.987 7.726 28.859
258 HG12 VAL 38 HG12 VAL 38 38.426 7.826 29.676
259 HG13 VAL 38 HG13 VAL 38 38.673 8.656 28.139
260 HG21 VAL 38 HG21 VAL 38 40.354 5.578 28.215
261 HG22 VAL 38 HG22 VAL 38 39.051 4.479 27.763
262 HG23 VAL 38 HG23 VAL 38 39.147 5.103 29.410
263 H PHE 39 HN PHE 39 35.433 6.580 26.348
264 HA PHE 39 HA PHE 39 35.008 9.427 26.773
265 HB2 PHE 39 HB2 PHE 39 35.277 8.206 24.497
266 HB3 PHE 39 HB1 PHE 39 33.586 7.758 24.716
267 HD1 PHE 39 HD2 PHE 39 31.914 9.661 25.261
268 HD2 PHE 39 HD1 PHE 39 35.838 10.326 23.646
269 HE1 PHE 39 HE2 PHE 39 31.215 11.912 24.488
270 HE2 PHE 39 HE1 PHE 39 35.139 12.577 22.873
271 HZ PHE 39 HZ PHE 39 32.827 13.370 23.295
272 H LEU 40 HN LEU 40 32.749 6.727 26.166
273 HA LEU 40 HA LEU 40 30.471 8.006 27.161
274 HB2 LEU 40 HB2 LEU 40 29.504 5.739 27.341
275 HB3 LEU 40 HB1 LEU 40 30.350 5.967 25.812
276 HG LEU 40 HG LEU 40 32.358 5.048 27.471
277 HD11 LEU 40 HD11 LEU 40 30.698 4.540 29.232
278 HD12 LEU 40 HD12 LEU 40 31.426 3.065 28.598
279 HD13 LEU 40 HD13 LEU 40 29.802 3.534 28.092
280 HD21 LEU 40 HD21 LEU 40 32.101 2.937 26.200
281 HD22 LEU 40 HD22 LEU 40 31.909 4.343 25.151
282 HD23 LEU 40 HD23 LEU 40 30.490 3.446 25.692
283 H LEU 41 HN LEU 41 33.192 6.860 28.825
284 HA LEU 41 HA LEU 41 31.868 6.236 31.315
285 HB2 LEU 41 HB2 LEU 41 34.440 5.837 30.219
286 HB3 LEU 41 HB1 LEU 41 34.659 6.863 31.638
287 HG LEU 41 HG LEU 41 33.105 4.258 31.591
288 HD11 LEU 41 HD11 LEU 41 34.953 3.236 32.629
289 HD12 LEU 41 HD12 LEU 41 35.679 4.782 33.067
290 HD13 LEU 41 HD13 LEU 41 35.701 4.242 31.389
291 HD21 LEU 41 HD21 LEU 41 33.834 5.057 34.207
292 HD22 LEU 41 HD22 LEU 41 32.211 5.017 33.517
293 HD23 LEU 41 HD23 LEU 41 33.173 6.492 33.423
294 H GLY 42 HN GLY 42 33.780 8.939 30.026
295 HA2 GLY 42 HA2 GLY 42 33.921 10.549 32.283
296 HA3 GLY 42 HA1 GLY 42 33.851 11.161 30.632
297 H THR 43 HN THR 43 31.256 10.066 30.023
298 HA THR 43 HA THR 43 29.319 10.948 31.918
299 HB THR 43 HB THR 43 30.202 13.155 31.210
300 HG1 THR 43 HG1 THR 43 28.143 13.381 31.697
301 HG21 THR 43 HG21 THR 43 30.344 11.934 28.706
302 HG22 THR 43 HG22 THR 43 30.616 13.644 29.049
303 HG23 THR 43 HG23 THR 43 29.019 13.088 28.549
304 H THR 44 HN THR 44 27.789 11.998 29.415
305 HA THR 44 HA THR 44 26.222 11.150 27.971
306 HB THR 44 HB THR 44 28.540 9.281 27.551
307 HG1 THR 44 HG1 THR 44 28.035 11.655 26.772
308 HG21 THR 44 HG21 THR 44 26.836 7.827 26.923
309 HG22 THR 44 HG22 THR 44 27.108 8.702 25.416
310 HG23 THR 44 HG23 THR 44 25.752 9.138 26.457
311 H GLY 45 HN GLY 45 27.640 8.075 29.057
312 HA2 GLY 45 HA2 GLY 45 25.050 6.917 29.503
313 HA3 GLY 45 HA1 GLY 45 26.605 6.164 29.849
314 H ASN 46 HN ASN 46 25.983 9.311 31.100
315 HA ASN 46 HA ASN 46 25.242 8.239 33.727
316 HB2 ASN 46 HB2 ASN 46 27.169 8.838 34.707
317 HB3 ASN 46 HB1 ASN 46 27.832 9.105 33.097
318 HD21 ASN 46 HD21 ASN 46 27.488 11.372 32.179
319 HD22 ASN 46 HD22 ASN 46 27.445 12.673 33.271
320 H GLY 47 HN GLY 47 23.469 9.217 34.342
321 HA2 GLY 47 HA2 GLY 47 22.673 11.523 35.079
322 HA3 GLY 47 HA1 GLY 47 22.903 11.957 33.388
323 H LEU 48 HN LEU 48 21.673 10.628 31.783
324 HA LEU 48 HA LEU 48 18.953 10.184 32.797
325 HB2 LEU 48 HB2 LEU 48 20.126 11.113 30.265
326 HB3 LEU 48 HB1 LEU 48 18.800 9.971 30.061
327 HG LEU 48 HG LEU 48 18.071 12.381 30.159
328 HD11 LEU 48 HD11 LEU 48 16.127 11.502 30.866
329 HD12 LEU 48 HD12 LEU 48 16.711 11.531 32.530
330 HD13 LEU 48 HD13 LEU 48 16.994 10.113 31.521
331 HD21 LEU 48 HD21 LEU 48 19.886 12.580 32.198
332 HD22 LEU 48 HD22 LEU 48 18.375 12.437 33.098
333 HD23 LEU 48 HD23 LEU 48 18.581 13.733 31.919
334 H VAL 49 HN VAL 49 21.466 8.616 30.843
335 HA VAL 49 HA VAL 49 20.157 6.282 30.131
336 HB VAL 49 HB VAL 49 23.050 6.544 30.989
337 HG11 VAL 49 HG11 VAL 49 23.228 4.667 29.217
338 HG12 VAL 49 HG12 VAL 49 21.489 4.480 29.437
339 HG13 VAL 49 HG13 VAL 49 22.581 4.233 30.799
340 HG21 VAL 49 HG21 VAL 49 21.526 7.378 28.574
341 HG22 VAL 49 HG22 VAL 49 23.073 6.581 28.282
342 HG23 VAL 49 HG23 VAL 49 23.008 8.048 29.257
343 H LEU 50 HN LEU 50 20.756 7.410 33.240
344 HA LEU 50 HA LEU 50 20.810 4.731 34.443
345 HB2 LEU 50 HB2 LEU 50 20.895 7.390 35.873
346 HB3 LEU 50 HB1 LEU 50 21.381 5.812 36.492
347 HG LEU 50 HG LEU 50 22.714 7.309 34.216
348 HD11 LEU 50 HD11 LEU 50 23.436 6.823 37.110
349 HD12 LEU 50 HD12 LEU 50 23.347 8.361 36.252
350 HD13 LEU 50 HD13 LEU 50 24.654 7.231 35.901
351 HD21 LEU 50 HD21 LEU 50 24.443 5.370 34.786
352 HD22 LEU 50 HD22 LEU 50 23.110 5.088 33.667
353 HD23 LEU 50 HD23 LEU 50 22.986 4.544 35.339
354 H TRP 51 HN TRP 51 18.852 7.683 34.355
355 HA TRP 51 HA TRP 51 16.865 6.911 36.177
356 HB2 TRP 51 HB2 TRP 51 16.189 8.987 35.680
357 HB3 TRP 51 HB1 TRP 51 17.293 9.033 34.306
358 HD1 TRP 51 HD1 TRP 51 16.319 7.912 31.976
359 HE1 TRP 51 HE1 TRP 51 13.918 7.959 31.038
360 HE3 TRP 51 HE3 TRP 51 13.734 9.066 36.226
361 HZ2 TRP 51 HZ2 TRP 51 11.254 8.424 31.968
362 HZ3 TRP 51 HZ3 TRP 51 11.268 9.304 36.172
363 HH2 TRP 51 HH2 TRP 51 10.026 8.986 34.050
364 H THR 52 HN THR 52 17.659 5.575 33.182
365 HA THR 52 HA THR 52 14.942 4.532 32.732
366 HB THR 52 HB THR 52 16.389 5.584 30.867
367 HG1 THR 52 HG1 THR 52 15.753 3.152 29.890
368 HG21 THR 52 HG21 THR 52 18.343 4.007 31.705
369 HG22 THR 52 HG22 THR 52 18.164 4.378 29.991
370 HG23 THR 52 HG23 THR 52 17.571 2.845 30.628
371 H VAL 53 HN VAL 53 18.020 3.662 33.965
372 HA VAL 53 HA VAL 53 17.872 0.844 33.475
373 HB VAL 53 HB VAL 53 19.505 2.534 35.370
374 HG11 VAL 53 HG11 VAL 53 19.415 0.522 36.561
375 HG12 VAL 53 HG12 VAL 53 20.819 0.269 35.526
376 HG13 VAL 53 HG13 VAL 53 19.267 -0.451 35.098
377 HG21 VAL 53 HG21 VAL 53 21.072 2.512 33.720
378 HG22 VAL 53 HG22 VAL 53 19.728 2.074 32.664
379 HG23 VAL 53 HG23 VAL 53 20.769 0.818 33.335
380 H PHE 54 HN PHE 54 16.387 2.971 35.714
381 HA PHE 54 HA PHE 54 15.724 0.756 37.541
382 HB2 PHE 54 HB2 PHE 54 15.558 2.281 39.218
383 HB3 PHE 54 HB1 PHE 54 16.567 3.257 38.148
384 HD1 PHE 54 HD2 PHE 54 15.604 5.052 36.789
385 HD2 PHE 54 HD1 PHE 54 13.183 2.759 39.493
386 HE1 PHE 54 HE2 PHE 54 13.808 6.756 36.623
387 HE2 PHE 54 HE1 PHE 54 11.386 4.460 39.328
388 HZ PHE 54 HZ PHE 54 11.699 6.459 37.893
389 H ARG 55 HN ARG 55 14.542 2.101 34.810
390 HA ARG 55 HA ARG 55 11.714 1.884 35.637
391 HB2 ARG 55 HB2 ARG 55 13.048 3.251 33.295
392 HB3 ARG 55 HB1 ARG 55 11.304 2.994 33.382
393 HG2 ARG 55 HG2 ARG 55 12.362 4.111 35.861
394 HG3 ARG 55 HG1 ARG 55 12.698 5.148 34.474
395 HD2 ARG 55 HD2 ARG 55 10.464 5.547 35.639
396 HD3 ARG 55 HD1 ARG 55 10.390 5.297 33.899
397 HE ARG 55 HE ARG 55 9.310 3.257 34.275
398 HH11 ARG 55 HH21 ARG 55 10.580 4.612 37.195
399 HH12 ARG 55 HH22 ARG 55 9.747 3.504 38.234
400 HH21 ARG 55 HH11 ARG 55 8.214 1.801 35.630
401 HH22 ARG 55 HH12 ARG 55 8.408 1.912 37.348
402 H LYS 56 HN LYS 56 13.937 0.971 33.005
403 HA LYS 56 HA LYS 56 12.280 -0.671 31.528
404 HB2 LYS 56 HB2 LYS 56 15.202 -1.170 32.148
405 HB3 LYS 56 HB1 LYS 56 14.302 -1.821 30.778
406 HG2 LYS 56 HG2 LYS 56 13.974 1.052 30.921
407 HG3 LYS 56 HG1 LYS 56 15.686 0.629 30.879
408 HD2 LYS 56 HD2 LYS 56 13.632 -0.492 28.956
409 HD3 LYS 56 HD1 LYS 56 14.649 0.904 28.600
410 HE2 LYS 56 HE2 LYS 56 16.385 -0.425 28.071
411 HE3 LYS 56 HE1 LYS 56 16.266 -1.264 29.618
412 HZ1 LYS 56 HZ1 LYS 56 15.179 -2.958 28.694
413 HZ2 LYS 56 HZ2 LYS 56 15.724 -2.352 27.204
414 HZ3 LYS 56 HZ3 LYS 56 14.174 -1.951 27.772
415 H LYS 57 HN LYS 57 14.532 -1.817 34.056
416 HA LYS 57 HA LYS 57 13.266 -4.389 34.205
417 HB2 LYS 57 HB2 LYS 57 15.226 -3.088 36.112
418 HB3 LYS 57 HB1 LYS 57 14.811 -4.801 36.055
419 HG2 LYS 57 HG2 LYS 57 16.269 -5.165 34.378
420 HG3 LYS 57 HG1 LYS 57 15.571 -3.855 33.425
421 HD2 LYS 57 HD2 LYS 57 17.948 -3.413 33.916
422 HD3 LYS 57 HD1 LYS 57 16.912 -2.214 34.690
423 HE2 LYS 57 HE2 LYS 57 17.367 -4.574 36.366
424 HE3 LYS 57 HE1 LYS 57 18.855 -3.716 35.971
425 HZ1 LYS 57 HZ1 LYS 57 18.216 -2.470 37.720
426 HZ2 LYS 57 HZ2 LYS 57 16.569 -2.846 37.546
427 HZ3 LYS 57 HZ3 LYS 57 17.285 -1.672 36.549
428 H GLY 58 HN GLY 58 11.356 -2.366 34.569
429 HA2 GLY 58 HA2 GLY 58 10.793 -2.213 37.430
430 HA3 GLY 58 HA1 GLY 58 9.880 -1.434 36.142
431 H HIS 59 HN HIS 59 10.429 -4.455 37.851
432 HA HIS 59 HA HIS 59 8.728 -6.184 36.520
433 HB2 HIS 59 HB2 HIS 59 9.239 -5.921 39.491
434 HB3 HIS 59 HB1 HIS 59 8.407 -7.286 38.747
435 HD2 HIS 59 HD2 HIS 59 10.342 -7.961 36.243
436 HE1 HIS 59 HE1 HIS 59 13.521 -7.932 39.022
437 HE2 HIS 59 HE2 HIS 59 12.814 -8.672 36.698
438 H HIS 60 HN HIS 60 7.950 -3.473 38.574
439 HA HIS 60 HA HIS 60 5.403 -3.928 39.429
440 HB2 HIS 60 HB2 HIS 60 6.679 -1.454 38.288
441 HB3 HIS 60 HB1 HIS 60 5.004 -1.438 38.840
442 HD2 HIS 60 HD2 HIS 60 5.012 -0.524 41.438
443 HE1 HIS 60 HE1 HIS 60 8.537 -2.437 42.753
444 HE2 HIS 60 HE2 HIS 60 6.606 -0.947 43.461
445 H HIS 61 HN HIS 61 5.742 -1.964 36.502
446 HA HIS 61 HA HIS 61 3.202 -2.595 35.491
447 HB2 HIS 61 HB2 HIS 61 5.699 -1.502 34.203
448 HB3 HIS 61 HB1 HIS 61 4.214 -1.757 33.286
449 HD2 HIS 61 HD2 HIS 61 3.439 -0.600 36.859
450 HE1 HIS 61 HE1 HIS 61 3.318 2.862 34.448
451 HE2 HIS 61 HE2 HIS 61 2.772 1.922 36.742
452 H HIS 62 HN HIS 62 5.535 -3.177 33.080
453 HA HIS 62 HA HIS 62 5.704 -4.966 31.620
454 HB2 HIS 62 HB2 HIS 62 7.286 -5.435 33.576
455 HB3 HIS 62 HB1 HIS 62 6.065 -6.574 34.146
456 HD2 HIS 62 HD2 HIS 62 7.434 -6.094 30.426
457 HE1 HIS 62 HE1 HIS 62 7.760 -10.158 31.525
458 HE2 HIS 62 HE2 HIS 62 8.109 -8.491 29.641
459 H HIS 63 HN HIS 63 3.590 -5.111 30.816
460 HA HIS 63 HA HIS 63 1.341 -6.177 31.968
461 HB2 HIS 63 HB2 HIS 63 0.749 -6.955 29.613
462 HB3 HIS 63 HB1 HIS 63 1.154 -5.246 29.787
463 HD2 HIS 63 HD2 HIS 63 3.272 -4.428 28.190
464 HE1 HIS 63 HE1 HIS 63 4.689 -8.256 27.113
465 HE2 HIS 63 HE2 HIS 63 4.975 -5.763 26.729
466 H HIS 64 HN HIS 64 0.610 -8.149 32.538
467 HA HIS 64 HA HIS 64 0.701 -10.370 33.132
468 HB2 HIS 64 HB2 HIS 64 1.400 -10.213 30.272
469 HB3 HIS 64 HB1 HIS 64 1.884 -11.709 31.072
470 HD2 HIS 64 HD2 HIS 64 -1.129 -10.584 29.252
471 HE1 HIS 64 HE1 HIS 64 -2.699 -12.988 32.346
472 HE2 HIS 64 HE2 HIS 64 -3.231 -11.858 30.134
Start of MODEL 7
1 H1 MET 1 HT1 MET 1 33.114 -8.271 65.912
2 H2 MET 1 HT2 MET 1 34.798 -8.082 66.028
3 H3 MET 1 HT3 MET 1 34.076 -8.381 64.520
4 HA MET 1 HA MET 1 33.156 -6.027 65.969
5 HB2 MET 1 HB2 MET 1 35.891 -6.293 64.695
6 HB3 MET 1 HB1 MET 1 35.110 -4.740 64.997
7 HG2 MET 1 HG2 MET 1 35.045 -6.488 67.338
8 HG3 MET 1 HG1 MET 1 36.690 -6.139 66.807
9 HE1 MET 1 HE1 MET 1 35.916 -5.498 69.438
10 HE2 MET 1 HE2 MET 1 36.028 -3.780 69.811
11 HE3 MET 1 HE3 MET 1 37.363 -4.584 68.991
12 H GLU 2 HN GLU 2 32.734 -4.314 64.343
13 HA GLU 2 HA GLU 2 32.447 -5.326 61.593
14 HB2 GLU 2 HB2 GLU 2 30.150 -4.435 61.485
15 HB3 GLU 2 HB1 GLU 2 30.290 -5.710 62.696
16 HG2 GLU 2 HG2 GLU 2 30.927 -3.416 64.119
17 HG3 GLU 2 HG1 GLU 2 29.636 -2.878 63.045
18 H GLU 3 HN GLU 3 34.100 -3.942 60.926
19 HA GLU 3 HA GLU 3 33.281 -1.145 60.652
20 HB2 GLU 3 HB2 GLU 3 35.408 -2.057 62.414
21 HB3 GLU 3 HB1 GLU 3 36.007 -0.942 61.186
22 HG2 GLU 3 HG2 GLU 3 34.286 0.691 61.786
23 HG3 GLU 3 HG1 GLU 3 33.605 -0.429 62.964
24 H GLY 4 HN GLY 4 33.123 -1.214 58.465
25 HA2 GLY 4 HA2 GLY 4 34.914 -0.669 56.656
26 HA3 GLY 4 HA1 GLY 4 35.346 -2.357 56.912
27 H GLY 5 HN GLY 5 32.969 -3.621 57.148
28 HA2 GLY 5 HA2 GLY 5 30.983 -4.215 56.068
29 HA3 GLY 5 HA1 GLY 5 31.177 -2.831 54.998
30 H ASP 6 HN ASP 6 30.417 -5.324 54.027
31 HA ASP 6 HA ASP 6 32.736 -5.965 52.329
32 HB2 ASP 6 HB2 ASP 6 31.060 -7.905 53.911
33 HB3 ASP 6 HB1 ASP 6 31.915 -8.404 52.452
34 H PHE 7 HN PHE 7 31.058 -4.311 51.275
35 HA PHE 7 HA PHE 7 28.930 -5.796 49.892
36 HB2 PHE 7 HB2 PHE 7 29.511 -2.864 50.268
37 HB3 PHE 7 HB1 PHE 7 28.364 -3.430 49.055
38 HD1 PHE 7 HD1 PHE 7 29.191 -3.736 52.693
39 HD2 PHE 7 HD2 PHE 7 26.151 -3.931 49.664
40 HE1 PHE 7 HE1 PHE 7 27.458 -3.989 54.449
41 HE2 PHE 7 HE2 PHE 7 24.418 -4.184 51.421
42 HZ PHE 7 HZ PHE 7 25.071 -4.214 53.813
43 H ASP 8 HN ASP 8 29.863 -6.906 48.241
44 HA ASP 8 HA ASP 8 31.181 -5.292 46.160
45 HB2 ASP 8 HB2 ASP 8 32.182 -8.023 46.973
46 HB3 ASP 8 HB1 ASP 8 32.927 -6.893 45.845
47 H ASN 9 HN ASN 9 28.564 -5.900 45.994
48 HA ASN 9 HA ASN 9 28.526 -7.920 43.853
49 HB2 ASN 9 HB2 ASN 9 26.375 -7.746 45.970
50 HB3 ASN 9 HB1 ASN 9 26.520 -8.943 44.684
51 HD21 ASN 9 HD21 ASN 9 27.599 -10.847 45.240
52 HD22 ASN 9 HD22 ASN 9 28.605 -11.026 46.595
53 H TYR 10 HN TYR 10 28.664 -5.158 43.519
54 HA TYR 10 HA TYR 10 26.262 -3.766 43.318
55 HB2 TYR 10 HB2 TYR 10 28.720 -3.633 41.557
56 HB3 TYR 10 HB1 TYR 10 27.406 -2.456 41.521
57 HD1 TYR 10 HD1 TYR 10 30.218 -3.795 43.485
58 HD2 TYR 10 HD2 TYR 10 27.021 -0.928 43.390
59 HE1 TYR 10 HE1 TYR 10 31.226 -2.606 45.413
60 HE2 TYR 10 HE2 TYR 10 28.029 0.260 45.319
61 HH TYR 10 HH TYR 10 31.187 -0.661 46.597
62 H TYR 11 HN TYR 11 24.600 -3.728 41.894
63 HA TYR 11 HA TYR 11 23.998 -5.966 40.327
64 HB2 TYR 11 HB2 TYR 11 22.101 -4.757 39.565
65 HB3 TYR 11 HB1 TYR 11 22.402 -4.176 41.203
66 HD1 TYR 11 HD2 TYR 11 23.732 -2.026 41.516
67 HD2 TYR 11 HD1 TYR 11 22.181 -3.279 37.711
68 HE1 TYR 11 HE2 TYR 11 23.982 0.285 40.653
69 HE2 TYR 11 HE1 TYR 11 22.432 -0.967 36.848
70 HH TYR 11 HH TYR 11 23.713 1.042 37.322
71 H GLY 12 HN GLY 12 23.408 -5.697 37.897
72 HA2 GLY 12 HA2 GLY 12 24.284 -4.247 35.934
73 HA3 GLY 12 HA1 GLY 12 25.852 -4.776 36.536
74 H ALA 13 HN ALA 13 23.566 -5.406 34.270
75 HA ALA 13 HA ALA 13 23.894 -8.321 34.283
76 HB1 ALA 13 HB1 ALA 13 22.160 -8.385 32.652
77 HB2 ALA 13 HB2 ALA 13 22.331 -6.665 32.299
78 HB3 ALA 13 HB3 ALA 13 21.658 -7.187 33.844
79 H ASP 14 HN ASP 14 26.283 -7.034 33.866
80 HA ASP 14 HA ASP 14 26.759 -6.921 30.984
81 HB2 ASP 14 HB2 ASP 14 29.061 -6.263 31.662
82 HB3 ASP 14 HB1 ASP 14 27.820 -5.209 32.337
83 H ASN 15 HN ASN 15 26.191 -9.251 30.787
84 HA ASN 15 HA ASN 15 28.617 -10.840 30.825
85 HB2 ASN 15 HB2 ASN 15 26.341 -11.344 32.689
86 HB3 ASN 15 HB1 ASN 15 27.137 -12.734 31.955
87 HD21 ASN 15 HD21 ASN 15 29.804 -11.999 31.889
88 HD22 ASN 15 HD22 ASN 15 30.370 -11.685 33.459
89 H GLN 16 HN GLN 16 25.190 -11.781 30.796
90 HA GLN 16 HA GLN 16 25.411 -13.453 28.552
91 HB2 GLN 16 HB2 GLN 16 23.066 -13.657 28.644
92 HB3 GLN 16 HB1 GLN 16 23.529 -13.320 30.311
93 HG2 GLN 16 HG2 GLN 16 22.286 -11.454 28.294
94 HG3 GLN 16 HG1 GLN 16 21.729 -11.843 29.920
95 HE21 GLN 16 HE21 GLN 16 23.065 -9.344 28.256
96 HE22 GLN 16 HE22 GLN 16 23.978 -8.621 29.490
97 H SER 17 HN SER 17 25.766 -10.176 28.643
98 HA SER 17 HA SER 17 24.439 -9.593 26.111
99 HB2 SER 17 HB2 SER 17 25.513 -8.051 28.334
100 HB3 SER 17 HB1 SER 17 26.025 -7.409 26.776
101 HG SER 17 HG SER 17 23.853 -6.802 27.771
102 H GLU 18 HN GLU 18 25.393 -9.871 24.208
103 HA GLU 18 HA GLU 18 28.167 -10.618 24.021
104 HB2 GLU 18 HB2 GLU 18 26.371 -11.558 22.555
105 HB3 GLU 18 HB1 GLU 18 26.232 -9.977 21.786
106 HG2 GLU 18 HG2 GLU 18 27.930 -10.529 20.422
107 HG3 GLU 18 HG1 GLU 18 28.994 -10.610 21.825
108 H CYS 19 HN CYS 19 28.356 -8.254 25.177
109 HA CYS 19 HA CYS 19 29.044 -6.049 24.989
110 HB2 CYS 19 HB2 CYS 19 30.948 -7.640 24.113
111 HB3 CYS 19 HB1 CYS 19 30.574 -6.896 22.558
112 HG CYS 19 HG CYS 19 32.213 -5.587 24.649
113 H GLU 20 HN GLU 20 30.037 -5.135 22.231
114 HA GLU 20 HA GLU 20 27.445 -4.095 21.368
115 HB2 GLU 20 HB2 GLU 20 30.274 -3.288 20.662
116 HB3 GLU 20 HB1 GLU 20 28.826 -2.521 20.008
117 HG2 GLU 20 HG2 GLU 20 29.303 -2.774 22.981
118 HG3 GLU 20 HG1 GLU 20 29.887 -1.393 22.053
119 H TYR 21 HN TYR 21 29.177 -6.745 20.721
120 HA TYR 21 HA TYR 21 29.581 -8.071 18.868
121 HB2 TYR 21 HB2 TYR 21 27.469 -8.501 17.621
122 HB3 TYR 21 HB1 TYR 21 27.264 -8.532 19.373
123 HD1 TYR 21 HD1 TYR 21 26.596 -6.631 16.282
124 HD2 TYR 21 HD2 TYR 21 26.059 -6.769 20.542
125 HE1 TYR 21 HE1 TYR 21 24.888 -4.842 16.124
126 HE2 TYR 21 HE2 TYR 21 24.350 -4.979 20.383
127 HH TYR 21 HH TYR 21 22.693 -4.205 18.260
128 H THR 22 HN THR 22 30.211 -5.143 18.540
129 HA THR 22 HA THR 22 29.849 -4.869 15.626
130 HB THR 22 HB THR 22 30.559 -2.878 17.785
131 HG1 THR 22 HG1 THR 22 28.493 -2.632 17.674
132 HG21 THR 22 HG21 THR 22 30.749 -2.702 14.784
133 HG22 THR 22 HG22 THR 22 31.917 -2.177 15.997
134 HG23 THR 22 HG23 THR 22 30.429 -1.264 15.754
135 H ASP 23 HN ASP 23 32.185 -5.460 18.100
136 HA ASP 23 HA ASP 23 34.413 -4.989 16.236
137 HB2 ASP 23 HB2 ASP 23 35.840 -4.924 18.107
138 HB3 ASP 23 HB1 ASP 23 34.386 -4.085 18.643
139 H TRP 24 HN TRP 24 32.377 -7.425 17.155
140 HA TRP 24 HA TRP 24 33.900 -9.668 17.652
141 HB2 TRP 24 HB2 TRP 24 32.074 -10.965 16.731
142 HB3 TRP 24 HB1 TRP 24 31.406 -9.581 17.595
143 HD1 TRP 24 HD1 TRP 24 31.227 -7.298 15.783
144 HE1 TRP 24 HE1 TRP 24 30.047 -7.320 13.494
145 HE3 TRP 24 HE3 TRP 24 31.245 -12.315 14.835
146 HZ2 TRP 24 HZ2 TRP 24 29.217 -9.217 11.519
147 HZ3 TRP 24 HZ3 TRP 24 30.255 -13.202 12.744
148 HH2 TRP 24 HH2 TRP 24 29.241 -11.661 11.086
149 H LYS 25 HN LYS 25 33.378 -8.016 14.579
150 HA LYS 25 HA LYS 25 35.293 -9.892 13.316
151 HB2 LYS 25 HB2 LYS 25 34.147 -9.599 11.220
152 HB3 LYS 25 HB1 LYS 25 32.949 -10.043 12.435
153 HG2 LYS 25 HG2 LYS 25 31.811 -8.217 11.721
154 HG3 LYS 25 HG1 LYS 25 32.997 -7.291 12.639
155 HD2 LYS 25 HD2 LYS 25 33.043 -6.329 10.473
156 HD3 LYS 25 HD1 LYS 25 34.452 -7.388 10.510
157 HE2 LYS 25 HE2 LYS 25 32.475 -9.100 9.653
158 HE3 LYS 25 HE1 LYS 25 32.005 -7.583 8.889
159 HZ1 LYS 25 HZ1 LYS 25 34.777 -8.614 8.789
160 HZ2 LYS 25 HZ2 LYS 25 34.070 -7.405 7.826
161 HZ3 LYS 25 HZ3 LYS 25 33.616 -9.030 7.624
162 H SER 26 HN SER 26 34.785 -6.739 14.341
163 HA SER 26 HA SER 26 36.349 -5.466 12.244
164 HB2 SER 26 HB2 SER 26 34.407 -4.539 13.935
165 HB3 SER 26 HB1 SER 26 35.872 -3.961 14.724
166 HG SER 26 HG SER 26 34.682 -2.912 12.660
167 H SER 27 HN SER 27 37.445 -7.616 14.053
168 HA SER 27 HA SER 27 39.598 -8.067 14.776
169 HB2 SER 27 HB2 SER 27 40.067 -5.870 13.324
170 HB3 SER 27 HB1 SER 27 40.373 -5.197 14.924
171 HG SER 27 HG SER 27 41.945 -6.709 15.250
172 H GLY 28 HN GLY 28 37.393 -7.709 16.496
173 HA2 GLY 28 HA2 GLY 28 36.819 -7.258 18.692
174 HA3 GLY 28 HA1 GLY 28 38.475 -7.771 19.003
175 H ALA 29 HN ALA 29 38.038 -5.005 17.007
176 HA ALA 29 HA ALA 29 38.743 -2.827 17.285
177 HB1 ALA 29 HB1 ALA 29 36.618 -2.476 18.265
178 HB2 ALA 29 HB2 ALA 29 37.762 -1.751 19.394
179 HB3 ALA 29 HB3 ALA 29 37.066 -3.334 19.739
180 H LEU 30 HN LEU 30 40.941 -2.846 17.440
181 HA LEU 30 HA LEU 30 42.342 -3.714 19.786
182 HB2 LEU 30 HB2 LEU 30 43.210 -2.188 17.326
183 HB3 LEU 30 HB1 LEU 30 44.318 -2.659 18.615
184 HG LEU 30 HG LEU 30 42.611 -4.866 17.722
185 HD11 LEU 30 HD11 LEU 30 44.000 -5.151 15.594
186 HD12 LEU 30 HD12 LEU 30 44.440 -3.453 15.770
187 HD13 LEU 30 HD13 LEU 30 42.752 -3.906 15.538
188 HD21 LEU 30 HD21 LEU 30 45.627 -4.591 17.720
189 HD22 LEU 30 HD22 LEU 30 44.680 -6.073 17.852
190 HD23 LEU 30 HD23 LEU 30 44.700 -4.917 19.184
191 H ILE 31 HN ILE 31 42.815 -0.546 18.288
192 HA ILE 31 HA ILE 31 43.154 0.658 20.889
193 HB ILE 31 HB ILE 31 43.512 1.555 18.062
194 HG12 ILE 31 HG12 ILE 31 45.218 0.464 19.771
195 HG13 ILE 31 HG11 ILE 31 45.735 1.757 18.690
196 HG21 ILE 31 HG21 ILE 31 42.365 3.471 18.839
197 HG22 ILE 31 HG22 ILE 31 44.065 3.856 19.099
198 HG23 ILE 31 HG23 ILE 31 43.062 3.341 20.455
199 HD11 ILE 31 HD11 ILE 31 45.654 3.382 20.401
200 HD12 ILE 31 HD12 ILE 31 46.342 1.969 21.200
201 HD13 ILE 31 HD13 ILE 31 44.642 2.373 21.436
202 HA PRO 32 HA PRO 32 39.090 2.900 19.256
203 HB2 PRO 32 HB2 PRO 32 37.666 0.461 18.342
204 HB3 PRO 32 HB1 PRO 32 37.698 2.084 17.628
205 HG2 PRO 32 HG2 PRO 32 38.996 0.032 16.519
206 HG3 PRO 32 HG1 PRO 32 39.635 1.685 16.473
207 HD2 PRO 32 HD2 PRO 32 40.490 -0.620 18.181
208 HD3 PRO 32 HD1 PRO 32 41.469 0.674 17.460
209 H ALA 33 HN ALA 33 39.182 -0.420 20.476
210 HA ALA 33 HA ALA 33 36.894 -0.428 22.067
211 HB1 ALA 33 HB1 ALA 33 39.461 -1.907 22.033
212 HB2 ALA 33 HB2 ALA 33 37.806 -2.515 22.080
213 HB3 ALA 33 HB3 ALA 33 38.573 -1.933 23.557
214 H ILE 34 HN ILE 34 39.997 1.092 22.576
215 HA ILE 34 HA ILE 34 39.430 1.702 25.367
216 HB ILE 34 HB ILE 34 41.688 2.794 23.686
217 HG12 ILE 34 HG12 ILE 34 41.426 0.135 25.117
218 HG13 ILE 34 HG11 ILE 34 41.797 0.403 23.413
219 HG21 ILE 34 HG21 ILE 34 42.750 3.191 25.759
220 HG22 ILE 34 HG22 ILE 34 41.664 2.103 26.623
221 HG23 ILE 34 HG23 ILE 34 41.076 3.662 26.047
222 HD11 ILE 34 HD11 ILE 34 43.909 -0.034 24.357
223 HD12 ILE 34 HD12 ILE 34 43.548 0.888 25.817
224 HD13 ILE 34 HD13 ILE 34 43.851 1.728 24.296
225 H TYR 35 HN TYR 35 39.664 3.405 22.265
226 HA TYR 35 HA TYR 35 39.366 6.026 23.075
227 HB2 TYR 35 HB2 TYR 35 39.429 4.787 20.667
228 HB3 TYR 35 HB1 TYR 35 37.726 5.241 20.742
229 HD1 TYR 35 HD2 TYR 35 37.072 7.626 21.038
230 HD2 TYR 35 HD1 TYR 35 41.161 6.446 20.459
231 HE1 TYR 35 HE2 TYR 35 37.670 9.969 20.486
232 HE2 TYR 35 HE1 TYR 35 41.759 8.789 19.907
233 HH TYR 35 HH TYR 35 39.902 11.376 20.625
234 H MET 36 HN MET 36 36.966 3.478 22.944
235 HA MET 36 HA MET 36 34.784 5.323 23.536
236 HB2 MET 36 HB2 MET 36 34.961 2.364 23.011
237 HB3 MET 36 HB1 MET 36 33.489 3.094 23.654
238 HG2 MET 36 HG2 MET 36 33.139 4.393 21.735
239 HG3 MET 36 HG1 MET 36 34.825 4.274 21.232
240 HE1 MET 36 HE1 MET 36 34.008 2.246 18.291
241 HE2 MET 36 HE2 MET 36 35.222 3.200 19.142
242 HE3 MET 36 HE3 MET 36 33.624 3.881 18.849
243 H LEU 37 HN LEU 37 36.741 2.867 25.136
244 HA LEU 37 HA LEU 37 35.280 2.548 27.490
245 HB2 LEU 37 HB2 LEU 37 37.402 1.308 26.721
246 HB3 LEU 37 HB1 LEU 37 38.295 2.658 27.413
247 HG LEU 37 HG LEU 37 37.105 2.269 29.588
248 HD11 LEU 37 HD11 LEU 37 35.807 0.165 27.930
249 HD12 LEU 37 HD12 LEU 37 35.172 1.070 29.302
250 HD13 LEU 37 HD13 LEU 37 36.253 -0.296 29.572
251 HD21 LEU 37 HD21 LEU 37 39.078 1.229 29.938
252 HD22 LEU 37 HD22 LEU 37 39.099 0.571 28.303
253 HD23 LEU 37 HD23 LEU 37 38.236 -0.280 29.584
254 H VAL 38 HN VAL 38 36.920 5.284 26.292
255 HA VAL 38 HA VAL 38 36.788 6.599 28.941
256 HB VAL 38 HB VAL 38 38.457 7.601 26.651
257 HG11 VAL 38 HG11 VAL 38 39.282 7.770 29.495
258 HG12 VAL 38 HG12 VAL 38 37.841 8.688 29.062
259 HG13 VAL 38 HG13 VAL 38 39.364 8.991 28.226
260 HG21 VAL 38 HG21 VAL 38 39.566 5.604 26.776
261 HG22 VAL 38 HG22 VAL 38 38.896 5.217 28.362
262 HG23 VAL 38 HG23 VAL 38 40.265 6.322 28.228
263 H PHE 39 HN PHE 39 34.792 6.221 26.649
264 HA PHE 39 HA PHE 39 34.110 9.083 26.331
265 HB2 PHE 39 HB2 PHE 39 34.863 7.763 24.226
266 HB3 PHE 39 HB1 PHE 39 33.287 6.983 24.345
267 HD1 PHE 39 HD1 PHE 39 34.942 10.327 24.179
268 HD2 PHE 39 HD2 PHE 39 31.335 8.073 23.581
269 HE1 PHE 39 HE1 PHE 39 33.881 12.305 23.126
270 HE2 PHE 39 HE2 PHE 39 30.273 10.051 22.527
271 HZ PHE 39 HZ PHE 39 31.547 12.167 22.300
272 H LEU 40 HN LEU 40 33.317 6.441 27.990
273 HA LEU 40 HA LEU 40 30.477 7.199 28.089
274 HB2 LEU 40 HB2 LEU 40 29.831 4.812 28.237
275 HB3 LEU 40 HB1 LEU 40 30.544 5.218 26.678
276 HG LEU 40 HG LEU 40 32.761 4.503 28.154
277 HD11 LEU 40 HD11 LEU 40 31.054 3.746 29.932
278 HD12 LEU 40 HD12 LEU 40 32.274 2.570 29.444
279 HD13 LEU 40 HD13 LEU 40 30.635 2.458 28.804
280 HD21 LEU 40 HD21 LEU 40 32.675 2.414 26.827
281 HD22 LEU 40 HD22 LEU 40 32.225 3.810 25.847
282 HD23 LEU 40 HD23 LEU 40 30.977 2.724 26.459
283 H LEU 41 HN LEU 41 33.299 5.787 29.611
284 HA LEU 41 HA LEU 41 32.438 4.890 32.026
285 HB2 LEU 41 HB2 LEU 41 34.868 6.192 31.048
286 HB3 LEU 41 HB1 LEU 41 34.587 6.483 32.763
287 HG LEU 41 HG LEU 41 35.932 4.416 32.307
288 HD11 LEU 41 HD11 LEU 41 35.092 3.732 34.275
289 HD12 LEU 41 HD12 LEU 41 33.682 3.069 33.449
290 HD13 LEU 41 HD13 LEU 41 33.667 4.738 34.016
291 HD21 LEU 41 HD21 LEU 41 34.094 4.012 30.282
292 HD22 LEU 41 HD22 LEU 41 33.574 2.857 31.508
293 HD23 LEU 41 HD23 LEU 41 35.222 2.799 30.886
294 H GLY 42 HN GLY 42 32.642 8.261 31.001
295 HA2 GLY 42 HA2 GLY 42 30.558 9.184 32.598
296 HA3 GLY 42 HA1 GLY 42 32.037 9.421 33.525
297 H THR 43 HN THR 43 30.967 9.863 30.142
298 HA THR 43 HA THR 43 32.011 12.623 30.257
299 HB THR 43 HB THR 43 33.430 12.334 28.521
300 HG1 THR 43 HG1 THR 43 32.288 10.296 27.150
301 HG21 THR 43 HG21 THR 43 33.914 10.412 30.070
302 HG22 THR 43 HG22 THR 43 34.416 10.130 28.404
303 HG23 THR 43 HG23 THR 43 32.938 9.388 29.018
304 H THR 44 HN THR 44 30.307 10.419 28.013
305 HA THR 44 HA THR 44 28.663 12.571 27.015
306 HB THR 44 HB THR 44 27.570 10.076 26.253
307 HG1 THR 44 HG1 THR 44 29.664 9.276 25.360
308 HG21 THR 44 HG21 THR 44 27.774 12.126 24.881
309 HG22 THR 44 HG22 THR 44 28.450 10.722 24.056
310 HG23 THR 44 HG23 THR 44 29.522 11.897 24.818
311 H GLY 45 HN GLY 45 28.410 10.092 29.443
312 HA2 GLY 45 HA2 GLY 45 26.667 10.860 31.174
313 HA3 GLY 45 HA1 GLY 45 25.545 10.686 29.828
314 H ASN 46 HN ASN 46 26.556 8.388 28.624
315 HA ASN 46 HA ASN 46 26.046 6.131 28.729
316 HB2 ASN 46 HB2 ASN 46 27.529 4.919 30.266
317 HB3 ASN 46 HB1 ASN 46 28.394 6.220 29.449
318 HD21 ASN 46 HD21 ASN 46 28.766 8.245 30.733
319 HD22 ASN 46 HD22 ASN 46 28.815 8.156 32.427
320 H GLY 47 HN GLY 47 23.844 6.112 29.206
321 HA2 GLY 47 HA2 GLY 47 23.034 4.761 31.521
322 HA3 GLY 47 HA1 GLY 47 22.726 6.476 31.775
323 H LEU 48 HN LEU 48 21.747 7.501 29.615
324 HA LEU 48 HA LEU 48 19.859 5.744 28.279
325 HB2 LEU 48 HB2 LEU 48 18.897 6.541 30.579
326 HB3 LEU 48 HB1 LEU 48 18.669 8.078 29.742
327 HG LEU 48 HG LEU 48 17.654 6.440 27.870
328 HD11 LEU 48 HD11 LEU 48 16.501 4.570 28.810
329 HD12 LEU 48 HD12 LEU 48 16.865 5.086 30.458
330 HD13 LEU 48 HD13 LEU 48 18.152 4.470 29.422
331 HD21 LEU 48 HD21 LEU 48 16.494 8.353 28.898
332 HD22 LEU 48 HD22 LEU 48 16.192 7.402 30.352
333 HD23 LEU 48 HD23 LEU 48 15.422 6.954 28.829
334 H VAL 49 HN VAL 49 22.083 7.864 27.891
335 HA VAL 49 HA VAL 49 20.721 9.911 26.341
336 HB VAL 49 HB VAL 49 23.693 9.401 26.428
337 HG11 VAL 49 HG11 VAL 49 22.241 11.166 24.959
338 HG12 VAL 49 HG12 VAL 49 23.878 11.494 25.526
339 HG13 VAL 49 HG13 VAL 49 22.492 12.113 26.425
340 HG21 VAL 49 HG21 VAL 49 23.422 11.276 28.296
341 HG22 VAL 49 HG22 VAL 49 23.316 9.567 28.712
342 HG23 VAL 49 HG23 VAL 49 21.844 10.516 28.506
343 H LEU 50 HN LEU 50 22.442 6.914 25.809
344 HA LEU 50 HA LEU 50 22.782 7.269 22.978
345 HB2 LEU 50 HB2 LEU 50 22.716 4.587 24.327
346 HB3 LEU 50 HB1 LEU 50 23.711 5.127 22.975
347 HG LEU 50 HG LEU 50 23.976 5.957 25.879
348 HD11 LEU 50 HD11 LEU 50 25.718 4.396 23.953
349 HD12 LEU 50 HD12 LEU 50 24.998 3.817 25.454
350 HD13 LEU 50 HD13 LEU 50 26.296 5.011 25.501
351 HD21 LEU 50 HD21 LEU 50 25.097 7.093 23.333
352 HD22 LEU 50 HD22 LEU 50 26.077 7.128 24.798
353 HD23 LEU 50 HD23 LEU 50 24.511 7.939 24.765
354 H TRP 51 HN TRP 51 20.098 6.759 24.871
355 HA TRP 51 HA TRP 51 18.663 4.886 23.243
356 HB2 TRP 51 HB2 TRP 51 17.690 4.926 25.308
357 HB3 TRP 51 HB1 TRP 51 18.083 6.624 25.575
358 HD1 TRP 51 HD1 TRP 51 16.481 8.453 24.406
359 HE1 TRP 51 HE1 TRP 51 13.996 8.318 23.727
360 HE3 TRP 51 HE3 TRP 51 15.829 3.389 24.450
361 HZ2 TRP 51 HZ2 TRP 51 11.998 6.324 23.263
362 HZ3 TRP 51 HZ3 TRP 51 13.628 2.400 23.887
363 HH2 TRP 51 HH2 TRP 51 11.713 3.859 23.295
364 H THR 52 HN THR 52 18.670 8.426 23.560
365 HA THR 52 HA THR 52 16.654 8.921 21.635
366 HB THR 52 HB THR 52 18.846 10.570 22.860
367 HG1 THR 52 HG1 THR 52 16.896 10.196 23.979
368 HG21 THR 52 HG21 THR 52 18.863 11.524 20.714
369 HG22 THR 52 HG22 THR 52 17.667 12.498 21.570
370 HG23 THR 52 HG23 THR 52 17.142 11.226 20.468
371 H VAL 53 HN VAL 53 20.178 8.664 21.409
372 HA VAL 53 HA VAL 53 20.328 9.396 18.651
373 HB VAL 53 HB VAL 53 22.306 7.738 20.227
374 HG11 VAL 53 HG11 VAL 53 23.904 8.882 18.648
375 HG12 VAL 53 HG12 VAL 53 22.506 9.518 17.782
376 HG13 VAL 53 HG13 VAL 53 22.781 7.777 17.855
377 HG21 VAL 53 HG21 VAL 53 22.588 9.552 21.538
378 HG22 VAL 53 HG22 VAL 53 21.432 10.481 20.583
379 HG23 VAL 53 HG23 VAL 53 23.129 10.429 20.107
380 H PHE 54 HN PHE 54 20.002 6.350 20.396
381 HA PHE 54 HA PHE 54 20.304 4.725 18.029
382 HB2 PHE 54 HB2 PHE 54 20.962 3.677 20.049
383 HB3 PHE 54 HB1 PHE 54 19.477 4.153 20.873
384 HD1 PHE 54 HD1 PHE 54 20.658 2.178 17.913
385 HD2 PHE 54 HD2 PHE 54 17.688 2.646 20.982
386 HE1 PHE 54 HE1 PHE 54 19.579 0.063 17.194
387 HE2 PHE 54 HE2 PHE 54 16.611 0.532 20.262
388 HZ PHE 54 HZ PHE 54 17.556 -0.759 18.367
389 H ARG 55 HN ARG 55 17.851 6.657 19.232
390 HA ARG 55 HA ARG 55 15.632 4.986 18.372
391 HB2 ARG 55 HB2 ARG 55 15.969 7.306 20.028
392 HB3 ARG 55 HB1 ARG 55 14.782 7.658 18.771
393 HG2 ARG 55 HG2 ARG 55 14.724 5.186 20.527
394 HG3 ARG 55 HG1 ARG 55 13.767 6.637 20.823
395 HD2 ARG 55 HD2 ARG 55 12.219 5.953 19.348
396 HD3 ARG 55 HD1 ARG 55 13.439 5.863 18.081
397 HE ARG 55 HE ARG 55 13.603 3.558 18.453
398 HH11 ARG 55 HH21 ARG 55 11.724 5.139 20.891
399 HH12 ARG 55 HH22 ARG 55 11.120 3.666 21.576
400 HH21 ARG 55 HH11 ARG 55 12.815 1.624 19.344
401 HH22 ARG 55 HH12 ARG 55 11.738 1.677 20.700
402 H LYS 56 HN LYS 56 16.683 8.288 17.500
403 HA LYS 56 HA LYS 56 15.196 8.569 15.182
404 HB2 LYS 56 HB2 LYS 56 16.680 10.339 14.577
405 HB3 LYS 56 HB1 LYS 56 16.610 10.330 16.339
406 HG2 LYS 56 HG2 LYS 56 18.673 8.750 16.187
407 HG3 LYS 56 HG1 LYS 56 18.823 9.364 14.540
408 HD2 LYS 56 HD2 LYS 56 18.776 11.699 15.487
409 HD3 LYS 56 HD1 LYS 56 18.850 10.986 17.099
410 HE2 LYS 56 HE2 LYS 56 21.103 11.150 16.808
411 HE3 LYS 56 HE1 LYS 56 20.900 9.676 15.862
412 HZ1 LYS 56 HZ1 LYS 56 20.280 11.879 14.244
413 HZ2 LYS 56 HZ2 LYS 56 21.551 10.765 14.068
414 HZ3 LYS 56 HZ3 LYS 56 21.775 12.177 14.985
415 H LYS 57 HN LYS 57 18.365 7.055 15.621
416 HA LYS 57 HA LYS 57 18.752 6.541 12.819
417 HB2 LYS 57 HB2 LYS 57 20.150 5.777 15.353
418 HB3 LYS 57 HB1 LYS 57 20.506 4.881 13.875
419 HG2 LYS 57 HG2 LYS 57 21.385 6.748 12.792
420 HG3 LYS 57 HG1 LYS 57 20.491 7.882 13.805
421 HD2 LYS 57 HD2 LYS 57 21.925 7.437 15.694
422 HD3 LYS 57 HD1 LYS 57 22.715 6.108 14.845
423 HE2 LYS 57 HE2 LYS 57 22.792 8.623 13.343
424 HE3 LYS 57 HE1 LYS 57 23.608 8.730 14.903
425 HZ1 LYS 57 HZ1 LYS 57 24.331 6.295 13.832
426 HZ2 LYS 57 HZ2 LYS 57 25.304 7.680 13.975
427 HZ3 LYS 57 HZ3 LYS 57 24.435 7.394 12.544
428 H GLY 58 HN GLY 58 16.471 5.612 12.682
429 HA2 GLY 58 HA2 GLY 58 15.955 3.014 13.757
430 HA3 GLY 58 HA1 GLY 58 15.042 3.810 12.480
431 H HIS 59 HN HIS 59 15.032 2.681 10.652
432 HA HIS 59 HA HIS 59 17.284 0.886 10.056
433 HB2 HIS 59 HB2 HIS 59 14.618 1.057 8.640
434 HB3 HIS 59 HB1 HIS 59 15.801 -0.248 8.551
435 HD2 HIS 59 HD2 HIS 59 16.138 -0.069 12.042
436 HE1 HIS 59 HE1 HIS 59 12.250 -1.696 11.800
437 HE2 HIS 59 HE2 HIS 59 14.240 -1.315 13.332
438 H HIS 60 HN HIS 60 15.072 2.665 7.916
439 HA HIS 60 HA HIS 60 16.926 3.041 5.855
440 HB2 HIS 60 HB2 HIS 60 14.343 4.355 6.611
441 HB3 HIS 60 HB1 HIS 60 15.321 5.057 5.322
442 HD2 HIS 60 HD2 HIS 60 15.488 3.483 2.958
443 HE1 HIS 60 HE1 HIS 60 12.801 0.487 4.234
444 HE2 HIS 60 HE2 HIS 60 14.103 1.386 2.248
445 H HIS 61 HN HIS 61 17.241 5.535 5.105
446 HA HIS 61 HA HIS 61 18.883 6.715 7.246
447 HB2 HIS 61 HB2 HIS 61 18.949 6.913 4.239
448 HB3 HIS 61 HB1 HIS 61 19.823 8.054 5.262
449 HD2 HIS 61 HD2 HIS 61 19.674 4.059 5.122
450 HE1 HIS 61 HE1 HIS 61 23.622 5.296 5.961
451 HE2 HIS 61 HE2 HIS 61 22.125 3.282 5.576
452 H HIS 62 HN HIS 62 18.941 9.075 7.414
453 HA HIS 62 HA HIS 62 17.745 10.967 8.008
454 HB2 HIS 62 HB2 HIS 62 17.149 12.252 6.134
455 HB3 HIS 62 HB1 HIS 62 18.369 11.147 5.502
456 HD2 HIS 62 HD2 HIS 62 17.419 9.289 3.608
457 HE1 HIS 62 HE1 HIS 62 13.386 10.538 3.682
458 HE2 HIS 62 HE2 HIS 62 15.069 9.054 2.491
459 H HIS 63 HN HIS 63 15.337 12.002 7.090
460 HA HIS 63 HA HIS 63 13.444 10.975 8.772
461 HB2 HIS 63 HB2 HIS 63 13.322 13.091 7.339
462 HB3 HIS 63 HB1 HIS 63 12.705 12.054 6.054
463 HD2 HIS 63 HD2 HIS 63 11.100 10.344 8.807
464 HE1 HIS 63 HE1 HIS 63 8.613 13.722 8.332
465 HE2 HIS 63 HE2 HIS 63 8.786 11.412 9.372
466 H HIS 64 HN HIS 64 13.144 8.802 8.909
467 HA HIS 64 HA HIS 64 13.081 6.968 6.799
468 HB2 HIS 64 HB2 HIS 64 11.901 5.477 8.379
469 HB3 HIS 64 HB1 HIS 64 13.279 6.275 9.137
470 HD2 HIS 64 HD2 HIS 64 12.614 7.685 11.428
471 HE1 HIS 64 HE1 HIS 64 8.436 7.821 10.836
472 HE2 HIS 64 HE2 HIS 64 10.315 8.397 12.443
Start of MODEL 8
1 H1 MET 1 HT1 MET 1 -2.484 10.560 24.194
2 H2 MET 1 HT2 MET 1 -3.679 10.193 25.346
3 H3 MET 1 HT3 MET 1 -3.647 9.372 23.858
4 HA MET 1 HA MET 1 -1.551 9.213 25.955
5 HB2 MET 1 HB2 MET 1 -4.061 7.986 25.866
6 HB3 MET 1 HB1 MET 1 -2.954 6.762 25.241
7 HG2 MET 1 HG2 MET 1 -1.467 7.211 27.231
8 HG3 MET 1 HG1 MET 1 -2.750 8.233 27.881
9 HE1 MET 1 HE1 MET 1 -1.159 5.027 28.159
10 HE2 MET 1 HE2 MET 1 -2.269 4.355 29.351
11 HE3 MET 1 HE3 MET 1 -1.642 5.988 29.564
12 H GLU 2 HN GLU 2 0.170 7.820 25.428
13 HA GLU 2 HA GLU 2 1.024 7.864 22.740
14 HB2 GLU 2 HB2 GLU 2 1.969 6.317 25.154
15 HB3 GLU 2 HB1 GLU 2 2.762 6.200 23.583
16 HG2 GLU 2 HG2 GLU 2 3.180 8.605 23.571
17 HG3 GLU 2 HG1 GLU 2 2.297 8.791 25.085
18 H GLU 3 HN GLU 3 -1.020 6.953 21.818
19 HA GLU 3 HA GLU 3 -1.237 4.034 22.026
20 HB2 GLU 3 HB2 GLU 3 -3.241 5.665 22.085
21 HB3 GLU 3 HB1 GLU 3 -2.994 5.807 20.344
22 HG2 GLU 3 HG2 GLU 3 -3.113 3.305 20.184
23 HG3 GLU 3 HG1 GLU 3 -3.539 3.261 21.895
24 H GLY 4 HN GLY 4 0.992 4.062 20.931
25 HA2 GLY 4 HA2 GLY 4 1.176 2.830 18.623
26 HA3 GLY 4 HA1 GLY 4 0.831 4.450 18.026
27 H GLY 5 HN GLY 5 2.272 5.928 19.954
28 HA2 GLY 5 HA2 GLY 5 4.379 6.888 20.040
29 HA3 GLY 5 HA1 GLY 5 4.836 5.280 20.592
30 H ASP 6 HN ASP 6 6.295 4.213 19.411
31 HA ASP 6 HA ASP 6 7.874 3.880 17.756
32 HB2 ASP 6 HB2 ASP 6 5.731 2.761 16.943
33 HB3 ASP 6 HB1 ASP 6 5.511 4.168 15.902
34 H PHE 7 HN PHE 7 9.094 5.778 17.887
35 HA PHE 7 HA PHE 7 8.296 8.115 16.348
36 HB2 PHE 7 HB2 PHE 7 10.421 7.458 18.318
37 HB3 PHE 7 HB1 PHE 7 10.797 8.706 17.129
38 HD1 PHE 7 HD2 PHE 7 9.096 10.612 16.807
39 HD2 PHE 7 HD1 PHE 7 9.058 7.950 20.178
40 HE1 PHE 7 HE2 PHE 7 7.724 12.241 18.078
41 HE2 PHE 7 HE1 PHE 7 7.686 9.579 21.449
42 HZ PHE 7 HZ PHE 7 7.019 11.725 20.400
43 H ASP 8 HN ASP 8 9.072 8.704 14.394
44 HA ASP 8 HA ASP 8 11.450 7.461 13.281
45 HB2 ASP 8 HB2 ASP 8 9.371 5.950 12.849
46 HB3 ASP 8 HB1 ASP 8 8.931 7.187 11.672
47 H ASN 9 HN ASN 9 11.090 10.087 13.937
48 HA ASN 9 HA ASN 9 11.126 11.354 11.288
49 HB2 ASN 9 HB2 ASN 9 8.870 11.603 12.663
50 HB3 ASN 9 HB1 ASN 9 9.795 12.847 13.504
51 HD21 ASN 9 HD21 ASN 9 7.493 13.046 11.470
52 HD22 ASN 9 HD22 ASN 9 8.089 14.102 10.282
53 H TYR 10 HN TYR 10 13.330 10.625 12.812
54 HA TYR 10 HA TYR 10 14.312 12.562 14.585
55 HB2 TYR 10 HB2 TYR 10 15.796 10.755 12.663
56 HB3 TYR 10 HB1 TYR 10 16.560 11.684 13.954
57 HD1 TYR 10 HD2 TYR 10 16.109 11.166 16.324
58 HD2 TYR 10 HD1 TYR 10 14.437 8.806 13.147
59 HE1 TYR 10 HE2 TYR 10 15.544 9.378 17.948
60 HE2 TYR 10 HE1 TYR 10 13.872 7.019 14.771
61 HH TYR 10 HH TYR 10 15.056 7.054 18.025
62 H TYR 11 HN TYR 11 13.569 14.561 13.604
63 HA TYR 11 HA TYR 11 14.376 15.525 11.102
64 HB2 TYR 11 HB2 TYR 11 13.514 17.552 11.773
65 HB3 TYR 11 HB1 TYR 11 12.744 16.496 12.956
66 HD1 TYR 11 HD2 TYR 11 14.798 15.853 14.862
67 HD2 TYR 11 HD1 TYR 11 14.097 19.565 12.818
68 HE1 TYR 11 HE2 TYR 11 15.927 17.078 16.699
69 HE2 TYR 11 HE1 TYR 11 15.225 20.790 14.655
70 HH TYR 11 HH TYR 11 16.964 19.127 17.175
71 H GLY 12 HN GLY 12 15.928 17.337 10.732
72 HA2 GLY 12 HA2 GLY 12 18.263 17.350 12.501
73 HA3 GLY 12 HA1 GLY 12 18.508 16.788 10.849
74 H ALA 13 HN ALA 13 19.467 18.343 9.706
75 HA ALA 13 HA ALA 13 18.196 20.870 9.284
76 HB1 ALA 13 HB1 ALA 13 19.679 22.345 10.339
77 HB2 ALA 13 HB2 ALA 13 20.913 21.103 10.550
78 HB3 ALA 13 HB3 ALA 13 19.458 21.078 11.545
79 H ASP 14 HN ASP 14 18.995 18.764 7.619
80 HA ASP 14 HA ASP 14 20.300 18.235 5.781
81 HB2 ASP 14 HB2 ASP 14 20.513 21.157 5.207
82 HB3 ASP 14 HB1 ASP 14 20.088 19.829 4.130
83 H ASN 15 HN ASN 15 21.858 18.429 8.112
84 HA ASN 15 HA ASN 15 24.428 19.155 6.918
85 HB2 ASN 15 HB2 ASN 15 23.290 20.386 9.416
86 HB3 ASN 15 HB1 ASN 15 25.032 20.233 9.194
87 HD21 ASN 15 HD21 ASN 15 22.642 22.456 8.823
88 HD22 ASN 15 HD22 ASN 15 23.248 23.324 7.497
89 H GLN 16 HN GLN 16 23.622 18.569 10.298
90 HA GLN 16 HA GLN 16 24.743 17.100 11.744
91 HB2 GLN 16 HB2 GLN 16 23.713 14.823 11.431
92 HB3 GLN 16 HB1 GLN 16 22.565 16.159 11.494
93 HG2 GLN 16 HG2 GLN 16 23.648 15.174 8.860
94 HG3 GLN 16 HG1 GLN 16 22.269 14.387 9.623
95 HE21 GLN 16 HE21 GLN 16 22.239 15.956 7.099
96 HE22 GLN 16 HE22 GLN 16 21.164 17.243 7.362
97 H SER 17 HN SER 17 26.659 17.736 9.927
98 HA SER 17 HA SER 17 27.814 15.904 8.286
99 HB2 SER 17 HB2 SER 17 29.073 17.757 10.299
100 HB3 SER 17 HB1 SER 17 30.052 16.747 9.237
101 HG SER 17 HG SER 17 29.531 17.980 7.607
102 H GLU 18 HN GLU 18 29.316 14.192 8.517
103 HA GLU 18 HA GLU 18 28.897 12.623 10.957
104 HB2 GLU 18 HB2 GLU 18 29.008 11.960 8.244
105 HB3 GLU 18 HB1 GLU 18 30.520 11.349 8.915
106 HG2 GLU 18 HG2 GLU 18 29.266 10.189 10.694
107 HG3 GLU 18 HG1 GLU 18 27.752 10.799 10.027
108 H CYS 19 HN CYS 19 30.684 11.576 12.018
109 HA CYS 19 HA CYS 19 33.382 12.464 11.462
110 HB2 CYS 19 HB2 CYS 19 31.783 13.571 13.739
111 HB3 CYS 19 HB1 CYS 19 33.509 13.282 13.959
112 HG CYS 19 HG CYS 19 32.751 14.906 11.442
113 H GLU 20 HN GLU 20 34.950 11.251 12.566
114 HA GLU 20 HA GLU 20 35.808 9.503 13.810
115 HB2 GLU 20 HB2 GLU 20 33.772 10.294 15.381
116 HB3 GLU 20 HB1 GLU 20 33.182 8.694 14.932
117 HG2 GLU 20 HG2 GLU 20 35.480 7.804 15.571
118 HG3 GLU 20 HG1 GLU 20 35.800 9.386 16.279
119 H TYR 21 HN TYR 21 32.925 9.206 11.909
120 HA TYR 21 HA TYR 21 33.003 6.340 11.660
121 HB2 TYR 21 HB2 TYR 21 31.040 8.093 11.258
122 HB3 TYR 21 HB1 TYR 21 31.665 8.043 9.609
123 HD1 TYR 21 HD2 TYR 21 30.360 5.937 12.388
124 HD2 TYR 21 HD1 TYR 21 31.297 6.158 8.202
125 HE1 TYR 21 HE2 TYR 21 29.209 3.771 12.016
126 HE2 TYR 21 HE1 TYR 21 30.146 3.993 7.830
127 HH TYR 21 HH TYR 21 28.199 2.699 9.135
128 H THR 22 HN THR 22 35.498 7.741 11.070
129 HA THR 22 HA THR 22 36.053 6.480 8.511
130 HB THR 22 HB THR 22 37.105 9.219 8.551
131 HG1 THR 22 HG1 THR 22 35.210 9.953 9.185
132 HG21 THR 22 HG21 THR 22 36.585 9.093 6.215
133 HG22 THR 22 HG22 THR 22 35.458 7.762 6.474
134 HG23 THR 22 HG23 THR 22 37.190 7.503 6.678
135 H ASP 23 HN ASP 23 36.828 6.477 11.464
136 HA ASP 23 HA ASP 23 39.730 6.389 10.984
137 HB2 ASP 23 HB2 ASP 23 40.287 7.758 12.746
138 HB3 ASP 23 HB1 ASP 23 38.785 8.530 12.241
139 H TRP 24 HN TRP 24 37.394 4.470 11.364
140 HA TRP 24 HA TRP 24 37.655 3.184 13.865
141 HB2 TRP 24 HB2 TRP 24 36.818 1.156 12.346
142 HB3 TRP 24 HB1 TRP 24 35.749 2.475 12.813
143 HD1 TRP 24 HD1 TRP 24 38.458 2.952 10.158
144 HE1 TRP 24 HE1 TRP 24 37.320 3.397 7.891
145 HE3 TRP 24 HE3 TRP 24 33.587 2.089 11.430
146 HZ2 TRP 24 HZ2 TRP 24 34.692 3.392 6.762
147 HZ3 TRP 24 HZ3 TRP 24 31.788 2.317 9.740
148 HH2 TRP 24 HH2 TRP 24 32.334 2.967 7.410
149 H LYS 25 HN LYS 25 38.340 1.164 11.122
150 HA LYS 25 HA LYS 25 40.601 -0.008 12.431
151 HB2 LYS 25 HB2 LYS 25 39.874 -0.385 9.529
152 HB3 LYS 25 HB1 LYS 25 40.671 -1.523 10.615
153 HG2 LYS 25 HG2 LYS 25 38.614 -2.410 10.936
154 HG3 LYS 25 HG1 LYS 25 38.292 -0.987 11.927
155 HD2 LYS 25 HD2 LYS 25 37.569 0.198 9.802
156 HD3 LYS 25 HD1 LYS 25 37.661 -1.364 8.989
157 HE2 LYS 25 HE2 LYS 25 35.994 -0.856 11.468
158 HE3 LYS 25 HE1 LYS 25 35.356 -0.781 9.826
159 HZ1 LYS 25 HZ1 LYS 25 35.264 -2.984 11.198
160 HZ2 LYS 25 HZ2 LYS 25 36.859 -3.162 10.641
161 HZ3 LYS 25 HZ3 LYS 25 35.579 -3.017 9.532
162 H SER 26 HN SER 26 40.929 2.813 11.960
163 HA SER 26 HA SER 26 42.755 3.128 9.738
164 HB2 SER 26 HB2 SER 26 41.912 5.200 10.040
165 HB3 SER 26 HB1 SER 26 41.436 4.859 11.702
166 HG SER 26 HG SER 26 43.412 5.428 12.395
167 H SER 27 HN SER 27 43.085 1.536 12.534
168 HA SER 27 HA SER 27 45.974 2.108 12.668
169 HB2 SER 27 HB2 SER 27 44.707 3.247 14.549
170 HB3 SER 27 HB1 SER 27 44.281 1.638 15.127
171 HG SER 27 HG SER 27 46.891 1.710 14.578
172 H GLY 28 HN GLY 28 43.694 -0.019 14.400
173 HA2 GLY 28 HA2 GLY 28 44.506 -2.393 13.047
174 HA3 GLY 28 HA1 GLY 28 45.335 -2.241 14.594
175 H ALA 29 HN ALA 29 42.144 -0.924 14.160
176 HA ALA 29 HA ALA 29 40.222 -1.324 15.386
177 HB1 ALA 29 HB1 ALA 29 39.177 -3.387 14.818
178 HB2 ALA 29 HB2 ALA 29 40.730 -4.189 14.580
179 HB3 ALA 29 HB3 ALA 29 40.188 -2.960 13.436
180 H LEU 30 HN LEU 30 42.586 -1.338 16.986
181 HA LEU 30 HA LEU 30 41.762 -3.244 19.093
182 HB2 LEU 30 HB2 LEU 30 44.496 -2.623 18.033
183 HB3 LEU 30 HB1 LEU 30 44.302 -3.067 19.729
184 HG LEU 30 HG LEU 30 42.918 -4.750 17.686
185 HD11 LEU 30 HD11 LEU 30 45.892 -4.870 18.278
186 HD12 LEU 30 HD12 LEU 30 45.157 -4.477 16.723
187 HD13 LEU 30 HD13 LEU 30 44.986 -6.099 17.394
188 HD21 LEU 30 HD21 LEU 30 42.784 -5.038 20.212
189 HD22 LEU 30 HD22 LEU 30 44.489 -5.488 20.169
190 HD23 LEU 30 HD23 LEU 30 43.295 -6.472 19.321
191 H ILE 31 HN ILE 31 42.892 -0.072 18.193
192 HA ILE 31 HA ILE 31 43.116 0.830 20.939
193 HB ILE 31 HB ILE 31 43.579 2.060 18.253
194 HG12 ILE 31 HG12 ILE 31 45.236 0.799 19.894
195 HG13 ILE 31 HG11 ILE 31 45.768 2.221 19.000
196 HG21 ILE 31 HG21 ILE 31 44.034 4.226 19.591
197 HG22 ILE 31 HG22 ILE 31 42.983 3.528 20.823
198 HG23 ILE 31 HG23 ILE 31 42.357 3.845 19.205
199 HD11 ILE 31 HD11 ILE 31 46.266 2.141 21.541
200 HD12 ILE 31 HD12 ILE 31 44.549 2.481 21.750
201 HD13 ILE 31 HD13 ILE 31 45.577 3.627 20.889
202 HA PRO 32 HA PRO 32 39.073 3.143 19.329
203 HB2 PRO 32 HB2 PRO 32 37.783 0.751 18.124
204 HB3 PRO 32 HB1 PRO 32 37.765 2.439 17.578
205 HG2 PRO 32 HG2 PRO 32 39.198 0.579 16.319
206 HG3 PRO 32 HG1 PRO 32 39.773 2.248 16.486
207 HD2 PRO 32 HD2 PRO 32 40.639 -0.204 17.970
208 HD3 PRO 32 HD1 PRO 32 41.601 1.194 17.441
209 H ALA 33 HN ALA 33 39.349 -0.210 20.351
210 HA ALA 33 HA ALA 33 36.943 -0.363 21.845
211 HB1 ALA 33 HB1 ALA 33 37.811 -2.463 21.492
212 HB2 ALA 33 HB2 ALA 33 38.441 -2.161 23.112
213 HB3 ALA 33 HB3 ALA 33 39.478 -1.927 21.705
214 H ILE 34 HN ILE 34 40.216 0.695 22.631
215 HA ILE 34 HA ILE 34 39.563 1.104 25.433
216 HB ILE 34 HB ILE 34 42.030 1.723 23.795
217 HG12 ILE 34 HG12 ILE 34 42.057 -0.158 26.084
218 HG13 ILE 34 HG11 ILE 34 41.120 -0.687 24.687
219 HG21 ILE 34 HG21 ILE 34 42.958 1.927 26.253
220 HG22 ILE 34 HG22 ILE 34 41.284 2.320 26.643
221 HG23 ILE 34 HG23 ILE 34 42.179 3.315 25.494
222 HD11 ILE 34 HD11 ILE 34 43.623 -1.306 24.721
223 HD12 ILE 34 HD12 ILE 34 43.919 0.400 24.386
224 HD13 ILE 34 HD13 ILE 34 42.995 -0.575 23.244
225 H TYR 35 HN TYR 35 38.959 2.754 22.618
226 HA TYR 35 HA TYR 35 39.343 5.438 23.690
227 HB2 TYR 35 HB2 TYR 35 39.562 4.575 21.189
228 HB3 TYR 35 HB1 TYR 35 37.833 4.923 21.167
229 HD1 TYR 35 HD1 TYR 35 41.206 6.366 21.613
230 HD2 TYR 35 HD2 TYR 35 36.998 7.192 21.365
231 HE1 TYR 35 HE1 TYR 35 41.696 8.785 21.371
232 HE2 TYR 35 HE2 TYR 35 37.487 9.612 21.122
233 HH TYR 35 HH TYR 35 39.673 11.132 21.925
234 H MET 36 HN MET 36 36.586 3.556 22.412
235 HA MET 36 HA MET 36 34.642 5.373 23.469
236 HB2 MET 36 HB2 MET 36 34.372 2.544 22.428
237 HB3 MET 36 HB1 MET 36 33.017 3.602 22.824
238 HG2 MET 36 HG2 MET 36 34.809 5.075 21.162
239 HG3 MET 36 HG1 MET 36 34.532 3.509 20.400
240 HE1 MET 36 HE1 MET 36 33.402 6.950 21.022
241 HE2 MET 36 HE2 MET 36 32.078 7.020 19.863
242 HE3 MET 36 HE3 MET 36 33.667 6.464 19.342
243 H LEU 37 HN LEU 37 36.697 3.668 25.159
244 HA LEU 37 HA LEU 37 34.755 2.636 27.126
245 HB2 LEU 37 HB2 LEU 37 37.457 1.840 26.285
246 HB3 LEU 37 HB1 LEU 37 37.254 1.906 28.035
247 HG LEU 37 HG LEU 37 36.690 -0.330 27.026
248 HD11 LEU 37 HD11 LEU 37 34.065 0.252 27.999
249 HD12 LEU 37 HD12 LEU 37 35.216 1.214 28.926
250 HD13 LEU 37 HD13 LEU 37 35.392 -0.538 28.849
251 HD21 LEU 37 HD21 LEU 37 35.452 1.159 25.082
252 HD22 LEU 37 HD22 LEU 37 34.078 0.652 26.066
253 HD23 LEU 37 HD23 LEU 37 35.153 -0.557 25.364
254 H VAL 38 HN VAL 38 36.144 5.435 26.451
255 HA VAL 38 HA VAL 38 36.394 6.183 29.289
256 HB VAL 38 HB VAL 38 38.255 7.178 27.124
257 HG11 VAL 38 HG11 VAL 38 37.957 8.741 28.967
258 HG12 VAL 38 HG12 VAL 38 39.540 7.978 29.120
259 HG13 VAL 38 HG13 VAL 38 38.203 7.451 30.144
260 HG21 VAL 38 HG21 VAL 38 39.863 5.766 28.739
261 HG22 VAL 38 HG22 VAL 38 39.064 5.028 27.350
262 HG23 VAL 38 HG23 VAL 38 38.384 4.831 28.966
263 H PHE 39 HN PHE 39 35.402 6.900 26.056
264 HA PHE 39 HA PHE 39 34.909 9.699 26.452
265 HB2 PHE 39 HB2 PHE 39 35.102 9.208 24.203
266 HB3 PHE 39 HB1 PHE 39 34.233 7.683 24.350
267 HD1 PHE 39 HD2 PHE 39 33.381 11.174 25.423
268 HD2 PHE 39 HD1 PHE 39 32.313 7.783 23.011
269 HE1 PHE 39 HE2 PHE 39 31.283 12.312 24.750
270 HE2 PHE 39 HE1 PHE 39 30.216 8.921 22.338
271 HZ PHE 39 HZ PHE 39 29.701 11.186 23.207
272 H LEU 40 HN LEU 40 32.963 6.752 26.700
273 HA LEU 40 HA LEU 40 30.570 8.266 27.374
274 HB2 LEU 40 HB2 LEU 40 30.025 5.625 27.971
275 HB3 LEU 40 HB1 LEU 40 29.691 6.413 26.431
276 HG LEU 40 HG LEU 40 32.351 5.110 27.063
277 HD11 LEU 40 HD11 LEU 40 31.132 3.449 25.270
278 HD12 LEU 40 HD12 LEU 40 29.762 3.930 26.271
279 HD13 LEU 40 HD13 LEU 40 31.170 3.167 27.011
280 HD21 LEU 40 HD21 LEU 40 31.495 5.161 24.293
281 HD22 LEU 40 HD22 LEU 40 32.947 5.851 25.016
282 HD23 LEU 40 HD23 LEU 40 31.456 6.788 24.973
283 H LEU 41 HN LEU 41 32.727 5.933 28.992
284 HA LEU 41 HA LEU 41 31.585 5.821 31.487
285 HB2 LEU 41 HB2 LEU 41 34.302 5.500 30.407
286 HB3 LEU 41 HB1 LEU 41 34.259 5.941 32.112
287 HG LEU 41 HG LEU 41 34.217 3.457 31.697
288 HD11 LEU 41 HD11 LEU 41 32.588 5.021 33.445
289 HD12 LEU 41 HD12 LEU 41 33.204 3.389 33.702
290 HD13 LEU 41 HD13 LEU 41 31.638 3.628 32.928
291 HD21 LEU 41 HD21 LEU 41 32.452 4.081 29.699
292 HD22 LEU 41 HD22 LEU 41 31.353 3.545 30.971
293 HD23 LEU 41 HD23 LEU 41 32.628 2.471 30.396
294 H GLY 42 HN GLY 42 33.956 8.235 30.364
295 HA2 GLY 42 HA2 GLY 42 33.813 9.791 32.765
296 HA3 GLY 42 HA1 GLY 42 34.568 10.279 31.250
297 H THR 43 HN THR 43 31.661 9.365 30.242
298 HA THR 43 HA THR 43 30.259 11.855 30.951
299 HB THR 43 HB THR 43 30.567 10.865 28.108
300 HG1 THR 43 HG1 THR 43 32.189 12.198 27.938
301 HG21 THR 43 HG21 THR 43 28.694 12.588 29.365
302 HG22 THR 43 HG22 THR 43 28.894 12.286 27.639
303 HG23 THR 43 HG23 THR 43 29.772 13.606 28.411
304 H THR 44 HN THR 44 28.733 10.631 28.354
305 HA THR 44 HA THR 44 26.806 9.424 28.040
306 HB THR 44 HB THR 44 27.739 7.696 30.336
307 HG1 THR 44 HG1 THR 44 29.384 8.081 28.736
308 HG21 THR 44 HG21 THR 44 26.118 7.145 27.834
309 HG22 THR 44 HG22 THR 44 25.478 7.259 29.473
310 HG23 THR 44 HG23 THR 44 26.571 5.944 29.044
311 H GLY 45 HN GLY 45 27.185 8.933 31.539
312 HA2 GLY 45 HA2 GLY 45 24.967 10.768 32.078
313 HA3 GLY 45 HA1 GLY 45 24.736 9.077 32.515
314 H ASN 46 HN ASN 46 27.385 11.453 32.792
315 HA ASN 46 HA ASN 46 27.359 11.212 35.688
316 HB2 ASN 46 HB2 ASN 46 29.055 9.764 35.868
317 HB3 ASN 46 HB1 ASN 46 29.104 9.606 34.113
318 HD21 ASN 46 HD21 ASN 46 30.528 11.160 32.923
319 HD22 ASN 46 HD22 ASN 46 31.851 11.858 33.726
320 H GLY 47 HN GLY 47 27.584 13.207 36.421
321 HA2 GLY 47 HA2 GLY 47 28.410 15.345 36.714
322 HA3 GLY 47 HA1 GLY 47 29.682 14.957 35.559
323 H LEU 48 HN LEU 48 27.320 14.092 33.728
324 HA LEU 48 HA LEU 48 26.952 16.765 32.565
325 HB2 LEU 48 HB2 LEU 48 27.889 14.924 31.151
326 HB3 LEU 48 HB1 LEU 48 26.371 14.053 31.349
327 HG LEU 48 HG LEU 48 25.160 15.990 30.344
328 HD11 LEU 48 HD11 LEU 48 27.934 17.103 30.351
329 HD12 LEU 48 HD12 LEU 48 26.394 17.923 30.602
330 HD13 LEU 48 HD13 LEU 48 26.904 17.485 28.972
331 HD21 LEU 48 HD21 LEU 48 25.956 14.050 28.979
332 HD22 LEU 48 HD22 LEU 48 27.424 14.956 28.611
333 HD23 LEU 48 HD23 LEU 48 25.859 15.549 28.053
334 H VAL 49 HN VAL 49 25.121 13.894 33.559
335 HA VAL 49 HA VAL 49 22.561 14.659 32.823
336 HB VAL 49 HB VAL 49 23.558 13.082 35.195
337 HG11 VAL 49 HG11 VAL 49 21.478 13.856 35.990
338 HG12 VAL 49 HG12 VAL 49 21.072 12.320 35.224
339 HG13 VAL 49 HG13 VAL 49 20.755 13.836 34.382
340 HG21 VAL 49 HG21 VAL 49 21.864 11.864 33.113
341 HG22 VAL 49 HG22 VAL 49 23.375 11.284 33.813
342 HG23 VAL 49 HG23 VAL 49 23.407 12.477 32.514
343 H LEU 50 HN LEU 50 24.553 15.798 35.464
344 HA LEU 50 HA LEU 50 22.406 17.168 36.824
345 HB2 LEU 50 HB2 LEU 50 25.407 17.468 37.108
346 HB3 LEU 50 HB1 LEU 50 24.193 18.107 38.218
347 HG LEU 50 HG LEU 50 23.593 15.359 37.851
348 HD11 LEU 50 HD11 LEU 50 25.666 14.268 38.521
349 HD12 LEU 50 HD12 LEU 50 26.503 15.820 38.573
350 HD13 LEU 50 HD13 LEU 50 25.951 15.167 37.030
351 HD21 LEU 50 HD21 LEU 50 24.060 15.267 40.261
352 HD22 LEU 50 HD22 LEU 50 23.206 16.760 39.871
353 HD23 LEU 50 HD23 LEU 50 24.944 16.789 40.164
354 H TRP 51 HN TRP 51 25.105 18.109 34.711
355 HA TRP 51 HA TRP 51 24.978 20.825 34.713
356 HB2 TRP 51 HB2 TRP 51 26.437 20.447 33.056
357 HB3 TRP 51 HB1 TRP 51 25.826 18.807 32.841
358 HD1 TRP 51 HD1 TRP 51 23.644 18.538 31.219
359 HE1 TRP 51 HE1 TRP 51 22.961 19.901 29.140
360 HE3 TRP 51 HE3 TRP 51 26.488 22.719 31.932
361 HZ2 TRP 51 HZ2 TRP 51 23.544 22.430 27.939
362 HZ3 TRP 51 HZ3 TRP 51 26.405 24.588 30.307
363 HH2 TRP 51 HH2 TRP 51 24.938 24.449 28.313
364 H THR 52 HN THR 52 22.673 18.617 33.221
365 HA THR 52 HA THR 52 21.178 20.589 31.817
366 HB THR 52 HB THR 52 20.575 17.784 32.737
367 HG1 THR 52 HG1 THR 52 20.400 18.576 30.108
368 HG21 THR 52 HG21 THR 52 18.542 18.183 31.104
369 HG22 THR 52 HG22 THR 52 18.746 19.865 31.595
370 HG23 THR 52 HG23 THR 52 18.411 18.627 32.806
371 H VAL 53 HN VAL 53 20.674 18.977 34.956
372 HA VAL 53 HA VAL 53 18.310 20.364 35.640
373 HB VAL 53 HB VAL 53 20.394 19.221 37.514
374 HG11 VAL 53 HG11 VAL 53 18.304 18.885 38.933
375 HG12 VAL 53 HG12 VAL 53 17.465 19.934 37.790
376 HG13 VAL 53 HG13 VAL 53 18.820 20.559 38.729
377 HG21 VAL 53 HG21 VAL 53 19.861 17.246 36.545
378 HG22 VAL 53 HG22 VAL 53 18.547 17.973 35.622
379 HG23 VAL 53 HG23 VAL 53 18.269 17.436 37.278
380 H PHE 54 HN PHE 54 21.720 21.123 36.049
381 HA PHE 54 HA PHE 54 21.233 23.412 37.739
382 HB2 PHE 54 HB2 PHE 54 23.336 22.349 38.040
383 HB3 PHE 54 HB1 PHE 54 23.673 22.357 36.309
384 HD1 PHE 54 HD1 PHE 54 23.218 24.555 39.282
385 HD2 PHE 54 HD2 PHE 54 24.679 24.236 35.255
386 HE1 PHE 54 HE1 PHE 54 24.307 26.772 39.501
387 HE2 PHE 54 HE2 PHE 54 25.768 26.453 35.475
388 HZ PHE 54 HZ PHE 54 25.582 27.722 37.597
389 H ARG 55 HN ARG 55 20.863 22.807 34.464
390 HA ARG 55 HA ARG 55 21.445 25.580 33.672
391 HB2 ARG 55 HB2 ARG 55 20.961 23.035 32.135
392 HB3 ARG 55 HB1 ARG 55 20.875 24.612 31.350
393 HG2 ARG 55 HG2 ARG 55 23.248 24.197 33.067
394 HG3 ARG 55 HG1 ARG 55 23.181 23.186 31.623
395 HD2 ARG 55 HD2 ARG 55 24.297 25.501 31.392
396 HD3 ARG 55 HD1 ARG 55 23.104 25.051 30.176
397 HE ARG 55 HE ARG 55 21.607 26.356 32.025
398 HH11 ARG 55 HH21 ARG 55 24.582 27.059 30.405
399 HH12 ARG 55 HH22 ARG 55 24.346 28.775 30.423
400 HH21 ARG 55 HH11 ARG 55 21.290 28.605 32.053
401 HH22 ARG 55 HH12 ARG 55 22.483 29.650 31.356
402 H LYS 56 HN LYS 56 18.838 23.158 33.414
403 HA LYS 56 HA LYS 56 16.826 24.579 32.272
404 HB2 LYS 56 HB2 LYS 56 16.816 22.592 34.522
405 HB3 LYS 56 HB1 LYS 56 15.309 23.353 34.015
406 HG2 LYS 56 HG2 LYS 56 17.130 22.176 31.937
407 HG3 LYS 56 HG1 LYS 56 16.090 21.107 32.877
408 HD2 LYS 56 HD2 LYS 56 14.797 23.536 31.750
409 HD3 LYS 56 HD1 LYS 56 15.277 22.298 30.592
410 HE2 LYS 56 HE2 LYS 56 12.966 21.932 31.409
411 HE3 LYS 56 HE1 LYS 56 14.033 20.601 31.856
412 HZ1 LYS 56 HZ1 LYS 56 12.758 21.201 33.755
413 HZ2 LYS 56 HZ2 LYS 56 13.147 22.846 33.583
414 HZ3 LYS 56 HZ3 LYS 56 14.347 21.728 34.027
415 H LYS 57 HN LYS 57 17.614 24.646 35.751
416 HA LYS 57 HA LYS 57 15.746 26.777 36.276
417 HB2 LYS 57 HB2 LYS 57 17.939 25.555 37.967
418 HB3 LYS 57 HB1 LYS 57 16.783 26.756 38.544
419 HG2 LYS 57 HG2 LYS 57 15.079 25.251 38.652
420 HG3 LYS 57 HG1 LYS 57 15.575 24.440 37.166
421 HD2 LYS 57 HD2 LYS 57 17.276 23.193 38.312
422 HD3 LYS 57 HD1 LYS 57 17.085 24.160 39.774
423 HE2 LYS 57 HE2 LYS 57 14.560 22.974 38.924
424 HE3 LYS 57 HE1 LYS 57 15.794 21.750 39.225
425 HZ1 LYS 57 HZ1 LYS 57 14.983 23.913 41.093
426 HZ2 LYS 57 HZ2 LYS 57 16.216 22.781 41.382
427 HZ3 LYS 57 HZ3 LYS 57 14.603 22.267 41.245
428 H GLY 58 HN GLY 58 17.487 27.523 34.220
429 HA2 GLY 58 HA2 GLY 58 19.534 29.256 35.360
430 HA3 GLY 58 HA1 GLY 58 19.196 29.021 33.648
431 H HIS 59 HN HIS 59 17.949 30.546 36.596
432 HA HIS 59 HA HIS 59 16.042 32.181 35.204
433 HB2 HIS 59 HB2 HIS 59 16.948 31.807 37.987
434 HB3 HIS 59 HB1 HIS 59 16.407 33.440 37.593
435 HD2 HIS 59 HD2 HIS 59 14.702 30.226 36.037
436 HE1 HIS 59 HE1 HIS 59 11.889 32.189 38.499
437 HE2 HIS 59 HE2 HIS 59 12.220 30.289 36.847
438 H HIS 60 HN HIS 60 19.168 32.841 36.793
439 HA HIS 60 HA HIS 60 19.348 35.558 36.147
440 HB2 HIS 60 HB2 HIS 60 21.129 33.480 37.129
441 HB3 HIS 60 HB1 HIS 60 21.964 34.607 36.060
442 HD2 HIS 60 HD2 HIS 60 22.739 36.903 37.376
443 HE1 HIS 60 HE1 HIS 60 19.966 36.747 40.555
444 HE2 HIS 60 HE2 HIS 60 21.930 38.033 39.587
445 H HIS 61 HN HIS 61 19.628 36.602 34.285
446 HA HIS 61 HA HIS 61 19.941 35.145 31.820
447 HB2 HIS 61 HB2 HIS 61 19.283 37.891 32.636
448 HB3 HIS 61 HB1 HIS 61 20.229 37.788 31.152
449 HD2 HIS 61 HD2 HIS 61 17.014 35.794 32.452
450 HE1 HIS 61 HE1 HIS 61 16.584 36.640 28.338
451 HE2 HIS 61 HE2 HIS 61 15.478 35.560 30.353
452 H HIS 62 HN HIS 62 21.870 34.386 31.228
453 HA HIS 62 HA HIS 62 24.358 35.151 32.202
454 HB2 HIS 62 HB2 HIS 62 23.404 33.679 29.796
455 HB3 HIS 62 HB1 HIS 62 25.077 34.236 29.795
456 HD2 HIS 62 HD2 HIS 62 26.654 33.181 32.022
457 HE1 HIS 62 HE1 HIS 62 23.944 30.047 32.835
458 HE2 HIS 62 HE2 HIS 62 26.276 30.938 33.305
459 H HIS 63 HN HIS 63 24.478 37.425 32.268
460 HA HIS 63 HA HIS 63 24.064 39.186 30.145
461 HB2 HIS 63 HB2 HIS 63 24.625 39.622 32.669
462 HB3 HIS 63 HB1 HIS 63 26.294 39.648 32.097
463 HD2 HIS 63 HD2 HIS 63 23.493 42.125 32.493
464 HE1 HIS 63 HE1 HIS 63 25.807 43.630 29.299
465 HE2 HIS 63 HE2 HIS 63 23.965 44.183 30.957
466 H HIS 64 HN HIS 64 25.664 40.346 28.852
467 HA HIS 64 HA HIS 64 27.252 38.659 27.289
468 HB2 HIS 64 HB2 HIS 64 26.456 40.843 26.505
469 HB3 HIS 64 HB1 HIS 64 27.499 41.652 27.675
470 HD2 HIS 64 HD2 HIS 64 30.246 41.714 26.982
471 HE1 HIS 64 HE1 HIS 64 29.816 39.810 23.238
472 HE2 HIS 64 HE2 HIS 64 31.430 41.063 24.746
Start of MODEL 9
1 H1 MET 1 HT1 MET 1 8.081 -46.010 24.677
2 H2 MET 1 HT2 MET 1 8.447 -47.047 25.972
3 H3 MET 1 HT3 MET 1 6.895 -47.063 25.279
4 HA MET 1 HA MET 1 7.834 -48.922 24.334
5 HB2 MET 1 HB2 MET 1 6.982 -47.264 22.641
6 HB3 MET 1 HB1 MET 1 8.641 -46.702 22.435
7 HG2 MET 1 HG2 MET 1 8.762 -49.513 22.252
8 HG3 MET 1 HG1 MET 1 7.362 -49.030 21.292
9 HE1 MET 1 HE1 MET 1 7.653 -48.652 18.849
10 HE2 MET 1 HE2 MET 1 8.554 -47.223 18.350
11 HE3 MET 1 HE3 MET 1 7.366 -47.099 19.646
12 H GLU 2 HN GLU 2 9.545 -49.799 25.451
13 HA GLU 2 HA GLU 2 12.216 -48.644 25.114
14 HB2 GLU 2 HB2 GLU 2 11.340 -51.026 26.764
15 HB3 GLU 2 HB1 GLU 2 12.906 -50.217 26.834
16 HG2 GLU 2 HG2 GLU 2 11.277 -48.093 27.222
17 HG3 GLU 2 HG1 GLU 2 10.285 -49.365 27.936
18 H GLU 3 HN GLU 3 11.320 -49.533 22.719
19 HA GLU 3 HA GLU 3 13.034 -51.880 22.260
20 HB2 GLU 3 HB2 GLU 3 10.130 -51.609 21.594
21 HB3 GLU 3 HB1 GLU 3 11.178 -52.499 20.489
22 HG2 GLU 3 HG2 GLU 3 11.689 -54.133 22.073
23 HG3 GLU 3 HG1 GLU 3 11.308 -53.076 23.432
24 H GLY 4 HN GLY 4 14.386 -49.960 21.621
25 HA2 GLY 4 HA2 GLY 4 15.498 -49.363 19.575
26 HA3 GLY 4 HA1 GLY 4 13.935 -49.385 18.763
27 H GLY 5 HN GLY 5 14.520 -47.889 21.890
28 HA2 GLY 5 HA2 GLY 5 13.283 -45.454 21.203
29 HA3 GLY 5 HA1 GLY 5 14.309 -45.713 22.611
30 H ASP 6 HN ASP 6 15.494 -43.843 22.526
31 HA ASP 6 HA ASP 6 16.868 -43.145 20.031
32 HB2 ASP 6 HB2 ASP 6 15.953 -41.698 22.386
33 HB3 ASP 6 HB1 ASP 6 17.628 -41.317 21.985
34 H PHE 7 HN PHE 7 18.531 -44.605 19.832
35 HA PHE 7 HA PHE 7 20.784 -44.219 21.627
36 HB2 PHE 7 HB2 PHE 7 19.182 -46.205 22.393
37 HB3 PHE 7 HB1 PHE 7 20.079 -47.076 21.149
38 HD1 PHE 7 HD2 PHE 7 20.418 -45.105 24.280
39 HD2 PHE 7 HD1 PHE 7 22.371 -47.689 21.459
40 HE1 PHE 7 HE2 PHE 7 22.339 -45.345 25.830
41 HE2 PHE 7 HE1 PHE 7 24.291 -47.931 23.009
42 HZ PHE 7 HZ PHE 7 24.276 -46.758 25.195
43 H ASP 8 HN ASP 8 20.446 -43.473 18.966
44 HA ASP 8 HA ASP 8 22.584 -45.028 17.722
45 HB2 ASP 8 HB2 ASP 8 19.829 -44.693 16.542
46 HB3 ASP 8 HB1 ASP 8 21.243 -45.015 15.541
47 H ASN 9 HN ASN 9 22.994 -42.607 18.755
48 HA ASN 9 HA ASN 9 23.518 -40.399 18.329
49 HB2 ASN 9 HB2 ASN 9 24.981 -40.127 16.485
50 HB3 ASN 9 HB1 ASN 9 25.179 -41.800 17.002
51 HD21 ASN 9 HD21 ASN 9 24.333 -43.492 15.603
52 HD22 ASN 9 HD22 ASN 9 23.832 -43.162 14.016
53 H TYR 10 HN TYR 10 20.785 -41.058 17.873
54 HA TYR 10 HA TYR 10 19.719 -40.135 15.458
55 HB2 TYR 10 HB2 TYR 10 18.670 -41.092 17.796
56 HB3 TYR 10 HB1 TYR 10 18.183 -39.398 17.857
57 HD1 TYR 10 HD2 TYR 10 17.788 -38.677 15.070
58 HD2 TYR 10 HD1 TYR 10 16.802 -42.332 17.101
59 HE1 TYR 10 HE2 TYR 10 16.007 -39.125 13.402
60 HE2 TYR 10 HE1 TYR 10 15.022 -42.779 15.433
61 HH TYR 10 HH TYR 10 13.596 -41.412 13.857
62 H TYR 11 HN TYR 11 20.203 -38.317 18.494
63 HA TYR 11 HA TYR 11 19.410 -35.810 17.533
64 HB2 TYR 11 HB2 TYR 11 21.143 -36.750 19.780
65 HB3 TYR 11 HB1 TYR 11 21.144 -35.033 19.373
66 HD1 TYR 11 HD2 TYR 11 19.052 -33.708 19.484
67 HD2 TYR 11 HD1 TYR 11 19.198 -37.814 20.740
68 HE1 TYR 11 HE2 TYR 11 16.890 -33.424 20.668
69 HE2 TYR 11 HE1 TYR 11 17.038 -37.530 21.922
70 HH TYR 11 HH TYR 11 15.150 -36.137 21.991
71 H GLY 12 HN GLY 12 20.697 -33.960 16.946
72 HA2 GLY 12 HA2 GLY 12 23.362 -34.579 15.845
73 HA3 GLY 12 HA1 GLY 12 22.145 -33.839 14.810
74 H ALA 13 HN ALA 13 21.043 -31.861 15.987
75 HA ALA 13 HA ALA 13 23.086 -29.901 16.330
76 HB1 ALA 13 HB1 ALA 13 20.099 -29.780 16.801
77 HB2 ALA 13 HB2 ALA 13 20.961 -29.274 15.349
78 HB3 ALA 13 HB3 ALA 13 21.173 -28.382 16.856
79 H ASP 14 HN ASP 14 24.175 -31.124 18.127
80 HA ASP 14 HA ASP 14 23.155 -30.132 20.708
81 HB2 ASP 14 HB2 ASP 14 22.653 -32.613 20.334
82 HB3 ASP 14 HB1 ASP 14 24.396 -32.866 20.428
83 H ASN 15 HN ASN 15 25.002 -28.717 19.403
84 HA ASN 15 HA ASN 15 27.466 -29.277 20.922
85 HB2 ASN 15 HB2 ASN 15 27.147 -29.097 17.999
86 HB3 ASN 15 HB1 ASN 15 28.450 -28.110 18.659
87 HD21 ASN 15 HD21 ASN 15 27.945 -31.105 17.378
88 HD22 ASN 15 HD22 ASN 15 29.134 -31.982 18.213
89 H GLN 16 HN GLN 16 26.856 -26.805 18.500
90 HA GLN 16 HA GLN 16 27.451 -24.528 18.751
91 HB2 GLN 16 HB2 GLN 16 25.438 -23.376 19.302
92 HB3 GLN 16 HB1 GLN 16 24.973 -24.890 18.532
93 HG2 GLN 16 HG2 GLN 16 25.113 -25.602 21.195
94 HG3 GLN 16 HG1 GLN 16 24.485 -23.959 21.274
95 HE21 GLN 16 HE21 GLN 16 23.584 -27.206 20.774
96 HE22 GLN 16 HE22 GLN 16 22.047 -26.924 20.111
97 H SER 17 HN SER 17 29.070 -25.626 20.578
98 HA SER 17 HA SER 17 28.551 -24.509 23.210
99 HB2 SER 17 HB2 SER 17 30.664 -26.236 21.995
100 HB3 SER 17 HB1 SER 17 31.050 -25.343 23.463
101 HG SER 17 HG SER 17 28.660 -26.821 23.236
102 H GLU 18 HN GLU 18 28.403 -22.269 22.497
103 HA GLU 18 HA GLU 18 29.251 -20.177 21.991
104 HB2 GLU 18 HB2 GLU 18 30.066 -20.770 24.348
105 HB3 GLU 18 HB1 GLU 18 31.632 -21.090 23.600
106 HG2 GLU 18 HG2 GLU 18 31.308 -18.733 22.514
107 HG3 GLU 18 HG1 GLU 18 30.137 -18.489 23.808
108 H CYS 19 HN CYS 19 29.654 -20.222 19.793
109 HA CYS 19 HA CYS 19 32.485 -20.395 19.057
110 HB2 CYS 19 HB2 CYS 19 31.897 -21.723 17.019
111 HB3 CYS 19 HB1 CYS 19 31.692 -22.617 18.526
112 HG CYS 19 HG CYS 19 29.134 -22.357 18.329
113 H GLU 20 HN GLU 20 31.606 -18.019 19.275
114 HA GLU 20 HA GLU 20 31.533 -16.931 16.655
115 HB2 GLU 20 HB2 GLU 20 29.286 -15.922 16.720
116 HB3 GLU 20 HB1 GLU 20 29.195 -17.683 16.715
117 HG2 GLU 20 HG2 GLU 20 27.848 -17.431 18.519
118 HG3 GLU 20 HG1 GLU 20 29.342 -17.131 19.405
119 H TYR 21 HN TYR 21 30.989 -16.543 20.101
120 HA TYR 21 HA TYR 21 31.172 -13.714 20.200
121 HB2 TYR 21 HB2 TYR 21 30.808 -14.030 22.396
122 HB3 TYR 21 HB1 TYR 21 30.692 -15.752 22.027
123 HD1 TYR 21 HD2 TYR 21 32.906 -17.098 21.950
124 HD2 TYR 21 HD1 TYR 21 32.529 -13.235 23.787
125 HE1 TYR 21 HE2 TYR 21 34.967 -17.522 23.264
126 HE2 TYR 21 HE1 TYR 21 34.589 -13.658 25.102
127 HH TYR 21 HH TYR 21 36.758 -15.307 24.636
128 H THR 22 HN THR 22 33.396 -15.769 19.048
129 HA THR 22 HA THR 22 35.752 -14.608 20.318
130 HB THR 22 HB THR 22 35.737 -16.458 17.938
131 HG1 THR 22 HG1 THR 22 34.963 -16.908 20.536
132 HG21 THR 22 HG21 THR 22 37.658 -16.074 20.252
133 HG22 THR 22 HG22 THR 22 37.866 -15.387 18.640
134 HG23 THR 22 HG23 THR 22 37.898 -17.136 18.864
135 H ASP 23 HN ASP 23 34.082 -14.565 17.199
136 HA ASP 23 HA ASP 23 36.037 -12.838 15.964
137 HB2 ASP 23 HB2 ASP 23 33.625 -14.274 15.157
138 HB3 ASP 23 HB1 ASP 23 33.736 -12.668 14.438
139 H TRP 24 HN TRP 24 33.893 -12.286 18.346
140 HA TRP 24 HA TRP 24 32.475 -9.983 17.602
141 HB2 TRP 24 HB2 TRP 24 32.109 -9.628 19.915
142 HB3 TRP 24 HB1 TRP 24 32.235 -11.374 19.731
143 HD1 TRP 24 HD1 TRP 24 35.551 -11.139 19.400
144 HE1 TRP 24 HE1 TRP 24 36.903 -10.919 21.580
145 HE3 TRP 24 HE3 TRP 24 31.874 -9.530 22.559
146 HZ2 TRP 24 HZ2 TRP 24 36.483 -10.162 24.306
147 HZ3 TRP 24 HZ3 TRP 24 32.378 -9.067 24.941
148 HH2 TRP 24 HH2 TRP 24 34.677 -9.380 25.817
149 H LYS 25 HN LYS 25 33.499 -8.275 19.820
150 HA LYS 25 HA LYS 25 35.264 -6.659 18.249
151 HB2 LYS 25 HB2 LYS 25 35.351 -5.231 20.285
152 HB3 LYS 25 HB1 LYS 25 33.704 -5.607 19.779
153 HG2 LYS 25 HG2 LYS 25 33.276 -6.594 21.754
154 HG3 LYS 25 HG1 LYS 25 34.662 -7.667 21.554
155 HD2 LYS 25 HD2 LYS 25 36.156 -5.895 22.413
156 HD3 LYS 25 HD1 LYS 25 34.764 -4.834 22.632
157 HE2 LYS 25 HE2 LYS 25 33.829 -6.894 24.017
158 HE3 LYS 25 HE1 LYS 25 35.543 -7.281 24.173
159 HZ1 LYS 25 HZ1 LYS 25 35.851 -4.919 24.906
160 HZ2 LYS 25 HZ2 LYS 25 34.991 -5.908 25.989
161 HZ3 LYS 25 HZ3 LYS 25 34.162 -4.796 25.007
162 H SER 26 HN SER 26 36.391 -9.186 18.560
163 HA SER 26 HA SER 26 38.285 -9.340 20.668
164 HB2 SER 26 HB2 SER 26 38.135 -11.413 19.753
165 HB3 SER 26 HB1 SER 26 37.722 -10.788 18.158
166 HG SER 26 HG SER 26 39.780 -10.729 17.647
167 H SER 27 HN SER 27 38.790 -8.646 17.202
168 HA SER 27 HA SER 27 41.066 -6.914 17.965
169 HB2 SER 27 HB2 SER 27 41.224 -8.132 15.303
170 HB3 SER 27 HB1 SER 27 42.462 -7.972 16.546
171 HG SER 27 HG SER 27 40.565 -9.987 16.125
172 H GLY 28 HN GLY 28 38.152 -7.305 16.206
173 HA2 GLY 28 HA2 GLY 28 38.331 -5.610 14.055
174 HA3 GLY 28 HA1 GLY 28 36.887 -5.756 15.050
175 H ALA 29 HN ALA 29 38.479 -4.800 17.426
176 HA ALA 29 HA ALA 29 38.888 -1.978 16.701
177 HB1 ALA 29 HB1 ALA 29 37.617 -1.436 18.887
178 HB2 ALA 29 HB2 ALA 29 36.928 -3.051 18.716
179 HB3 ALA 29 HB3 ALA 29 36.669 -1.844 17.457
180 H LEU 30 HN LEU 30 41.126 -2.803 16.987
181 HA LEU 30 HA LEU 30 42.158 -3.770 19.398
182 HB2 LEU 30 HB2 LEU 30 43.412 -2.067 17.240
183 HB3 LEU 30 HB1 LEU 30 44.323 -2.740 18.592
184 HG LEU 30 HG LEU 30 42.577 -4.608 17.056
185 HD11 LEU 30 HD11 LEU 30 43.583 -3.515 15.192
186 HD12 LEU 30 HD12 LEU 30 44.567 -4.952 15.475
187 HD13 LEU 30 HD13 LEU 30 45.135 -3.372 16.018
188 HD21 LEU 30 HD21 LEU 30 45.412 -4.871 18.099
189 HD22 LEU 30 HD22 LEU 30 44.322 -6.176 17.633
190 HD23 LEU 30 HD23 LEU 30 43.984 -5.216 19.073
191 H ILE 31 HN ILE 31 42.877 -0.475 18.294
192 HA ILE 31 HA ILE 31 42.981 0.417 21.052
193 HB ILE 31 HB ILE 31 43.805 1.553 18.416
194 HG12 ILE 31 HG12 ILE 31 45.169 0.187 20.230
195 HG13 ILE 31 HG11 ILE 31 45.915 1.535 19.376
196 HG21 ILE 31 HG21 ILE 31 43.109 3.140 20.891
197 HG22 ILE 31 HG22 ILE 31 42.668 3.467 19.214
198 HG23 ILE 31 HG23 ILE 31 44.331 3.702 19.750
199 HD11 ILE 31 HD11 ILE 31 44.459 1.968 21.983
200 HD12 ILE 31 HD12 ILE 31 45.673 2.993 21.217
201 HD13 ILE 31 HD13 ILE 31 46.148 1.465 21.955
202 HA PRO 32 HA PRO 32 39.345 3.125 19.125
203 HB2 PRO 32 HB2 PRO 32 37.922 0.882 17.789
204 HB3 PRO 32 HB1 PRO 32 38.130 2.562 17.261
205 HG2 PRO 32 HG2 PRO 32 39.463 0.560 16.113
206 HG3 PRO 32 HG1 PRO 32 40.190 2.160 16.338
207 HD2 PRO 32 HD2 PRO 32 40.675 -0.364 17.872
208 HD3 PRO 32 HD1 PRO 32 41.813 0.930 17.439
209 H ALA 33 HN ALA 33 39.481 -0.047 20.450
210 HA ALA 33 HA ALA 33 36.847 -0.043 21.629
211 HB1 ALA 33 HB1 ALA 33 39.278 -1.797 21.879
212 HB2 ALA 33 HB2 ALA 33 37.682 -2.201 21.245
213 HB3 ALA 33 HB3 ALA 33 37.913 -1.981 22.979
214 H ILE 34 HN ILE 34 40.066 0.962 22.551
215 HA ILE 34 HA ILE 34 39.392 1.293 25.350
216 HB ILE 34 HB ILE 34 41.796 2.455 23.950
217 HG12 ILE 34 HG12 ILE 34 41.769 0.157 23.244
218 HG13 ILE 34 HG11 ILE 34 42.907 0.257 24.588
219 HG21 ILE 34 HG21 ILE 34 42.822 2.065 26.168
220 HG22 ILE 34 HG22 ILE 34 41.293 1.405 26.752
221 HG23 ILE 34 HG23 ILE 34 41.401 3.103 26.292
222 HD11 ILE 34 HD11 ILE 34 40.896 -0.361 26.090
223 HD12 ILE 34 HD12 ILE 34 41.586 -1.641 25.093
224 HD13 ILE 34 HD13 ILE 34 40.096 -0.842 24.594
225 H TYR 35 HN TYR 35 39.077 3.104 22.468
226 HA TYR 35 HA TYR 35 39.245 5.732 23.558
227 HB2 TYR 35 HB2 TYR 35 38.839 4.574 21.010
228 HB3 TYR 35 HB1 TYR 35 37.448 5.613 21.320
229 HD1 TYR 35 HD1 TYR 35 37.718 8.020 21.674
230 HD2 TYR 35 HD2 TYR 35 41.102 5.491 20.894
231 HE1 TYR 35 HE1 TYR 35 39.109 10.021 21.218
232 HE2 TYR 35 HE2 TYR 35 42.493 7.492 20.438
233 HH TYR 35 HH TYR 35 41.081 10.711 20.269
234 H MET 36 HN MET 36 36.423 3.766 22.589
235 HA MET 36 HA MET 36 34.494 5.516 23.696
236 HB2 MET 36 HB2 MET 36 34.318 2.546 23.129
237 HB3 MET 36 HB1 MET 36 32.945 3.604 23.461
238 HG2 MET 36 HG2 MET 36 32.963 4.468 21.367
239 HG3 MET 36 HG1 MET 36 34.719 4.633 21.361
240 HE1 MET 36 HE1 MET 36 35.787 3.729 19.468
241 HE2 MET 36 HE2 MET 36 34.225 4.041 18.715
242 HE3 MET 36 HE3 MET 36 35.073 2.534 18.374
243 H LEU 37 HN LEU 37 36.254 2.753 25.005
244 HA LEU 37 HA LEU 37 34.760 2.516 27.410
245 HB2 LEU 37 HB2 LEU 37 37.244 1.414 26.291
246 HB3 LEU 37 HB1 LEU 37 37.273 1.590 28.044
247 HG LEU 37 HG LEU 37 36.382 -0.630 27.254
248 HD11 LEU 37 HD11 LEU 37 33.969 0.261 28.507
249 HD12 LEU 37 HD12 LEU 37 35.316 1.145 29.223
250 HD13 LEU 37 HD13 LEU 37 35.314 -0.617 29.231
251 HD21 LEU 37 HD21 LEU 37 35.047 0.871 25.388
252 HD22 LEU 37 HD22 LEU 37 33.770 0.563 26.565
253 HD23 LEU 37 HD23 LEU 37 34.624 -0.787 25.817
254 H VAL 38 HN VAL 38 36.297 5.137 26.394
255 HA VAL 38 HA VAL 38 37.018 5.969 29.131
256 HB VAL 38 HB VAL 38 38.603 6.511 26.610
257 HG11 VAL 38 HG11 VAL 38 38.821 8.519 27.762
258 HG12 VAL 38 HG12 VAL 38 40.129 7.582 28.484
259 HG13 VAL 38 HG13 VAL 38 38.596 7.759 29.338
260 HG21 VAL 38 HG21 VAL 38 40.362 5.273 27.721
261 HG22 VAL 38 HG22 VAL 38 38.903 4.281 27.764
262 HG23 VAL 38 HG23 VAL 38 39.413 5.163 29.204
263 H PHE 39 HN PHE 39 35.129 6.440 26.459
264 HA PHE 39 HA PHE 39 34.979 9.360 26.745
265 HB2 PHE 39 HB2 PHE 39 34.797 7.689 24.534
266 HB3 PHE 39 HB1 PHE 39 33.124 8.146 24.854
267 HD1 PHE 39 HD1 PHE 39 32.636 10.659 25.259
268 HD2 PHE 39 HD2 PHE 39 36.249 9.193 23.455
269 HE1 PHE 39 HE1 PHE 39 33.060 12.900 24.286
270 HE2 PHE 39 HE2 PHE 39 36.672 11.434 22.482
271 HZ PHE 39 HZ PHE 39 35.078 13.288 22.898
272 H LEU 40 HN LEU 40 32.696 6.616 26.549
273 HA LEU 40 HA LEU 40 30.504 8.062 27.621
274 HB2 LEU 40 HB2 LEU 40 29.501 5.786 27.951
275 HB3 LEU 40 HB1 LEU 40 30.089 6.079 26.315
276 HG LEU 40 HG LEU 40 32.265 5.040 27.842
277 HD11 LEU 40 HD11 LEU 40 31.376 2.888 28.555
278 HD12 LEU 40 HD12 LEU 40 29.768 3.324 27.977
279 HD13 LEU 40 HD13 LEU 40 30.470 4.173 29.355
280 HD21 LEU 40 HD21 LEU 40 32.197 3.290 26.138
281 HD22 LEU 40 HD22 LEU 40 31.849 4.845 25.383
282 HD23 LEU 40 HD23 LEU 40 30.537 3.718 25.726
283 H LEU 41 HN LEU 41 33.081 6.173 29.071
284 HA LEU 41 HA LEU 41 32.074 5.676 31.601
285 HB2 LEU 41 HB2 LEU 41 34.756 6.033 30.426
286 HB3 LEU 41 HB1 LEU 41 34.663 6.327 32.162
287 HG LEU 41 HG LEU 41 33.583 4.132 32.483
288 HD11 LEU 41 HD11 LEU 41 33.690 4.165 29.490
289 HD12 LEU 41 HD12 LEU 41 32.405 3.600 30.557
290 HD13 LEU 41 HD13 LEU 41 33.850 2.617 30.318
291 HD21 LEU 41 HD21 LEU 41 36.275 4.537 31.396
292 HD22 LEU 41 HD22 LEU 41 35.687 2.891 31.162
293 HD23 LEU 41 HD23 LEU 41 35.760 3.579 32.784
294 H GLY 42 HN GLY 42 33.668 8.626 30.414
295 HA2 GLY 42 HA2 GLY 42 32.892 10.006 32.902
296 HA3 GLY 42 HA1 GLY 42 34.123 10.556 31.770
297 H THR 43 HN THR 43 31.372 9.362 30.202
298 HA THR 43 HA THR 43 30.096 12.010 30.071
299 HB THR 43 HB THR 43 30.546 10.416 27.562
300 HG1 THR 43 HG1 THR 43 32.254 12.306 28.796
301 HG21 THR 43 HG21 THR 43 28.986 12.569 28.079
302 HG22 THR 43 HG22 THR 43 29.731 12.271 26.509
303 HG23 THR 43 HG23 THR 43 30.493 13.379 27.651
304 H THR 44 HN THR 44 28.608 10.801 27.686
305 HA THR 44 HA THR 44 26.573 9.794 27.349
306 HB THR 44 HB THR 44 27.613 7.852 29.427
307 HG1 THR 44 HG1 THR 44 28.230 8.360 26.805
308 HG21 THR 44 HG21 THR 44 25.420 7.700 27.349
309 HG22 THR 44 HG22 THR 44 25.260 7.511 29.095
310 HG23 THR 44 HG23 THR 44 26.093 6.279 28.147
311 H GLY 45 HN GLY 45 26.885 8.858 30.748
312 HA2 GLY 45 HA2 GLY 45 24.928 10.877 31.559
313 HA3 GLY 45 HA1 GLY 45 24.441 9.191 31.720
314 H ASN 46 HN ASN 46 27.665 10.570 32.221
315 HA ASN 46 HA ASN 46 28.146 9.160 34.606
316 HB2 ASN 46 HB2 ASN 46 30.076 10.646 34.877
317 HB3 ASN 46 HB1 ASN 46 29.938 10.108 33.205
318 HD21 ASN 46 HD21 ASN 46 28.970 11.693 31.636
319 HD22 ASN 46 HD22 ASN 46 29.085 13.354 31.964
320 H GLY 47 HN GLY 47 26.052 9.605 35.686
321 HA2 GLY 47 HA2 GLY 47 26.381 11.551 37.750
322 HA3 GLY 47 HA1 GLY 47 25.151 12.057 36.595
323 H LEU 48 HN LEU 48 24.280 9.352 35.978
324 HA LEU 48 HA LEU 48 23.195 8.405 38.541
325 HB2 LEU 48 HB2 LEU 48 21.709 9.874 36.554
326 HB3 LEU 48 HB1 LEU 48 21.070 8.237 36.696
327 HG LEU 48 HG LEU 48 21.606 10.054 39.062
328 HD11 LEU 48 HD11 LEU 48 19.051 10.121 39.124
329 HD12 LEU 48 HD12 LEU 48 19.092 9.500 37.473
330 HD13 LEU 48 HD13 LEU 48 19.815 11.065 37.846
331 HD21 LEU 48 HD21 LEU 48 21.166 8.228 40.310
332 HD22 LEU 48 HD22 LEU 48 21.162 7.266 38.833
333 HD23 LEU 48 HD23 LEU 48 19.657 7.957 39.439
334 H VAL 49 HN VAL 49 24.692 7.752 35.674
335 HA VAL 49 HA VAL 49 23.467 5.162 35.168
336 HB VAL 49 HB VAL 49 25.844 6.574 33.939
337 HG11 VAL 49 HG11 VAL 49 25.375 4.669 32.175
338 HG12 VAL 49 HG12 VAL 49 24.705 3.821 33.570
339 HG13 VAL 49 HG13 VAL 49 26.392 4.339 33.578
340 HG21 VAL 49 HG21 VAL 49 24.358 6.858 32.033
341 HG22 VAL 49 HG22 VAL 49 23.545 7.477 33.470
342 HG23 VAL 49 HG23 VAL 49 23.105 5.898 32.821
343 H LEU 50 HN LEU 50 25.735 6.384 37.309
344 HA LEU 50 HA LEU 50 27.312 3.910 37.413
345 HB2 LEU 50 HB2 LEU 50 28.436 5.330 39.340
346 HB3 LEU 50 HB1 LEU 50 28.808 5.653 37.647
347 HG LEU 50 HG LEU 50 27.160 7.463 37.595
348 HD11 LEU 50 HD11 LEU 50 26.588 6.479 40.391
349 HD12 LEU 50 HD12 LEU 50 25.450 6.760 39.073
350 HD13 LEU 50 HD13 LEU 50 26.193 8.127 39.904
351 HD21 LEU 50 HD21 LEU 50 29.532 7.414 39.188
352 HD22 LEU 50 HD22 LEU 50 28.348 8.427 40.013
353 HD23 LEU 50 HD23 LEU 50 28.813 8.790 38.351
354 H TRP 51 HN TRP 51 24.438 4.930 38.578
355 HA TRP 51 HA TRP 51 24.744 3.889 41.294
356 HB2 TRP 51 HB2 TRP 51 23.023 5.248 41.754
357 HB3 TRP 51 HB1 TRP 51 23.045 5.785 40.074
358 HD1 TRP 51 HD1 TRP 51 21.619 4.134 38.327
359 HE1 TRP 51 HE1 TRP 51 19.343 2.992 38.726
360 HE3 TRP 51 HE3 TRP 51 21.444 4.276 43.429
361 HZ2 TRP 51 HZ2 TRP 51 17.669 2.239 40.920
362 HZ3 TRP 51 HZ3 TRP 51 19.498 3.341 44.646
363 HH2 TRP 51 HH2 TRP 51 17.612 2.323 43.399
364 H THR 52 HN THR 52 23.710 2.875 38.167
365 HA THR 52 HA THR 52 22.137 0.635 39.159
366 HB THR 52 HB THR 52 21.765 2.009 36.965
367 HG1 THR 52 HG1 THR 52 21.129 -0.095 35.964
368 HG21 THR 52 HG21 THR 52 24.221 1.445 36.310
369 HG22 THR 52 HG22 THR 52 22.976 1.349 35.066
370 HG23 THR 52 HG23 THR 52 23.567 -0.123 35.838
371 H VAL 53 HN VAL 53 25.392 1.327 38.288
372 HA VAL 53 HA VAL 53 26.176 -1.347 37.603
373 HB VAL 53 HB VAL 53 27.682 1.166 38.310
374 HG11 VAL 53 HG11 VAL 53 28.678 -1.659 37.989
375 HG12 VAL 53 HG12 VAL 53 29.148 -0.448 39.183
376 HG13 VAL 53 HG13 VAL 53 29.693 -0.297 37.512
377 HG21 VAL 53 HG21 VAL 53 27.923 1.395 36.050
378 HG22 VAL 53 HG22 VAL 53 26.518 0.330 35.982
379 HG23 VAL 53 HG23 VAL 53 28.141 -0.337 35.802
380 H PHE 54 HN PHE 54 26.340 0.646 40.533
381 HA PHE 54 HA PHE 54 27.602 -1.456 42.070
382 HB2 PHE 54 HB2 PHE 54 28.217 0.375 43.213
383 HB3 PHE 54 HB1 PHE 54 26.992 1.363 42.416
384 HD1 PHE 54 HD1 PHE 54 27.653 -0.918 45.258
385 HD2 PHE 54 HD2 PHE 54 24.840 1.762 43.427
386 HE1 PHE 54 HE1 PHE 54 26.281 -0.946 47.324
387 HE2 PHE 54 HE2 PHE 54 23.468 1.734 45.493
388 HZ PHE 54 HZ PHE 54 24.189 0.379 47.442
389 H ARG 55 HN ARG 55 24.457 -0.780 41.067
390 HA ARG 55 HA ARG 55 23.202 -2.026 43.407
391 HB2 ARG 55 HB2 ARG 55 22.200 0.023 42.381
392 HB3 ARG 55 HB1 ARG 55 21.902 -0.909 40.914
393 HG2 ARG 55 HG2 ARG 55 19.981 -1.654 41.814
394 HG3 ARG 55 HG1 ARG 55 20.918 -2.464 43.070
395 HD2 ARG 55 HD2 ARG 55 20.036 0.433 43.176
396 HD3 ARG 55 HD1 ARG 55 19.229 -0.894 44.008
397 HE ARG 55 HE ARG 55 21.922 -0.966 44.759
398 HH11 ARG 55 HH21 ARG 55 19.179 1.134 44.970
399 HH12 ARG 55 HH22 ARG 55 19.672 1.854 46.466
400 HH21 ARG 55 HH11 ARG 55 22.574 -0.028 46.722
401 HH22 ARG 55 HH12 ARG 55 21.595 1.196 47.458
402 H LYS 56 HN LYS 56 23.039 -2.403 39.854
403 HA LYS 56 HA LYS 56 21.731 -4.820 39.720
404 HB2 LYS 56 HB2 LYS 56 22.521 -5.016 37.527
405 HB3 LYS 56 HB1 LYS 56 22.621 -3.281 37.823
406 HG2 LYS 56 HG2 LYS 56 25.038 -3.783 38.639
407 HG3 LYS 56 HG1 LYS 56 24.845 -5.313 37.783
408 HD2 LYS 56 HD2 LYS 56 24.464 -2.565 36.555
409 HD3 LYS 56 HD1 LYS 56 25.882 -3.589 36.336
410 HE2 LYS 56 HE2 LYS 56 24.569 -4.052 34.431
411 HE3 LYS 56 HE1 LYS 56 24.205 -5.389 35.522
412 HZ1 LYS 56 HZ1 LYS 56 22.520 -3.122 35.968
413 HZ2 LYS 56 HZ2 LYS 56 22.100 -4.746 35.695
414 HZ3 LYS 56 HZ3 LYS 56 22.388 -3.707 34.380
415 H LYS 57 HN LYS 57 24.999 -4.185 40.727
416 HA LYS 57 HA LYS 57 25.715 -7.020 40.666
417 HB2 LYS 57 HB2 LYS 57 27.229 -4.493 41.312
418 HB3 LYS 57 HB1 LYS 57 27.899 -6.092 41.643
419 HG2 LYS 57 HG2 LYS 57 27.708 -6.714 39.299
420 HG3 LYS 57 HG1 LYS 57 26.891 -5.196 38.928
421 HD2 LYS 57 HD2 LYS 57 28.844 -3.915 39.308
422 HD3 LYS 57 HD1 LYS 57 29.642 -5.234 40.168
423 HE2 LYS 57 HE2 LYS 57 28.828 -5.877 37.401
424 HE3 LYS 57 HE1 LYS 57 30.079 -4.642 37.536
425 HZ1 LYS 57 HZ1 LYS 57 31.151 -6.737 37.459
426 HZ2 LYS 57 HZ2 LYS 57 30.130 -7.389 38.652
427 HZ3 LYS 57 HZ3 LYS 57 31.265 -6.191 39.062
428 H GLY 58 HN GLY 58 23.560 -6.391 42.358
429 HA2 GLY 58 HA2 GLY 58 24.655 -6.330 45.078
430 HA3 GLY 58 HA1 GLY 58 22.953 -6.214 44.637
431 H HIS 59 HN HIS 59 21.725 -7.991 44.818
432 HA HIS 59 HA HIS 59 22.644 -10.333 46.044
433 HB2 HIS 59 HB2 HIS 59 20.216 -10.235 44.258
434 HB3 HIS 59 HB1 HIS 59 20.470 -11.202 45.711
435 HD2 HIS 59 HD2 HIS 59 21.396 -8.807 47.779
436 HE1 HIS 59 HE1 HIS 59 17.771 -6.943 46.678
437 HE2 HIS 59 HE2 HIS 59 19.632 -6.986 48.406
438 H HIS 60 HN HIS 60 22.493 -9.419 42.677
439 HA HIS 60 HA HIS 60 22.574 -11.845 41.366
440 HB2 HIS 60 HB2 HIS 60 22.649 -9.435 40.419
441 HB3 HIS 60 HB1 HIS 60 24.400 -9.595 40.559
442 HD2 HIS 60 HD2 HIS 60 21.689 -12.138 39.083
443 HE1 HIS 60 HE1 HIS 60 24.920 -11.800 36.388
444 HE2 HIS 60 HE2 HIS 60 22.693 -12.945 36.812
445 H HIS 61 HN HIS 61 23.713 -13.514 42.224
446 HA HIS 61 HA HIS 61 26.379 -13.209 43.259
447 HB2 HIS 61 HB2 HIS 61 26.306 -15.571 43.656
448 HB3 HIS 61 HB1 HIS 61 24.703 -14.938 44.029
449 HD2 HIS 61 HD2 HIS 61 22.857 -15.256 41.665
450 HE1 HIS 61 HE1 HIS 61 24.923 -18.696 40.355
451 HE2 HIS 61 HE2 HIS 61 22.786 -17.348 40.103
452 H HIS 62 HN HIS 62 28.168 -14.651 42.422
453 HA HIS 62 HA HIS 62 28.895 -13.902 39.825
454 HB2 HIS 62 HB2 HIS 62 29.894 -15.994 41.735
455 HB3 HIS 62 HB1 HIS 62 30.555 -15.891 40.104
456 HD2 HIS 62 HD2 HIS 62 30.186 -13.450 43.229
457 HE1 HIS 62 HE1 HIS 62 33.419 -12.164 40.836
458 HE2 HIS 62 HE2 HIS 62 32.150 -11.744 42.995
459 H HIS 63 HN HIS 63 27.770 -14.447 38.058
460 HA HIS 63 HA HIS 63 26.126 -16.692 37.747
461 HB2 HIS 63 HB2 HIS 63 26.619 -14.459 36.270
462 HB3 HIS 63 HB1 HIS 63 27.418 -15.689 35.291
463 HD2 HIS 63 HD2 HIS 63 25.125 -18.100 36.022
464 HE1 HIS 63 HE1 HIS 63 22.498 -15.447 34.049
465 HE2 HIS 63 HE2 HIS 63 22.807 -17.837 34.849
466 H HIS 64 HN HIS 64 26.693 -18.764 37.754
467 HA HIS 64 HA HIS 64 28.489 -19.923 35.947
468 HB2 HIS 64 HB2 HIS 64 30.465 -19.395 36.908
469 HB3 HIS 64 HB1 HIS 64 29.706 -18.931 38.430
470 HD2 HIS 64 HD2 HIS 64 30.415 -22.441 36.649
471 HE1 HIS 64 HE1 HIS 64 30.891 -22.856 40.823
472 HE2 HIS 64 HE2 HIS 64 31.030 -24.068 38.597
Start of MODEL 10
1 H1 MET 1 HT1 MET 1 44.348 -11.082 47.839
2 H2 MET 1 HT2 MET 1 45.110 -9.629 48.280
3 H3 MET 1 HT3 MET 1 45.730 -11.116 48.821
4 HA MET 1 HA MET 1 45.679 -10.132 46.022
5 HB2 MET 1 HB2 MET 1 47.917 -10.664 47.999
6 HB3 MET 1 HB1 MET 1 48.163 -10.290 46.292
7 HG2 MET 1 HG2 MET 1 47.200 -8.113 46.535
8 HG3 MET 1 HG1 MET 1 46.588 -8.491 48.145
9 HE1 MET 1 HE1 MET 1 47.474 -7.010 49.741
10 HE2 MET 1 HE2 MET 1 49.077 -7.260 50.427
11 HE3 MET 1 HE3 MET 1 47.964 -8.619 50.290
12 H GLU 2 HN GLU 2 44.915 -11.867 44.911
13 HA GLU 2 HA GLU 2 44.658 -14.056 44.210
14 HB2 GLU 2 HB2 GLU 2 47.656 -14.054 44.625
15 HB3 GLU 2 HB1 GLU 2 46.741 -15.084 43.523
16 HG2 GLU 2 HG2 GLU 2 45.920 -12.975 42.388
17 HG3 GLU 2 HG1 GLU 2 47.082 -12.081 43.367
18 H GLU 3 HN GLU 3 43.758 -14.162 46.632
19 HA GLU 3 HA GLU 3 44.740 -16.697 47.664
20 HB2 GLU 3 HB2 GLU 3 45.404 -14.170 48.926
21 HB3 GLU 3 HB1 GLU 3 44.454 -15.194 50.005
22 HG2 GLU 3 HG2 GLU 3 46.880 -16.173 48.480
23 HG3 GLU 3 HG1 GLU 3 46.947 -15.576 50.137
24 H GLY 4 HN GLY 4 42.767 -17.623 47.254
25 HA2 GLY 4 HA2 GLY 4 40.797 -18.016 48.900
26 HA3 GLY 4 HA1 GLY 4 40.370 -16.375 48.425
27 H GLY 5 HN GLY 5 40.664 -16.202 45.821
28 HA2 GLY 5 HA2 GLY 5 39.908 -16.856 43.735
29 HA3 GLY 5 HA1 GLY 5 39.784 -18.504 44.345
30 H ASP 6 HN ASP 6 38.072 -15.721 43.445
31 HA ASP 6 HA ASP 6 35.698 -16.154 45.001
32 HB2 ASP 6 HB2 ASP 6 36.663 -14.087 43.454
33 HB3 ASP 6 HB1 ASP 6 35.355 -14.732 42.463
34 H PHE 7 HN PHE 7 33.664 -16.896 44.219
35 HA PHE 7 HA PHE 7 33.820 -19.255 42.639
36 HB2 PHE 7 HB2 PHE 7 31.398 -17.663 43.518
37 HB3 PHE 7 HB1 PHE 7 31.365 -19.302 42.866
38 HD1 PHE 7 HD1 PHE 7 32.774 -21.096 44.083
39 HD2 PHE 7 HD2 PHE 7 31.740 -17.306 45.819
40 HE1 PHE 7 HE1 PHE 7 33.232 -22.007 46.345
41 HE2 PHE 7 HE2 PHE 7 32.197 -18.216 48.080
42 HZ PHE 7 HZ PHE 7 32.944 -20.566 48.343
43 H ASP 8 HN ASP 8 33.044 -19.677 40.571
44 HA ASP 8 HA ASP 8 32.173 -17.396 38.938
45 HB2 ASP 8 HB2 ASP 8 34.721 -17.800 38.803
46 HB3 ASP 8 HB1 ASP 8 34.300 -19.262 37.912
47 H ASN 9 HN ASN 9 30.405 -19.194 39.767
48 HA ASN 9 HA ASN 9 30.066 -21.092 37.522
49 HB2 ASN 9 HB2 ASN 9 30.249 -21.939 39.968
50 HB3 ASN 9 HB1 ASN 9 28.616 -21.300 40.146
51 HD21 ASN 9 HD21 ASN 9 27.079 -22.898 39.803
52 HD22 ASN 9 HD22 ASN 9 27.228 -24.172 38.690
53 H TYR 10 HN TYR 10 29.383 -18.351 37.291
54 HA TYR 10 HA TYR 10 26.668 -17.812 37.843
55 HB2 TYR 10 HB2 TYR 10 28.756 -16.654 36.061
56 HB3 TYR 10 HB1 TYR 10 27.075 -16.236 35.730
57 HD1 TYR 10 HD1 TYR 10 29.021 -16.839 38.884
58 HD2 TYR 10 HD2 TYR 10 26.551 -14.143 36.628
59 HE1 TYR 10 HE1 TYR 10 29.051 -15.231 40.771
60 HE2 TYR 10 HE2 TYR 10 26.582 -12.536 38.515
61 HH TYR 10 HH TYR 10 27.470 -13.325 41.587
62 H TYR 11 HN TYR 11 24.930 -18.786 37.044
63 HA TYR 11 HA TYR 11 24.922 -20.697 35.010
64 HB2 TYR 11 HB2 TYR 11 22.699 -20.886 35.452
65 HB3 TYR 11 HB1 TYR 11 23.095 -19.853 36.825
66 HD1 TYR 11 HD1 TYR 11 23.015 -17.283 36.423
67 HD2 TYR 11 HD2 TYR 11 21.132 -20.167 33.857
68 HE1 TYR 11 HE1 TYR 11 21.531 -15.512 35.521
69 HE2 TYR 11 HE2 TYR 11 19.648 -18.397 32.956
70 HH TYR 11 HH TYR 11 20.068 -15.512 32.876
71 H GLY 12 HN GLY 12 23.840 -20.595 32.903
72 HA2 GLY 12 HA2 GLY 12 23.084 -18.370 31.481
73 HA3 GLY 12 HA1 GLY 12 24.839 -18.410 31.332
74 H ALA 13 HN ALA 13 21.934 -19.545 30.068
75 HA ALA 13 HA ALA 13 22.732 -22.082 29.061
76 HB1 ALA 13 HB1 ALA 13 20.602 -20.131 28.168
77 HB2 ALA 13 HB2 ALA 13 20.388 -21.564 29.173
78 HB3 ALA 13 HB3 ALA 13 20.810 -21.736 27.469
79 H ASP 14 HN ASP 14 24.956 -21.176 28.444
80 HA ASP 14 HA ASP 14 25.351 -19.495 26.243
81 HB2 ASP 14 HB2 ASP 14 27.464 -21.139 26.012
82 HB3 ASP 14 HB1 ASP 14 27.354 -19.901 27.262
83 H ASN 15 HN ASN 15 23.644 -20.090 24.772
84 HA ASN 15 HA ASN 15 24.518 -22.122 22.874
85 HB2 ASN 15 HB2 ASN 15 23.051 -23.386 24.382
86 HB3 ASN 15 HB1 ASN 15 21.770 -22.200 24.143
87 HD21 ASN 15 HD21 ASN 15 22.525 -25.225 23.192
88 HD22 ASN 15 HD22 ASN 15 21.913 -25.213 21.609
89 H GLN 16 HN GLN 16 21.510 -20.306 23.498
90 HA GLN 16 HA GLN 16 21.305 -19.517 20.737
91 HB2 GLN 16 HB2 GLN 16 19.334 -18.218 21.536
92 HB3 GLN 16 HB1 GLN 16 19.279 -19.916 22.013
93 HG2 GLN 16 HG2 GLN 16 20.709 -18.408 24.007
94 HG3 GLN 16 HG1 GLN 16 19.148 -17.648 23.706
95 HE21 GLN 16 HE21 GLN 16 20.628 -20.821 24.505
96 HE22 GLN 16 HE22 GLN 16 19.254 -21.431 25.291
97 H SER 17 HN SER 17 23.516 -18.582 22.767
98 HA SER 17 HA SER 17 23.217 -15.690 22.620
99 HB2 SER 17 HB2 SER 17 24.218 -16.651 24.623
100 HB3 SER 17 HB1 SER 17 25.464 -17.433 23.656
101 HG SER 17 HG SER 17 25.628 -15.099 24.710
102 H GLU 18 HN GLU 18 23.098 -16.005 20.160
103 HA GLU 18 HA GLU 18 25.768 -16.213 18.944
104 HB2 GLU 18 HB2 GLU 18 23.499 -17.354 18.116
105 HB3 GLU 18 HB1 GLU 18 23.323 -15.803 17.294
106 HG2 GLU 18 HG2 GLU 18 25.826 -16.214 16.597
107 HG3 GLU 18 HG1 GLU 18 25.445 -17.898 16.946
108 H CYS 19 HN CYS 19 26.820 -14.314 19.054
109 HA CYS 19 HA CYS 19 25.846 -12.069 17.569
110 HB2 CYS 19 HB2 CYS 19 25.079 -12.163 20.281
111 HB3 CYS 19 HB1 CYS 19 26.383 -10.981 20.180
112 HG CYS 19 HG CYS 19 24.948 -9.865 18.166
113 H GLU 20 HN GLU 20 27.400 -10.108 18.020
114 HA GLU 20 HA GLU 20 29.546 -9.324 17.774
115 HB2 GLU 20 HB2 GLU 20 29.748 -11.287 20.029
116 HB3 GLU 20 HB1 GLU 20 31.216 -10.542 19.395
117 HG2 GLU 20 HG2 GLU 20 28.843 -8.819 20.046
118 HG3 GLU 20 HG1 GLU 20 29.907 -9.362 21.343
119 H TYR 21 HN TYR 21 28.568 -11.909 16.348
120 HA TYR 21 HA TYR 21 31.143 -13.142 15.695
121 HB2 TYR 21 HB2 TYR 21 29.925 -14.882 14.712
122 HB3 TYR 21 HB1 TYR 21 28.896 -14.399 16.062
123 HD1 TYR 21 HD1 TYR 21 26.892 -12.984 15.675
124 HD2 TYR 21 HD2 TYR 21 29.262 -14.493 12.426
125 HE1 TYR 21 HE1 TYR 21 25.055 -12.463 14.093
126 HE2 TYR 21 HE2 TYR 21 27.425 -13.973 10.844
127 HH TYR 21 HH TYR 21 24.933 -13.677 10.954
128 H THR 22 HN THR 22 29.430 -10.494 14.710
129 HA THR 22 HA THR 22 30.136 -10.761 11.869
130 HB THR 22 HB THR 22 28.487 -8.697 13.346
131 HG1 THR 22 HG1 THR 22 27.853 -10.740 11.484
132 HG21 THR 22 HG21 THR 22 29.394 -7.481 11.563
133 HG22 THR 22 HG22 THR 22 27.905 -8.120 10.865
134 HG23 THR 22 HG23 THR 22 29.450 -8.892 10.504
135 H ASP 23 HN ASP 23 30.702 -8.683 14.686
136 HA ASP 23 HA ASP 23 32.898 -7.357 13.217
137 HB2 ASP 23 HB2 ASP 23 31.165 -6.486 15.520
138 HB3 ASP 23 HB1 ASP 23 32.703 -5.696 15.175
139 H TRP 24 HN TRP 24 32.949 -10.017 14.573
140 HA TRP 24 HA TRP 24 34.212 -10.005 17.035
141 HB2 TRP 24 HB2 TRP 24 35.438 -12.103 16.007
142 HB3 TRP 24 HB1 TRP 24 33.702 -12.136 16.302
143 HD1 TRP 24 HD1 TRP 24 35.060 -10.117 13.382
144 HE1 TRP 24 HE1 TRP 24 34.321 -11.230 11.179
145 HE3 TRP 24 HE3 TRP 24 33.066 -14.449 15.209
146 HZ2 TRP 24 HZ2 TRP 24 33.050 -13.639 10.305
147 HZ3 TRP 24 HZ3 TRP 24 32.099 -16.134 13.669
148 HH2 TRP 24 HH2 TRP 24 32.088 -15.734 11.222
149 H LYS 25 HN LYS 25 36.434 -11.197 14.706
150 HA LYS 25 HA LYS 25 38.430 -9.266 15.625
151 HB2 LYS 25 HB2 LYS 25 40.033 -10.782 14.462
152 HB3 LYS 25 HB1 LYS 25 39.080 -11.597 15.701
153 HG2 LYS 25 HG2 LYS 25 38.184 -13.000 14.186
154 HG3 LYS 25 HG1 LYS 25 37.694 -11.654 13.156
155 HD2 LYS 25 HD2 LYS 25 39.999 -11.533 12.244
156 HD3 LYS 25 HD1 LYS 25 40.450 -12.917 13.239
157 HE2 LYS 25 HE2 LYS 25 38.114 -13.717 11.906
158 HE3 LYS 25 HE1 LYS 25 39.070 -12.875 10.686
159 HZ1 LYS 25 HZ1 LYS 25 39.837 -15.213 12.324
160 HZ2 LYS 25 HZ2 LYS 25 40.998 -14.254 11.539
161 HZ3 LYS 25 HZ3 LYS 25 39.815 -15.073 10.635
162 H SER 26 HN SER 26 37.306 -7.535 14.378
163 HA SER 26 HA SER 26 37.714 -7.658 11.478
164 HB2 SER 26 HB2 SER 26 35.936 -6.297 11.378
165 HB3 SER 26 HB1 SER 26 35.777 -6.462 13.125
166 HG SER 26 HG SER 26 36.029 -4.316 12.765
167 H SER 27 HN SER 27 39.488 -6.836 14.143
168 HA SER 27 HA SER 27 41.420 -5.636 14.462
169 HB2 SER 27 HB2 SER 27 41.805 -5.013 11.604
170 HB3 SER 27 HB1 SER 27 42.906 -5.767 12.754
171 HG SER 27 HG SER 27 42.049 -7.154 11.036
172 H GLY 28 HN GLY 28 38.639 -4.346 13.360
173 HA2 GLY 28 HA2 GLY 28 39.687 -1.608 13.064
174 HA3 GLY 28 HA1 GLY 28 38.072 -2.142 12.610
175 H ALA 29 HN ALA 29 39.434 -3.178 15.628
176 HA ALA 29 HA ALA 29 38.091 -1.070 17.144
177 HB1 ALA 29 HB1 ALA 29 36.718 -3.407 16.591
178 HB2 ALA 29 HB2 ALA 29 36.373 -2.299 17.920
179 HB3 ALA 29 HB3 ALA 29 37.401 -3.708 18.189
180 H LEU 30 HN LEU 30 40.820 -2.463 16.647
181 HA LEU 30 HA LEU 30 41.640 -3.693 19.046
182 HB2 LEU 30 HB2 LEU 30 43.260 -2.101 17.044
183 HB3 LEU 30 HB1 LEU 30 43.932 -3.155 18.288
184 HG LEU 30 HG LEU 30 41.860 -4.295 16.460
185 HD11 LEU 30 HD11 LEU 30 44.768 -3.870 15.701
186 HD12 LEU 30 HD12 LEU 30 43.378 -3.107 14.927
187 HD13 LEU 30 HD13 LEU 30 43.611 -4.851 14.800
188 HD21 LEU 30 HD21 LEU 30 43.182 -5.371 18.492
189 HD22 LEU 30 HD22 LEU 30 44.444 -5.581 17.277
190 HD23 LEU 30 HD23 LEU 30 42.858 -6.315 17.038
191 H ILE 31 HN ILE 31 42.144 -0.335 17.936
192 HA ILE 31 HA ILE 31 42.789 0.427 20.687
193 HB ILE 31 HB ILE 31 43.536 1.386 18.037
194 HG12 ILE 31 HG12 ILE 31 44.998 0.521 19.931
195 HG13 ILE 31 HG11 ILE 31 45.534 2.016 19.171
196 HG21 ILE 31 HG21 ILE 31 43.737 3.789 18.742
197 HG22 ILE 31 HG22 ILE 31 42.682 3.442 20.107
198 HG23 ILE 31 HG23 ILE 31 42.079 3.273 18.457
199 HD11 ILE 31 HD11 ILE 31 43.704 2.407 21.459
200 HD12 ILE 31 HD12 ILE 31 45.207 3.238 21.060
201 HD13 ILE 31 HD13 ILE 31 45.253 1.675 21.873
202 HA PRO 32 HA PRO 32 39.053 3.347 19.378
203 HB2 PRO 32 HB2 PRO 32 37.502 1.306 17.870
204 HB3 PRO 32 HB1 PRO 32 37.699 3.039 17.549
205 HG2 PRO 32 HG2 PRO 32 38.921 1.194 16.065
206 HG3 PRO 32 HG1 PRO 32 39.685 2.747 16.444
207 HD2 PRO 32 HD2 PRO 32 40.243 0.044 17.591
208 HD3 PRO 32 HD1 PRO 32 41.361 1.387 17.268
209 H ALA 33 HN ALA 33 39.326 0.134 20.437
210 HA ALA 33 HA ALA 33 36.729 -0.086 21.683
211 HB1 ALA 33 HB1 ALA 33 37.996 -2.037 22.882
212 HB2 ALA 33 HB2 ALA 33 39.240 -1.728 21.672
213 HB3 ALA 33 HB3 ALA 33 37.611 -2.177 21.167
214 H ILE 34 HN ILE 34 39.956 0.934 22.614
215 HA ILE 34 HA ILE 34 39.164 1.205 25.419
216 HB ILE 34 HB ILE 34 41.785 1.649 23.979
217 HG12 ILE 34 HG12 ILE 34 41.573 -0.252 26.219
218 HG13 ILE 34 HG11 ILE 34 40.573 -0.677 24.829
219 HG21 ILE 34 HG21 ILE 34 40.879 2.300 26.760
220 HG22 ILE 34 HG22 ILE 34 41.988 3.183 25.710
221 HG23 ILE 34 HG23 ILE 34 42.526 1.714 26.524
222 HD11 ILE 34 HD11 ILE 34 43.535 -0.035 24.719
223 HD12 ILE 34 HD12 ILE 34 42.528 -0.496 23.347
224 HD13 ILE 34 HD13 ILE 34 42.840 -1.655 24.640
225 H TYR 35 HN TYR 35 39.377 3.075 22.550
226 HA TYR 35 HA TYR 35 39.778 5.638 23.758
227 HB2 TYR 35 HB2 TYR 35 39.917 4.760 21.215
228 HB3 TYR 35 HB1 TYR 35 38.297 5.456 21.196
229 HD1 TYR 35 HD1 TYR 35 38.044 7.839 22.246
230 HD2 TYR 35 HD2 TYR 35 41.780 6.160 20.951
231 HE1 TYR 35 HE1 TYR 35 39.021 10.115 22.109
232 HE2 TYR 35 HE2 TYR 35 42.755 8.436 20.813
233 HH TYR 35 HH TYR 35 40.971 11.270 21.933
234 H MET 36 HN MET 36 36.957 3.709 22.884
235 HA MET 36 HA MET 36 35.091 5.814 23.580
236 HB2 MET 36 HB2 MET 36 34.757 2.909 22.820
237 HB3 MET 36 HB1 MET 36 33.399 3.947 23.261
238 HG2 MET 36 HG2 MET 36 33.572 5.222 21.351
239 HG3 MET 36 HG1 MET 36 35.316 4.991 21.227
240 HE1 MET 36 HE1 MET 36 34.264 5.053 18.771
241 HE2 MET 36 HE2 MET 36 34.367 3.533 17.887
242 HE3 MET 36 HE3 MET 36 35.764 4.115 18.787
243 H LEU 37 HN LEU 37 36.259 2.787 25.003
244 HA LEU 37 HA LEU 37 34.561 2.554 27.175
245 HB2 LEU 37 HB2 LEU 37 36.346 0.920 26.540
246 HB3 LEU 37 HB1 LEU 37 37.545 2.032 27.194
247 HG LEU 37 HG LEU 37 36.407 1.920 29.410
248 HD11 LEU 37 HD11 LEU 37 34.871 -0.268 29.491
249 HD12 LEU 37 HD12 LEU 37 34.547 0.200 27.822
250 HD13 LEU 37 HD13 LEU 37 34.195 1.320 29.137
251 HD21 LEU 37 HD21 LEU 37 38.236 0.465 29.285
252 HD22 LEU 37 HD22 LEU 37 37.472 -0.546 28.058
253 HD23 LEU 37 HD23 LEU 37 36.925 -0.628 29.734
254 H VAL 38 HN VAL 38 37.250 4.749 26.675
255 HA VAL 38 HA VAL 38 37.184 5.726 29.412
256 HB VAL 38 HB VAL 38 38.704 6.708 26.984
257 HG11 VAL 38 HG11 VAL 38 38.548 7.586 29.841
258 HG12 VAL 38 HG12 VAL 38 38.762 8.553 28.381
259 HG13 VAL 38 HG13 VAL 38 40.118 7.637 29.038
260 HG21 VAL 38 HG21 VAL 38 39.785 5.206 29.372
261 HG22 VAL 38 HG22 VAL 38 40.541 5.447 27.796
262 HG23 VAL 38 HG23 VAL 38 39.164 4.356 27.957
263 H PHE 39 HN PHE 39 35.705 6.445 26.385
264 HA PHE 39 HA PHE 39 35.091 9.202 26.967
265 HB2 PHE 39 HB2 PHE 39 35.275 8.381 24.648
266 HB3 PHE 39 HB1 PHE 39 33.890 7.324 24.917
267 HD1 PHE 39 HD2 PHE 39 34.861 10.925 25.347
268 HD2 PHE 39 HD1 PHE 39 31.776 8.117 24.319
269 HE1 PHE 39 HE2 PHE 39 33.331 12.802 24.811
270 HE2 PHE 39 HE1 PHE 39 30.247 9.993 23.784
271 HZ PHE 39 HZ PHE 39 31.024 12.337 24.029
272 H LEU 40 HN LEU 40 32.990 6.339 26.549
273 HA LEU 40 HA LEU 40 30.707 7.519 27.706
274 HB2 LEU 40 HB2 LEU 40 29.846 5.210 27.863
275 HB3 LEU 40 HB1 LEU 40 30.575 5.526 26.288
276 HG LEU 40 HG LEU 40 32.728 4.636 27.771
277 HD11 LEU 40 HD11 LEU 40 30.981 4.035 29.553
278 HD12 LEU 40 HD12 LEU 40 32.063 2.738 29.047
279 HD13 LEU 40 HD13 LEU 40 30.414 2.803 28.426
280 HD21 LEU 40 HD21 LEU 40 30.786 3.179 25.960
281 HD22 LEU 40 HD22 LEU 40 32.303 2.464 26.505
282 HD23 LEU 40 HD23 LEU 40 32.321 3.924 25.516
283 H LEU 41 HN LEU 41 33.568 6.908 29.176
284 HA LEU 41 HA LEU 41 32.534 5.885 31.696
285 HB2 LEU 41 HB2 LEU 41 35.105 6.093 30.436
286 HB3 LEU 41 HB1 LEU 41 35.168 6.872 32.018
287 HG LEU 41 HG LEU 41 34.049 4.097 31.527
288 HD11 LEU 41 HD11 LEU 41 36.188 3.487 32.859
289 HD12 LEU 41 HD12 LEU 41 36.775 5.077 32.370
290 HD13 LEU 41 HD13 LEU 41 36.368 3.872 31.148
291 HD21 LEU 41 HD21 LEU 41 34.921 4.652 34.211
292 HD22 LEU 41 HD22 LEU 41 33.301 4.243 33.648
293 HD23 LEU 41 HD23 LEU 41 33.819 5.928 33.693
294 H GLY 42 HN GLY 42 33.044 8.915 30.179
295 HA2 GLY 42 HA2 GLY 42 32.425 10.289 32.720
296 HA3 GLY 42 HA1 GLY 42 33.710 10.891 31.677
297 H THR 43 HN THR 43 31.153 9.488 29.949
298 HA THR 43 HA THR 43 29.772 12.068 29.608
299 HB THR 43 HB THR 43 29.827 11.862 27.197
300 HG1 THR 43 HG1 THR 43 29.903 9.821 26.639
301 HG21 THR 43 HG21 THR 43 31.939 12.590 28.711
302 HG22 THR 43 HG22 THR 43 31.964 12.641 26.948
303 HG23 THR 43 HG23 THR 43 32.673 11.269 27.802
304 H THR 44 HN THR 44 28.472 10.658 27.222
305 HA THR 44 HA THR 44 26.459 9.615 26.855
306 HB THR 44 HB THR 44 26.271 7.404 28.280
307 HG1 THR 44 HG1 THR 44 28.116 6.821 29.243
308 HG21 THR 44 HG21 THR 44 28.455 7.913 26.242
309 HG22 THR 44 HG22 THR 44 26.779 7.496 25.884
310 HG23 THR 44 HG23 THR 44 27.828 6.325 26.683
311 H GLY 45 HN GLY 45 26.680 8.598 30.221
312 HA2 GLY 45 HA2 GLY 45 24.405 10.373 30.880
313 HA3 GLY 45 HA1 GLY 45 24.418 8.678 31.357
314 H ASN 46 HN ASN 46 26.838 8.197 32.334
315 HA ASN 46 HA ASN 46 27.895 8.315 34.392
316 HB2 ASN 46 HB2 ASN 46 29.256 10.328 34.625
317 HB3 ASN 46 HB1 ASN 46 29.246 9.795 32.944
318 HD21 ASN 46 HD21 ASN 46 28.160 11.142 31.374
319 HD22 ASN 46 HD22 ASN 46 27.587 12.692 31.760
320 H GLY 47 HN GLY 47 25.004 8.922 34.422
321 HA2 GLY 47 HA2 GLY 47 24.950 10.273 37.029
322 HA3 GLY 47 HA1 GLY 47 23.917 10.907 35.751
323 H LEU 48 HN LEU 48 24.645 7.972 37.603
324 HA LEU 48 HA LEU 48 23.333 6.207 38.254
325 HB2 LEU 48 HB2 LEU 48 22.056 8.334 39.095
326 HB3 LEU 48 HB1 LEU 48 20.896 7.897 37.842
327 HG LEU 48 HG LEU 48 21.186 5.479 38.928
328 HD11 LEU 48 HD11 LEU 48 21.654 5.502 41.251
329 HD12 LEU 48 HD12 LEU 48 21.523 7.258 41.343
330 HD13 LEU 48 HD13 LEU 48 22.909 6.520 40.542
331 HD21 LEU 48 HD21 LEU 48 19.048 6.599 38.758
332 HD22 LEU 48 HD22 LEU 48 19.503 7.757 40.008
333 HD23 LEU 48 HD23 LEU 48 19.239 6.066 40.428
334 H VAL 49 HN VAL 49 23.400 7.316 35.216
335 HA VAL 49 HA VAL 49 21.172 5.851 34.086
336 HB VAL 49 HB VAL 49 23.519 6.833 32.493
337 HG11 VAL 49 HG11 VAL 49 21.782 7.245 30.831
338 HG12 VAL 49 HG12 VAL 49 20.525 6.848 32.004
339 HG13 VAL 49 HG13 VAL 49 21.626 5.593 31.431
340 HG21 VAL 49 HG21 VAL 49 22.194 9.044 32.413
341 HG22 VAL 49 HG22 VAL 49 23.137 8.731 33.870
342 HG23 VAL 49 HG23 VAL 49 21.392 8.475 33.877
343 H LEU 50 HN LEU 50 24.721 5.584 33.794
344 HA LEU 50 HA LEU 50 24.742 3.092 32.508
345 HB2 LEU 50 HB2 LEU 50 27.110 2.935 33.399
346 HB3 LEU 50 HB1 LEU 50 26.740 4.386 32.477
347 HG LEU 50 HG LEU 50 26.287 5.576 34.656
348 HD11 LEU 50 HD11 LEU 50 25.894 4.028 36.327
349 HD12 LEU 50 HD12 LEU 50 27.613 4.311 36.587
350 HD13 LEU 50 HD13 LEU 50 27.082 2.884 35.701
351 HD21 LEU 50 HD21 LEU 50 28.431 5.809 33.476
352 HD22 LEU 50 HD22 LEU 50 29.044 4.370 34.290
353 HD23 LEU 50 HD23 LEU 50 28.681 5.823 35.222
354 H TRP 51 HN TRP 51 23.549 3.746 35.498
355 HA TRP 51 HA TRP 51 24.517 1.384 36.877
356 HB2 TRP 51 HB2 TRP 51 24.052 2.907 38.502
357 HB3 TRP 51 HB1 TRP 51 22.831 3.726 37.529
358 HD1 TRP 51 HD1 TRP 51 20.373 2.627 37.460
359 HE1 TRP 51 HE1 TRP 51 19.149 1.131 39.166
360 HE3 TRP 51 HE3 TRP 51 24.340 1.071 40.275
361 HZ2 TRP 51 HZ2 TRP 51 19.770 -0.509 41.425
362 HZ3 TRP 51 HZ3 TRP 51 23.996 -0.456 42.195
363 HH2 TRP 51 HH2 TRP 51 21.718 -1.248 42.774
364 H THR 52 HN THR 52 21.659 2.395 35.095
365 HA THR 52 HA THR 52 20.097 0.085 35.801
366 HB THR 52 HB THR 52 19.295 2.428 34.974
367 HG1 THR 52 HG1 THR 52 18.110 0.193 33.728
368 HG21 THR 52 HG21 THR 52 19.395 1.054 32.299
369 HG22 THR 52 HG22 THR 52 20.739 2.062 32.835
370 HG23 THR 52 HG23 THR 52 19.130 2.760 32.658
371 H VAL 53 HN VAL 53 22.418 0.896 33.340
372 HA VAL 53 HA VAL 53 21.718 -1.169 31.489
373 HB VAL 53 HB VAL 53 24.257 0.428 31.881
374 HG11 VAL 53 HG11 VAL 53 23.601 -1.867 30.130
375 HG12 VAL 53 HG12 VAL 53 25.173 -1.267 30.657
376 HG13 VAL 53 HG13 VAL 53 24.334 -0.486 29.316
377 HG21 VAL 53 HG21 VAL 53 22.384 1.785 31.155
378 HG22 VAL 53 HG22 VAL 53 21.928 0.587 29.944
379 HG23 VAL 53 HG23 VAL 53 23.421 1.505 29.757
380 H PHE 54 HN PHE 54 24.787 -0.901 33.267
381 HA PHE 54 HA PHE 54 25.692 -3.446 33.091
382 HB2 PHE 54 HB2 PHE 54 27.230 -2.410 34.360
383 HB3 PHE 54 HB1 PHE 54 26.045 -1.268 34.992
384 HD1 PHE 54 HD1 PHE 54 27.396 -4.714 35.385
385 HD2 PHE 54 HD2 PHE 54 25.061 -1.565 37.140
386 HE1 PHE 54 HE1 PHE 54 27.356 -5.945 37.538
387 HE2 PHE 54 HE2 PHE 54 25.020 -2.796 39.294
388 HZ PHE 54 HZ PHE 54 26.168 -4.985 39.493
389 H ARG 55 HN ARG 55 22.903 -2.401 34.845
390 HA ARG 55 HA ARG 55 22.709 -4.767 36.499
391 HB2 ARG 55 HB2 ARG 55 21.785 -2.532 37.165
392 HB3 ARG 55 HB1 ARG 55 20.577 -2.708 35.891
393 HG2 ARG 55 HG2 ARG 55 19.306 -3.862 37.347
394 HG3 ARG 55 HG1 ARG 55 20.522 -5.138 37.314
395 HD2 ARG 55 HD2 ARG 55 20.575 -2.735 39.160
396 HD3 ARG 55 HD1 ARG 55 20.062 -4.355 39.623
397 HE ARG 55 HE ARG 55 22.663 -4.457 38.489
398 HH11 ARG 55 HH21 ARG 55 20.913 -3.420 41.288
399 HH12 ARG 55 HH22 ARG 55 22.252 -3.616 42.369
400 HH21 ARG 55 HH11 ARG 55 24.424 -4.715 39.901
401 HH22 ARG 55 HH12 ARG 55 24.240 -4.348 41.583
402 H LYS 56 HN LYS 56 20.502 -3.438 34.023
403 HA LYS 56 HA LYS 56 18.934 -5.638 33.581
404 HB2 LYS 56 HB2 LYS 56 19.985 -3.771 31.440
405 HB3 LYS 56 HB1 LYS 56 18.543 -4.779 31.320
406 HG2 LYS 56 HG2 LYS 56 18.520 -3.160 33.743
407 HG3 LYS 56 HG1 LYS 56 18.647 -2.163 32.292
408 HD2 LYS 56 HD2 LYS 56 16.692 -3.292 31.322
409 HD3 LYS 56 HD1 LYS 56 16.573 -4.329 32.744
410 HE2 LYS 56 HE2 LYS 56 15.800 -2.619 34.100
411 HE3 LYS 56 HE1 LYS 56 16.605 -1.366 33.156
412 HZ1 LYS 56 HZ1 LYS 56 15.005 -1.789 31.362
413 HZ2 LYS 56 HZ2 LYS 56 14.248 -1.265 32.790
414 HZ3 LYS 56 HZ3 LYS 56 14.198 -2.906 32.351
415 H LYS 57 HN LYS 57 22.011 -4.902 31.943
416 HA LYS 57 HA LYS 57 22.050 -7.470 30.609
417 HB2 LYS 57 HB2 LYS 57 24.468 -5.724 30.805
418 HB3 LYS 57 HB1 LYS 57 23.868 -6.661 29.435
419 HG2 LYS 57 HG2 LYS 57 21.886 -5.054 29.373
420 HG3 LYS 57 HG1 LYS 57 22.790 -4.043 30.499
421 HD2 LYS 57 HD2 LYS 57 23.637 -4.874 27.711
422 HD3 LYS 57 HD1 LYS 57 23.248 -3.244 28.264
423 HE2 LYS 57 HE2 LYS 57 25.157 -3.624 29.994
424 HE3 LYS 57 HE1 LYS 57 25.658 -4.929 28.918
425 HZ1 LYS 57 HZ1 LYS 57 25.527 -3.211 27.088
426 HZ2 LYS 57 HZ2 LYS 57 26.810 -3.046 28.190
427 HZ3 LYS 57 HZ3 LYS 57 25.445 -2.041 28.313
428 H GLY 58 HN GLY 58 21.800 -7.974 33.266
429 HA2 GLY 58 HA2 GLY 58 23.883 -8.199 34.978
430 HA3 GLY 58 HA1 GLY 58 22.709 -9.495 34.766
431 H HIS 59 HN HIS 59 23.511 -9.902 31.948
432 HA HIS 59 HA HIS 59 25.520 -11.878 32.379
433 HB2 HIS 59 HB2 HIS 59 24.874 -10.822 29.651
434 HB3 HIS 59 HB1 HIS 59 25.174 -12.482 30.165
435 HD2 HIS 59 HD2 HIS 59 22.932 -13.624 31.704
436 HE1 HIS 59 HE1 HIS 59 20.138 -10.866 30.151
437 HE2 HIS 59 HE2 HIS 59 20.400 -13.043 31.431
438 H HIS 60 HN HIS 60 25.530 -8.772 30.634
439 HA HIS 60 HA HIS 60 27.254 -7.438 29.912
440 HB2 HIS 60 HB2 HIS 60 27.391 -7.393 32.490
441 HB3 HIS 60 HB1 HIS 60 28.800 -8.435 32.292
442 HD2 HIS 60 HD2 HIS 60 31.125 -7.069 31.630
443 HE1 HIS 60 HE1 HIS 60 29.349 -3.371 30.629
444 HE2 HIS 60 HE2 HIS 60 31.557 -4.586 30.947
445 H HIS 61 HN HIS 61 28.104 -8.195 28.059
446 HA HIS 61 HA HIS 61 30.364 -10.091 28.274
447 HB2 HIS 61 HB2 HIS 61 28.114 -10.050 26.264
448 HB3 HIS 61 HB1 HIS 61 29.641 -10.875 25.955
449 HD2 HIS 61 HD2 HIS 61 26.365 -11.445 27.942
450 HE1 HIS 61 HE1 HIS 61 29.015 -14.552 29.011
451 HE2 HIS 61 HE2 HIS 61 26.619 -13.730 29.181
452 H HIS 62 HN HIS 62 32.055 -9.787 26.768
453 HA HIS 62 HA HIS 62 32.763 -7.148 26.214
454 HB2 HIS 62 HB2 HIS 62 34.121 -9.442 26.166
455 HB3 HIS 62 HB1 HIS 62 33.816 -9.298 24.436
456 HD2 HIS 62 HD2 HIS 62 36.399 -8.076 26.883
457 HE1 HIS 62 HE1 HIS 62 36.381 -5.183 23.809
458 HE2 HIS 62 HE2 HIS 62 37.647 -6.034 25.838
459 H HIS 63 HN HIS 63 31.231 -5.960 25.133
460 HA HIS 63 HA HIS 63 29.973 -6.891 22.727
461 HB2 HIS 63 HB2 HIS 63 28.846 -4.806 22.699
462 HB3 HIS 63 HB1 HIS 63 29.019 -5.214 24.407
463 HD2 HIS 63 HD2 HIS 63 29.465 -2.136 22.433
464 HE1 HIS 63 HE1 HIS 63 32.637 -1.958 25.213
465 HE2 HIS 63 HE2 HIS 63 31.286 -0.620 23.530
466 H HIS 64 HN HIS 64 30.014 -4.912 20.941
467 HA HIS 64 HA HIS 64 32.329 -5.288 19.460
468 HB2 HIS 64 HB2 HIS 64 30.345 -4.427 18.403
469 HB3 HIS 64 HB1 HIS 64 30.362 -2.991 19.426
470 HD2 HIS 64 HD2 HIS 64 31.163 -0.974 17.708
471 HE1 HIS 64 HE1 HIS 64 34.389 -3.000 15.889
472 HE2 HIS 64 HE2 HIS 64 33.153 -0.786 16.029
Start of MODEL 11
1 H1 MET 1 HT1 MET 1 60.245 -3.085 -8.412
2 H2 MET 1 HT2 MET 1 61.366 -2.158 -9.291
3 H3 MET 1 HT3 MET 1 60.578 -1.490 -7.942
4 HA MET 1 HA MET 1 62.061 -3.929 -7.430
5 HB2 MET 1 HB2 MET 1 63.458 -1.304 -8.041
6 HB3 MET 1 HB1 MET 1 64.226 -2.757 -7.399
7 HG2 MET 1 HG2 MET 1 62.711 -3.457 -9.739
8 HG3 MET 1 HG1 MET 1 63.773 -2.102 -10.123
9 HE1 MET 1 HE1 MET 1 64.599 -3.536 -11.795
10 HE2 MET 1 HE2 MET 1 64.314 -5.240 -11.449
11 HE3 MET 1 HE3 MET 1 65.964 -4.646 -11.613
12 H GLU 2 HN GLU 2 63.298 -3.523 -5.340
13 HA GLU 2 HA GLU 2 61.599 -1.896 -3.575
14 HB2 GLU 2 HB2 GLU 2 63.697 -3.879 -2.704
15 HB3 GLU 2 HB1 GLU 2 62.305 -3.287 -1.797
16 HG2 GLU 2 HG2 GLU 2 60.837 -4.357 -3.578
17 HG3 GLU 2 HG1 GLU 2 62.294 -5.137 -4.192
18 H GLU 3 HN GLU 3 62.991 -0.129 -4.826
19 HA GLU 3 HA GLU 3 65.113 0.645 -2.940
20 HB2 GLU 3 HB2 GLU 3 65.353 0.379 -5.921
21 HB3 GLU 3 HB1 GLU 3 66.307 1.588 -5.062
22 HG2 GLU 3 HG2 GLU 3 66.234 -1.272 -4.117
23 HG3 GLU 3 HG1 GLU 3 67.340 -0.773 -5.397
24 H GLY 4 HN GLY 4 63.391 2.016 -2.124
25 HA2 GLY 4 HA2 GLY 4 63.526 4.647 -2.617
26 HA3 GLY 4 HA1 GLY 4 62.388 4.129 -3.858
27 H GLY 5 HN GLY 5 60.798 2.338 -2.719
28 HA2 GLY 5 HA2 GLY 5 58.950 2.102 -1.369
29 HA3 GLY 5 HA1 GLY 5 59.959 2.739 -0.075
30 H ASP 6 HN ASP 6 57.306 3.352 -0.069
31 HA ASP 6 HA ASP 6 57.383 6.248 -0.409
32 HB2 ASP 6 HB2 ASP 6 55.756 4.432 -2.083
33 HB3 ASP 6 HB1 ASP 6 54.904 5.821 -1.411
34 H PHE 7 HN PHE 7 56.521 7.168 1.337
35 HA PHE 7 HA PHE 7 55.458 5.733 3.490
36 HB2 PHE 7 HB2 PHE 7 55.494 8.630 2.722
37 HB3 PHE 7 HB1 PHE 7 54.523 8.112 4.101
38 HD1 PHE 7 HD2 PHE 7 57.942 8.354 2.728
39 HD2 PHE 7 HD1 PHE 7 55.554 7.250 6.123
40 HE1 PHE 7 HE2 PHE 7 59.984 8.253 4.131
41 HE2 PHE 7 HE1 PHE 7 57.596 7.149 7.527
42 HZ PHE 7 HZ PHE 7 59.812 7.651 6.531
43 H ASP 8 HN ASP 8 53.395 5.319 4.204
44 HA ASP 8 HA ASP 8 51.093 6.292 2.717
45 HB2 ASP 8 HB2 ASP 8 51.932 4.262 1.464
46 HB3 ASP 8 HB1 ASP 8 51.565 3.312 2.903
47 H ASN 9 HN ASN 9 51.718 6.880 5.290
48 HA ASN 9 HA ASN 9 49.624 5.434 6.767
49 HB2 ASN 9 HB2 ASN 9 51.771 4.464 7.468
50 HB3 ASN 9 HB1 ASN 9 52.372 6.072 7.865
51 HD21 ASN 9 HD21 ASN 9 52.144 6.601 10.036
52 HD22 ASN 9 HD22 ASN 9 50.957 5.970 11.073
53 H TYR 10 HN TYR 10 49.254 7.861 5.531
54 HA TYR 10 HA TYR 10 49.852 10.162 7.000
55 HB2 TYR 10 HB2 TYR 10 47.815 9.390 4.990
56 HB3 TYR 10 HB1 TYR 10 47.436 10.800 5.980
57 HD1 TYR 10 HD2 TYR 10 50.147 9.312 3.875
58 HD2 TYR 10 HD1 TYR 10 48.417 12.887 5.510
59 HE1 TYR 10 HE2 TYR 10 51.706 10.685 2.522
60 HE2 TYR 10 HE1 TYR 10 49.976 14.260 4.156
61 HH TYR 10 HH TYR 10 52.651 12.866 2.459
62 H TYR 11 HN TYR 11 48.104 11.510 8.127
63 HA TYR 11 HA TYR 11 47.384 10.276 10.535
64 HB2 TYR 11 HB2 TYR 11 45.754 12.333 10.641
65 HB3 TYR 11 HB1 TYR 11 47.498 12.591 10.687
66 HD1 TYR 11 HD2 TYR 11 44.582 12.443 8.357
67 HD2 TYR 11 HD1 TYR 11 48.573 13.882 9.030
68 HE1 TYR 11 HE2 TYR 11 44.436 13.809 6.292
69 HE2 TYR 11 HE1 TYR 11 48.427 15.249 6.966
70 HH TYR 11 HH TYR 11 45.646 16.028 5.470
71 H GLY 12 HN GLY 12 45.118 10.129 11.395
72 HA2 GLY 12 HA2 GLY 12 43.463 8.670 9.452
73 HA3 GLY 12 HA1 GLY 12 43.341 8.558 11.205
74 H ALA 13 HN ALA 13 41.315 9.190 11.677
75 HA ALA 13 HA ALA 13 39.407 10.470 11.785
76 HB1 ALA 13 HB1 ALA 13 39.755 12.838 12.106
77 HB2 ALA 13 HB2 ALA 13 41.326 12.760 11.307
78 HB3 ALA 13 HB3 ALA 13 41.091 11.978 12.870
79 H ASP 14 HN ASP 14 39.280 9.335 9.479
80 HA ASP 14 HA ASP 14 38.479 11.472 7.618
81 HB2 ASP 14 HB2 ASP 14 40.785 10.292 7.121
82 HB3 ASP 14 HB1 ASP 14 39.752 9.000 6.514
83 H ASN 15 HN ASN 15 36.787 10.070 9.329
84 HA ASN 15 HA ASN 15 35.038 8.795 7.389
85 HB2 ASN 15 HB2 ASN 15 36.168 7.302 9.761
86 HB3 ASN 15 HB1 ASN 15 34.714 6.796 8.902
87 HD21 ASN 15 HD21 ASN 15 38.230 7.122 8.628
88 HD22 ASN 15 HD22 ASN 15 38.372 6.231 7.191
89 H GLN 16 HN GLN 16 34.799 11.218 8.763
90 HA GLN 16 HA GLN 16 33.188 10.907 11.122
91 HB2 GLN 16 HB2 GLN 16 32.708 13.369 10.712
92 HB3 GLN 16 HB1 GLN 16 34.408 12.947 10.923
93 HG2 GLN 16 HG2 GLN 16 33.598 12.704 8.140
94 HG3 GLN 16 HG1 GLN 16 33.296 14.328 8.756
95 HE21 GLN 16 HE21 GLN 16 35.914 11.836 8.900
96 HE22 GLN 16 HE22 GLN 16 37.179 12.958 8.756
97 H SER 17 HN SER 17 32.371 9.555 8.557
98 HA SER 17 HA SER 17 29.579 10.489 8.592
99 HB2 SER 17 HB2 SER 17 30.709 11.455 6.592
100 HB3 SER 17 HB1 SER 17 31.102 9.823 6.062
101 HG SER 17 HG SER 17 28.504 10.876 6.540
102 H GLU 18 HN GLU 18 28.386 8.778 6.950
103 HA GLU 18 HA GLU 18 28.482 6.300 8.378
104 HB2 GLU 18 HB2 GLU 18 26.459 7.433 7.224
105 HB3 GLU 18 HB1 GLU 18 27.074 6.688 5.749
106 HG2 GLU 18 HG2 GLU 18 27.063 4.477 6.921
107 HG3 GLU 18 HG1 GLU 18 26.302 5.258 8.306
108 H CYS 19 HN CYS 19 30.924 6.194 7.767
109 HA CYS 19 HA CYS 19 31.131 4.342 5.485
110 HB2 CYS 19 HB2 CYS 19 32.052 6.895 5.264
111 HB3 CYS 19 HB1 CYS 19 33.478 6.081 5.909
112 HG CYS 19 HG CYS 19 33.744 5.536 3.464
113 H GLU 20 HN GLU 20 33.672 3.583 5.593
114 HA GLU 20 HA GLU 20 35.151 2.225 6.708
115 HB2 GLU 20 HB2 GLU 20 34.885 4.542 8.255
116 HB3 GLU 20 HB1 GLU 20 34.730 3.210 9.401
117 HG2 GLU 20 HG2 GLU 20 36.807 2.203 8.451
118 HG3 GLU 20 HG1 GLU 20 36.983 3.619 7.415
119 H TYR 21 HN TYR 21 31.937 2.108 7.092
120 HA TYR 21 HA TYR 21 31.635 0.379 9.351
121 HB2 TYR 21 HB2 TYR 21 29.397 0.371 8.836
122 HB3 TYR 21 HB1 TYR 21 29.879 1.821 7.957
123 HD1 TYR 21 HD1 TYR 21 30.652 1.499 5.493
124 HD2 TYR 21 HD2 TYR 21 28.380 -1.408 7.690
125 HE1 TYR 21 HE1 TYR 21 29.934 0.452 3.362
126 HE2 TYR 21 HE2 TYR 21 27.661 -2.457 5.560
127 HH TYR 21 HH TYR 21 27.620 -2.245 3.331
128 H THR 22 HN THR 22 33.493 -0.217 6.892
129 HA THR 22 HA THR 22 32.496 -2.915 6.269
130 HB THR 22 HB THR 22 34.679 -1.228 5.029
131 HG1 THR 22 HG1 THR 22 32.132 -1.264 4.672
132 HG21 THR 22 HG21 THR 22 33.897 -4.110 4.653
133 HG22 THR 22 HG22 THR 22 35.510 -3.413 4.807
134 HG23 THR 22 HG23 THR 22 34.589 -3.187 3.320
135 H ASP 23 HN ASP 23 35.116 -1.194 7.841
136 HA ASP 23 HA ASP 23 36.594 -3.665 8.338
137 HB2 ASP 23 HB2 ASP 23 38.382 -2.339 8.920
138 HB3 ASP 23 HB1 ASP 23 37.535 -1.238 7.835
139 H TRP 24 HN TRP 24 33.885 -3.076 9.497
140 HA TRP 24 HA TRP 24 33.821 -2.381 12.134
141 HB2 TRP 24 HB2 TRP 24 32.144 -4.472 12.249
142 HB3 TRP 24 HB1 TRP 24 31.731 -2.971 11.429
143 HD1 TRP 24 HD1 TRP 24 34.195 -5.535 9.992
144 HE1 TRP 24 HE1 TRP 24 33.226 -6.458 7.792
145 HE3 TRP 24 HE3 TRP 24 29.578 -3.354 10.082
146 HZ2 TRP 24 HZ2 TRP 24 30.810 -6.293 6.268
147 HZ3 TRP 24 HZ3 TRP 24 27.964 -3.753 8.244
148 HH2 TRP 24 HH2 TRP 24 28.574 -5.219 6.339
149 H LYS 25 HN LYS 25 33.452 -5.824 11.848
150 HA LYS 25 HA LYS 25 35.355 -6.207 14.022
151 HB2 LYS 25 HB2 LYS 25 34.511 -8.579 13.915
152 HB3 LYS 25 HB1 LYS 25 33.274 -7.369 14.255
153 HG2 LYS 25 HG2 LYS 25 32.136 -7.935 12.399
154 HG3 LYS 25 HG1 LYS 25 33.572 -7.693 11.402
155 HD2 LYS 25 HD2 LYS 25 34.366 -9.959 12.022
156 HD3 LYS 25 HD1 LYS 25 32.895 -10.202 12.966
157 HE2 LYS 25 HE2 LYS 25 32.207 -9.278 10.321
158 HE3 LYS 25 HE1 LYS 25 33.257 -10.691 10.202
159 HZ1 LYS 25 HZ1 LYS 25 31.196 -10.874 12.220
160 HZ2 LYS 25 HZ2 LYS 25 31.706 -12.023 11.078
161 HZ3 LYS 25 HZ3 LYS 25 30.614 -10.801 10.628
162 H SER 26 HN SER 26 36.815 -5.395 11.956
163 HA SER 26 HA SER 26 37.840 -7.773 10.565
164 HB2 SER 26 HB2 SER 26 37.713 -4.918 9.973
165 HB3 SER 26 HB1 SER 26 39.317 -5.592 9.702
166 HG SER 26 HG SER 26 38.378 -6.165 7.881
167 H SER 27 HN SER 27 39.212 -4.911 12.214
168 HA SER 27 HA SER 27 40.848 -6.390 13.979
169 HB2 SER 27 HB2 SER 27 42.051 -5.634 11.339
170 HB3 SER 27 HB1 SER 27 43.051 -5.633 12.788
171 HG SER 27 HG SER 27 42.092 -7.714 11.334
172 H GLY 28 HN GLY 28 40.281 -3.449 12.155
173 HA2 GLY 28 HA2 GLY 28 41.861 -1.603 13.462
174 HA3 GLY 28 HA1 GLY 28 40.256 -1.244 12.832
175 H ALA 29 HN ALA 29 39.511 -3.584 14.851
176 HA ALA 29 HA ALA 29 38.572 -1.815 16.905
177 HB1 ALA 29 HB1 ALA 29 37.837 -4.010 17.975
178 HB2 ALA 29 HB2 ALA 29 38.493 -4.811 16.547
179 HB3 ALA 29 HB3 ALA 29 37.167 -3.659 16.382
180 H LEU 30 HN LEU 30 41.552 -2.245 16.478
181 HA LEU 30 HA LEU 30 42.260 -3.192 19.186
182 HB2 LEU 30 HB2 LEU 30 43.846 -3.012 16.624
183 HB3 LEU 30 HB1 LEU 30 44.612 -3.261 18.193
184 HG LEU 30 HG LEU 30 42.307 -5.019 17.440
185 HD11 LEU 30 HD11 LEU 30 43.750 -5.035 15.440
186 HD12 LEU 30 HD12 LEU 30 43.862 -6.570 16.302
187 HD13 LEU 30 HD13 LEU 30 45.154 -5.379 16.451
188 HD21 LEU 30 HD21 LEU 30 43.790 -4.895 19.658
189 HD22 LEU 30 HD22 LEU 30 44.868 -5.915 18.706
190 HD23 LEU 30 HD23 LEU 30 43.215 -6.440 19.030
191 H ILE 31 HN ILE 31 41.193 -0.795 19.351
192 HA ILE 31 HA ILE 31 43.003 0.835 20.597
193 HB ILE 31 HB ILE 31 43.288 1.093 17.725
194 HG12 ILE 31 HG12 ILE 31 45.080 0.974 19.500
195 HG13 ILE 31 HG11 ILE 31 45.281 2.300 18.361
196 HG21 ILE 31 HG21 ILE 31 41.639 2.896 17.826
197 HG22 ILE 31 HG22 ILE 31 43.245 3.575 17.611
198 HG23 ILE 31 HG23 ILE 31 42.477 3.632 19.192
199 HD11 ILE 31 HD11 ILE 31 45.080 3.845 19.995
200 HD12 ILE 31 HD12 ILE 31 45.251 2.512 21.137
201 HD13 ILE 31 HD13 ILE 31 43.646 3.066 20.663
202 HA PRO 32 HA PRO 32 38.947 3.262 19.517
203 HB2 PRO 32 HB2 PRO 32 37.188 1.182 18.411
204 HB3 PRO 32 HB1 PRO 32 37.550 2.799 17.781
205 HG2 PRO 32 HG2 PRO 32 38.430 0.545 16.601
206 HG3 PRO 32 HG1 PRO 32 39.334 2.069 16.560
207 HD2 PRO 32 HD2 PRO 32 39.802 -0.355 18.263
208 HD3 PRO 32 HD1 PRO 32 40.987 0.714 17.480
209 H ALA 33 HN ALA 33 38.615 -0.197 20.265
210 HA ALA 33 HA ALA 33 36.429 -0.036 22.014
211 HB1 ALA 33 HB1 ALA 33 38.696 -1.968 22.435
212 HB2 ALA 33 HB2 ALA 33 37.628 -2.116 21.039
213 HB3 ALA 33 HB3 ALA 33 36.967 -2.223 22.670
214 H ILE 34 HN ILE 34 39.609 1.128 22.366
215 HA ILE 34 HA ILE 34 39.423 1.178 25.303
216 HB ILE 34 HB ILE 34 41.673 1.569 23.348
217 HG12 ILE 34 HG12 ILE 34 42.723 -0.142 24.788
218 HG13 ILE 34 HG11 ILE 34 41.310 -0.122 25.844
219 HG21 ILE 34 HG21 ILE 34 42.090 3.394 24.774
220 HG22 ILE 34 HG22 ILE 34 43.005 2.087 25.525
221 HG23 ILE 34 HG23 ILE 34 41.438 2.559 26.184
222 HD11 ILE 34 HD11 ILE 34 39.952 -1.175 24.279
223 HD12 ILE 34 HD12 ILE 34 41.506 -1.930 23.926
224 HD13 ILE 34 HD13 ILE 34 40.916 -0.613 22.913
225 H TYR 35 HN TYR 35 39.263 3.188 22.475
226 HA TYR 35 HA TYR 35 39.651 5.692 23.826
227 HB2 TYR 35 HB2 TYR 35 39.489 4.840 21.164
228 HB3 TYR 35 HB1 TYR 35 38.090 5.889 21.393
229 HD1 TYR 35 HD2 TYR 35 38.502 8.163 22.583
230 HD2 TYR 35 HD1 TYR 35 41.619 5.776 20.838
231 HE1 TYR 35 HE2 TYR 35 39.977 10.154 22.494
232 HE2 TYR 35 HE1 TYR 35 43.094 7.768 20.749
233 HH TYR 35 HH TYR 35 42.045 10.842 20.981
234 H MET 36 HN MET 36 36.809 3.901 22.650
235 HA MET 36 HA MET 36 34.920 5.827 23.601
236 HB2 MET 36 HB2 MET 36 34.583 2.919 22.826
237 HB3 MET 36 HB1 MET 36 33.255 4.033 23.155
238 HG2 MET 36 HG2 MET 36 33.465 5.056 21.144
239 HG3 MET 36 HG1 MET 36 35.225 5.098 21.254
240 HE1 MET 36 HE1 MET 36 35.264 3.328 17.977
241 HE2 MET 36 HE2 MET 36 36.250 4.229 19.126
242 HE3 MET 36 HE3 MET 36 34.681 4.862 18.635
243 H LEU 37 HN LEU 37 36.378 2.908 24.920
244 HA LEU 37 HA LEU 37 34.671 2.511 27.115
245 HB2 LEU 37 HB2 LEU 37 37.358 1.651 26.299
246 HB3 LEU 37 HB1 LEU 37 37.149 1.744 28.047
247 HG LEU 37 HG LEU 37 36.546 -0.495 27.066
248 HD11 LEU 37 HD11 LEU 37 35.232 -0.654 28.882
249 HD12 LEU 37 HD12 LEU 37 33.927 0.155 28.016
250 HD13 LEU 37 HD13 LEU 37 35.093 1.103 28.936
251 HD21 LEU 37 HD21 LEU 37 35.019 -0.712 25.395
252 HD22 LEU 37 HD22 LEU 37 35.343 0.995 25.097
253 HD23 LEU 37 HD23 LEU 37 33.958 0.519 26.079
254 H VAL 38 HN VAL 38 37.003 4.954 26.478
255 HA VAL 38 HA VAL 38 37.047 5.778 29.310
256 HB VAL 38 HB VAL 38 38.749 6.689 26.977
257 HG11 VAL 38 HG11 VAL 38 40.113 7.599 29.006
258 HG12 VAL 38 HG12 VAL 38 38.586 7.476 29.879
259 HG13 VAL 38 HG13 VAL 38 38.708 8.513 28.459
260 HG21 VAL 38 HG21 VAL 38 39.511 5.034 29.399
261 HG22 VAL 38 HG22 VAL 38 40.505 5.380 27.984
262 HG23 VAL 38 HG23 VAL 38 39.097 4.328 27.837
263 H PHE 39 HN PHE 39 35.679 6.521 26.263
264 HA PHE 39 HA PHE 39 35.234 9.329 26.762
265 HB2 PHE 39 HB2 PHE 39 35.324 7.976 24.486
266 HB3 PHE 39 HB1 PHE 39 33.598 7.785 24.796
267 HD1 PHE 39 HD1 PHE 39 32.292 9.956 25.455
268 HD2 PHE 39 HD2 PHE 39 36.106 9.943 23.479
269 HE1 PHE 39 HE1 PHE 39 31.891 12.272 24.665
270 HE2 PHE 39 HE2 PHE 39 35.704 12.259 22.688
271 HZ PHE 39 HZ PHE 39 33.596 13.424 23.281
272 H LEU 40 HN LEU 40 32.900 6.672 26.264
273 HA LEU 40 HA LEU 40 30.689 7.971 27.353
274 HB2 LEU 40 HB2 LEU 40 29.718 5.716 27.628
275 HB3 LEU 40 HB1 LEU 40 30.503 5.898 26.059
276 HG LEU 40 HG LEU 40 32.571 5.009 27.656
277 HD11 LEU 40 HD11 LEU 40 30.158 3.329 28.360
278 HD12 LEU 40 HD12 LEU 40 30.752 4.606 29.422
279 HD13 LEU 40 HD13 LEU 40 31.786 3.231 29.032
280 HD21 LEU 40 HD21 LEU 40 32.241 2.863 26.461
281 HD22 LEU 40 HD22 LEU 40 32.021 4.240 25.380
282 HD23 LEU 40 HD23 LEU 40 30.616 3.376 26.004
283 H LEU 41 HN LEU 41 33.235 6.109 28.930
284 HA LEU 41 HA LEU 41 32.137 5.735 31.450
285 HB2 LEU 41 HB2 LEU 41 34.775 5.712 30.278
286 HB3 LEU 41 HB1 LEU 41 34.825 6.443 31.882
287 HG LEU 41 HG LEU 41 33.461 3.806 31.276
288 HD11 LEU 41 HD11 LEU 41 36.263 4.443 31.580
289 HD12 LEU 41 HD12 LEU 41 35.513 2.877 31.268
290 HD13 LEU 41 HD13 LEU 41 35.726 3.438 32.926
291 HD21 LEU 41 HD21 LEU 41 33.325 5.586 33.469
292 HD22 LEU 41 HD22 LEU 41 34.343 4.245 33.995
293 HD23 LEU 41 HD23 LEU 41 32.712 3.933 33.399
294 H GLY 42 HN GLY 42 33.574 8.621 30.035
295 HA2 GLY 42 HA2 GLY 42 33.144 10.110 32.535
296 HA3 GLY 42 HA1 GLY 42 34.082 10.665 31.151
297 H THR 43 HN THR 43 31.362 9.271 29.927
298 HA THR 43 HA THR 43 29.739 11.725 30.103
299 HB THR 43 HB THR 43 30.063 10.262 27.496
300 HG1 THR 43 HG1 THR 43 31.890 11.232 27.144
301 HG21 THR 43 HG21 THR 43 29.658 13.188 27.681
302 HG22 THR 43 HG22 THR 43 28.331 12.200 28.292
303 HG23 THR 43 HG23 THR 43 28.881 12.006 26.628
304 H THR 44 HN THR 44 28.090 10.438 27.899
305 HA THR 44 HA THR 44 26.276 9.036 27.698
306 HB THR 44 HB THR 44 26.887 7.291 29.968
307 HG1 THR 44 HG1 THR 44 28.874 8.181 28.301
308 HG21 THR 44 HG21 THR 44 26.612 5.584 28.279
309 HG22 THR 44 HG22 THR 44 26.798 6.770 26.986
310 HG23 THR 44 HG23 THR 44 25.370 6.809 28.020
311 H GLY 45 HN GLY 45 27.081 10.709 30.510
312 HA2 GLY 45 HA2 GLY 45 24.949 11.860 31.368
313 HA3 GLY 45 HA1 GLY 45 24.452 10.214 31.750
314 H ASN 46 HN ASN 46 27.748 11.411 32.019
315 HA ASN 46 HA ASN 46 27.512 11.449 34.956
316 HB2 ASN 46 HB2 ASN 46 29.595 9.940 33.361
317 HB3 ASN 46 HB1 ASN 46 29.669 10.207 35.101
318 HD21 ASN 46 HD21 ASN 46 27.601 8.719 32.567
319 HD22 ASN 46 HD22 ASN 46 26.905 7.567 33.601
320 H GLY 47 HN GLY 47 27.618 13.741 34.762
321 HA2 GLY 47 HA2 GLY 47 30.031 14.945 35.224
322 HA3 GLY 47 HA1 GLY 47 29.844 15.031 33.476
323 H LEU 48 HN LEU 48 26.837 15.126 33.907
324 HA LEU 48 HA LEU 48 26.567 17.847 34.997
325 HB2 LEU 48 HB2 LEU 48 26.458 17.138 32.208
326 HB3 LEU 48 HB1 LEU 48 24.880 17.721 32.739
327 HG LEU 48 HG LEU 48 27.490 19.161 33.287
328 HD11 LEU 48 HD11 LEU 48 25.369 19.649 31.173
329 HD12 LEU 48 HD12 LEU 48 27.036 19.153 30.884
330 HD13 LEU 48 HD13 LEU 48 26.694 20.754 31.540
331 HD21 LEU 48 HD21 LEU 48 24.894 19.383 34.399
332 HD22 LEU 48 HD22 LEU 48 25.086 20.760 33.314
333 HD23 LEU 48 HD23 LEU 48 26.247 20.493 34.615
334 H VAL 49 HN VAL 49 25.332 14.700 34.432
335 HA VAL 49 HA VAL 49 22.586 15.328 35.111
336 HB VAL 49 HB VAL 49 23.841 12.586 35.076
337 HG11 VAL 49 HG11 VAL 49 21.309 13.441 35.711
338 HG12 VAL 49 HG12 VAL 49 21.697 11.832 35.101
339 HG13 VAL 49 HG13 VAL 49 21.147 13.086 33.990
340 HG21 VAL 49 HG21 VAL 49 24.498 13.561 32.981
341 HG22 VAL 49 HG22 VAL 49 22.924 14.329 32.773
342 HG23 VAL 49 HG23 VAL 49 23.074 12.576 32.644
343 H LEU 50 HN LEU 50 25.496 14.449 36.768
344 HA LEU 50 HA LEU 50 24.022 13.776 39.219
345 HB2 LEU 50 HB2 LEU 50 26.511 13.425 40.010
346 HB3 LEU 50 HB1 LEU 50 25.716 12.215 39.004
347 HG LEU 50 HG LEU 50 26.745 13.155 36.995
348 HD11 LEU 50 HD11 LEU 50 27.751 15.227 38.951
349 HD12 LEU 50 HD12 LEU 50 26.861 15.484 37.451
350 HD13 LEU 50 HD13 LEU 50 28.543 14.955 37.400
351 HD21 LEU 50 HD21 LEU 50 29.234 13.125 38.403
352 HD22 LEU 50 HD22 LEU 50 28.504 11.827 37.457
353 HD23 LEU 50 HD23 LEU 50 28.157 11.965 39.181
354 H TRP 51 HN TRP 51 24.867 16.517 37.767
355 HA TRP 51 HA TRP 51 26.053 17.857 40.082
356 HB2 TRP 51 HB2 TRP 51 27.005 19.104 38.485
357 HB3 TRP 51 HB1 TRP 51 26.050 18.290 37.246
358 HD1 TRP 51 HD1 TRP 51 23.559 19.312 36.780
359 HE1 TRP 51 HE1 TRP 51 22.726 21.748 36.925
360 HE3 TRP 51 HE3 TRP 51 27.263 21.339 39.651
361 HZ2 TRP 51 HZ2 TRP 51 23.528 24.228 38.104
362 HZ3 TRP 51 HZ3 TRP 51 27.204 23.738 40.269
363 HH2 TRP 51 HH2 TRP 51 25.342 25.184 39.499
364 H THR 52 HN THR 52 23.025 17.598 38.347
365 HA THR 52 HA THR 52 21.794 19.809 39.764
366 HB THR 52 HB THR 52 20.862 17.799 37.735
367 HG1 THR 52 HG1 THR 52 20.366 20.532 37.654
368 HG21 THR 52 HG21 THR 52 19.199 19.485 39.591
369 HG22 THR 52 HG22 THR 52 18.960 17.805 39.111
370 HG23 THR 52 HG23 THR 52 18.622 19.105 37.969
371 H VAL 53 HN VAL 53 22.030 16.336 40.048
372 HA VAL 53 HA VAL 53 19.843 15.844 41.746
373 HB VAL 53 HB VAL 53 22.521 14.471 41.472
374 HG11 VAL 53 HG11 VAL 53 20.242 14.012 43.344
375 HG12 VAL 53 HG12 VAL 53 21.963 13.704 43.574
376 HG13 VAL 53 HG13 VAL 53 20.990 12.593 42.612
377 HG21 VAL 53 HG21 VAL 53 21.051 14.326 39.517
378 HG22 VAL 53 HG22 VAL 53 19.708 13.816 40.540
379 HG23 VAL 53 HG23 VAL 53 21.106 12.762 40.331
380 H PHE 54 HN PHE 54 23.205 16.732 42.480
381 HA PHE 54 HA PHE 54 22.865 16.679 45.314
382 HB2 PHE 54 HB2 PHE 54 25.098 16.680 45.060
383 HB3 PHE 54 HB1 PHE 54 24.981 17.308 43.416
384 HD1 PHE 54 HD2 PHE 54 24.878 18.309 47.008
385 HD2 PHE 54 HD1 PHE 54 25.408 19.591 42.942
386 HE1 PHE 54 HE2 PHE 54 25.597 20.544 47.805
387 HE2 PHE 54 HE1 PHE 54 26.128 21.825 43.741
388 HZ PHE 54 HZ PHE 54 26.222 22.302 46.172
389 H ARG 55 HN ARG 55 22.045 18.934 42.856
390 HA ARG 55 HA ARG 55 22.016 21.256 44.590
391 HB2 ARG 55 HB2 ARG 55 21.009 20.777 41.778
392 HB3 ARG 55 HB1 ARG 55 20.879 22.326 42.611
393 HG2 ARG 55 HG2 ARG 55 23.567 21.125 42.717
394 HG3 ARG 55 HG1 ARG 55 23.032 21.559 41.094
395 HD2 ARG 55 HD2 ARG 55 24.238 23.387 42.438
396 HD3 ARG 55 HD1 ARG 55 22.709 23.831 41.685
397 HE ARG 55 HE ARG 55 21.940 23.025 44.158
398 HH11 ARG 55 HH21 ARG 55 24.388 25.165 42.979
399 HH12 ARG 55 HH22 ARG 55 24.343 26.204 44.365
400 HH21 ARG 55 HH11 ARG 55 21.874 24.381 45.979
401 HH22 ARG 55 HH12 ARG 55 22.920 25.759 46.064
402 H LYS 56 HN LYS 56 19.491 19.450 42.817
403 HA LYS 56 HA LYS 56 17.257 20.642 43.926
404 HB2 LYS 56 HB2 LYS 56 17.515 17.694 43.290
405 HB3 LYS 56 HB1 LYS 56 16.034 18.652 43.307
406 HG2 LYS 56 HG2 LYS 56 17.864 20.004 41.609
407 HG3 LYS 56 HG1 LYS 56 17.910 18.298 41.157
408 HD2 LYS 56 HD2 LYS 56 15.403 18.312 41.069
409 HD3 LYS 56 HD1 LYS 56 15.446 20.053 41.355
410 HE2 LYS 56 HE2 LYS 56 16.969 20.221 39.317
411 HE3 LYS 56 HE1 LYS 56 16.553 18.541 38.981
412 HZ1 LYS 56 HZ1 LYS 56 14.139 19.568 39.374
413 HZ2 LYS 56 HZ2 LYS 56 14.882 19.502 37.847
414 HZ3 LYS 56 HZ3 LYS 56 14.926 20.937 38.755
415 H LYS 57 HN LYS 57 18.948 17.732 45.117
416 HA LYS 57 HA LYS 57 17.349 17.530 47.481
417 HB2 LYS 57 HB2 LYS 57 19.899 16.244 46.538
418 HB3 LYS 57 HB1 LYS 57 19.316 15.992 48.183
419 HG2 LYS 57 HG2 LYS 57 18.521 14.240 46.578
420 HG3 LYS 57 HG1 LYS 57 17.204 15.118 47.357
421 HD2 LYS 57 HD2 LYS 57 16.770 16.411 45.419
422 HD3 LYS 57 HD1 LYS 57 18.317 15.985 44.687
423 HE2 LYS 57 HE2 LYS 57 16.358 14.756 43.696
424 HE3 LYS 57 HE1 LYS 57 17.602 13.695 44.358
425 HZ1 LYS 57 HZ1 LYS 57 15.375 13.017 45.034
426 HZ2 LYS 57 HZ2 LYS 57 15.126 14.529 45.770
427 HZ3 LYS 57 HZ3 LYS 57 16.312 13.472 46.373
428 H GLY 58 HN GLY 58 17.879 20.058 47.662
429 HA2 GLY 58 HA2 GLY 58 20.356 20.733 48.943
430 HA3 GLY 58 HA1 GLY 58 18.930 21.758 48.826
431 H HIS 59 HN HIS 59 18.990 18.511 50.192
432 HA HIS 59 HA HIS 59 18.097 19.640 52.759
433 HB2 HIS 59 HB2 HIS 59 18.016 16.755 51.854
434 HB3 HIS 59 HB1 HIS 59 17.183 17.466 53.237
435 HD2 HIS 59 HD2 HIS 59 15.844 16.233 50.183
436 HE1 HIS 59 HE1 HIS 59 14.163 20.105 50.245
437 HE2 HIS 59 HE2 HIS 59 14.007 17.800 49.190
438 H HIS 60 HN HIS 60 20.275 17.107 51.503
439 HA HIS 60 HA HIS 60 22.058 16.035 52.522
440 HB2 HIS 60 HB2 HIS 60 23.867 17.502 52.928
441 HB3 HIS 60 HB1 HIS 60 22.877 18.333 51.728
442 HD2 HIS 60 HD2 HIS 60 23.923 18.736 55.481
443 HE1 HIS 60 HE1 HIS 60 21.517 22.046 54.445
444 HE2 HIS 60 HE2 HIS 60 23.014 21.061 56.244
445 H HIS 61 HN HIS 61 19.638 16.446 54.222
446 HA HIS 61 HA HIS 61 20.348 17.135 56.856
447 HB2 HIS 61 HB2 HIS 61 18.113 15.784 55.520
448 HB3 HIS 61 HB1 HIS 61 18.399 15.221 57.166
449 HD2 HIS 61 HD2 HIS 61 18.962 18.998 56.154
450 HE1 HIS 61 HE1 HIS 61 15.720 18.800 58.851
451 HE2 HIS 61 HE2 HIS 61 17.258 20.370 57.580
452 H HIS 62 HN HIS 62 21.618 14.729 55.006
453 HA HIS 62 HA HIS 62 22.662 12.710 55.426
454 HB2 HIS 62 HB2 HIS 62 23.877 14.691 56.793
455 HB3 HIS 62 HB1 HIS 62 23.435 13.637 58.136
456 HD2 HIS 62 HD2 HIS 62 25.613 13.420 54.833
457 HE1 HIS 62 HE1 HIS 62 26.666 10.214 57.370
458 HE2 HIS 62 HE2 HIS 62 27.233 11.404 55.199
459 H HIS 63 HN HIS 63 23.200 11.517 57.980
460 HA HIS 63 HA HIS 63 21.074 9.785 58.282
461 HB2 HIS 63 HB2 HIS 63 23.336 10.610 60.047
462 HB3 HIS 63 HB1 HIS 63 22.046 9.632 60.746
463 HD2 HIS 63 HD2 HIS 63 21.591 7.130 59.179
464 HE1 HIS 63 HE1 HIS 63 25.564 7.093 57.750
465 HE2 HIS 63 HE2 HIS 63 23.448 5.713 58.012
466 H HIS 64 HN HIS 64 19.274 9.664 59.593
467 HA HIS 64 HA HIS 64 17.871 12.019 60.159
468 HB2 HIS 64 HB2 HIS 64 16.176 10.648 60.871
469 HB3 HIS 64 HB1 HIS 64 17.148 9.450 60.017
470 HD2 HIS 64 HD2 HIS 64 18.811 7.824 61.783
471 HE1 HIS 64 HE1 HIS 64 16.632 8.832 65.256
472 HE2 HIS 64 HE2 HIS 64 18.374 7.255 64.294
Start of MODEL 12
1 H1 MET 1 HT1 MET 1 63.915 -8.862 22.983
2 H2 MET 1 HT2 MET 1 63.530 -7.398 23.752
3 H3 MET 1 HT3 MET 1 65.147 -7.913 23.661
4 HA MET 1 HA MET 1 65.063 -6.334 22.004
5 HB2 MET 1 HB2 MET 1 64.575 -9.116 20.989
6 HB3 MET 1 HB1 MET 1 64.684 -7.786 19.835
7 HG2 MET 1 HG2 MET 1 66.776 -8.068 21.974
8 HG3 MET 1 HG1 MET 1 66.868 -9.069 20.525
9 HE1 MET 1 HE1 MET 1 67.190 -8.341 18.222
10 HE2 MET 1 HE2 MET 1 68.728 -8.327 19.081
11 HE3 MET 1 HE3 MET 1 68.352 -7.037 17.941
12 H GLU 2 HN GLU 2 62.305 -6.810 23.271
13 HA GLU 2 HA GLU 2 60.138 -6.137 22.914
14 HB2 GLU 2 HB2 GLU 2 61.374 -4.541 20.659
15 HB3 GLU 2 HB1 GLU 2 59.816 -4.235 21.430
16 HG2 GLU 2 HG2 GLU 2 60.894 -3.748 23.547
17 HG3 GLU 2 HG1 GLU 2 62.465 -4.221 22.903
18 H GLU 3 HN GLU 3 60.543 -8.597 21.932
19 HA GLU 3 HA GLU 3 59.809 -8.777 19.138
20 HB2 GLU 3 HB2 GLU 3 59.845 -10.964 21.229
21 HB3 GLU 3 HB1 GLU 3 59.860 -11.168 19.477
22 HG2 GLU 3 HG2 GLU 3 62.010 -9.622 19.652
23 HG3 GLU 3 HG1 GLU 3 62.053 -10.253 21.299
24 H GLY 4 HN GLY 4 57.950 -7.238 20.538
25 HA2 GLY 4 HA2 GLY 4 55.527 -7.803 19.696
26 HA3 GLY 4 HA1 GLY 4 55.631 -8.974 21.006
27 H GLY 5 HN GLY 5 56.892 -7.648 22.991
28 HA2 GLY 5 HA2 GLY 5 56.690 -5.225 23.866
29 HA3 GLY 5 HA1 GLY 5 54.967 -5.512 23.643
30 H ASP 6 HN ASP 6 54.277 -5.503 25.734
31 HA ASP 6 HA ASP 6 55.207 -7.727 27.420
32 HB2 ASP 6 HB2 ASP 6 56.418 -6.037 28.463
33 HB3 ASP 6 HB1 ASP 6 55.199 -4.811 28.122
34 H PHE 7 HN PHE 7 53.287 -8.830 27.019
35 HA PHE 7 HA PHE 7 50.752 -7.509 27.647
36 HB2 PHE 7 HB2 PHE 7 51.486 -9.473 25.813
37 HB3 PHE 7 HB1 PHE 7 50.592 -10.351 27.055
38 HD1 PHE 7 HD2 PHE 7 48.315 -9.416 27.792
39 HD2 PHE 7 HD1 PHE 7 50.350 -8.138 24.232
40 HE1 PHE 7 HE2 PHE 7 46.184 -8.519 26.896
41 HE2 PHE 7 HE1 PHE 7 48.218 -7.241 23.335
42 HZ PHE 7 HZ PHE 7 46.135 -7.431 24.668
43 H ASP 8 HN ASP 8 49.977 -7.548 29.648
44 HA ASP 8 HA ASP 8 50.077 -9.973 31.234
45 HB2 ASP 8 HB2 ASP 8 52.259 -8.828 31.708
46 HB3 ASP 8 HB1 ASP 8 51.346 -7.453 32.327
47 H ASN 9 HN ASN 9 47.877 -8.783 30.171
48 HA ASN 9 HA ASN 9 46.519 -7.769 32.579
49 HB2 ASN 9 HB2 ASN 9 47.188 -5.923 30.887
50 HB3 ASN 9 HB1 ASN 9 45.912 -6.599 29.876
51 HD21 ASN 9 HD21 ASN 9 46.415 -4.194 32.096
52 HD22 ASN 9 HD22 ASN 9 44.853 -4.083 32.752
53 H TYR 10 HN TYR 10 46.423 -10.384 31.766
54 HA TYR 10 HA TYR 10 44.427 -11.090 29.935
55 HB2 TYR 10 HB2 TYR 10 46.071 -12.422 31.798
56 HB3 TYR 10 HB1 TYR 10 44.413 -12.877 32.195
57 HD1 TYR 10 HD1 TYR 10 47.030 -12.936 29.599
58 HD2 TYR 10 HD2 TYR 10 43.017 -14.088 30.606
59 HE1 TYR 10 HE1 TYR 10 46.975 -14.456 27.640
60 HE2 TYR 10 HE2 TYR 10 42.962 -15.608 28.647
61 HH TYR 10 HH TYR 10 45.120 -15.454 26.142
62 H TYR 11 HN TYR 11 44.186 -10.580 33.455
63 HA TYR 11 HA TYR 11 41.444 -11.079 33.720
64 HB2 TYR 11 HB2 TYR 11 43.389 -9.391 35.278
65 HB3 TYR 11 HB1 TYR 11 41.681 -9.450 35.717
66 HD1 TYR 11 HD2 TYR 11 40.616 -11.644 36.302
67 HD2 TYR 11 HD1 TYR 11 44.851 -11.237 35.709
68 HE1 TYR 11 HE2 TYR 11 40.985 -13.810 37.452
69 HE2 TYR 11 HE1 TYR 11 45.220 -13.403 36.860
70 HH TYR 11 HH TYR 11 44.258 -15.003 38.116
71 H GLY 12 HN GLY 12 39.879 -9.259 34.452
72 HA2 GLY 12 HA2 GLY 12 39.077 -7.022 34.120
73 HA3 GLY 12 HA1 GLY 12 40.133 -6.889 32.717
74 H ALA 13 HN ALA 13 37.261 -8.579 33.940
75 HA ALA 13 HA ALA 13 36.146 -8.506 31.216
76 HB1 ALA 13 HB1 ALA 13 36.398 -10.923 32.999
77 HB2 ALA 13 HB2 ALA 13 36.888 -10.749 31.315
78 HB3 ALA 13 HB3 ALA 13 35.176 -10.826 31.731
79 H ASP 14 HN ASP 14 35.465 -6.646 33.032
80 HA ASP 14 HA ASP 14 32.718 -7.431 33.745
81 HB2 ASP 14 HB2 ASP 14 33.015 -5.989 35.838
82 HB3 ASP 14 HB1 ASP 14 33.784 -7.576 35.853
83 H ASN 15 HN ASN 15 33.522 -6.026 31.460
84 HA ASN 15 HA ASN 15 32.079 -3.531 31.879
85 HB2 ASN 15 HB2 ASN 15 34.637 -3.177 32.219
86 HB3 ASN 15 HB1 ASN 15 34.725 -3.357 30.467
87 HD21 ASN 15 HD21 ASN 15 32.210 -1.767 32.503
88 HD22 ASN 15 HD22 ASN 15 32.351 -0.254 31.746
89 H GLN 16 HN GLN 16 32.115 -6.218 30.328
90 HA GLN 16 HA GLN 16 32.239 -5.487 27.559
91 HB2 GLN 16 HB2 GLN 16 31.045 -7.713 27.263
92 HB3 GLN 16 HB1 GLN 16 32.606 -7.783 28.082
93 HG2 GLN 16 HG2 GLN 16 30.162 -7.398 29.759
94 HG3 GLN 16 HG1 GLN 16 30.462 -9.003 29.092
95 HE21 GLN 16 HE21 GLN 16 33.172 -9.346 29.265
96 HE22 GLN 16 HE22 GLN 16 33.709 -9.176 30.866
97 H SER 17 HN SER 17 30.784 -3.503 28.357
98 HA SER 17 HA SER 17 27.936 -4.141 28.250
99 HB2 SER 17 HB2 SER 17 29.069 -2.335 29.743
100 HB3 SER 17 HB1 SER 17 29.078 -1.360 28.276
101 HG SER 17 HG SER 17 27.014 -1.075 28.508
102 H GLU 18 HN GLU 18 26.860 -2.047 26.911
103 HA GLU 18 HA GLU 18 26.764 -2.801 24.281
104 HB2 GLU 18 HB2 GLU 18 25.195 -1.195 25.258
105 HB3 GLU 18 HB1 GLU 18 26.478 0.012 25.364
106 HG2 GLU 18 HG2 GLU 18 26.533 0.357 23.073
107 HG3 GLU 18 HG1 GLU 18 25.937 -1.262 22.710
108 H CYS 19 HN CYS 19 28.771 -3.305 23.409
109 HA CYS 19 HA CYS 19 30.232 -1.039 22.325
110 HB2 CYS 19 HB2 CYS 19 31.189 -1.800 24.671
111 HB3 CYS 19 HB1 CYS 19 31.924 -3.080 23.706
112 HG CYS 19 HG CYS 19 32.354 -0.226 22.618
113 H GLU 20 HN GLU 20 28.661 -3.621 21.645
114 HA GLU 20 HA GLU 20 30.669 -4.907 19.912
115 HB2 GLU 20 HB2 GLU 20 28.670 -5.978 21.524
116 HB3 GLU 20 HB1 GLU 20 28.011 -6.094 19.891
117 HG2 GLU 20 HG2 GLU 20 30.184 -7.126 19.161
118 HG3 GLU 20 HG1 GLU 20 30.682 -7.153 20.851
119 H TYR 21 HN TYR 21 27.923 -2.826 19.884
120 HA TYR 21 HA TYR 21 27.483 -3.215 17.008
121 HB2 TYR 21 HB2 TYR 21 25.418 -3.075 18.092
122 HB3 TYR 21 HB1 TYR 21 25.975 -1.817 19.198
123 HD1 TYR 21 HD1 TYR 21 25.216 -2.499 15.606
124 HD2 TYR 21 HD2 TYR 21 25.699 0.471 18.671
125 HE1 TYR 21 HE1 TYR 21 24.373 -0.759 14.052
126 HE2 TYR 21 HE2 TYR 21 24.856 2.211 17.117
127 HH TYR 21 HH TYR 21 23.909 2.598 15.132
128 H THR 22 HN THR 22 29.257 -1.258 19.126
129 HA THR 22 HA THR 22 29.379 0.974 17.207
130 HB THR 22 HB THR 22 30.392 0.765 20.052
131 HG1 THR 22 HG1 THR 22 27.997 1.153 19.122
132 HG21 THR 22 HG21 THR 22 31.806 2.355 19.143
133 HG22 THR 22 HG22 THR 22 30.432 3.374 19.574
134 HG23 THR 22 HG23 THR 22 30.642 2.835 17.908
135 H ASP 23 HN ASP 23 31.056 -1.806 18.198
136 HA ASP 23 HA ASP 23 33.636 -0.772 17.217
137 HB2 ASP 23 HB2 ASP 23 34.684 -2.332 18.524
138 HB3 ASP 23 HB1 ASP 23 33.195 -2.168 19.455
139 H TRP 24 HN TRP 24 30.942 -2.431 16.144
140 HA TRP 24 HA TRP 24 31.736 -4.571 14.659
141 HB2 TRP 24 HB2 TRP 24 29.960 -4.033 13.076
142 HB3 TRP 24 HB1 TRP 24 29.422 -3.692 14.720
143 HD1 TRP 24 HD1 TRP 24 30.134 -0.962 15.444
144 HE1 TRP 24 HE1 TRP 24 29.546 1.135 14.066
145 HE3 TRP 24 HE3 TRP 24 29.363 -3.101 10.871
146 HZ2 TRP 24 HZ2 TRP 24 28.841 1.816 11.379
147 HZ3 TRP 24 HZ3 TRP 24 28.734 -1.706 8.922
148 HH2 TRP 24 HH2 TRP 24 28.473 0.747 9.169
149 H LYS 25 HN LYS 25 31.979 -1.164 13.626
150 HA LYS 25 HA LYS 25 34.308 -1.862 11.998
151 HB2 LYS 25 HB2 LYS 25 31.669 -1.048 10.916
152 HB3 LYS 25 HB1 LYS 25 33.080 -0.253 10.217
153 HG2 LYS 25 HG2 LYS 25 34.082 -2.387 9.658
154 HG3 LYS 25 HG1 LYS 25 32.810 -3.257 10.515
155 HD2 LYS 25 HD2 LYS 25 32.389 -3.266 8.086
156 HD3 LYS 25 HD1 LYS 25 31.133 -2.365 8.936
157 HE2 LYS 25 HE2 LYS 25 31.911 -0.304 8.181
158 HE3 LYS 25 HE1 LYS 25 33.549 -0.903 7.920
159 HZ1 LYS 25 HZ1 LYS 25 32.182 -0.510 5.867
160 HZ2 LYS 25 HZ2 LYS 25 31.230 -1.839 6.333
161 HZ3 LYS 25 HZ3 LYS 25 32.882 -2.050 5.996
162 H SER 26 HN SER 26 35.770 -0.529 12.872
163 HA SER 26 HA SER 26 35.244 2.347 12.800
164 HB2 SER 26 HB2 SER 26 34.581 1.816 15.059
165 HB3 SER 26 HB1 SER 26 36.036 0.854 15.310
166 HG SER 26 HG SER 26 35.708 3.428 15.737
167 H SER 27 HN SER 27 37.740 0.432 14.448
168 HA SER 27 HA SER 27 39.686 1.097 12.368
169 HB2 SER 27 HB2 SER 27 40.659 1.677 15.090
170 HB3 SER 27 HB1 SER 27 40.958 2.530 13.578
171 HG SER 27 HG SER 27 38.421 2.570 14.812
172 H GLY 28 HN GLY 28 38.473 -1.364 13.297
173 HA2 GLY 28 HA2 GLY 28 39.560 -3.499 13.244
174 HA3 GLY 28 HA1 GLY 28 40.936 -2.781 14.076
175 H ALA 29 HN ALA 29 38.691 -1.384 15.762
176 HA ALA 29 HA ALA 29 37.516 -1.793 17.707
177 HB1 ALA 29 HB1 ALA 29 36.448 -3.800 17.978
178 HB2 ALA 29 HB2 ALA 29 37.877 -4.740 17.549
179 HB3 ALA 29 HB3 ALA 29 36.909 -3.980 16.285
180 H LEU 30 HN LEU 30 40.645 -2.368 17.091
181 HA LEU 30 HA LEU 30 41.381 -3.589 19.630
182 HB2 LEU 30 HB2 LEU 30 43.199 -2.368 17.545
183 HB3 LEU 30 HB1 LEU 30 43.638 -3.512 18.815
184 HG LEU 30 HG LEU 30 41.729 -4.078 16.526
185 HD11 LEU 30 HD11 LEU 30 44.644 -4.572 16.981
186 HD12 LEU 30 HD12 LEU 30 43.791 -4.191 15.485
187 HD13 LEU 30 HD13 LEU 30 43.711 -5.821 16.155
188 HD21 LEU 30 HD21 LEU 30 42.621 -5.618 18.951
189 HD22 LEU 30 HD22 LEU 30 42.201 -6.482 17.472
190 HD23 LEU 30 HD23 LEU 30 41.002 -5.462 18.268
191 H ILE 31 HN ILE 31 41.686 -0.439 18.013
192 HA ILE 31 HA ILE 31 42.740 0.737 20.469
193 HB ILE 31 HB ILE 31 42.862 1.364 17.632
194 HG12 ILE 31 HG12 ILE 31 44.743 0.913 19.263
195 HG13 ILE 31 HG11 ILE 31 44.948 2.349 18.264
196 HG21 ILE 31 HG21 ILE 31 42.199 3.636 19.538
197 HG22 ILE 31 HG22 ILE 31 41.304 3.165 18.092
198 HG23 ILE 31 HG23 ILE 31 42.917 3.850 17.944
199 HD11 ILE 31 HD11 ILE 31 45.171 2.286 21.015
200 HD12 ILE 31 HD12 ILE 31 43.531 2.887 20.787
201 HD13 ILE 31 HD13 ILE 31 44.891 3.736 20.054
202 HA PRO 32 HA PRO 32 38.546 3.156 19.658
203 HB2 PRO 32 HB2 PRO 32 36.915 0.864 18.711
204 HB3 PRO 32 HB1 PRO 32 36.926 2.548 18.155
205 HG2 PRO 32 HG2 PRO 32 37.984 0.574 16.700
206 HG3 PRO 32 HG1 PRO 32 38.676 2.205 16.720
207 HD2 PRO 32 HD2 PRO 32 39.657 -0.277 18.075
208 HD3 PRO 32 HD1 PRO 32 40.582 1.060 17.358
209 H ALA 33 HN ALA 33 38.805 -0.219 20.613
210 HA ALA 33 HA ALA 33 36.691 -0.395 22.434
211 HB1 ALA 33 HB1 ALA 33 39.237 -1.828 21.981
212 HB2 ALA 33 HB2 ALA 33 37.607 -2.463 22.206
213 HB3 ALA 33 HB3 ALA 33 38.562 -1.969 23.604
214 H ILE 34 HN ILE 34 39.990 0.823 22.862
215 HA ILE 34 HA ILE 34 39.531 1.403 25.674
216 HB ILE 34 HB ILE 34 41.865 1.949 23.832
217 HG12 ILE 34 HG12 ILE 34 41.887 0.156 26.237
218 HG13 ILE 34 HG11 ILE 34 41.155 -0.434 24.745
219 HG21 ILE 34 HG21 ILE 34 42.178 3.622 25.400
220 HG22 ILE 34 HG22 ILE 34 42.922 2.272 26.258
221 HG23 ILE 34 HG23 ILE 34 41.274 2.765 26.648
222 HD11 ILE 34 HD11 ILE 34 43.723 -0.816 25.172
223 HD12 ILE 34 HD12 ILE 34 43.862 0.860 24.642
224 HD13 ILE 34 HD13 ILE 34 43.165 -0.350 23.565
225 H TYR 35 HN TYR 35 39.768 3.142 22.611
226 HA TYR 35 HA TYR 35 39.793 5.766 23.629
227 HB2 TYR 35 HB2 TYR 35 39.747 4.565 21.100
228 HB3 TYR 35 HB1 TYR 35 38.289 5.555 21.163
229 HD1 TYR 35 HD1 TYR 35 38.497 7.994 21.881
230 HD2 TYR 35 HD2 TYR 35 41.885 5.559 20.862
231 HE1 TYR 35 HE1 TYR 35 39.867 10.036 21.559
232 HE2 TYR 35 HE2 TYR 35 43.255 7.600 20.539
233 HH TYR 35 HH TYR 35 42.889 10.255 21.664
234 H MET 36 HN MET 36 37.133 3.563 22.874
235 HA MET 36 HA MET 36 35.078 5.504 23.401
236 HB2 MET 36 HB2 MET 36 35.006 2.489 23.147
237 HB3 MET 36 HB1 MET 36 33.573 3.500 23.337
238 HG2 MET 36 HG2 MET 36 35.244 4.586 21.258
239 HG3 MET 36 HG1 MET 36 34.932 2.881 20.932
240 HE1 MET 36 HE1 MET 36 32.383 6.226 19.825
241 HE2 MET 36 HE2 MET 36 34.054 5.747 19.541
242 HE3 MET 36 HE3 MET 36 33.599 6.453 21.089
243 H LEU 37 HN LEU 37 36.541 2.817 25.196
244 HA LEU 37 HA LEU 37 34.887 2.839 27.444
245 HB2 LEU 37 HB2 LEU 37 37.457 1.737 26.715
246 HB3 LEU 37 HB1 LEU 37 37.487 2.320 28.379
247 HG LEU 37 HG LEU 37 35.435 1.038 28.870
248 HD11 LEU 37 HD11 LEU 37 34.122 0.619 27.069
249 HD12 LEU 37 HD12 LEU 37 35.179 -0.765 26.793
250 HD13 LEU 37 HD13 LEU 37 35.473 0.753 25.945
251 HD21 LEU 37 HD21 LEU 37 37.670 -0.014 29.171
252 HD22 LEU 37 HD22 LEU 37 37.573 -0.649 27.528
253 HD23 LEU 37 HD23 LEU 37 36.434 -1.202 28.756
254 H VAL 38 HN VAL 38 36.743 5.340 26.280
255 HA VAL 38 HA VAL 38 36.955 6.591 28.957
256 HB VAL 38 HB VAL 38 38.646 7.051 26.488
257 HG11 VAL 38 HG11 VAL 38 39.942 8.424 28.333
258 HG12 VAL 38 HG12 VAL 38 38.354 8.511 29.094
259 HG13 VAL 38 HG13 VAL 38 38.592 9.161 27.472
260 HG21 VAL 38 HG21 VAL 38 39.464 6.054 29.229
261 HG22 VAL 38 HG22 VAL 38 40.423 6.049 27.749
262 HG23 VAL 38 HG23 VAL 38 39.041 4.965 27.908
263 H PHE 39 HN PHE 39 35.263 6.590 26.101
264 HA PHE 39 HA PHE 39 34.711 9.487 26.190
265 HB2 PHE 39 HB2 PHE 39 35.342 8.149 24.018
266 HB3 PHE 39 HB1 PHE 39 33.646 7.666 24.062
267 HD1 PHE 39 HD1 PHE 39 35.849 10.688 24.243
268 HD2 PHE 39 HD2 PHE 39 31.988 9.104 23.228
269 HE1 PHE 39 HE1 PHE 39 35.197 12.885 23.295
270 HE2 PHE 39 HE2 PHE 39 31.335 11.301 22.281
271 HZ PHE 39 HZ PHE 39 32.940 13.192 22.314
272 H LEU 40 HN LEU 40 33.532 6.586 27.326
273 HA LEU 40 HA LEU 40 30.833 7.736 27.662
274 HB2 LEU 40 HB2 LEU 40 29.881 5.466 27.421
275 HB3 LEU 40 HB1 LEU 40 30.682 6.003 25.944
276 HG LEU 40 HG LEU 40 32.743 4.793 27.325
277 HD11 LEU 40 HD11 LEU 40 31.968 2.752 28.266
278 HD12 LEU 40 HD12 LEU 40 30.347 2.975 27.607
279 HD13 LEU 40 HD13 LEU 40 30.907 3.993 28.933
280 HD21 LEU 40 HD21 LEU 40 30.820 3.546 25.334
281 HD22 LEU 40 HD22 LEU 40 32.452 2.971 25.676
282 HD23 LEU 40 HD23 LEU 40 32.214 4.550 24.928
283 H LEU 41 HN LEU 41 33.599 6.328 29.007
284 HA LEU 41 HA LEU 41 32.766 4.877 31.189
285 HB2 LEU 41 HB2 LEU 41 35.138 6.188 30.383
286 HB3 LEU 41 HB1 LEU 41 34.818 6.696 32.041
287 HG LEU 41 HG LEU 41 34.859 3.819 31.081
288 HD11 LEU 41 HD11 LEU 41 37.000 3.615 32.037
289 HD12 LEU 41 HD12 LEU 41 36.825 5.101 32.971
290 HD13 LEU 41 HD13 LEU 41 37.075 5.180 31.227
291 HD21 LEU 41 HD21 LEU 41 35.143 4.080 33.895
292 HD22 LEU 41 HD22 LEU 41 33.784 3.383 33.013
293 HD23 LEU 41 HD23 LEU 41 33.781 5.098 33.425
294 H GLY 42 HN GLY 42 33.027 8.418 30.946
295 HA2 GLY 42 HA2 GLY 42 30.857 8.766 32.824
296 HA3 GLY 42 HA1 GLY 42 32.424 9.262 33.456
297 H THR 43 HN THR 43 31.550 9.513 30.069
298 HA THR 43 HA THR 43 31.408 12.455 30.344
299 HB THR 43 HB THR 43 32.814 12.764 28.532
300 HG1 THR 43 HG1 THR 43 32.003 11.610 26.931
301 HG21 THR 43 HG21 THR 43 33.776 10.086 29.568
302 HG22 THR 43 HG22 THR 43 34.006 11.612 30.420
303 HG23 THR 43 HG23 THR 43 34.761 11.358 28.846
304 H THR 44 HN THR 44 31.069 12.456 27.351
305 HA THR 44 HA THR 44 29.207 12.873 26.032
306 HB THR 44 HB THR 44 27.947 10.593 25.705
307 HG1 THR 44 HG1 THR 44 28.790 8.941 26.722
308 HG21 THR 44 HG21 THR 44 29.824 9.808 24.296
309 HG22 THR 44 HG22 THR 44 30.899 10.944 25.113
310 HG23 THR 44 HG23 THR 44 29.568 11.545 24.124
311 H GLY 45 HN GLY 45 27.552 10.385 27.829
312 HA2 GLY 45 HA2 GLY 45 25.835 12.383 29.147
313 HA3 GLY 45 HA1 GLY 45 25.091 11.167 28.115
314 H ASN 46 HN ASN 46 26.594 8.932 28.728
315 HA ASN 46 HA ASN 46 26.373 7.153 30.194
316 HB2 ASN 46 HB2 ASN 46 27.692 7.439 32.202
317 HB3 ASN 46 HB1 ASN 46 28.482 8.301 30.882
318 HD21 ASN 46 HD21 ASN 46 28.225 10.700 30.841
319 HD22 ASN 46 HD22 ASN 46 27.868 11.530 32.277
320 H GLY 47 HN GLY 47 23.936 8.338 29.948
321 HA2 GLY 47 HA2 GLY 47 22.678 7.654 32.427
322 HA3 GLY 47 HA1 GLY 47 22.643 9.391 32.139
323 H LEU 48 HN LEU 48 21.802 6.272 30.678
324 HA LEU 48 HA LEU 48 20.144 5.660 29.222
325 HB2 LEU 48 HB2 LEU 48 19.038 7.471 31.151
326 HB3 LEU 48 HB1 LEU 48 18.241 7.731 29.601
327 HG LEU 48 HG LEU 48 17.078 6.005 30.939
328 HD11 LEU 48 HD11 LEU 48 16.545 5.037 28.984
329 HD12 LEU 48 HD12 LEU 48 18.078 4.166 28.965
330 HD13 LEU 48 HD13 LEU 48 17.971 5.778 28.259
331 HD21 LEU 48 HD21 LEU 48 19.125 3.943 30.585
332 HD22 LEU 48 HD22 LEU 48 18.176 4.345 32.016
333 HD23 LEU 48 HD23 LEU 48 19.653 5.240 31.658
334 H VAL 49 HN VAL 49 22.006 8.258 28.725
335 HA VAL 49 HA VAL 49 20.563 9.499 26.537
336 HB VAL 49 HB VAL 49 23.504 9.815 27.075
337 HG11 VAL 49 HG11 VAL 49 21.332 11.711 26.132
338 HG12 VAL 49 HG12 VAL 49 22.492 10.890 25.086
339 HG13 VAL 49 HG13 VAL 49 23.051 12.086 26.254
340 HG21 VAL 49 HG21 VAL 49 22.642 11.773 28.574
341 HG22 VAL 49 HG22 VAL 49 22.690 10.147 29.256
342 HG23 VAL 49 HG23 VAL 49 21.163 10.818 28.683
343 H LEU 50 HN LEU 50 22.565 6.778 26.984
344 HA LEU 50 HA LEU 50 23.500 6.708 24.220
345 HB2 LEU 50 HB2 LEU 50 23.830 4.503 26.242
346 HB3 LEU 50 HB1 LEU 50 24.867 4.912 24.874
347 HG LEU 50 HG LEU 50 24.485 6.545 27.400
348 HD11 LEU 50 HD11 LEU 50 27.202 5.917 26.762
349 HD12 LEU 50 HD12 LEU 50 26.264 4.424 26.696
350 HD13 LEU 50 HD13 LEU 50 26.264 5.402 28.165
351 HD21 LEU 50 HD21 LEU 50 24.795 8.181 25.756
352 HD22 LEU 50 HD22 LEU 50 25.795 7.127 24.756
353 HD23 LEU 50 HD23 LEU 50 26.457 7.831 26.231
354 H TRP 51 HN TRP 51 21.092 5.213 26.285
355 HA TRP 51 HA TRP 51 20.412 3.027 24.632
356 HB2 TRP 51 HB2 TRP 51 19.257 2.649 26.521
357 HB3 TRP 51 HB1 TRP 51 19.332 4.347 26.989
358 HD1 TRP 51 HD1 TRP 51 17.427 5.980 25.985
359 HE1 TRP 51 HE1 TRP 51 15.012 5.476 25.235
360 HE3 TRP 51 HE3 TRP 51 17.705 0.907 25.465
361 HZ2 TRP 51 HZ2 TRP 51 13.411 3.219 24.510
362 HZ3 TRP 51 HZ3 TRP 51 15.723 -0.393 24.744
363 HH2 TRP 51 HH2 TRP 51 13.578 0.756 24.267
364 H THR 52 HN THR 52 20.040 6.347 24.130
365 HA THR 52 HA THR 52 17.660 6.092 22.456
366 HB THR 52 HB THR 52 18.323 8.108 24.007
367 HG1 THR 52 HG1 THR 52 16.515 8.151 22.717
368 HG21 THR 52 HG21 THR 52 19.601 9.046 21.448
369 HG22 THR 52 HG22 THR 52 20.563 8.256 22.697
370 HG23 THR 52 HG23 THR 52 19.706 9.753 23.059
371 H VAL 53 HN VAL 53 21.121 6.252 22.174
372 HA VAL 53 HA VAL 53 21.201 6.965 19.397
373 HB VAL 53 HB VAL 53 23.292 5.594 21.106
374 HG11 VAL 53 HG11 VAL 53 23.773 5.328 18.743
375 HG12 VAL 53 HG12 VAL 53 24.835 6.581 19.383
376 HG13 VAL 53 HG13 VAL 53 23.415 7.028 18.437
377 HG21 VAL 53 HG21 VAL 53 22.912 7.662 22.157
378 HG22 VAL 53 HG22 VAL 53 22.530 8.472 20.637
379 HG23 VAL 53 HG23 VAL 53 24.200 8.046 21.015
380 H PHE 54 HN PHE 54 22.470 3.958 20.796
381 HA PHE 54 HA PHE 54 22.482 2.357 18.616
382 HB2 PHE 54 HB2 PHE 54 22.987 0.794 20.139
383 HB3 PHE 54 HB1 PHE 54 22.555 1.945 21.403
384 HD1 PHE 54 HD1 PHE 54 21.203 -0.711 19.174
385 HD2 PHE 54 HD2 PHE 54 20.543 1.711 22.660
386 HE1 PHE 54 HE1 PHE 54 19.229 -2.092 19.759
387 HE2 PHE 54 HE2 PHE 54 18.568 0.330 23.245
388 HZ PHE 54 HZ PHE 54 17.911 -1.571 21.796
389 H ARG 55 HN ARG 55 19.667 3.587 20.211
390 HA ARG 55 HA ARG 55 17.829 1.690 19.044
391 HB2 ARG 55 HB2 ARG 55 17.506 2.986 21.233
392 HB3 ARG 55 HB1 ARG 55 17.119 4.374 20.218
393 HG2 ARG 55 HG2 ARG 55 15.006 3.474 20.491
394 HG3 ARG 55 HG1 ARG 55 15.515 2.634 19.027
395 HD2 ARG 55 HD2 ARG 55 16.520 0.928 20.836
396 HD3 ARG 55 HD1 ARG 55 15.203 1.590 21.801
397 HE ARG 55 HE ARG 55 14.958 -0.067 19.424
398 HH11 ARG 55 HH21 ARG 55 13.475 2.111 21.665
399 HH12 ARG 55 HH22 ARG 55 11.863 1.577 21.330
400 HH21 ARG 55 HH11 ARG 55 12.844 -0.777 18.981
401 HH22 ARG 55 HH12 ARG 55 11.505 -0.058 19.811
402 H LYS 56 HN LYS 56 18.212 5.223 18.675
403 HA LYS 56 HA LYS 56 16.597 5.611 16.478
404 HB2 LYS 56 HB2 LYS 56 19.237 6.969 17.073
405 HB3 LYS 56 HB1 LYS 56 18.002 7.576 15.969
406 HG2 LYS 56 HG2 LYS 56 16.986 6.878 18.645
407 HG3 LYS 56 HG1 LYS 56 18.144 8.209 18.635
408 HD2 LYS 56 HD2 LYS 56 16.827 9.429 17.012
409 HD3 LYS 56 HD1 LYS 56 15.735 8.059 16.804
410 HE2 LYS 56 HE2 LYS 56 15.985 8.843 19.605
411 HE3 LYS 56 HE1 LYS 56 15.392 10.164 18.598
412 HZ1 LYS 56 HZ1 LYS 56 13.424 9.174 18.705
413 HZ2 LYS 56 HZ2 LYS 56 14.074 7.762 19.393
414 HZ3 LYS 56 HZ3 LYS 56 14.051 7.956 17.705
415 H LYS 57 HN LYS 57 20.099 4.923 16.420
416 HA LYS 57 HA LYS 57 20.125 4.575 13.561
417 HB2 LYS 57 HB2 LYS 57 22.337 3.497 15.227
418 HB3 LYS 57 HB1 LYS 57 22.401 4.481 13.764
419 HG2 LYS 57 HG2 LYS 57 21.403 6.365 15.247
420 HG3 LYS 57 HG1 LYS 57 21.924 5.368 16.603
421 HD2 LYS 57 HD2 LYS 57 23.667 6.496 14.398
422 HD3 LYS 57 HD1 LYS 57 23.705 6.924 16.110
423 HE2 LYS 57 HE2 LYS 57 25.473 5.406 15.970
424 HE3 LYS 57 HE1 LYS 57 24.142 4.354 16.453
425 HZ1 LYS 57 HZ1 LYS 57 25.568 3.616 14.505
426 HZ2 LYS 57 HZ2 LYS 57 24.788 4.830 13.609
427 HZ3 LYS 57 HZ3 LYS 57 23.887 3.562 14.292
428 H GLY 58 HN GLY 58 18.197 2.908 14.743
429 HA2 GLY 58 HA2 GLY 58 19.278 0.226 14.961
430 HA3 GLY 58 HA1 GLY 58 17.579 0.681 15.045
431 H HIS 59 HN HIS 59 20.288 0.372 12.761
432 HA HIS 59 HA HIS 59 18.367 -0.013 10.565
433 HB2 HIS 59 HB2 HIS 59 21.362 0.426 10.542
434 HB3 HIS 59 HB1 HIS 59 20.366 0.207 9.104
435 HD2 HIS 59 HD2 HIS 59 21.246 2.997 11.667
436 HE1 HIS 59 HE1 HIS 59 18.333 4.570 9.048
437 HE2 HIS 59 HE2 HIS 59 19.970 5.143 10.903
438 H HIS 60 HN HIS 60 21.563 -1.418 11.295
439 HA HIS 60 HA HIS 60 22.351 -3.557 10.886
440 HB2 HIS 60 HB2 HIS 60 21.114 -3.642 13.115
441 HB3 HIS 60 HB1 HIS 60 19.780 -4.387 12.233
442 HD2 HIS 60 HD2 HIS 60 20.776 -6.811 10.700
443 HE1 HIS 60 HE1 HIS 60 23.673 -7.605 13.667
444 HE2 HIS 60 HE2 HIS 60 22.444 -8.572 11.666
445 H HIS 61 HN HIS 61 22.130 -3.527 8.591
446 HA HIS 61 HA HIS 61 19.703 -4.463 7.343
447 HB2 HIS 61 HB2 HIS 61 22.473 -4.155 6.159
448 HB3 HIS 61 HB1 HIS 61 20.960 -4.318 5.266
449 HD2 HIS 61 HD2 HIS 61 22.126 -1.743 8.098
450 HE1 HIS 61 HE1 HIS 61 20.045 0.334 5.069
451 HE2 HIS 61 HE2 HIS 61 21.260 0.582 7.284
452 H HIS 62 HN HIS 62 19.228 -6.517 8.052
453 HA HIS 62 HA HIS 62 21.037 -8.621 8.429
454 HB2 HIS 62 HB2 HIS 62 18.091 -8.487 7.869
455 HB3 HIS 62 HB1 HIS 62 18.913 -10.047 7.918
456 HD2 HIS 62 HD2 HIS 62 20.143 -10.637 10.497
457 HE1 HIS 62 HE1 HIS 62 17.927 -7.702 12.569
458 HE2 HIS 62 HE2 HIS 62 19.441 -9.722 12.840
459 H HIS 63 HN HIS 63 22.520 -8.825 6.771
460 HA HIS 63 HA HIS 63 21.975 -8.814 4.025
461 HB2 HIS 63 HB2 HIS 63 24.127 -10.003 3.786
462 HB3 HIS 63 HB1 HIS 63 24.250 -8.656 4.919
463 HD2 HIS 63 HD2 HIS 63 26.432 -10.804 5.656
464 HE1 HIS 63 HE1 HIS 63 23.677 -12.516 8.359
465 HE2 HIS 63 HE2 HIS 63 26.127 -12.400 7.700
466 H HIS 64 HN HIS 64 21.660 -10.477 2.519
467 HA HIS 64 HA HIS 64 19.828 -12.460 3.148
468 HB2 HIS 64 HB2 HIS 64 20.052 -13.191 0.951
469 HB3 HIS 64 HB1 HIS 64 20.662 -11.540 0.837
470 HD2 HIS 64 HD2 HIS 64 23.718 -11.683 1.498
471 HE1 HIS 64 HE1 HIS 64 23.971 -15.214 -0.802
472 HE2 HIS 64 HE2 HIS 64 25.315 -13.341 0.265
Start of MODEL 13
1 H1 MET 1 HT1 MET 1 25.994 21.631 -19.163
2 H2 MET 1 HT2 MET 1 26.794 20.813 -20.419
3 H3 MET 1 HT3 MET 1 27.686 21.686 -19.267
4 HA MET 1 HA MET 1 27.891 19.392 -18.733
5 HB2 MET 1 HB2 MET 1 27.477 21.112 -16.896
6 HB3 MET 1 HB1 MET 1 25.804 20.555 -16.875
7 HG2 MET 1 HG2 MET 1 26.649 18.222 -16.489
8 HG3 MET 1 HG1 MET 1 28.277 18.886 -16.340
9 HE1 MET 1 HE1 MET 1 29.289 19.554 -14.286
10 HE2 MET 1 HE2 MET 1 28.520 20.600 -13.095
11 HE3 MET 1 HE3 MET 1 28.635 21.124 -14.772
12 H GLU 2 HN GLU 2 26.934 18.103 -20.381
13 HA GLU 2 HA GLU 2 25.320 16.765 -21.364
14 HB2 GLU 2 HB2 GLU 2 24.667 16.217 -18.461
15 HB3 GLU 2 HB1 GLU 2 24.402 15.139 -19.831
16 HG2 GLU 2 HG2 GLU 2 26.959 15.373 -20.228
17 HG3 GLU 2 HG1 GLU 2 27.008 15.966 -18.569
18 H GLU 3 HN GLU 3 24.028 18.461 -22.254
19 HA GLU 3 HA GLU 3 21.388 18.652 -20.963
20 HB2 GLU 3 HB2 GLU 3 22.468 20.731 -20.379
21 HB3 GLU 3 HB1 GLU 3 23.003 20.972 -22.042
22 HG2 GLU 3 HG2 GLU 3 20.812 21.386 -22.815
23 HG3 GLU 3 HG1 GLU 3 20.078 20.672 -21.380
24 H GLY 4 HN GLY 4 20.537 17.217 -22.473
25 HA2 GLY 4 HA2 GLY 4 19.158 17.903 -24.596
26 HA3 GLY 4 HA1 GLY 4 20.764 17.901 -25.320
27 H GLY 5 HN GLY 5 21.695 15.683 -23.628
28 HA2 GLY 5 HA2 GLY 5 20.620 13.347 -23.378
29 HA3 GLY 5 HA1 GLY 5 20.401 13.493 -25.119
30 H ASP 6 HN ASP 6 22.546 12.645 -22.610
31 HA ASP 6 HA ASP 6 24.616 11.996 -24.594
32 HB2 ASP 6 HB2 ASP 6 25.292 14.127 -23.559
33 HB3 ASP 6 HB1 ASP 6 25.165 13.391 -21.964
34 H PHE 7 HN PHE 7 25.520 10.035 -24.286
35 HA PHE 7 HA PHE 7 24.439 8.343 -22.202
36 HB2 PHE 7 HB2 PHE 7 26.514 7.755 -24.329
37 HB3 PHE 7 HB1 PHE 7 25.712 6.560 -23.309
38 HD1 PHE 7 HD2 PHE 7 23.116 6.510 -23.367
39 HD2 PHE 7 HD1 PHE 7 25.537 8.412 -26.362
40 HE1 PHE 7 HE2 PHE 7 21.215 6.423 -24.958
41 HE2 PHE 7 HE1 PHE 7 23.637 8.325 -27.954
42 HZ PHE 7 HZ PHE 7 21.476 7.332 -27.251
43 H ASP 8 HN ASP 8 26.411 6.666 -21.490
44 HA ASP 8 HA ASP 8 28.587 8.302 -20.370
45 HB2 ASP 8 HB2 ASP 8 26.646 8.054 -18.730
46 HB3 ASP 8 HB1 ASP 8 27.044 6.337 -18.678
47 H ASN 9 HN ASN 9 28.959 6.675 -22.502
48 HA ASN 9 HA ASN 9 30.027 4.785 -23.289
49 HB2 ASN 9 HB2 ASN 9 32.167 4.448 -22.313
50 HB3 ASN 9 HB1 ASN 9 31.801 6.160 -22.104
51 HD21 ASN 9 HD21 ASN 9 32.190 3.091 -20.398
52 HD22 ASN 9 HD22 ASN 9 32.133 3.751 -18.835
53 H TYR 10 HN TYR 10 27.695 4.237 -21.762
54 HA TYR 10 HA TYR 10 26.640 2.570 -20.549
55 HB2 TYR 10 HB2 TYR 10 27.371 1.550 -22.805
56 HB3 TYR 10 HB1 TYR 10 28.618 0.723 -21.871
57 HD1 TYR 10 HD2 TYR 10 24.936 1.258 -22.123
58 HD2 TYR 10 HD1 TYR 10 28.104 -1.184 -20.558
59 HE1 TYR 10 HE2 TYR 10 23.274 -0.435 -21.401
60 HE2 TYR 10 HE1 TYR 10 26.443 -2.877 -19.835
61 HH TYR 10 HH TYR 10 23.883 -2.790 -19.214
62 H TYR 11 HN TYR 11 27.248 3.052 -18.428
63 HA TYR 11 HA TYR 11 29.016 1.101 -17.213
64 HB2 TYR 11 HB2 TYR 11 30.757 2.452 -16.811
65 HB3 TYR 11 HB1 TYR 11 29.992 3.672 -17.830
66 HD1 TYR 11 HD2 TYR 11 28.148 5.140 -16.715
67 HD2 TYR 11 HD1 TYR 11 31.057 2.865 -14.520
68 HE1 TYR 11 HE2 TYR 11 27.756 6.562 -14.723
69 HE2 TYR 11 HE1 TYR 11 30.665 4.288 -12.527
70 HH TYR 11 HH TYR 11 29.755 6.274 -11.838
71 H GLY 12 HN GLY 12 28.728 0.925 -14.934
72 HA2 GLY 12 HA2 GLY 12 27.422 2.373 -13.112
73 HA3 GLY 12 HA1 GLY 12 26.074 1.768 -14.069
74 H ALA 13 HN ALA 13 29.071 0.523 -12.574
75 HA ALA 13 HA ALA 13 27.492 -1.667 -11.399
76 HB1 ALA 13 HB1 ALA 13 28.664 -2.385 -13.548
77 HB2 ALA 13 HB2 ALA 13 29.020 -3.343 -12.112
78 HB3 ALA 13 HB3 ALA 13 30.182 -2.145 -12.683
79 H ASP 14 HN ASP 14 27.915 0.149 -9.700
80 HA ASP 14 HA ASP 14 30.556 -0.182 -8.447
81 HB2 ASP 14 HB2 ASP 14 29.719 2.124 -8.823
82 HB3 ASP 14 HB1 ASP 14 28.339 1.769 -7.785
83 H ASN 15 HN ASN 15 28.911 -2.414 -8.306
84 HA ASN 15 HA ASN 15 27.755 -2.362 -5.601
85 HB2 ASN 15 HB2 ASN 15 27.493 -4.250 -7.935
86 HB3 ASN 15 HB1 ASN 15 26.979 -4.710 -6.313
87 HD21 ASN 15 HD21 ASN 15 26.054 -2.967 -9.145
88 HD22 ASN 15 HD22 ASN 15 24.647 -2.260 -8.510
89 H GLN 16 HN GLN 16 30.266 -3.875 -7.546
90 HA GLN 16 HA GLN 16 31.085 -5.948 -5.912
91 HB2 GLN 16 HB2 GLN 16 33.444 -5.319 -6.802
92 HB3 GLN 16 HB1 GLN 16 32.202 -5.792 -7.963
93 HG2 GLN 16 HG2 GLN 16 32.289 -2.909 -7.273
94 HG3 GLN 16 HG1 GLN 16 33.662 -3.518 -8.195
95 HE21 GLN 16 HE21 GLN 16 33.207 -2.841 -10.318
96 HE22 GLN 16 HE22 GLN 16 31.756 -3.175 -11.132
97 H SER 17 HN SER 17 31.731 -2.493 -5.597
98 HA SER 17 HA SER 17 32.886 -1.298 -3.985
99 HB2 SER 17 HB2 SER 17 30.710 -1.858 -2.907
100 HB3 SER 17 HB1 SER 17 31.461 -3.285 -2.201
101 HG SER 17 HG SER 17 31.612 -0.673 -1.455
102 H GLU 18 HN GLU 18 34.694 -2.921 -5.073
103 HA GLU 18 HA GLU 18 35.992 -4.434 -2.914
104 HB2 GLU 18 HB2 GLU 18 35.902 -4.637 -5.807
105 HB3 GLU 18 HB1 GLU 18 37.565 -4.611 -5.219
106 HG2 GLU 18 HG2 GLU 18 36.684 -6.916 -5.282
107 HG3 GLU 18 HG1 GLU 18 37.041 -6.418 -3.630
108 H CYS 19 HN CYS 19 38.591 -4.262 -3.397
109 HA CYS 19 HA CYS 19 40.470 -2.983 -3.066
110 HB2 CYS 19 HB2 CYS 19 39.043 -1.732 -5.136
111 HB3 CYS 19 HB1 CYS 19 39.508 -0.434 -4.036
112 HG CYS 19 HG CYS 19 41.393 -1.813 -5.887
113 H GLU 20 HN GLU 20 41.036 -2.349 -1.095
114 HA GLU 20 HA GLU 20 41.075 -1.225 0.909
115 HB2 GLU 20 HB2 GLU 20 40.476 0.698 -0.928
116 HB3 GLU 20 HB1 GLU 20 39.078 0.805 0.142
117 HG2 GLU 20 HG2 GLU 20 40.775 0.805 2.077
118 HG3 GLU 20 HG1 GLU 20 41.995 1.130 0.847
119 H TYR 21 HN TYR 21 38.447 -2.733 -0.358
120 HA TYR 21 HA TYR 21 36.699 -2.207 1.951
121 HB2 TYR 21 HB2 TYR 21 35.477 -2.053 -0.070
122 HB3 TYR 21 HB1 TYR 21 36.241 -3.497 -0.735
123 HD1 TYR 21 HD1 TYR 21 35.668 -5.747 0.148
124 HD2 TYR 21 HD2 TYR 21 33.625 -2.206 1.467
125 HE1 TYR 21 HE1 TYR 21 33.856 -7.147 1.102
126 HE2 TYR 21 HE2 TYR 21 31.814 -3.605 2.421
127 HH TYR 21 HH TYR 21 32.108 -6.865 2.970
128 H THR 22 HN THR 22 38.792 -4.586 0.558
129 HA THR 22 HA THR 22 37.792 -6.669 2.378
130 HB THR 22 HB THR 22 39.798 -6.819 0.116
131 HG1 THR 22 HG1 THR 22 37.852 -8.262 -0.515
132 HG21 THR 22 HG21 THR 22 40.443 -8.610 1.411
133 HG22 THR 22 HG22 THR 22 39.098 -9.361 0.553
134 HG23 THR 22 HG23 THR 22 38.868 -8.749 2.190
135 H ASP 23 HN ASP 23 39.917 -4.183 2.494
136 HA ASP 23 HA ASP 23 41.579 -5.568 4.494
137 HB2 ASP 23 HB2 ASP 23 42.603 -5.021 2.048
138 HB3 ASP 23 HB1 ASP 23 42.948 -3.503 2.876
139 H TRP 24 HN TRP 24 39.259 -3.660 4.517
140 HA TRP 24 HA TRP 24 39.970 -1.061 5.168
141 HB2 TRP 24 HB2 TRP 24 37.913 -1.317 6.811
142 HB3 TRP 24 HB1 TRP 24 37.684 -1.345 5.066
143 HD1 TRP 24 HD1 TRP 24 39.214 -4.353 6.826
144 HE1 TRP 24 HE1 TRP 24 37.570 -6.332 6.679
145 HE3 TRP 24 HE3 TRP 24 35.140 -1.971 4.875
146 HZ2 TRP 24 HZ2 TRP 24 34.882 -6.839 5.843
147 HZ3 TRP 24 HZ3 TRP 24 33.053 -3.226 4.413
148 HH2 TRP 24 HH2 TRP 24 32.919 -5.654 4.894
149 H LYS 25 HN LYS 25 38.680 -2.592 7.966
150 HA LYS 25 HA LYS 25 40.415 -1.443 9.783
151 HB2 LYS 25 HB2 LYS 25 38.947 -4.080 10.022
152 HB3 LYS 25 HB1 LYS 25 39.663 -3.196 11.370
153 HG2 LYS 25 HG2 LYS 25 37.798 -1.954 11.533
154 HG3 LYS 25 HG1 LYS 25 38.071 -1.352 9.898
155 HD2 LYS 25 HD2 LYS 25 35.873 -2.394 9.991
156 HD3 LYS 25 HD1 LYS 25 36.938 -3.397 9.006
157 HE2 LYS 25 HE2 LYS 25 36.543 -5.139 10.370
158 HE3 LYS 25 HE1 LYS 25 37.245 -4.234 11.711
159 HZ1 LYS 25 HZ1 LYS 25 34.717 -5.032 11.656
160 HZ2 LYS 25 HZ2 LYS 25 34.540 -3.499 10.946
161 HZ3 LYS 25 HZ3 LYS 25 35.233 -3.649 12.490
162 H SER 26 HN SER 26 40.480 -4.963 9.504
163 HA SER 26 HA SER 26 42.224 -6.457 9.582
164 HB2 SER 26 HB2 SER 26 42.531 -5.211 7.307
165 HB3 SER 26 HB1 SER 26 43.913 -4.464 8.103
166 HG SER 26 HG SER 26 43.402 -7.247 7.826
167 H SER 27 HN SER 27 42.162 -3.801 11.343
168 HA SER 27 HA SER 27 43.914 -4.510 13.308
169 HB2 SER 27 HB2 SER 27 45.915 -4.374 12.211
170 HB3 SER 27 HB1 SER 27 45.309 -3.220 11.026
171 HG SER 27 HG SER 27 46.852 -2.537 12.825
172 H GLY 28 HN GLY 28 42.457 -1.963 11.449
173 HA2 GLY 28 HA2 GLY 28 42.806 0.224 13.172
174 HA3 GLY 28 HA1 GLY 28 41.456 0.016 12.061
175 H ALA 29 HN ALA 29 41.012 -2.655 13.596
176 HA ALA 29 HA ALA 29 39.053 -1.561 15.421
177 HB1 ALA 29 HB1 ALA 29 38.912 -3.714 13.925
178 HB2 ALA 29 HB2 ALA 29 38.167 -3.706 15.523
179 HB3 ALA 29 HB3 ALA 29 39.735 -4.477 15.285
180 H LEU 30 HN LEU 30 42.301 -2.096 15.660
181 HA LEU 30 HA LEU 30 42.196 -2.893 18.496
182 HB2 LEU 30 HB2 LEU 30 44.674 -2.640 16.793
183 HB3 LEU 30 HB1 LEU 30 44.472 -3.532 18.301
184 HG LEU 30 HG LEU 30 43.162 -4.180 15.644
185 HD11 LEU 30 HD11 LEU 30 45.605 -4.764 15.945
186 HD12 LEU 30 HD12 LEU 30 44.553 -6.153 15.673
187 HD13 LEU 30 HD13 LEU 30 45.127 -5.788 17.299
188 HD21 LEU 30 HD21 LEU 30 42.526 -6.289 17.061
189 HD22 LEU 30 HD22 LEU 30 41.558 -4.824 17.231
190 HD23 LEU 30 HD23 LEU 30 42.778 -5.223 18.442
191 H ILE 31 HN ILE 31 41.317 -0.656 18.846
192 HA ILE 31 HA ILE 31 43.058 0.974 20.183
193 HB ILE 31 HB ILE 31 43.347 1.388 17.329
194 HG12 ILE 31 HG12 ILE 31 45.131 1.239 19.113
195 HG13 ILE 31 HG11 ILE 31 45.296 2.621 18.035
196 HG21 ILE 31 HG21 ILE 31 42.437 3.816 18.920
197 HG22 ILE 31 HG22 ILE 31 41.634 3.123 17.511
198 HG23 ILE 31 HG23 ILE 31 43.217 3.870 17.343
199 HD11 ILE 31 HD11 ILE 31 45.257 2.717 20.812
200 HD12 ILE 31 HD12 ILE 31 43.626 3.219 20.367
201 HD13 ILE 31 HD13 ILE 31 45.021 4.089 19.731
202 HA PRO 32 HA PRO 32 38.918 3.300 19.181
203 HB2 PRO 32 HB2 PRO 32 37.252 1.184 17.990
204 HB3 PRO 32 HB1 PRO 32 37.526 2.844 17.433
205 HG2 PRO 32 HG2 PRO 32 38.518 0.705 16.145
206 HG3 PRO 32 HG1 PRO 32 39.353 2.269 16.188
207 HD2 PRO 32 HD2 PRO 32 39.923 -0.219 17.767
208 HD3 PRO 32 HD1 PRO 32 41.063 0.939 17.044
209 H ALA 33 HN ALA 33 39.198 -0.031 20.137
210 HA ALA 33 HA ALA 33 36.842 -0.181 21.742
211 HB1 ALA 33 HB1 ALA 33 39.260 -1.831 21.293
212 HB2 ALA 33 HB2 ALA 33 37.565 -2.309 21.376
213 HB3 ALA 33 HB3 ALA 33 38.474 -2.027 22.860
214 H ILE 34 HN ILE 34 40.019 1.127 22.202
215 HA ILE 34 HA ILE 34 39.760 1.254 25.103
216 HB ILE 34 HB ILE 34 41.880 2.383 23.260
217 HG12 ILE 34 HG12 ILE 34 42.114 -0.018 25.076
218 HG13 ILE 34 HG11 ILE 34 41.524 -0.181 23.421
219 HG21 ILE 34 HG21 ILE 34 42.047 3.617 25.254
220 HG22 ILE 34 HG22 ILE 34 43.161 2.277 25.526
221 HG23 ILE 34 HG23 ILE 34 41.554 2.248 26.251
222 HD11 ILE 34 HD11 ILE 34 44.071 1.324 23.945
223 HD12 ILE 34 HD12 ILE 34 43.562 0.473 22.487
224 HD13 ILE 34 HD13 ILE 34 44.092 -0.439 23.900
225 H TYR 35 HN TYR 35 39.251 3.262 22.307
226 HA TYR 35 HA TYR 35 39.277 5.789 23.611
227 HB2 TYR 35 HB2 TYR 35 38.912 4.834 20.983
228 HB3 TYR 35 HB1 TYR 35 37.449 5.732 21.385
229 HD1 TYR 35 HD2 TYR 35 37.757 8.062 22.487
230 HD2 TYR 35 HD1 TYR 35 40.875 5.983 20.388
231 HE1 TYR 35 HE2 TYR 35 38.985 10.197 22.196
232 HE2 TYR 35 HE1 TYR 35 42.103 8.117 20.098
233 HH TYR 35 HH TYR 35 41.982 10.531 21.646
234 H MET 36 HN MET 36 36.767 3.378 23.013
235 HA MET 36 HA MET 36 34.628 5.020 24.014
236 HB2 MET 36 HB2 MET 36 34.819 2.052 23.460
237 HB3 MET 36 HB1 MET 36 33.338 2.873 23.954
238 HG2 MET 36 HG2 MET 36 33.064 3.888 21.922
239 HG3 MET 36 HG1 MET 36 34.798 4.096 21.678
240 HE1 MET 36 HE1 MET 36 34.100 2.097 18.540
241 HE2 MET 36 HE2 MET 36 35.066 3.365 19.289
242 HE3 MET 36 HE3 MET 36 33.311 3.503 19.270
243 H LEU 37 HN LEU 37 36.824 2.626 25.344
244 HA LEU 37 HA LEU 37 35.436 2.269 27.817
245 HB2 LEU 37 HB2 LEU 37 37.984 1.416 26.621
246 HB3 LEU 37 HB1 LEU 37 38.062 1.657 28.365
247 HG LEU 37 HG LEU 37 37.402 -0.676 27.685
248 HD11 LEU 37 HD11 LEU 37 36.420 -0.717 29.705
249 HD12 LEU 37 HD12 LEU 37 34.954 -0.021 29.013
250 HD13 LEU 37 HD13 LEU 37 36.219 1.034 29.643
251 HD21 LEU 37 HD21 LEU 37 35.616 -1.086 26.334
252 HD22 LEU 37 HD22 LEU 37 35.832 0.590 25.830
253 HD23 LEU 37 HD23 LEU 37 34.646 0.189 27.072
254 H VAL 38 HN VAL 38 36.454 5.031 26.694
255 HA VAL 38 HA VAL 38 37.263 6.028 29.344
256 HB VAL 38 HB VAL 38 38.617 6.704 26.722
257 HG11 VAL 38 HG11 VAL 38 38.547 8.028 29.398
258 HG12 VAL 38 HG12 VAL 38 38.718 8.745 27.796
259 HG13 VAL 38 HG13 VAL 38 40.099 7.960 28.562
260 HG21 VAL 38 HG21 VAL 38 39.488 5.268 29.243
261 HG22 VAL 38 HG22 VAL 38 40.632 5.885 28.050
262 HG23 VAL 38 HG23 VAL 38 39.471 4.638 27.595
263 H PHE 39 HN PHE 39 35.226 6.182 26.724
264 HA PHE 39 HA PHE 39 34.668 9.055 27.018
265 HB2 PHE 39 HB2 PHE 39 34.832 8.355 24.730
266 HB3 PHE 39 HB1 PHE 39 33.750 6.990 25.009
267 HD1 PHE 39 HD2 PHE 39 33.879 10.727 25.203
268 HD2 PHE 39 HD1 PHE 39 31.438 7.231 24.677
269 HE1 PHE 39 HE2 PHE 39 31.927 12.167 24.686
270 HE2 PHE 39 HE1 PHE 39 29.487 8.671 24.159
271 HZ PHE 39 HZ PHE 39 29.731 11.139 24.164
272 H LEU 40 HN LEU 40 32.704 6.088 26.677
273 HA LEU 40 HA LEU 40 30.352 7.119 27.764
274 HB2 LEU 40 HB2 LEU 40 29.708 4.769 28.149
275 HB3 LEU 40 HB1 LEU 40 30.438 4.985 26.557
276 HG LEU 40 HG LEU 40 32.630 4.467 28.158
277 HD11 LEU 40 HD11 LEU 40 31.136 3.876 30.039
278 HD12 LEU 40 HD12 LEU 40 32.028 2.466 29.465
279 HD13 LEU 40 HD13 LEU 40 30.334 2.679 29.021
280 HD21 LEU 40 HD21 LEU 40 30.915 2.506 26.598
281 HD22 LEU 40 HD22 LEU 40 32.602 2.254 27.047
282 HD23 LEU 40 HD23 LEU 40 32.173 3.539 25.919
283 H LEU 41 HN LEU 41 33.299 6.357 29.303
284 HA LEU 41 HA LEU 41 32.544 5.530 31.844
285 HB2 LEU 41 HB2 LEU 41 34.869 6.872 30.649
286 HB3 LEU 41 HB1 LEU 41 34.639 7.241 32.357
287 HG LEU 41 HG LEU 41 36.071 5.214 31.931
288 HD11 LEU 41 HD11 LEU 41 33.957 3.837 33.280
289 HD12 LEU 41 HD12 LEU 41 33.894 5.534 33.755
290 HD13 LEU 41 HD13 LEU 41 35.378 4.609 33.981
291 HD21 LEU 41 HD21 LEU 41 35.339 3.450 30.692
292 HD22 LEU 41 HD22 LEU 41 34.196 4.616 30.024
293 HD23 LEU 41 HD23 LEU 41 33.702 3.553 31.342
294 H GLY 42 HN GLY 42 33.150 8.899 30.815
295 HA2 GLY 42 HA2 GLY 42 31.074 9.776 32.716
296 HA3 GLY 42 HA1 GLY 42 32.669 10.519 32.771
297 H THR 43 HN THR 43 30.934 9.496 29.869
298 HA THR 43 HA THR 43 31.439 11.870 28.453
299 HB THR 43 HB THR 43 30.898 9.857 27.249
300 HG1 THR 43 HG1 THR 43 29.002 11.936 27.102
301 HG21 THR 43 HG21 THR 43 28.722 8.774 27.423
302 HG22 THR 43 HG22 THR 43 28.171 10.002 28.561
303 HG23 THR 43 HG23 THR 43 29.448 8.879 29.027
304 H THR 44 HN THR 44 28.696 10.868 30.436
305 HA THR 44 HA THR 44 27.317 13.399 29.889
306 HB THR 44 HB THR 44 25.454 12.395 31.154
307 HG1 THR 44 HG1 THR 44 26.530 11.122 32.601
308 HG21 THR 44 HG21 THR 44 26.451 11.599 28.658
309 HG22 THR 44 HG22 THR 44 24.809 11.372 29.256
310 HG23 THR 44 HG23 THR 44 26.009 10.098 29.471
311 H GLY 45 HN GLY 45 27.740 11.503 32.875
312 HA2 GLY 45 HA2 GLY 45 29.033 13.732 34.218
313 HA3 GLY 45 HA1 GLY 45 27.405 13.370 34.782
314 H ASN 46 HN ASN 46 27.054 10.928 35.209
315 HA ASN 46 HA ASN 46 27.509 9.291 36.783
316 HB2 ASN 46 HB2 ASN 46 29.530 9.208 34.639
317 HB3 ASN 46 HB1 ASN 46 29.971 8.336 36.106
318 HD21 ASN 46 HD21 ASN 46 27.873 8.306 33.314
319 HD22 ASN 46 HD22 ASN 46 27.078 6.853 33.684
320 H GLY 47 HN GLY 47 27.692 10.389 38.725
321 HA2 GLY 47 HA2 GLY 47 28.955 10.575 40.718
322 HA3 GLY 47 HA1 GLY 47 30.427 10.631 39.753
323 H LEU 48 HN LEU 48 27.929 12.594 38.544
324 HA LEU 48 HA LEU 48 28.839 14.965 40.022
325 HB2 LEU 48 HB2 LEU 48 29.610 14.327 37.331
326 HB3 LEU 48 HB1 LEU 48 28.572 15.753 37.315
327 HG LEU 48 HG LEU 48 30.967 15.411 39.141
328 HD11 LEU 48 HD11 LEU 48 30.636 16.627 36.414
329 HD12 LEU 48 HD12 LEU 48 31.965 15.656 37.044
330 HD13 LEU 48 HD13 LEU 48 31.786 17.337 37.545
331 HD21 LEU 48 HD21 LEU 48 30.131 18.118 38.635
332 HD22 LEU 48 HD22 LEU 48 30.192 17.259 40.174
333 HD23 LEU 48 HD23 LEU 48 28.740 17.178 39.174
334 H VAL 49 HN VAL 49 26.595 13.563 37.668
335 HA VAL 49 HA VAL 49 24.718 15.620 37.533
336 HB VAL 49 HB VAL 49 24.403 12.621 37.359
337 HG11 VAL 49 HG11 VAL 49 22.196 13.417 36.162
338 HG12 VAL 49 HG12 VAL 49 22.379 14.834 37.197
339 HG13 VAL 49 HG13 VAL 49 22.222 13.231 37.915
340 HG21 VAL 49 HG21 VAL 49 24.896 12.902 35.163
341 HG22 VAL 49 HG22 VAL 49 25.516 14.485 35.635
342 HG23 VAL 49 HG23 VAL 49 23.866 14.327 35.033
343 H LEU 50 HN LEU 50 25.420 13.397 40.100
344 HA LEU 50 HA LEU 50 22.916 13.865 41.496
345 HB2 LEU 50 HB2 LEU 50 24.282 12.620 43.353
346 HB3 LEU 50 HB1 LEU 50 23.714 11.726 41.942
347 HG LEU 50 HG LEU 50 26.367 13.056 41.705
348 HD11 LEU 50 HD11 LEU 50 26.726 12.148 43.867
349 HD12 LEU 50 HD12 LEU 50 27.364 10.927 42.766
350 HD13 LEU 50 HD13 LEU 50 25.779 10.704 43.508
351 HD21 LEU 50 HD21 LEU 50 25.650 10.217 41.010
352 HD22 LEU 50 HD22 LEU 50 26.782 11.304 40.205
353 HD23 LEU 50 HD23 LEU 50 25.045 11.542 40.016
354 H TRP 51 HN TRP 51 26.267 14.945 41.646
355 HA TRP 51 HA TRP 51 26.365 16.200 44.098
356 HB2 TRP 51 HB2 TRP 51 28.374 16.709 43.248
357 HB3 TRP 51 HB1 TRP 51 27.811 16.351 41.615
358 HD1 TRP 51 HD1 TRP 51 26.539 18.388 40.306
359 HE1 TRP 51 HE1 TRP 51 26.932 20.933 40.452
360 HE3 TRP 51 HE3 TRP 51 29.077 18.638 44.731
361 HZ2 TRP 51 HZ2 TRP 51 28.160 22.824 42.212
362 HZ3 TRP 51 HZ3 TRP 51 29.846 20.821 45.618
363 HH2 TRP 51 HH2 TRP 51 29.392 22.912 44.365
364 H THR 52 HN THR 52 24.630 17.158 41.224
365 HA THR 52 HA THR 52 24.098 19.849 42.075
366 HB THR 52 HB THR 52 23.040 18.061 39.904
367 HG1 THR 52 HG1 THR 52 23.937 20.664 39.548
368 HG21 THR 52 HG21 THR 52 21.038 19.152 40.453
369 HG22 THR 52 HG22 THR 52 21.742 20.222 39.239
370 HG23 THR 52 HG23 THR 52 21.868 20.627 40.951
371 H VAL 53 HN VAL 53 22.092 16.902 41.873
372 HA VAL 53 HA VAL 53 19.789 17.947 43.067
373 HB VAL 53 HB VAL 53 20.865 15.119 43.171
374 HG11 VAL 53 HG11 VAL 53 18.195 14.845 43.272
375 HG12 VAL 53 HG12 VAL 53 18.333 16.407 44.081
376 HG13 VAL 53 HG13 VAL 53 19.175 15.000 44.730
377 HG21 VAL 53 HG21 VAL 53 20.511 16.140 40.889
378 HG22 VAL 53 HG22 VAL 53 18.816 16.372 41.318
379 HG23 VAL 53 HG23 VAL 53 19.485 14.744 41.216
380 H PHE 54 HN PHE 54 22.398 16.046 44.595
381 HA PHE 54 HA PHE 54 21.521 16.105 47.214
382 HB2 PHE 54 HB2 PHE 54 23.403 14.821 47.066
383 HB3 PHE 54 HB1 PHE 54 24.173 15.896 45.898
384 HD1 PHE 54 HD2 PHE 54 23.149 15.708 49.495
385 HD2 PHE 54 HD1 PHE 54 25.825 17.413 46.598
386 HE1 PHE 54 HE2 PHE 54 24.455 16.760 51.321
387 HE2 PHE 54 HE1 PHE 54 27.132 18.464 48.425
388 HZ PHE 54 HZ PHE 54 26.448 18.137 50.786
389 H ARG 55 HN ARG 55 22.533 18.727 45.271
390 HA ARG 55 HA ARG 55 23.020 20.442 47.615
391 HB2 ARG 55 HB2 ARG 55 24.147 20.317 45.001
392 HB3 ARG 55 HB1 ARG 55 23.312 21.862 45.157
393 HG2 ARG 55 HG2 ARG 55 24.496 22.242 47.320
394 HG3 ARG 55 HG1 ARG 55 25.394 20.747 47.058
395 HD2 ARG 55 HD2 ARG 55 26.904 22.101 46.030
396 HD3 ARG 55 HD1 ARG 55 25.786 22.013 44.672
397 HE ARG 55 HE ARG 55 25.024 24.106 46.443
398 HH11 ARG 55 HH21 ARG 55 27.378 23.191 44.078
399 HH12 ARG 55 HH22 ARG 55 27.709 24.816 43.577
400 HH21 ARG 55 HH11 ARG 55 25.452 26.240 45.791
401 HH22 ARG 55 HH12 ARG 55 26.618 26.542 44.547
402 H LYS 56 HN LYS 56 20.985 20.143 44.732
403 HA LYS 56 HA LYS 56 19.536 22.440 44.715
404 HB2 LYS 56 HB2 LYS 56 18.608 19.593 44.356
405 HB3 LYS 56 HB1 LYS 56 17.536 20.969 44.098
406 HG2 LYS 56 HG2 LYS 56 20.215 21.053 42.786
407 HG3 LYS 56 HG1 LYS 56 19.014 19.949 42.113
408 HD2 LYS 56 HD2 LYS 56 17.434 21.751 41.799
409 HD3 LYS 56 HD1 LYS 56 18.477 22.879 42.664
410 HE2 LYS 56 HE2 LYS 56 19.579 21.447 40.274
411 HE3 LYS 56 HE1 LYS 56 18.490 22.811 40.019
412 HZ1 LYS 56 HZ1 LYS 56 20.539 23.822 40.125
413 HZ2 LYS 56 HZ2 LYS 56 21.134 22.763 41.314
414 HZ3 LYS 56 HZ3 LYS 56 20.011 23.969 41.730
415 H LYS 57 HN LYS 57 19.124 19.736 46.967
416 HA LYS 57 HA LYS 57 16.950 21.063 48.361
417 HB2 LYS 57 HB2 LYS 57 18.485 18.545 49.047
418 HB3 LYS 57 HB1 LYS 57 17.010 19.102 49.838
419 HG2 LYS 57 HG2 LYS 57 15.753 18.157 48.232
420 HG3 LYS 57 HG1 LYS 57 16.597 19.086 46.993
421 HD2 LYS 57 HD2 LYS 57 18.346 17.407 46.848
422 HD3 LYS 57 HD1 LYS 57 17.655 16.516 48.204
423 HE2 LYS 57 HE2 LYS 57 16.203 17.036 45.594
424 HE3 LYS 57 HE1 LYS 57 17.055 15.539 45.974
425 HZ1 LYS 57 HZ1 LYS 57 15.618 15.220 47.869
426 HZ2 LYS 57 HZ2 LYS 57 14.680 15.401 46.465
427 HZ3 LYS 57 HZ3 LYS 57 14.825 16.687 47.564
428 H GLY 58 HN GLY 58 19.265 22.642 48.295
429 HA2 GLY 58 HA2 GLY 58 20.547 22.372 50.912
430 HA3 GLY 58 HA1 GLY 58 20.988 23.516 49.647
431 H HIS 59 HN HIS 59 17.694 23.016 50.753
432 HA HIS 59 HA HIS 59 17.467 25.835 51.406
433 HB2 HIS 59 HB2 HIS 59 15.494 23.546 51.388
434 HB3 HIS 59 HB1 HIS 59 15.067 25.180 51.899
435 HD2 HIS 59 HD2 HIS 59 14.204 23.572 48.894
436 HE1 HIS 59 HE1 HIS 59 16.173 26.966 47.335
437 HE2 HIS 59 HE2 HIS 59 14.596 25.055 46.780
438 H HIS 60 HN HIS 60 16.358 22.953 53.192
439 HA HIS 60 HA HIS 60 16.102 22.651 55.473
440 HB2 HIS 60 HB2 HIS 60 18.616 22.284 54.849
441 HB3 HIS 60 HB1 HIS 60 18.867 23.779 55.751
442 HD2 HIS 60 HD2 HIS 60 17.104 20.277 56.510
443 HE1 HIS 60 HE1 HIS 60 18.673 21.863 60.094
444 HE2 HIS 60 HE2 HIS 60 17.468 19.879 59.065
445 H HIS 61 HN HIS 61 14.791 24.899 54.913
446 HA HIS 61 HA HIS 61 15.733 27.244 56.217
447 HB2 HIS 61 HB2 HIS 61 13.009 26.320 55.315
448 HB3 HIS 61 HB1 HIS 61 13.240 27.854 56.152
449 HD2 HIS 61 HD2 HIS 61 12.788 27.120 52.666
450 HE1 HIS 61 HE1 HIS 61 16.181 29.628 52.540
451 HE2 HIS 61 HE2 HIS 61 14.319 28.599 51.154
452 H HIS 62 HN HIS 62 12.805 25.487 57.186
453 HA HIS 62 HA HIS 62 11.865 25.258 59.288
454 HB2 HIS 62 HB2 HIS 62 13.618 23.401 59.039
455 HB3 HIS 62 HB1 HIS 62 14.634 24.379 60.099
456 HD2 HIS 62 HD2 HIS 62 11.125 22.533 60.300
457 HE1 HIS 62 HE1 HIS 62 12.502 23.286 64.219
458 HE2 HIS 62 HE2 HIS 62 10.684 22.163 62.846
459 H HIS 63 HN HIS 63 11.669 27.604 59.542
460 HA HIS 63 HA HIS 63 13.578 29.242 60.774
461 HB2 HIS 63 HB2 HIS 63 11.341 30.399 61.645
462 HB3 HIS 63 HB1 HIS 63 11.830 30.488 59.952
463 HD2 HIS 63 HD2 HIS 63 9.134 28.651 62.154
464 HE1 HIS 63 HE1 HIS 63 8.279 27.873 58.095
465 HE2 HIS 63 HE2 HIS 63 7.433 27.603 60.473
466 H HIS 64 HN HIS 64 14.425 29.215 62.748
467 HA HIS 64 HA HIS 64 12.998 28.922 65.141
468 HB2 HIS 64 HB2 HIS 64 12.601 26.644 64.792
469 HB3 HIS 64 HB1 HIS 64 14.169 26.389 64.025
470 HD2 HIS 64 HD2 HIS 64 13.909 28.178 67.530
471 HE1 HIS 64 HE1 HIS 64 15.792 24.439 68.077
472 HE2 HIS 64 HE2 HIS 64 15.148 26.615 69.216
Start of MODEL 14
1 H1 MET 1 HT1 MET 1 15.512 -54.447 -8.081
2 H2 MET 1 HT2 MET 1 14.518 -53.094 -7.820
3 H3 MET 1 HT3 MET 1 13.929 -54.655 -7.505
4 HA MET 1 HA MET 1 14.426 -53.837 -5.404
5 HB2 MET 1 HB2 MET 1 16.427 -55.666 -6.624
6 HB3 MET 1 HB1 MET 1 16.854 -54.973 -5.059
7 HG2 MET 1 HG2 MET 1 14.978 -55.921 -3.991
8 HG3 MET 1 HG1 MET 1 14.139 -56.200 -5.517
9 HE1 MET 1 HE1 MET 1 16.126 -59.228 -3.161
10 HE2 MET 1 HE2 MET 1 14.811 -58.077 -2.940
11 HE3 MET 1 HE3 MET 1 16.482 -57.527 -2.837
12 H GLU 2 HN GLU 2 15.298 -52.213 -4.222
13 HA GLU 2 HA GLU 2 17.173 -50.419 -5.585
14 HB2 GLU 2 HB2 GLU 2 15.555 -50.057 -3.051
15 HB3 GLU 2 HB1 GLU 2 16.573 -48.822 -3.794
16 HG2 GLU 2 HG2 GLU 2 15.151 -48.539 -5.605
17 HG3 GLU 2 HG1 GLU 2 14.499 -50.172 -5.480
18 H GLU 3 HN GLU 3 19.043 -51.771 -5.311
19 HA GLU 3 HA GLU 3 20.248 -51.452 -2.647
20 HB2 GLU 3 HB2 GLU 3 19.906 -54.019 -4.171
21 HB3 GLU 3 HB1 GLU 3 21.273 -53.804 -3.076
22 HG2 GLU 3 HG2 GLU 3 19.739 -53.278 -1.233
23 HG3 GLU 3 HG1 GLU 3 18.360 -53.441 -2.319
24 H GLY 4 HN GLY 4 21.124 -49.655 -4.098
25 HA2 GLY 4 HA2 GLY 4 23.752 -49.743 -4.527
26 HA3 GLY 4 HA1 GLY 4 23.166 -50.511 -6.000
27 H GLY 5 HN GLY 5 20.741 -48.928 -6.163
28 HA2 GLY 5 HA2 GLY 5 21.704 -46.742 -7.686
29 HA3 GLY 5 HA1 GLY 5 20.027 -47.013 -7.221
30 H ASP 6 HN ASP 6 22.961 -45.328 -6.508
31 HA ASP 6 HA ASP 6 21.529 -43.473 -4.804
32 HB2 ASP 6 HB2 ASP 6 22.754 -45.591 -3.532
33 HB3 ASP 6 HB1 ASP 6 23.986 -44.331 -3.461
34 H PHE 7 HN PHE 7 22.632 -41.498 -4.527
35 HA PHE 7 HA PHE 7 24.628 -40.983 -6.582
36 HB2 PHE 7 HB2 PHE 7 23.733 -38.876 -4.668
37 HB3 PHE 7 HB1 PHE 7 24.046 -38.763 -6.401
38 HD1 PHE 7 HD2 PHE 7 22.458 -40.958 -7.507
39 HD2 PHE 7 HD1 PHE 7 21.502 -38.200 -4.356
40 HE1 PHE 7 HE2 PHE 7 20.043 -41.271 -7.967
41 HE2 PHE 7 HE1 PHE 7 19.086 -38.513 -4.816
42 HZ PHE 7 HZ PHE 7 18.355 -40.049 -6.621
43 H ASP 8 HN ASP 8 26.501 -39.539 -6.003
44 HA ASP 8 HA ASP 8 27.514 -39.801 -3.287
45 HB2 ASP 8 HB2 ASP 8 28.128 -41.939 -4.490
46 HB3 ASP 8 HB1 ASP 8 29.107 -40.959 -5.579
47 H ASN 9 HN ASN 9 26.781 -37.522 -4.693
48 HA ASN 9 HA ASN 9 29.349 -36.130 -4.806
49 HB2 ASN 9 HB2 ASN 9 28.556 -36.942 -7.161
50 HB3 ASN 9 HB1 ASN 9 27.395 -35.622 -7.025
51 HD21 ASN 9 HD21 ASN 9 29.675 -35.747 -8.911
52 HD22 ASN 9 HD22 ASN 9 30.670 -34.424 -8.540
53 H TYR 10 HN TYR 10 27.502 -35.986 -2.784
54 HA TYR 10 HA TYR 10 25.491 -34.055 -3.007
55 HB2 TYR 10 HB2 TYR 10 26.644 -35.574 -0.945
56 HB3 TYR 10 HB1 TYR 10 26.822 -33.892 -0.446
57 HD1 TYR 10 HD2 TYR 10 24.738 -32.367 -0.651
58 HD2 TYR 10 HD1 TYR 10 24.567 -36.658 -0.737
59 HE1 TYR 10 HE2 TYR 10 22.328 -32.283 -0.071
60 HE2 TYR 10 HE1 TYR 10 22.157 -36.574 -0.156
61 HH TYR 10 HH TYR 10 20.244 -34.606 -0.538
62 H TYR 11 HN TYR 11 25.440 -31.853 -2.844
63 HA TYR 11 HA TYR 11 27.577 -30.325 -3.747
64 HB2 TYR 11 HB2 TYR 11 25.336 -29.358 -1.956
65 HB3 TYR 11 HB1 TYR 11 26.301 -28.381 -3.062
66 HD1 TYR 11 HD1 TYR 11 26.070 -28.648 -5.514
67 HD2 TYR 11 HD2 TYR 11 23.567 -30.796 -2.762
68 HE1 TYR 11 HE1 TYR 11 24.505 -29.189 -7.359
69 HE2 TYR 11 HE2 TYR 11 22.002 -31.338 -4.608
70 HH TYR 11 HH TYR 11 22.511 -31.468 -7.469
71 H GLY 12 HN GLY 12 29.504 -30.089 -2.817
72 HA2 GLY 12 HA2 GLY 12 29.679 -29.989 0.126
73 HA3 GLY 12 HA1 GLY 12 31.006 -30.380 -0.965
74 H ALA 13 HN ALA 13 29.056 -27.804 0.385
75 HA ALA 13 HA ALA 13 31.175 -25.891 -0.342
76 HB1 ALA 13 HB1 ALA 13 28.202 -25.446 -0.695
77 HB2 ALA 13 HB2 ALA 13 29.411 -25.536 -1.976
78 HB3 ALA 13 HB3 ALA 13 29.430 -24.188 -0.839
79 H ASP 14 HN ASP 14 31.015 -27.107 2.109
80 HA ASP 14 HA ASP 14 29.645 -25.208 3.889
81 HB2 ASP 14 HB2 ASP 14 29.947 -26.823 5.625
82 HB3 ASP 14 HB1 ASP 14 29.402 -27.707 4.202
83 H ASN 15 HN ASN 15 31.722 -24.024 2.599
84 HA ASN 15 HA ASN 15 33.699 -23.712 4.766
85 HB2 ASN 15 HB2 ASN 15 34.196 -24.251 1.860
86 HB3 ASN 15 HB1 ASN 15 35.337 -23.257 2.767
87 HD21 ASN 15 HD21 ASN 15 34.539 -26.477 2.004
88 HD22 ASN 15 HD22 ASN 15 35.445 -27.241 3.219
89 H GLN 16 HN GLN 16 33.687 -22.238 1.584
90 HA GLN 16 HA GLN 16 33.984 -19.957 1.124
91 HB2 GLN 16 HB2 GLN 16 31.659 -18.895 1.361
92 HB3 GLN 16 HB1 GLN 16 31.797 -20.352 0.376
93 HG2 GLN 16 HG2 GLN 16 31.020 -21.731 2.230
94 HG3 GLN 16 HG1 GLN 16 30.975 -20.325 3.293
95 HE21 GLN 16 HE21 GLN 16 29.242 -22.071 0.821
96 HE22 GLN 16 HE22 GLN 16 27.893 -21.043 0.763
97 H SER 17 HN SER 17 35.243 -20.235 3.512
98 HA SER 17 HA SER 17 34.131 -18.208 5.322
99 HB2 SER 17 HB2 SER 17 35.928 -20.501 5.603
100 HB3 SER 17 HB1 SER 17 36.516 -19.057 6.422
101 HG SER 17 HG SER 17 33.914 -20.180 6.659
102 H GLU 18 HN GLU 18 34.670 -16.164 4.938
103 HA GLU 18 HA GLU 18 37.258 -15.577 3.655
104 HB2 GLU 18 HB2 GLU 18 34.674 -14.047 3.899
105 HB3 GLU 18 HB1 GLU 18 36.176 -13.249 3.433
106 HG2 GLU 18 HG2 GLU 18 36.445 -14.862 1.573
107 HG3 GLU 18 HG1 GLU 18 34.919 -15.620 2.023
108 H CYS 19 HN CYS 19 38.857 -15.125 5.021
109 HA CYS 19 HA CYS 19 38.314 -14.125 7.694
110 HB2 CYS 19 HB2 CYS 19 40.988 -14.606 6.363
111 HB3 CYS 19 HB1 CYS 19 40.671 -14.443 8.091
112 HG CYS 19 HG CYS 19 39.066 -16.728 6.891
113 H GLU 20 HN GLU 20 37.464 -12.306 5.776
114 HA GLU 20 HA GLU 20 39.123 -10.012 6.465
115 HB2 GLU 20 HB2 GLU 20 40.181 -10.588 4.404
116 HB3 GLU 20 HB1 GLU 20 38.632 -10.887 3.615
117 HG2 GLU 20 HG2 GLU 20 38.127 -8.624 3.438
118 HG3 GLU 20 HG1 GLU 20 39.163 -8.182 4.794
119 H TYR 21 HN TYR 21 36.246 -11.319 4.896
120 HA TYR 21 HA TYR 21 34.833 -8.846 4.737
121 HB2 TYR 21 HB2 TYR 21 34.409 -11.165 3.556
122 HB3 TYR 21 HB1 TYR 21 33.408 -11.466 4.976
123 HD1 TYR 21 HD2 TYR 21 34.020 -8.960 2.268
124 HD2 TYR 21 HD1 TYR 21 31.239 -10.560 5.123
125 HE1 TYR 21 HE2 TYR 21 32.218 -7.562 1.294
126 HE2 TYR 21 HE1 TYR 21 29.436 -9.161 4.150
127 HH TYR 21 HH TYR 21 29.147 -8.061 1.585
128 H THR 22 HN THR 22 35.981 -10.139 7.399
129 HA THR 22 HA THR 22 33.745 -9.168 9.036
130 HB THR 22 HB THR 22 35.119 -11.581 10.070
131 HG1 THR 22 HG1 THR 22 33.073 -11.789 8.130
132 HG21 THR 22 HG21 THR 22 33.183 -10.177 11.090
133 HG22 THR 22 HG22 THR 22 33.050 -11.935 11.129
134 HG23 THR 22 HG23 THR 22 32.166 -11.012 9.914
135 H ASP 23 HN ASP 23 36.614 -8.423 8.213
136 HA ASP 23 HA ASP 23 37.494 -7.751 10.940
137 HB2 ASP 23 HB2 ASP 23 39.484 -8.793 10.776
138 HB3 ASP 23 HB1 ASP 23 38.748 -9.713 9.465
139 H TRP 24 HN TRP 24 36.450 -6.612 8.123
140 HA TRP 24 HA TRP 24 38.282 -4.749 7.182
141 HB2 TRP 24 HB2 TRP 24 36.061 -3.381 6.729
142 HB3 TRP 24 HB1 TRP 24 36.402 -4.868 5.853
143 HD1 TRP 24 HD1 TRP 24 35.328 -5.015 9.502
144 HE1 TRP 24 HE1 TRP 24 32.996 -6.099 9.642
145 HE3 TRP 24 HE3 TRP 24 34.163 -5.245 4.535
146 HZ2 TRP 24 HZ2 TRP 24 30.910 -6.954 7.880
147 HZ3 TRP 24 HZ3 TRP 24 31.999 -6.199 3.795
148 HH2 TRP 24 HH2 TRP 24 30.372 -7.052 5.460
149 H LYS 25 HN LYS 25 35.574 -3.107 8.533
150 HA LYS 25 HA LYS 25 37.349 -1.372 10.043
151 HB2 LYS 25 HB2 LYS 25 35.263 -0.067 10.455
152 HB3 LYS 25 HB1 LYS 25 35.601 -0.322 8.744
153 HG2 LYS 25 HG2 LYS 25 33.673 -1.447 8.459
154 HG3 LYS 25 HG1 LYS 25 34.039 -2.518 9.814
155 HD2 LYS 25 HD2 LYS 25 33.231 -0.795 11.389
156 HD3 LYS 25 HD1 LYS 25 32.844 0.261 10.030
157 HE2 LYS 25 HE2 LYS 25 31.677 -2.511 10.407
158 HE3 LYS 25 HE1 LYS 25 30.863 -1.023 10.891
159 HZ1 LYS 25 HZ1 LYS 25 31.822 -0.842 8.226
160 HZ2 LYS 25 HZ2 LYS 25 30.239 -0.653 8.814
161 HZ3 LYS 25 HZ3 LYS 25 30.818 -2.198 8.404
162 H SER 26 HN SER 26 37.679 -3.619 11.299
163 HA SER 26 HA SER 26 36.363 -3.204 13.861
164 HB2 SER 26 HB2 SER 26 35.730 -5.471 12.079
165 HB3 SER 26 HB1 SER 26 36.097 -5.906 13.746
166 HG SER 26 HG SER 26 33.897 -4.734 12.718
167 H SER 27 HN SER 27 37.987 -6.073 12.554
168 HA SER 27 HA SER 27 39.885 -7.175 13.245
169 HB2 SER 27 HB2 SER 27 40.811 -4.305 13.480
170 HB3 SER 27 HB1 SER 27 41.880 -5.699 13.599
171 HG SER 27 HG SER 27 40.321 -5.971 11.450
172 H GLY 28 HN GLY 28 37.888 -6.749 15.244
173 HA2 GLY 28 HA2 GLY 28 37.646 -7.126 17.505
174 HA3 GLY 28 HA1 GLY 28 39.387 -7.386 17.580
175 H ALA 29 HN ALA 29 38.633 -4.432 16.141
176 HA ALA 29 HA ALA 29 38.997 -2.261 16.804
177 HB1 ALA 29 HB1 ALA 29 37.501 -3.361 19.187
178 HB2 ALA 29 HB2 ALA 29 36.845 -2.441 17.832
179 HB3 ALA 29 HB3 ALA 29 37.903 -1.653 19.002
180 H LEU 30 HN LEU 30 41.229 -2.198 16.903
181 HA LEU 30 HA LEU 30 42.710 -3.175 19.157
182 HB2 LEU 30 HB2 LEU 30 43.537 -1.242 16.978
183 HB3 LEU 30 HB1 LEU 30 44.624 -2.071 18.093
184 HG LEU 30 HG LEU 30 43.102 -4.140 17.053
185 HD11 LEU 30 HD11 LEU 30 42.170 -2.573 15.366
186 HD12 LEU 30 HD12 LEU 30 43.154 -3.830 14.618
187 HD13 LEU 30 HD13 LEU 30 43.808 -2.206 14.825
188 HD21 LEU 30 HD21 LEU 30 45.772 -3.055 16.095
189 HD22 LEU 30 HD22 LEU 30 45.180 -4.694 15.816
190 HD23 LEU 30 HD23 LEU 30 45.532 -4.150 17.457
191 H ILE 31 HN ILE 31 42.890 0.148 17.951
192 HA ILE 31 HA ILE 31 43.167 1.130 20.657
193 HB ILE 31 HB ILE 31 43.456 2.299 17.922
194 HG12 ILE 31 HG12 ILE 31 45.238 1.198 19.545
195 HG13 ILE 31 HG11 ILE 31 45.655 2.617 18.585
196 HG21 ILE 31 HG21 ILE 31 42.866 3.833 20.457
197 HG22 ILE 31 HG22 ILE 31 42.163 4.046 18.853
198 HG23 ILE 31 HG23 ILE 31 43.827 4.538 19.157
199 HD11 ILE 31 HD11 ILE 31 46.238 2.654 21.110
200 HD12 ILE 31 HD12 ILE 31 44.512 2.905 21.363
201 HD13 ILE 31 HD13 ILE 31 45.444 4.074 20.431
202 HA PRO 32 HA PRO 32 38.944 3.203 19.206
203 HB2 PRO 32 HB2 PRO 32 37.708 0.747 18.082
204 HB3 PRO 32 HB1 PRO 32 37.608 2.424 17.513
205 HG2 PRO 32 HG2 PRO 32 39.059 0.590 16.230
206 HG3 PRO 32 HG1 PRO 32 39.568 2.284 16.335
207 HD2 PRO 32 HD2 PRO 32 40.603 -0.093 17.831
208 HD3 PRO 32 HD1 PRO 32 41.478 1.333 17.232
209 H ALA 33 HN ALA 33 39.472 -0.091 20.289
210 HA ALA 33 HA ALA 33 37.120 -0.359 21.866
211 HB1 ALA 33 HB1 ALA 33 39.810 -1.735 21.984
212 HB2 ALA 33 HB2 ALA 33 38.322 -2.342 21.255
213 HB3 ALA 33 HB3 ALA 33 38.444 -2.181 23.007
214 H ILE 34 HN ILE 34 40.154 1.245 22.350
215 HA ILE 34 HA ILE 34 39.808 1.450 25.236
216 HB ILE 34 HB ILE 34 41.875 2.613 23.355
217 HG12 ILE 34 HG12 ILE 34 42.152 0.452 25.460
218 HG13 ILE 34 HG11 ILE 34 41.821 0.100 23.764
219 HG21 ILE 34 HG21 ILE 34 41.763 4.102 25.208
220 HG22 ILE 34 HG22 ILE 34 43.089 3.002 25.585
221 HG23 ILE 34 HG23 ILE 34 41.518 2.782 26.352
222 HD11 ILE 34 HD11 ILE 34 43.890 1.047 23.058
223 HD12 ILE 34 HD12 ILE 34 44.284 0.060 24.465
224 HD13 ILE 34 HD13 ILE 34 44.159 1.811 24.623
225 H TYR 35 HN TYR 35 39.220 3.319 22.354
226 HA TYR 35 HA TYR 35 39.003 5.884 23.516
227 HB2 TYR 35 HB2 TYR 35 38.255 4.602 20.977
228 HB3 TYR 35 HB1 TYR 35 37.217 5.950 21.443
229 HD1 TYR 35 HD2 TYR 35 38.371 8.143 22.178
230 HD2 TYR 35 HD1 TYR 35 40.377 5.004 20.041
231 HE1 TYR 35 HE2 TYR 35 40.133 9.743 21.483
232 HE2 TYR 35 HE1 TYR 35 42.140 6.604 19.345
233 HH TYR 35 HH TYR 35 42.176 9.274 19.030
234 H MET 36 HN MET 36 36.499 3.462 22.753
235 HA MET 36 HA MET 36 34.327 4.899 23.825
236 HB2 MET 36 HB2 MET 36 34.711 1.907 23.562
237 HB3 MET 36 HB1 MET 36 33.173 2.714 23.867
238 HG2 MET 36 HG2 MET 36 33.007 3.513 21.722
239 HG3 MET 36 HG1 MET 36 34.753 3.694 21.544
240 HE1 MET 36 HE1 MET 36 34.368 1.320 18.660
241 HE2 MET 36 HE2 MET 36 35.194 2.717 19.343
242 HE3 MET 36 HE3 MET 36 33.450 2.764 19.104
243 H LEU 37 HN LEU 37 36.509 2.510 25.280
244 HA LEU 37 HA LEU 37 35.252 2.238 27.761
245 HB2 LEU 37 HB2 LEU 37 37.926 1.728 26.652
246 HB3 LEU 37 HB1 LEU 37 37.925 2.058 28.382
247 HG LEU 37 HG LEU 37 37.641 -0.377 27.805
248 HD11 LEU 37 HD11 LEU 37 36.171 1.220 29.659
249 HD12 LEU 37 HD12 LEU 37 36.624 -0.476 29.807
250 HD13 LEU 37 HD13 LEU 37 35.090 -0.036 29.058
251 HD21 LEU 37 HD21 LEU 37 35.945 0.549 25.864
252 HD22 LEU 37 HD22 LEU 37 34.801 0.034 27.104
253 HD23 LEU 37 HD23 LEU 37 35.967 -1.115 26.449
254 H VAL 38 HN VAL 38 36.421 5.023 26.399
255 HA VAL 38 HA VAL 38 36.637 6.320 29.042
256 HB VAL 38 HB VAL 38 38.388 6.858 26.632
257 HG11 VAL 38 HG11 VAL 38 39.500 8.251 28.657
258 HG12 VAL 38 HG12 VAL 38 37.807 8.351 29.141
259 HG13 VAL 38 HG13 VAL 38 38.310 8.955 27.562
260 HG21 VAL 38 HG21 VAL 38 38.834 5.537 29.313
261 HG22 VAL 38 HG22 VAL 38 40.170 6.227 28.390
262 HG23 VAL 38 HG23 VAL 38 39.215 4.910 27.709
263 H PHE 39 HN PHE 39 34.797 6.025 26.440
264 HA PHE 39 HA PHE 39 34.171 8.908 26.221
265 HB2 PHE 39 HB2 PHE 39 34.818 7.418 24.153
266 HB3 PHE 39 HB1 PHE 39 33.145 6.873 24.281
267 HD1 PHE 39 HD2 PHE 39 35.108 10.072 24.410
268 HD2 PHE 39 HD1 PHE 39 31.525 8.086 23.118
269 HE1 PHE 39 HE2 PHE 39 34.349 12.158 23.304
270 HE2 PHE 39 HE1 PHE 39 30.766 10.171 22.014
271 HZ PHE 39 HZ PHE 39 32.178 12.207 22.107
272 H LEU 40 HN LEU 40 33.216 6.248 27.846
273 HA LEU 40 HA LEU 40 30.419 7.183 27.962
274 HB2 LEU 40 HB2 LEU 40 29.677 4.834 28.200
275 HB3 LEU 40 HB1 LEU 40 30.423 5.137 26.632
276 HG LEU 40 HG LEU 40 32.590 4.407 28.177
277 HD11 LEU 40 HD11 LEU 40 31.090 3.771 30.038
278 HD12 LEU 40 HD12 LEU 40 31.903 2.359 29.365
279 HD13 LEU 40 HD13 LEU 40 30.218 2.683 28.959
280 HD21 LEU 40 HD21 LEU 40 32.063 3.637 25.890
281 HD22 LEU 40 HD22 LEU 40 30.770 2.622 26.528
282 HD23 LEU 40 HD23 LEU 40 32.450 2.271 26.935
283 H LEU 41 HN LEU 41 33.273 6.135 29.546
284 HA LEU 41 HA LEU 41 32.322 5.264 32.020
285 HB2 LEU 41 HB2 LEU 41 34.837 6.428 30.992
286 HB3 LEU 41 HB1 LEU 41 34.576 6.600 32.728
287 HG LEU 41 HG LEU 41 34.193 4.188 32.935
288 HD11 LEU 41 HD11 LEU 41 34.939 2.919 30.705
289 HD12 LEU 41 HD12 LEU 41 34.289 4.377 29.956
290 HD13 LEU 41 HD13 LEU 41 33.260 3.380 30.984
291 HD21 LEU 41 HD21 LEU 41 36.479 4.801 33.223
292 HD22 LEU 41 HD22 LEU 41 36.703 5.066 31.494
293 HD23 LEU 41 HD23 LEU 41 36.510 3.428 32.117
294 H GLY 42 HN GLY 42 33.363 8.571 31.147
295 HA2 GLY 42 HA2 GLY 42 31.296 9.651 32.931
296 HA3 GLY 42 HA1 GLY 42 32.970 10.102 33.242
297 H THR 43 HN THR 43 31.211 9.669 30.177
298 HA THR 43 HA THR 43 32.302 12.152 29.159
299 HB THR 43 HB THR 43 31.872 9.964 27.842
300 HG1 THR 43 HG1 THR 43 32.488 11.745 26.732
301 HG21 THR 43 HG21 THR 43 29.704 9.571 27.016
302 HG22 THR 43 HG22 THR 43 29.150 11.189 27.446
303 HG23 THR 43 HG23 THR 43 29.422 9.986 28.706
304 H THR 44 HN THR 44 29.275 10.991 30.467
305 HA THR 44 HA THR 44 27.862 13.434 29.707
306 HB THR 44 HB THR 44 26.027 12.213 31.139
307 HG1 THR 44 HG1 THR 44 27.828 10.667 31.739
308 HG21 THR 44 HG21 THR 44 25.794 10.601 29.022
309 HG22 THR 44 HG22 THR 44 27.053 11.665 28.392
310 HG23 THR 44 HG23 THR 44 25.502 12.337 28.899
311 H GLY 45 HN GLY 45 27.595 11.745 32.793
312 HA2 GLY 45 HA2 GLY 45 28.846 13.907 34.273
313 HA3 GLY 45 HA1 GLY 45 27.098 13.804 34.461
314 H ASN 46 HN ASN 46 28.727 10.845 33.868
315 HA ASN 46 HA ASN 46 27.915 9.761 36.393
316 HB2 ASN 46 HB2 ASN 46 29.407 8.736 34.006
317 HB3 ASN 46 HB1 ASN 46 29.441 7.813 35.507
318 HD21 ASN 46 HD21 ASN 46 27.500 8.622 32.745
319 HD22 ASN 46 HD22 ASN 46 26.100 7.794 33.230
320 H GLY 47 HN GLY 47 29.151 11.521 37.590
321 HA2 GLY 47 HA2 GLY 47 31.435 10.368 38.828
322 HA3 GLY 47 HA1 GLY 47 31.925 11.669 37.747
323 H LEU 48 HN LEU 48 30.196 13.621 38.008
324 HA LEU 48 HA LEU 48 30.479 14.427 40.807
325 HB2 LEU 48 HB2 LEU 48 30.613 15.762 38.288
326 HB3 LEU 48 HB1 LEU 48 29.295 16.476 39.218
327 HG LEU 48 HG LEU 48 32.105 16.034 40.272
328 HD11 LEU 48 HD11 LEU 48 32.457 18.392 39.977
329 HD12 LEU 48 HD12 LEU 48 30.772 18.648 39.526
330 HD13 LEU 48 HD13 LEU 48 31.852 17.776 38.439
331 HD21 LEU 48 HD21 LEU 48 30.642 17.999 41.712
332 HD22 LEU 48 HD22 LEU 48 31.164 16.415 42.285
333 HD23 LEU 48 HD23 LEU 48 29.579 16.604 41.535
334 H VAL 49 HN VAL 49 28.047 13.528 38.495
335 HA VAL 49 HA VAL 49 25.777 14.691 39.685
336 HB VAL 49 HB VAL 49 26.058 12.127 38.103
337 HG11 VAL 49 HG11 VAL 49 23.716 13.550 39.289
338 HG12 VAL 49 HG12 VAL 49 23.960 11.825 39.014
339 HG13 VAL 49 HG13 VAL 49 23.527 12.880 37.668
340 HG21 VAL 49 HG21 VAL 49 24.970 14.788 37.179
341 HG22 VAL 49 HG22 VAL 49 25.548 13.440 36.200
342 HG23 VAL 49 HG23 VAL 49 26.696 14.430 37.101
343 H LEU 50 HN LEU 50 27.754 12.027 40.639
344 HA LEU 50 HA LEU 50 25.733 10.921 42.430
345 HB2 LEU 50 HB2 LEU 50 28.593 10.062 42.503
346 HB3 LEU 50 HB1 LEU 50 27.127 9.100 42.684
347 HG LEU 50 HG LEU 50 28.197 10.295 40.110
348 HD11 LEU 50 HD11 LEU 50 27.925 7.477 41.180
349 HD12 LEU 50 HD12 LEU 50 29.400 8.303 40.680
350 HD13 LEU 50 HD13 LEU 50 28.204 7.830 39.474
351 HD21 LEU 50 HD21 LEU 50 25.930 10.403 39.692
352 HD22 LEU 50 HD22 LEU 50 25.545 9.164 40.885
353 HD23 LEU 50 HD23 LEU 50 26.189 8.701 39.311
354 H TRP 51 HN TRP 51 28.441 13.089 42.495
355 HA TRP 51 HA TRP 51 29.045 12.958 45.261
356 HB2 TRP 51 HB2 TRP 51 30.717 14.112 44.236
357 HB3 TRP 51 HB1 TRP 51 29.644 14.777 43.005
358 HD1 TRP 51 HD1 TRP 51 28.162 16.925 43.700
359 HE1 TRP 51 HE1 TRP 51 28.603 18.776 45.443
360 HE3 TRP 51 HE3 TRP 51 31.775 14.653 46.505
361 HZ2 TRP 51 HZ2 TRP 51 30.270 19.230 47.722
362 HZ3 TRP 51 HZ3 TRP 51 32.771 15.816 48.453
363 HH2 TRP 51 HH2 TRP 51 32.024 18.099 49.065
364 H THR 52 HN THR 52 26.321 14.081 43.615
365 HA THR 52 HA THR 52 25.602 16.100 45.595
366 HB THR 52 HB THR 52 24.436 15.139 43.007
367 HG1 THR 52 HG1 THR 52 25.367 17.512 44.168
368 HG21 THR 52 HG21 THR 52 22.446 15.148 44.269
369 HG22 THR 52 HG22 THR 52 22.509 16.773 43.588
370 HG23 THR 52 HG23 THR 52 22.980 16.502 45.266
371 H VAL 53 HN VAL 53 24.237 13.043 44.364
372 HA VAL 53 HA VAL 53 22.100 12.696 46.025
373 HB VAL 53 HB VAL 53 24.112 10.624 45.122
374 HG11 VAL 53 HG11 VAL 53 21.462 10.393 46.546
375 HG12 VAL 53 HG12 VAL 53 22.982 9.576 46.911
376 HG13 VAL 53 HG13 VAL 53 22.042 9.102 45.494
377 HG21 VAL 53 HG21 VAL 53 22.272 10.143 43.467
378 HG22 VAL 53 HG22 VAL 53 23.002 11.738 43.275
379 HG23 VAL 53 HG23 VAL 53 21.433 11.576 44.062
380 H PHE 54 HN PHE 54 25.337 11.385 46.754
381 HA PHE 54 HA PHE 54 24.767 10.705 49.425
382 HB2 PHE 54 HB2 PHE 54 26.839 9.846 49.346
383 HB3 PHE 54 HB1 PHE 54 26.910 10.415 47.678
384 HD1 PHE 54 HD2 PHE 54 27.622 12.884 47.305
385 HD2 PHE 54 HD1 PHE 54 28.329 10.716 50.945
386 HE1 PHE 54 HE2 PHE 54 29.402 14.498 47.921
387 HE2 PHE 54 HE1 PHE 54 30.109 12.329 51.561
388 HZ PHE 54 HZ PHE 54 30.644 14.220 50.049
389 H ARG 55 HN ARG 55 24.661 13.708 48.190
390 HA ARG 55 HA ARG 55 25.769 14.987 50.614
391 HB2 ARG 55 HB2 ARG 55 26.051 15.604 47.840
392 HB3 ARG 55 HB1 ARG 55 25.168 16.919 48.615
393 HG2 ARG 55 HG2 ARG 55 27.764 15.754 49.670
394 HG3 ARG 55 HG1 ARG 55 27.657 17.217 48.690
395 HD2 ARG 55 HD2 ARG 55 27.151 18.432 50.508
396 HD3 ARG 55 HD1 ARG 55 25.757 17.406 50.829
397 HE ARG 55 HE ARG 55 27.014 16.271 52.430
398 HH11 ARG 55 HH21 ARG 55 29.005 18.281 50.437
399 HH12 ARG 55 HH22 ARG 55 30.420 18.087 51.417
400 HH21 ARG 55 HH11 ARG 55 28.865 16.014 53.721
401 HH22 ARG 55 HH12 ARG 55 30.340 16.805 53.276
402 H LYS 56 HN LYS 56 23.179 15.534 48.212
403 HA LYS 56 HA LYS 56 21.613 17.298 49.572
404 HB2 LYS 56 HB2 LYS 56 19.804 16.629 48.230
405 HB3 LYS 56 HB1 LYS 56 21.224 16.203 47.275
406 HG2 LYS 56 HG2 LYS 56 21.058 13.883 48.375
407 HG3 LYS 56 HG1 LYS 56 19.440 14.373 48.883
408 HD2 LYS 56 HD2 LYS 56 20.445 14.356 46.021
409 HD3 LYS 56 HD1 LYS 56 19.375 13.147 46.733
410 HE2 LYS 56 HE2 LYS 56 17.872 14.609 45.676
411 HE3 LYS 56 HE1 LYS 56 17.868 15.185 47.342
412 HZ1 LYS 56 HZ1 LYS 56 18.629 17.134 46.666
413 HZ2 LYS 56 HZ2 LYS 56 18.530 16.610 45.052
414 HZ3 LYS 56 HZ3 LYS 56 19.972 16.409 45.928
415 H LYS 57 HN LYS 57 21.700 13.780 50.064
416 HA LYS 57 HA LYS 57 19.764 14.002 52.238
417 HB2 LYS 57 HB2 LYS 57 20.044 11.524 52.387
418 HB3 LYS 57 HB1 LYS 57 19.504 12.082 50.804
419 HG2 LYS 57 HG2 LYS 57 22.319 12.145 50.702
420 HG3 LYS 57 HG1 LYS 57 21.907 10.625 51.495
421 HD2 LYS 57 HD2 LYS 57 20.742 11.604 48.873
422 HD3 LYS 57 HD1 LYS 57 21.981 10.357 49.037
423 HE2 LYS 57 HE2 LYS 57 19.948 9.551 50.780
424 HE3 LYS 57 HE1 LYS 57 19.096 10.136 49.352
425 HZ1 LYS 57 HZ1 LYS 57 21.423 8.341 49.095
426 HZ2 LYS 57 HZ2 LYS 57 20.166 8.622 47.988
427 HZ3 LYS 57 HZ3 LYS 57 19.876 7.714 49.394
428 H GLY 58 HN GLY 58 22.153 15.418 52.641
429 HA2 GLY 58 HA2 GLY 58 24.259 14.299 53.948
430 HA3 GLY 58 HA1 GLY 58 23.536 15.822 54.455
431 H HIS 59 HN HIS 59 21.974 15.822 56.130
432 HA HIS 59 HA HIS 59 22.157 13.462 57.888
433 HB2 HIS 59 HB2 HIS 59 22.065 16.369 58.328
434 HB3 HIS 59 HB1 HIS 59 21.023 15.439 59.406
435 HD2 HIS 59 HD2 HIS 59 24.819 14.966 58.235
436 HE1 HIS 59 HE1 HIS 59 24.484 14.049 62.342
437 HE2 HIS 59 HE2 HIS 59 26.094 14.212 60.385
438 H HIS 60 HN HIS 60 19.739 16.050 57.492
439 HA HIS 60 HA HIS 60 17.431 15.930 57.647
440 HB2 HIS 60 HB2 HIS 60 18.116 15.253 55.246
441 HB3 HIS 60 HB1 HIS 60 17.683 13.616 55.741
442 HD2 HIS 60 HD2 HIS 60 15.847 17.155 55.638
443 HE1 HIS 60 HE1 HIS 60 12.975 14.082 55.277
444 HE2 HIS 60 HE2 HIS 60 13.321 16.598 55.281
445 H HIS 61 HN HIS 61 17.064 15.227 59.751
446 HA HIS 61 HA HIS 61 17.281 12.548 60.626
447 HB2 HIS 61 HB2 HIS 61 15.538 14.784 61.688
448 HB3 HIS 61 HB1 HIS 61 15.907 13.283 62.537
449 HD2 HIS 61 HD2 HIS 61 19.118 14.210 60.861
450 HE1 HIS 61 HE1 HIS 61 19.252 16.242 64.559
451 HE2 HIS 61 HE2 HIS 61 20.625 15.508 62.553
452 H HIS 62 HN HIS 62 14.829 12.003 61.834
453 HA HIS 62 HA HIS 62 12.705 12.009 59.905
454 HB2 HIS 62 HB2 HIS 62 13.661 10.252 58.759
455 HB3 HIS 62 HB1 HIS 62 14.488 9.632 60.189
456 HD2 HIS 62 HD2 HIS 62 12.842 8.013 61.907
457 HE1 HIS 62 HE1 HIS 62 9.632 7.712 59.182
458 HE2 HIS 62 HE2 HIS 62 10.592 6.811 61.354
459 H HIS 63 HN HIS 63 10.749 11.430 60.811
460 HA HIS 63 HA HIS 63 10.563 10.028 63.306
461 HB2 HIS 63 HB2 HIS 63 10.788 12.931 63.314
462 HB3 HIS 63 HB1 HIS 63 9.287 12.378 64.058
463 HD2 HIS 63 HD2 HIS 63 12.915 12.817 65.067
464 HE1 HIS 63 HE1 HIS 63 11.362 9.924 67.721
465 HE2 HIS 63 HE2 HIS 63 13.319 11.479 67.273
466 H HIS 64 HN HIS 64 8.502 9.301 63.689
467 HA HIS 64 HA HIS 64 6.691 9.143 61.570
468 HB2 HIS 64 HB2 HIS 64 6.901 7.834 63.884
469 HB3 HIS 64 HB1 HIS 64 5.636 8.970 64.353
470 HD2 HIS 64 HD2 HIS 64 3.112 8.339 63.361
471 HE1 HIS 64 HE1 HIS 64 4.311 5.313 60.673
472 HE2 HIS 64 HE2 HIS 64 2.309 6.490 61.700
Start of MODEL 15
1 H1 MET 1 HT1 MET 1 -6.720 8.322 29.942
2 H2 MET 1 HT2 MET 1 -6.073 7.880 28.434
3 H3 MET 1 HT3 MET 1 -5.264 7.455 29.866
4 HA MET 1 HA MET 1 -7.066 5.994 30.502
5 HB2 MET 1 HB2 MET 1 -8.378 7.482 28.376
6 HB3 MET 1 HB1 MET 1 -8.526 5.743 28.122
7 HG2 MET 1 HG2 MET 1 -9.423 5.447 30.368
8 HG3 MET 1 HG1 MET 1 -9.173 7.156 30.726
9 HE1 MET 1 HE1 MET 1 -11.489 6.465 31.563
10 HE2 MET 1 HE2 MET 1 -12.218 5.219 30.554
11 HE3 MET 1 HE3 MET 1 -12.964 6.812 30.650
12 H GLU 2 HN GLU 2 -7.719 3.958 28.900
13 HA GLU 2 HA GLU 2 -5.956 3.308 26.806
14 HB2 GLU 2 HB2 GLU 2 -4.585 1.595 28.147
15 HB3 GLU 2 HB1 GLU 2 -4.124 3.292 28.295
16 HG2 GLU 2 HG2 GLU 2 -4.738 3.394 30.480
17 HG3 GLU 2 HG1 GLU 2 -6.188 2.427 30.213
18 H GLU 3 HN GLU 3 -7.992 2.525 26.079
19 HA GLU 3 HA GLU 3 -8.603 -0.170 27.098
20 HB2 GLU 3 HB2 GLU 3 -10.522 2.124 26.764
21 HB3 GLU 3 HB1 GLU 3 -11.075 0.454 26.631
22 HG2 GLU 3 HG2 GLU 3 -9.376 1.233 28.974
23 HG3 GLU 3 HG1 GLU 3 -11.083 1.674 28.975
24 H GLY 4 HN GLY 4 -7.085 -0.099 24.998
25 HA2 GLY 4 HA2 GLY 4 -8.330 -1.452 22.969
26 HA3 GLY 4 HA1 GLY 4 -8.463 0.239 22.495
27 H GLY 5 HN GLY 5 -6.280 1.473 22.808
28 HA2 GLY 5 HA2 GLY 5 -3.887 1.409 22.665
29 HA3 GLY 5 HA1 GLY 5 -4.003 -0.228 22.025
30 H ASP 6 HN ASP 6 -2.516 1.892 20.834
31 HA ASP 6 HA ASP 6 -3.675 1.817 18.172
32 HB2 ASP 6 HB2 ASP 6 -4.642 3.869 19.291
33 HB3 ASP 6 HB1 ASP 6 -2.998 4.498 19.389
34 H PHE 7 HN PHE 7 -1.657 0.430 18.283
35 HA PHE 7 HA PHE 7 0.914 1.546 18.563
36 HB2 PHE 7 HB2 PHE 7 1.428 -0.452 16.874
37 HB3 PHE 7 HB1 PHE 7 1.020 -0.749 18.564
38 HD1 PHE 7 HD2 PHE 7 -0.200 -0.856 15.092
39 HD2 PHE 7 HD1 PHE 7 -1.186 -1.583 19.210
40 HE1 PHE 7 HE2 PHE 7 -2.206 -2.134 14.386
41 HE2 PHE 7 HE1 PHE 7 -3.190 -2.860 18.504
42 HZ PHE 7 HZ PHE 7 -3.701 -3.137 16.093
43 H ASP 8 HN ASP 8 2.257 2.596 17.185
44 HA ASP 8 HA ASP 8 1.560 2.829 14.356
45 HB2 ASP 8 HB2 ASP 8 1.680 5.171 16.259
46 HB3 ASP 8 HB1 ASP 8 1.838 5.347 14.513
47 H ASN 9 HN ASN 9 3.680 1.453 15.486
48 HA ASN 9 HA ASN 9 5.947 3.038 14.487
49 HB2 ASN 9 HB2 ASN 9 5.643 2.877 17.135
50 HB3 ASN 9 HB1 ASN 9 6.440 1.327 16.874
51 HD21 ASN 9 HD21 ASN 9 6.872 4.606 15.409
52 HD22 ASN 9 HD22 ASN 9 8.548 4.657 15.680
53 H TYR 10 HN TYR 10 4.555 1.062 13.101
54 HA TYR 10 HA TYR 10 5.488 -1.556 13.333
55 HB2 TYR 10 HB2 TYR 10 4.162 0.058 11.301
56 HB3 TYR 10 HB1 TYR 10 5.253 -1.137 10.597
57 HD1 TYR 10 HD1 TYR 10 2.456 -0.723 13.031
58 HD2 TYR 10 HD2 TYR 10 4.689 -3.437 10.563
59 HE1 TYR 10 HE1 TYR 10 0.808 -2.514 13.509
60 HE2 TYR 10 HE2 TYR 10 3.042 -5.228 11.041
61 HH TYR 10 HH TYR 10 0.206 -4.608 13.116
62 H TYR 11 HN TYR 11 7.191 -2.691 12.371
63 HA TYR 11 HA TYR 11 9.711 -1.579 12.414
64 HB2 TYR 11 HB2 TYR 11 8.541 -4.012 11.148
65 HB3 TYR 11 HB1 TYR 11 10.171 -3.539 10.669
66 HD1 TYR 11 HD2 TYR 11 11.927 -3.178 12.471
67 HD2 TYR 11 HD1 TYR 11 8.126 -5.021 13.257
68 HE1 TYR 11 HE2 TYR 11 12.822 -4.126 14.581
69 HE2 TYR 11 HE1 TYR 11 9.023 -5.969 15.367
70 HH TYR 11 HH TYR 11 11.354 -6.587 16.258
71 H GLY 12 HN GLY 12 10.491 0.066 11.272
72 HA2 GLY 12 HA2 GLY 12 10.833 0.040 8.495
73 HA3 GLY 12 HA1 GLY 12 9.403 1.009 8.838
74 H ALA 13 HN ALA 13 12.773 0.622 9.946
75 HA ALA 13 HA ALA 13 13.310 3.425 9.585
76 HB1 ALA 13 HB1 ALA 13 13.102 2.303 12.388
77 HB2 ALA 13 HB2 ALA 13 12.148 3.616 11.697
78 HB3 ALA 13 HB3 ALA 13 13.874 3.838 11.988
79 H ASP 14 HN ASP 14 14.546 1.349 8.399
80 HA ASP 14 HA ASP 14 16.879 0.510 9.894
81 HB2 ASP 14 HB2 ASP 14 17.539 -0.569 7.767
82 HB3 ASP 14 HB1 ASP 14 15.900 -1.003 8.248
83 H ASN 15 HN ASN 15 16.692 3.300 9.814
84 HA ASN 15 HA ASN 15 18.639 4.172 7.797
85 HB2 ASN 15 HB2 ASN 15 18.095 6.437 8.544
86 HB3 ASN 15 HB1 ASN 15 16.622 5.551 8.153
87 HD21 ASN 15 HD21 ASN 15 15.021 5.748 9.717
88 HD22 ASN 15 HD22 ASN 15 15.300 6.044 11.365
89 H GLN 16 HN GLN 16 18.434 3.262 11.097
90 HA GLN 16 HA GLN 16 20.602 4.779 12.138
91 HB2 GLN 16 HB2 GLN 16 20.530 3.258 14.015
92 HB3 GLN 16 HB1 GLN 16 18.872 3.604 13.519
93 HG2 GLN 16 HG2 GLN 16 19.461 1.440 11.949
94 HG3 GLN 16 HG1 GLN 16 20.377 1.069 13.409
95 HE21 GLN 16 HE21 GLN 16 17.123 2.499 12.718
96 HE22 GLN 16 HE22 GLN 16 16.307 1.524 13.844
97 H SER 17 HN SER 17 20.715 2.764 9.638
98 HA SER 17 HA SER 17 22.726 0.890 10.144
99 HB2 SER 17 HB2 SER 17 21.342 1.089 8.043
100 HB3 SER 17 HB1 SER 17 22.378 2.431 7.566
101 HG SER 17 HG SER 17 22.868 -0.277 7.610
102 H GLU 18 HN GLU 18 24.574 1.396 11.162
103 HA GLU 18 HA GLU 18 26.440 3.186 9.861
104 HB2 GLU 18 HB2 GLU 18 24.856 4.102 12.095
105 HB3 GLU 18 HB1 GLU 18 26.565 4.061 12.530
106 HG2 GLU 18 HG2 GLU 18 27.149 5.416 10.611
107 HG3 GLU 18 HG1 GLU 18 25.498 5.334 9.996
108 H CYS 19 HN CYS 19 28.107 1.813 9.753
109 HA CYS 19 HA CYS 19 29.528 1.035 12.083
110 HB2 CYS 19 HB2 CYS 19 29.257 -1.423 11.863
111 HB3 CYS 19 HB1 CYS 19 27.756 -0.622 12.328
112 HG CYS 19 HG CYS 19 28.259 -1.334 9.328
113 H GLU 20 HN GLU 20 31.482 -0.170 11.571
114 HA GLU 20 HA GLU 20 33.275 -0.751 10.246
115 HB2 GLU 20 HB2 GLU 20 31.156 -1.603 8.768
116 HB3 GLU 20 HB1 GLU 20 31.868 -0.419 7.671
117 HG2 GLU 20 HG2 GLU 20 34.105 -1.534 8.079
118 HG3 GLU 20 HG1 GLU 20 33.235 -2.811 8.927
119 H TYR 21 HN TYR 21 31.795 2.116 10.402
120 HA TYR 21 HA TYR 21 33.409 3.475 8.365
121 HB2 TYR 21 HB2 TYR 21 31.269 4.391 8.354
122 HB3 TYR 21 HB1 TYR 21 31.099 4.270 10.106
123 HD1 TYR 21 HD1 TYR 21 33.104 6.002 7.461
124 HD2 TYR 21 HD2 TYR 21 31.555 6.128 11.465
125 HE1 TYR 21 HE1 TYR 21 33.920 8.332 7.703
126 HE2 TYR 21 HE2 TYR 21 32.371 8.457 11.708
127 HH TYR 21 HH TYR 21 33.209 10.234 10.612
128 H THR 22 HN THR 22 33.446 2.707 11.698
129 HA THR 22 HA THR 22 35.341 4.866 12.324
130 HB THR 22 HB THR 22 34.258 2.801 14.240
131 HG1 THR 22 HG1 THR 22 32.423 3.722 13.736
132 HG21 THR 22 HG21 THR 22 36.226 4.203 14.894
133 HG22 THR 22 HG22 THR 22 34.808 4.483 15.903
134 HG23 THR 22 HG23 THR 22 35.237 5.640 14.642
135 H ASP 23 HN ASP 23 35.167 1.475 11.674
136 HA ASP 23 HA ASP 23 37.781 0.902 12.817
137 HB2 ASP 23 HB2 ASP 23 37.014 -1.199 12.835
138 HB3 ASP 23 HB1 ASP 23 35.504 -0.622 12.132
139 H TRP 24 HN TRP 24 36.639 2.279 9.994
140 HA TRP 24 HA TRP 24 38.263 1.142 8.003
141 HB2 TRP 24 HB2 TRP 24 37.755 3.051 6.684
142 HB3 TRP 24 HB1 TRP 24 36.335 2.774 7.691
143 HD1 TRP 24 HD1 TRP 24 37.140 4.094 10.360
144 HE1 TRP 24 HE1 TRP 24 37.494 6.639 10.538
145 HE3 TRP 24 HE3 TRP 24 38.031 5.202 5.456
146 HZ2 TRP 24 HZ2 TRP 24 38.081 8.854 8.826
147 HZ3 TRP 24 HZ3 TRP 24 38.485 7.537 4.758
148 HH2 TRP 24 HH2 TRP 24 38.511 9.363 6.436
149 H LYS 25 HN LYS 25 40.363 0.968 8.000
150 HA LYS 25 HA LYS 25 42.532 1.287 8.889
151 HB2 LYS 25 HB2 LYS 25 43.653 2.811 7.398
152 HB3 LYS 25 HB1 LYS 25 42.398 1.957 6.506
153 HG2 LYS 25 HG2 LYS 25 41.138 4.250 7.553
154 HG3 LYS 25 HG1 LYS 25 42.698 4.802 6.949
155 HD2 LYS 25 HD2 LYS 25 42.222 3.562 4.808
156 HD3 LYS 25 HD1 LYS 25 40.594 3.258 5.417
157 HE2 LYS 25 HE2 LYS 25 40.624 5.885 5.819
158 HE3 LYS 25 HE1 LYS 25 41.841 5.834 4.544
159 HZ1 LYS 25 HZ1 LYS 25 39.232 4.467 4.275
160 HZ2 LYS 25 HZ2 LYS 25 40.340 4.873 3.053
161 HZ3 LYS 25 HZ3 LYS 25 39.442 6.089 3.829
162 H SER 26 HN SER 26 41.055 2.171 10.947
163 HA SER 26 HA SER 26 41.811 4.915 11.583
164 HB2 SER 26 HB2 SER 26 39.820 3.032 12.500
165 HB3 SER 26 HB1 SER 26 40.721 3.691 13.862
166 HG SER 26 HG SER 26 38.869 4.955 13.126
167 H SER 27 HN SER 27 43.002 1.736 12.030
168 HA SER 27 HA SER 27 45.474 2.351 12.994
169 HB2 SER 27 HB2 SER 27 43.427 2.483 15.140
170 HB3 SER 27 HB1 SER 27 44.923 1.639 15.528
171 HG SER 27 HG SER 27 46.054 3.499 14.848
172 H GLY 28 HN GLY 28 42.767 0.211 12.950
173 HA2 GLY 28 HA2 GLY 28 43.589 -2.042 12.003
174 HA3 GLY 28 HA1 GLY 28 44.487 -2.117 13.516
175 H ALA 29 HN ALA 29 41.774 -0.479 14.279
176 HA ALA 29 HA ALA 29 39.712 -1.016 15.175
177 HB1 ALA 29 HB1 ALA 29 38.552 -2.809 14.351
178 HB2 ALA 29 HB2 ALA 29 39.929 -3.903 14.495
179 HB3 ALA 29 HB3 ALA 29 39.841 -2.768 13.148
180 H LEU 30 HN LEU 30 42.224 -1.154 16.585
181 HA LEU 30 HA LEU 30 41.498 -3.109 18.685
182 HB2 LEU 30 HB2 LEU 30 44.211 -2.404 17.575
183 HB3 LEU 30 HB1 LEU 30 44.018 -3.116 19.178
184 HG LEU 30 HG LEU 30 42.569 -4.424 16.925
185 HD11 LEU 30 HD11 LEU 30 45.565 -4.597 17.359
186 HD12 LEU 30 HD12 LEU 30 44.739 -4.055 15.898
187 HD13 LEU 30 HD13 LEU 30 44.637 -5.744 16.393
188 HD21 LEU 30 HD21 LEU 30 42.431 -5.197 19.292
189 HD22 LEU 30 HD22 LEU 30 44.172 -5.478 19.277
190 HD23 LEU 30 HD23 LEU 30 43.116 -6.424 18.228
191 H ILE 31 HN ILE 31 42.606 0.081 17.825
192 HA ILE 31 HA ILE 31 43.056 0.887 20.566
193 HB ILE 31 HB ILE 31 43.266 2.215 17.896
194 HG12 ILE 31 HG12 ILE 31 45.074 0.931 19.348
195 HG13 ILE 31 HG11 ILE 31 45.507 2.390 18.458
196 HG21 ILE 31 HG21 ILE 31 43.802 4.347 19.254
197 HG22 ILE 31 HG22 ILE 31 42.875 3.597 20.552
198 HG23 ILE 31 HG23 ILE 31 42.104 3.949 19.006
199 HD11 ILE 31 HD11 ILE 31 44.524 2.545 21.307
200 HD12 ILE 31 HD12 ILE 31 45.460 3.733 20.400
201 HD13 ILE 31 HD13 ILE 31 46.221 2.238 20.943
202 HA PRO 32 HA PRO 32 38.862 3.204 19.452
203 HB2 PRO 32 HB2 PRO 32 37.477 0.885 18.220
204 HB3 PRO 32 HB1 PRO 32 37.428 2.599 17.768
205 HG2 PRO 32 HG2 PRO 32 38.741 0.797 16.305
206 HG3 PRO 32 HG1 PRO 32 39.330 2.457 16.498
207 HD2 PRO 32 HD2 PRO 32 40.317 -0.057 17.792
208 HD3 PRO 32 HD1 PRO 32 41.230 1.366 17.245
209 H ALA 33 HN ALA 33 39.407 -0.114 20.359
210 HA ALA 33 HA ALA 33 37.098 -0.567 21.924
211 HB1 ALA 33 HB1 ALA 33 38.260 -2.523 21.535
212 HB2 ALA 33 HB2 ALA 33 38.826 -2.149 23.163
213 HB3 ALA 33 HB3 ALA 33 39.834 -1.761 21.768
214 H ILE 34 HN ILE 34 40.217 0.919 22.647
215 HA ILE 34 HA ILE 34 39.517 1.289 25.453
216 HB ILE 34 HB ILE 34 41.945 1.956 23.794
217 HG12 ILE 34 HG12 ILE 34 43.017 0.406 25.396
218 HG13 ILE 34 HG11 ILE 34 41.472 0.198 26.225
219 HG21 ILE 34 HG21 ILE 34 41.169 2.866 26.561
220 HG22 ILE 34 HG22 ILE 34 41.875 3.807 25.247
221 HG23 ILE 34 HG23 ILE 34 42.864 2.643 26.130
222 HD11 ILE 34 HD11 ILE 34 42.201 -1.548 24.403
223 HD12 ILE 34 HD12 ILE 34 41.648 -0.315 23.270
224 HD13 ILE 34 HD13 ILE 34 40.529 -0.993 24.452
225 H TYR 35 HN TYR 35 39.536 3.075 22.462
226 HA TYR 35 HA TYR 35 39.463 5.701 23.508
227 HB2 TYR 35 HB2 TYR 35 39.737 4.822 21.045
228 HB3 TYR 35 HB1 TYR 35 37.980 4.968 21.012
229 HD1 TYR 35 HD2 TYR 35 36.884 7.152 21.298
230 HD2 TYR 35 HD1 TYR 35 41.164 6.782 21.237
231 HE1 TYR 35 HE2 TYR 35 37.093 9.602 20.972
232 HE2 TYR 35 HE1 TYR 35 41.371 9.231 20.911
233 HH TYR 35 HH TYR 35 40.114 11.242 21.250
234 H MET 36 HN MET 36 37.019 3.232 23.102
235 HA MET 36 HA MET 36 34.793 5.011 23.560
236 HB2 MET 36 HB2 MET 36 35.022 1.995 23.522
237 HB3 MET 36 HB1 MET 36 33.503 2.863 23.745
238 HG2 MET 36 HG2 MET 36 33.430 3.577 21.564
239 HG3 MET 36 HG1 MET 36 35.185 3.686 21.431
240 HE1 MET 36 HE1 MET 36 34.939 1.209 18.670
241 HE2 MET 36 HE2 MET 36 35.523 2.746 19.305
242 HE3 MET 36 HE3 MET 36 33.811 2.545 18.938
243 H LEU 37 HN LEU 37 36.744 2.779 25.472
244 HA LEU 37 HA LEU 37 35.241 2.610 27.795
245 HB2 LEU 37 HB2 LEU 37 37.982 2.146 27.024
246 HB3 LEU 37 HB1 LEU 37 37.919 2.885 28.625
247 HG LEU 37 HG LEU 37 36.253 0.491 27.800
248 HD11 LEU 37 HD11 LEU 37 38.453 -0.349 27.818
249 HD12 LEU 37 HD12 LEU 37 37.898 -0.648 29.465
250 HD13 LEU 37 HD13 LEU 37 38.950 0.726 29.125
251 HD21 LEU 37 HD21 LEU 37 35.214 0.784 29.779
252 HD22 LEU 37 HD22 LEU 37 36.081 2.309 29.967
253 HD23 LEU 37 HD23 LEU 37 36.762 0.820 30.623
254 H VAL 38 HN VAL 38 37.101 5.286 26.544
255 HA VAL 38 HA VAL 38 36.657 6.810 29.029
256 HB VAL 38 HB VAL 38 38.277 7.799 26.703
257 HG11 VAL 38 HG11 VAL 38 39.046 8.104 29.562
258 HG12 VAL 38 HG12 VAL 38 37.597 8.962 29.038
259 HG13 VAL 38 HG13 VAL 38 39.140 9.270 28.243
260 HG21 VAL 38 HG21 VAL 38 39.124 5.798 28.818
261 HG22 VAL 38 HG22 VAL 38 40.259 6.708 27.822
262 HG23 VAL 38 HG23 VAL 38 39.145 5.566 27.070
263 H PHE 39 HN PHE 39 35.040 6.197 26.284
264 HA PHE 39 HA PHE 39 34.135 8.973 25.865
265 HB2 PHE 39 HB2 PHE 39 34.889 7.322 23.958
266 HB3 PHE 39 HB1 PHE 39 33.255 6.685 24.147
267 HD1 PHE 39 HD1 PHE 39 35.125 9.898 23.695
268 HD2 PHE 39 HD2 PHE 39 31.441 7.765 23.119
269 HE1 PHE 39 HE1 PHE 39 34.229 11.802 22.383
270 HE2 PHE 39 HE2 PHE 39 30.545 9.668 21.806
271 HZ PHE 39 HZ PHE 39 31.938 11.687 21.438
272 H LEU 40 HN LEU 40 33.367 6.396 27.729
273 HA LEU 40 HA LEU 40 30.561 7.245 27.911
274 HB2 LEU 40 HB2 LEU 40 29.806 4.900 28.045
275 HB3 LEU 40 HB1 LEU 40 30.529 5.260 26.477
276 HG LEU 40 HG LEU 40 32.710 4.459 27.972
277 HD11 LEU 40 HD11 LEU 40 32.023 2.356 29.061
278 HD12 LEU 40 HD12 LEU 40 30.337 2.700 28.672
279 HD13 LEU 40 HD13 LEU 40 31.210 3.734 29.802
280 HD21 LEU 40 HD21 LEU 40 32.555 2.386 26.624
281 HD22 LEU 40 HD22 LEU 40 32.181 3.810 25.652
282 HD23 LEU 40 HD23 LEU 40 30.879 2.772 26.234
283 H LEU 41 HN LEU 41 33.458 6.034 29.322
284 HA LEU 41 HA LEU 41 32.790 4.963 31.729
285 HB2 LEU 41 HB2 LEU 41 35.036 6.437 30.685
286 HB3 LEU 41 HB1 LEU 41 34.750 6.886 32.366
287 HG LEU 41 HG LEU 41 34.914 4.024 31.384
288 HD11 LEU 41 HD11 LEU 41 37.127 4.602 31.173
289 HD12 LEU 41 HD12 LEU 41 37.106 4.328 32.916
290 HD13 LEU 41 HD13 LEU 41 36.984 5.968 32.279
291 HD21 LEU 41 HD21 LEU 41 35.493 4.485 34.175
292 HD22 LEU 41 HD22 LEU 41 34.230 3.482 33.463
293 HD23 LEU 41 HD23 LEU 41 33.929 5.192 33.769
294 H GLY 42 HN GLY 42 32.386 8.302 30.738
295 HA2 GLY 42 HA2 GLY 42 30.300 9.017 32.304
296 HA3 GLY 42 HA1 GLY 42 31.672 9.227 33.389
297 H THR 43 HN THR 43 31.307 9.838 29.897
298 HA THR 43 HA THR 43 32.414 12.529 30.319
299 HB THR 43 HB THR 43 33.507 11.101 28.631
300 HG1 THR 43 HG1 THR 43 32.325 12.856 26.934
301 HG21 THR 43 HG21 THR 43 32.371 10.247 26.747
302 HG22 THR 43 HG22 THR 43 30.978 11.298 27.002
303 HG23 THR 43 HG23 THR 43 31.265 9.935 28.084
304 H THR 44 HN THR 44 29.696 10.881 28.724
305 HA THR 44 HA THR 44 28.346 13.472 28.386
306 HB THR 44 HB THR 44 26.682 11.959 27.100
307 HG1 THR 44 HG1 THR 44 28.580 10.210 27.934
308 HG21 THR 44 HG21 THR 44 28.656 11.749 25.250
309 HG22 THR 44 HG22 THR 44 29.389 12.905 26.362
310 HG23 THR 44 HG23 THR 44 27.830 13.262 25.621
311 H GLY 45 HN GLY 45 26.525 10.539 28.616
312 HA2 GLY 45 HA2 GLY 45 25.242 11.560 31.070
313 HA3 GLY 45 HA1 GLY 45 24.491 10.480 29.899
314 H ASN 46 HN ASN 46 25.335 8.272 29.752
315 HA ASN 46 HA ASN 46 25.715 6.254 30.796
316 HB2 ASN 46 HB2 ASN 46 27.974 7.503 32.304
317 HB3 ASN 46 HB1 ASN 46 27.911 5.962 31.451
318 HD21 ASN 46 HD21 ASN 46 26.940 6.852 28.919
319 HD22 ASN 46 HD22 ASN 46 28.117 7.851 28.212
320 H GLY 47 HN GLY 47 24.027 5.882 32.162
321 HA2 GLY 47 HA2 GLY 47 23.305 5.286 34.324
322 HA3 GLY 47 HA1 GLY 47 24.518 6.366 35.005
323 H LEU 48 HN LEU 48 23.564 8.440 32.960
324 HA LEU 48 HA LEU 48 21.363 9.458 34.626
325 HB2 LEU 48 HB2 LEU 48 23.405 10.872 34.313
326 HB3 LEU 48 HB1 LEU 48 23.052 10.929 32.589
327 HG LEU 48 HG LEU 48 20.827 11.934 33.103
328 HD11 LEU 48 HD11 LEU 48 20.181 11.386 35.248
329 HD12 LEU 48 HD12 LEU 48 20.895 12.966 35.571
330 HD13 LEU 48 HD13 LEU 48 21.820 11.500 35.888
331 HD21 LEU 48 HD21 LEU 48 21.954 13.848 32.747
332 HD22 LEU 48 HD22 LEU 48 23.429 13.129 33.394
333 HD23 LEU 48 HD23 LEU 48 22.295 13.938 34.475
334 H VAL 49 HN VAL 49 22.286 8.910 31.245
335 HA VAL 49 HA VAL 49 20.026 9.898 29.967
336 HB VAL 49 HB VAL 49 21.746 7.511 29.264
337 HG11 VAL 49 HG11 VAL 49 19.758 7.202 28.017
338 HG12 VAL 49 HG12 VAL 49 20.822 8.078 26.918
339 HG13 VAL 49 HG13 VAL 49 19.541 8.935 27.774
340 HG21 VAL 49 HG21 VAL 49 22.234 10.297 29.275
341 HG22 VAL 49 HG22 VAL 49 21.981 9.854 27.587
342 HG23 VAL 49 HG23 VAL 49 23.230 9.045 28.533
343 H LEU 50 HN LEU 50 20.394 7.077 31.936
344 HA LEU 50 HA LEU 50 18.003 5.760 30.974
345 HB2 LEU 50 HB2 LEU 50 19.651 5.233 33.459
346 HB3 LEU 50 HB1 LEU 50 18.419 4.168 32.783
347 HG LEU 50 HG LEU 50 20.251 4.858 30.694
348 HD11 LEU 50 HD11 LEU 50 21.527 3.808 33.238
349 HD12 LEU 50 HD12 LEU 50 21.888 5.341 32.445
350 HD13 LEU 50 HD13 LEU 50 22.305 3.820 31.655
351 HD21 LEU 50 HD21 LEU 50 18.823 2.815 30.901
352 HD22 LEU 50 HD22 LEU 50 19.863 2.258 32.212
353 HD23 LEU 50 HD23 LEU 50 20.515 2.430 30.583
354 H TRP 51 HN TRP 51 18.913 7.888 33.620
355 HA TRP 51 HA TRP 51 16.707 7.606 35.296
356 HB2 TRP 51 HB2 TRP 51 17.833 9.192 36.405
357 HB3 TRP 51 HB1 TRP 51 18.881 9.423 35.005
358 HD1 TRP 51 HD1 TRP 51 17.905 11.152 33.080
359 HE1 TRP 51 HE1 TRP 51 16.560 13.328 33.398
360 HE3 TRP 51 HE3 TRP 51 16.182 10.436 37.833
361 HZ2 TRP 51 HZ2 TRP 51 14.964 14.598 35.405
362 HZ3 TRP 51 HZ3 TRP 51 14.753 12.143 38.923
363 HH2 TRP 51 HH2 TRP 51 14.143 14.220 37.717
364 H THR 52 HN THR 52 17.041 9.345 32.264
365 HA THR 52 HA THR 52 14.571 10.779 32.466
366 HB THR 52 HB THR 52 16.452 10.158 30.195
367 HG1 THR 52 HG1 THR 52 15.846 12.723 30.639
368 HG21 THR 52 HG21 THR 52 14.469 10.226 28.982
369 HG22 THR 52 HG22 THR 52 14.900 11.935 29.025
370 HG23 THR 52 HG23 THR 52 13.682 11.305 30.134
371 H VAL 53 HN VAL 53 15.564 7.703 31.037
372 HA VAL 53 HA VAL 53 13.194 7.120 29.638
373 HB VAL 53 HB VAL 53 15.166 5.232 30.947
374 HG11 VAL 53 HG11 VAL 53 12.911 4.834 28.975
375 HG12 VAL 53 HG12 VAL 53 13.211 3.964 30.479
376 HG13 VAL 53 HG13 VAL 53 14.259 3.701 29.085
377 HG21 VAL 53 HG21 VAL 53 15.802 7.007 29.069
378 HG22 VAL 53 HG22 VAL 53 15.034 5.823 28.013
379 HG23 VAL 53 HG23 VAL 53 16.421 5.357 28.999
380 H PHE 54 HN PHE 54 14.188 6.347 32.963
381 HA PHE 54 HA PHE 54 11.844 4.899 33.643
382 HB2 PHE 54 HB2 PHE 54 14.269 5.679 34.922
383 HB3 PHE 54 HB1 PHE 54 12.928 6.168 35.957
384 HD1 PHE 54 HD2 PHE 54 11.053 4.413 36.366
385 HD2 PHE 54 HD1 PHE 54 14.964 3.435 34.884
386 HE1 PHE 54 HE2 PHE 54 10.728 2.056 37.066
387 HE2 PHE 54 HE1 PHE 54 14.640 1.078 35.583
388 HZ PHE 54 HZ PHE 54 12.522 0.388 36.674
389 H ARG 55 HN ARG 55 12.643 8.300 33.595
390 HA ARG 55 HA ARG 55 10.492 9.198 35.239
391 HB2 ARG 55 HB2 ARG 55 12.199 10.579 33.163
392 HB3 ARG 55 HB1 ARG 55 10.961 11.415 34.103
393 HG2 ARG 55 HG2 ARG 55 12.742 9.764 35.751
394 HG3 ARG 55 HG1 ARG 55 13.586 11.054 34.894
395 HD2 ARG 55 HD2 ARG 55 12.657 11.687 37.177
396 HD3 ARG 55 HD1 ARG 55 12.180 12.736 35.846
397 HE ARG 55 HE ARG 55 10.157 10.933 35.928
398 HH11 ARG 55 HH21 ARG 55 11.760 12.856 38.316
399 HH12 ARG 55 HH22 ARG 55 10.363 13.012 39.328
400 HH21 ARG 55 HH11 ARG 55 8.321 11.132 37.249
401 HH22 ARG 55 HH12 ARG 55 8.416 12.036 38.724
402 H LYS 56 HN LYS 56 10.940 9.469 31.703
403 HA LYS 56 HA LYS 56 8.434 10.343 30.996
404 HB2 LYS 56 HB2 LYS 56 10.015 8.271 29.460
405 HB3 LYS 56 HB1 LYS 56 8.833 9.405 28.806
406 HG2 LYS 56 HG2 LYS 56 10.714 10.951 30.256
407 HG3 LYS 56 HG1 LYS 56 11.643 9.817 29.275
408 HD2 LYS 56 HD2 LYS 56 10.414 10.512 27.268
409 HD3 LYS 56 HD1 LYS 56 9.431 11.612 28.235
410 HE2 LYS 56 HE2 LYS 56 12.446 11.802 28.165
411 HE3 LYS 56 HE1 LYS 56 11.428 12.651 27.002
412 HZ1 LYS 56 HZ1 LYS 56 11.004 12.882 29.920
413 HZ2 LYS 56 HZ2 LYS 56 10.423 13.896 28.687
414 HZ3 LYS 56 HZ3 LYS 56 12.074 13.902 29.088
415 H LYS 57 HN LYS 57 9.460 6.935 31.258
416 HA LYS 57 HA LYS 57 6.795 5.936 30.865
417 HB2 LYS 57 HB2 LYS 57 9.418 4.694 31.667
418 HB3 LYS 57 HB1 LYS 57 7.917 3.767 31.706
419 HG2 LYS 57 HG2 LYS 57 7.734 3.712 29.428
420 HG3 LYS 57 HG1 LYS 57 8.402 5.333 29.233
421 HD2 LYS 57 HD2 LYS 57 10.660 4.486 29.661
422 HD3 LYS 57 HD1 LYS 57 10.019 2.867 29.945
423 HE2 LYS 57 HE2 LYS 57 9.563 4.345 27.347
424 HE3 LYS 57 HE1 LYS 57 10.969 3.311 27.607
425 HZ1 LYS 57 HZ1 LYS 57 8.586 2.455 26.707
426 HZ2 LYS 57 HZ2 LYS 57 8.452 2.123 28.368
427 HZ3 LYS 57 HZ3 LYS 57 9.736 1.468 27.469
428 H GLY 58 HN GLY 58 6.302 7.675 32.743
429 HA2 GLY 58 HA2 GLY 58 6.533 6.456 35.392
430 HA3 GLY 58 HA1 GLY 58 5.910 8.064 35.035
431 H HIS 59 HN HIS 59 3.917 8.030 35.933
432 HA HIS 59 HA HIS 59 1.997 6.078 34.843
433 HB2 HIS 59 HB2 HIS 59 2.787 6.431 37.653
434 HB3 HIS 59 HB1 HIS 59 1.045 6.476 37.380
435 HD2 HIS 59 HD2 HIS 59 3.923 4.029 36.058
436 HE1 HIS 59 HE1 HIS 59 0.493 1.774 37.047
437 HE2 HIS 59 HE2 HIS 59 2.875 1.640 36.177
438 H HIS 60 HN HIS 60 1.574 8.496 37.381
439 HA HIS 60 HA HIS 60 0.083 10.198 35.515
440 HB2 HIS 60 HB2 HIS 60 -0.958 8.806 37.929
441 HB3 HIS 60 HB1 HIS 60 -1.510 10.455 37.638
442 HD2 HIS 60 HD2 HIS 60 -1.917 6.889 36.080
443 HE1 HIS 60 HE1 HIS 60 -4.256 9.566 33.802
444 HE2 HIS 60 HE2 HIS 60 -3.703 7.118 34.189
445 H HIS 61 HN HIS 61 2.659 10.120 37.297
446 HA HIS 61 HA HIS 61 3.868 11.583 38.604
447 HB2 HIS 61 HB2 HIS 61 3.209 12.817 36.330
448 HB3 HIS 61 HB1 HIS 61 2.361 13.879 37.454
449 HD2 HIS 61 HD2 HIS 61 5.990 12.268 37.866
450 HE1 HIS 61 HE1 HIS 61 6.243 16.446 38.414
451 HE2 HIS 61 HE2 HIS 61 7.558 14.274 38.446
452 H HIS 62 HN HIS 62 3.259 11.295 40.702
453 HA HIS 62 HA HIS 62 1.595 13.340 41.878
454 HB2 HIS 62 HB2 HIS 62 -0.019 11.543 41.160
455 HB3 HIS 62 HB1 HIS 62 0.808 10.449 42.269
456 HD2 HIS 62 HD2 HIS 62 0.930 13.592 44.183
457 HE1 HIS 62 HE1 HIS 62 -2.921 12.096 45.049
458 HE2 HIS 62 HE2 HIS 62 -1.149 13.772 45.753
459 H HIS 63 HN HIS 63 3.619 13.834 42.871
460 HA HIS 63 HA HIS 63 5.276 12.147 44.297
461 HB2 HIS 63 HB2 HIS 63 4.933 14.940 44.033
462 HB3 HIS 63 HB1 HIS 63 4.955 14.601 45.765
463 HD2 HIS 63 HD2 HIS 63 7.263 13.545 42.676
464 HE1 HIS 63 HE1 HIS 63 9.644 13.956 46.138
465 HE2 HIS 63 HE2 HIS 63 9.683 13.444 43.650
466 H HIS 64 HN HIS 64 5.504 12.347 46.815
467 HA HIS 64 HA HIS 64 3.436 10.866 47.987
468 HB2 HIS 64 HB2 HIS 64 5.834 12.321 48.988
469 HB3 HIS 64 HB1 HIS 64 4.605 11.871 50.169
470 HD2 HIS 64 HD2 HIS 64 5.788 9.585 51.249
471 HE1 HIS 64 HE1 HIS 64 6.443 7.545 47.611
472 HE2 HIS 64 HE2 HIS 64 6.560 7.350 50.140
Start of MODEL 16
1 H1 MET 1 HT1 MET 1 15.732 23.572 -24.251
2 H2 MET 1 HT2 MET 1 17.043 24.410 -24.936
3 H3 MET 1 HT3 MET 1 15.450 24.895 -25.274
4 HA MET 1 HA MET 1 16.450 26.396 -23.685
5 HB2 MET 1 HB2 MET 1 14.772 25.597 -21.702
6 HB3 MET 1 HB1 MET 1 14.224 26.420 -23.163
7 HG2 MET 1 HG2 MET 1 13.656 24.342 -24.223
8 HG3 MET 1 HG1 MET 1 14.458 23.409 -22.960
9 HE1 MET 1 HE1 MET 1 10.484 22.904 -22.838
10 HE2 MET 1 HE2 MET 1 12.001 22.249 -23.450
11 HE3 MET 1 HE3 MET 1 11.261 23.633 -24.251
12 H GLU 2 HN GLU 2 16.370 23.014 -22.608
13 HA GLU 2 HA GLU 2 18.718 23.567 -20.919
14 HB2 GLU 2 HB2 GLU 2 16.589 21.728 -19.891
15 HB3 GLU 2 HB1 GLU 2 17.808 22.638 -18.999
16 HG2 GLU 2 HG2 GLU 2 16.618 24.752 -19.692
17 HG3 GLU 2 HG1 GLU 2 15.331 23.741 -20.347
18 H GLU 3 HN GLU 3 20.181 22.425 -22.079
19 HA GLU 3 HA GLU 3 19.688 19.531 -22.356
20 HB2 GLU 3 HB2 GLU 3 20.624 21.443 -24.491
21 HB3 GLU 3 HB1 GLU 3 20.999 19.721 -24.562
22 HG2 GLU 3 HG2 GLU 3 18.838 19.129 -25.007
23 HG3 GLU 3 HG1 GLU 3 18.173 20.398 -23.981
24 H GLY 4 HN GLY 4 21.058 20.504 -20.244
25 HA2 GLY 4 HA2 GLY 4 23.235 19.208 -19.741
26 HA3 GLY 4 HA1 GLY 4 23.920 20.312 -20.930
27 H GLY 5 HN GLY 5 21.438 21.075 -18.531
28 HA2 GLY 5 HA2 GLY 5 23.048 23.303 -17.569
29 HA3 GLY 5 HA1 GLY 5 21.377 22.955 -17.138
30 H ASP 6 HN ASP 6 24.591 21.431 -16.796
31 HA ASP 6 HA ASP 6 25.472 20.169 -15.073
32 HB2 ASP 6 HB2 ASP 6 25.407 22.670 -14.302
33 HB3 ASP 6 HB1 ASP 6 24.163 22.102 -13.191
34 H PHE 7 HN PHE 7 24.368 18.237 -15.112
35 HA PHE 7 HA PHE 7 21.738 17.927 -14.007
36 HB2 PHE 7 HB2 PHE 7 22.701 16.473 -15.810
37 HB3 PHE 7 HB1 PHE 7 23.780 15.776 -14.603
38 HD1 PHE 7 HD1 PHE 7 20.158 16.422 -15.294
39 HD2 PHE 7 HD2 PHE 7 23.056 13.990 -13.259
40 HE1 PHE 7 HE1 PHE 7 18.357 14.877 -14.572
41 HE2 PHE 7 HE2 PHE 7 21.254 12.445 -12.537
42 HZ PHE 7 HZ PHE 7 18.905 12.890 -13.194
43 H ASP 8 HN ASP 8 23.101 19.196 -12.061
44 HA ASP 8 HA ASP 8 23.783 19.101 -9.865
45 HB2 ASP 8 HB2 ASP 8 21.408 17.971 -9.990
46 HB3 ASP 8 HB1 ASP 8 22.310 16.511 -9.587
47 H ASN 9 HN ASN 9 25.641 18.016 -11.662
48 HA ASN 9 HA ASN 9 26.908 15.976 -9.946
49 HB2 ASN 9 HB2 ASN 9 25.881 14.968 -12.028
50 HB3 ASN 9 HB1 ASN 9 27.026 15.927 -12.964
51 HD21 ASN 9 HD21 ASN 9 28.378 14.210 -13.709
52 HD22 ASN 9 HD22 ASN 9 29.274 13.221 -12.661
53 H TYR 10 HN TYR 10 27.490 18.607 -9.643
54 HA TYR 10 HA TYR 10 29.411 19.796 -11.240
55 HB2 TYR 10 HB2 TYR 10 28.765 19.897 -8.331
56 HB3 TYR 10 HB1 TYR 10 30.292 20.605 -8.858
57 HD1 TYR 10 HD1 TYR 10 30.204 22.238 -10.873
58 HD2 TYR 10 HD2 TYR 10 26.759 21.097 -8.575
59 HE1 TYR 10 HE1 TYR 10 28.993 24.239 -11.697
60 HE2 TYR 10 HE2 TYR 10 25.547 23.099 -9.399
61 HH TYR 10 HH TYR 10 25.578 24.764 -10.928
62 H TYR 11 HN TYR 11 31.490 19.410 -11.710
63 HA TYR 11 HA TYR 11 32.737 16.974 -11.113
64 HB2 TYR 11 HB2 TYR 11 33.729 19.604 -12.178
65 HB3 TYR 11 HB1 TYR 11 34.859 18.294 -11.838
66 HD1 TYR 11 HD2 TYR 11 34.452 16.018 -12.911
67 HD2 TYR 11 HD1 TYR 11 32.387 19.580 -14.133
68 HE1 TYR 11 HE2 TYR 11 33.836 14.927 -15.052
69 HE2 TYR 11 HE1 TYR 11 31.771 18.490 -16.272
70 HH TYR 11 HH TYR 11 33.035 16.332 -17.665
71 H GLY 12 HN GLY 12 35.079 17.002 -10.132
72 HA2 GLY 12 HA2 GLY 12 36.489 17.390 -8.327
73 HA3 GLY 12 HA1 GLY 12 35.445 18.724 -7.841
74 H ALA 13 HN ALA 13 35.958 15.260 -7.658
75 HA ALA 13 HA ALA 13 33.675 14.693 -6.028
76 HB1 ALA 13 HB1 ALA 13 34.774 12.947 -7.359
77 HB2 ALA 13 HB2 ALA 13 34.775 12.522 -5.648
78 HB3 ALA 13 HB3 ALA 13 36.246 13.136 -6.405
79 H ASP 14 HN ASP 14 34.070 16.582 -4.559
80 HA ASP 14 HA ASP 14 36.126 16.060 -2.520
81 HB2 ASP 14 HB2 ASP 14 35.856 18.317 -1.834
82 HB3 ASP 14 HB1 ASP 14 35.844 18.354 -3.596
83 H ASN 15 HN ASN 15 34.062 14.233 -2.503
84 HA ASN 15 HA ASN 15 32.751 14.897 0.047
85 HB2 ASN 15 HB2 ASN 15 30.630 14.527 -0.692
86 HB3 ASN 15 HB1 ASN 15 31.317 15.026 -2.237
87 HD21 ASN 15 HD21 ASN 15 29.178 12.887 -1.341
88 HD22 ASN 15 HD22 ASN 15 29.640 11.514 -2.227
89 H GLN 16 HN GLN 16 34.854 12.982 -1.436
90 HA GLN 16 HA GLN 16 34.154 10.339 -1.106
91 HB2 GLN 16 HB2 GLN 16 36.694 10.157 -0.347
92 HB3 GLN 16 HB1 GLN 16 36.261 10.556 -2.011
93 HG2 GLN 16 HG2 GLN 16 38.010 12.064 -0.892
94 HG3 GLN 16 HG1 GLN 16 36.650 12.876 -1.666
95 HE21 GLN 16 HE21 GLN 16 35.350 14.211 -0.352
96 HE22 GLN 16 HE22 GLN 16 35.506 14.319 1.334
97 H SER 17 HN SER 17 34.411 12.735 1.304
98 HA SER 17 HA SER 17 35.162 11.181 3.542
99 HB2 SER 17 HB2 SER 17 34.536 13.838 3.096
100 HB3 SER 17 HB1 SER 17 33.215 13.284 4.119
101 HG SER 17 HG SER 17 35.992 13.292 4.608
102 H GLU 18 HN GLU 18 33.700 10.607 5.360
103 HA GLU 18 HA GLU 18 32.076 9.112 6.060
104 HB2 GLU 18 HB2 GLU 18 31.034 11.483 6.012
105 HB3 GLU 18 HB1 GLU 18 30.155 10.905 4.595
106 HG2 GLU 18 HG2 GLU 18 29.528 8.871 6.075
107 HG3 GLU 18 HG1 GLU 18 30.031 9.882 7.429
108 H CYS 19 HN CYS 19 33.103 7.693 4.247
109 HA CYS 19 HA CYS 19 31.970 7.211 1.786
110 HB2 CYS 19 HB2 CYS 19 33.255 5.411 3.813
111 HB3 CYS 19 HB1 CYS 19 32.565 4.726 2.341
112 HG CYS 19 HG CYS 19 35.201 5.637 2.202
113 H GLU 20 HN GLU 20 31.345 4.530 3.852
114 HA GLU 20 HA GLU 20 28.441 5.015 3.755
115 HB2 GLU 20 HB2 GLU 20 29.933 2.624 2.690
116 HB3 GLU 20 HB1 GLU 20 28.244 2.511 3.188
117 HG2 GLU 20 HG2 GLU 20 28.986 4.776 1.397
118 HG3 GLU 20 HG1 GLU 20 28.944 3.165 0.683
119 H TYR 21 HN TYR 21 30.636 5.003 5.841
120 HA TYR 21 HA TYR 21 31.091 4.097 7.921
121 HB2 TYR 21 HB2 TYR 21 29.028 4.042 9.324
122 HB3 TYR 21 HB1 TYR 21 29.197 5.515 8.368
123 HD1 TYR 21 HD2 TYR 21 27.365 2.329 8.714
124 HD2 TYR 21 HD1 TYR 21 27.736 5.983 6.487
125 HE1 TYR 21 HE2 TYR 21 25.176 1.894 7.636
126 HE2 TYR 21 HE1 TYR 21 25.546 5.548 5.409
127 HH TYR 21 HH TYR 21 23.466 2.936 6.463
128 H THR 22 HN THR 22 30.659 2.106 5.692
129 HA THR 22 HA THR 22 29.618 -0.187 7.210
130 HB THR 22 HB THR 22 30.560 -0.358 4.370
131 HG1 THR 22 HG1 THR 22 29.214 1.488 4.526
132 HG21 THR 22 HG21 THR 22 29.813 -2.367 5.652
133 HG22 THR 22 HG22 THR 22 28.800 -2.036 4.246
134 HG23 THR 22 HG23 THR 22 28.236 -1.605 5.862
135 H ASP 23 HN ASP 23 32.477 1.368 6.857
136 HA ASP 23 HA ASP 23 33.996 -1.098 7.393
137 HB2 ASP 23 HB2 ASP 23 34.178 0.081 4.963
138 HB3 ASP 23 HB1 ASP 23 35.414 0.982 5.839
139 H TRP 24 HN TRP 24 32.912 1.086 9.070
140 HA TRP 24 HA TRP 24 34.868 2.929 9.843
141 HB2 TRP 24 HB2 TRP 24 33.624 2.639 12.160
142 HB3 TRP 24 HB1 TRP 24 32.819 3.396 10.790
143 HD1 TRP 24 HD1 TRP 24 33.358 -0.373 10.838
144 HE1 TRP 24 HE1 TRP 24 31.069 -1.540 11.032
145 HE3 TRP 24 HE3 TRP 24 30.371 3.681 11.691
146 HZ2 TRP 24 HZ2 TRP 24 28.331 -0.846 11.487
147 HZ3 TRP 24 HZ3 TRP 24 27.929 3.399 12.001
148 HH2 TRP 24 HH2 TRP 24 26.905 1.143 11.900
149 H LYS 25 HN LYS 25 34.094 0.839 12.465
150 HA LYS 25 HA LYS 25 36.934 0.298 12.874
151 HB2 LYS 25 HB2 LYS 25 36.168 -0.565 15.085
152 HB3 LYS 25 HB1 LYS 25 35.701 1.110 14.789
153 HG2 LYS 25 HG2 LYS 25 33.513 0.596 14.938
154 HG3 LYS 25 HG1 LYS 25 33.689 -0.708 13.762
155 HD2 LYS 25 HD2 LYS 25 34.541 -2.194 15.547
156 HD3 LYS 25 HD1 LYS 25 34.330 -0.895 16.719
157 HE2 LYS 25 HE2 LYS 25 31.937 -0.874 16.363
158 HE3 LYS 25 HE1 LYS 25 32.081 -2.011 15.023
159 HZ1 LYS 25 HZ1 LYS 25 31.464 -2.846 17.391
160 HZ2 LYS 25 HZ2 LYS 25 33.139 -2.761 17.657
161 HZ3 LYS 25 HZ3 LYS 25 32.522 -3.750 16.420
162 H SER 26 HN SER 26 36.416 -1.095 10.747
163 HA SER 26 HA SER 26 35.603 -3.809 11.549
164 HB2 SER 26 HB2 SER 26 35.029 -4.200 9.360
165 HB3 SER 26 HB1 SER 26 34.806 -2.453 9.396
166 HG SER 26 HG SER 26 36.928 -3.983 8.348
167 H SER 27 HN SER 27 38.356 -1.922 11.118
168 HA SER 27 HA SER 27 40.218 -3.559 9.891
169 HB2 SER 27 HB2 SER 27 40.334 -1.437 11.961
170 HB3 SER 27 HB1 SER 27 41.745 -2.483 11.830
171 HG SER 27 HG SER 27 40.536 -1.373 9.537
172 H GLY 28 HN GLY 28 38.521 -4.086 12.811
173 HA2 GLY 28 HA2 GLY 28 38.819 -6.604 13.371
174 HA3 GLY 28 HA1 GLY 28 40.464 -6.095 13.740
175 H ALA 29 HN ALA 29 38.738 -3.468 14.487
176 HA ALA 29 HA ALA 29 38.147 -2.481 16.478
177 HB1 ALA 29 HB1 ALA 29 36.421 -3.543 17.684
178 HB2 ALA 29 HB2 ALA 29 37.014 -5.155 17.281
179 HB3 ALA 29 HB3 ALA 29 36.245 -4.163 16.042
180 H LEU 30 HN LEU 30 40.650 -2.783 16.718
181 HA LEU 30 HA LEU 30 41.089 -4.028 19.357
182 HB2 LEU 30 HB2 LEU 30 42.767 -4.339 16.872
183 HB3 LEU 30 HB1 LEU 30 43.434 -4.589 18.486
184 HG LEU 30 HG LEU 30 40.856 -5.947 17.883
185 HD11 LEU 30 HD11 LEU 30 43.474 -6.566 16.534
186 HD12 LEU 30 HD12 LEU 30 41.848 -6.569 15.851
187 HD13 LEU 30 HD13 LEU 30 42.355 -7.870 16.929
188 HD21 LEU 30 HD21 LEU 30 42.031 -6.136 20.065
189 HD22 LEU 30 HD22 LEU 30 43.430 -6.819 19.236
190 HD23 LEU 30 HD23 LEU 30 41.901 -7.698 19.257
191 H ILE 31 HN ILE 31 40.515 -1.509 19.429
192 HA ILE 31 HA ILE 31 42.571 -0.168 20.629
193 HB ILE 31 HB ILE 31 42.912 -0.085 17.749
194 HG12 ILE 31 HG12 ILE 31 44.641 -0.453 19.565
195 HG13 ILE 31 HG11 ILE 31 45.091 0.741 18.354
196 HG21 ILE 31 HG21 ILE 31 42.558 2.611 19.113
197 HG22 ILE 31 HG22 ILE 31 41.618 1.985 17.759
198 HG23 ILE 31 HG23 ILE 31 43.323 2.360 17.549
199 HD11 ILE 31 HD11 ILE 31 43.625 1.904 20.615
200 HD12 ILE 31 HD12 ILE 31 45.144 2.412 19.877
201 HD13 ILE 31 HD13 ILE 31 45.137 1.134 21.091
202 HA PRO 32 HA PRO 32 39.006 2.879 19.351
203 HB2 PRO 32 HB2 PRO 32 36.927 1.023 18.383
204 HB3 PRO 32 HB1 PRO 32 37.502 2.541 17.668
205 HG2 PRO 32 HG2 PRO 32 38.044 0.153 16.580
206 HG3 PRO 32 HG1 PRO 32 39.178 1.513 16.500
207 HD2 PRO 32 HD2 PRO 32 39.242 -0.891 18.295
208 HD3 PRO 32 HD1 PRO 32 40.587 -0.063 17.480
209 H ALA 33 HN ALA 33 38.269 -0.401 20.446
210 HA ALA 33 HA ALA 33 36.118 0.288 22.172
211 HB1 ALA 33 HB1 ALA 33 37.938 -2.080 21.897
212 HB2 ALA 33 HB2 ALA 33 36.191 -1.984 21.678
213 HB3 ALA 33 HB3 ALA 33 36.879 -1.949 23.302
214 H ILE 34 HN ILE 34 39.360 1.049 22.329
215 HA ILE 34 HA ILE 34 39.357 1.196 25.280
216 HB ILE 34 HB ILE 34 41.603 1.185 23.261
217 HG12 ILE 34 HG12 ILE 34 41.685 -0.580 25.605
218 HG13 ILE 34 HG11 ILE 34 40.280 -0.866 24.577
219 HG21 ILE 34 HG21 ILE 34 42.321 2.790 24.842
220 HG22 ILE 34 HG22 ILE 34 43.019 1.279 25.426
221 HG23 ILE 34 HG23 ILE 34 41.566 1.931 26.185
222 HD11 ILE 34 HD11 ILE 34 42.348 -2.194 23.948
223 HD12 ILE 34 HD12 ILE 34 43.100 -0.664 23.497
224 HD13 ILE 34 HD13 ILE 34 41.662 -1.224 22.645
225 H TYR 35 HN TYR 35 39.173 3.032 22.401
226 HA TYR 35 HA TYR 35 40.172 5.499 23.544
227 HB2 TYR 35 HB2 TYR 35 39.781 4.553 20.960
228 HB3 TYR 35 HB1 TYR 35 38.530 5.781 21.154
229 HD1 TYR 35 HD2 TYR 35 39.618 7.805 22.829
230 HD2 TYR 35 HD1 TYR 35 41.642 5.447 19.862
231 HE1 TYR 35 HE2 TYR 35 41.320 9.590 22.571
232 HE2 TYR 35 HE1 TYR 35 43.342 7.232 19.605
233 HH TYR 35 HH TYR 35 44.233 9.100 20.754
234 H MET 36 HN MET 36 37.003 4.175 22.609
235 HA MET 36 HA MET 36 35.566 6.469 23.594
236 HB2 MET 36 HB2 MET 36 34.319 3.778 23.114
237 HB3 MET 36 HB1 MET 36 33.632 5.382 22.858
238 HG2 MET 36 HG2 MET 36 35.742 5.524 21.174
239 HG3 MET 36 HG1 MET 36 35.425 3.790 21.105
240 HE1 MET 36 HE1 MET 36 35.353 5.982 18.901
241 HE2 MET 36 HE2 MET 36 34.459 7.239 19.754
242 HE3 MET 36 HE3 MET 36 33.761 6.491 18.320
243 H LEU 37 HN LEU 37 36.398 3.264 24.799
244 HA LEU 37 HA LEU 37 34.742 3.030 26.995
245 HB2 LEU 37 HB2 LEU 37 37.350 1.978 26.197
246 HB3 LEU 37 HB1 LEU 37 37.171 2.111 27.947
247 HG LEU 37 HG LEU 37 35.084 0.841 27.865
248 HD11 LEU 37 HD11 LEU 37 35.327 1.464 25.017
249 HD12 LEU 37 HD12 LEU 37 33.900 1.001 25.944
250 HD13 LEU 37 HD13 LEU 37 34.977 -0.240 25.305
251 HD21 LEU 37 HD21 LEU 37 36.396 -0.984 28.018
252 HD22 LEU 37 HD22 LEU 37 37.667 -0.161 27.112
253 HD23 LEU 37 HD23 LEU 37 36.433 -1.088 26.258
254 H VAL 38 HN VAL 38 37.168 5.374 26.418
255 HA VAL 38 HA VAL 38 37.319 6.103 29.266
256 HB VAL 38 HB VAL 38 38.905 7.108 26.890
257 HG11 VAL 38 HG11 VAL 38 40.372 7.948 28.866
258 HG12 VAL 38 HG12 VAL 38 38.910 7.762 29.833
259 HG13 VAL 38 HG13 VAL 38 38.923 8.866 28.459
260 HG21 VAL 38 HG21 VAL 38 39.593 4.876 27.320
261 HG22 VAL 38 HG22 VAL 38 39.433 5.077 29.065
262 HG23 VAL 38 HG23 VAL 38 40.751 5.871 28.203
263 H PHE 39 HN PHE 39 35.906 7.033 26.264
264 HA PHE 39 HA PHE 39 35.384 9.775 27.071
265 HB2 PHE 39 HB2 PHE 39 35.642 8.616 24.636
266 HB3 PHE 39 HB1 PHE 39 33.886 8.609 24.803
267 HD1 PHE 39 HD2 PHE 39 32.766 10.826 25.568
268 HD2 PHE 39 HD1 PHE 39 36.755 10.583 23.995
269 HE1 PHE 39 HE2 PHE 39 32.705 13.247 25.039
270 HE2 PHE 39 HE1 PHE 39 36.694 13.005 23.465
271 HZ PHE 39 HZ PHE 39 34.669 14.337 23.987
272 H LEU 40 HN LEU 40 33.400 6.894 26.354
273 HA LEU 40 HA LEU 40 30.987 8.057 27.341
274 HB2 LEU 40 HB2 LEU 40 30.082 5.768 27.162
275 HB3 LEU 40 HB1 LEU 40 30.957 6.235 25.702
276 HG LEU 40 HG LEU 40 32.951 5.137 27.262
277 HD11 LEU 40 HD11 LEU 40 32.146 3.131 28.262
278 HD12 LEU 40 HD12 LEU 40 30.562 3.299 27.504
279 HD13 LEU 40 HD13 LEU 40 31.038 4.391 28.804
280 HD21 LEU 40 HD21 LEU 40 31.164 3.763 25.229
281 HD22 LEU 40 HD22 LEU 40 32.774 3.220 25.700
282 HD23 LEU 40 HD23 LEU 40 32.573 4.756 24.858
283 H LEU 41 HN LEU 41 33.724 6.922 28.904
284 HA LEU 41 HA LEU 41 32.609 5.620 31.163
285 HB2 LEU 41 HB2 LEU 41 35.185 6.283 30.244
286 HB3 LEU 41 HB1 LEU 41 35.019 7.069 31.814
287 HG LEU 41 HG LEU 41 34.435 4.147 31.249
288 HD11 LEU 41 HD11 LEU 41 36.440 3.817 32.750
289 HD12 LEU 41 HD12 LEU 41 36.746 5.549 32.622
290 HD13 LEU 41 HD13 LEU 41 36.820 4.532 31.183
291 HD21 LEU 41 HD21 LEU 41 34.755 4.639 34.002
292 HD22 LEU 41 HD22 LEU 41 33.249 4.262 33.166
293 HD23 LEU 41 HD23 LEU 41 33.723 5.943 33.416
294 H GLY 42 HN GLY 42 33.444 9.002 30.499
295 HA2 GLY 42 HA2 GLY 42 32.691 9.918 33.124
296 HA3 GLY 42 HA1 GLY 42 33.074 10.929 31.733
297 H THR 43 HN THR 43 31.275 10.315 29.867
298 HA THR 43 HA THR 43 28.599 10.285 31.042
299 HB THR 43 HB THR 43 29.242 12.666 31.073
300 HG1 THR 43 HG1 THR 43 27.300 13.120 30.440
301 HG21 THR 43 HG21 THR 43 30.367 13.636 29.379
302 HG22 THR 43 HG22 THR 43 29.213 13.039 28.186
303 HG23 THR 43 HG23 THR 43 30.560 12.021 28.699
304 H THR 44 HN THR 44 27.851 11.630 28.345
305 HA THR 44 HA THR 44 27.294 10.977 26.208
306 HB THR 44 HB THR 44 28.949 8.517 26.262
307 HG1 THR 44 HG1 THR 44 30.322 9.781 27.403
308 HG21 THR 44 HG21 THR 44 27.748 9.697 24.279
309 HG22 THR 44 HG22 THR 44 29.402 9.134 24.040
310 HG23 THR 44 HG23 THR 44 29.087 10.841 24.353
311 H GLY 45 HN GLY 45 27.609 8.373 28.588
312 HA2 GLY 45 HA2 GLY 45 24.865 7.565 28.113
313 HA3 GLY 45 HA1 GLY 45 26.068 6.366 27.643
314 H ASN 46 HN ASN 46 25.777 8.622 30.396
315 HA ASN 46 HA ASN 46 25.525 6.410 32.264
316 HB2 ASN 46 HB2 ASN 46 27.966 8.196 32.224
317 HB3 ASN 46 HB1 ASN 46 27.517 7.169 33.585
318 HD21 ASN 46 HD21 ASN 46 28.326 7.011 30.088
319 HD22 ASN 46 HD22 ASN 46 28.920 5.422 30.145
320 H GLY 47 HN GLY 47 23.982 7.060 33.610
321 HA2 GLY 47 HA2 GLY 47 23.117 8.394 35.351
322 HA3 GLY 47 HA1 GLY 47 24.125 9.730 34.801
323 H LEU 48 HN LEU 48 23.246 9.237 31.976
324 HA LEU 48 HA LEU 48 20.703 10.704 32.170
325 HB2 LEU 48 HB2 LEU 48 23.000 10.738 30.336
326 HB3 LEU 48 HB1 LEU 48 21.439 10.771 29.519
327 HG LEU 48 HG LEU 48 22.347 13.052 30.086
328 HD11 LEU 48 HD11 LEU 48 20.019 13.207 31.743
329 HD12 LEU 48 HD12 LEU 48 19.719 12.003 30.491
330 HD13 LEU 48 HD13 LEU 48 20.179 13.645 30.043
331 HD21 LEU 48 HD21 LEU 48 23.022 11.898 32.479
332 HD22 LEU 48 HD22 LEU 48 21.548 12.763 32.914
333 HD23 LEU 48 HD23 LEU 48 22.909 13.638 32.212
334 H VAL 49 HN VAL 49 22.093 7.714 31.114
335 HA VAL 49 HA VAL 49 19.854 6.979 29.427
336 HB VAL 49 HB VAL 49 22.171 5.333 30.472
337 HG11 VAL 49 HG11 VAL 49 21.509 3.851 28.523
338 HG12 VAL 49 HG12 VAL 49 20.024 4.796 28.403
339 HG13 VAL 49 HG13 VAL 49 20.362 3.866 29.862
340 HG21 VAL 49 HG21 VAL 49 21.740 6.496 27.708
341 HG22 VAL 49 HG22 VAL 49 23.204 5.745 28.344
342 HG23 VAL 49 HG23 VAL 49 22.683 7.316 28.952
343 H LEU 50 HN LEU 50 21.227 5.688 32.463
344 HA LEU 50 HA LEU 50 18.973 4.039 33.024
345 HB2 LEU 50 HB2 LEU 50 20.005 3.847 35.290
346 HB3 LEU 50 HB1 LEU 50 21.135 3.504 33.979
347 HG LEU 50 HG LEU 50 21.205 6.314 34.471
348 HD11 LEU 50 HD11 LEU 50 20.269 5.710 36.706
349 HD12 LEU 50 HD12 LEU 50 21.899 6.375 36.810
350 HD13 LEU 50 HD13 LEU 50 21.645 4.636 36.959
351 HD21 LEU 50 HD21 LEU 50 23.577 5.773 35.050
352 HD22 LEU 50 HD22 LEU 50 23.050 4.993 33.558
353 HD23 LEU 50 HD23 LEU 50 23.155 4.061 35.051
354 H TRP 51 HN TRP 51 19.270 7.338 33.050
355 HA TRP 51 HA TRP 51 17.751 7.922 35.433
356 HB2 TRP 51 HB2 TRP 51 18.731 9.900 35.033
357 HB3 TRP 51 HB1 TRP 51 19.170 9.415 33.395
358 HD1 TRP 51 HD1 TRP 51 17.279 9.769 31.475
359 HE1 TRP 51 HE1 TRP 51 15.409 11.536 31.293
360 HE3 TRP 51 HE3 TRP 51 17.095 11.363 36.323
361 HZ2 TRP 51 HZ2 TRP 51 14.020 13.381 32.982
362 HZ3 TRP 51 HZ3 TRP 51 15.492 13.123 37.008
363 HH2 TRP 51 HH2 TRP 51 13.955 14.133 35.345
364 H THR 52 HN THR 52 17.092 7.476 32.007
365 HA THR 52 HA THR 52 14.419 8.449 32.037
366 HB THR 52 HB THR 52 16.016 7.920 30.028
367 HG1 THR 52 HG1 THR 52 13.805 7.155 28.985
368 HG21 THR 52 HG21 THR 52 15.888 5.767 29.102
369 HG22 THR 52 HG22 THR 52 14.460 5.344 30.047
370 HG23 THR 52 HG23 THR 52 16.038 5.441 30.829
371 H VAL 53 HN VAL 53 15.887 5.493 33.061
372 HA VAL 53 HA VAL 53 13.501 3.887 32.939
373 HB VAL 53 HB VAL 53 16.048 3.436 34.510
374 HG11 VAL 53 HG11 VAL 53 13.700 1.691 33.749
375 HG12 VAL 53 HG12 VAL 53 14.352 1.995 35.359
376 HG13 VAL 53 HG13 VAL 53 15.261 1.013 34.210
377 HG21 VAL 53 HG21 VAL 53 16.783 3.503 32.292
378 HG22 VAL 53 HG22 VAL 53 15.246 2.911 31.661
379 HG23 VAL 53 HG23 VAL 53 16.355 1.802 32.469
380 H PHE 54 HN PHE 54 15.094 5.906 35.330
381 HA PHE 54 HA PHE 54 13.408 5.041 37.509
382 HB2 PHE 54 HB2 PHE 54 15.178 5.899 38.596
383 HB3 PHE 54 HB1 PHE 54 15.732 6.754 37.155
384 HD1 PHE 54 HD1 PHE 54 13.540 6.946 40.130
385 HD2 PHE 54 HD2 PHE 54 15.137 9.061 36.749
386 HE1 PHE 54 HE1 PHE 54 12.732 9.086 41.087
387 HE2 PHE 54 HE2 PHE 54 14.329 11.201 37.707
388 HZ PHE 54 HZ PHE 54 13.126 11.214 39.875
389 H ARG 55 HN ARG 55 13.003 7.085 34.863
390 HA ARG 55 HA ARG 55 11.132 8.886 36.213
391 HB2 ARG 55 HB2 ARG 55 12.306 8.759 33.445
392 HB3 ARG 55 HB1 ARG 55 10.911 9.780 33.798
393 HG2 ARG 55 HG2 ARG 55 13.153 9.980 35.724
394 HG3 ARG 55 HG1 ARG 55 13.483 10.604 34.108
395 HD2 ARG 55 HD2 ARG 55 12.436 12.216 35.859
396 HD3 ARG 55 HD1 ARG 55 11.764 12.196 34.231
397 HE ARG 55 HE ARG 55 10.265 10.346 35.574
398 HH11 ARG 55 HH21 ARG 55 11.172 13.641 36.110
399 HH12 ARG 55 HH22 ARG 55 9.720 14.047 36.962
400 HH21 ARG 55 HH11 ARG 55 8.357 10.870 36.690
401 HH22 ARG 55 HH12 ARG 55 8.126 12.479 37.289
402 H LYS 56 HN LYS 56 11.095 6.637 33.440
403 HA LYS 56 HA LYS 56 8.409 6.671 32.834
404 HB2 LYS 56 HB2 LYS 56 10.222 4.245 32.869
405 HB3 LYS 56 HB1 LYS 56 8.705 4.387 31.977
406 HG2 LYS 56 HG2 LYS 56 10.455 6.644 31.434
407 HG3 LYS 56 HG1 LYS 56 11.250 5.115 31.056
408 HD2 LYS 56 HD2 LYS 56 9.333 4.435 29.679
409 HD3 LYS 56 HD1 LYS 56 8.497 5.935 30.081
410 HE2 LYS 56 HE2 LYS 56 11.248 6.052 28.879
411 HE3 LYS 56 HE1 LYS 56 9.851 5.779 27.837
412 HZ1 LYS 56 HZ1 LYS 56 9.519 7.899 29.769
413 HZ2 LYS 56 HZ2 LYS 56 9.134 7.863 28.114
414 HZ3 LYS 56 HZ3 LYS 56 10.724 8.195 28.612
415 H LYS 57 HN LYS 57 10.000 4.445 35.131
416 HA LYS 57 HA LYS 57 7.517 3.392 36.097
417 HB2 LYS 57 HB2 LYS 57 10.348 3.232 37.145
418 HB3 LYS 57 HB1 LYS 57 8.985 2.394 37.887
419 HG2 LYS 57 HG2 LYS 57 8.847 0.856 36.209
420 HG3 LYS 57 HG1 LYS 57 9.239 2.039 34.960
421 HD2 LYS 57 HD2 LYS 57 11.573 1.883 35.397
422 HD3 LYS 57 HD1 LYS 57 11.307 1.038 36.922
423 HE2 LYS 57 HE2 LYS 57 12.036 -0.408 34.931
424 HE3 LYS 57 HE1 LYS 57 10.615 -0.954 35.821
425 HZ1 LYS 57 HZ1 LYS 57 10.598 0.623 33.305
426 HZ2 LYS 57 HZ2 LYS 57 9.218 0.145 34.174
427 HZ3 LYS 57 HZ3 LYS 57 10.218 -1.023 33.452
428 H GLY 58 HN GLY 58 7.062 5.999 36.262
429 HA2 GLY 58 HA2 GLY 58 7.640 6.859 39.018
430 HA3 GLY 58 HA1 GLY 58 7.051 7.893 37.720
431 H HIS 59 HN HIS 59 4.830 7.701 37.062
432 HA HIS 59 HA HIS 59 3.090 6.973 39.301
433 HB2 HIS 59 HB2 HIS 59 2.341 8.343 36.712
434 HB3 HIS 59 HB1 HIS 59 1.403 8.286 38.205
435 HD2 HIS 59 HD2 HIS 59 3.439 9.331 40.426
436 HE1 HIS 59 HE1 HIS 59 4.441 12.466 37.782
437 HE2 HIS 59 HE2 HIS 59 4.550 11.683 40.196
438 H HIS 60 HN HIS 60 3.294 6.410 35.786
439 HA HIS 60 HA HIS 60 2.212 4.848 34.462
440 HB2 HIS 60 HB2 HIS 60 2.808 2.542 35.126
441 HB3 HIS 60 HB1 HIS 60 4.176 3.645 35.262
442 HD2 HIS 60 HD2 HIS 60 2.011 1.369 37.547
443 HE1 HIS 60 HE1 HIS 60 4.649 3.512 40.054
444 HE2 HIS 60 HE2 HIS 60 2.963 1.615 39.967
445 H HIS 61 HN HIS 61 0.032 5.335 34.565
446 HA HIS 61 HA HIS 61 -1.641 4.577 36.757
447 HB2 HIS 61 HB2 HIS 61 -3.494 5.075 35.095
448 HB3 HIS 61 HB1 HIS 61 -2.370 6.401 35.398
449 HD2 HIS 61 HD2 HIS 61 -0.311 6.636 33.278
450 HE1 HIS 61 HE1 HIS 61 -2.722 4.680 30.417
451 HE2 HIS 61 HE2 HIS 61 -0.641 6.099 30.744
452 H HIS 62 HN HIS 62 -3.827 3.372 35.693
453 HA HIS 62 HA HIS 62 -3.362 0.678 35.881
454 HB2 HIS 62 HB2 HIS 62 -5.450 1.780 34.003
455 HB3 HIS 62 HB1 HIS 62 -5.531 0.326 34.999
456 HD2 HIS 62 HD2 HIS 62 -6.655 3.947 35.216
457 HE1 HIS 62 HE1 HIS 62 -6.471 2.586 39.209
458 HE2 HIS 62 HE2 HIS 62 -7.293 4.454 37.697
459 H HIS 63 HN HIS 63 -2.274 -0.750 34.702
460 HA HIS 63 HA HIS 63 -0.944 -0.150 32.315
461 HB2 HIS 63 HB2 HIS 63 -1.766 -2.948 33.062
462 HB3 HIS 63 HB1 HIS 63 -0.287 -2.410 32.266
463 HD2 HIS 63 HD2 HIS 63 1.652 -1.228 34.032
464 HE1 HIS 63 HE1 HIS 63 -0.319 -2.378 37.583
465 HE2 HIS 63 HE2 HIS 63 1.836 -1.432 36.629
466 H HIS 64 HN HIS 64 -1.341 -1.993 30.434
467 HA HIS 64 HA HIS 64 -2.575 -2.363 28.527
468 HB2 HIS 64 HB2 HIS 64 -4.911 -2.581 30.433
469 HB3 HIS 64 HB1 HIS 64 -4.726 -3.363 28.862
470 HD2 HIS 64 HD2 HIS 64 -1.865 -4.811 29.128
471 HE1 HIS 64 HE1 HIS 64 -3.228 -6.327 32.824
472 HE2 HIS 64 HE2 HIS 64 -1.492 -6.601 30.991
Start of MODEL 17
1 H1 MET 1 HT1 MET 1 47.424 -11.647 -31.052
2 H2 MET 1 HT2 MET 1 48.946 -11.327 -31.736
3 H3 MET 1 HT3 MET 1 48.218 -12.848 -31.947
4 HA MET 1 HA MET 1 47.823 -10.397 -33.405
5 HB2 MET 1 HB2 MET 1 46.962 -12.096 -35.075
6 HB3 MET 1 HB1 MET 1 48.616 -12.374 -34.527
7 HG2 MET 1 HG2 MET 1 46.620 -13.654 -32.806
8 HG3 MET 1 HG1 MET 1 46.572 -14.244 -34.467
9 HE1 MET 1 HE1 MET 1 48.451 -16.988 -32.642
10 HE2 MET 1 HE2 MET 1 46.879 -16.238 -32.906
11 HE3 MET 1 HE3 MET 1 47.813 -15.829 -31.469
12 H GLU 2 HN GLU 2 45.623 -10.444 -34.705
13 HA GLU 2 HA GLU 2 43.504 -10.313 -32.673
14 HB2 GLU 2 HB2 GLU 2 42.282 -9.041 -34.485
15 HB3 GLU 2 HB1 GLU 2 43.760 -8.275 -33.906
16 HG2 GLU 2 HG2 GLU 2 44.829 -8.546 -35.894
17 HG3 GLU 2 HG1 GLU 2 44.156 -10.155 -36.144
18 H GLU 3 HN GLU 3 43.572 -12.780 -32.825
19 HA GLU 3 HA GLU 3 41.299 -13.638 -34.346
20 HB2 GLU 3 HB2 GLU 3 42.741 -13.858 -36.203
21 HB3 GLU 3 HB1 GLU 3 44.060 -14.484 -35.211
22 HG2 GLU 3 HG2 GLU 3 43.108 -16.593 -35.029
23 HG3 GLU 3 HG1 GLU 3 41.472 -15.991 -35.283
24 H GLY 4 HN GLY 4 40.437 -14.435 -32.476
25 HA2 GLY 4 HA2 GLY 4 40.051 -16.480 -31.274
26 HA3 GLY 4 HA1 GLY 4 41.781 -16.801 -31.337
27 H GLY 5 HN GLY 5 40.428 -13.666 -30.535
28 HA2 GLY 5 HA2 GLY 5 41.971 -13.284 -28.239
29 HA3 GLY 5 HA1 GLY 5 40.492 -12.401 -28.613
30 H ASP 6 HN ASP 6 41.596 -13.542 -26.053
31 HA ASP 6 HA ASP 6 39.123 -14.912 -25.231
32 HB2 ASP 6 HB2 ASP 6 41.918 -15.935 -25.017
33 HB3 ASP 6 HB1 ASP 6 40.813 -16.252 -23.680
34 H PHE 7 HN PHE 7 38.332 -14.209 -23.327
35 HA PHE 7 HA PHE 7 39.664 -11.989 -22.025
36 HB2 PHE 7 HB2 PHE 7 36.971 -13.236 -21.950
37 HB3 PHE 7 HB1 PHE 7 37.507 -12.431 -20.474
38 HD1 PHE 7 HD1 PHE 7 38.210 -10.026 -20.547
39 HD2 PHE 7 HD2 PHE 7 36.410 -11.989 -23.917
40 HE1 PHE 7 HE1 PHE 7 37.715 -7.820 -21.568
41 HE2 PHE 7 HE2 PHE 7 35.917 -9.783 -24.938
42 HZ PHE 7 HZ PHE 7 36.569 -7.699 -23.764
43 H ASP 8 HN ASP 8 39.366 -12.058 -19.473
44 HA ASP 8 HA ASP 8 40.112 -14.656 -18.361
45 HB2 ASP 8 HB2 ASP 8 41.930 -12.250 -18.404
46 HB3 ASP 8 HB1 ASP 8 42.094 -13.527 -17.202
47 H ASN 9 HN ASN 9 37.758 -13.437 -17.889
48 HA ASN 9 HA ASN 9 38.040 -12.604 -15.083
49 HB2 ASN 9 HB2 ASN 9 36.239 -11.180 -17.053
50 HB3 ASN 9 HB1 ASN 9 36.472 -10.783 -15.351
51 HD21 ASN 9 HD21 ASN 9 38.002 -9.178 -14.965
52 HD22 ASN 9 HD22 ASN 9 39.256 -8.757 -16.027
53 H TYR 10 HN TYR 10 37.353 -15.139 -15.972
54 HA TYR 10 HA TYR 10 34.625 -15.643 -16.350
55 HB2 TYR 10 HB2 TYR 10 36.809 -17.284 -15.063
56 HB3 TYR 10 HB1 TYR 10 35.175 -17.898 -15.313
57 HD1 TYR 10 HD2 TYR 10 38.072 -16.361 -17.106
58 HD2 TYR 10 HD1 TYR 10 34.517 -18.753 -17.411
59 HE1 TYR 10 HE2 TYR 10 38.628 -16.887 -19.464
60 HE2 TYR 10 HE1 TYR 10 35.073 -19.278 -19.770
61 HH TYR 10 HH TYR 10 36.697 -17.813 -21.645
62 H TYR 11 HN TYR 11 36.514 -15.430 -13.343
63 HA TYR 11 HA TYR 11 34.629 -16.125 -11.471
64 HB2 TYR 11 HB2 TYR 11 36.057 -15.226 -9.950
65 HB3 TYR 11 HB1 TYR 11 37.123 -15.054 -11.345
66 HD1 TYR 11 HD1 TYR 11 36.944 -12.871 -12.719
67 HD2 TYR 11 HD2 TYR 11 35.341 -13.324 -8.760
68 HE1 TYR 11 HE1 TYR 11 36.893 -10.406 -12.459
69 HE2 TYR 11 HE2 TYR 11 35.290 -10.858 -8.499
70 HH TYR 11 HH TYR 11 35.670 -8.901 -9.462
71 H GLY 12 HN GLY 12 33.544 -14.502 -9.910
72 HA2 GLY 12 HA2 GLY 12 32.464 -12.119 -11.182
73 HA3 GLY 12 HA1 GLY 12 31.302 -13.413 -10.904
74 H ALA 13 HN ALA 13 31.007 -14.166 -8.689
75 HA ALA 13 HA ALA 13 30.396 -13.662 -6.523
76 HB1 ALA 13 HB1 ALA 13 33.145 -12.423 -6.360
77 HB2 ALA 13 HB2 ALA 13 32.885 -14.167 -6.392
78 HB3 ALA 13 HB3 ALA 13 32.228 -13.201 -5.070
79 H ASP 14 HN ASP 14 29.160 -11.891 -8.015
80 HA ASP 14 HA ASP 14 29.839 -9.201 -7.029
81 HB2 ASP 14 HB2 ASP 14 27.892 -8.639 -8.704
82 HB3 ASP 14 HB1 ASP 14 29.504 -9.008 -9.314
83 H ASN 15 HN ASN 15 29.069 -10.048 -4.866
84 HA ASN 15 HA ASN 15 26.353 -9.141 -4.451
85 HB2 ASN 15 HB2 ASN 15 26.805 -11.909 -4.825
86 HB3 ASN 15 HB1 ASN 15 26.524 -11.669 -3.101
87 HD21 ASN 15 HD21 ASN 15 24.348 -11.721 -2.547
88 HD22 ASN 15 HD22 ASN 15 23.070 -11.287 -3.576
89 H GLN 16 HN GLN 16 29.279 -8.742 -3.633
90 HA GLN 16 HA GLN 16 29.536 -9.392 -0.889
91 HB2 GLN 16 HB2 GLN 16 31.343 -7.729 -0.876
92 HB3 GLN 16 HB1 GLN 16 31.454 -8.761 -2.302
93 HG2 GLN 16 HG2 GLN 16 29.816 -6.741 -3.192
94 HG3 GLN 16 HG1 GLN 16 30.910 -5.875 -2.115
95 HE21 GLN 16 HE21 GLN 16 31.417 -8.660 -4.361
96 HE22 GLN 16 HE22 GLN 16 32.713 -7.936 -5.186
97 H SER 17 HN SER 17 28.039 -6.713 -2.586
98 HA SER 17 HA SER 17 26.957 -4.817 -1.824
99 HB2 SER 17 HB2 SER 17 25.434 -6.802 -1.280
100 HB3 SER 17 HB1 SER 17 25.992 -6.635 0.381
101 HG SER 17 HG SER 17 24.843 -4.876 0.579
102 H GLU 18 HN GLU 18 26.203 -3.928 0.652
103 HA GLU 18 HA GLU 18 28.791 -3.182 1.795
104 HB2 GLU 18 HB2 GLU 18 26.677 -1.646 1.206
105 HB3 GLU 18 HB1 GLU 18 26.248 -2.069 2.863
106 HG2 GLU 18 HG2 GLU 18 28.641 -1.406 3.492
107 HG3 GLU 18 HG1 GLU 18 28.750 -0.685 1.887
108 H CYS 19 HN CYS 19 29.569 -4.131 3.557
109 HA CYS 19 HA CYS 19 27.963 -4.783 5.824
110 HB2 CYS 19 HB2 CYS 19 28.942 -7.330 5.408
111 HB3 CYS 19 HB1 CYS 19 27.271 -6.823 5.161
112 HG CYS 19 HG CYS 19 27.889 -7.722 2.865
113 H GLU 20 HN GLU 20 29.300 -4.226 7.410
114 HA GLU 20 HA GLU 20 31.154 -4.258 8.785
115 HB2 GLU 20 HB2 GLU 20 31.363 -6.657 7.610
116 HB3 GLU 20 HB1 GLU 20 32.783 -5.885 6.902
117 HG2 GLU 20 HG2 GLU 20 33.512 -5.225 9.201
118 HG3 GLU 20 HG1 GLU 20 32.151 -6.135 9.856
119 H TYR 21 HN TYR 21 30.780 -2.791 5.995
120 HA TYR 21 HA TYR 21 33.481 -1.954 5.399
121 HB2 TYR 21 HB2 TYR 21 32.583 -0.861 3.582
122 HB3 TYR 21 HB1 TYR 21 31.327 -2.069 3.851
123 HD1 TYR 21 HD1 TYR 21 29.848 -1.134 6.136
124 HD2 TYR 21 HD2 TYR 21 31.572 1.149 2.931
125 HE1 TYR 21 HE1 TYR 21 28.190 0.669 6.528
126 HE2 TYR 21 HE2 TYR 21 29.915 2.951 3.323
127 HH TYR 21 HH TYR 21 27.993 3.479 4.383
128 H THR 22 HN THR 22 31.756 -1.392 8.018
129 HA THR 22 HA THR 22 32.130 1.511 8.158
130 HB THR 22 HB THR 22 30.934 -0.406 10.173
131 HG1 THR 22 HG1 THR 22 29.859 1.234 8.142
132 HG21 THR 22 HG21 THR 22 31.633 1.507 11.370
133 HG22 THR 22 HG22 THR 22 29.943 1.837 10.988
134 HG23 THR 22 HG23 THR 22 31.224 2.592 10.041
135 H ASP 23 HN ASP 23 33.181 -1.455 9.808
136 HA ASP 23 HA ASP 23 35.240 0.095 11.233
137 HB2 ASP 23 HB2 ASP 23 34.059 -2.647 11.646
138 HB3 ASP 23 HB1 ASP 23 35.551 -2.149 12.443
139 H TRP 24 HN TRP 24 35.364 -0.558 8.359
140 HA TRP 24 HA TRP 24 36.996 -2.689 7.705
141 HB2 TRP 24 HB2 TRP 24 37.938 -0.935 5.953
142 HB3 TRP 24 HB1 TRP 24 36.289 -1.540 5.839
143 HD1 TRP 24 HD1 TRP 24 37.237 0.983 8.535
144 HE1 TRP 24 HE1 TRP 24 36.025 3.206 8.058
145 HE3 TRP 24 HE3 TRP 24 35.261 -0.058 3.942
146 HZ2 TRP 24 HZ2 TRP 24 34.424 4.387 6.002
147 HZ3 TRP 24 HZ3 TRP 24 33.897 1.632 2.748
148 HH2 TRP 24 HH2 TRP 24 33.477 3.852 3.771
149 H LYS 25 HN LYS 25 38.737 0.241 7.196
150 HA LYS 25 HA LYS 25 41.175 -0.735 8.122
151 HB2 LYS 25 HB2 LYS 25 40.180 2.101 7.798
152 HB3 LYS 25 HB1 LYS 25 41.852 1.703 8.195
153 HG2 LYS 25 HG2 LYS 25 42.121 0.461 6.145
154 HG3 LYS 25 HG1 LYS 25 40.399 0.589 5.782
155 HD2 LYS 25 HD2 LYS 25 41.806 3.159 6.233
156 HD3 LYS 25 HD1 LYS 25 42.263 2.285 4.770
157 HE2 LYS 25 HE2 LYS 25 40.033 2.284 3.945
158 HE3 LYS 25 HE1 LYS 25 39.372 2.751 5.512
159 HZ1 LYS 25 HZ1 LYS 25 39.385 4.757 4.477
160 HZ2 LYS 25 HZ2 LYS 25 40.724 4.388 3.500
161 HZ3 LYS 25 HZ3 LYS 25 40.949 4.796 5.134
162 H SER 26 HN SER 26 40.177 2.205 9.692
163 HA SER 26 HA SER 26 40.326 2.841 11.902
164 HB2 SER 26 HB2 SER 26 39.069 1.208 13.449
165 HB3 SER 26 HB1 SER 26 38.163 1.941 12.128
166 HG SER 26 HG SER 26 39.398 -0.622 12.138
167 H SER 27 HN SER 27 42.505 1.108 10.762
168 HA SER 27 HA SER 27 44.451 0.130 11.492
169 HB2 SER 27 HB2 SER 27 44.118 2.175 13.131
170 HB3 SER 27 HB1 SER 27 43.834 0.903 14.315
171 HG SER 27 HG SER 27 46.130 1.774 13.570
172 H GLY 28 HN GLY 28 42.110 -1.486 11.355
173 HA2 GLY 28 HA2 GLY 28 41.751 -3.750 11.792
174 HA3 GLY 28 HA1 GLY 28 42.963 -3.671 13.068
175 H ALA 29 HN ALA 29 40.762 -1.131 13.310
176 HA ALA 29 HA ALA 29 39.271 -0.619 14.999
177 HB1 ALA 29 HB1 ALA 29 38.218 -3.238 13.920
178 HB2 ALA 29 HB2 ALA 29 37.718 -1.607 13.472
179 HB3 ALA 29 HB3 ALA 29 37.327 -2.241 15.071
180 H LEU 30 HN LEU 30 41.397 -1.283 16.310
181 HA LEU 30 HA LEU 30 40.470 -3.133 18.420
182 HB2 LEU 30 HB2 LEU 30 43.125 -3.048 17.019
183 HB3 LEU 30 HB1 LEU 30 43.026 -3.595 18.693
184 HG LEU 30 HG LEU 30 41.085 -4.722 16.711
185 HD11 LEU 30 HD11 LEU 30 43.985 -5.566 17.000
186 HD12 LEU 30 HD12 LEU 30 43.221 -4.927 15.545
187 HD13 LEU 30 HD13 LEU 30 42.746 -6.506 16.170
188 HD21 LEU 30 HD21 LEU 30 41.349 -5.110 19.332
189 HD22 LEU 30 HD22 LEU 30 42.585 -6.254 18.805
190 HD23 LEU 30 HD23 LEU 30 40.918 -6.442 18.260
191 H ILE 31 HN ILE 31 42.204 -0.252 17.483
192 HA ILE 31 HA ILE 31 42.994 0.396 20.187
193 HB ILE 31 HB ILE 31 43.572 1.368 17.510
194 HG12 ILE 31 HG12 ILE 31 45.135 0.370 19.225
195 HG13 ILE 31 HG11 ILE 31 45.695 1.876 18.503
196 HG21 ILE 31 HG21 ILE 31 43.069 3.455 19.663
197 HG22 ILE 31 HG22 ILE 31 42.287 3.347 18.083
198 HG23 ILE 31 HG23 ILE 31 43.999 3.738 18.194
199 HD11 ILE 31 HD11 ILE 31 44.071 2.311 20.911
200 HD12 ILE 31 HD12 ILE 31 45.653 2.961 20.489
201 HD13 ILE 31 HD13 ILE 31 45.524 1.363 21.221
202 HA PRO 32 HA PRO 32 39.401 3.645 19.361
203 HB2 PRO 32 HB2 PRO 32 37.538 1.831 17.925
204 HB3 PRO 32 HB1 PRO 32 37.889 3.544 17.638
205 HG2 PRO 32 HG2 PRO 32 38.778 1.639 16.000
206 HG3 PRO 32 HG1 PRO 32 39.730 3.092 16.351
207 HD2 PRO 32 HD2 PRO 32 40.088 0.306 17.390
208 HD3 PRO 32 HD1 PRO 32 41.317 1.523 16.976
209 H ALA 33 HN ALA 33 38.898 0.176 19.766
210 HA ALA 33 HA ALA 33 36.617 0.225 21.397
211 HB1 ALA 33 HB1 ALA 33 37.102 -2.011 21.911
212 HB2 ALA 33 HB2 ALA 33 38.843 -1.758 21.794
213 HB3 ALA 33 HB3 ALA 33 37.857 -1.786 20.333
214 H ILE 34 HN ILE 34 39.939 0.987 22.077
215 HA ILE 34 HA ILE 34 39.605 0.856 24.959
216 HB ILE 34 HB ILE 34 41.861 1.741 23.158
217 HG12 ILE 34 HG12 ILE 34 41.825 -0.432 25.257
218 HG13 ILE 34 HG11 ILE 34 41.251 -0.733 23.616
219 HG21 ILE 34 HG21 ILE 34 41.424 2.138 26.089
220 HG22 ILE 34 HG22 ILE 34 42.281 3.160 24.935
221 HG23 ILE 34 HG23 ILE 34 43.042 1.692 25.548
222 HD11 ILE 34 HD11 ILE 34 43.856 -1.004 24.390
223 HD12 ILE 34 HD12 ILE 34 43.857 0.653 23.784
224 HD13 ILE 34 HD13 ILE 34 43.350 -0.671 22.733
225 H TYR 35 HN TYR 35 39.590 3.270 22.411
226 HA TYR 35 HA TYR 35 39.739 5.569 24.069
227 HB2 TYR 35 HB2 TYR 35 39.516 5.018 21.299
228 HB3 TYR 35 HB1 TYR 35 38.168 6.075 21.721
229 HD1 TYR 35 HD1 TYR 35 38.706 8.160 23.167
230 HD2 TYR 35 HD2 TYR 35 41.675 5.910 21.026
231 HE1 TYR 35 HE1 TYR 35 40.254 10.095 23.280
232 HE2 TYR 35 HE2 TYR 35 43.222 7.846 21.139
233 HH TYR 35 HH TYR 35 42.176 10.974 22.217
234 H MET 36 HN MET 36 36.995 3.769 22.699
235 HA MET 36 HA MET 36 34.968 5.447 23.738
236 HB2 MET 36 HB2 MET 36 33.468 3.520 23.318
237 HB3 MET 36 HB1 MET 36 34.518 3.857 21.942
238 HG2 MET 36 HG2 MET 36 36.077 2.088 22.722
239 HG3 MET 36 HG1 MET 36 34.979 1.729 24.052
240 HE1 MET 36 HE1 MET 36 35.512 2.220 20.460
241 HE2 MET 36 HE2 MET 36 33.812 2.541 20.132
242 HE3 MET 36 HE3 MET 36 34.534 1.025 19.598
243 H LEU 37 HN LEU 37 36.746 2.730 25.075
244 HA LEU 37 HA LEU 37 35.149 2.080 27.259
245 HB2 LEU 37 HB2 LEU 37 37.709 1.411 26.351
246 HB3 LEU 37 HB1 LEU 37 37.976 2.100 27.950
247 HG LEU 37 HG LEU 37 37.606 -0.294 28.173
248 HD11 LEU 37 HD11 LEU 37 36.277 -0.072 30.001
249 HD12 LEU 37 HD12 LEU 37 34.941 0.596 29.065
250 HD13 LEU 37 HD13 LEU 37 36.266 1.640 29.579
251 HD21 LEU 37 HD21 LEU 37 34.844 -0.494 27.424
252 HD22 LEU 37 HD22 LEU 37 36.220 -1.386 26.776
253 HD23 LEU 37 HD23 LEU 37 35.750 0.155 26.058
254 H VAL 38 HN VAL 38 37.590 4.630 26.928
255 HA VAL 38 HA VAL 38 36.966 5.618 29.616
256 HB VAL 38 HB VAL 38 38.916 6.925 27.748
257 HG11 VAL 38 HG11 VAL 38 38.950 6.401 30.736
258 HG12 VAL 38 HG12 VAL 38 38.345 7.884 29.996
259 HG13 VAL 38 HG13 VAL 38 40.048 7.449 29.836
260 HG21 VAL 38 HG21 VAL 38 40.568 5.257 28.970
261 HG22 VAL 38 HG22 VAL 38 39.738 4.760 27.496
262 HG23 VAL 38 HG23 VAL 38 39.132 4.237 29.068
263 H PHE 39 HN PHE 39 34.976 5.775 27.495
264 HA PHE 39 HA PHE 39 34.698 8.717 27.331
265 HB2 PHE 39 HB2 PHE 39 35.156 7.718 25.110
266 HB3 PHE 39 HB1 PHE 39 33.741 6.686 25.303
267 HD1 PHE 39 HD1 PHE 39 34.671 10.313 25.612
268 HD2 PHE 39 HD2 PHE 39 31.731 7.432 24.379
269 HE1 PHE 39 HE1 PHE 39 33.225 12.145 24.777
270 HE2 PHE 39 HE2 PHE 39 30.287 9.265 23.543
271 HZ PHE 39 HZ PHE 39 31.033 11.622 23.742
272 H LEU 40 HN LEU 40 32.994 5.603 27.435
273 HA LEU 40 HA LEU 40 30.396 6.585 27.821
274 HB2 LEU 40 HB2 LEU 40 29.907 4.368 28.785
275 HB3 LEU 40 HB1 LEU 40 30.861 4.233 27.307
276 HG LEU 40 HG LEU 40 32.806 4.460 29.255
277 HD11 LEU 40 HD11 LEU 40 31.093 4.220 31.023
278 HD12 LEU 40 HD12 LEU 40 32.180 2.832 30.998
279 HD13 LEU 40 HD13 LEU 40 30.565 2.699 30.301
280 HD21 LEU 40 HD21 LEU 40 33.042 1.968 28.896
281 HD22 LEU 40 HD22 LEU 40 32.919 2.906 27.407
282 HD23 LEU 40 HD23 LEU 40 31.520 2.016 28.006
283 H LEU 41 HN LEU 41 33.087 6.254 30.019
284 HA LEU 41 HA LEU 41 31.416 6.780 32.350
285 HB2 LEU 41 HB2 LEU 41 33.117 5.941 33.589
286 HB3 LEU 41 HB1 LEU 41 33.665 5.287 32.053
287 HG LEU 41 HG LEU 41 34.613 7.857 33.371
288 HD11 LEU 41 HD11 LEU 41 36.795 6.642 33.321
289 HD12 LEU 41 HD12 LEU 41 35.943 5.212 32.738
290 HD13 LEU 41 HD13 LEU 41 35.587 5.860 34.340
291 HD21 LEU 41 HD21 LEU 41 36.264 7.207 31.193
292 HD22 LEU 41 HD22 LEU 41 35.136 8.557 31.277
293 HD23 LEU 41 HD23 LEU 41 34.625 7.023 30.575
294 H GLY 42 HN GLY 42 32.830 8.586 29.954
295 HA2 GLY 42 HA2 GLY 42 33.367 10.890 31.718
296 HA3 GLY 42 HA1 GLY 42 33.922 10.725 30.055
297 H THR 43 HN THR 43 31.178 9.654 29.336
298 HA THR 43 HA THR 43 29.939 12.286 28.936
299 HB THR 43 HB THR 43 30.250 11.021 26.909
300 HG1 THR 43 HG1 THR 43 28.224 12.111 27.228
301 HG21 THR 43 HG21 THR 43 30.276 8.778 26.991
302 HG22 THR 43 HG22 THR 43 28.535 8.787 27.268
303 HG23 THR 43 HG23 THR 43 29.646 8.810 28.637
304 H THR 44 HN THR 44 27.715 9.855 28.486
305 HA THR 44 HA THR 44 25.783 10.698 30.197
306 HB THR 44 HB THR 44 24.994 8.272 30.241
307 HG1 THR 44 HG1 THR 44 26.236 7.001 28.675
308 HG21 THR 44 HG21 THR 44 23.960 9.209 28.459
309 HG22 THR 44 HG22 THR 44 25.185 8.388 27.491
310 HG23 THR 44 HG23 THR 44 25.417 10.072 27.963
311 H GLY 45 HN GLY 45 27.028 7.570 31.135
312 HA2 GLY 45 HA2 GLY 45 28.519 7.981 33.361
313 HA3 GLY 45 HA1 GLY 45 26.882 8.295 33.932
314 H ASN 46 HN ASN 46 25.921 6.297 31.836
315 HA ASN 46 HA ASN 46 25.113 4.135 32.039
316 HB2 ASN 46 HB2 ASN 46 26.849 2.472 31.770
317 HB3 ASN 46 HB1 ASN 46 27.293 3.906 30.845
318 HD21 ASN 46 HD21 ASN 46 28.941 5.377 31.858
319 HD22 ASN 46 HD22 ASN 46 30.053 4.732 32.967
320 H GLY 47 HN GLY 47 24.402 5.090 34.309
321 HA2 GLY 47 HA2 GLY 47 24.893 2.963 36.216
322 HA3 GLY 47 HA1 GLY 47 25.467 4.547 36.732
323 H LEU 48 HN LEU 48 23.681 6.328 36.147
324 HA LEU 48 HA LEU 48 20.995 5.345 36.790
325 HB2 LEU 48 HB2 LEU 48 22.402 5.987 38.904
326 HB3 LEU 48 HB1 LEU 48 22.078 7.642 38.386
327 HG LEU 48 HG LEU 48 19.596 6.706 38.156
328 HD11 LEU 48 HD11 LEU 48 20.586 4.403 38.912
329 HD12 LEU 48 HD12 LEU 48 19.051 4.939 39.596
330 HD13 LEU 48 HD13 LEU 48 20.540 5.110 40.527
331 HD21 LEU 48 HD21 LEU 48 19.409 7.278 40.728
332 HD22 LEU 48 HD22 LEU 48 19.881 8.532 39.581
333 HD23 LEU 48 HD23 LEU 48 21.108 7.715 40.548
334 H VAL 49 HN VAL 49 22.891 7.120 34.861
335 HA VAL 49 HA VAL 49 21.407 9.564 34.635
336 HB VAL 49 HB VAL 49 23.134 8.373 32.473
337 HG11 VAL 49 HG11 VAL 49 21.816 10.509 32.130
338 HG12 VAL 49 HG12 VAL 49 23.560 10.683 31.935
339 HG13 VAL 49 HG13 VAL 49 22.778 11.229 33.419
340 HG21 VAL 49 HG21 VAL 49 24.528 8.122 34.373
341 HG22 VAL 49 HG22 VAL 49 23.926 9.603 35.115
342 HG23 VAL 49 HG23 VAL 49 24.987 9.690 33.710
343 H LEU 50 HN LEU 50 21.245 6.387 33.167
344 HA LEU 50 HA LEU 50 19.503 7.110 31.018
345 HB2 LEU 50 HB2 LEU 50 19.638 4.362 32.236
346 HB3 LEU 50 HB1 LEU 50 19.381 4.813 30.550
347 HG LEU 50 HG LEU 50 21.949 5.065 32.137
348 HD11 LEU 50 HD11 LEU 50 21.228 3.523 29.625
349 HD12 LEU 50 HD12 LEU 50 21.439 2.821 31.229
350 HD13 LEU 50 HD13 LEU 50 22.813 3.548 30.396
351 HD21 LEU 50 HD21 LEU 50 21.080 6.233 29.500
352 HD22 LEU 50 HD22 LEU 50 22.775 5.829 29.775
353 HD23 LEU 50 HD23 LEU 50 21.968 7.007 30.812
354 H TRP 51 HN TRP 51 19.027 5.924 34.312
355 HA TRP 51 HA TRP 51 16.374 5.233 34.328
356 HB2 TRP 51 HB2 TRP 51 16.930 5.044 36.492
357 HB3 TRP 51 HB1 TRP 51 18.304 6.129 36.281
358 HD1 TRP 51 HD1 TRP 51 17.782 8.796 36.469
359 HE1 TRP 51 HE1 TRP 51 16.019 10.040 37.879
360 HE3 TRP 51 HE3 TRP 51 14.604 4.937 37.510
361 HZ2 TRP 51 HZ2 TRP 51 13.581 9.473 39.265
362 HZ3 TRP 51 HZ3 TRP 51 12.571 5.316 38.876
363 HH2 TRP 51 HH2 TRP 51 12.056 7.577 39.753
364 H THR 52 HN THR 52 17.722 8.334 33.704
365 HA THR 52 HA THR 52 15.259 9.779 34.269
366 HB THR 52 HB THR 52 17.924 10.627 33.120
367 HG1 THR 52 HG1 THR 52 16.663 11.485 35.486
368 HG21 THR 52 HG21 THR 52 15.292 11.991 33.223
369 HG22 THR 52 HG22 THR 52 16.657 12.253 32.136
370 HG23 THR 52 HG23 THR 52 16.677 12.942 33.759
371 H VAL 53 HN VAL 53 17.317 9.372 31.375
372 HA VAL 53 HA VAL 53 15.585 10.390 29.479
373 HB VAL 53 HB VAL 53 17.393 7.993 29.098
374 HG11 VAL 53 HG11 VAL 53 17.549 9.027 26.775
375 HG12 VAL 53 HG12 VAL 53 16.192 10.055 27.236
376 HG13 VAL 53 HG13 VAL 53 15.991 8.304 27.177
377 HG21 VAL 53 HG21 VAL 53 18.561 10.432 28.202
378 HG22 VAL 53 HG22 VAL 53 19.119 9.383 29.505
379 HG23 VAL 53 HG23 VAL 53 17.996 10.698 29.852
380 H PHE 54 HN PHE 54 15.768 7.052 30.696
381 HA PHE 54 HA PHE 54 13.789 5.933 29.055
382 HB2 PHE 54 HB2 PHE 54 14.642 4.174 30.166
383 HB3 PHE 54 HB1 PHE 54 15.216 5.195 31.485
384 HD1 PHE 54 HD2 PHE 54 12.066 3.732 30.080
385 HD2 PHE 54 HD1 PHE 54 14.155 5.103 33.574
386 HE1 PHE 54 HE2 PHE 54 10.200 2.938 31.507
387 HE2 PHE 54 HE1 PHE 54 12.288 4.309 35.000
388 HZ PHE 54 HZ PHE 54 10.310 3.227 33.967
389 H ARG 55 HN ARG 55 13.557 7.773 32.048
390 HA ARG 55 HA ARG 55 10.721 7.301 32.352
391 HB2 ARG 55 HB2 ARG 55 12.815 8.301 33.975
392 HB3 ARG 55 HB1 ARG 55 11.628 9.596 33.818
393 HG2 ARG 55 HG2 ARG 55 9.835 7.953 34.424
394 HG3 ARG 55 HG1 ARG 55 11.093 6.753 34.723
395 HD2 ARG 55 HD2 ARG 55 11.024 7.570 36.848
396 HD3 ARG 55 HD1 ARG 55 12.042 8.844 36.184
397 HE ARG 55 HE ARG 55 9.328 9.529 35.780
398 HH11 ARG 55 HH21 ARG 55 11.692 9.122 38.275
399 HH12 ARG 55 HH22 ARG 55 10.975 10.289 39.336
400 HH21 ARG 55 HH11 ARG 55 8.382 11.060 37.166
401 HH22 ARG 55 HH12 ARG 55 9.101 11.386 38.708
402 H LYS 56 HN LYS 56 12.803 9.908 31.171
403 HA LYS 56 HA LYS 56 11.060 11.995 30.874
404 HB2 LYS 56 HB2 LYS 56 13.282 11.005 29.103
405 HB3 LYS 56 HB1 LYS 56 12.353 12.443 28.676
406 HG2 LYS 56 HG2 LYS 56 13.424 12.225 31.462
407 HG3 LYS 56 HG1 LYS 56 14.546 12.635 30.163
408 HD2 LYS 56 HD2 LYS 56 11.935 14.094 30.291
409 HD3 LYS 56 HD1 LYS 56 13.196 14.532 31.444
410 HE2 LYS 56 HE2 LYS 56 14.716 15.132 29.726
411 HE3 LYS 56 HE1 LYS 56 13.768 14.307 28.488
412 HZ1 LYS 56 HZ1 LYS 56 12.110 16.176 29.722
413 HZ2 LYS 56 HZ2 LYS 56 12.693 16.189 28.126
414 HZ3 LYS 56 HZ3 LYS 56 13.564 16.968 29.359
415 H LYS 57 HN LYS 57 10.855 8.920 29.385
416 HA LYS 57 HA LYS 57 9.077 9.861 27.258
417 HB2 LYS 57 HB2 LYS 57 9.502 6.956 27.712
418 HB3 LYS 57 HB1 LYS 57 9.463 7.868 26.204
419 HG2 LYS 57 HG2 LYS 57 11.738 7.803 28.209
420 HG3 LYS 57 HG1 LYS 57 11.736 7.084 26.600
421 HD2 LYS 57 HD2 LYS 57 11.045 9.656 26.005
422 HD3 LYS 57 HD1 LYS 57 12.100 9.908 27.397
423 HE2 LYS 57 HE2 LYS 57 13.821 8.468 26.294
424 HE3 LYS 57 HE1 LYS 57 12.780 8.369 24.874
425 HZ1 LYS 57 HZ1 LYS 57 14.632 10.293 25.342
426 HZ2 LYS 57 HZ2 LYS 57 13.184 11.056 25.797
427 HZ3 LYS 57 HZ3 LYS 57 13.353 10.409 24.235
428 H GLY 58 HN GLY 58 8.146 10.298 29.876
429 HA2 GLY 58 HA2 GLY 58 6.289 8.192 30.588
430 HA3 GLY 58 HA1 GLY 58 6.431 9.771 31.358
431 H HIS 59 HN HIS 59 5.899 11.599 29.572
432 HA HIS 59 HA HIS 59 3.452 10.819 28.127
433 HB2 HIS 59 HB2 HIS 59 3.664 12.618 30.442
434 HB3 HIS 59 HB1 HIS 59 2.805 13.309 29.064
435 HD2 HIS 59 HD2 HIS 59 2.596 9.739 30.861
436 HE1 HIS 59 HE1 HIS 59 -1.293 11.058 29.882
437 HE2 HIS 59 HE2 HIS 59 0.046 9.184 30.950
438 H HIS 60 HN HIS 60 4.749 14.029 28.815
439 HA HIS 60 HA HIS 60 5.674 14.253 26.042
440 HB2 HIS 60 HB2 HIS 60 3.390 15.172 26.125
441 HB3 HIS 60 HB1 HIS 60 3.883 16.263 27.420
442 HD2 HIS 60 HD2 HIS 60 4.234 18.721 26.215
443 HE1 HIS 60 HE1 HIS 60 6.222 17.406 22.731
444 HE2 HIS 60 HE2 HIS 60 5.412 19.449 24.002
445 H HIS 61 HN HIS 61 6.929 16.337 25.729
446 HA HIS 61 HA HIS 61 8.953 16.493 27.760
447 HB2 HIS 61 HB2 HIS 61 8.628 17.323 25.010
448 HB3 HIS 61 HB1 HIS 61 9.301 18.635 25.978
449 HD2 HIS 61 HD2 HIS 61 10.153 14.752 25.554
450 HE1 HIS 61 HE1 HIS 61 13.718 16.910 26.239
451 HE2 HIS 61 HE2 HIS 61 12.752 14.608 25.771
452 H HIS 62 HN HIS 62 8.718 17.613 29.579
453 HA HIS 62 HA HIS 62 6.748 19.355 30.306
454 HB2 HIS 62 HB2 HIS 62 8.272 20.231 32.004
455 HB3 HIS 62 HB1 HIS 62 8.480 18.487 31.846
456 HD2 HIS 62 HD2 HIS 62 10.533 21.753 31.311
457 HE1 HIS 62 HE1 HIS 62 12.964 18.519 30.102
458 HE2 HIS 62 HE2 HIS 62 12.929 21.013 30.579
459 H HIS 63 HN HIS 63 9.796 20.193 28.686
460 HA HIS 63 HA HIS 63 9.717 22.926 28.677
461 HB2 HIS 63 HB2 HIS 63 11.109 20.973 27.262
462 HB3 HIS 63 HB1 HIS 63 10.321 21.935 26.010
463 HD2 HIS 63 HD2 HIS 63 13.251 22.252 28.528
464 HE1 HIS 63 HE1 HIS 63 12.744 26.041 26.738
465 HE2 HIS 63 HE2 HIS 63 14.255 24.642 28.224
466 H HIS 64 HN HIS 64 9.099 24.413 26.862
467 HA HIS 64 HA HIS 64 6.369 24.573 26.516
468 HB2 HIS 64 HB2 HIS 64 8.022 26.394 26.045
469 HB3 HIS 64 HB1 HIS 64 8.420 25.579 24.533
470 HD2 HIS 64 HD2 HIS 64 6.659 28.555 24.824
471 HE1 HIS 64 HE1 HIS 64 3.667 26.229 22.964
472 HE2 HIS 64 HE2 HIS 64 4.404 28.597 23.508
Start of MODEL 18
1 H1 MET 1 HT1 MET 1 42.146 -47.593 14.562
2 H2 MET 1 HT2 MET 1 40.972 -48.404 15.486
3 H3 MET 1 HT3 MET 1 42.556 -48.236 16.077
4 HA MET 1 HA MET 1 40.360 -46.486 16.365
5 HB2 MET 1 HB2 MET 1 43.240 -46.318 17.308
6 HB3 MET 1 HB1 MET 1 41.871 -45.440 17.993
7 HG2 MET 1 HG2 MET 1 42.072 -48.462 17.871
8 HG3 MET 1 HG1 MET 1 42.458 -47.494 19.294
9 HE1 MET 1 HE1 MET 1 39.560 -49.787 18.342
10 HE2 MET 1 HE2 MET 1 39.227 -49.402 20.029
11 HE3 MET 1 HE3 MET 1 40.886 -49.676 19.506
12 H GLU 2 HN GLU 2 41.804 -44.062 16.795
13 HA GLU 2 HA GLU 2 42.668 -43.277 14.092
14 HB2 GLU 2 HB2 GLU 2 40.693 -41.663 15.715
15 HB3 GLU 2 HB1 GLU 2 41.226 -41.359 14.061
16 HG2 GLU 2 HG2 GLU 2 39.215 -42.440 13.655
17 HG3 GLU 2 HG1 GLU 2 40.319 -43.815 13.662
18 H GLU 3 HN GLU 3 44.778 -43.291 15.093
19 HA GLU 3 HA GLU 3 45.241 -41.172 17.081
20 HB2 GLU 3 HB2 GLU 3 46.976 -43.455 16.117
21 HB3 GLU 3 HB1 GLU 3 47.521 -42.213 17.246
22 HG2 GLU 3 HG2 GLU 3 46.419 -43.161 18.972
23 HG3 GLU 3 HG1 GLU 3 44.947 -43.352 18.022
24 H GLY 4 HN GLY 4 44.598 -40.288 14.519
25 HA2 GLY 4 HA2 GLY 4 46.254 -38.295 13.902
26 HA3 GLY 4 HA1 GLY 4 47.091 -39.647 13.142
27 H GLY 5 HN GLY 5 45.034 -41.157 12.162
28 HA2 GLY 5 HA2 GLY 5 43.506 -41.339 10.446
29 HA3 GLY 5 HA1 GLY 5 43.050 -39.668 10.761
30 H ASP 6 HN ASP 6 44.774 -41.790 8.711
31 HA ASP 6 HA ASP 6 45.484 -39.538 6.970
32 HB2 ASP 6 HB2 ASP 6 47.494 -40.150 8.361
33 HB3 ASP 6 HB1 ASP 6 47.452 -41.742 7.607
34 H PHE 7 HN PHE 7 43.760 -40.253 5.651
35 HA PHE 7 HA PHE 7 44.471 -42.553 3.971
36 HB2 PHE 7 HB2 PHE 7 41.702 -42.163 5.132
37 HB3 PHE 7 HB1 PHE 7 42.215 -43.455 4.046
38 HD1 PHE 7 HD1 PHE 7 44.193 -44.944 4.835
39 HD2 PHE 7 HD2 PHE 7 41.893 -42.438 7.458
40 HE1 PHE 7 HE1 PHE 7 44.954 -46.282 6.780
41 HE2 PHE 7 HE2 PHE 7 42.654 -43.776 9.403
42 HZ PHE 7 HZ PHE 7 44.185 -45.697 9.064
43 H ASP 8 HN ASP 8 44.863 -39.933 3.285
44 HA ASP 8 HA ASP 8 44.339 -38.307 1.741
45 HB2 ASP 8 HB2 ASP 8 44.524 -40.591 0.442
46 HB3 ASP 8 HB1 ASP 8 42.792 -40.359 0.206
47 H ASN 9 HN ASN 9 42.559 -38.422 3.919
48 HA ASN 9 HA ASN 9 40.126 -37.385 2.626
49 HB2 ASN 9 HB2 ASN 9 39.892 -39.800 3.545
50 HB3 ASN 9 HB1 ASN 9 39.931 -39.034 5.133
51 HD21 ASN 9 HD21 ASN 9 37.681 -40.308 3.304
52 HD22 ASN 9 HD22 ASN 9 36.428 -39.171 3.431
53 H TYR 10 HN TYR 10 42.224 -35.837 3.549
54 HA TYR 10 HA TYR 10 42.094 -34.998 6.218
55 HB2 TYR 10 HB2 TYR 10 42.696 -33.260 3.814
56 HB3 TYR 10 HB1 TYR 10 43.211 -32.983 5.478
57 HD1 TYR 10 HD1 TYR 10 44.628 -34.850 6.600
58 HD2 TYR 10 HD2 TYR 10 44.053 -34.508 2.358
59 HE1 TYR 10 HE1 TYR 10 46.639 -36.250 6.216
60 HE2 TYR 10 HE2 TYR 10 46.064 -35.908 1.973
61 HH TYR 10 HH TYR 10 47.326 -37.868 3.857
62 H TYR 11 HN TYR 11 40.003 -34.800 6.979
63 HA TYR 11 HA TYR 11 37.843 -33.561 5.742
64 HB2 TYR 11 HB2 TYR 11 36.780 -33.892 7.715
65 HB3 TYR 11 HB1 TYR 11 38.243 -34.772 8.154
66 HD1 TYR 11 HD1 TYR 11 40.168 -33.435 9.233
67 HD2 TYR 11 HD2 TYR 11 36.148 -31.959 8.908
68 HE1 TYR 11 HE1 TYR 11 40.630 -31.782 11.023
69 HE2 TYR 11 HE2 TYR 11 36.610 -30.306 10.698
70 HH TYR 11 HH TYR 11 38.100 -29.894 12.477
71 H GLY 12 HN GLY 12 36.831 -31.496 6.970
72 HA2 GLY 12 HA2 GLY 12 38.037 -29.347 7.954
73 HA3 GLY 12 HA1 GLY 12 38.658 -29.311 6.307
74 H ALA 13 HN ALA 13 36.141 -28.365 8.329
75 HA ALA 13 HA ALA 13 33.985 -28.306 6.453
76 HB1 ALA 13 HB1 ALA 13 33.192 -26.466 8.175
77 HB2 ALA 13 HB2 ALA 13 34.519 -27.111 9.142
78 HB3 ALA 13 HB3 ALA 13 33.207 -28.171 8.626
79 H ASP 14 HN ASP 14 35.384 -27.422 4.669
80 HA ASP 14 HA ASP 14 36.484 -24.887 4.582
81 HB2 ASP 14 HB2 ASP 14 36.838 -26.222 2.684
82 HB3 ASP 14 HB1 ASP 14 35.119 -26.568 2.495
83 H ASN 15 HN ASN 15 35.206 -23.490 5.870
84 HA ASN 15 HA ASN 15 33.070 -22.194 4.372
85 HB2 ASN 15 HB2 ASN 15 32.620 -23.391 7.112
86 HB3 ASN 15 HB1 ASN 15 31.532 -22.241 6.339
87 HD21 ASN 15 HD21 ASN 15 31.479 -25.356 6.983
88 HD22 ASN 15 HD22 ASN 15 30.857 -26.003 5.542
89 H GLN 16 HN GLN 16 35.135 -22.326 7.227
90 HA GLN 16 HA GLN 16 34.659 -19.691 8.150
91 HB2 GLN 16 HB2 GLN 16 36.847 -19.979 9.330
92 HB3 GLN 16 HB1 GLN 16 35.723 -21.313 9.596
93 HG2 GLN 16 HG2 GLN 16 37.302 -21.799 7.223
94 HG3 GLN 16 HG1 GLN 16 38.356 -21.485 8.601
95 HE21 GLN 16 HE21 GLN 16 36.938 -24.008 7.027
96 HE22 GLN 16 HE22 GLN 16 36.723 -25.080 8.326
97 H SER 17 HN SER 17 34.630 -18.801 5.847
98 HA SER 17 HA SER 17 37.333 -18.147 4.884
99 HB2 SER 17 HB2 SER 17 35.255 -19.029 3.447
100 HB3 SER 17 HB1 SER 17 34.903 -17.305 3.388
101 HG SER 17 HG SER 17 36.393 -17.229 1.917
102 H GLU 18 HN GLU 18 36.531 -16.901 7.256
103 HA GLU 18 HA GLU 18 36.767 -14.130 6.479
104 HB2 GLU 18 HB2 GLU 18 34.170 -15.225 7.104
105 HB3 GLU 18 HB1 GLU 18 34.629 -14.014 8.301
106 HG2 GLU 18 HG2 GLU 18 35.124 -12.406 6.512
107 HG3 GLU 18 HG1 GLU 18 34.716 -13.615 5.296
108 H CYS 19 HN CYS 19 38.626 -14.001 7.676
109 HA CYS 19 HA CYS 19 38.363 -13.588 10.487
110 HB2 CYS 19 HB2 CYS 19 38.871 -16.264 9.680
111 HB3 CYS 19 HB1 CYS 19 40.364 -15.629 10.370
112 HG CYS 19 HG CYS 19 38.446 -16.602 12.156
113 H GLU 20 HN GLU 20 40.074 -12.429 11.296
114 HA GLU 20 HA GLU 20 42.009 -11.189 11.298
115 HB2 GLU 20 HB2 GLU 20 42.750 -13.662 10.273
116 HB3 GLU 20 HB1 GLU 20 43.366 -12.514 9.084
117 HG2 GLU 20 HG2 GLU 20 44.457 -11.231 10.900
118 HG3 GLU 20 HG1 GLU 20 43.869 -12.409 12.072
119 H TYR 21 HN TYR 21 39.778 -11.159 9.013
120 HA TYR 21 HA TYR 21 41.210 -9.365 7.163
121 HB2 TYR 21 HB2 TYR 21 40.074 -10.923 5.860
122 HB3 TYR 21 HB1 TYR 21 38.702 -10.998 6.965
123 HD1 TYR 21 HD2 TYR 21 40.317 -9.072 4.270
124 HD2 TYR 21 HD1 TYR 21 36.954 -9.299 6.932
125 HE1 TYR 21 HE2 TYR 21 39.139 -7.351 2.929
126 HE2 TYR 21 HE1 TYR 21 35.775 -7.579 5.590
127 HH TYR 21 HH TYR 21 35.902 -6.184 3.872
128 H THR 22 HN THR 22 38.896 -9.423 9.711
129 HA THR 22 HA THR 22 37.854 -6.766 9.042
130 HB THR 22 HB THR 22 37.169 -8.619 11.338
131 HG1 THR 22 HG1 THR 22 35.656 -8.020 9.028
132 HG21 THR 22 HG21 THR 22 35.092 -7.095 11.329
133 HG22 THR 22 HG22 THR 22 36.069 -5.981 10.372
134 HG23 THR 22 HG23 THR 22 36.579 -6.424 12.001
135 H ASP 23 HN ASP 23 40.011 -8.370 11.284
136 HA ASP 23 HA ASP 23 40.373 -5.885 12.807
137 HB2 ASP 23 HB2 ASP 23 41.714 -7.290 14.338
138 HB3 ASP 23 HB1 ASP 23 40.079 -7.912 14.124
139 H TRP 24 HN TRP 24 41.303 -6.223 10.036
140 HA TRP 24 HA TRP 24 44.034 -6.728 9.825
141 HB2 TRP 24 HB2 TRP 24 43.967 -5.230 7.837
142 HB3 TRP 24 HB1 TRP 24 42.693 -6.442 7.847
143 HD1 TRP 24 HD1 TRP 24 41.655 -3.934 10.285
144 HE1 TRP 24 HE1 TRP 24 40.015 -2.250 9.254
145 HE3 TRP 24 HE3 TRP 24 42.337 -4.965 5.328
146 HZ2 TRP 24 HZ2 TRP 24 39.106 -1.434 6.668
147 HZ3 TRP 24 HZ3 TRP 24 41.069 -3.717 3.604
148 HH2 TRP 24 HH2 TRP 24 39.455 -1.954 4.266
149 H LYS 25 HN LYS 25 43.730 -3.540 8.852
150 HA LYS 25 HA LYS 25 45.844 -2.595 10.432
151 HB2 LYS 25 HB2 LYS 25 44.884 -1.679 8.217
152 HB3 LYS 25 HB1 LYS 25 43.734 -0.809 9.227
153 HG2 LYS 25 HG2 LYS 25 45.563 0.308 10.409
154 HG3 LYS 25 HG1 LYS 25 46.752 -0.647 9.525
155 HD2 LYS 25 HD2 LYS 25 46.525 1.595 8.530
156 HD3 LYS 25 HD1 LYS 25 45.981 0.352 7.404
157 HE2 LYS 25 HE2 LYS 25 43.740 0.922 7.640
158 HE3 LYS 25 HE1 LYS 25 43.976 1.594 9.253
159 HZ1 LYS 25 HZ1 LYS 25 43.680 3.117 7.140
160 HZ2 LYS 25 HZ2 LYS 25 45.360 2.893 7.035
161 HZ3 LYS 25 HZ3 LYS 25 44.677 3.571 8.435
162 H SER 26 HN SER 26 43.860 -0.071 10.854
163 HA SER 26 HA SER 26 42.866 0.902 12.679
164 HB2 SER 26 HB2 SER 26 42.074 -1.859 13.582
165 HB3 SER 26 HB1 SER 26 41.216 -0.339 13.815
166 HG SER 26 HG SER 26 40.596 -1.932 12.026
167 H SER 27 HN SER 27 45.642 0.069 12.830
168 HA SER 27 HA SER 27 47.343 -0.116 14.361
169 HB2 SER 27 HB2 SER 27 45.736 1.804 15.295
170 HB3 SER 27 HB1 SER 27 45.534 0.642 16.602
171 HG SER 27 HG SER 27 47.471 2.298 16.373
172 H GLY 28 HN GLY 28 45.558 -2.413 13.890
173 HA2 GLY 28 HA2 GLY 28 45.739 -4.619 14.655
174 HA3 GLY 28 HA1 GLY 28 46.418 -4.017 16.164
175 H ALA 29 HN ALA 29 43.681 -2.267 15.320
176 HA ALA 29 HA ALA 29 41.603 -2.100 16.291
177 HB1 ALA 29 HB1 ALA 29 41.105 -3.944 14.790
178 HB2 ALA 29 HB2 ALA 29 40.291 -4.217 16.331
179 HB3 ALA 29 HB3 ALA 29 41.767 -5.102 15.944
180 H LEU 30 HN LEU 30 43.396 -1.701 18.176
181 HA LEU 30 HA LEU 30 42.356 -3.211 20.492
182 HB2 LEU 30 HB2 LEU 30 45.198 -2.708 19.704
183 HB3 LEU 30 HB1 LEU 30 44.782 -2.737 21.417
184 HG LEU 30 HG LEU 30 43.759 -4.933 19.656
185 HD11 LEU 30 HD11 LEU 30 46.112 -4.845 19.054
186 HD12 LEU 30 HD12 LEU 30 45.863 -6.205 20.148
187 HD13 LEU 30 HD13 LEU 30 46.578 -4.710 20.749
188 HD21 LEU 30 HD21 LEU 30 44.912 -5.234 22.406
189 HD22 LEU 30 HD22 LEU 30 43.558 -6.087 21.662
190 HD23 LEU 30 HD23 LEU 30 43.350 -4.431 22.234
191 H ILE 31 HN ILE 31 43.535 -0.241 19.103
192 HA ILE 31 HA ILE 31 43.334 1.231 21.588
193 HB ILE 31 HB ILE 31 44.441 1.674 18.937
194 HG12 ILE 31 HG12 ILE 31 45.611 1.622 21.177
195 HG13 ILE 31 HG11 ILE 31 46.008 3.007 20.165
196 HG21 ILE 31 HG21 ILE 31 42.633 3.251 18.579
197 HG22 ILE 31 HG22 ILE 31 44.099 4.155 18.944
198 HG23 ILE 31 HG23 ILE 31 42.865 3.955 20.183
199 HD11 ILE 31 HD11 ILE 31 45.134 4.475 21.650
200 HD12 ILE 31 HD12 ILE 31 45.172 3.140 22.799
201 HD13 ILE 31 HD13 ILE 31 43.693 3.493 21.910
202 HA PRO 32 HA PRO 32 39.513 2.956 19.020
203 HB2 PRO 32 HB2 PRO 32 38.617 0.369 17.865
204 HB3 PRO 32 HB1 PRO 32 38.631 1.986 17.138
205 HG2 PRO 32 HG2 PRO 32 40.376 0.108 16.407
206 HG3 PRO 32 HG1 PRO 32 40.821 1.823 16.482
207 HD2 PRO 32 HD2 PRO 32 41.497 -0.386 18.387
208 HD3 PRO 32 HD1 PRO 32 42.473 1.016 17.892
209 H ALA 33 HN ALA 33 39.688 -0.310 20.358
210 HA ALA 33 HA ALA 33 37.056 -0.390 21.428
211 HB1 ALA 33 HB1 ALA 33 38.072 -2.190 22.925
212 HB2 ALA 33 HB2 ALA 33 39.591 -1.894 22.078
213 HB3 ALA 33 HB3 ALA 33 38.181 -2.468 21.187
214 H ILE 34 HN ILE 34 40.072 0.973 22.529
215 HA ILE 34 HA ILE 34 39.160 1.368 25.251
216 HB ILE 34 HB ILE 34 41.590 2.383 23.760
217 HG12 ILE 34 HG12 ILE 34 41.401 0.322 25.971
218 HG13 ILE 34 HG11 ILE 34 41.337 -0.113 24.262
219 HG21 ILE 34 HG21 ILE 34 42.326 2.734 26.253
220 HG22 ILE 34 HG22 ILE 34 40.592 2.789 26.568
221 HG23 ILE 34 HG23 ILE 34 41.325 3.958 25.471
222 HD11 ILE 34 HD11 ILE 34 43.652 -0.089 25.530
223 HD12 ILE 34 HD12 ILE 34 43.563 1.647 25.233
224 HD13 ILE 34 HD13 ILE 34 43.544 0.518 23.878
225 H TYR 35 HN TYR 35 39.055 3.062 22.243
226 HA TYR 35 HA TYR 35 38.870 5.721 23.094
227 HB2 TYR 35 HB2 TYR 35 38.725 4.440 20.680
228 HB3 TYR 35 HB1 TYR 35 37.062 4.984 20.895
229 HD1 TYR 35 HD2 TYR 35 36.555 7.394 21.218
230 HD2 TYR 35 HD1 TYR 35 40.527 6.009 20.348
231 HE1 TYR 35 HE2 TYR 35 37.228 9.704 20.614
232 HE2 TYR 35 HE1 TYR 35 41.201 8.319 19.745
233 HH TYR 35 HH TYR 35 38.983 10.793 19.190
234 H MET 36 HN MET 36 36.486 3.140 23.054
235 HA MET 36 HA MET 36 34.255 4.840 23.682
236 HB2 MET 36 HB2 MET 36 34.629 1.841 23.850
237 HB3 MET 36 HB1 MET 36 33.098 2.668 24.143
238 HG2 MET 36 HG2 MET 36 34.222 3.636 21.685
239 HG3 MET 36 HG1 MET 36 34.190 1.874 21.647
240 HE1 MET 36 HE1 MET 36 30.890 4.665 20.795
241 HE2 MET 36 HE2 MET 36 32.562 4.518 20.257
242 HE3 MET 36 HE3 MET 36 32.213 5.177 21.853
243 H LEU 37 HN LEU 37 36.425 2.730 25.524
244 HA LEU 37 HA LEU 37 35.145 2.877 28.007
245 HB2 LEU 37 HB2 LEU 37 38.136 2.776 27.560
246 HB3 LEU 37 HB1 LEU 37 37.245 2.188 28.965
247 HG LEU 37 HG LEU 37 36.999 1.116 26.137
248 HD11 LEU 37 HD11 LEU 37 39.108 0.571 27.472
249 HD12 LEU 37 HD12 LEU 37 38.162 -0.817 26.931
250 HD13 LEU 37 HD13 LEU 37 38.057 -0.277 28.607
251 HD21 LEU 37 HD21 LEU 37 35.742 -0.717 27.557
252 HD22 LEU 37 HD22 LEU 37 34.886 0.744 27.063
253 HD23 LEU 37 HD23 LEU 37 35.519 0.606 28.703
254 H VAL 38 HN VAL 38 36.311 5.391 26.208
255 HA VAL 38 HA VAL 38 36.741 7.075 28.604
256 HB VAL 38 HB VAL 38 37.957 7.372 25.847
257 HG11 VAL 38 HG11 VAL 38 37.761 9.156 28.229
258 HG12 VAL 38 HG12 VAL 38 37.838 9.573 26.517
259 HG13 VAL 38 HG13 VAL 38 39.305 9.112 27.380
260 HG21 VAL 38 HG21 VAL 38 39.221 6.757 28.537
261 HG22 VAL 38 HG22 VAL 38 40.068 6.900 26.997
262 HG23 VAL 38 HG23 VAL 38 38.940 5.571 27.262
263 H PHE 39 HN PHE 39 34.646 6.343 26.166
264 HA PHE 39 HA PHE 39 33.620 9.110 25.966
265 HB2 PHE 39 HB2 PHE 39 34.283 7.824 23.845
266 HB3 PHE 39 HB1 PHE 39 32.858 6.829 24.150
267 HD1 PHE 39 HD2 PHE 39 33.928 10.405 23.843
268 HD2 PHE 39 HD1 PHE 39 30.748 7.549 23.419
269 HE1 PHE 39 HE2 PHE 39 32.488 12.157 22.837
270 HE2 PHE 39 HE1 PHE 39 29.309 9.300 22.413
271 HZ PHE 39 HZ PHE 39 30.180 11.604 22.122
272 H LEU 40 HN LEU 40 33.181 6.612 27.891
273 HA LEU 40 HA LEU 40 30.334 7.184 28.233
274 HB2 LEU 40 HB2 LEU 40 29.768 4.778 28.404
275 HB3 LEU 40 HB1 LEU 40 30.297 5.229 26.784
276 HG LEU 40 HG LEU 40 32.675 4.549 28.006
277 HD11 LEU 40 HD11 LEU 40 31.335 3.709 29.964
278 HD12 LEU 40 HD12 LEU 40 32.317 2.465 29.191
279 HD13 LEU 40 HD13 LEU 40 30.582 2.538 28.880
280 HD21 LEU 40 HD21 LEU 40 31.923 3.898 25.750
281 HD22 LEU 40 HD22 LEU 40 30.775 2.761 26.457
282 HD23 LEU 40 HD23 LEU 40 32.509 2.493 26.640
283 H LEU 41 HN LEU 41 33.316 5.744 29.417
284 HA LEU 41 HA LEU 41 32.721 4.827 31.897
285 HB2 LEU 41 HB2 LEU 41 35.038 6.139 30.683
286 HB3 LEU 41 HB1 LEU 41 34.951 6.363 32.430
287 HG LEU 41 HG LEU 41 34.715 3.939 32.745
288 HD11 LEU 41 HD11 LEU 41 35.427 2.799 30.332
289 HD12 LEU 41 HD12 LEU 41 34.295 4.061 29.845
290 HD13 LEU 41 HD13 LEU 41 33.796 2.826 31.001
291 HD21 LEU 41 HD21 LEU 41 37.021 5.268 31.592
292 HD22 LEU 41 HD22 LEU 41 37.010 3.559 31.160
293 HD23 LEU 41 HD23 LEU 41 36.967 4.040 32.856
294 H GLY 42 HN GLY 42 32.912 8.229 30.937
295 HA2 GLY 42 HA2 GLY 42 31.013 9.137 32.775
296 HA3 GLY 42 HA1 GLY 42 32.596 9.346 33.519
297 H THR 43 HN THR 43 31.438 9.726 30.166
298 HA THR 43 HA THR 43 32.719 12.379 30.108
299 HB THR 43 HB THR 43 33.175 10.446 28.389
300 HG1 THR 43 HG1 THR 43 32.906 12.429 26.765
301 HG21 THR 43 HG21 THR 43 31.672 10.257 26.594
302 HG22 THR 43 HG22 THR 43 30.844 11.758 27.009
303 HG23 THR 43 HG23 THR 43 30.608 10.317 27.999
304 H THR 44 HN THR 44 29.694 10.875 30.316
305 HA THR 44 HA THR 44 28.358 13.434 29.725
306 HB THR 44 HB THR 44 26.442 11.875 28.831
307 HG1 THR 44 HG1 THR 44 28.798 10.334 28.596
308 HG21 THR 44 HG21 THR 44 27.841 11.881 26.546
309 HG22 THR 44 HG22 THR 44 28.881 12.944 27.494
310 HG23 THR 44 HG23 THR 44 27.187 13.363 27.244
311 H GLY 45 HN GLY 45 28.156 10.220 31.205
312 HA2 GLY 45 HA2 GLY 45 27.419 10.903 33.727
313 HA3 GLY 45 HA1 GLY 45 25.891 10.926 32.853
314 H ASN 46 HN ASN 46 25.792 8.878 31.268
315 HA ASN 46 HA ASN 46 25.318 6.626 31.241
316 HB2 ASN 46 HB2 ASN 46 28.097 6.993 31.590
317 HB3 ASN 46 HB1 ASN 46 27.631 5.667 32.654
318 HD21 ASN 46 HD21 ASN 46 26.748 6.746 29.313
319 HD22 ASN 46 HD22 ASN 46 26.866 5.194 28.636
320 H GLY 47 HN GLY 47 23.609 6.245 32.560
321 HA2 GLY 47 HA2 GLY 47 23.553 4.620 34.664
322 HA3 GLY 47 HA1 GLY 47 23.975 6.135 35.457
323 H LEU 48 HN LEU 48 22.507 8.035 34.474
324 HA LEU 48 HA LEU 48 19.723 7.115 34.251
325 HB2 LEU 48 HB2 LEU 48 20.455 7.720 36.679
326 HB3 LEU 48 HB1 LEU 48 20.383 9.386 36.101
327 HG LEU 48 HG LEU 48 18.035 8.562 35.137
328 HD11 LEU 48 HD11 LEU 48 18.242 6.942 37.678
329 HD12 LEU 48 HD12 LEU 48 18.576 6.229 36.100
330 HD13 LEU 48 HD13 LEU 48 16.979 6.892 36.448
331 HD21 LEU 48 HD21 LEU 48 17.034 9.328 37.352
332 HD22 LEU 48 HD22 LEU 48 18.208 10.432 36.635
333 HD23 LEU 48 HD23 LEU 48 18.681 9.392 37.978
334 H VAL 49 HN VAL 49 22.232 9.163 33.324
335 HA VAL 49 HA VAL 49 20.725 11.444 32.488
336 HB VAL 49 HB VAL 49 23.413 10.442 31.518
337 HG11 VAL 49 HG11 VAL 49 23.650 12.976 31.066
338 HG12 VAL 49 HG12 VAL 49 21.892 13.030 31.198
339 HG13 VAL 49 HG13 VAL 49 22.653 12.045 29.948
340 HG21 VAL 49 HG21 VAL 49 23.739 10.823 33.802
341 HG22 VAL 49 HG22 VAL 49 22.514 12.091 33.867
342 HG23 VAL 49 HG23 VAL 49 24.082 12.417 33.129
343 H LEU 50 HN LEU 50 20.975 8.283 31.306
344 HA LEU 50 HA LEU 50 20.388 9.032 28.534
345 HB2 LEU 50 HB2 LEU 50 20.495 6.220 29.605
346 HB3 LEU 50 HB1 LEU 50 20.812 6.791 27.966
347 HG LEU 50 HG LEU 50 22.531 7.254 30.418
348 HD11 LEU 50 HD11 LEU 50 24.086 5.821 29.409
349 HD12 LEU 50 HD12 LEU 50 23.382 6.026 27.806
350 HD13 LEU 50 HD13 LEU 50 22.553 5.044 29.013
351 HD21 LEU 50 HD21 LEU 50 22.513 8.510 27.683
352 HD22 LEU 50 HD22 LEU 50 24.039 8.302 28.543
353 HD23 LEU 50 HD23 LEU 50 22.751 9.277 29.252
354 H TRP 51 HN TRP 51 18.849 7.747 31.398
355 HA TRP 51 HA TRP 51 16.490 6.756 30.167
356 HB2 TRP 51 HB2 TRP 51 16.256 6.005 32.265
357 HB3 TRP 51 HB1 TRP 51 17.508 7.106 32.842
358 HD1 TRP 51 HD1 TRP 51 16.693 9.637 33.466
359 HE1 TRP 51 HE1 TRP 51 14.439 10.454 34.415
360 HE3 TRP 51 HE3 TRP 51 13.751 5.616 32.344
361 HZ2 TRP 51 HZ2 TRP 51 11.745 9.525 34.665
362 HZ3 TRP 51 HZ3 TRP 51 11.348 5.608 32.948
363 HH2 TRP 51 HH2 TRP 51 10.342 7.556 34.106
364 H THR 52 HN THR 52 17.660 9.881 30.451
365 HA THR 52 HA THR 52 14.994 11.112 30.558
366 HB THR 52 HB THR 52 17.124 11.937 31.846
367 HG1 THR 52 HG1 THR 52 16.054 14.097 30.578
368 HG21 THR 52 HG21 THR 52 17.510 13.492 29.298
369 HG22 THR 52 HG22 THR 52 18.370 11.975 29.561
370 HG23 THR 52 HG23 THR 52 18.607 13.325 30.670
371 H VAL 53 HN VAL 53 17.581 10.355 28.371
372 HA VAL 53 HA VAL 53 16.813 12.193 26.301
373 HB VAL 53 HB VAL 53 18.600 9.763 26.368
374 HG11 VAL 53 HG11 VAL 53 17.716 11.483 24.052
375 HG12 VAL 53 HG12 VAL 53 17.802 9.724 24.143
376 HG13 VAL 53 HG13 VAL 53 19.284 10.675 24.041
377 HG21 VAL 53 HG21 VAL 53 19.442 11.799 27.460
378 HG22 VAL 53 HG22 VAL 53 19.090 12.738 26.009
379 HG23 VAL 53 HG23 VAL 53 20.339 11.493 25.974
380 H PHE 54 HN PHE 54 16.389 8.688 26.797
381 HA PHE 54 HA PHE 54 14.840 8.284 24.444
382 HB2 PHE 54 HB2 PHE 54 14.922 6.110 25.045
383 HB3 PHE 54 HB1 PHE 54 16.019 6.645 26.319
384 HD1 PHE 54 HD1 PHE 54 14.934 7.468 28.536
385 HD2 PHE 54 HD2 PHE 54 12.883 5.090 25.606
386 HE1 PHE 54 HE1 PHE 54 13.281 6.780 30.251
387 HE2 PHE 54 HE2 PHE 54 11.229 4.402 27.321
388 HZ PHE 54 HZ PHE 54 11.428 5.247 29.644
389 H ARG 55 HN ARG 55 14.131 9.722 27.442
390 HA ARG 55 HA ARG 55 11.307 9.092 27.460
391 HB2 ARG 55 HB2 ARG 55 12.738 9.562 29.517
392 HB3 ARG 55 HB1 ARG 55 12.698 11.257 29.037
393 HG2 ARG 55 HG2 ARG 55 10.846 11.187 30.421
394 HG3 ARG 55 HG1 ARG 55 10.093 10.807 28.874
395 HD2 ARG 55 HD2 ARG 55 10.785 8.318 29.611
396 HD3 ARG 55 HD1 ARG 55 10.621 9.036 31.210
397 HE ARG 55 HE ARG 55 8.492 8.564 29.285
398 HH11 ARG 55 HH21 ARG 55 9.578 10.183 32.143
399 HH12 ARG 55 HH22 ARG 55 7.983 10.460 32.758
400 HH21 ARG 55 HH11 ARG 55 6.397 8.921 30.088
401 HH22 ARG 55 HH12 ARG 55 6.182 9.745 31.595
402 H LYS 56 HN LYS 56 12.971 12.249 27.423
403 HA LYS 56 HA LYS 56 10.948 13.857 26.581
404 HB2 LYS 56 HB2 LYS 56 12.681 15.268 25.469
405 HB3 LYS 56 HB1 LYS 56 13.136 14.760 27.096
406 HG2 LYS 56 HG2 LYS 56 14.391 12.833 26.052
407 HG3 LYS 56 HG1 LYS 56 14.082 13.567 24.478
408 HD2 LYS 56 HD2 LYS 56 15.060 15.720 25.774
409 HD3 LYS 56 HD1 LYS 56 15.911 14.448 26.651
410 HE2 LYS 56 HE2 LYS 56 17.321 15.006 24.808
411 HE3 LYS 56 HE1 LYS 56 16.539 13.490 24.363
412 HZ1 LYS 56 HZ1 LYS 56 15.118 14.553 22.903
413 HZ2 LYS 56 HZ2 LYS 56 16.572 15.401 22.673
414 HZ3 LYS 56 HZ3 LYS 56 15.332 16.075 23.619
415 H LYS 57 HN LYS 57 12.926 11.745 24.545
416 HA LYS 57 HA LYS 57 11.565 12.582 22.121
417 HB2 LYS 57 HB2 LYS 57 13.720 10.581 22.760
418 HB3 LYS 57 HB1 LYS 57 12.930 10.587 21.183
419 HG2 LYS 57 HG2 LYS 57 13.910 12.549 20.550
420 HG3 LYS 57 HG1 LYS 57 13.817 13.236 22.171
421 HD2 LYS 57 HD2 LYS 57 16.164 12.807 21.479
422 HD3 LYS 57 HD1 LYS 57 15.708 11.857 22.895
423 HE2 LYS 57 HE2 LYS 57 15.784 9.871 21.757
424 HE3 LYS 57 HE1 LYS 57 15.207 10.592 20.254
425 HZ1 LYS 57 HZ1 LYS 57 17.890 10.166 21.156
426 HZ2 LYS 57 HZ2 LYS 57 17.625 11.769 20.661
427 HZ3 LYS 57 HZ3 LYS 57 17.314 10.485 19.594
428 H GLY 58 HN GLY 58 9.573 11.842 23.676
429 HA2 GLY 58 HA2 GLY 58 8.961 9.009 23.258
430 HA3 GLY 58 HA1 GLY 58 8.022 10.148 24.218
431 H HIS 59 HN HIS 59 9.039 9.649 20.831
432 HA HIS 59 HA HIS 59 6.827 11.103 19.749
433 HB2 HIS 59 HB2 HIS 59 8.954 9.313 18.614
434 HB3 HIS 59 HB1 HIS 59 7.590 9.810 17.613
435 HD2 HIS 59 HD2 HIS 59 11.001 11.089 18.115
436 HE1 HIS 59 HE1 HIS 59 8.698 14.617 17.836
437 HE2 HIS 59 HE2 HIS 59 11.056 13.677 17.772
438 H HIS 60 HN HIS 60 7.626 7.622 19.595
439 HA HIS 60 HA HIS 60 6.255 5.810 19.147
440 HB2 HIS 60 HB2 HIS 60 5.968 6.213 21.585
441 HB3 HIS 60 HB1 HIS 60 4.566 7.220 21.228
442 HD2 HIS 60 HD2 HIS 60 5.598 3.408 20.751
443 HE1 HIS 60 HE1 HIS 60 1.387 3.713 20.717
444 HE2 HIS 60 HE2 HIS 60 3.343 2.095 20.660
445 H HIS 61 HN HIS 61 5.871 7.838 17.251
446 HA HIS 61 HA HIS 61 2.989 8.167 16.917
447 HB2 HIS 61 HB2 HIS 61 5.383 9.472 15.918
448 HB3 HIS 61 HB1 HIS 61 4.263 9.086 14.612
449 HD2 HIS 61 HD2 HIS 61 4.304 11.253 17.916
450 HE1 HIS 61 HE1 HIS 61 0.896 12.310 15.658
451 HE2 HIS 61 HE2 HIS 61 2.275 12.883 17.713
452 H HIS 62 HN HIS 62 1.772 6.788 15.805
453 HA HIS 62 HA HIS 62 2.641 4.392 14.718
454 HB2 HIS 62 HB2 HIS 62 0.368 4.360 14.989
455 HB3 HIS 62 HB1 HIS 62 0.174 6.035 14.472
456 HD2 HIS 62 HD2 HIS 62 -0.824 6.221 11.909
457 HE1 HIS 62 HE1 HIS 62 0.340 2.407 10.523
458 HE2 HIS 62 HE2 HIS 62 -0.892 4.541 9.911
459 H HIS 63 HN HIS 63 2.250 7.539 13.158
460 HA HIS 63 HA HIS 63 2.448 6.979 10.501
461 HB2 HIS 63 HB2 HIS 63 2.829 9.241 12.082
462 HB3 HIS 63 HB1 HIS 63 4.344 9.071 11.196
463 HD2 HIS 63 HD2 HIS 63 0.557 9.799 10.457
464 HE1 HIS 63 HE1 HIS 63 2.694 10.171 6.834
465 HE2 HIS 63 HE2 HIS 63 0.437 10.515 7.950
466 H HIS 64 HN HIS 64 4.243 6.892 9.000
467 HA HIS 64 HA HIS 64 6.091 5.745 8.229
468 HB2 HIS 64 HB2 HIS 64 7.160 7.307 10.580
469 HB3 HIS 64 HB1 HIS 64 8.207 6.385 9.500
470 HD2 HIS 64 HD2 HIS 64 8.140 7.331 6.731
471 HE1 HIS 64 HE1 HIS 64 6.504 11.087 7.751
472 HE2 HIS 64 HE2 HIS 64 7.616 9.750 5.900
Start of MODEL 19
1 H1 MET 1 HT1 MET 1 38.785 17.923 8.431
2 H2 MET 1 HT2 MET 1 38.510 17.868 6.755
3 H3 MET 1 HT3 MET 1 37.599 18.916 7.735
4 HA MET 1 HA MET 1 40.303 19.209 6.699
5 HB2 MET 1 HB2 MET 1 37.915 20.945 7.306
6 HB3 MET 1 HB1 MET 1 39.495 21.663 6.983
7 HG2 MET 1 HG2 MET 1 39.601 20.489 4.824
8 HG3 MET 1 HG1 MET 1 38.037 19.739 5.146
9 HE1 MET 1 HE1 MET 1 36.210 20.954 3.255
10 HE2 MET 1 HE2 MET 1 37.858 20.480 2.853
11 HE3 MET 1 HE3 MET 1 37.242 22.041 2.316
12 H GLU 2 HN GLU 2 39.243 18.379 9.616
13 HA GLU 2 HA GLU 2 39.848 18.801 11.806
14 HB2 GLU 2 HB2 GLU 2 42.504 19.434 10.503
15 HB3 GLU 2 HB1 GLU 2 42.237 18.857 12.147
16 HG2 GLU 2 HG2 GLU 2 40.906 17.023 10.471
17 HG3 GLU 2 HG1 GLU 2 42.464 17.328 9.704
18 H GLU 3 HN GLU 3 38.431 20.778 11.652
19 HA GLU 3 HA GLU 3 39.991 23.280 11.794
20 HB2 GLU 3 HB2 GLU 3 37.703 22.741 10.387
21 HB3 GLU 3 HB1 GLU 3 37.059 23.464 11.861
22 HG2 GLU 3 HG2 GLU 3 38.793 25.314 11.547
23 HG3 GLU 3 HG1 GLU 3 39.059 24.656 9.932
24 H GLY 4 HN GLY 4 38.010 24.723 13.209
25 HA2 GLY 4 HA2 GLY 4 38.385 23.593 15.914
26 HA3 GLY 4 HA1 GLY 4 38.254 25.311 15.548
27 H GLY 5 HN GLY 5 36.166 23.398 13.718
28 HA2 GLY 5 HA2 GLY 5 33.852 23.472 13.595
29 HA3 GLY 5 HA1 GLY 5 33.997 22.730 15.186
30 H ASP 6 HN ASP 6 32.097 23.746 15.928
31 HA ASP 6 HA ASP 6 30.798 25.434 16.806
32 HB2 ASP 6 HB2 ASP 6 32.884 25.267 18.317
33 HB3 ASP 6 HB1 ASP 6 33.394 26.765 17.540
34 H PHE 7 HN PHE 7 29.804 26.476 15.136
35 HA PHE 7 HA PHE 7 29.426 28.033 13.473
36 HB2 PHE 7 HB2 PHE 7 29.733 29.287 15.826
37 HB3 PHE 7 HB1 PHE 7 31.064 30.031 14.939
38 HD1 PHE 7 HD1 PHE 7 27.444 29.140 14.523
39 HD2 PHE 7 HD2 PHE 7 30.621 31.865 13.553
40 HE1 PHE 7 HE1 PHE 7 25.831 30.597 13.329
41 HE2 PHE 7 HE2 PHE 7 29.008 33.321 12.360
42 HZ PHE 7 HZ PHE 7 26.613 32.687 12.247
43 H ASP 8 HN ASP 8 31.003 30.274 12.736
44 HA ASP 8 HA ASP 8 32.655 30.844 11.255
45 HB2 ASP 8 HB2 ASP 8 33.963 30.024 13.359
46 HB3 ASP 8 HB1 ASP 8 34.359 28.635 12.348
47 H ASN 9 HN ASN 9 30.803 29.429 10.035
48 HA ASN 9 HA ASN 9 30.351 28.078 8.238
49 HB2 ASN 9 HB2 ASN 9 32.392 29.484 7.469
50 HB3 ASN 9 HB1 ASN 9 33.298 27.986 7.672
51 HD21 ASN 9 HD21 ASN 9 33.617 27.480 5.440
52 HD22 ASN 9 HD22 ASN 9 32.334 27.164 4.374
53 H TYR 10 HN TYR 10 30.362 26.674 10.519
54 HA TYR 10 HA TYR 10 32.052 24.621 11.048
55 HB2 TYR 10 HB2 TYR 10 29.766 25.131 12.095
56 HB3 TYR 10 HB1 TYR 10 29.087 24.121 10.818
57 HD1 TYR 10 HD2 TYR 10 29.615 21.720 10.689
58 HD2 TYR 10 HD1 TYR 10 31.124 24.180 13.870
59 HE1 TYR 10 HE2 TYR 10 30.213 19.686 11.977
60 HE2 TYR 10 HE1 TYR 10 31.724 22.146 15.158
61 HH TYR 10 HH TYR 10 31.909 19.920 15.093
62 H TYR 11 HN TYR 11 30.088 24.999 8.199
63 HA TYR 11 HA TYR 11 29.801 22.511 7.148
64 HB2 TYR 11 HB2 TYR 11 30.342 25.178 5.988
65 HB3 TYR 11 HB1 TYR 11 30.668 23.805 4.930
66 HD1 TYR 11 HD2 TYR 11 28.096 24.251 7.614
67 HD2 TYR 11 HD1 TYR 11 28.866 23.671 3.428
68 HE1 TYR 11 HE2 TYR 11 25.665 23.988 7.202
69 HE2 TYR 11 HE1 TYR 11 26.436 23.408 3.017
70 HH TYR 11 HH TYR 11 24.193 22.926 5.511
71 H GLY 12 HN GLY 12 31.081 20.854 6.629
72 HA2 GLY 12 HA2 GLY 12 33.876 21.330 5.884
73 HA3 GLY 12 HA1 GLY 12 33.578 20.317 7.294
74 H ALA 13 HN ALA 13 32.034 20.598 4.086
75 HA ALA 13 HA ALA 13 31.354 18.965 2.609
76 HB1 ALA 13 HB1 ALA 13 33.925 17.558 3.292
77 HB2 ALA 13 HB2 ALA 13 33.928 19.087 2.411
78 HB3 ALA 13 HB3 ALA 13 33.113 17.679 1.730
79 H ASP 14 HN ASP 14 30.220 18.585 5.098
80 HA ASP 14 HA ASP 14 30.614 15.977 6.159
81 HB2 ASP 14 HB2 ASP 14 28.217 16.428 7.065
82 HB3 ASP 14 HB1 ASP 14 29.544 17.442 7.628
83 H ASN 15 HN ASN 15 30.699 14.952 3.939
84 HA ASN 15 HA ASN 15 27.990 14.025 3.196
85 HB2 ASN 15 HB2 ASN 15 30.285 14.781 1.384
86 HB3 ASN 15 HB1 ASN 15 28.921 13.804 0.844
87 HD21 ASN 15 HD21 ASN 15 26.779 14.843 0.786
88 HD22 ASN 15 HD22 ASN 15 26.639 16.534 0.801
89 H GLN 16 HN GLN 16 31.035 13.238 4.330
90 HA GLN 16 HA GLN 16 31.317 10.653 3.084
91 HB2 GLN 16 HB2 GLN 16 33.142 10.334 4.703
92 HB3 GLN 16 HB1 GLN 16 33.282 11.889 3.883
93 HG2 GLN 16 HG2 GLN 16 31.909 12.810 5.897
94 HG3 GLN 16 HG1 GLN 16 32.398 11.320 6.704
95 HE21 GLN 16 HE21 GLN 16 33.657 14.312 5.230
96 HE22 GLN 16 HE22 GLN 16 35.186 14.222 5.963
97 H SER 17 HN SER 17 28.826 11.415 4.654
98 HA SER 17 HA SER 17 28.633 10.043 7.065
99 HB2 SER 17 HB2 SER 17 26.891 11.510 5.778
100 HB3 SER 17 HB1 SER 17 26.377 9.974 5.087
101 HG SER 17 HG SER 17 25.229 10.059 6.907
102 H GLU 18 HN GLU 18 26.816 8.078 6.994
103 HA GLU 18 HA GLU 18 26.818 5.764 6.925
104 HB2 GLU 18 HB2 GLU 18 25.770 6.647 4.720
105 HB3 GLU 18 HB1 GLU 18 27.264 6.086 3.970
106 HG2 GLU 18 HG2 GLU 18 26.862 3.846 5.087
107 HG3 GLU 18 HG1 GLU 18 25.265 4.440 5.537
108 H CYS 19 HN CYS 19 28.732 5.223 7.986
109 HA CYS 19 HA CYS 19 30.650 3.794 6.446
110 HB2 CYS 19 HB2 CYS 19 31.294 6.291 6.149
111 HB3 CYS 19 HB1 CYS 19 31.844 6.187 7.822
112 HG CYS 19 HG CYS 19 33.831 4.924 7.062
113 H GLU 20 HN GLU 20 29.039 3.069 8.551
114 HA GLU 20 HA GLU 20 31.047 2.419 10.592
115 HB2 GLU 20 HB2 GLU 20 28.973 2.741 12.234
116 HB3 GLU 20 HB1 GLU 20 30.067 4.071 11.853
117 HG2 GLU 20 HG2 GLU 20 28.561 5.045 10.338
118 HG3 GLU 20 HG1 GLU 20 27.654 3.548 10.131
119 H TYR 21 HN TYR 21 27.886 1.819 9.145
120 HA TYR 21 HA TYR 21 27.419 -0.652 10.501
121 HB2 TYR 21 HB2 TYR 21 25.566 0.621 9.590
122 HB3 TYR 21 HB1 TYR 21 26.244 0.506 7.967
123 HD1 TYR 21 HD2 TYR 21 25.264 -1.706 10.831
124 HD2 TYR 21 HD1 TYR 21 25.489 -1.205 6.573
125 HE1 TYR 21 HE2 TYR 21 24.116 -3.885 10.514
126 HE2 TYR 21 HE1 TYR 21 24.342 -3.382 6.254
127 HH TYR 21 HH TYR 21 22.992 -4.929 7.386
128 H THR 22 HN THR 22 29.876 -1.096 9.867
129 HA THR 22 HA THR 22 29.808 -3.319 8.074
130 HB THR 22 HB THR 22 31.334 -0.857 7.191
131 HG1 THR 22 HG1 THR 22 29.958 -1.504 5.261
132 HG21 THR 22 HG21 THR 22 31.705 -2.532 5.178
133 HG22 THR 22 HG22 THR 22 31.473 -3.750 6.432
134 HG23 THR 22 HG23 THR 22 32.774 -2.569 6.580
135 H ASP 23 HN ASP 23 31.656 -1.003 9.962
136 HA ASP 23 HA ASP 23 33.971 -2.723 10.189
137 HB2 ASP 23 HB2 ASP 23 34.995 -0.907 11.063
138 HB3 ASP 23 HB1 ASP 23 33.576 -0.029 10.492
139 H TRP 24 HN TRP 24 30.949 -2.403 11.753
140 HA TRP 24 HA TRP 24 31.563 -3.193 14.379
141 HB2 TRP 24 HB2 TRP 24 29.261 -3.619 14.639
142 HB3 TRP 24 HB1 TRP 24 29.326 -2.361 13.404
143 HD1 TRP 24 HD1 TRP 24 29.988 -3.950 10.855
144 HE1 TRP 24 HE1 TRP 24 28.326 -5.655 9.866
145 HE3 TRP 24 HE3 TRP 24 27.166 -4.937 14.995
146 HZ2 TRP 24 HZ2 TRP 24 26.095 -7.229 10.717
147 HZ3 TRP 24 HZ3 TRP 24 25.281 -6.542 14.878
148 HH2 TRP 24 HH2 TRP 24 24.742 -7.687 12.747
149 H LYS 25 HN LYS 25 31.709 -5.179 15.378
150 HA LYS 25 HA LYS 25 32.534 -7.342 15.495
151 HB2 LYS 25 HB2 LYS 25 29.997 -7.508 15.238
152 HB3 LYS 25 HB1 LYS 25 30.300 -7.927 13.552
153 HG2 LYS 25 HG2 LYS 25 32.071 -9.566 14.881
154 HG3 LYS 25 HG1 LYS 25 30.691 -9.540 15.979
155 HD2 LYS 25 HD2 LYS 25 30.601 -10.213 13.023
156 HD3 LYS 25 HD1 LYS 25 30.430 -11.358 14.355
157 HE2 LYS 25 HE2 LYS 25 28.208 -10.967 14.223
158 HE3 LYS 25 HE1 LYS 25 28.554 -9.399 14.952
159 HZ1 LYS 25 HZ1 LYS 25 28.001 -10.076 12.167
160 HZ2 LYS 25 HZ2 LYS 25 29.127 -8.836 12.452
161 HZ3 LYS 25 HZ3 LYS 25 27.547 -8.708 13.061
162 H SER 26 HN SER 26 34.244 -6.137 13.911
163 HA SER 26 HA SER 26 34.972 -8.183 12.001
164 HB2 SER 26 HB2 SER 26 34.646 -7.071 10.040
165 HB3 SER 26 HB1 SER 26 33.381 -6.263 10.959
166 HG SER 26 HG SER 26 35.806 -5.326 10.048
167 H SER 27 HN SER 27 35.985 -6.841 14.457
168 HA SER 27 HA SER 27 38.027 -6.217 15.307
169 HB2 SER 27 HB2 SER 27 39.287 -6.561 12.609
170 HB3 SER 27 HB1 SER 27 39.946 -6.925 14.202
171 HG SER 27 HG SER 27 37.684 -8.268 13.165
172 H GLY 28 HN GLY 28 36.356 -4.565 13.020
173 HA2 GLY 28 HA2 GLY 28 38.118 -2.511 12.207
174 HA3 GLY 28 HA1 GLY 28 36.361 -2.390 12.268
175 H ALA 29 HN ALA 29 37.361 -3.331 15.269
176 HA ALA 29 HA ALA 29 37.779 -0.577 16.240
177 HB1 ALA 29 HB1 ALA 29 35.349 -1.436 16.446
178 HB2 ALA 29 HB2 ALA 29 36.110 -0.748 17.880
179 HB3 ALA 29 HB3 ALA 29 35.986 -2.497 17.702
180 H LEU 30 HN LEU 30 39.975 -1.838 16.064
181 HA LEU 30 HA LEU 30 40.508 -3.662 18.245
182 HB2 LEU 30 HB2 LEU 30 42.130 -2.412 16.053
183 HB3 LEU 30 HB1 LEU 30 42.939 -3.195 17.411
184 HG LEU 30 HG LEU 30 40.699 -4.647 16.055
185 HD11 LEU 30 HD11 LEU 30 43.538 -4.450 15.001
186 HD12 LEU 30 HD12 LEU 30 42.087 -3.866 14.187
187 HD13 LEU 30 HD13 LEU 30 42.325 -5.597 14.434
188 HD21 LEU 30 HD21 LEU 30 41.697 -6.517 16.995
189 HD22 LEU 30 HD22 LEU 30 42.196 -5.291 18.162
190 HD23 LEU 30 HD23 LEU 30 43.318 -5.824 16.909
191 H ILE 31 HN ILE 31 41.699 -0.409 17.366
192 HA ILE 31 HA ILE 31 42.636 -0.020 20.097
193 HB ILE 31 HB ILE 31 43.275 1.073 17.480
194 HG12 ILE 31 HG12 ILE 31 44.770 -0.129 19.124
195 HG13 ILE 31 HG11 ILE 31 45.428 1.376 18.490
196 HG21 ILE 31 HG21 ILE 31 42.124 3.091 18.177
197 HG22 ILE 31 HG22 ILE 31 43.858 3.363 18.307
198 HG23 ILE 31 HG23 ILE 31 42.912 3.052 19.758
199 HD11 ILE 31 HD11 ILE 31 45.230 0.715 21.172
200 HD12 ILE 31 HD12 ILE 31 43.840 1.769 20.930
201 HD13 ILE 31 HD13 ILE 31 45.459 2.343 20.536
202 HA PRO 32 HA PRO 32 39.265 3.498 19.488
203 HB2 PRO 32 HB2 PRO 32 37.283 1.916 17.948
204 HB3 PRO 32 HB1 PRO 32 37.760 3.613 17.764
205 HG2 PRO 32 HG2 PRO 32 38.507 1.742 16.013
206 HG3 PRO 32 HG1 PRO 32 39.556 3.106 16.438
207 HD2 PRO 32 HD2 PRO 32 39.731 0.248 17.312
208 HD3 PRO 32 HD1 PRO 32 41.036 1.405 16.967
209 H ALA 33 HN ALA 33 39.022 0.132 20.076
210 HA ALA 33 HA ALA 33 36.558 0.099 21.522
211 HB1 ALA 33 HB1 ALA 33 37.813 -2.032 22.528
212 HB2 ALA 33 HB2 ALA 33 38.847 -1.764 21.124
213 HB3 ALA 33 HB3 ALA 33 37.119 -2.039 20.907
214 H ILE 34 HN ILE 34 39.909 0.732 22.358
215 HA ILE 34 HA ILE 34 39.359 0.759 25.213
216 HB ILE 34 HB ILE 34 41.808 1.293 23.538
217 HG12 ILE 34 HG12 ILE 34 41.611 -0.618 25.836
218 HG13 ILE 34 HG11 ILE 34 40.810 -1.048 24.324
219 HG21 ILE 34 HG21 ILE 34 42.152 2.868 25.234
220 HG22 ILE 34 HG22 ILE 34 42.882 1.420 25.929
221 HG23 ILE 34 HG23 ILE 34 41.265 1.919 26.429
222 HD11 ILE 34 HD11 ILE 34 43.652 -0.070 24.283
223 HD12 ILE 34 HD12 ILE 34 42.816 -1.102 23.123
224 HD13 ILE 34 HD13 ILE 34 43.309 -1.751 24.686
225 H TYR 35 HN TYR 35 39.599 3.009 22.561
226 HA TYR 35 HA TYR 35 39.945 5.383 24.089
227 HB2 TYR 35 HB2 TYR 35 39.866 4.738 21.388
228 HB3 TYR 35 HB1 TYR 35 38.436 5.741 21.623
229 HD1 TYR 35 HD1 TYR 35 39.102 7.660 23.617
230 HD2 TYR 35 HD2 TYR 35 41.632 6.024 20.555
231 HE1 TYR 35 HE1 TYR 35 40.529 9.685 23.714
232 HE2 TYR 35 HE2 TYR 35 43.059 8.050 20.652
233 HH TYR 35 HH TYR 35 43.148 10.119 23.081
234 H MET 36 HN MET 36 37.112 3.597 22.960
235 HA MET 36 HA MET 36 35.208 5.558 23.818
236 HB2 MET 36 HB2 MET 36 34.899 2.617 23.173
237 HB3 MET 36 HB1 MET 36 33.558 3.724 23.469
238 HG2 MET 36 HG2 MET 36 33.827 4.808 21.465
239 HG3 MET 36 HG1 MET 36 35.577 4.584 21.460
240 HE1 MET 36 HE1 MET 36 34.246 4.216 18.729
241 HE2 MET 36 HE2 MET 36 35.098 2.749 18.252
242 HE3 MET 36 HE3 MET 36 35.933 3.974 19.203
243 H LEU 37 HN LEU 37 36.871 2.898 25.325
244 HA LEU 37 HA LEU 37 35.102 2.612 27.558
245 HB2 LEU 37 HB2 LEU 37 37.683 1.509 26.685
246 HB3 LEU 37 HB1 LEU 37 37.543 1.687 28.433
247 HG LEU 37 HG LEU 37 36.733 -0.533 27.562
248 HD11 LEU 37 HD11 LEU 37 35.481 1.242 29.417
249 HD12 LEU 37 HD12 LEU 37 35.481 -0.520 29.428
250 HD13 LEU 37 HD13 LEU 37 34.211 0.356 28.576
251 HD21 LEU 37 HD21 LEU 37 35.121 -0.694 25.964
252 HD22 LEU 37 HD22 LEU 37 35.584 0.962 25.573
253 HD23 LEU 37 HD23 LEU 37 34.200 0.658 26.623
254 H VAL 38 HN VAL 38 36.488 5.293 26.739
255 HA VAL 38 HA VAL 38 37.103 6.073 29.515
256 HB VAL 38 HB VAL 38 38.720 6.911 27.096
257 HG11 VAL 38 HG11 VAL 38 38.818 7.590 30.040
258 HG12 VAL 38 HG12 VAL 38 38.725 8.697 28.670
259 HG13 VAL 38 HG13 VAL 38 40.214 7.805 28.984
260 HG21 VAL 38 HG21 VAL 38 39.008 4.750 29.119
261 HG22 VAL 38 HG22 VAL 38 40.465 5.670 28.746
262 HG23 VAL 38 HG23 VAL 38 39.603 4.823 27.462
263 H PHE 39 HN PHE 39 35.526 6.646 26.568
264 HA PHE 39 HA PHE 39 35.126 9.499 27.040
265 HB2 PHE 39 HB2 PHE 39 34.754 7.640 24.803
266 HB3 PHE 39 HB1 PHE 39 33.430 8.790 24.990
267 HD1 PHE 39 HD1 PHE 39 34.049 11.284 25.286
268 HD2 PHE 39 HD2 PHE 39 36.783 8.313 23.817
269 HE1 PHE 39 HE1 PHE 39 35.459 13.069 24.298
270 HE2 PHE 39 HE2 PHE 39 38.192 10.100 22.830
271 HZ PHE 39 HZ PHE 39 37.530 12.477 23.070
272 H LEU 40 HN LEU 40 32.904 6.773 26.407
273 HA LEU 40 HA LEU 40 30.590 7.991 27.367
274 HB2 LEU 40 HB2 LEU 40 29.695 5.705 27.616
275 HB3 LEU 40 HB1 LEU 40 30.559 5.899 26.090
276 HG LEU 40 HG LEU 40 32.566 5.112 27.815
277 HD11 LEU 40 HD11 LEU 40 31.774 3.317 29.165
278 HD12 LEU 40 HD12 LEU 40 30.186 3.343 28.399
279 HD13 LEU 40 HD13 LEU 40 30.667 4.654 29.478
280 HD21 LEU 40 HD21 LEU 40 32.392 2.942 26.629
281 HD22 LEU 40 HD22 LEU 40 32.180 4.298 25.521
282 HD23 LEU 40 HD23 LEU 40 30.777 3.384 26.074
283 H LEU 41 HN LEU 41 33.130 6.266 29.094
284 HA LEU 41 HA LEU 41 31.917 5.863 31.559
285 HB2 LEU 41 HB2 LEU 41 34.597 5.897 30.517
286 HB3 LEU 41 HB1 LEU 41 34.564 6.704 32.086
287 HG LEU 41 HG LEU 41 33.329 3.989 31.546
288 HD11 LEU 41 HD11 LEU 41 35.605 3.517 31.397
289 HD12 LEU 41 HD12 LEU 41 35.342 3.365 33.135
290 HD13 LEU 41 HD13 LEU 41 36.054 4.839 32.476
291 HD21 LEU 41 HD21 LEU 41 34.025 4.573 34.284
292 HD22 LEU 41 HD22 LEU 41 32.439 4.204 33.606
293 HD23 LEU 41 HD23 LEU 41 33.014 5.870 33.644
294 H GLY 42 HN GLY 42 33.316 8.795 30.192
295 HA2 GLY 42 HA2 GLY 42 32.628 10.280 32.645
296 HA3 GLY 42 HA1 GLY 42 33.715 10.843 31.377
297 H THR 43 HN THR 43 31.076 9.371 29.970
298 HA THR 43 HA THR 43 29.472 11.841 29.893
299 HB THR 43 HB THR 43 30.052 10.309 27.369
300 HG1 THR 43 HG1 THR 43 31.539 12.368 28.604
301 HG21 THR 43 HG21 THR 43 29.603 13.233 27.427
302 HG22 THR 43 HG22 THR 43 28.234 12.249 27.944
303 HG23 THR 43 HG23 THR 43 28.937 12.012 26.344
304 H THR 44 HN THR 44 28.076 10.443 27.546
305 HA THR 44 HA THR 44 26.233 9.105 27.240
306 HB THR 44 HB THR 44 26.615 7.269 29.447
307 HG1 THR 44 HG1 THR 44 28.795 7.371 27.689
308 HG21 THR 44 HG21 THR 44 26.805 5.668 27.584
309 HG22 THR 44 HG22 THR 44 26.959 7.007 26.446
310 HG23 THR 44 HG23 THR 44 25.451 6.769 27.330
311 H GLY 45 HN GLY 45 26.762 10.944 29.908
312 HA2 GLY 45 HA2 GLY 45 24.409 11.839 30.604
313 HA3 GLY 45 HA1 GLY 45 24.263 10.215 31.269
314 H ASN 46 HN ASN 46 27.420 10.740 31.561
315 HA ASN 46 HA ASN 46 27.146 11.856 34.284
316 HB2 ASN 46 HB2 ASN 46 29.354 10.129 33.144
317 HB3 ASN 46 HB1 ASN 46 29.193 10.650 34.821
318 HD21 ASN 46 HD21 ASN 46 27.163 8.987 32.330
319 HD22 ASN 46 HD22 ASN 46 26.514 7.856 33.417
320 H GLY 47 HN GLY 47 27.179 14.029 33.320
321 HA2 GLY 47 HA2 GLY 47 29.594 15.345 33.612
322 HA3 GLY 47 HA1 GLY 47 29.463 14.980 31.894
323 H LEU 48 HN LEU 48 26.551 15.187 31.855
324 HA LEU 48 HA LEU 48 26.283 18.125 32.118
325 HB2 LEU 48 HB2 LEU 48 25.888 16.378 29.866
326 HB3 LEU 48 HB1 LEU 48 24.365 17.163 30.288
327 HG LEU 48 HG LEU 48 26.993 18.635 29.940
328 HD11 LEU 48 HD11 LEU 48 25.669 19.495 27.854
329 HD12 LEU 48 HD12 LEU 48 24.747 18.003 28.037
330 HD13 LEU 48 HD13 LEU 48 26.487 17.935 27.759
331 HD21 LEU 48 HD21 LEU 48 24.528 19.346 31.146
332 HD22 LEU 48 HD22 LEU 48 24.580 20.181 29.593
333 HD23 LEU 48 HD23 LEU 48 25.879 20.414 30.764
334 H VAL 49 HN VAL 49 25.025 15.047 32.975
335 HA VAL 49 HA VAL 49 22.333 15.833 33.522
336 HB VAL 49 HB VAL 49 23.985 13.535 34.597
337 HG11 VAL 49 HG11 VAL 49 21.142 14.391 34.989
338 HG12 VAL 49 HG12 VAL 49 22.248 13.627 36.130
339 HG13 VAL 49 HG13 VAL 49 21.488 12.666 34.862
340 HG21 VAL 49 HG21 VAL 49 23.629 13.541 32.137
341 HG22 VAL 49 HG22 VAL 49 21.891 13.678 32.402
342 HG23 VAL 49 HG23 VAL 49 22.750 12.226 32.917
343 H LEU 50 HN LEU 50 25.345 16.115 35.225
344 HA LEU 50 HA LEU 50 23.992 16.779 37.740
345 HB2 LEU 50 HB2 LEU 50 26.528 17.131 38.400
346 HB3 LEU 50 HB1 LEU 50 25.841 15.513 38.294
347 HG LEU 50 HG LEU 50 26.711 15.254 36.021
348 HD11 LEU 50 HD11 LEU 50 28.348 17.113 35.261
349 HD12 LEU 50 HD12 LEU 50 27.520 18.134 36.437
350 HD13 LEU 50 HD13 LEU 50 26.623 17.430 35.092
351 HD21 LEU 50 HD21 LEU 50 29.175 15.438 36.562
352 HD22 LEU 50 HD22 LEU 50 28.225 14.586 37.779
353 HD23 LEU 50 HD23 LEU 50 28.721 16.255 38.058
354 H TRP 51 HN TRP 51 24.684 18.341 34.961
355 HA TRP 51 HA TRP 51 25.672 20.826 36.124
356 HB2 TRP 51 HB2 TRP 51 26.592 20.628 34.025
357 HB3 TRP 51 HB1 TRP 51 25.191 19.780 33.373
358 HD1 TRP 51 HD1 TRP 51 23.025 21.281 32.768
359 HE1 TRP 51 HE1 TRP 51 22.849 23.753 32.054
360 HE3 TRP 51 HE3 TRP 51 27.602 22.963 34.282
361 HZ2 TRP 51 HZ2 TRP 51 24.441 26.129 32.118
362 HZ3 TRP 51 HZ3 TRP 51 28.246 25.332 33.944
363 HH2 TRP 51 HH2 TRP 51 26.673 26.915 32.864
364 H THR 52 HN THR 52 22.698 19.420 34.903
365 HA THR 52 HA THR 52 21.182 21.834 34.843
366 HB THR 52 HB THR 52 20.706 19.489 33.762
367 HG1 THR 52 HG1 THR 52 18.478 20.713 34.949
368 HG21 THR 52 HG21 THR 52 19.034 19.196 36.247
369 HG22 THR 52 HG22 THR 52 20.652 18.500 36.166
370 HG23 THR 52 HG23 THR 52 19.413 17.987 35.022
371 H VAL 53 HN VAL 53 22.377 19.933 37.374
372 HA VAL 53 HA VAL 53 20.245 20.464 39.259
373 HB VAL 53 HB VAL 53 23.005 19.266 39.522
374 HG11 VAL 53 HG11 VAL 53 22.008 18.658 41.871
375 HG12 VAL 53 HG12 VAL 53 20.994 20.076 41.606
376 HG13 VAL 53 HG13 VAL 53 22.750 20.241 41.634
377 HG21 VAL 53 HG21 VAL 53 20.184 18.172 39.763
378 HG22 VAL 53 HG22 VAL 53 21.647 17.245 40.088
379 HG23 VAL 53 HG23 VAL 53 21.325 17.841 38.460
380 H PHE 54 HN PHE 54 23.528 21.667 38.644
381 HA PHE 54 HA PHE 54 23.423 23.568 40.813
382 HB2 PHE 54 HB2 PHE 54 25.634 23.330 40.492
383 HB3 PHE 54 HB1 PHE 54 25.395 22.617 38.896
384 HD1 PHE 54 HD2 PHE 54 25.688 25.813 40.759
385 HD2 PHE 54 HD1 PHE 54 25.552 23.938 36.897
386 HE1 PHE 54 HE2 PHE 54 26.405 27.939 39.702
387 HE2 PHE 54 HE1 PHE 54 26.268 26.063 35.840
388 HZ PHE 54 HZ PHE 54 26.695 28.065 37.242
389 H ARG 55 HN ARG 55 22.207 23.459 37.653
390 HA ARG 55 HA ARG 55 22.286 26.349 37.247
391 HB2 ARG 55 HB2 ARG 55 22.641 25.038 35.270
392 HB3 ARG 55 HB1 ARG 55 21.219 24.052 35.595
393 HG2 ARG 55 HG2 ARG 55 20.893 25.822 33.818
394 HG3 ARG 55 HG1 ARG 55 19.738 25.903 35.145
395 HD2 ARG 55 HD2 ARG 55 20.834 28.113 34.387
396 HD3 ARG 55 HD1 ARG 55 20.809 27.773 36.115
397 HE ARG 55 HE ARG 55 23.132 27.502 36.056
398 HH11 ARG 55 HH21 ARG 55 21.767 27.708 32.883
399 HH12 ARG 55 HH22 ARG 55 23.296 27.876 32.087
400 HH21 ARG 55 HH11 ARG 55 25.141 27.720 35.018
401 HH22 ARG 55 HH12 ARG 55 25.206 27.883 33.295
402 H LYS 56 HN LYS 56 19.709 23.871 37.220
403 HA LYS 56 HA LYS 56 17.508 25.508 37.354
404 HB2 LYS 56 HB2 LYS 56 16.286 23.647 38.049
405 HB3 LYS 56 HB1 LYS 56 17.695 22.906 37.289
406 HG2 LYS 56 HG2 LYS 56 18.749 23.006 39.666
407 HG3 LYS 56 HG1 LYS 56 17.088 23.222 40.223
408 HD2 LYS 56 HD2 LYS 56 18.069 20.927 38.497
409 HD3 LYS 56 HD1 LYS 56 17.739 20.832 40.227
410 HE2 LYS 56 HE2 LYS 56 15.382 21.691 39.647
411 HE3 LYS 56 HE1 LYS 56 15.781 21.292 37.975
412 HZ1 LYS 56 HZ1 LYS 56 15.192 19.547 40.194
413 HZ2 LYS 56 HZ2 LYS 56 16.553 19.079 39.290
414 HZ3 LYS 56 HZ3 LYS 56 15.047 19.271 38.527
415 H LYS 57 HN LYS 57 19.819 24.803 39.863
416 HA LYS 57 HA LYS 57 18.152 26.041 41.924
417 HB2 LYS 57 HB2 LYS 57 20.812 24.622 41.953
418 HB3 LYS 57 HB1 LYS 57 20.233 25.529 43.351
419 HG2 LYS 57 HG2 LYS 57 18.248 24.158 43.505
420 HG3 LYS 57 HG1 LYS 57 18.631 23.351 41.984
421 HD2 LYS 57 HD2 LYS 57 20.500 22.226 42.923
422 HD3 LYS 57 HD1 LYS 57 20.520 23.278 44.339
423 HE2 LYS 57 HE2 LYS 57 18.506 22.309 45.200
424 HE3 LYS 57 HE1 LYS 57 18.191 21.459 43.687
425 HZ1 LYS 57 HZ1 LYS 57 19.157 19.787 44.836
426 HZ2 LYS 57 HZ2 LYS 57 20.073 20.823 45.822
427 HZ3 LYS 57 HZ3 LYS 57 20.575 20.495 44.233
428 H GLY 58 HN GLY 58 18.923 27.706 39.758
429 HA2 GLY 58 HA2 GLY 58 19.808 29.787 39.333
430 HA3 GLY 58 HA1 GLY 58 19.785 30.008 41.080
431 H HIS 59 HN HIS 59 21.633 29.202 42.308
432 HA HIS 59 HA HIS 59 24.102 28.894 40.725
433 HB2 HIS 59 HB2 HIS 59 23.394 31.090 42.548
434 HB3 HIS 59 HB1 HIS 59 24.962 30.351 42.877
435 HD2 HIS 59 HD2 HIS 59 23.188 31.603 39.514
436 HE1 HIS 59 HE1 HIS 59 27.295 32.576 39.394
437 HE2 HIS 59 HE2 HIS 59 25.097 32.727 38.131
438 H HIS 60 HN HIS 60 23.685 29.366 44.198
439 HA HIS 60 HA HIS 60 24.205 26.527 44.672
440 HB2 HIS 60 HB2 HIS 60 26.327 28.118 44.675
441 HB3 HIS 60 HB1 HIS 60 25.749 28.491 46.301
442 HD2 HIS 60 HD2 HIS 60 25.926 24.925 44.512
443 HE1 HIS 60 HE1 HIS 60 27.886 24.719 48.245
444 HE2 HIS 60 HE2 HIS 60 27.174 23.381 46.208
445 H HIS 61 HN HIS 61 24.797 27.216 47.512
446 HA HIS 61 HA HIS 61 22.003 27.561 48.361
447 HB2 HIS 61 HB2 HIS 61 24.432 26.316 49.622
448 HB3 HIS 61 HB1 HIS 61 23.044 26.778 50.606
449 HD2 HIS 61 HD2 HIS 61 23.320 24.725 47.182
450 HE1 HIS 61 HE1 HIS 61 20.553 22.830 49.747
451 HE2 HIS 61 HE2 HIS 61 21.670 22.722 47.468
452 H HIS 62 HN HIS 62 25.042 28.308 50.041
453 HA HIS 62 HA HIS 62 24.110 30.472 51.493
454 HB2 HIS 62 HB2 HIS 62 26.393 29.220 51.587
455 HB3 HIS 62 HB1 HIS 62 26.920 30.446 50.434
456 HD2 HIS 62 HD2 HIS 62 24.941 30.713 53.901
457 HE1 HIS 62 HE1 HIS 62 27.845 33.769 53.692
458 HE2 HIS 62 HE2 HIS 62 26.010 32.757 55.125
459 H HIS 63 HN HIS 63 25.777 30.526 48.342
460 HA HIS 63 HA HIS 63 25.850 33.260 47.909
461 HB2 HIS 63 HB2 HIS 63 26.706 31.254 46.455
462 HB3 HIS 63 HB1 HIS 63 25.142 31.415 45.654
463 HD2 HIS 63 HD2 HIS 63 28.312 32.524 44.546
464 HE1 HIS 63 HE1 HIS 63 26.166 36.155 44.378
465 HE2 HIS 63 HE2 HIS 63 28.264 34.957 43.600
466 H HIS 64 HN HIS 64 24.066 34.405 48.574
467 HA HIS 64 HA HIS 64 21.927 35.252 48.549
468 HB2 HIS 64 HB2 HIS 64 22.126 34.379 45.656
469 HB3 HIS 64 HB1 HIS 64 20.946 35.518 46.303
470 HD2 HIS 64 HD2 HIS 64 22.237 37.566 44.677
471 HE1 HIS 64 HE1 HIS 64 25.686 37.754 47.105
472 HE2 HIS 64 HE2 HIS 64 24.411 38.901 45.233
Start of MODEL 20
1 H1 MET 1 HT1 MET 1 42.533 2.330 42.997
2 H2 MET 1 HT2 MET 1 42.660 0.637 42.897
3 H3 MET 1 HT3 MET 1 43.853 1.625 42.198
4 HA MET 1 HA MET 1 44.263 0.496 44.495
5 HB2 MET 1 HB2 MET 1 45.620 2.574 45.116
6 HB3 MET 1 HB1 MET 1 45.925 1.902 43.515
7 HG2 MET 1 HG2 MET 1 44.465 3.558 42.489
8 HG3 MET 1 HG1 MET 1 44.007 4.181 44.074
9 HE1 MET 1 HE1 MET 1 44.588 6.466 44.090
10 HE2 MET 1 HE2 MET 1 44.820 6.401 42.345
11 HE3 MET 1 HE3 MET 1 46.011 7.218 43.355
12 H GLU 2 HN GLU 2 41.623 2.485 44.096
13 HA GLU 2 HA GLU 2 40.088 3.432 45.523
14 HB2 GLU 2 HB2 GLU 2 41.314 1.391 47.392
15 HB3 GLU 2 HB1 GLU 2 39.828 2.283 47.719
16 HG2 GLU 2 HG2 GLU 2 40.236 0.591 45.241
17 HG3 GLU 2 HG1 GLU 2 39.486 -0.019 46.715
18 H GLU 3 HN GLU 3 40.545 5.514 45.935
19 HA GLU 3 HA GLU 3 42.752 6.190 47.744
20 HB2 GLU 3 HB2 GLU 3 42.082 7.341 45.433
21 HB3 GLU 3 HB1 GLU 3 41.042 8.287 46.499
22 HG2 GLU 3 HG2 GLU 3 43.168 8.548 47.972
23 HG3 GLU 3 HG1 GLU 3 44.045 8.050 46.526
24 H GLY 4 HN GLY 4 40.615 4.900 48.990
25 HA2 GLY 4 HA2 GLY 4 39.824 5.394 51.206
26 HA3 GLY 4 HA1 GLY 4 39.608 7.072 50.714
27 H GLY 5 HN GLY 5 38.620 4.243 48.855
28 HA2 GLY 5 HA2 GLY 5 35.998 5.253 48.413
29 HA3 GLY 5 HA1 GLY 5 36.564 3.635 48.009
30 H ASP 6 HN ASP 6 34.089 4.834 49.410
31 HA ASP 6 HA ASP 6 33.900 2.726 51.417
32 HB2 ASP 6 HB2 ASP 6 34.630 5.244 52.262
33 HB3 ASP 6 HB1 ASP 6 32.879 5.268 52.457
34 H PHE 7 HN PHE 7 32.102 1.704 50.825
35 HA PHE 7 HA PHE 7 30.020 1.336 49.880
36 HB2 PHE 7 HB2 PHE 7 29.569 2.086 52.240
37 HB3 PHE 7 HB1 PHE 7 29.294 3.709 51.608
38 HD1 PHE 7 HD1 PHE 7 28.189 0.159 51.192
39 HD2 PHE 7 HD2 PHE 7 27.188 4.312 50.756
40 HE1 PHE 7 HE1 PHE 7 25.865 -0.465 50.591
41 HE2 PHE 7 HE2 PHE 7 24.864 3.690 50.155
42 HZ PHE 7 HZ PHE 7 24.203 1.300 50.073
43 H ASP 8 HN ASP 8 31.185 2.354 47.870
44 HA ASP 8 HA ASP 8 29.276 4.224 46.715
45 HB2 ASP 8 HB2 ASP 8 31.227 5.519 47.839
46 HB3 ASP 8 HB1 ASP 8 32.188 4.928 46.484
47 H ASN 9 HN ASN 9 29.374 1.684 45.994
48 HA ASN 9 HA ASN 9 30.674 1.770 43.353
49 HB2 ASN 9 HB2 ASN 9 30.875 -0.444 45.392
50 HB3 ASN 9 HB1 ASN 9 31.160 -0.717 43.674
51 HD21 ASN 9 HD21 ASN 9 33.251 -1.033 45.623
52 HD22 ASN 9 HD22 ASN 9 34.412 0.175 45.347
53 H TYR 10 HN TYR 10 28.022 2.374 43.809
54 HA TYR 10 HA TYR 10 26.147 0.342 43.787
55 HB2 TYR 10 HB2 TYR 10 26.204 3.017 42.397
56 HB3 TYR 10 HB1 TYR 10 24.808 1.944 42.293
57 HD1 TYR 10 HD2 TYR 10 23.492 1.380 44.296
58 HD2 TYR 10 HD1 TYR 10 26.804 4.109 44.484
59 HE1 TYR 10 HE2 TYR 10 22.726 2.156 46.523
60 HE2 TYR 10 HE1 TYR 10 26.038 4.885 46.712
61 HH TYR 10 HH TYR 10 23.667 3.230 48.517
62 H TYR 11 HN TYR 11 24.724 0.104 41.591
63 HA TYR 11 HA TYR 11 26.040 -1.772 40.013
64 HB2 TYR 11 HB2 TYR 11 24.137 -1.175 38.327
65 HB3 TYR 11 HB1 TYR 11 23.714 -1.875 39.890
66 HD1 TYR 11 HD2 TYR 11 24.117 1.379 38.102
67 HD2 TYR 11 HD1 TYR 11 22.340 -0.701 41.414
68 HE1 TYR 11 HE2 TYR 11 22.767 3.389 38.639
69 HE2 TYR 11 HE1 TYR 11 20.990 1.308 41.951
70 HH TYR 11 HH TYR 11 21.001 4.146 39.844
71 H GLY 12 HN GLY 12 26.729 -1.700 37.802
72 HA2 GLY 12 HA2 GLY 12 28.481 0.424 37.200
73 HA3 GLY 12 HA1 GLY 12 27.994 -0.845 36.081
74 H ALA 13 HN ALA 13 27.291 0.069 34.258
75 HA ALA 13 HA ALA 13 25.137 2.044 34.410
76 HB1 ALA 13 HB1 ALA 13 26.985 3.531 34.248
77 HB2 ALA 13 HB2 ALA 13 26.332 3.405 32.614
78 HB3 ALA 13 HB3 ALA 13 27.792 2.517 33.053
79 H ASP 14 HN ASP 14 24.618 -0.461 33.754
80 HA ASP 14 HA ASP 14 25.037 -1.397 31.181
81 HB2 ASP 14 HB2 ASP 14 22.663 -2.404 31.491
82 HB3 ASP 14 HB1 ASP 14 23.936 -2.883 32.613
83 H ASN 15 HN ASN 15 25.051 0.304 29.685
84 HA ASN 15 HA ASN 15 22.472 0.929 28.556
85 HB2 ASN 15 HB2 ASN 15 23.976 2.936 30.155
86 HB3 ASN 15 HB1 ASN 15 23.263 3.486 28.638
87 HD21 ASN 15 HD21 ASN 15 20.883 3.271 28.408
88 HD22 ASN 15 HD22 ASN 15 19.904 3.139 29.788
89 H GLN 16 HN GLN 16 25.960 1.428 28.614
90 HA GLN 16 HA GLN 16 26.278 2.533 26.048
91 HB2 GLN 16 HB2 GLN 16 28.572 2.049 26.276
92 HB3 GLN 16 HB1 GLN 16 28.014 2.262 27.936
93 HG2 GLN 16 HG2 GLN 16 28.642 -0.304 26.481
94 HG3 GLN 16 HG1 GLN 16 29.280 0.270 28.020
95 HE21 GLN 16 HE21 GLN 16 27.280 0.728 29.674
96 HE22 GLN 16 HE22 GLN 16 26.170 -0.551 29.769
97 H SER 17 HN SER 17 24.912 -0.360 26.815
98 HA SER 17 HA SER 17 25.931 -2.344 25.250
99 HB2 SER 17 HB2 SER 17 24.031 -3.164 26.162
100 HB3 SER 17 HB1 SER 17 23.239 -1.590 26.155
101 HG SER 17 HG SER 17 22.594 -1.918 24.102
102 H GLU 18 HN GLU 18 25.187 -3.137 23.093
103 HA GLU 18 HA GLU 18 25.354 -2.817 20.810
104 HB2 GLU 18 HB2 GLU 18 22.901 -2.307 21.508
105 HB3 GLU 18 HB1 GLU 18 23.325 -0.629 21.167
106 HG2 GLU 18 HG2 GLU 18 24.129 -1.360 18.903
107 HG3 GLU 18 HG1 GLU 18 23.502 -2.971 19.253
108 H CYS 19 HN CYS 19 27.391 -1.977 20.472
109 HA CYS 19 HA CYS 19 27.515 0.734 19.538
110 HB2 CYS 19 HB2 CYS 19 27.860 0.615 22.205
111 HB3 CYS 19 HB1 CYS 19 29.514 0.283 21.687
112 HG CYS 19 HG CYS 19 29.242 2.553 20.183
113 H GLU 20 HN GLU 20 29.800 1.277 18.833
114 HA GLU 20 HA GLU 20 31.685 0.757 17.626
115 HB2 GLU 20 HB2 GLU 20 31.824 -0.844 19.856
116 HB3 GLU 20 HB1 GLU 20 31.932 -2.020 18.545
117 HG2 GLU 20 HG2 GLU 20 33.733 -0.640 17.507
118 HG3 GLU 20 HG1 GLU 20 33.669 0.440 18.898
119 H TYR 21 HN TYR 21 28.767 -0.724 17.296
120 HA TYR 21 HA TYR 21 29.186 -2.844 15.518
121 HB2 TYR 21 HB2 TYR 21 26.913 -2.739 15.076
122 HB3 TYR 21 HB1 TYR 21 26.994 -1.903 16.627
123 HD1 TYR 21 HD2 TYR 21 27.131 0.636 16.648
124 HD2 TYR 21 HD1 TYR 21 26.172 -1.617 13.119
125 HE1 TYR 21 HE2 TYR 21 26.188 2.677 15.601
126 HE2 TYR 21 HE1 TYR 21 25.229 0.424 12.073
127 HH TYR 21 HH TYR 21 25.490 2.895 12.303
128 H THR 22 HN THR 22 30.075 0.342 15.142
129 HA THR 22 HA THR 22 29.687 0.406 12.239
130 HB THR 22 HB THR 22 30.779 2.436 14.198
131 HG1 THR 22 HG1 THR 22 28.828 3.493 13.147
132 HG21 THR 22 HG21 THR 22 31.977 2.870 12.212
133 HG22 THR 22 HG22 THR 22 30.578 3.939 12.105
134 HG23 THR 22 HG23 THR 22 30.608 2.432 11.189
135 H ASP 23 HN ASP 23 32.263 0.247 14.654
136 HA ASP 23 HA ASP 23 34.255 -0.058 12.507
137 HB2 ASP 23 HB2 ASP 23 34.454 1.536 14.607
138 HB3 ASP 23 HB1 ASP 23 34.998 0.058 15.398
139 H TRP 24 HN TRP 24 32.294 -2.133 13.305
140 HA TRP 24 HA TRP 24 33.301 -4.141 14.911
141 HB2 TRP 24 HB2 TRP 24 32.126 -5.671 13.097
142 HB3 TRP 24 HB1 TRP 24 31.179 -4.614 14.139
143 HD1 TRP 24 HD1 TRP 24 33.221 -3.140 11.283
144 HE1 TRP 24 HE1 TRP 24 31.610 -2.183 9.514
145 HE3 TRP 24 HE3 TRP 24 28.775 -4.860 13.116
146 HZ2 TRP 24 HZ2 TRP 24 28.805 -2.149 8.951
147 HZ3 TRP 24 HZ3 TRP 24 26.651 -4.350 11.945
148 HH2 TRP 24 HH2 TRP 24 26.661 -2.997 9.867
149 H LYS 25 HN LYS 25 33.272 -5.269 11.661
150 HA LYS 25 HA LYS 25 36.070 -6.082 11.925
151 HB2 LYS 25 HB2 LYS 25 35.544 -7.458 9.884
152 HB3 LYS 25 HB1 LYS 25 34.562 -7.843 11.298
153 HG2 LYS 25 HG2 LYS 25 32.675 -7.315 10.194
154 HG3 LYS 25 HG1 LYS 25 33.314 -5.720 9.792
155 HD2 LYS 25 HD2 LYS 25 34.556 -6.717 7.889
156 HD3 LYS 25 HD1 LYS 25 33.853 -8.287 8.272
157 HE2 LYS 25 HE2 LYS 25 32.191 -5.828 7.676
158 HE3 LYS 25 HE1 LYS 25 32.647 -7.009 6.449
159 HZ1 LYS 25 HZ1 LYS 25 30.967 -7.425 8.849
160 HZ2 LYS 25 HZ2 LYS 25 31.645 -8.720 7.984
161 HZ3 LYS 25 HZ3 LYS 25 30.550 -7.668 7.223
162 H SER 26 HN SER 26 37.088 -4.071 11.542
163 HA SER 26 HA SER 26 37.158 -3.339 8.690
164 HB2 SER 26 HB2 SER 26 37.522 -0.910 9.811
165 HB3 SER 26 HB1 SER 26 35.951 -1.498 9.272
166 HG SER 26 HG SER 26 35.654 -2.299 11.425
167 H SER 27 HN SER 27 38.657 -2.027 11.640
168 HA SER 27 HA SER 27 41.284 -2.273 10.373
169 HB2 SER 27 HB2 SER 27 41.328 -1.184 13.049
170 HB3 SER 27 HB1 SER 27 41.788 -0.422 11.531
171 HG SER 27 HG SER 27 40.067 0.732 12.099
172 H GLY 28 HN GLY 28 39.314 -3.934 12.596
173 HA2 GLY 28 HA2 GLY 28 39.924 -6.147 13.315
174 HA3 GLY 28 HA1 GLY 28 41.604 -5.622 13.379
175 H ALA 29 HN ALA 29 39.359 -3.356 14.592
176 HA ALA 29 HA ALA 29 39.189 -2.439 16.706
177 HB1 ALA 29 HB1 ALA 29 37.453 -3.919 17.109
178 HB2 ALA 29 HB2 ALA 29 38.558 -4.337 18.418
179 HB3 ALA 29 HB3 ALA 29 38.490 -5.338 16.968
180 H LEU 30 HN LEU 30 41.397 -1.782 16.886
181 HA LEU 30 HA LEU 30 42.796 -3.177 19.046
182 HB2 LEU 30 HB2 LEU 30 44.956 -3.039 17.808
183 HB3 LEU 30 HB1 LEU 30 43.808 -4.155 17.068
184 HG LEU 30 HG LEU 30 43.379 -1.506 16.019
185 HD11 LEU 30 HD11 LEU 30 46.210 -2.583 15.873
186 HD12 LEU 30 HD12 LEU 30 45.700 -1.036 16.549
187 HD13 LEU 30 HD13 LEU 30 45.578 -1.325 14.813
188 HD21 LEU 30 HD21 LEU 30 44.416 -4.082 14.791
189 HD22 LEU 30 HD22 LEU 30 43.808 -2.696 13.884
190 HD23 LEU 30 HD23 LEU 30 42.721 -3.613 14.929
191 H ILE 31 HN ILE 31 41.364 -0.802 19.147
192 HA ILE 31 HA ILE 31 42.982 0.938 20.499
193 HB ILE 31 HB ILE 31 43.417 1.231 17.648
194 HG12 ILE 31 HG12 ILE 31 45.104 1.213 19.532
195 HG13 ILE 31 HG11 ILE 31 45.294 2.545 18.398
196 HG21 ILE 31 HG21 ILE 31 42.357 3.699 19.075
197 HG22 ILE 31 HG22 ILE 31 41.654 2.922 17.656
198 HG23 ILE 31 HG23 ILE 31 43.223 3.707 17.542
199 HD11 ILE 31 HD11 ILE 31 43.485 3.203 20.608
200 HD12 ILE 31 HD12 ILE 31 44.884 4.087 19.999
201 HD13 ILE 31 HD13 ILE 31 45.105 2.777 21.157
202 HA PRO 32 HA PRO 32 38.842 3.092 19.156
203 HB2 PRO 32 HB2 PRO 32 37.305 0.866 17.993
204 HB3 PRO 32 HB1 PRO 32 37.557 2.505 17.368
205 HG2 PRO 32 HG2 PRO 32 38.681 0.341 16.241
206 HG3 PRO 32 HG1 PRO 32 39.465 1.931 16.251
207 HD2 PRO 32 HD2 PRO 32 40.024 -0.458 17.976
208 HD3 PRO 32 HD1 PRO 32 41.165 0.702 17.259
209 H ALA 33 HN ALA 33 39.119 -0.202 20.270
210 HA ALA 33 HA ALA 33 36.694 -0.267 21.790
211 HB1 ALA 33 HB1 ALA 33 39.133 -1.966 21.557
212 HB2 ALA 33 HB2 ALA 33 37.434 -2.410 21.400
213 HB3 ALA 33 HB3 ALA 33 38.134 -2.151 22.998
214 H ILE 34 HN ILE 34 39.878 0.991 22.313
215 HA ILE 34 HA ILE 34 39.373 1.319 25.193
216 HB ILE 34 HB ILE 34 41.874 1.832 23.565
217 HG12 ILE 34 HG12 ILE 34 41.403 -0.348 25.604
218 HG13 ILE 34 HG11 ILE 34 41.020 -0.586 23.898
219 HG21 ILE 34 HG21 ILE 34 42.808 1.724 26.020
220 HG22 ILE 34 HG22 ILE 34 41.157 2.154 26.467
221 HG23 ILE 34 HG23 ILE 34 42.097 3.225 25.428
222 HD11 ILE 34 HD11 ILE 34 43.312 -1.377 24.468
223 HD12 ILE 34 HD12 ILE 34 43.731 0.265 24.956
224 HD13 ILE 34 HD13 ILE 34 43.328 -0.079 23.274
225 H TYR 35 HN TYR 35 38.848 2.953 22.355
226 HA TYR 35 HA TYR 35 39.501 5.618 23.310
227 HB2 TYR 35 HB2 TYR 35 39.414 4.632 20.828
228 HB3 TYR 35 HB1 TYR 35 37.749 5.203 20.941
229 HD1 TYR 35 HD2 TYR 35 37.377 7.625 21.783
230 HD2 TYR 35 HD1 TYR 35 41.156 6.145 20.374
231 HE1 TYR 35 HE2 TYR 35 38.147 9.951 21.403
232 HE2 TYR 35 HE1 TYR 35 41.926 8.472 19.996
233 HH TYR 35 HH TYR 35 40.478 11.122 21.303
234 H MET 36 HN MET 36 36.698 3.534 23.025
235 HA MET 36 HA MET 36 34.906 5.688 23.879
236 HB2 MET 36 HB2 MET 36 34.520 2.904 22.827
237 HB3 MET 36 HB1 MET 36 33.213 3.707 23.700
238 HG2 MET 36 HG2 MET 36 34.589 5.298 21.597
239 HG3 MET 36 HG1 MET 36 33.549 3.985 21.047
240 HE1 MET 36 HE1 MET 36 33.604 7.613 21.623
241 HE2 MET 36 HE2 MET 36 31.942 7.771 21.062
242 HE3 MET 36 HE3 MET 36 33.068 6.744 20.178
243 H LEU 37 HN LEU 37 36.645 2.997 25.151
244 HA LEU 37 HA LEU 37 35.000 2.575 27.461
245 HB2 LEU 37 HB2 LEU 37 37.301 1.366 26.288
246 HB3 LEU 37 HB1 LEU 37 37.696 1.775 27.957
247 HG LEU 37 HG LEU 37 35.231 0.240 27.072
248 HD11 LEU 37 HD11 LEU 37 36.307 -1.730 27.857
249 HD12 LEU 37 HD12 LEU 37 37.595 -0.810 28.635
250 HD13 LEU 37 HD13 LEU 37 37.520 -0.907 26.876
251 HD21 LEU 37 HD21 LEU 37 35.597 -0.219 29.756
252 HD22 LEU 37 HD22 LEU 37 34.486 0.982 29.096
253 HD23 LEU 37 HD23 LEU 37 36.099 1.465 29.619
254 H VAL 38 HN VAL 38 36.270 5.299 26.671
255 HA VAL 38 HA VAL 38 37.176 5.970 29.403
256 HB VAL 38 HB VAL 38 38.293 7.063 26.808
257 HG11 VAL 38 HG11 VAL 38 38.319 8.010 29.573
258 HG12 VAL 38 HG12 VAL 38 38.816 8.842 28.101
259 HG13 VAL 38 HG13 VAL 38 39.944 7.772 28.932
260 HG21 VAL 38 HG21 VAL 38 39.035 4.752 27.372
261 HG22 VAL 38 HG22 VAL 38 39.570 5.332 28.950
262 HG23 VAL 38 HG23 VAL 38 40.352 5.919 27.482
263 H PHE 39 HN PHE 39 35.341 6.756 26.571
264 HA PHE 39 HA PHE 39 34.663 9.434 27.442
265 HB2 PHE 39 HB2 PHE 39 34.138 7.734 25.086
266 HB3 PHE 39 HB1 PHE 39 32.837 8.845 25.514
267 HD1 PHE 39 HD2 PHE 39 36.546 9.186 25.885
268 HD2 PHE 39 HD1 PHE 39 32.967 10.643 24.009
269 HE1 PHE 39 HE2 PHE 39 37.828 11.068 24.903
270 HE2 PHE 39 HE1 PHE 39 34.248 12.525 23.026
271 HZ PHE 39 HZ PHE 39 36.679 12.738 23.473
272 H LEU 40 HN LEU 40 32.582 6.636 26.674
273 HA LEU 40 HA LEU 40 30.302 7.472 27.979
274 HB2 LEU 40 HB2 LEU 40 29.700 5.070 28.162
275 HB3 LEU 40 HB1 LEU 40 30.313 5.492 26.564
276 HG LEU 40 HG LEU 40 32.626 4.805 27.895
277 HD11 LEU 40 HD11 LEU 40 30.417 2.924 28.786
278 HD12 LEU 40 HD12 LEU 40 31.313 4.014 29.842
279 HD13 LEU 40 HD13 LEU 40 32.143 2.679 29.044
280 HD21 LEU 40 HD21 LEU 40 32.482 2.716 26.576
281 HD22 LEU 40 HD22 LEU 40 31.953 4.107 25.629
282 HD23 LEU 40 HD23 LEU 40 30.761 3.005 26.317
283 H LEU 41 HN LEU 41 33.287 6.724 29.376
284 HA LEU 41 HA LEU 41 32.469 5.658 31.872
285 HB2 LEU 41 HB2 LEU 41 34.925 6.766 30.690
286 HB3 LEU 41 HB1 LEU 41 34.787 7.018 32.429
287 HG LEU 41 HG LEU 41 35.920 4.861 31.784
288 HD11 LEU 41 HD11 LEU 41 33.864 5.316 33.717
289 HD12 LEU 41 HD12 LEU 41 35.219 4.194 33.812
290 HD13 LEU 41 HD13 LEU 41 33.688 3.669 33.114
291 HD21 LEU 41 HD21 LEU 41 34.910 3.301 30.466
292 HD22 LEU 41 HD22 LEU 41 33.945 4.666 29.908
293 HD23 LEU 41 HD23 LEU 41 33.318 3.599 31.164
294 H GLY 42 HN GLY 42 32.918 8.960 30.687
295 HA2 GLY 42 HA2 GLY 42 31.298 9.952 32.908
296 HA3 GLY 42 HA1 GLY 42 32.937 10.586 32.791
297 H THR 43 HN THR 43 31.015 9.728 29.981
298 HA THR 43 HA THR 43 29.858 12.225 29.432
299 HB THR 43 HB THR 43 32.014 13.199 29.210
300 HG1 THR 43 HG1 THR 43 30.421 13.184 27.307
301 HG21 THR 43 HG21 THR 43 33.301 11.097 29.181
302 HG22 THR 43 HG22 THR 43 33.802 12.159 27.865
303 HG23 THR 43 HG23 THR 43 32.749 10.782 27.536
304 H THR 44 HN THR 44 28.458 11.991 27.797
305 HA THR 44 HA THR 44 27.497 11.188 25.843
306 HB THR 44 HB THR 44 29.514 9.030 25.495
307 HG1 THR 44 HG1 THR 44 30.916 10.607 25.997
308 HG21 THR 44 HG21 THR 44 29.171 9.501 23.191
309 HG22 THR 44 HG22 THR 44 28.497 11.093 23.538
310 HG23 THR 44 HG23 THR 44 27.575 9.642 23.930
311 H GLY 45 HN GLY 45 27.890 9.745 28.719
312 HA2 GLY 45 HA2 GLY 45 25.647 8.237 28.812
313 HA3 GLY 45 HA1 GLY 45 26.819 7.124 28.113
314 H ASN 46 HN ASN 46 26.211 9.216 30.908
315 HA ASN 46 HA ASN 46 27.589 7.256 32.601
316 HB2 ASN 46 HB2 ASN 46 28.385 9.599 33.767
317 HB3 ASN 46 HB1 ASN 46 29.386 8.622 32.696
318 HD21 ASN 46 HD21 ASN 46 28.879 9.152 30.212
319 HD22 ASN 46 HD22 ASN 46 28.763 10.805 29.848
320 H GLY 47 HN GLY 47 24.798 8.482 31.997
321 HA2 GLY 47 HA2 GLY 47 22.979 8.205 33.555
322 HA3 GLY 47 HA1 GLY 47 24.044 8.774 34.837
323 H LEU 48 HN LEU 48 25.012 11.070 34.224
324 HA LEU 48 HA LEU 48 22.783 12.861 34.184
325 HB2 LEU 48 HB2 LEU 48 25.691 13.033 34.581
326 HB3 LEU 48 HB1 LEU 48 24.998 14.448 33.793
327 HG LEU 48 HG LEU 48 25.030 14.591 36.308
328 HD11 LEU 48 HD11 LEU 48 22.901 15.176 34.494
329 HD12 LEU 48 HD12 LEU 48 23.313 16.006 35.993
330 HD13 LEU 48 HD13 LEU 48 22.185 14.651 36.018
331 HD21 LEU 48 HD21 LEU 48 24.208 11.978 36.204
332 HD22 LEU 48 HD22 LEU 48 22.686 12.809 36.528
333 HD23 LEU 48 HD23 LEU 48 24.053 13.012 37.624
334 H VAL 49 HN VAL 49 24.283 11.230 31.732
335 HA VAL 49 HA VAL 49 24.149 13.384 29.762
336 HB VAL 49 HB VAL 49 25.099 10.531 29.719
337 HG11 VAL 49 HG11 VAL 49 23.986 10.555 27.654
338 HG12 VAL 49 HG12 VAL 49 25.595 11.131 27.219
339 HG13 VAL 49 HG13 VAL 49 24.269 12.279 27.411
340 HG21 VAL 49 HG21 VAL 49 26.464 13.004 28.662
341 HG22 VAL 49 HG22 VAL 49 27.191 11.506 29.240
342 HG23 VAL 49 HG23 VAL 49 26.479 12.640 30.387
343 H LEU 50 HN LEU 50 22.826 10.070 29.981
344 HA LEU 50 HA LEU 50 20.837 10.515 27.997
345 HB2 LEU 50 HB2 LEU 50 19.860 8.378 28.897
346 HB3 LEU 50 HB1 LEU 50 21.560 8.263 28.441
347 HG LEU 50 HG LEU 50 21.383 9.143 31.171
348 HD11 LEU 50 HD11 LEU 50 19.900 6.575 30.530
349 HD12 LEU 50 HD12 LEU 50 19.170 8.050 31.166
350 HD13 LEU 50 HD13 LEU 50 20.319 7.140 32.147
351 HD21 LEU 50 HD21 LEU 50 23.312 8.012 30.165
352 HD22 LEU 50 HD22 LEU 50 22.338 6.571 29.870
353 HD23 LEU 50 HD23 LEU 50 22.708 7.063 31.523
354 H TRP 51 HN TRP 51 21.084 11.962 30.881
355 HA TRP 51 HA TRP 51 18.283 11.747 31.686
356 HB2 TRP 51 HB2 TRP 51 19.201 12.110 33.699
357 HB3 TRP 51 HB1 TRP 51 20.763 12.484 32.968
358 HD1 TRP 51 HD1 TRP 51 21.128 15.059 32.149
359 HE1 TRP 51 HE1 TRP 51 20.173 17.250 33.116
360 HE3 TRP 51 HE3 TRP 51 17.235 13.197 34.880
361 HZ2 TRP 51 HZ2 TRP 51 18.041 18.101 34.823
362 HZ3 TRP 51 HZ3 TRP 51 15.760 14.719 36.165
363 HH2 TRP 51 HH2 TRP 51 16.158 17.166 36.140
364 H THR 52 HN THR 52 20.456 13.936 30.045
365 HA THR 52 HA THR 52 18.665 16.196 30.140
366 HB THR 52 HB THR 52 21.265 16.157 29.844
367 HG1 THR 52 HG1 THR 52 19.389 17.787 28.521
368 HG21 THR 52 HG21 THR 52 22.092 15.980 27.657
369 HG22 THR 52 HG22 THR 52 20.499 16.208 26.936
370 HG23 THR 52 HG23 THR 52 20.898 14.683 27.726
371 H VAL 53 HN VAL 53 19.133 13.436 28.104
372 HA VAL 53 HA VAL 53 17.914 14.470 25.742
373 HB VAL 53 HB VAL 53 18.306 11.638 26.729
374 HG11 VAL 53 HG11 VAL 53 17.951 11.165 24.213
375 HG12 VAL 53 HG12 VAL 53 17.187 12.753 24.156
376 HG13 VAL 53 HG13 VAL 53 16.516 11.488 25.186
377 HG21 VAL 53 HG21 VAL 53 20.109 13.544 25.751
378 HG22 VAL 53 HG22 VAL 53 19.757 12.518 24.360
379 HG23 VAL 53 HG23 VAL 53 20.381 11.805 25.848
380 H PHE 54 HN PHE 54 16.714 12.629 28.526
381 HA PHE 54 HA PHE 54 14.051 12.352 27.529
382 HB2 PHE 54 HB2 PHE 54 14.114 10.859 29.205
383 HB3 PHE 54 HB1 PHE 54 15.531 11.627 29.922
384 HD1 PHE 54 HD1 PHE 54 11.823 11.746 29.718
385 HD2 PHE 54 HD2 PHE 54 15.334 13.147 31.759
386 HE1 PHE 54 HE1 PHE 54 10.399 12.711 31.505
387 HE2 PHE 54 HE2 PHE 54 13.910 14.111 33.545
388 HZ PHE 54 HZ PHE 54 11.442 13.894 33.419
389 H ARG 55 HN ARG 55 15.785 14.894 29.086
390 HA ARG 55 HA ARG 55 13.534 16.261 30.212
391 HB2 ARG 55 HB2 ARG 55 16.333 16.548 30.264
392 HB3 ARG 55 HB1 ARG 55 15.711 18.030 29.539
393 HG2 ARG 55 HG2 ARG 55 15.756 18.338 31.940
394 HG3 ARG 55 HG1 ARG 55 14.070 18.187 31.440
395 HD2 ARG 55 HD2 ARG 55 14.990 15.556 31.913
396 HD3 ARG 55 HD1 ARG 55 15.568 16.528 33.263
397 HE ARG 55 HE ARG 55 12.796 15.922 32.623
398 HH11 ARG 55 HH21 ARG 55 15.057 17.931 34.305
399 HH12 ARG 55 HH22 ARG 55 13.914 18.460 35.494
400 HH21 ARG 55 HH11 ARG 55 11.292 16.611 34.180
401 HH22 ARG 55 HH12 ARG 55 11.782 17.712 35.423
402 H LYS 56 HN LYS 56 15.568 16.957 27.357
403 HA LYS 56 HA LYS 56 14.092 19.070 26.324
404 HB2 LYS 56 HB2 LYS 56 15.032 18.328 24.090
405 HB3 LYS 56 HB1 LYS 56 16.224 18.571 25.367
406 HG2 LYS 56 HG2 LYS 56 16.321 16.187 25.809
407 HG3 LYS 56 HG1 LYS 56 15.007 15.884 24.675
408 HD2 LYS 56 HD2 LYS 56 17.185 15.386 23.634
409 HD3 LYS 56 HD1 LYS 56 16.401 16.742 22.825
410 HE2 LYS 56 HE2 LYS 56 18.253 17.317 25.108
411 HE3 LYS 56 HE1 LYS 56 18.947 16.896 23.543
412 HZ1 LYS 56 HZ1 LYS 56 16.813 18.774 23.299
413 HZ2 LYS 56 HZ2 LYS 56 18.407 18.870 22.721
414 HZ3 LYS 56 HZ3 LYS 56 18.044 19.361 24.307
415 H LYS 57 HN LYS 57 13.499 15.619 26.150
416 HA LYS 57 HA LYS 57 11.312 15.954 24.249
417 HB2 LYS 57 HB2 LYS 57 12.583 13.578 25.599
418 HB3 LYS 57 HB1 LYS 57 11.067 13.431 24.708
419 HG2 LYS 57 HG2 LYS 57 12.060 13.872 22.668
420 HG3 LYS 57 HG1 LYS 57 13.338 14.854 23.383
421 HD2 LYS 57 HD2 LYS 57 14.527 12.934 24.146
422 HD3 LYS 57 HD1 LYS 57 13.152 11.872 23.841
423 HE2 LYS 57 HE2 LYS 57 14.242 13.420 21.533
424 HE3 LYS 57 HE1 LYS 57 15.182 12.046 22.114
425 HZ1 LYS 57 HZ1 LYS 57 13.127 10.703 21.953
426 HZ2 LYS 57 HZ2 LYS 57 13.675 11.284 20.453
427 HZ3 LYS 57 HZ3 LYS 57 12.353 12.023 21.221
428 H GLY 58 HN GLY 58 10.843 17.436 26.515
429 HA2 GLY 58 HA2 GLY 58 9.024 15.863 28.202
430 HA3 GLY 58 HA1 GLY 58 9.578 17.504 28.523
431 H HIS 59 HN HIS 59 8.367 16.433 25.407
432 HA HIS 59 HA HIS 59 6.166 18.370 25.656
433 HB2 HIS 59 HB2 HIS 59 7.880 17.448 23.474
434 HB3 HIS 59 HB1 HIS 59 6.169 17.466 23.044
435 HD2 HIS 59 HD2 HIS 59 8.486 20.113 24.952
436 HE1 HIS 59 HE1 HIS 59 5.938 22.142 22.265
437 HE2 HIS 59 HE2 HIS 59 7.777 22.437 23.991
438 H HIS 60 HN HIS 60 6.627 15.212 24.049
439 HA HIS 60 HA HIS 60 3.929 14.532 23.868
440 HB2 HIS 60 HB2 HIS 60 6.499 13.055 23.772
441 HB3 HIS 60 HB1 HIS 60 5.056 12.094 24.093
442 HD2 HIS 60 HD2 HIS 60 4.146 11.181 21.657
443 HE1 HIS 60 HE1 HIS 60 4.901 14.655 19.380
444 HE2 HIS 60 HE2 HIS 60 3.948 12.302 19.307
445 H HIS 61 HN HIS 61 2.575 13.214 25.125
446 HA HIS 61 HA HIS 61 2.353 13.682 27.798
447 HB2 HIS 61 HB2 HIS 61 1.621 11.141 26.324
448 HB3 HIS 61 HB1 HIS 61 1.057 11.554 27.943
449 HD2 HIS 61 HD2 HIS 61 0.242 14.701 27.451
450 HE1 HIS 61 HE1 HIS 61 -2.135 13.237 24.285
451 HE2 HIS 61 HE2 HIS 61 -1.728 15.219 25.818
452 H HIS 62 HN HIS 62 3.170 12.896 29.683
453 HA HIS 62 HA HIS 62 5.738 11.806 29.766
454 HB2 HIS 62 HB2 HIS 62 3.864 11.285 32.032
455 HB3 HIS 62 HB1 HIS 62 5.530 11.862 32.062
456 HD2 HIS 62 HD2 HIS 62 5.771 14.631 32.188
457 HE1 HIS 62 HE1 HIS 62 1.735 15.581 31.394
458 HE2 HIS 62 HE2 HIS 62 3.996 16.541 32.037
459 H HIS 63 HN HIS 63 2.631 10.261 29.509
460 HA HIS 63 HA HIS 63 3.245 7.683 30.416
461 HB2 HIS 63 HB2 HIS 63 1.431 8.354 28.091
462 HB3 HIS 63 HB1 HIS 63 1.345 6.940 29.141
463 HD2 HIS 63 HD2 HIS 63 -1.334 8.661 29.315
464 HE1 HIS 63 HE1 HIS 63 0.293 10.524 32.737
465 HE2 HIS 63 HE2 HIS 63 -1.847 10.093 31.437
466 H HIS 64 HN HIS 64 5.480 7.453 29.696
467 HA HIS 64 HA HIS 64 6.361 7.406 27.061
468 HB2 HIS 64 HB2 HIS 64 7.479 6.839 29.506
469 HB3 HIS 64 HB1 HIS 64 7.476 5.259 28.724
470 HD2 HIS 64 HD2 HIS 64 8.894 5.236 26.157
471 HE1 HIS 64 HE1 HIS 64 11.029 8.781 26.990
472 HE2 HIS 64 HE2 HIS 64 10.879 6.773 25.442
Start of MODEL 21
1 H1 MET 1 HT1 MET 1 -1.046 8.038 -19.621
2 H2 MET 1 HT2 MET 1 -0.210 7.020 -18.549
3 H3 MET 1 HT3 MET 1 0.206 8.663 -18.662
4 HA MET 1 HA MET 1 -1.033 8.615 -16.733
5 HB2 MET 1 HB2 MET 1 -2.046 9.904 -18.967
6 HB3 MET 1 HB1 MET 1 -3.447 9.034 -18.341
7 HG2 MET 1 HG2 MET 1 -3.023 9.994 -16.095
8 HG3 MET 1 HG1 MET 1 -1.658 10.897 -16.751
9 HE1 MET 1 HE1 MET 1 -5.247 12.888 -16.008
10 HE2 MET 1 HE2 MET 1 -3.794 12.329 -15.184
11 HE3 MET 1 HE3 MET 1 -5.058 11.176 -15.603
12 H GLU 2 HN GLU 2 -1.930 7.207 -15.364
13 HA GLU 2 HA GLU 2 -2.936 5.288 -14.584
14 HB2 GLU 2 HB2 GLU 2 -4.996 5.748 -16.737
15 HB3 GLU 2 HB1 GLU 2 -5.226 5.075 -15.122
16 HG2 GLU 2 HG2 GLU 2 -4.593 7.943 -15.851
17 HG3 GLU 2 HG1 GLU 2 -6.035 7.332 -15.041
18 H GLU 3 HN GLU 3 -1.089 4.085 -15.537
19 HA GLU 3 HA GLU 3 -2.085 2.133 -17.505
20 HB2 GLU 3 HB2 GLU 3 0.677 3.370 -17.587
21 HB3 GLU 3 HB1 GLU 3 0.036 2.156 -18.695
22 HG2 GLU 3 HG2 GLU 3 -1.861 3.889 -19.126
23 HG3 GLU 3 HG1 GLU 3 -0.740 5.053 -18.421
24 H GLY 4 HN GLY 4 0.306 0.666 -17.658
25 HA2 GLY 4 HA2 GLY 4 0.485 -0.403 -14.901
26 HA3 GLY 4 HA1 GLY 4 0.605 -1.386 -16.357
27 H GLY 5 HN GLY 5 2.117 1.749 -16.129
28 HA2 GLY 5 HA2 GLY 5 4.754 0.493 -15.711
29 HA3 GLY 5 HA1 GLY 5 4.493 1.542 -17.101
30 H ASP 6 HN ASP 6 6.250 1.770 -14.659
31 HA ASP 6 HA ASP 6 5.648 4.572 -14.118
32 HB2 ASP 6 HB2 ASP 6 4.487 3.092 -12.361
33 HB3 ASP 6 HB1 ASP 6 6.111 2.732 -11.779
34 H PHE 7 HN PHE 7 7.441 5.480 -12.623
35 HA PHE 7 HA PHE 7 10.000 4.093 -12.955
36 HB2 PHE 7 HB2 PHE 7 9.236 6.669 -14.283
37 HB3 PHE 7 HB1 PHE 7 10.902 6.427 -13.756
38 HD1 PHE 7 HD2 PHE 7 8.246 5.266 -16.030
39 HD2 PHE 7 HD1 PHE 7 12.312 4.705 -14.761
40 HE1 PHE 7 HE2 PHE 7 8.676 3.861 -18.028
41 HE2 PHE 7 HE1 PHE 7 12.741 3.301 -16.759
42 HZ PHE 7 HZ PHE 7 10.924 2.879 -18.394
43 H ASP 8 HN ASP 8 10.819 4.075 -10.968
44 HA ASP 8 HA ASP 8 11.119 6.566 -9.502
45 HB2 ASP 8 HB2 ASP 8 8.841 5.497 -8.899
46 HB3 ASP 8 HB1 ASP 8 9.801 4.281 -8.056
47 H ASN 9 HN ASN 9 13.211 5.424 -10.505
48 HA ASN 9 HA ASN 9 14.606 4.308 -8.203
49 HB2 ASN 9 HB2 ASN 9 13.597 2.398 -9.623
50 HB3 ASN 9 HB1 ASN 9 14.816 2.835 -10.819
51 HD21 ASN 9 HD21 ASN 9 14.485 0.446 -8.812
52 HD22 ASN 9 HD22 ASN 9 16.021 0.340 -8.098
53 H TYR 10 HN TYR 10 14.837 6.816 -9.406
54 HA TYR 10 HA TYR 10 16.786 7.058 -11.403
55 HB2 TYR 10 HB2 TYR 10 15.520 8.792 -9.436
56 HB3 TYR 10 HB1 TYR 10 17.208 9.224 -9.711
57 HD1 TYR 10 HD1 TYR 10 18.002 9.427 -12.163
58 HD2 TYR 10 HD2 TYR 10 13.867 9.400 -11.000
59 HE1 TYR 10 HE1 TYR 10 17.386 10.467 -14.328
60 HE2 TYR 10 HE2 TYR 10 13.252 10.438 -13.166
61 HH TYR 10 HH TYR 10 14.175 10.627 -15.441
62 H TYR 11 HN TYR 11 17.098 5.692 -8.374
63 HA TYR 11 HA TYR 11 19.538 6.538 -7.374
64 HB2 TYR 11 HB2 TYR 11 18.188 3.847 -7.387
65 HB3 TYR 11 HB1 TYR 11 19.757 4.079 -6.616
66 HD1 TYR 11 HD2 TYR 11 19.965 6.045 -4.930
67 HD2 TYR 11 HD1 TYR 11 16.218 4.396 -6.231
68 HE1 TYR 11 HE2 TYR 11 18.847 7.016 -2.941
69 HE2 TYR 11 HE1 TYR 11 15.100 5.367 -4.241
70 HH TYR 11 HH TYR 11 16.913 6.802 -1.633
71 H GLY 12 HN GLY 12 21.497 6.631 -8.248
72 HA2 GLY 12 HA2 GLY 12 22.721 4.461 -9.614
73 HA3 GLY 12 HA1 GLY 12 22.208 5.690 -10.769
74 H ALA 13 HN ALA 13 23.626 5.825 -7.494
75 HA ALA 13 HA ALA 13 25.496 7.878 -8.446
76 HB1 ALA 13 HB1 ALA 13 24.083 8.149 -6.331
77 HB2 ALA 13 HB2 ALA 13 25.810 8.469 -6.170
78 HB3 ALA 13 HB3 ALA 13 25.139 6.941 -5.600
79 H ASP 14 HN ASP 14 26.280 5.658 -9.593
80 HA ASP 14 HA ASP 14 27.994 4.010 -7.981
81 HB2 ASP 14 HB2 ASP 14 27.994 4.341 -10.987
82 HB3 ASP 14 HB1 ASP 14 28.660 2.993 -10.069
83 H ASN 15 HN ASN 15 28.936 6.191 -7.099
84 HA ASN 15 HA ASN 15 31.556 6.482 -8.344
85 HB2 ASN 15 HB2 ASN 15 29.588 8.751 -8.064
86 HB3 ASN 15 HB1 ASN 15 31.327 9.025 -8.156
87 HD21 ASN 15 HD21 ASN 15 32.187 7.238 -10.072
88 HD22 ASN 15 HD22 ASN 15 31.402 7.524 -11.551
89 H GLN 16 HN GLN 16 30.645 5.302 -5.898
90 HA GLN 16 HA GLN 16 31.383 7.198 -3.799
91 HB2 GLN 16 HB2 GLN 16 30.783 5.377 -2.258
92 HB3 GLN 16 HB1 GLN 16 29.482 5.686 -3.410
93 HG2 GLN 16 HG2 GLN 16 31.001 3.830 -4.754
94 HG3 GLN 16 HG1 GLN 16 31.165 3.295 -3.083
95 HE21 GLN 16 HE21 GLN 16 28.413 4.739 -4.931
96 HE22 GLN 16 HE22 GLN 16 27.312 3.515 -4.513
97 H SER 17 HN SER 17 33.580 7.238 -4.993
98 HA SER 17 HA SER 17 35.293 4.991 -4.167
99 HB2 SER 17 HB2 SER 17 35.372 5.819 -6.539
100 HB3 SER 17 HB1 SER 17 36.002 7.346 -5.928
101 HG SER 17 HG SER 17 37.627 5.796 -6.571
102 H GLU 18 HN GLU 18 35.817 5.289 -2.059
103 HA GLU 18 HA GLU 18 37.338 7.722 -1.413
104 HB2 GLU 18 HB2 GLU 18 34.850 6.760 -0.088
105 HB3 GLU 18 HB1 GLU 18 36.130 7.396 0.945
106 HG2 GLU 18 HG2 GLU 18 36.177 9.476 -0.332
107 HG3 GLU 18 HG1 GLU 18 34.977 8.842 -1.457
108 H CYS 19 HN CYS 19 39.057 7.388 -0.062
109 HA CYS 19 HA CYS 19 39.658 4.581 0.577
110 HB2 CYS 19 HB2 CYS 19 41.987 5.483 0.946
111 HB3 CYS 19 HB1 CYS 19 41.384 5.644 -0.704
112 HG CYS 19 HG CYS 19 41.188 8.147 -0.422
113 H GLU 20 HN GLU 20 37.863 6.463 2.130
114 HA GLU 20 HA GLU 20 39.137 5.998 4.743
115 HB2 GLU 20 HB2 GLU 20 38.810 8.548 3.585
116 HB3 GLU 20 HB1 GLU 20 37.562 8.408 4.824
117 HG2 GLU 20 HG2 GLU 20 39.284 7.686 6.455
118 HG3 GLU 20 HG1 GLU 20 40.523 7.888 5.217
119 H TYR 21 HN TYR 21 36.186 6.768 2.940
120 HA TYR 21 HA TYR 21 34.270 6.458 4.909
121 HB2 TYR 21 HB2 TYR 21 32.804 6.526 3.192
122 HB3 TYR 21 HB1 TYR 21 34.228 6.768 2.178
123 HD1 TYR 21 HD1 TYR 21 35.358 4.766 1.131
124 HD2 TYR 21 HD2 TYR 21 31.544 4.506 3.090
125 HE1 TYR 21 HE1 TYR 21 34.928 2.598 0.006
126 HE2 TYR 21 HE2 TYR 21 31.114 2.338 1.965
127 HH TYR 21 HH TYR 21 31.804 0.993 0.245
128 H THR 22 HN THR 22 36.490 4.150 3.820
129 HA THR 22 HA THR 22 34.815 1.891 4.694
130 HB THR 22 HB THR 22 37.406 2.026 3.145
131 HG1 THR 22 HG1 THR 22 35.477 0.563 2.064
132 HG21 THR 22 HG21 THR 22 37.739 0.097 4.423
133 HG22 THR 22 HG22 THR 22 36.907 -0.540 3.005
134 HG23 THR 22 HG23 THR 22 36.015 -0.267 4.500
135 H ASP 23 HN ASP 23 37.713 3.702 5.460
136 HA ASP 23 HA ASP 23 38.326 1.874 7.682
137 HB2 ASP 23 HB2 ASP 23 40.016 2.999 5.915
138 HB3 ASP 23 HB1 ASP 23 40.025 4.249 7.157
139 H TRP 24 HN TRP 24 36.059 3.883 7.522
140 HA TRP 24 HA TRP 24 36.471 6.118 9.102
141 HB2 TRP 24 HB2 TRP 24 34.004 5.564 9.873
142 HB3 TRP 24 HB1 TRP 24 34.342 6.045 8.214
143 HD1 TRP 24 HD1 TRP 24 35.296 2.560 9.407
144 HE1 TRP 24 HE1 TRP 24 33.824 0.829 8.192
145 HE3 TRP 24 HE3 TRP 24 32.001 5.688 7.074
146 HZ2 TRP 24 HZ2 TRP 24 31.549 0.777 6.456
147 HZ3 TRP 24 HZ3 TRP 24 30.194 4.771 5.647
148 HH2 TRP 24 HH2 TRP 24 29.965 2.323 5.335
149 H LYS 25 HN LYS 25 34.384 3.969 10.788
150 HA LYS 25 HA LYS 25 36.206 4.048 13.098
151 HB2 LYS 25 HB2 LYS 25 34.152 3.443 14.397
152 HB3 LYS 25 HB1 LYS 25 34.020 4.980 13.541
153 HG2 LYS 25 HG2 LYS 25 33.182 2.879 11.778
154 HG3 LYS 25 HG1 LYS 25 32.325 2.705 13.310
155 HD2 LYS 25 HD2 LYS 25 31.594 5.034 13.209
156 HD3 LYS 25 HD1 LYS 25 32.521 5.285 11.729
157 HE2 LYS 25 HE2 LYS 25 31.128 3.762 10.499
158 HE3 LYS 25 HE1 LYS 25 30.330 3.210 11.972
159 HZ1 LYS 25 HZ1 LYS 25 29.942 5.876 12.056
160 HZ2 LYS 25 HZ2 LYS 25 28.815 4.749 11.468
161 HZ3 LYS 25 HZ3 LYS 25 29.843 5.568 10.391
162 H SER 26 HN SER 26 37.534 2.309 12.292
163 HA SER 26 HA SER 26 36.504 -0.293 13.095
164 HB2 SER 26 HB2 SER 26 37.037 0.451 10.275
165 HB3 SER 26 HB1 SER 26 37.673 -1.103 10.805
166 HG SER 26 HG SER 26 34.999 -0.194 11.124
167 H SER 27 HN SER 27 39.244 0.523 11.003
168 HA SER 27 HA SER 27 41.502 0.183 11.267
169 HB2 SER 27 HB2 SER 27 40.850 2.014 13.051
170 HB3 SER 27 HB1 SER 27 41.236 0.733 14.196
171 HG SER 27 HG SER 27 43.286 0.728 13.519
172 H GLY 28 HN GLY 28 39.739 -2.103 11.607
173 HA2 GLY 28 HA2 GLY 28 40.094 -4.354 12.029
174 HA3 GLY 28 HA1 GLY 28 41.643 -3.933 12.757
175 H ALA 29 HN ALA 29 39.329 -1.989 14.118
176 HA ALA 29 HA ALA 29 38.452 -1.889 16.242
177 HB1 ALA 29 HB1 ALA 29 36.898 -3.568 16.762
178 HB2 ALA 29 HB2 ALA 29 37.856 -4.826 15.982
179 HB3 ALA 29 HB3 ALA 29 36.996 -3.638 15.003
180 H LEU 30 HN LEU 30 41.175 -2.165 16.288
181 HA LEU 30 HA LEU 30 41.561 -3.811 18.703
182 HB2 LEU 30 HB2 LEU 30 43.252 -3.795 16.208
183 HB3 LEU 30 HB1 LEU 30 43.912 -4.276 17.771
184 HG LEU 30 HG LEU 30 41.315 -5.505 17.041
185 HD11 LEU 30 HD11 LEU 30 43.898 -6.087 15.573
186 HD12 LEU 30 HD12 LEU 30 42.334 -5.669 14.873
187 HD13 LEU 30 HD13 LEU 30 42.562 -7.236 15.652
188 HD21 LEU 30 HD21 LEU 30 42.773 -5.963 19.098
189 HD22 LEU 30 HD22 LEU 30 43.894 -6.769 17.999
190 HD23 LEU 30 HD23 LEU 30 42.250 -7.382 18.189
191 H ILE 31 HN ILE 31 41.019 -1.237 18.989
192 HA ILE 31 HA ILE 31 43.017 -0.140 20.494
193 HB ILE 31 HB ILE 31 43.616 0.228 17.681
194 HG12 ILE 31 HG12 ILE 31 45.159 -0.421 19.581
195 HG13 ILE 31 HG11 ILE 31 45.766 0.872 18.554
196 HG21 ILE 31 HG21 ILE 31 42.418 2.351 17.808
197 HG22 ILE 31 HG22 ILE 31 44.148 2.656 17.784
198 HG23 ILE 31 HG23 ILE 31 43.261 2.780 19.297
199 HD11 ILE 31 HD11 ILE 31 45.758 2.359 20.259
200 HD12 ILE 31 HD12 ILE 31 45.575 0.960 21.316
201 HD13 ILE 31 HD13 ILE 31 44.154 1.864 20.796
202 HA PRO 32 HA PRO 32 39.716 3.207 19.265
203 HB2 PRO 32 HB2 PRO 32 37.650 1.579 17.931
204 HB3 PRO 32 HB1 PRO 32 38.353 3.129 17.435
205 HG2 PRO 32 HG2 PRO 32 38.880 0.838 16.145
206 HG3 PRO 32 HG1 PRO 32 40.075 2.138 16.302
207 HD2 PRO 32 HD2 PRO 32 39.881 -0.439 17.827
208 HD3 PRO 32 HD1 PRO 32 41.327 0.400 17.220
209 H ALA 33 HN ALA 33 38.559 -0.116 19.788
210 HA ALA 33 HA ALA 33 36.330 0.396 21.365
211 HB1 ALA 33 HB1 ALA 33 37.205 -1.862 22.515
212 HB2 ALA 33 HB2 ALA 33 38.232 -1.872 21.082
213 HB3 ALA 33 HB3 ALA 33 36.476 -1.842 20.909
214 H ILE 34 HN ILE 34 39.709 0.677 22.127
215 HA ILE 34 HA ILE 34 39.290 0.787 24.995
216 HB ILE 34 HB ILE 34 41.710 1.334 23.263
217 HG12 ILE 34 HG12 ILE 34 41.213 -0.913 25.229
218 HG13 ILE 34 HG11 ILE 34 40.780 -1.042 23.524
219 HG21 ILE 34 HG21 ILE 34 41.254 1.517 26.236
220 HG22 ILE 34 HG22 ILE 34 42.105 2.642 25.177
221 HG23 ILE 34 HG23 ILE 34 42.845 1.097 25.599
222 HD11 ILE 34 HD11 ILE 34 43.034 -1.983 23.984
223 HD12 ILE 34 HD12 ILE 34 43.556 -0.401 24.563
224 HD13 ILE 34 HD13 ILE 34 43.101 -0.615 22.872
225 H TYR 35 HN TYR 35 39.688 3.013 22.311
226 HA TYR 35 HA TYR 35 40.120 5.369 23.826
227 HB2 TYR 35 HB2 TYR 35 39.858 4.672 21.088
228 HB3 TYR 35 HB1 TYR 35 38.685 5.948 21.415
229 HD1 TYR 35 HD2 TYR 35 39.525 8.014 22.744
230 HD2 TYR 35 HD1 TYR 35 42.129 5.204 20.801
231 HE1 TYR 35 HE2 TYR 35 41.351 9.692 22.767
232 HE2 TYR 35 HE1 TYR 35 43.955 6.882 20.824
233 HH TYR 35 HH TYR 35 44.615 8.868 21.649
234 H MET 36 HN MET 36 37.192 3.817 22.567
235 HA MET 36 HA MET 36 35.413 5.855 23.504
236 HB2 MET 36 HB2 MET 36 33.642 4.238 22.958
237 HB3 MET 36 HB1 MET 36 34.816 4.356 21.648
238 HG2 MET 36 HG2 MET 36 35.988 2.350 22.603
239 HG3 MET 36 HG1 MET 36 34.674 2.194 23.766
240 HE1 MET 36 HE1 MET 36 34.757 1.533 19.293
241 HE2 MET 36 HE2 MET 36 35.774 2.566 20.292
242 HE3 MET 36 HE3 MET 36 34.221 3.165 19.716
243 H LEU 37 HN LEU 37 36.632 2.811 24.790
244 HA LEU 37 HA LEU 37 34.903 2.398 26.918
245 HB2 LEU 37 HB2 LEU 37 36.751 0.861 26.227
246 HB3 LEU 37 HB1 LEU 37 37.903 1.979 26.951
247 HG LEU 37 HG LEU 37 36.747 1.716 29.144
248 HD11 LEU 37 HD11 LEU 37 34.559 1.059 28.815
249 HD12 LEU 37 HD12 LEU 37 35.285 -0.523 29.095
250 HD13 LEU 37 HD13 LEU 37 34.963 0.019 27.448
251 HD21 LEU 37 HD21 LEU 37 37.598 -0.528 29.605
252 HD22 LEU 37 HD22 LEU 37 38.699 0.301 28.505
253 HD23 LEU 37 HD23 LEU 37 37.582 -0.915 27.885
254 H VAL 38 HN VAL 38 37.429 4.773 26.524
255 HA VAL 38 HA VAL 38 37.063 5.680 29.308
256 HB VAL 38 HB VAL 38 39.144 6.688 27.373
257 HG11 VAL 38 HG11 VAL 38 40.017 7.739 29.194
258 HG12 VAL 38 HG12 VAL 38 39.672 6.380 30.264
259 HG13 VAL 38 HG13 VAL 38 38.400 7.537 29.867
260 HG21 VAL 38 HG21 VAL 38 40.450 4.906 29.010
261 HG22 VAL 38 HG22 VAL 38 39.949 4.558 27.355
262 HG23 VAL 38 HG23 VAL 38 38.929 4.064 28.707
263 H PHE 39 HN PHE 39 35.033 6.133 27.323
264 HA PHE 39 HA PHE 39 35.085 9.086 27.268
265 HB2 PHE 39 HB2 PHE 39 35.513 8.469 25.003
266 HB3 PHE 39 HB1 PHE 39 34.280 7.209 25.044
267 HD1 PHE 39 HD2 PHE 39 34.708 10.906 25.470
268 HD2 PHE 39 HD1 PHE 39 32.093 7.690 24.343
269 HE1 PHE 39 HE2 PHE 39 33.003 12.551 24.734
270 HE2 PHE 39 HE1 PHE 39 30.388 9.334 23.608
271 HZ PHE 39 HZ PHE 39 30.843 11.764 23.803
272 H LEU 40 HN LEU 40 33.168 6.116 27.259
273 HA LEU 40 HA LEU 40 30.641 7.384 27.603
274 HB2 LEU 40 HB2 LEU 40 29.841 5.146 28.220
275 HB3 LEU 40 HB1 LEU 40 30.860 5.071 26.783
276 HG LEU 40 HG LEU 40 32.614 4.830 28.982
277 HD11 LEU 40 HD11 LEU 40 31.694 2.934 30.218
278 HD12 LEU 40 HD12 LEU 40 30.229 2.972 29.236
279 HD13 LEU 40 HD13 LEU 40 30.586 4.301 30.338
280 HD21 LEU 40 HD21 LEU 40 31.464 2.805 27.038
281 HD22 LEU 40 HD22 LEU 40 32.860 2.498 28.070
282 HD23 LEU 40 HD23 LEU 40 32.938 3.749 26.829
283 H LEU 41 HN LEU 41 33.267 6.741 29.719
284 HA LEU 41 HA LEU 41 31.793 6.644 32.173
285 HB2 LEU 41 HB2 LEU 41 34.695 7.359 31.686
286 HB3 LEU 41 HB1 LEU 41 33.982 6.938 33.242
287 HG LEU 41 HG LEU 41 34.055 5.122 30.811
288 HD11 LEU 41 HD11 LEU 41 35.509 3.931 32.833
289 HD12 LEU 41 HD12 LEU 41 35.948 5.632 32.998
290 HD13 LEU 41 HD13 LEU 41 36.200 4.800 31.464
291 HD21 LEU 41 HD21 LEU 41 32.860 4.924 33.557
292 HD22 LEU 41 HD22 LEU 41 33.525 3.466 32.822
293 HD23 LEU 41 HD23 LEU 41 32.226 4.345 32.017
294 H GLY 42 HN GLY 42 33.424 9.191 30.336
295 HA2 GLY 42 HA2 GLY 42 33.238 11.270 32.205
296 HA3 GLY 42 HA1 GLY 42 33.291 11.485 30.458
297 H THR 43 HN THR 43 30.903 10.087 29.820
298 HA THR 43 HA THR 43 28.804 11.613 31.214
299 HB THR 43 HB THR 43 29.441 12.885 29.191
300 HG1 THR 43 HG1 THR 43 27.030 11.908 29.808
301 HG21 THR 43 HG21 THR 43 28.325 10.994 27.280
302 HG22 THR 43 HG22 THR 43 29.756 10.344 28.080
303 HG23 THR 43 HG23 THR 43 29.849 11.879 27.217
304 H THR 44 HN THR 44 27.063 10.690 28.867
305 HA THR 44 HA THR 44 25.722 8.900 28.325
306 HB THR 44 HB THR 44 27.547 6.992 29.734
307 HG1 THR 44 HG1 THR 44 29.157 7.685 28.611
308 HG21 THR 44 HG21 THR 44 26.197 6.923 27.023
309 HG22 THR 44 HG22 THR 44 25.481 6.277 28.499
310 HG23 THR 44 HG23 THR 44 26.965 5.573 27.857
311 H GLY 45 HN GLY 45 27.208 8.024 31.455
312 HA2 GLY 45 HA2 GLY 45 24.626 8.368 32.786
313 HA3 GLY 45 HA1 GLY 45 25.309 6.744 32.790
314 H ASN 46 HN ASN 46 26.575 10.048 33.288
315 HA ASN 46 HA ASN 46 28.284 9.070 35.441
316 HB2 ASN 46 HB2 ASN 46 29.245 11.319 35.410
317 HB3 ASN 46 HB1 ASN 46 29.190 10.653 33.778
318 HD21 ASN 46 HD21 ASN 46 27.347 11.419 32.370
319 HD22 ASN 46 HD22 ASN 46 26.682 12.954 32.657
320 H GLY 47 HN GLY 47 27.831 12.123 36.281
321 HA2 GLY 47 HA2 GLY 47 26.735 11.826 38.733
322 HA3 GLY 47 HA1 GLY 47 26.489 13.284 37.777
323 H LEU 48 HN LEU 48 25.012 11.761 35.695
324 HA LEU 48 HA LEU 48 22.395 12.197 36.599
325 HB2 LEU 48 HB2 LEU 48 23.612 11.515 34.177
326 HB3 LEU 48 HB1 LEU 48 22.542 10.159 34.526
327 HG LEU 48 HG LEU 48 21.311 11.825 33.253
328 HD11 LEU 48 HD11 LEU 48 20.468 10.720 35.614
329 HD12 LEU 48 HD12 LEU 48 19.433 11.632 34.515
330 HD13 LEU 48 HD13 LEU 48 20.169 12.434 35.904
331 HD21 LEU 48 HD21 LEU 48 22.859 13.643 34.809
332 HD22 LEU 48 HD22 LEU 48 21.160 13.968 35.155
333 HD23 LEU 48 HD23 LEU 48 21.748 14.020 33.492
334 H VAL 49 HN VAL 49 24.042 9.082 36.026
335 HA VAL 49 HA VAL 49 22.057 7.416 37.057
336 HB VAL 49 HB VAL 49 25.059 7.023 37.177
337 HG11 VAL 49 HG11 VAL 49 24.324 4.581 37.077
338 HG12 VAL 49 HG12 VAL 49 22.696 5.149 37.448
339 HG13 VAL 49 HG13 VAL 49 24.006 5.410 38.600
340 HG21 VAL 49 HG21 VAL 49 24.818 5.925 35.033
341 HG22 VAL 49 HG22 VAL 49 24.071 7.518 34.901
342 HG23 VAL 49 HG23 VAL 49 23.063 6.085 35.094
343 H LEU 50 HN LEU 50 24.194 9.573 38.671
344 HA LEU 50 HA LEU 50 23.875 8.255 41.259
345 HB2 LEU 50 HB2 LEU 50 25.440 10.632 40.278
346 HB3 LEU 50 HB1 LEU 50 25.229 10.337 42.001
347 HG LEU 50 HG LEU 50 27.339 9.346 41.031
348 HD11 LEU 50 HD11 LEU 50 25.949 6.900 41.807
349 HD12 LEU 50 HD12 LEU 50 25.560 8.242 42.883
350 HD13 LEU 50 HD13 LEU 50 27.239 7.765 42.641
351 HD21 LEU 50 HD21 LEU 50 27.238 7.526 39.509
352 HD22 LEU 50 HD22 LEU 50 26.125 8.726 38.854
353 HD23 LEU 50 HD23 LEU 50 25.500 7.331 39.734
354 H TRP 51 HN TRP 51 22.362 10.674 39.372
355 HA TRP 51 HA TRP 51 21.320 12.294 41.478
356 HB2 TRP 51 HB2 TRP 51 20.701 13.544 39.727
357 HB3 TRP 51 HB1 TRP 51 21.234 12.266 38.636
358 HD1 TRP 51 HD1 TRP 51 19.368 10.274 38.163
359 HE1 TRP 51 HE1 TRP 51 16.814 10.494 37.893
360 HE3 TRP 51 HE3 TRP 51 18.637 14.825 40.363
361 HZ2 TRP 51 HZ2 TRP 51 14.735 12.355 38.527
362 HZ3 TRP 51 HZ3 TRP 51 16.362 15.796 40.516
363 HH2 TRP 51 HH2 TRP 51 14.412 14.569 39.601
364 H THR 52 HN THR 52 20.294 9.331 39.910
365 HA THR 52 HA THR 52 17.635 9.344 40.995
366 HB THR 52 HB THR 52 18.578 8.056 38.927
367 HG1 THR 52 HG1 THR 52 16.990 6.392 39.386
368 HG21 THR 52 HG21 THR 52 20.298 6.926 40.513
369 HG22 THR 52 HG22 THR 52 19.488 5.923 39.310
370 HG23 THR 52 HG23 THR 52 18.950 5.893 40.989
371 H VAL 53 HN VAL 53 20.768 8.248 42.060
372 HA VAL 53 HA VAL 53 19.824 6.492 44.117
373 HB VAL 53 HB VAL 53 22.499 7.887 43.867
374 HG11 VAL 53 HG11 VAL 53 21.576 5.454 45.423
375 HG12 VAL 53 HG12 VAL 53 22.121 6.988 46.101
376 HG13 VAL 53 HG13 VAL 53 23.260 5.946 45.248
377 HG21 VAL 53 HG21 VAL 53 22.194 6.614 41.874
378 HG22 VAL 53 HG22 VAL 53 21.407 5.298 42.747
379 HG23 VAL 53 HG23 VAL 53 23.139 5.576 42.942
380 H PHE 54 HN PHE 54 21.251 9.764 44.195
381 HA PHE 54 HA PHE 54 20.844 10.202 46.951
382 HB2 PHE 54 HB2 PHE 54 22.125 11.947 46.374
383 HB3 PHE 54 HB1 PHE 54 21.749 11.721 44.666
384 HD1 PHE 54 HD2 PHE 54 20.743 13.413 47.789
385 HD2 PHE 54 HD1 PHE 54 19.942 12.943 43.595
386 HE1 PHE 54 HE2 PHE 54 19.278 15.413 47.845
387 HE2 PHE 54 HE1 PHE 54 18.477 14.944 43.650
388 HZ PHE 54 HZ PHE 54 18.146 16.179 45.776
389 H ARG 55 HN ARG 55 18.604 9.897 44.472
390 HA ARG 55 HA ARG 55 16.648 11.768 45.523
391 HB2 ARG 55 HB2 ARG 55 17.047 10.448 43.069
392 HB3 ARG 55 HB1 ARG 55 15.543 9.800 43.725
393 HG2 ARG 55 HG2 ARG 55 15.004 11.778 42.436
394 HG3 ARG 55 HG1 ARG 55 14.789 12.163 44.144
395 HD2 ARG 55 HD2 ARG 55 17.501 12.700 43.542
396 HD3 ARG 55 HD1 ARG 55 16.554 13.394 42.228
397 HE ARG 55 HE ARG 55 16.546 14.240 45.011
398 HH11 ARG 55 HH21 ARG 55 14.970 14.237 41.931
399 HH12 ARG 55 HH22 ARG 55 14.060 15.678 42.240
400 HH21 ARG 55 HH11 ARG 55 15.355 16.130 45.425
401 HH22 ARG 55 HH12 ARG 55 14.277 16.750 44.218
402 H LYS 56 HN LYS 56 16.562 8.238 44.966
403 HA LYS 56 HA LYS 56 14.356 7.723 46.607
404 HB2 LYS 56 HB2 LYS 56 15.273 5.371 46.687
405 HB3 LYS 56 HB1 LYS 56 15.092 6.039 45.064
406 HG2 LYS 56 HG2 LYS 56 17.495 6.682 45.088
407 HG3 LYS 56 HG1 LYS 56 17.659 5.926 46.673
408 HD2 LYS 56 HD2 LYS 56 16.494 3.897 45.295
409 HD3 LYS 56 HD1 LYS 56 17.409 4.671 44.000
410 HE2 LYS 56 HE2 LYS 56 18.956 3.146 44.905
411 HE3 LYS 56 HE1 LYS 56 19.382 4.664 45.696
412 HZ1 LYS 56 HZ1 LYS 56 17.826 2.402 46.800
413 HZ2 LYS 56 HZ2 LYS 56 17.808 3.944 47.514
414 HZ3 LYS 56 HZ3 LYS 56 19.264 3.077 47.395
415 H LYS 57 HN LYS 57 17.794 7.927 47.366
416 HA LYS 57 HA LYS 57 17.332 7.173 50.146
417 HB2 LYS 57 HB2 LYS 57 19.778 7.829 48.516
418 HB3 LYS 57 HB1 LYS 57 19.854 7.720 50.275
419 HG2 LYS 57 HG2 LYS 57 19.459 5.451 50.296
420 HG3 LYS 57 HG1 LYS 57 18.486 5.499 48.826
421 HD2 LYS 57 HD2 LYS 57 20.635 4.370 48.409
422 HD3 LYS 57 HD1 LYS 57 20.534 5.870 47.488
423 HE2 LYS 57 HE2 LYS 57 22.741 5.565 48.639
424 HE3 LYS 57 HE1 LYS 57 21.897 7.031 49.134
425 HZ1 LYS 57 HZ1 LYS 57 21.300 4.645 50.676
426 HZ2 LYS 57 HZ2 LYS 57 21.544 6.245 51.194
427 HZ3 LYS 57 HZ3 LYS 57 22.876 5.249 50.846
428 H GLY 58 HN GLY 58 15.915 9.461 49.370
429 HA2 GLY 58 HA2 GLY 58 17.341 11.846 50.130
430 HA3 GLY 58 HA1 GLY 58 15.609 11.710 49.839
431 H HIS 59 HN HIS 59 18.161 11.141 52.214
432 HA HIS 59 HA HIS 59 16.417 10.458 54.366
433 HB2 HIS 59 HB2 HIS 59 19.108 11.715 54.790
434 HB3 HIS 59 HB1 HIS 59 18.328 10.419 55.697
435 HD2 HIS 59 HD2 HIS 59 20.691 10.842 52.654
436 HE1 HIS 59 HE1 HIS 59 19.635 6.759 52.842
437 HE2 HIS 59 HE2 HIS 59 21.173 8.447 51.732
438 H HIS 60 HN HIS 60 17.937 13.476 53.292
439 HA HIS 60 HA HIS 60 17.224 15.127 55.422
440 HB2 HIS 60 HB2 HIS 60 17.293 15.910 52.499
441 HB3 HIS 60 HB1 HIS 60 17.493 16.981 53.886
442 HD2 HIS 60 HD2 HIS 60 19.676 15.079 55.557
443 HE1 HIS 60 HE1 HIS 60 22.023 15.462 52.069
444 HE2 HIS 60 HE2 HIS 60 22.067 14.851 54.534
445 H HIS 61 HN HIS 61 15.342 14.052 52.641
446 HA HIS 61 HA HIS 61 13.127 15.789 53.043
447 HB2 HIS 61 HB2 HIS 61 13.858 13.678 51.244
448 HB3 HIS 61 HB1 HIS 61 12.227 13.383 51.847
449 HD2 HIS 61 HD2 HIS 61 14.034 16.698 50.521
450 HE1 HIS 61 HE1 HIS 61 10.104 16.523 48.990
451 HE2 HIS 61 HE2 HIS 61 12.249 17.883 49.030
452 H HIS 62 HN HIS 62 13.081 12.248 53.425
453 HA HIS 62 HA HIS 62 10.831 12.150 55.071
454 HB2 HIS 62 HB2 HIS 62 12.418 10.282 53.903
455 HB3 HIS 62 HB1 HIS 62 12.901 10.106 55.591
456 HD2 HIS 62 HD2 HIS 62 9.948 9.148 53.307
457 HE1 HIS 62 HE1 HIS 62 8.691 8.425 57.272
458 HE2 HIS 62 HE2 HIS 62 8.117 8.068 54.824
459 H HIS 63 HN HIS 63 10.567 13.113 56.977
460 HA HIS 63 HA HIS 63 12.560 14.133 58.630
461 HB2 HIS 63 HB2 HIS 63 9.678 13.550 58.888
462 HB3 HIS 63 HB1 HIS 63 10.565 13.619 60.411
463 HD2 HIS 63 HD2 HIS 63 12.368 16.134 60.339
464 HE1 HIS 63 HE1 HIS 63 9.306 18.251 58.348
465 HE2 HIS 63 HE2 HIS 63 11.472 18.489 59.653
466 H HIS 64 HN HIS 64 13.247 13.433 60.766
467 HA HIS 64 HA HIS 64 14.345 10.857 60.798
468 HB2 HIS 64 HB2 HIS 64 14.988 11.320 63.073
469 HB3 HIS 64 HB1 HIS 64 15.126 12.822 62.158
470 HD2 HIS 64 HD2 HIS 64 12.016 13.855 62.300
471 HE1 HIS 64 HE1 HIS 64 12.405 13.410 66.480
472 HE2 HIS 64 HE2 HIS 64 11.029 14.482 64.635
Start of MODEL 22
1 H1 MET 1 HT1 MET 1 21.012 30.805 -23.505
2 H2 MET 1 HT2 MET 1 22.428 31.430 -22.804
3 H3 MET 1 HT3 MET 1 21.151 32.471 -23.220
4 HA MET 1 HA MET 1 21.596 31.248 -20.779
5 HB2 MET 1 HB2 MET 1 19.457 32.925 -22.053
6 HB3 MET 1 HB1 MET 1 19.195 32.280 -20.432
7 HG2 MET 1 HG2 MET 1 21.300 33.305 -19.671
8 HG3 MET 1 HG1 MET 1 21.587 33.934 -21.292
9 HE1 MET 1 HE1 MET 1 22.016 36.045 -20.041
10 HE2 MET 1 HE2 MET 1 20.782 37.302 -20.052
11 HE3 MET 1 HE3 MET 1 21.220 36.494 -21.555
12 H GLU 2 HN GLU 2 20.859 29.442 -19.828
13 HA GLU 2 HA GLU 2 19.916 27.341 -19.674
14 HB2 GLU 2 HB2 GLU 2 17.512 28.968 -20.537
15 HB3 GLU 2 HB1 GLU 2 17.445 27.365 -19.804
16 HG2 GLU 2 HG2 GLU 2 18.126 28.133 -17.724
17 HG3 GLU 2 HG1 GLU 2 18.989 29.512 -18.402
18 H GLU 3 HN GLU 3 21.308 27.455 -21.980
19 HA GLU 3 HA GLU 3 19.551 26.559 -24.151
20 HB2 GLU 3 HB2 GLU 3 22.493 27.234 -24.021
21 HB3 GLU 3 HB1 GLU 3 21.734 26.525 -25.448
22 HG2 GLU 3 HG2 GLU 3 20.401 28.903 -24.245
23 HG3 GLU 3 HG1 GLU 3 21.915 29.182 -25.101
24 H GLY 4 HN GLY 4 19.602 24.841 -21.959
25 HA2 GLY 4 HA2 GLY 4 19.518 22.439 -22.115
26 HA3 GLY 4 HA1 GLY 4 20.950 22.493 -23.137
27 H GLY 5 HN GLY 5 20.416 24.226 -20.098
28 HA2 GLY 5 HA2 GLY 5 22.937 23.243 -19.056
29 HA3 GLY 5 HA1 GLY 5 21.862 24.404 -18.281
30 H ASP 6 HN ASP 6 22.840 22.689 -16.573
31 HA ASP 6 HA ASP 6 21.442 20.204 -16.357
32 HB2 ASP 6 HB2 ASP 6 22.635 19.880 -14.391
33 HB3 ASP 6 HB1 ASP 6 23.696 20.979 -15.271
34 H PHE 7 HN PHE 7 19.727 19.644 -15.022
35 HA PHE 7 HA PHE 7 17.833 21.770 -14.495
36 HB2 PHE 7 HB2 PHE 7 17.695 18.777 -14.066
37 HB3 PHE 7 HB1 PHE 7 16.357 19.888 -13.771
38 HD1 PHE 7 HD1 PHE 7 15.564 21.368 -15.708
39 HD2 PHE 7 HD2 PHE 7 18.141 17.974 -16.243
40 HE1 PHE 7 HE1 PHE 7 14.973 21.299 -18.116
41 HE2 PHE 7 HE2 PHE 7 17.551 17.904 -18.651
42 HZ PHE 7 HZ PHE 7 15.967 19.567 -19.587
43 H ASP 8 HN ASP 8 19.814 22.461 -12.929
44 HA ASP 8 HA ASP 8 20.583 22.733 -10.768
45 HB2 ASP 8 HB2 ASP 8 18.880 23.381 -9.247
46 HB3 ASP 8 HB1 ASP 8 18.277 23.808 -10.847
47 H ASN 9 HN ASN 9 20.713 20.051 -11.695
48 HA ASN 9 HA ASN 9 20.750 18.683 -9.112
49 HB2 ASN 9 HB2 ASN 9 19.159 17.747 -11.498
50 HB3 ASN 9 HB1 ASN 9 19.705 16.639 -10.240
51 HD21 ASN 9 HD21 ASN 9 19.359 18.255 -7.936
52 HD22 ASN 9 HD22 ASN 9 17.706 18.594 -7.748
53 H TYR 10 HN TYR 10 22.965 19.571 -10.318
54 HA TYR 10 HA TYR 10 24.116 17.754 -12.188
55 HB2 TYR 10 HB2 TYR 10 24.768 20.230 -11.546
56 HB3 TYR 10 HB1 TYR 10 25.803 19.421 -10.368
57 HD1 TYR 10 HD1 TYR 10 24.908 19.411 -14.002
58 HD2 TYR 10 HD2 TYR 10 27.876 18.529 -11.025
59 HE1 TYR 10 HE1 TYR 10 26.550 18.905 -15.790
60 HE2 TYR 10 HE2 TYR 10 29.518 18.022 -12.813
61 HH TYR 10 HH TYR 10 29.376 17.255 -15.274
62 H TYR 11 HN TYR 11 22.997 16.310 -10.040
63 HA TYR 11 HA TYR 11 24.777 15.558 -8.018
64 HB2 TYR 11 HB2 TYR 11 23.252 13.937 -7.518
65 HB3 TYR 11 HB1 TYR 11 22.245 14.873 -8.622
66 HD1 TYR 11 HD2 TYR 11 22.356 14.251 -11.140
67 HD2 TYR 11 HD1 TYR 11 23.730 11.683 -7.982
68 HE1 TYR 11 HE2 TYR 11 22.207 12.299 -12.662
69 HE2 TYR 11 HE1 TYR 11 23.580 9.731 -9.506
70 HH TYR 11 HH TYR 11 22.187 9.173 -11.645
71 H GLY 12 HN GLY 12 26.408 14.073 -7.871
72 HA2 GLY 12 HA2 GLY 12 27.016 12.089 -9.785
73 HA3 GLY 12 HA1 GLY 12 27.987 13.520 -10.118
74 H ALA 13 HN ALA 13 26.972 12.626 -6.887
75 HA ALA 13 HA ALA 13 29.760 12.463 -6.058
76 HB1 ALA 13 HB1 ALA 13 27.188 12.313 -4.466
77 HB2 ALA 13 HB2 ALA 13 28.203 13.741 -4.674
78 HB3 ALA 13 HB3 ALA 13 28.810 12.350 -3.774
79 H ASP 14 HN ASP 14 30.133 10.463 -7.308
80 HA ASP 14 HA ASP 14 28.818 8.031 -6.554
81 HB2 ASP 14 HB2 ASP 14 31.538 8.028 -7.787
82 HB3 ASP 14 HB1 ASP 14 30.144 7.008 -8.140
83 H ASN 15 HN ASN 15 29.615 9.291 -4.226
84 HA ASN 15 HA ASN 15 31.333 7.248 -3.076
85 HB2 ASN 15 HB2 ASN 15 32.811 9.170 -3.943
86 HB3 ASN 15 HB1 ASN 15 32.110 10.125 -2.638
87 HD21 ASN 15 HD21 ASN 15 32.881 9.751 -0.509
88 HD22 ASN 15 HD22 ASN 15 34.046 8.575 -0.131
89 H GLN 16 HN GLN 16 28.739 7.418 -2.557
90 HA GLN 16 HA GLN 16 28.292 9.117 -0.221
91 HB2 GLN 16 HB2 GLN 16 25.992 8.051 -0.310
92 HB3 GLN 16 HB1 GLN 16 26.438 9.007 -1.723
93 HG2 GLN 16 HG2 GLN 16 27.043 6.066 -1.677
94 HG3 GLN 16 HG1 GLN 16 25.410 6.612 -2.056
95 HE21 GLN 16 HE21 GLN 16 25.936 8.949 -3.539
96 HE22 GLN 16 HE22 GLN 16 26.778 8.536 -4.954
97 H SER 17 HN SER 17 30.226 7.642 0.621
98 HA SER 17 HA SER 17 29.773 5.022 1.480
99 HB2 SER 17 HB2 SER 17 31.989 5.845 1.632
100 HB3 SER 17 HB1 SER 17 31.490 7.246 2.575
101 HG SER 17 HG SER 17 32.416 5.599 3.876
102 H GLU 18 HN GLU 18 29.798 4.543 3.989
103 HA GLU 18 HA GLU 18 27.253 5.543 4.986
104 HB2 GLU 18 HB2 GLU 18 27.725 3.143 5.118
105 HB3 GLU 18 HB1 GLU 18 29.152 3.467 6.104
106 HG2 GLU 18 HG2 GLU 18 27.921 3.747 7.979
107 HG3 GLU 18 HG1 GLU 18 26.741 4.759 7.148
108 H CYS 19 HN CYS 19 28.861 7.664 4.976
109 HA CYS 19 HA CYS 19 29.871 9.291 6.255
110 HB2 CYS 19 HB2 CYS 19 27.537 8.477 7.493
111 HB3 CYS 19 HB1 CYS 19 28.725 8.399 8.794
112 HG CYS 19 HG CYS 19 28.941 10.879 8.768
113 H GLU 20 HN GLU 20 31.197 6.629 6.055
114 HA GLU 20 HA GLU 20 33.018 5.530 6.925
115 HB2 GLU 20 HB2 GLU 20 33.343 8.328 7.974
116 HB3 GLU 20 HB1 GLU 20 34.490 7.064 8.422
117 HG2 GLU 20 HG2 GLU 20 35.262 8.283 6.422
118 HG3 GLU 20 HG1 GLU 20 34.917 6.597 6.041
119 H TYR 21 HN TYR 21 30.386 6.149 8.649
120 HA TYR 21 HA TYR 21 31.276 5.650 11.335
121 HB2 TYR 21 HB2 TYR 21 29.236 6.802 11.218
122 HB3 TYR 21 HB1 TYR 21 28.594 5.729 9.975
123 HD1 TYR 21 HD1 TYR 21 29.298 6.119 13.569
124 HD2 TYR 21 HD2 TYR 21 27.714 3.522 10.537
125 HE1 TYR 21 HE1 TYR 21 28.279 4.692 15.323
126 HE2 TYR 21 HE2 TYR 21 26.695 2.095 12.292
127 HH TYR 21 HH TYR 21 26.481 1.734 14.469
128 H THR 22 HN THR 22 30.932 3.717 8.604
129 HA THR 22 HA THR 22 30.178 1.286 10.016
130 HB THR 22 HB THR 22 31.063 1.749 7.156
131 HG1 THR 22 HG1 THR 22 28.769 2.148 8.464
132 HG21 THR 22 HG21 THR 22 31.537 -0.514 7.567
133 HG22 THR 22 HG22 THR 22 29.885 -0.564 6.947
134 HG23 THR 22 HG23 THR 22 30.181 -0.692 8.681
135 H ASP 23 HN ASP 23 33.064 2.833 8.744
136 HA ASP 23 HA ASP 23 34.775 0.555 9.086
137 HB2 ASP 23 HB2 ASP 23 35.063 2.726 7.614
138 HB3 ASP 23 HB1 ASP 23 35.827 3.355 9.073
139 H TRP 24 HN TRP 24 33.493 2.959 11.171
140 HA TRP 24 HA TRP 24 35.416 3.321 13.112
141 HB2 TRP 24 HB2 TRP 24 33.682 3.927 14.572
142 HB3 TRP 24 HB1 TRP 24 32.995 4.229 12.977
143 HD1 TRP 24 HD1 TRP 24 32.301 1.247 12.181
144 HE1 TRP 24 HE1 TRP 24 30.351 0.038 13.354
145 HE3 TRP 24 HE3 TRP 24 31.960 4.049 16.437
146 HZ2 TRP 24 HZ2 TRP 24 28.845 0.234 15.778
147 HZ3 TRP 24 HZ3 TRP 24 30.260 3.516 18.159
148 HH2 TRP 24 HH2 TRP 24 28.703 1.613 17.837
149 H LYS 25 HN LYS 25 33.944 0.399 12.168
150 HA LYS 25 HA LYS 25 35.343 -1.021 14.307
151 HB2 LYS 25 HB2 LYS 25 32.365 -1.110 13.865
152 HB3 LYS 25 HB1 LYS 25 33.225 -2.469 14.588
153 HG2 LYS 25 HG2 LYS 25 34.143 -0.953 16.320
154 HG3 LYS 25 HG1 LYS 25 33.236 0.385 15.613
155 HD2 LYS 25 HD2 LYS 25 31.134 -0.993 15.960
156 HD3 LYS 25 HD1 LYS 25 32.117 -2.115 16.901
157 HE2 LYS 25 HE2 LYS 25 31.906 0.849 17.492
158 HE3 LYS 25 HE1 LYS 25 30.944 -0.387 18.301
159 HZ1 LYS 25 HZ1 LYS 25 32.663 -0.402 19.722
160 HZ2 LYS 25 HZ2 LYS 25 33.750 0.269 18.602
161 HZ3 LYS 25 HZ3 LYS 25 33.399 -1.393 18.558
162 H SER 26 HN SER 26 32.832 -2.657 12.631
163 HA SER 26 HA SER 26 32.934 -4.454 11.188
164 HB2 SER 26 HB2 SER 26 33.284 -2.266 9.768
165 HB3 SER 26 HB1 SER 26 34.911 -2.905 9.556
166 HG SER 26 HG SER 26 33.318 -3.589 7.963
167 H SER 27 HN SER 27 35.098 -4.157 13.310
168 HA SER 27 HA SER 27 36.665 -6.423 12.450
169 HB2 SER 27 HB2 SER 27 38.232 -3.958 13.168
170 HB3 SER 27 HB1 SER 27 38.802 -5.444 12.414
171 HG SER 27 HG SER 27 37.847 -3.219 11.268
172 H GLY 28 HN GLY 28 34.811 -5.629 14.607
173 HA2 GLY 28 HA2 GLY 28 34.569 -6.033 16.860
174 HA3 GLY 28 HA1 GLY 28 36.113 -6.875 16.785
175 H ALA 29 HN ALA 29 36.685 -3.885 15.562
176 HA ALA 29 HA ALA 29 37.812 -2.046 16.351
177 HB1 ALA 29 HB1 ALA 29 35.428 -2.252 17.796
178 HB2 ALA 29 HB2 ALA 29 36.469 -0.833 17.678
179 HB3 ALA 29 HB3 ALA 29 36.669 -1.965 19.015
180 H LEU 30 HN LEU 30 39.913 -2.418 16.707
181 HA LEU 30 HA LEU 30 40.798 -4.189 18.828
182 HB2 LEU 30 HB2 LEU 30 42.284 -2.539 16.775
183 HB3 LEU 30 HB1 LEU 30 43.082 -3.559 17.973
184 HG LEU 30 HG LEU 30 40.905 -4.867 16.451
185 HD11 LEU 30 HD11 LEU 30 42.597 -5.286 14.555
186 HD12 LEU 30 HD12 LEU 30 43.450 -3.869 15.166
187 HD13 LEU 30 HD13 LEU 30 41.796 -3.715 14.575
188 HD21 LEU 30 HD21 LEU 30 43.759 -5.767 16.850
189 HD22 LEU 30 HD22 LEU 30 42.310 -6.756 16.675
190 HD23 LEU 30 HD23 LEU 30 42.585 -5.854 18.164
191 H ILE 31 HN ILE 31 42.242 -1.068 18.012
192 HA ILE 31 HA ILE 31 42.618 -0.492 20.819
193 HB ILE 31 HB ILE 31 43.526 0.737 18.250
194 HG12 ILE 31 HG12 ILE 31 44.662 -1.084 19.807
195 HG13 ILE 31 HG11 ILE 31 45.632 0.168 19.036
196 HG21 ILE 31 HG21 ILE 31 42.872 2.739 19.324
197 HG22 ILE 31 HG22 ILE 31 44.572 2.560 19.753
198 HG23 ILE 31 HG23 ILE 31 43.319 2.135 20.919
199 HD11 ILE 31 HD11 ILE 31 44.450 0.592 21.780
200 HD12 ILE 31 HD12 ILE 31 45.810 1.425 21.027
201 HD13 ILE 31 HD13 ILE 31 45.987 -0.243 21.569
202 HA PRO 32 HA PRO 32 39.540 3.086 19.429
203 HB2 PRO 32 HB2 PRO 32 37.613 1.370 17.961
204 HB3 PRO 32 HB1 PRO 32 38.176 3.010 17.588
205 HG2 PRO 32 HG2 PRO 32 38.972 0.891 16.175
206 HG3 PRO 32 HG1 PRO 32 40.044 2.265 16.494
207 HD2 PRO 32 HD2 PRO 32 40.027 -0.449 17.760
208 HD3 PRO 32 HD1 PRO 32 41.402 0.607 17.368
209 H ALA 33 HN ALA 33 39.036 -0.187 20.380
210 HA ALA 33 HA ALA 33 36.496 0.099 21.642
211 HB1 ALA 33 HB1 ALA 33 38.435 -1.876 22.715
212 HB2 ALA 33 HB2 ALA 33 38.009 -2.034 21.010
213 HB3 ALA 33 HB3 ALA 33 36.749 -2.090 22.243
214 H ILE 34 HN ILE 34 39.841 0.438 22.744
215 HA ILE 34 HA ILE 34 39.018 0.997 25.475
216 HB ILE 34 HB ILE 34 41.717 1.061 24.109
217 HG12 ILE 34 HG12 ILE 34 40.833 -0.822 26.281
218 HG13 ILE 34 HG11 ILE 34 40.368 -1.139 24.608
219 HG21 ILE 34 HG21 ILE 34 42.327 0.974 26.711
220 HG22 ILE 34 HG22 ILE 34 40.802 1.850 26.842
221 HG23 ILE 34 HG23 ILE 34 42.116 2.507 25.866
222 HD11 ILE 34 HD11 ILE 34 43.229 -0.478 25.195
223 HD12 ILE 34 HD12 ILE 34 42.555 -1.495 23.922
224 HD13 ILE 34 HD13 ILE 34 42.643 -2.097 25.577
225 H TYR 35 HN TYR 35 39.535 2.738 22.572
226 HA TYR 35 HA TYR 35 40.257 5.254 23.753
227 HB2 TYR 35 HB2 TYR 35 40.418 4.293 21.241
228 HB3 TYR 35 HB1 TYR 35 38.914 5.204 21.109
229 HD1 TYR 35 HD1 TYR 35 42.521 5.435 21.934
230 HD2 TYR 35 HD2 TYR 35 38.886 7.608 21.215
231 HE1 TYR 35 HE1 TYR 35 43.810 7.548 21.801
232 HE2 TYR 35 HE2 TYR 35 40.177 9.722 21.082
233 HH TYR 35 HH TYR 35 42.169 10.675 21.324
234 H MET 36 HN MET 36 37.255 3.681 22.795
235 HA MET 36 HA MET 36 35.661 6.049 23.336
236 HB2 MET 36 HB2 MET 36 34.995 3.218 22.528
237 HB3 MET 36 HB1 MET 36 33.751 4.403 22.933
238 HG2 MET 36 HG2 MET 36 34.244 5.751 21.095
239 HG3 MET 36 HG1 MET 36 35.892 5.135 20.960
240 HE1 MET 36 HE1 MET 36 36.545 3.819 19.098
241 HE2 MET 36 HE2 MET 36 35.486 5.028 18.375
242 HE3 MET 36 HE3 MET 36 35.402 3.354 17.830
243 H LEU 37 HN LEU 37 36.480 3.003 24.896
244 HA LEU 37 HA LEU 37 34.572 2.994 26.944
245 HB2 LEU 37 HB2 LEU 37 36.866 1.501 26.265
246 HB3 LEU 37 HB1 LEU 37 37.117 2.059 27.919
247 HG LEU 37 HG LEU 37 34.810 1.234 28.478
248 HD11 LEU 37 HD11 LEU 37 33.420 0.567 26.839
249 HD12 LEU 37 HD12 LEU 37 34.596 -0.625 26.286
250 HD13 LEU 37 HD13 LEU 37 34.647 1.022 25.658
251 HD21 LEU 37 HD21 LEU 37 36.851 -0.726 27.389
252 HD22 LEU 37 HD22 LEU 37 35.455 -1.212 28.352
253 HD23 LEU 37 HD23 LEU 37 36.690 -0.166 29.054
254 H VAL 38 HN VAL 38 36.795 5.354 26.296
255 HA VAL 38 HA VAL 38 36.995 6.176 29.131
256 HB VAL 38 HB VAL 38 38.750 6.859 26.764
257 HG11 VAL 38 HG11 VAL 38 38.865 8.827 27.977
258 HG12 VAL 38 HG12 VAL 38 40.086 7.880 28.827
259 HG13 VAL 38 HG13 VAL 38 38.464 8.034 29.501
260 HG21 VAL 38 HG21 VAL 38 39.173 5.266 29.310
261 HG22 VAL 38 HG22 VAL 38 40.478 5.747 28.227
262 HG23 VAL 38 HG23 VAL 38 39.218 4.654 27.656
263 H PHE 39 HN PHE 39 35.414 6.794 26.245
264 HA PHE 39 HA PHE 39 35.062 9.659 26.831
265 HB2 PHE 39 HB2 PHE 39 35.126 9.882 24.606
266 HB3 PHE 39 HB1 PHE 39 35.236 8.133 24.413
267 HD1 PHE 39 HD2 PHE 39 33.204 6.760 24.139
268 HD2 PHE 39 HD1 PHE 39 33.004 11.042 24.416
269 HE1 PHE 39 HE2 PHE 39 30.880 6.709 23.274
270 HE2 PHE 39 HE1 PHE 39 30.681 10.990 23.551
271 HZ PHE 39 HZ PHE 39 29.618 8.823 22.980
272 H LEU 40 HN LEU 40 33.459 6.598 26.935
273 HA LEU 40 HA LEU 40 30.848 7.894 27.355
274 HB2 LEU 40 HB2 LEU 40 29.919 5.613 27.145
275 HB3 LEU 40 HB1 LEU 40 30.857 6.075 25.726
276 HG LEU 40 HG LEU 40 32.778 4.943 27.348
277 HD11 LEU 40 HD11 LEU 40 30.795 4.229 28.826
278 HD12 LEU 40 HD12 LEU 40 31.916 2.960 28.336
279 HD13 LEU 40 HD13 LEU 40 30.364 3.132 27.515
280 HD21 LEU 40 HD21 LEU 40 31.027 3.691 25.211
281 HD22 LEU 40 HD22 LEU 40 32.523 2.969 25.802
282 HD23 LEU 40 HD23 LEU 40 32.563 4.522 24.968
283 H LEU 41 HN LEU 41 33.452 6.992 29.145
284 HA LEU 41 HA LEU 41 31.903 5.917 31.387
285 HB2 LEU 41 HB2 LEU 41 33.819 4.948 32.101
286 HB3 LEU 41 HB1 LEU 41 34.381 5.262 30.464
287 HG LEU 41 HG LEU 41 34.870 7.005 32.906
288 HD11 LEU 41 HD11 LEU 41 37.210 6.213 31.465
289 HD12 LEU 41 HD12 LEU 41 36.243 4.776 31.797
290 HD13 LEU 41 HD13 LEU 41 36.754 5.819 33.122
291 HD21 LEU 41 HD21 LEU 41 36.482 7.809 30.735
292 HD22 LEU 41 HD22 LEU 41 35.149 8.715 31.448
293 HD23 LEU 41 HD23 LEU 41 34.856 7.652 30.072
294 H GLY 42 HN GLY 42 32.846 8.883 30.181
295 HA2 GLY 42 HA2 GLY 42 33.011 10.140 32.841
296 HA3 GLY 42 HA1 GLY 42 33.476 10.894 31.319
297 H THR 43 HN THR 43 31.112 10.061 29.876
298 HA THR 43 HA THR 43 29.190 11.970 31.043
299 HB THR 43 HB THR 43 30.025 12.495 28.778
300 HG1 THR 43 HG1 THR 43 27.876 13.019 29.358
301 HG21 THR 43 HG21 THR 43 28.570 10.412 27.382
302 HG22 THR 43 HG22 THR 43 29.812 9.719 28.425
303 HG23 THR 43 HG23 THR 43 30.253 10.907 27.200
304 H THR 44 HN THR 44 27.276 10.789 28.970
305 HA THR 44 HA THR 44 25.357 9.518 29.220
306 HB THR 44 HB THR 44 27.598 7.505 29.473
307 HG1 THR 44 HG1 THR 44 25.916 8.116 27.287
308 HG21 THR 44 HG21 THR 44 25.549 6.093 28.447
309 HG22 THR 44 HG22 THR 44 24.641 7.206 29.471
310 HG23 THR 44 HG23 THR 44 25.877 6.166 30.178
311 H GLY 45 HN GLY 45 27.186 7.377 31.275
312 HA2 GLY 45 HA2 GLY 45 25.961 8.377 33.721
313 HA3 GLY 45 HA1 GLY 45 25.413 6.789 33.192
314 H ASN 46 HN ASN 46 27.052 5.107 32.909
315 HA ASN 46 HA ASN 46 28.629 3.791 33.979
316 HB2 ASN 46 HB2 ASN 46 29.865 6.006 32.580
317 HB3 ASN 46 HB1 ASN 46 30.866 5.476 33.930
318 HD21 ASN 46 HD21 ASN 46 29.827 4.675 30.726
319 HD22 ASN 46 HD22 ASN 46 30.568 3.150 30.642
320 H GLY 47 HN GLY 47 27.948 3.634 36.102
321 HA2 GLY 47 HA2 GLY 47 29.363 4.001 38.244
322 HA3 GLY 47 HA1 GLY 47 28.887 5.679 38.003
323 H LEU 48 HN LEU 48 26.316 5.634 37.335
324 HA LEU 48 HA LEU 48 25.027 4.430 39.693
325 HB2 LEU 48 HB2 LEU 48 24.678 6.924 38.178
326 HB3 LEU 48 HB1 LEU 48 23.164 6.111 38.566
327 HG LEU 48 HG LEU 48 23.933 7.739 40.328
328 HD11 LEU 48 HD11 LEU 48 22.982 5.062 40.636
329 HD12 LEU 48 HD12 LEU 48 22.708 6.444 41.695
330 HD13 LEU 48 HD13 LEU 48 24.100 5.395 41.958
331 HD21 LEU 48 HD21 LEU 48 25.981 7.585 41.310
332 HD22 LEU 48 HD22 LEU 48 26.409 6.656 39.874
333 HD23 LEU 48 HD23 LEU 48 25.931 5.822 41.352
334 H VAL 49 HN VAL 49 25.378 3.987 36.375
335 HA VAL 49 HA VAL 49 22.731 2.929 35.859
336 HB VAL 49 HB VAL 49 25.298 2.996 34.271
337 HG11 VAL 49 HG11 VAL 49 24.432 1.047 33.388
338 HG12 VAL 49 HG12 VAL 49 23.510 2.215 32.443
339 HG13 VAL 49 HG13 VAL 49 22.778 1.447 33.853
340 HG21 VAL 49 HG21 VAL 49 22.655 4.140 33.437
341 HG22 VAL 49 HG22 VAL 49 24.284 4.711 33.073
342 HG23 VAL 49 HG23 VAL 49 23.588 4.989 34.670
343 H LEU 50 HN LEU 50 25.969 1.439 35.656
344 HA LEU 50 HA LEU 50 25.200 -1.205 35.569
345 HB2 LEU 50 HB2 LEU 50 27.475 -1.249 37.189
346 HB3 LEU 50 HB1 LEU 50 27.433 -1.359 35.432
347 HG LEU 50 HG LEU 50 27.635 1.077 35.246
348 HD11 LEU 50 HD11 LEU 50 26.888 0.934 38.054
349 HD12 LEU 50 HD12 LEU 50 26.890 2.330 36.976
350 HD13 LEU 50 HD13 LEU 50 28.360 1.880 37.840
351 HD21 LEU 50 HD21 LEU 50 29.858 0.754 35.342
352 HD22 LEU 50 HD22 LEU 50 29.596 -0.693 36.315
353 HD23 LEU 50 HD23 LEU 50 29.809 0.872 37.101
354 H TRP 51 HN TRP 51 24.714 0.979 38.106
355 HA TRP 51 HA TRP 51 24.822 -0.827 40.318
356 HB2 TRP 51 HB2 TRP 51 24.699 1.152 41.362
357 HB3 TRP 51 HB1 TRP 51 24.207 1.957 39.872
358 HD1 TRP 51 HD1 TRP 51 21.541 1.897 39.292
359 HE1 TRP 51 HE1 TRP 51 19.508 1.881 40.878
360 HE3 TRP 51 HE3 TRP 51 23.808 0.405 43.618
361 HZ2 TRP 51 HZ2 TRP 51 18.922 1.310 43.619
362 HZ3 TRP 51 HZ3 TRP 51 22.491 0.134 45.699
363 HH2 TRP 51 HH2 TRP 51 20.052 0.583 45.705
364 H THR 52 HN THR 52 22.276 0.249 38.115
365 HA THR 52 HA THR 52 20.129 -1.028 39.485
366 HB THR 52 HB THR 52 20.084 0.826 37.645
367 HG1 THR 52 HG1 THR 52 18.098 -0.828 36.944
368 HG21 THR 52 HG21 THR 52 19.688 -1.563 35.857
369 HG22 THR 52 HG22 THR 52 21.287 -0.847 36.055
370 HG23 THR 52 HG23 THR 52 19.962 0.121 35.408
371 H VAL 53 HN VAL 53 22.558 -2.115 37.258
372 HA VAL 53 HA VAL 53 21.192 -4.488 36.400
373 HB VAL 53 HB VAL 53 24.094 -3.646 36.308
374 HG11 VAL 53 HG11 VAL 53 22.724 -6.203 35.536
375 HG12 VAL 53 HG12 VAL 53 24.317 -5.964 36.256
376 HG13 VAL 53 HG13 VAL 53 24.060 -5.614 34.547
377 HG21 VAL 53 HG21 VAL 53 22.601 -2.376 34.845
378 HG22 VAL 53 HG22 VAL 53 21.893 -3.869 34.228
379 HG23 VAL 53 HG23 VAL 53 23.575 -3.475 33.868
380 H PHE 54 HN PHE 54 24.000 -3.995 38.555
381 HA PHE 54 HA PHE 54 24.230 -6.593 39.504
382 HB2 PHE 54 HB2 PHE 54 25.231 -3.994 40.231
383 HB3 PHE 54 HB1 PHE 54 24.801 -4.896 41.685
384 HD1 PHE 54 HD1 PHE 54 25.626 -7.348 41.847
385 HD2 PHE 54 HD2 PHE 54 27.235 -4.469 39.096
386 HE1 PHE 54 HE1 PHE 54 27.671 -8.728 41.598
387 HE2 PHE 54 HE2 PHE 54 29.280 -5.849 38.846
388 HZ PHE 54 HZ PHE 54 29.499 -7.979 40.098
389 H ARG 55 HN ARG 55 21.646 -4.471 39.909
390 HA ARG 55 HA ARG 55 20.783 -5.592 42.470
391 HB2 ARG 55 HB2 ARG 55 19.656 -3.450 40.662
392 HB3 ARG 55 HB1 ARG 55 18.813 -4.034 42.097
393 HG2 ARG 55 HG2 ARG 55 21.621 -3.403 42.626
394 HG3 ARG 55 HG1 ARG 55 20.708 -2.006 42.053
395 HD2 ARG 55 HD2 ARG 55 20.630 -2.269 44.539
396 HD3 ARG 55 HD1 ARG 55 19.038 -2.317 43.787
397 HE ARG 55 HE ARG 55 19.988 -4.955 43.970
398 HH11 ARG 55 HH21 ARG 55 19.042 -2.306 45.988
399 HH12 ARG 55 HH22 ARG 55 18.488 -3.313 47.284
400 HH21 ARG 55 HH11 ARG 55 19.264 -6.280 45.666
401 HH22 ARG 55 HH12 ARG 55 18.614 -5.563 47.103
402 H LYS 56 HN LYS 56 19.338 -5.185 39.226
403 HA LYS 56 HA LYS 56 17.173 -6.903 39.572
404 HB2 LYS 56 HB2 LYS 56 18.733 -6.448 37.017
405 HB3 LYS 56 HB1 LYS 56 17.069 -7.019 37.141
406 HG2 LYS 56 HG2 LYS 56 17.355 -4.598 38.670
407 HG3 LYS 56 HG1 LYS 56 17.963 -4.331 37.035
408 HD2 LYS 56 HD2 LYS 56 15.858 -5.283 36.120
409 HD3 LYS 56 HD1 LYS 56 15.247 -5.465 37.765
410 HE2 LYS 56 HE2 LYS 56 15.832 -2.911 37.966
411 HE3 LYS 56 HE1 LYS 56 15.752 -2.950 36.203
412 HZ1 LYS 56 HZ1 LYS 56 13.577 -2.621 36.578
413 HZ2 LYS 56 HZ2 LYS 56 13.634 -3.227 38.164
414 HZ3 LYS 56 HZ3 LYS 56 13.545 -4.296 36.846
415 H LYS 57 HN LYS 57 20.376 -7.643 38.183
416 HA LYS 57 HA LYS 57 19.807 -10.462 38.008
417 HB2 LYS 57 HB2 LYS 57 22.277 -8.785 37.592
418 HB3 LYS 57 HB1 LYS 57 22.333 -10.547 37.538
419 HG2 LYS 57 HG2 LYS 57 22.006 -9.590 35.280
420 HG3 LYS 57 HG1 LYS 57 20.620 -10.563 35.773
421 HD2 LYS 57 HD2 LYS 57 19.271 -8.685 36.157
422 HD3 LYS 57 HD1 LYS 57 20.656 -7.606 36.322
423 HE2 LYS 57 HE2 LYS 57 20.894 -7.338 34.058
424 HE3 LYS 57 HE1 LYS 57 20.367 -8.984 33.704
425 HZ1 LYS 57 HZ1 LYS 57 18.307 -8.280 33.373
426 HZ2 LYS 57 HZ2 LYS 57 18.870 -6.681 33.494
427 HZ3 LYS 57 HZ3 LYS 57 18.264 -7.477 34.867
428 H GLY 58 HN GLY 58 19.250 -9.782 40.571
429 HA2 GLY 58 HA2 GLY 58 21.587 -10.512 42.199
430 HA3 GLY 58 HA1 GLY 58 20.071 -9.852 42.806
431 H HIS 59 HN HIS 59 18.331 -11.218 43.198
432 HA HIS 59 HA HIS 59 19.021 -14.081 43.300
433 HB2 HIS 59 HB2 HIS 59 17.522 -12.261 45.022
434 HB3 HIS 59 HB1 HIS 59 16.640 -13.748 44.673
435 HD2 HIS 59 HD2 HIS 59 20.564 -13.469 45.288
436 HE1 HIS 59 HE1 HIS 59 18.905 -16.131 48.113
437 HE2 HIS 59 HE2 HIS 59 21.068 -15.125 47.243
438 H HIS 60 HN HIS 60 15.852 -12.504 43.172
439 HA HIS 60 HA HIS 60 15.292 -13.856 40.633
440 HB2 HIS 60 HB2 HIS 60 14.259 -14.647 43.175
441 HB3 HIS 60 HB1 HIS 60 12.936 -13.985 42.214
442 HD2 HIS 60 HD2 HIS 60 11.971 -15.751 40.315
443 HE1 HIS 60 HE1 HIS 60 15.227 -18.440 40.306
444 HE2 HIS 60 HE2 HIS 60 12.903 -18.003 39.376
445 H HIS 61 HN HIS 61 13.187 -13.077 39.683
446 HA HIS 61 HA HIS 61 13.056 -10.166 39.989
447 HB2 HIS 61 HB2 HIS 61 12.793 -11.995 37.800
448 HB3 HIS 61 HB1 HIS 61 11.299 -11.071 37.953
449 HD2 HIS 61 HD2 HIS 61 15.033 -9.752 38.441
450 HE1 HIS 61 HE1 HIS 61 13.052 -7.325 35.611
451 HE2 HIS 61 HE2 HIS 61 15.216 -7.652 36.900
452 H HIS 62 HN HIS 62 11.465 -9.195 41.065
453 HA HIS 62 HA HIS 62 9.481 -10.564 42.491
454 HB2 HIS 62 HB2 HIS 62 10.392 -8.140 42.765
455 HB3 HIS 62 HB1 HIS 62 9.120 -7.710 41.621
456 HD2 HIS 62 HD2 HIS 62 9.439 -9.099 45.298
457 HE1 HIS 62 HE1 HIS 62 5.395 -8.114 44.593
458 HE2 HIS 62 HE2 HIS 62 7.065 -8.857 46.356
459 H HIS 63 HN HIS 63 8.143 -11.896 41.361
460 HA HIS 63 HA HIS 63 6.021 -10.691 39.850
461 HB2 HIS 63 HB2 HIS 63 7.420 -10.768 37.968
462 HB3 HIS 63 HB1 HIS 63 8.151 -12.295 38.462
463 HD2 HIS 63 HD2 HIS 63 4.232 -11.940 38.372
464 HE1 HIS 63 HE1 HIS 63 5.393 -14.552 35.266
465 HE2 HIS 63 HE2 HIS 63 3.408 -13.582 36.517
466 H HIS 64 HN HIS 64 4.862 -11.695 41.576
467 HA HIS 64 HA HIS 64 3.667 -13.382 42.584
468 HB2 HIS 64 HB2 HIS 64 3.821 -14.128 39.704
469 HB3 HIS 64 HB1 HIS 64 3.222 -15.344 40.831
470 HD2 HIS 64 HD2 HIS 64 0.587 -14.951 41.617
471 HE1 HIS 64 HE1 HIS 64 0.141 -11.014 40.161
472 HE2 HIS 64 HE2 HIS 64 -1.071 -12.971 41.235
Start of MODEL 23
1 H1 MET 1 HT1 MET 1 53.446 -23.397 27.591
2 H2 MET 1 HT2 MET 1 54.694 -24.369 28.210
3 H3 MET 1 HT3 MET 1 55.051 -22.851 27.535
4 HA MET 1 HA MET 1 53.228 -22.265 29.473
5 HB2 MET 1 HB2 MET 1 55.259 -24.241 30.553
6 HB3 MET 1 HB1 MET 1 54.007 -23.401 31.469
7 HG2 MET 1 HG2 MET 1 52.829 -25.326 31.102
8 HG3 MET 1 HG1 MET 1 52.486 -24.567 29.547
9 HE1 MET 1 HE1 MET 1 54.685 -26.666 31.640
10 HE2 MET 1 HE2 MET 1 55.310 -27.951 30.610
11 HE3 MET 1 HE3 MET 1 53.598 -27.918 31.022
12 H GLU 2 HN GLU 2 56.651 -22.975 28.861
13 HA GLU 2 HA GLU 2 57.332 -20.182 29.201
14 HB2 GLU 2 HB2 GLU 2 59.244 -21.128 30.852
15 HB3 GLU 2 HB1 GLU 2 57.718 -20.458 31.431
16 HG2 GLU 2 HG2 GLU 2 56.739 -22.649 31.625
17 HG3 GLU 2 HG1 GLU 2 58.110 -23.394 30.803
18 H GLU 3 HN GLU 3 58.667 -19.775 27.570
19 HA GLU 3 HA GLU 3 60.405 -19.969 26.077
20 HB2 GLU 3 HB2 GLU 3 61.462 -20.975 28.318
21 HB3 GLU 3 HB1 GLU 3 61.454 -22.448 27.348
22 HG2 GLU 3 HG2 GLU 3 62.710 -19.798 26.575
23 HG3 GLU 3 HG1 GLU 3 63.572 -21.269 27.026
24 H GLY 4 HN GLY 4 59.489 -20.527 24.184
25 HA2 GLY 4 HA2 GLY 4 59.851 -22.698 22.733
26 HA3 GLY 4 HA1 GLY 4 58.543 -23.270 23.764
27 H GLY 5 HN GLY 5 57.274 -20.636 23.930
28 HA2 GLY 5 HA2 GLY 5 55.707 -19.364 22.823
29 HA3 GLY 5 HA1 GLY 5 56.633 -19.642 21.352
30 H ASP 6 HN ASP 6 55.460 -20.557 19.803
31 HA ASP 6 HA ASP 6 53.834 -22.900 20.390
32 HB2 ASP 6 HB2 ASP 6 52.457 -20.674 20.630
33 HB3 ASP 6 HB1 ASP 6 52.478 -20.707 18.867
34 H PHE 7 HN PHE 7 53.106 -23.987 18.427
35 HA PHE 7 HA PHE 7 54.408 -23.127 15.942
36 HB2 PHE 7 HB2 PHE 7 54.860 -25.807 17.271
37 HB3 PHE 7 HB1 PHE 7 55.306 -25.437 15.606
38 HD1 PHE 7 HD1 PHE 7 56.830 -23.381 15.213
39 HD2 PHE 7 HD2 PHE 7 56.322 -25.271 19.036
40 HE1 PHE 7 HE1 PHE 7 58.941 -22.347 16.004
41 HE2 PHE 7 HE2 PHE 7 58.432 -24.237 19.827
42 HZ PHE 7 HZ PHE 7 59.741 -22.775 18.312
43 H ASP 8 HN ASP 8 51.999 -22.724 15.710
44 HA ASP 8 HA ASP 8 50.853 -24.962 14.248
45 HB2 ASP 8 HB2 ASP 8 49.598 -23.831 16.746
46 HB3 ASP 8 HB1 ASP 8 48.643 -24.640 15.504
47 H ASN 9 HN ASN 9 51.700 -22.887 12.946
48 HA ASN 9 HA ASN 9 49.257 -21.455 12.185
49 HB2 ASN 9 HB2 ASN 9 50.671 -20.072 13.827
50 HB3 ASN 9 HB1 ASN 9 51.844 -19.948 12.517
51 HD21 ASN 9 HD21 ASN 9 51.496 -17.680 12.104
52 HD22 ASN 9 HD22 ASN 9 50.033 -17.090 11.479
53 H TYR 10 HN TYR 10 50.356 -23.568 10.824
54 HA TYR 10 HA TYR 10 52.294 -22.978 8.891
55 HB2 TYR 10 HB2 TYR 10 49.917 -24.845 8.765
56 HB3 TYR 10 HB1 TYR 10 51.218 -24.816 7.576
57 HD1 TYR 10 HD2 TYR 10 53.574 -25.319 8.293
58 HD2 TYR 10 HD1 TYR 10 50.208 -25.878 10.901
59 HE1 TYR 10 HE2 TYR 10 54.952 -26.765 9.763
60 HE2 TYR 10 HE1 TYR 10 51.586 -27.324 12.372
61 HH TYR 10 HH TYR 10 53.532 -28.470 12.518
62 H TYR 11 HN TYR 11 51.755 -20.744 8.357
63 HA TYR 11 HA TYR 11 49.383 -19.918 7.118
64 HB2 TYR 11 HB2 TYR 11 50.543 -17.974 6.495
65 HB3 TYR 11 HB1 TYR 11 51.401 -18.518 7.936
66 HD1 TYR 11 HD1 TYR 11 53.536 -19.834 7.689
67 HD2 TYR 11 HD2 TYR 11 51.618 -17.904 4.365
68 HE1 TYR 11 HE1 TYR 11 55.635 -20.005 6.379
69 HE2 TYR 11 HE2 TYR 11 53.716 -18.076 3.054
70 HH TYR 11 HH TYR 11 56.046 -20.043 3.566
71 H GLY 12 HN GLY 12 48.530 -20.262 5.164
72 HA2 GLY 12 HA2 GLY 12 50.044 -21.876 3.242
73 HA3 GLY 12 HA1 GLY 12 48.308 -21.584 3.215
74 H ALA 13 HN ALA 13 47.685 -20.374 1.554
75 HA ALA 13 HA ALA 13 48.826 -17.828 0.977
76 HB1 ALA 13 HB1 ALA 13 50.570 -19.308 -0.024
77 HB2 ALA 13 HB2 ALA 13 49.771 -18.275 -1.208
78 HB3 ALA 13 HB3 ALA 13 49.335 -19.980 -1.088
79 H ASP 14 HN ASP 14 46.284 -18.398 1.555
80 HA ASP 14 HA ASP 14 44.914 -17.955 -1.013
81 HB2 ASP 14 HB2 ASP 14 44.017 -19.886 1.139
82 HB3 ASP 14 HB1 ASP 14 43.044 -19.403 -0.249
83 H ASN 15 HN ASN 15 45.693 -15.980 0.784
84 HA ASN 15 HA ASN 15 43.063 -15.013 1.678
85 HB2 ASN 15 HB2 ASN 15 43.646 -14.722 3.852
86 HB3 ASN 15 HB1 ASN 15 44.800 -16.009 3.510
87 HD21 ASN 15 HD21 ASN 15 46.892 -14.911 2.259
88 HD22 ASN 15 HD22 ASN 15 47.534 -13.584 3.101
89 H GLN 16 HN GLN 16 45.340 -14.525 -0.419
90 HA GLN 16 HA GLN 16 46.425 -11.975 -0.004
91 HB2 GLN 16 HB2 GLN 16 46.670 -13.833 -1.954
92 HB3 GLN 16 HB1 GLN 16 45.636 -12.662 -2.774
93 HG2 GLN 16 HG2 GLN 16 47.826 -11.916 -3.252
94 HG3 GLN 16 HG1 GLN 16 47.303 -10.882 -1.924
95 HE21 GLN 16 HE21 GLN 16 47.696 -13.787 -0.444
96 HE22 GLN 16 HE22 GLN 16 49.327 -13.670 0.012
97 H SER 17 HN SER 17 43.226 -12.792 -0.146
98 HA SER 17 HA SER 17 42.348 -10.351 -1.509
99 HB2 SER 17 HB2 SER 17 41.250 -12.664 -1.801
100 HB3 SER 17 HB1 SER 17 40.558 -12.393 -0.205
101 HG SER 17 HG SER 17 40.337 -10.222 -1.836
102 H GLU 18 HN GLU 18 42.985 -8.749 -0.047
103 HA GLU 18 HA GLU 18 41.188 -8.411 2.215
104 HB2 GLU 18 HB2 GLU 18 43.837 -9.410 2.595
105 HB3 GLU 18 HB1 GLU 18 43.769 -7.764 3.228
106 HG2 GLU 18 HG2 GLU 18 41.813 -8.325 4.578
107 HG3 GLU 18 HG1 GLU 18 41.773 -9.949 3.891
108 H CYS 19 HN CYS 19 41.675 -6.233 3.308
109 HA CYS 19 HA CYS 19 43.177 -4.202 2.190
110 HB2 CYS 19 HB2 CYS 19 40.810 -4.877 0.589
111 HB3 CYS 19 HB1 CYS 19 40.909 -3.172 1.031
112 HG CYS 19 HG CYS 19 43.539 -4.308 -0.075
113 H GLU 20 HN GLU 20 40.247 -5.234 3.750
114 HA GLU 20 HA GLU 20 40.512 -3.359 5.858
115 HB2 GLU 20 HB2 GLU 20 38.351 -2.115 5.387
116 HB3 GLU 20 HB1 GLU 20 39.715 -1.682 4.354
117 HG2 GLU 20 HG2 GLU 20 38.882 -3.199 2.602
118 HG3 GLU 20 HG1 GLU 20 37.523 -3.648 3.632
119 H TYR 21 HN TYR 21 38.505 -5.576 4.027
120 HA TYR 21 HA TYR 21 36.414 -6.061 5.766
121 HB2 TYR 21 HB2 TYR 21 35.973 -7.564 4.168
122 HB3 TYR 21 HB1 TYR 21 37.606 -7.380 3.529
123 HD1 TYR 21 HD1 TYR 21 39.498 -8.713 4.627
124 HD2 TYR 21 HD2 TYR 21 35.338 -9.530 5.321
125 HE1 TYR 21 HE1 TYR 21 40.081 -10.974 5.461
126 HE2 TYR 21 HE2 TYR 21 35.921 -11.791 6.155
127 HH TYR 21 HH TYR 21 38.861 -13.237 5.639
128 H THR 22 HN THR 22 39.700 -6.443 6.397
129 HA THR 22 HA THR 22 39.261 -8.503 8.451
130 HB THR 22 HB THR 22 41.821 -7.262 7.413
131 HG1 THR 22 HG1 THR 22 40.245 -9.368 6.662
132 HG21 THR 22 HG21 THR 22 42.352 -7.942 9.585
133 HG22 THR 22 HG22 THR 22 42.716 -9.390 8.646
134 HG23 THR 22 HG23 THR 22 41.206 -9.282 9.551
135 H ASP 23 HN ASP 23 40.226 -5.140 8.025
136 HA ASP 23 HA ASP 23 40.355 -4.814 10.956
137 HB2 ASP 23 HB2 ASP 23 41.435 -2.612 10.378
138 HB3 ASP 23 HB1 ASP 23 42.357 -4.035 9.898
139 H TRP 24 HN TRP 24 37.866 -5.045 9.442
140 HA TRP 24 HA TRP 24 36.612 -2.643 8.863
141 HB2 TRP 24 HB2 TRP 24 34.532 -3.990 9.877
142 HB3 TRP 24 HB1 TRP 24 35.246 -4.394 8.320
143 HD1 TRP 24 HD1 TRP 24 36.953 -5.235 11.644
144 HE1 TRP 24 HE1 TRP 24 37.096 -7.798 11.868
145 HE3 TRP 24 HE3 TRP 24 34.198 -6.629 7.576
146 HZ2 TRP 24 HZ2 TRP 24 36.167 -10.133 10.501
147 HZ3 TRP 24 HZ3 TRP 24 33.844 -9.027 7.060
148 HH2 TRP 24 HH2 TRP 24 34.824 -10.779 8.516
149 H LYS 25 HN LYS 25 35.229 -4.152 11.669
150 HA LYS 25 HA LYS 25 35.561 -1.619 13.141
151 HB2 LYS 25 HB2 LYS 25 33.679 -2.759 14.577
152 HB3 LYS 25 HB1 LYS 25 33.277 -2.014 13.034
153 HG2 LYS 25 HG2 LYS 25 32.263 -4.270 13.273
154 HG3 LYS 25 HG1 LYS 25 33.385 -4.190 11.916
155 HD2 LYS 25 HD2 LYS 25 35.066 -5.377 13.088
156 HD3 LYS 25 HD1 LYS 25 34.286 -5.105 14.647
157 HE2 LYS 25 HE2 LYS 25 32.964 -6.691 12.441
158 HE3 LYS 25 HE1 LYS 25 34.010 -7.444 13.644
159 HZ1 LYS 25 HZ1 LYS 25 31.985 -5.672 14.708
160 HZ2 LYS 25 HZ2 LYS 25 32.487 -7.202 15.250
161 HZ3 LYS 25 HZ3 LYS 25 31.384 -7.072 13.964
162 H SER 26 HN SER 26 37.628 -3.685 12.962
163 HA SER 26 HA SER 26 37.881 -4.272 15.846
164 HB2 SER 26 HB2 SER 26 37.970 -6.137 13.565
165 HB3 SER 26 HB1 SER 26 39.301 -6.300 14.706
166 HG SER 26 HG SER 26 36.990 -7.323 15.006
167 H SER 27 HN SER 27 39.788 -4.463 12.826
168 HA SER 27 HA SER 27 41.953 -3.828 12.369
169 HB2 SER 27 HB2 SER 27 41.235 -1.611 14.301
170 HB3 SER 27 HB1 SER 27 42.590 -1.592 13.176
171 HG SER 27 HG SER 27 40.983 -0.599 12.094
172 H GLY 28 HN GLY 28 41.641 -5.785 14.408
173 HA2 GLY 28 HA2 GLY 28 43.132 -6.926 15.777
174 HA3 GLY 28 HA1 GLY 28 44.222 -5.544 15.690
175 H ALA 29 HN ALA 29 41.209 -4.396 16.433
176 HA ALA 29 HA ALA 29 40.490 -3.295 18.341
177 HB1 ALA 29 HB1 ALA 29 39.456 -5.482 18.602
178 HB2 ALA 29 HB2 ALA 29 39.967 -4.883 20.179
179 HB3 ALA 29 HB3 ALA 29 40.921 -6.115 19.353
180 H LEU 30 HN LEU 30 42.813 -2.282 18.159
181 HA LEU 30 HA LEU 30 44.029 -2.545 20.834
182 HB2 LEU 30 HB2 LEU 30 45.440 -2.558 18.167
183 HB3 LEU 30 HB1 LEU 30 46.263 -2.099 19.659
184 HG LEU 30 HG LEU 30 44.691 -4.585 19.861
185 HD11 LEU 30 HD11 LEU 30 47.120 -4.398 18.055
186 HD12 LEU 30 HD12 LEU 30 45.494 -4.894 17.584
187 HD13 LEU 30 HD13 LEU 30 46.448 -5.911 18.664
188 HD21 LEU 30 HD21 LEU 30 46.541 -5.262 21.196
189 HD22 LEU 30 HD22 LEU 30 46.357 -3.539 21.523
190 HD23 LEU 30 HD23 LEU 30 47.621 -4.099 20.428
191 H ILE 31 HN ILE 31 42.138 -0.659 20.156
192 HA ILE 31 HA ILE 31 43.182 1.726 21.007
193 HB ILE 31 HB ILE 31 43.841 1.315 18.219
194 HG12 ILE 31 HG12 ILE 31 45.299 2.254 20.022
195 HG13 ILE 31 HG11 ILE 31 45.215 3.289 18.602
196 HG21 ILE 31 HG21 ILE 31 41.727 2.433 17.667
197 HG22 ILE 31 HG22 ILE 31 43.081 3.509 17.351
198 HG23 ILE 31 HG23 ILE 31 42.099 3.742 18.790
199 HD11 ILE 31 HD11 ILE 31 44.646 4.002 21.274
200 HD12 ILE 31 HD12 ILE 31 43.090 3.975 20.446
201 HD13 ILE 31 HD13 ILE 31 44.398 4.986 19.833
202 HA PRO 32 HA PRO 32 38.819 2.352 18.989
203 HB2 PRO 32 HB2 PRO 32 37.930 -0.396 18.433
204 HB3 PRO 32 HB1 PRO 32 37.899 1.029 17.379
205 HG2 PRO 32 HG2 PRO 32 39.566 -1.042 16.970
206 HG3 PRO 32 HG1 PRO 32 39.987 0.628 16.550
207 HD2 PRO 32 HD2 PRO 32 40.857 -0.997 18.917
208 HD3 PRO 32 HD1 PRO 32 41.796 0.151 17.935
209 H ALA 33 HN ALA 33 39.715 -0.367 20.981
210 HA ALA 33 HA ALA 33 37.206 -0.485 22.412
211 HB1 ALA 33 HB1 ALA 33 38.030 -2.510 22.900
212 HB2 ALA 33 HB2 ALA 33 39.237 -1.733 23.924
213 HB3 ALA 33 HB3 ALA 33 39.601 -2.070 22.232
214 H ILE 34 HN ILE 34 40.406 0.921 22.890
215 HA ILE 34 HA ILE 34 39.731 1.883 25.552
216 HB ILE 34 HB ILE 34 42.129 2.945 24.193
217 HG12 ILE 34 HG12 ILE 34 41.644 -0.008 24.626
218 HG13 ILE 34 HG11 ILE 34 42.253 0.795 23.179
219 HG21 ILE 34 HG21 ILE 34 41.934 1.368 26.757
220 HG22 ILE 34 HG22 ILE 34 41.420 3.054 26.684
221 HG23 ILE 34 HG23 ILE 34 43.093 2.624 26.326
222 HD11 ILE 34 HD11 ILE 34 44.174 1.585 24.826
223 HD12 ILE 34 HD12 ILE 34 44.239 -0.006 24.070
224 HD13 ILE 34 HD13 ILE 34 43.678 0.158 25.734
225 H TYR 35 HN TYR 35 38.661 2.783 22.683
226 HA TYR 35 HA TYR 35 39.083 5.671 22.967
227 HB2 TYR 35 HB2 TYR 35 38.706 3.939 20.765
228 HB3 TYR 35 HB1 TYR 35 37.276 4.968 20.844
229 HD1 TYR 35 HD2 TYR 35 41.013 5.080 20.911
230 HD2 TYR 35 HD1 TYR 35 37.367 7.208 20.115
231 HE1 TYR 35 HE2 TYR 35 42.319 6.969 19.977
232 HE2 TYR 35 HE1 TYR 35 38.674 9.098 19.181
233 HH TYR 35 HH TYR 35 41.169 9.971 19.563
234 H MET 36 HN MET 36 36.381 3.363 22.690
235 HA MET 36 HA MET 36 34.420 5.334 23.430
236 HB2 MET 36 HB2 MET 36 34.336 2.342 23.048
237 HB3 MET 36 HB1 MET 36 32.931 3.264 23.587
238 HG2 MET 36 HG2 MET 36 34.298 4.437 21.264
239 HG3 MET 36 HG1 MET 36 33.609 2.844 20.956
240 HE1 MET 36 HE1 MET 36 31.563 6.745 20.902
241 HE2 MET 36 HE2 MET 36 32.894 6.039 19.989
242 HE3 MET 36 HE3 MET 36 33.136 6.501 21.672
243 H LEU 37 HN LEU 37 36.184 2.755 25.060
244 HA LEU 37 HA LEU 37 34.767 2.588 27.440
245 HB2 LEU 37 HB2 LEU 37 36.648 1.102 26.862
246 HB3 LEU 37 HB1 LEU 37 37.771 2.445 27.054
247 HG LEU 37 HG LEU 37 37.133 2.648 29.434
248 HD11 LEU 37 HD11 LEU 37 34.942 1.926 29.687
249 HD12 LEU 37 HD12 LEU 37 35.808 0.494 30.246
250 HD13 LEU 37 HD13 LEU 37 35.162 0.550 28.606
251 HD21 LEU 37 HD21 LEU 37 38.594 0.555 28.224
252 HD22 LEU 37 HD22 LEU 37 37.653 -0.193 29.514
253 HD23 LEU 37 HD23 LEU 37 38.746 1.142 29.879
254 H VAL 38 HN VAL 38 36.707 5.161 26.207
255 HA VAL 38 HA VAL 38 36.626 6.541 28.822
256 HB VAL 38 HB VAL 38 38.313 7.422 26.495
257 HG11 VAL 38 HG11 VAL 38 37.832 8.544 28.921
258 HG12 VAL 38 HG12 VAL 38 39.354 8.737 28.052
259 HG13 VAL 38 HG13 VAL 38 39.211 7.523 29.321
260 HG21 VAL 38 HG21 VAL 38 38.863 5.067 26.786
261 HG22 VAL 38 HG22 VAL 38 38.958 5.271 28.535
262 HG23 VAL 38 HG23 VAL 38 40.154 6.040 27.492
263 H PHE 39 HN PHE 39 34.863 6.304 26.116
264 HA PHE 39 HA PHE 39 34.292 9.196 25.922
265 HB2 PHE 39 HB2 PHE 39 34.863 7.595 23.874
266 HB3 PHE 39 HB1 PHE 39 33.139 7.237 23.992
267 HD1 PHE 39 HD2 PHE 39 35.558 10.085 23.815
268 HD2 PHE 39 HD1 PHE 39 31.548 8.724 23.098
269 HE1 PHE 39 HE2 PHE 39 35.033 12.228 22.683
270 HE2 PHE 39 HE1 PHE 39 31.023 10.866 21.965
271 HZ PHE 39 HZ PHE 39 32.766 12.618 21.758
272 H LEU 40 HN LEU 40 33.285 6.658 27.637
273 HA LEU 40 HA LEU 40 30.587 7.746 27.920
274 HB2 LEU 40 HB2 LEU 40 29.553 5.505 27.788
275 HB3 LEU 40 HB1 LEU 40 30.287 5.978 26.256
276 HG LEU 40 HG LEU 40 32.382 4.735 27.562
277 HD11 LEU 40 HD11 LEU 40 29.827 3.195 28.117
278 HD12 LEU 40 HD12 LEU 40 30.838 3.966 29.338
279 HD13 LEU 40 HD13 LEU 40 31.464 2.608 28.403
280 HD21 LEU 40 HD21 LEU 40 31.954 2.890 25.969
281 HD22 LEU 40 HD22 LEU 40 31.727 4.461 25.199
282 HD23 LEU 40 HD23 LEU 40 30.326 3.510 25.694
283 H LEU 41 HN LEU 41 33.363 6.181 29.120
284 HA LEU 41 HA LEU 41 32.671 4.816 31.361
285 HB2 LEU 41 HB2 LEU 41 34.975 6.193 30.456
286 HB3 LEU 41 HB1 LEU 41 34.710 6.684 32.129
287 HG LEU 41 HG LEU 41 34.780 3.813 31.152
288 HD11 LEU 41 HD11 LEU 41 36.809 5.445 32.711
289 HD12 LEU 41 HD12 LEU 41 36.999 4.865 31.056
290 HD13 LEU 41 HD13 LEU 41 36.929 3.715 32.391
291 HD21 LEU 41 HD21 LEU 41 33.821 3.336 33.135
292 HD22 LEU 41 HD22 LEU 41 33.774 5.052 33.543
293 HD23 LEU 41 HD23 LEU 41 35.191 4.087 33.955
294 H GLY 42 HN GLY 42 32.692 8.347 31.004
295 HA2 GLY 42 HA2 GLY 42 30.540 8.830 32.710
296 HA3 GLY 42 HA1 GLY 42 31.998 8.946 33.690
297 H THR 43 HN THR 43 31.904 9.795 30.287
298 HA THR 43 HA THR 43 32.431 12.606 31.034
299 HB THR 43 HB THR 43 34.265 12.139 29.768
300 HG1 THR 43 HG1 THR 43 32.829 13.531 28.511
301 HG21 THR 43 HG21 THR 43 32.571 9.998 28.465
302 HG22 THR 43 HG22 THR 43 33.914 9.774 29.585
303 HG23 THR 43 HG23 THR 43 34.217 10.368 27.953
304 H THR 44 HN THR 44 30.899 10.697 28.432
305 HA THR 44 HA THR 44 29.356 12.912 27.476
306 HB THR 44 HB THR 44 28.099 11.002 26.269
307 HG1 THR 44 HG1 THR 44 28.684 9.067 26.776
308 HG21 THR 44 HG21 THR 44 31.004 11.718 25.969
309 HG22 THR 44 HG22 THR 44 29.634 12.199 24.967
310 HG23 THR 44 HG23 THR 44 30.260 10.554 24.873
311 H GLY 45 HN GLY 45 27.521 10.051 27.889
312 HA2 GLY 45 HA2 GLY 45 26.088 11.142 30.218
313 HA3 GLY 45 HA1 GLY 45 25.187 10.821 28.738
314 H ASN 46 HN ASN 46 26.594 8.465 27.962
315 HA ASN 46 HA ASN 46 26.166 6.198 28.168
316 HB2 ASN 46 HB2 ASN 46 27.301 5.208 30.074
317 HB3 ASN 46 HB1 ASN 46 28.257 6.557 29.462
318 HD21 ASN 46 HD21 ASN 46 28.085 8.648 30.695
319 HD22 ASN 46 HD22 ASN 46 27.689 8.599 32.346
320 H GLY 47 HN GLY 47 23.780 6.979 28.235
321 HA2 GLY 47 HA2 GLY 47 22.390 5.348 30.091
322 HA3 GLY 47 HA1 GLY 47 22.269 7.036 30.579
323 H LEU 48 HN LEU 48 22.192 8.262 28.069
324 HA LEU 48 HA LEU 48 19.924 7.069 26.645
325 HB2 LEU 48 HB2 LEU 48 19.684 9.255 28.508
326 HB3 LEU 48 HB1 LEU 48 19.283 9.803 26.880
327 HG LEU 48 HG LEU 48 18.139 7.301 28.152
328 HD11 LEU 48 HD11 LEU 48 16.038 8.687 28.295
329 HD12 LEU 48 HD12 LEU 48 17.011 10.103 27.895
330 HD13 LEU 48 HD13 LEU 48 17.319 9.215 29.387
331 HD21 LEU 48 HD21 LEU 48 16.599 8.510 26.030
332 HD22 LEU 48 HD22 LEU 48 17.289 6.889 26.104
333 HD23 LEU 48 HD23 LEU 48 18.250 8.229 25.478
334 H VAL 49 HN VAL 49 22.893 8.244 26.459
335 HA VAL 49 HA VAL 49 22.529 9.975 24.130
336 HB VAL 49 HB VAL 49 25.033 9.087 25.583
337 HG11 VAL 49 HG11 VAL 49 25.917 9.670 23.543
338 HG12 VAL 49 HG12 VAL 49 25.751 11.293 24.214
339 HG13 VAL 49 HG13 VAL 49 24.528 10.667 23.109
340 HG21 VAL 49 HG21 VAL 49 25.018 11.479 26.343
341 HG22 VAL 49 HG22 VAL 49 23.651 10.550 26.955
342 HG23 VAL 49 HG23 VAL 49 23.427 11.662 25.606
343 H LEU 50 HN LEU 50 23.485 6.723 24.955
344 HA LEU 50 HA LEU 50 24.634 6.129 22.379
345 HB2 LEU 50 HB2 LEU 50 23.923 3.704 23.575
346 HB3 LEU 50 HB1 LEU 50 25.505 4.475 23.618
347 HG LEU 50 HG LEU 50 24.801 5.726 25.665
348 HD11 LEU 50 HD11 LEU 50 22.584 3.984 26.344
349 HD12 LEU 50 HD12 LEU 50 22.230 4.873 24.865
350 HD13 LEU 50 HD13 LEU 50 22.644 5.747 26.340
351 HD21 LEU 50 HD21 LEU 50 24.637 3.607 27.131
352 HD22 LEU 50 HD22 LEU 50 26.053 3.762 26.091
353 HD23 LEU 50 HD23 LEU 50 24.720 2.708 25.616
354 H TRP 51 HN TRP 51 21.510 6.582 23.455
355 HA TRP 51 HA TRP 51 20.203 4.538 21.897
356 HB2 TRP 51 HB2 TRP 51 18.476 5.121 23.195
357 HB3 TRP 51 HB1 TRP 51 19.448 6.417 23.893
358 HD1 TRP 51 HD1 TRP 51 19.449 8.784 22.457
359 HE1 TRP 51 HE1 TRP 51 17.508 9.889 21.170
360 HE3 TRP 51 HE3 TRP 51 16.360 4.756 21.890
361 HZ2 TRP 51 HZ2 TRP 51 14.979 9.160 20.049
362 HZ3 TRP 51 HZ3 TRP 51 14.194 4.989 20.710
363 HH2 TRP 51 HH2 TRP 51 13.500 7.185 19.790
364 H THR 52 HN THR 52 21.134 7.895 21.455
365 HA THR 52 HA THR 52 19.609 8.356 19.089
366 HB THR 52 HB THR 52 20.792 10.051 20.696
367 HG1 THR 52 HG1 THR 52 20.172 10.086 18.045
368 HG21 THR 52 HG21 THR 52 22.999 10.661 20.172
369 HG22 THR 52 HG22 THR 52 22.953 9.839 18.612
370 HG23 THR 52 HG23 THR 52 23.048 8.900 20.102
371 H VAL 53 HN VAL 53 22.672 6.844 19.751
372 HA VAL 53 HA VAL 53 23.774 7.014 17.133
373 HB VAL 53 HB VAL 53 24.280 5.002 19.338
374 HG11 VAL 53 HG11 VAL 53 25.325 5.331 16.603
375 HG12 VAL 53 HG12 VAL 53 25.388 3.928 17.670
376 HG13 VAL 53 HG13 VAL 53 26.574 5.222 17.843
377 HG21 VAL 53 HG21 VAL 53 24.814 7.214 20.114
378 HG22 VAL 53 HG22 VAL 53 25.562 7.639 18.573
379 HG23 VAL 53 HG23 VAL 53 26.340 6.468 19.638
380 H PHE 54 HN PHE 54 22.146 4.329 18.835
381 HA PHE 54 HA PHE 54 22.085 2.449 16.832
382 HB2 PHE 54 HB2 PHE 54 20.982 1.435 18.502
383 HB3 PHE 54 HB1 PHE 54 20.573 2.983 19.243
384 HD1 PHE 54 HD1 PHE 54 19.594 0.712 16.433
385 HD2 PHE 54 HD2 PHE 54 18.364 3.782 19.175
386 HE1 PHE 54 HE1 PHE 54 17.251 0.468 15.657
387 HE2 PHE 54 HE2 PHE 54 16.021 3.538 18.398
388 HZ PHE 54 HZ PHE 54 15.465 1.879 16.640
389 H ARG 55 HN ARG 55 20.306 5.431 17.036
390 HA ARG 55 HA ARG 55 18.422 4.728 14.951
391 HB2 ARG 55 HB2 ARG 55 18.320 6.526 16.970
392 HB3 ARG 55 HB1 ARG 55 18.838 7.573 15.649
393 HG2 ARG 55 HG2 ARG 55 16.951 6.523 14.272
394 HG3 ARG 55 HG1 ARG 55 16.354 5.857 15.792
395 HD2 ARG 55 HD2 ARG 55 15.251 7.822 16.011
396 HD3 ARG 55 HD1 ARG 55 16.820 8.486 16.460
397 HE ARG 55 HE ARG 55 16.582 8.510 13.643
398 HH11 ARG 55 HH21 ARG 55 15.285 9.979 16.496
399 HH12 ARG 55 HH22 ARG 55 14.904 11.479 15.717
400 HH21 ARG 55 HH11 ARG 55 16.086 10.474 12.616
401 HH22 ARG 55 HH12 ARG 55 15.357 11.759 13.521
402 H LYS 56 HN LYS 56 21.287 6.806 15.269
403 HA LYS 56 HA LYS 56 21.361 8.013 12.800
404 HB2 LYS 56 HB2 LYS 56 23.292 7.335 14.860
405 HB3 LYS 56 HB1 LYS 56 24.010 7.246 13.251
406 HG2 LYS 56 HG2 LYS 56 24.199 9.526 14.190
407 HG3 LYS 56 HG1 LYS 56 23.187 9.510 12.746
408 HD2 LYS 56 HD2 LYS 56 21.394 10.237 13.903
409 HD3 LYS 56 HD1 LYS 56 21.613 8.993 15.134
410 HE2 LYS 56 HE2 LYS 56 23.278 10.355 16.278
411 HE3 LYS 56 HE1 LYS 56 23.203 11.571 15.003
412 HZ1 LYS 56 HZ1 LYS 56 20.631 11.367 15.686
413 HZ2 LYS 56 HZ2 LYS 56 21.700 12.506 16.354
414 HZ3 LYS 56 HZ3 LYS 56 21.367 11.061 17.182
415 H LYS 57 HN LYS 57 21.459 4.679 13.451
416 HA LYS 57 HA LYS 57 22.815 4.003 10.949
417 HB2 LYS 57 HB2 LYS 57 21.532 1.885 12.584
418 HB3 LYS 57 HB1 LYS 57 23.118 1.913 11.815
419 HG2 LYS 57 HG2 LYS 57 22.325 3.360 14.361
420 HG3 LYS 57 HG1 LYS 57 23.402 1.969 14.236
421 HD2 LYS 57 HD2 LYS 57 24.570 3.705 12.469
422 HD3 LYS 57 HD1 LYS 57 23.945 4.817 13.688
423 HE2 LYS 57 HE2 LYS 57 26.139 4.197 14.417
424 HE3 LYS 57 HE1 LYS 57 25.011 3.304 15.437
425 HZ1 LYS 57 HZ1 LYS 57 25.411 1.341 14.304
426 HZ2 LYS 57 HZ2 LYS 57 26.954 2.046 14.380
427 HZ3 LYS 57 HZ3 LYS 57 26.052 2.123 12.942
428 H GLY 58 HN GLY 58 20.416 5.453 10.659
429 HA2 GLY 58 HA2 GLY 58 18.444 3.445 9.787
430 HA3 GLY 58 HA1 GLY 58 18.130 5.164 10.012
431 H HIS 59 HN HIS 59 19.472 2.737 7.883
432 HA HIS 59 HA HIS 59 20.568 4.345 5.878
433 HB2 HIS 59 HB2 HIS 59 19.044 1.795 5.344
434 HB3 HIS 59 HB1 HIS 59 20.424 2.447 4.458
435 HD2 HIS 59 HD2 HIS 59 22.871 2.536 6.217
436 HE1 HIS 59 HE1 HIS 59 21.542 -0.789 8.452
437 HE2 HIS 59 HE2 HIS 59 23.546 0.680 7.925
438 H HIS 60 HN HIS 60 17.328 4.042 6.877
439 HA HIS 60 HA HIS 60 15.765 4.302 4.653
440 HB2 HIS 60 HB2 HIS 60 15.613 5.534 7.378
441 HB3 HIS 60 HB1 HIS 60 14.456 6.031 6.144
442 HD2 HIS 60 HD2 HIS 60 15.692 2.464 7.466
443 HE1 HIS 60 HE1 HIS 60 11.554 2.309 6.646
444 HE2 HIS 60 HE2 HIS 60 13.546 0.977 7.488
445 H HIS 61 HN HIS 61 16.436 5.408 2.888
446 HA HIS 61 HA HIS 61 17.544 8.092 3.157
447 HB2 HIS 61 HB2 HIS 61 17.976 7.950 0.782
448 HB3 HIS 61 HB1 HIS 61 18.483 6.436 1.533
449 HD2 HIS 61 HD2 HIS 61 17.522 4.299 0.093
450 HE1 HIS 61 HE1 HIS 61 14.000 6.087 -1.398
451 HE2 HIS 61 HE2 HIS 61 15.395 3.965 -1.384
452 H HIS 62 HN HIS 62 16.698 9.789 1.610
453 HA HIS 62 HA HIS 62 14.047 10.440 2.231
454 HB2 HIS 62 HB2 HIS 62 14.298 12.113 0.332
455 HB3 HIS 62 HB1 HIS 62 15.523 12.202 1.599
456 HD2 HIS 62 HD2 HIS 62 18.099 11.126 0.826
457 HE1 HIS 62 HE1 HIS 62 17.195 10.999 -3.295
458 HE2 HIS 62 HE2 HIS 62 19.060 10.814 -1.582
459 H HIS 63 HN HIS 63 12.116 10.184 1.198
460 HA HIS 63 HA HIS 63 11.698 7.955 -0.443
461 HB2 HIS 63 HB2 HIS 63 10.073 9.651 0.931
462 HB3 HIS 63 HB1 HIS 63 9.750 10.155 -0.728
463 HD2 HIS 63 HD2 HIS 63 9.456 6.861 1.452
464 HE1 HIS 63 HE1 HIS 63 7.186 6.362 -2.074
465 HE2 HIS 63 HE2 HIS 63 7.791 5.317 0.161
466 H HIS 64 HN HIS 64 10.232 8.504 -2.586
467 HA HIS 64 HA HIS 64 11.932 8.888 -4.677
468 HB2 HIS 64 HB2 HIS 64 9.668 8.138 -5.053
469 HB3 HIS 64 HB1 HIS 64 9.018 9.683 -4.500
470 HD2 HIS 64 HD2 HIS 64 8.970 11.697 -6.448
471 HE1 HIS 64 HE1 HIS 64 10.968 9.540 -9.477
472 HE2 HIS 64 HE2 HIS 64 9.708 11.680 -8.953
Start of MODEL 24
1 H1 MET 1 HT1 MET 1 26.631 10.130 23.849
2 H2 MET 1 HT2 MET 1 26.491 8.464 24.153
3 H3 MET 1 HT3 MET 1 27.166 9.492 25.326
4 HA MET 1 HA MET 1 25.128 9.441 26.226
5 HB2 MET 1 HB2 MET 1 25.111 11.439 24.004
6 HB3 MET 1 HB1 MET 1 23.591 11.132 24.845
7 HG2 MET 1 HG2 MET 1 24.494 11.783 26.942
8 HG3 MET 1 HG1 MET 1 26.151 11.699 26.345
9 HE1 MET 1 HE1 MET 1 26.440 13.688 27.562
10 HE2 MET 1 HE2 MET 1 24.932 14.554 27.845
11 HE3 MET 1 HE3 MET 1 26.222 15.323 26.924
12 H GLU 2 HN GLU 2 23.516 8.005 26.299
13 HA GLU 2 HA GLU 2 22.685 6.678 23.824
14 HB2 GLU 2 HB2 GLU 2 21.882 5.979 26.651
15 HB3 GLU 2 HB1 GLU 2 21.801 4.952 25.220
16 HG2 GLU 2 HG2 GLU 2 24.339 5.241 25.051
17 HG3 GLU 2 HG1 GLU 2 24.268 5.914 26.678
18 H GLU 3 HN GLU 3 21.777 9.284 23.973
19 HA GLU 3 HA GLU 3 18.878 8.842 24.229
20 HB2 GLU 3 HB2 GLU 3 19.461 9.991 26.269
21 HB3 GLU 3 HB1 GLU 3 20.417 11.178 25.382
22 HG2 GLU 3 HG2 GLU 3 18.562 12.294 24.594
23 HG3 GLU 3 HG1 GLU 3 17.565 10.840 24.577
24 H GLY 4 HN GLY 4 18.993 8.655 21.911
25 HA2 GLY 4 HA2 GLY 4 18.120 10.710 20.411
26 HA3 GLY 4 HA1 GLY 4 19.863 10.957 20.364
27 H GLY 5 HN GLY 5 20.432 8.076 20.515
28 HA2 GLY 5 HA2 GLY 5 20.716 7.461 17.820
29 HA3 GLY 5 HA1 GLY 5 20.742 6.271 19.117
30 H ASP 6 HN ASP 6 18.278 6.149 20.081
31 HA ASP 6 HA ASP 6 16.276 5.078 19.690
32 HB2 ASP 6 HB2 ASP 6 14.820 6.584 18.879
33 HB3 ASP 6 HB1 ASP 6 16.216 7.623 18.590
34 H PHE 7 HN PHE 7 14.831 4.211 17.719
35 HA PHE 7 HA PHE 7 16.586 2.992 15.694
36 HB2 PHE 7 HB2 PHE 7 15.146 1.614 17.867
37 HB3 PHE 7 HB1 PHE 7 14.908 0.921 16.262
38 HD1 PHE 7 HD2 PHE 7 17.037 0.540 14.816
39 HD2 PHE 7 HD1 PHE 7 17.106 1.137 19.069
40 HE1 PHE 7 HE2 PHE 7 19.289 -0.494 14.925
41 HE2 PHE 7 HE1 PHE 7 19.357 0.103 19.178
42 HZ PHE 7 HZ PHE 7 20.449 -0.713 17.106
43 H ASP 8 HN ASP 8 15.680 4.147 14.026
44 HA ASP 8 HA ASP 8 13.020 3.298 13.197
45 HB2 ASP 8 HB2 ASP 8 12.726 5.374 14.620
46 HB3 ASP 8 HB1 ASP 8 13.636 6.248 13.390
47 H ASN 9 HN ASN 9 15.140 2.427 11.941
48 HA ASN 9 HA ASN 9 15.200 4.005 9.455
49 HB2 ASN 9 HB2 ASN 9 17.641 2.757 10.739
50 HB3 ASN 9 HB1 ASN 9 17.598 3.627 9.206
51 HD21 ASN 9 HD21 ASN 9 17.861 5.881 9.302
52 HD22 ASN 9 HD22 ASN 9 17.835 6.784 10.739
53 H TYR 10 HN TYR 10 13.586 1.785 9.969
54 HA TYR 10 HA TYR 10 14.488 -0.738 9.405
55 HB2 TYR 10 HB2 TYR 10 12.024 0.404 8.088
56 HB3 TYR 10 HB1 TYR 10 12.305 -1.254 8.619
57 HD1 TYR 10 HD1 TYR 10 12.382 -1.804 11.044
58 HD2 TYR 10 HD2 TYR 10 11.350 2.122 9.638
59 HE1 TYR 10 HE1 TYR 10 11.450 -1.250 13.274
60 HE2 TYR 10 HE2 TYR 10 10.418 2.676 11.868
61 HH TYR 10 HH TYR 10 10.768 0.479 14.602
62 H TYR 11 HN TYR 11 15.054 -1.907 7.602
63 HA TYR 11 HA TYR 11 16.415 -0.634 5.523
64 HB2 TYR 11 HB2 TYR 11 16.677 -2.770 4.557
65 HB3 TYR 11 HB1 TYR 11 16.539 -3.089 6.285
66 HD1 TYR 11 HD2 TYR 11 14.187 -3.621 7.216
67 HD2 TYR 11 HD1 TYR 11 15.178 -3.769 3.039
68 HE1 TYR 11 HE2 TYR 11 12.205 -5.053 6.796
69 HE2 TYR 11 HE1 TYR 11 13.196 -5.200 2.619
70 HH TYR 11 HH TYR 11 11.451 -6.699 5.120
71 H GLY 12 HN GLY 12 15.654 -1.626 3.127
72 HA2 GLY 12 HA2 GLY 12 13.821 -1.723 1.579
73 HA3 GLY 12 HA1 GLY 12 12.884 -0.720 2.681
74 H ALA 13 HN ALA 13 15.122 1.121 3.166
75 HA ALA 13 HA ALA 13 14.786 2.750 0.759
76 HB1 ALA 13 HB1 ALA 13 15.738 4.563 2.154
77 HB2 ALA 13 HB2 ALA 13 15.951 3.413 3.474
78 HB3 ALA 13 HB3 ALA 13 14.329 3.815 2.908
79 H ASP 14 HN ASP 14 16.292 0.919 -0.175
80 HA ASP 14 HA ASP 14 19.048 0.918 0.407
81 HB2 ASP 14 HB2 ASP 14 19.302 -0.078 -1.852
82 HB3 ASP 14 HB1 ASP 14 18.024 -0.851 -0.916
83 H ASN 15 HN ASN 15 19.387 3.248 0.712
84 HA ASN 15 HA ASN 15 20.141 4.524 -1.835
85 HB2 ASN 15 HB2 ASN 15 18.825 6.005 0.449
86 HB3 ASN 15 HB1 ASN 15 19.260 6.650 -1.133
87 HD21 ASN 15 HD21 ASN 15 16.777 5.016 0.641
88 HD22 ASN 15 HD22 ASN 15 15.742 4.722 -0.671
89 H GLN 16 HN GLN 16 20.562 4.223 1.643
90 HA GLN 16 HA GLN 16 22.724 6.032 1.923
91 HB2 GLN 16 HB2 GLN 16 23.164 4.838 4.039
92 HB3 GLN 16 HB1 GLN 16 21.451 5.220 3.852
93 HG2 GLN 16 HG2 GLN 16 21.835 2.713 2.604
94 HG3 GLN 16 HG1 GLN 16 22.704 2.635 4.136
95 HE21 GLN 16 HE21 GLN 16 19.588 4.157 3.099
96 HE22 GLN 16 HE22 GLN 16 18.683 3.489 4.371
97 H SER 17 HN SER 17 23.727 5.276 -0.206
98 HA SER 17 HA SER 17 25.434 2.906 0.156
99 HB2 SER 17 HB2 SER 17 23.990 3.451 -1.974
100 HB3 SER 17 HB1 SER 17 25.340 4.511 -2.371
101 HG SER 17 HG SER 17 26.625 2.814 -2.590
102 H GLU 18 HN GLU 18 27.103 3.592 1.439
103 HA GLU 18 HA GLU 18 28.909 5.574 0.231
104 HB2 GLU 18 HB2 GLU 18 27.755 6.879 1.876
105 HB3 GLU 18 HB1 GLU 18 27.916 5.604 3.085
106 HG2 GLU 18 HG2 GLU 18 30.110 6.102 3.522
107 HG3 GLU 18 HG1 GLU 18 30.440 6.579 1.857
108 H CYS 19 HN CYS 19 30.415 4.046 -0.335
109 HA CYS 19 HA CYS 19 31.409 2.227 1.751
110 HB2 CYS 19 HB2 CYS 19 32.716 1.264 -0.230
111 HB3 CYS 19 HB1 CYS 19 30.964 1.056 -0.261
112 HG CYS 19 HG CYS 19 32.492 3.186 -1.970
113 H GLU 20 HN GLU 20 33.950 1.805 1.183
114 HA GLU 20 HA GLU 20 36.084 2.613 1.446
115 HB2 GLU 20 HB2 GLU 20 35.151 5.221 0.262
116 HB3 GLU 20 HB1 GLU 20 36.740 4.465 0.145
117 HG2 GLU 20 HG2 GLU 20 35.477 2.525 -1.044
118 HG3 GLU 20 HG1 GLU 20 34.189 3.708 -1.263
119 H TYR 21 HN TYR 21 33.458 3.775 3.027
120 HA TYR 21 HA TYR 21 35.144 5.246 4.943
121 HB2 TYR 21 HB2 TYR 21 34.094 7.044 3.835
122 HB3 TYR 21 HB1 TYR 21 32.563 6.178 3.701
123 HD1 TYR 21 HD1 TYR 21 31.090 5.901 5.652
124 HD2 TYR 21 HD2 TYR 21 34.760 8.117 5.914
125 HE1 TYR 21 HE1 TYR 21 30.349 6.871 7.811
126 HE2 TYR 21 HE2 TYR 21 34.020 9.087 8.073
127 HH TYR 21 HH TYR 21 32.226 8.160 9.984
128 H THR 22 HN THR 22 32.211 3.424 4.262
129 HA THR 22 HA THR 22 31.519 3.194 7.076
130 HB THR 22 HB THR 22 30.333 1.886 4.617
131 HG1 THR 22 HG1 THR 22 30.059 4.310 5.841
132 HG21 THR 22 HG21 THR 22 28.415 1.871 6.570
133 HG22 THR 22 HG22 THR 22 29.875 1.566 7.511
134 HG23 THR 22 HG23 THR 22 29.446 0.495 6.177
135 H ASP 23 HN ASP 23 33.262 1.408 4.660
136 HA ASP 23 HA ASP 23 33.286 -1.033 6.272
137 HB2 ASP 23 HB2 ASP 23 33.188 -0.806 3.638
138 HB3 ASP 23 HB1 ASP 23 34.940 -0.698 3.806
139 H TRP 24 HN TRP 24 34.578 1.543 7.123
140 HA TRP 24 HA TRP 24 37.337 1.534 6.905
141 HB2 TRP 24 HB2 TRP 24 37.162 2.458 9.375
142 HB3 TRP 24 HB1 TRP 24 36.546 3.394 8.018
143 HD1 TRP 24 HD1 TRP 24 34.633 0.335 9.228
144 HE1 TRP 24 HE1 TRP 24 32.402 1.101 10.263
145 HE3 TRP 24 HE3 TRP 24 35.363 5.390 9.254
146 HZ2 TRP 24 HZ2 TRP 24 31.097 3.536 11.005
147 HZ3 TRP 24 HZ3 TRP 24 33.611 6.907 10.130
148 HH2 TRP 24 HH2 TRP 24 31.480 5.989 11.004
149 H LYS 25 HN LYS 25 36.504 0.889 10.179
150 HA LYS 25 HA LYS 25 38.492 -0.983 10.632
151 HB2 LYS 25 HB2 LYS 25 35.837 -0.812 12.078
152 HB3 LYS 25 HB1 LYS 25 37.324 -1.528 12.700
153 HG2 LYS 25 HG2 LYS 25 37.871 0.499 13.511
154 HG3 LYS 25 HG1 LYS 25 38.051 1.048 11.845
155 HD2 LYS 25 HD2 LYS 25 35.632 1.603 11.783
156 HD3 LYS 25 HD1 LYS 25 35.491 1.109 13.471
157 HE2 LYS 25 HE2 LYS 25 35.776 3.593 13.153
158 HE3 LYS 25 HE1 LYS 25 37.005 2.854 14.179
159 HZ1 LYS 25 HZ1 LYS 25 37.403 3.210 11.271
160 HZ2 LYS 25 HZ2 LYS 25 38.572 2.914 12.468
161 HZ3 LYS 25 HZ3 LYS 25 37.803 4.427 12.384
162 H SER 26 HN SER 26 35.099 -1.979 10.897
163 HA SER 26 HA SER 26 34.048 -3.943 10.334
164 HB2 SER 26 HB2 SER 26 34.624 -2.925 8.049
165 HB3 SER 26 HB1 SER 26 35.942 -4.092 7.994
166 HG SER 26 HG SER 26 34.151 -5.644 8.575
167 H SER 27 HN SER 27 37.002 -3.856 11.547
168 HA SER 27 HA SER 27 37.619 -6.709 11.161
169 HB2 SER 27 HB2 SER 27 39.203 -4.306 11.685
170 HB3 SER 27 HB1 SER 27 39.619 -5.649 12.745
171 HG SER 27 HG SER 27 40.036 -5.322 10.066
172 H GLY 28 HN GLY 28 38.216 -4.610 13.953
173 HA2 GLY 28 HA2 GLY 28 36.260 -5.715 15.666
174 HA3 GLY 28 HA1 GLY 28 37.774 -6.590 15.882
175 H ALA 29 HN ALA 29 37.712 -3.218 14.978
176 HA ALA 29 HA ALA 29 38.623 -1.370 16.004
177 HB1 ALA 29 HB1 ALA 29 36.774 -2.616 17.950
178 HB2 ALA 29 HB2 ALA 29 36.807 -0.970 17.316
179 HB3 ALA 29 HB3 ALA 29 37.907 -1.438 18.613
180 H LEU 30 HN LEU 30 40.812 -1.639 15.939
181 HA LEU 30 HA LEU 30 42.086 -3.154 18.126
182 HB2 LEU 30 HB2 LEU 30 43.049 -2.291 15.401
183 HB3 LEU 30 HB1 LEU 30 44.150 -2.880 16.647
184 HG LEU 30 HG LEU 30 41.774 -4.573 16.279
185 HD11 LEU 30 HD11 LEU 30 42.075 -3.903 13.944
186 HD12 LEU 30 HD12 LEU 30 42.622 -5.566 14.157
187 HD13 LEU 30 HD13 LEU 30 43.800 -4.259 14.042
188 HD21 LEU 30 HD21 LEU 30 43.874 -5.059 17.626
189 HD22 LEU 30 HD22 LEU 30 44.730 -5.219 16.093
190 HD23 LEU 30 HD23 LEU 30 43.415 -6.324 16.488
191 H ILE 31 HN ILE 31 40.973 -0.660 18.738
192 HA ILE 31 HA ILE 31 42.908 0.608 20.200
193 HB ILE 31 HB ILE 31 43.174 1.327 17.404
194 HG12 ILE 31 HG12 ILE 31 44.974 0.786 19.097
195 HG13 ILE 31 HG11 ILE 31 45.259 2.259 18.177
196 HG21 ILE 31 HG21 ILE 31 43.309 3.790 17.714
197 HG22 ILE 31 HG22 ILE 31 42.564 3.630 19.298
198 HG23 ILE 31 HG23 ILE 31 41.660 3.196 17.847
199 HD11 ILE 31 HD11 ILE 31 43.720 2.742 20.624
200 HD12 ILE 31 HD12 ILE 31 45.173 3.545 20.035
201 HD13 ILE 31 HD13 ILE 31 45.305 2.040 20.942
202 HA PRO 32 HA PRO 32 39.019 3.453 19.622
203 HB2 PRO 32 HB2 PRO 32 37.109 1.681 18.251
204 HB3 PRO 32 HB1 PRO 32 37.548 3.358 17.883
205 HG2 PRO 32 HG2 PRO 32 38.274 1.296 16.319
206 HG3 PRO 32 HG1 PRO 32 39.272 2.747 16.515
207 HD2 PRO 32 HD2 PRO 32 39.608 0.044 17.771
208 HD3 PRO 32 HD1 PRO 32 40.848 1.154 17.148
209 H ALA 33 HN ALA 33 39.206 0.131 20.382
210 HA ALA 33 HA ALA 33 36.791 -0.152 21.876
211 HB1 ALA 33 HB1 ALA 33 38.423 -1.994 22.992
212 HB2 ALA 33 HB2 ALA 33 39.281 -1.708 21.479
213 HB3 ALA 33 HB3 ALA 33 37.600 -2.239 21.452
214 H ILE 34 HN ILE 34 40.081 0.858 22.660
215 HA ILE 34 HA ILE 34 39.429 1.131 25.492
216 HB ILE 34 HB ILE 34 41.935 1.464 23.862
217 HG12 ILE 34 HG12 ILE 34 42.753 -0.278 25.345
218 HG13 ILE 34 HG11 ILE 34 41.305 -0.160 26.346
219 HG21 ILE 34 HG21 ILE 34 42.943 1.988 26.212
220 HG22 ILE 34 HG22 ILE 34 41.306 2.502 26.618
221 HG23 ILE 34 HG23 ILE 34 42.182 3.297 25.309
222 HD11 ILE 34 HD11 ILE 34 41.387 -2.072 24.614
223 HD12 ILE 34 HD12 ILE 34 41.133 -0.813 23.404
224 HD13 ILE 34 HD13 ILE 34 39.925 -1.087 24.660
225 H TYR 35 HN TYR 35 39.720 3.070 22.621
226 HA TYR 35 HA TYR 35 40.013 5.609 23.866
227 HB2 TYR 35 HB2 TYR 35 40.121 4.722 21.296
228 HB3 TYR 35 HB1 TYR 35 38.539 5.504 21.312
229 HD1 TYR 35 HD2 TYR 35 38.408 7.888 22.324
230 HD2 TYR 35 HD1 TYR 35 42.076 6.012 21.110
231 HE1 TYR 35 HE2 TYR 35 39.505 10.109 22.205
232 HE2 TYR 35 HE1 TYR 35 43.173 8.232 20.990
233 HH TYR 35 HH TYR 35 41.415 11.157 21.089
234 H MET 36 HN MET 36 37.216 3.678 22.895
235 HA MET 36 HA MET 36 35.316 5.733 23.606
236 HB2 MET 36 HB2 MET 36 35.025 2.822 22.856
237 HB3 MET 36 HB1 MET 36 33.654 3.856 23.259
238 HG2 MET 36 HG2 MET 36 35.461 5.118 21.344
239 HG3 MET 36 HG1 MET 36 34.810 3.593 20.741
240 HE1 MET 36 HE1 MET 36 34.302 7.262 21.250
241 HE2 MET 36 HE2 MET 36 32.938 7.395 20.144
242 HE3 MET 36 HE3 MET 36 34.397 6.552 19.633
243 H LEU 37 HN LEU 37 36.352 2.623 24.989
244 HA LEU 37 HA LEU 37 34.708 2.327 27.129
245 HB2 LEU 37 HB2 LEU 37 37.297 1.416 26.419
246 HB3 LEU 37 HB1 LEU 37 37.380 1.949 28.097
247 HG LEU 37 HG LEU 37 35.304 0.046 26.967
248 HD11 LEU 37 HD11 LEU 37 36.613 -1.448 28.732
249 HD12 LEU 37 HD12 LEU 37 37.926 -0.331 28.359
250 HD13 LEU 37 HD13 LEU 37 37.192 -1.291 27.073
251 HD21 LEU 37 HD21 LEU 37 34.161 0.774 28.798
252 HD22 LEU 37 HD22 LEU 37 35.594 1.504 29.521
253 HD23 LEU 37 HD23 LEU 37 35.301 -0.225 29.698
254 H VAL 38 HN VAL 38 36.883 4.938 26.590
255 HA VAL 38 HA VAL 38 36.748 5.809 29.391
256 HB VAL 38 HB VAL 38 38.268 6.942 27.032
257 HG11 VAL 38 HG11 VAL 38 38.113 8.789 28.406
258 HG12 VAL 38 HG12 VAL 38 39.483 7.988 29.174
259 HG13 VAL 38 HG13 VAL 38 37.867 7.819 29.858
260 HG21 VAL 38 HG21 VAL 38 38.844 4.627 28.206
261 HG22 VAL 38 HG22 VAL 38 39.520 5.683 29.446
262 HG23 VAL 38 HG23 VAL 38 40.123 5.768 27.792
263 H PHE 39 HN PHE 39 35.611 6.642 26.178
264 HA PHE 39 HA PHE 39 34.688 9.245 26.649
265 HB2 PHE 39 HB2 PHE 39 34.792 7.858 24.447
266 HB3 PHE 39 HB1 PHE 39 33.175 7.323 24.906
267 HD1 PHE 39 HD1 PHE 39 35.248 10.225 23.955
268 HD2 PHE 39 HD2 PHE 39 31.295 8.865 24.945
269 HE1 PHE 39 HE1 PHE 39 34.303 12.358 23.113
270 HE2 PHE 39 HE2 PHE 39 30.350 10.998 24.103
271 HZ PHE 39 HZ PHE 39 31.854 12.744 23.187
272 H LEU 40 HN LEU 40 32.671 6.297 26.568
273 HA LEU 40 HA LEU 40 30.388 7.439 27.698
274 HB2 LEU 40 HB2 LEU 40 30.403 4.788 28.598
275 HB3 LEU 40 HB1 LEU 40 29.662 5.397 27.120
276 HG LEU 40 HG LEU 40 32.586 4.622 27.241
277 HD11 LEU 40 HD11 LEU 40 31.319 2.601 25.877
278 HD12 LEU 40 HD12 LEU 40 30.179 2.927 27.183
279 HD13 LEU 40 HD13 LEU 40 31.849 2.499 27.557
280 HD21 LEU 40 HD21 LEU 40 30.954 4.335 24.789
281 HD22 LEU 40 HD22 LEU 40 32.566 5.021 24.988
282 HD23 LEU 40 HD23 LEU 40 31.142 5.996 25.353
283 H LEU 41 HN LEU 41 33.085 5.746 29.269
284 HA LEU 41 HA LEU 41 32.071 5.883 31.902
285 HB2 LEU 41 HB2 LEU 41 34.759 5.447 30.670
286 HB3 LEU 41 HB1 LEU 41 34.680 5.787 32.396
287 HG LEU 41 HG LEU 41 34.611 3.331 31.821
288 HD11 LEU 41 HD11 LEU 41 33.482 3.050 33.748
289 HD12 LEU 41 HD12 LEU 41 31.975 3.572 32.999
290 HD13 LEU 41 HD13 LEU 41 33.070 4.763 33.695
291 HD21 LEU 41 HD21 LEU 41 31.778 3.782 30.917
292 HD22 LEU 41 HD22 LEU 41 32.826 2.393 30.635
293 HD23 LEU 41 HD23 LEU 41 33.101 3.897 29.756
294 H GLY 42 HN GLY 42 32.705 8.390 29.928
295 HA2 GLY 42 HA2 GLY 42 33.314 10.181 32.197
296 HA3 GLY 42 HA1 GLY 42 34.176 10.356 30.672
297 H THR 43 HN THR 43 31.055 9.311 30.084
298 HA THR 43 HA THR 43 29.939 12.029 29.939
299 HB THR 43 HB THR 43 29.130 11.529 27.617
300 HG1 THR 43 HG1 THR 43 31.117 9.677 27.245
301 HG21 THR 43 HG21 THR 43 32.134 11.525 28.029
302 HG22 THR 43 HG22 THR 43 31.100 12.954 28.016
303 HG23 THR 43 HG23 THR 43 31.303 11.999 26.547
304 H THR 44 HN THR 44 29.442 8.540 29.699
305 HA THR 44 HA THR 44 26.571 8.915 30.251
306 HB THR 44 HB THR 44 26.454 6.452 29.691
307 HG1 THR 44 HG1 THR 44 29.046 6.687 29.878
308 HG21 THR 44 HG21 THR 44 26.965 6.896 27.203
309 HG22 THR 44 HG22 THR 44 27.424 8.518 27.719
310 HG23 THR 44 HG23 THR 44 25.778 7.942 27.982
311 H GLY 45 HN GLY 45 29.278 6.816 31.264
312 HA2 GLY 45 HA2 GLY 45 28.020 5.747 33.543
313 HA3 GLY 45 HA1 GLY 45 29.760 5.823 33.284
314 H ASN 46 HN ASN 46 28.705 8.909 32.969
315 HA ASN 46 HA ASN 46 29.368 9.529 35.776
316 HB2 ASN 46 HB2 ASN 46 30.373 11.453 35.052
317 HB3 ASN 46 HB1 ASN 46 30.563 10.493 33.585
318 HD21 ASN 46 HD21 ASN 46 27.929 10.583 32.550
319 HD22 ASN 46 HD22 ASN 46 27.543 12.189 32.161
320 H GLY 47 HN GLY 47 26.753 9.287 33.702
321 HA2 GLY 47 HA2 GLY 47 25.213 11.377 35.108
322 HA3 GLY 47 HA1 GLY 47 24.766 10.643 33.571
323 H LEU 48 HN LEU 48 25.108 7.948 34.167
324 HA LEU 48 HA LEU 48 22.690 7.414 35.622
325 HB2 LEU 48 HB2 LEU 48 24.261 6.065 33.716
326 HB3 LEU 48 HB1 LEU 48 24.286 5.057 35.163
327 HG LEU 48 HG LEU 48 21.789 6.168 33.848
328 HD11 LEU 48 HD11 LEU 48 21.360 3.826 33.225
329 HD12 LEU 48 HD12 LEU 48 22.887 3.341 33.961
330 HD13 LEU 48 HD13 LEU 48 22.886 4.377 32.534
331 HD21 LEU 48 HD21 LEU 48 20.836 5.742 35.850
332 HD22 LEU 48 HD22 LEU 48 22.338 5.061 36.473
333 HD23 LEU 48 HD23 LEU 48 21.203 4.036 35.594
334 H VAL 49 HN VAL 49 26.020 6.213 36.095
335 HA VAL 49 HA VAL 49 25.737 5.065 38.576
336 HB VAL 49 HB VAL 49 28.118 6.672 37.620
337 HG11 VAL 49 HG11 VAL 49 29.292 4.893 39.076
338 HG12 VAL 49 HG12 VAL 49 27.701 4.600 39.779
339 HG13 VAL 49 HG13 VAL 49 28.447 6.192 39.919
340 HG21 VAL 49 HG21 VAL 49 26.912 4.397 36.483
341 HG22 VAL 49 HG22 VAL 49 28.291 3.780 37.393
342 HG23 VAL 49 HG23 VAL 49 28.532 5.007 36.150
343 H LEU 50 HN LEU 50 25.566 8.402 37.769
344 HA LEU 50 HA LEU 50 26.056 9.288 40.509
345 HB2 LEU 50 HB2 LEU 50 25.573 10.678 37.888
346 HB3 LEU 50 HB1 LEU 50 25.447 11.563 39.406
347 HG LEU 50 HG LEU 50 27.736 11.648 38.324
348 HD11 LEU 50 HD11 LEU 50 28.416 10.250 40.781
349 HD12 LEU 50 HD12 LEU 50 27.052 11.337 41.030
350 HD13 LEU 50 HD13 LEU 50 28.572 11.962 40.395
351 HD21 LEU 50 HD21 LEU 50 27.555 9.204 37.576
352 HD22 LEU 50 HD22 LEU 50 27.966 8.776 39.238
353 HD23 LEU 50 HD23 LEU 50 29.104 9.700 38.258
354 H TRP 51 HN TRP 51 23.419 8.538 38.393
355 HA TRP 51 HA TRP 51 21.377 10.065 39.607
356 HB2 TRP 51 HB2 TRP 51 20.161 9.123 37.980
357 HB3 TRP 51 HB1 TRP 51 21.567 8.155 37.542
358 HD1 TRP 51 HD1 TRP 51 21.857 5.818 39.059
359 HE1 TRP 51 HE1 TRP 51 20.011 4.177 39.801
360 HE3 TRP 51 HE3 TRP 51 17.756 8.824 38.579
361 HZ2 TRP 51 HZ2 TRP 51 17.172 4.144 40.145
362 HZ3 TRP 51 HZ3 TRP 51 15.497 7.963 39.119
363 HH2 TRP 51 HH2 TRP 51 15.199 5.629 39.902
364 H THR 52 HN THR 52 22.878 7.018 40.461
365 HA THR 52 HA THR 52 20.911 6.168 42.338
366 HB THR 52 HB THR 52 22.857 4.830 41.224
367 HG1 THR 52 HG1 THR 52 22.284 4.542 43.987
368 HG21 THR 52 HG21 THR 52 24.522 6.503 42.315
369 HG22 THR 52 HG22 THR 52 24.918 4.785 42.353
370 HG23 THR 52 HG23 THR 52 24.255 5.569 43.787
371 H VAL 53 HN VAL 53 23.117 8.711 42.390
372 HA VAL 53 HA VAL 53 23.592 8.689 45.256
373 HB VAL 53 HB VAL 53 24.166 10.877 43.244
374 HG11 VAL 53 HG11 VAL 53 25.828 11.569 44.939
375 HG12 VAL 53 HG12 VAL 53 25.293 10.261 45.994
376 HG13 VAL 53 HG13 VAL 53 24.196 11.587 45.606
377 HG21 VAL 53 HG21 VAL 53 25.952 8.635 44.244
378 HG22 VAL 53 HG22 VAL 53 26.425 9.920 43.133
379 HG23 VAL 53 HG23 VAL 53 25.238 8.716 42.634
380 H PHE 54 HN PHE 54 21.828 10.746 42.937
381 HA PHE 54 HA PHE 54 20.662 12.427 44.906
382 HB2 PHE 54 HB2 PHE 54 20.412 12.000 42.010
383 HB3 PHE 54 HB1 PHE 54 18.918 12.525 42.788
384 HD1 PHE 54 HD1 PHE 54 19.095 14.533 44.437
385 HD2 PHE 54 HD2 PHE 54 22.083 13.570 41.504
386 HE1 PHE 54 HE1 PHE 54 19.979 16.845 44.578
387 HE2 PHE 54 HE2 PHE 54 22.967 15.882 41.645
388 HZ PHE 54 HZ PHE 54 21.914 17.520 43.183
389 H ARG 55 HN ARG 55 20.245 9.216 44.512
390 HA ARG 55 HA ARG 55 17.352 9.190 44.990
391 HB2 ARG 55 HB2 ARG 55 19.398 7.082 44.352
392 HB3 ARG 55 HB1 ARG 55 17.822 6.637 45.009
393 HG2 ARG 55 HG2 ARG 55 17.790 8.580 42.765
394 HG3 ARG 55 HG1 ARG 55 18.283 6.937 42.356
395 HD2 ARG 55 HD2 ARG 55 15.836 7.226 42.134
396 HD3 ARG 55 HD1 ARG 55 16.239 6.046 43.378
397 HE ARG 55 HE ARG 55 15.410 7.522 44.992
398 HH11 ARG 55 HH21 ARG 55 15.701 9.024 41.889
399 HH12 ARG 55 HH22 ARG 55 14.814 10.441 42.338
400 HH21 ARG 55 HH11 ARG 55 14.245 9.378 45.590
401 HH22 ARG 55 HH12 ARG 55 13.990 10.642 44.434
402 H LYS 56 HN LYS 56 20.098 7.423 46.432
403 HA LYS 56 HA LYS 56 18.864 6.838 48.862
404 HB2 LYS 56 HB2 LYS 56 21.228 6.632 49.739
405 HB3 LYS 56 HB1 LYS 56 20.890 5.702 48.279
406 HG2 LYS 56 HG2 LYS 56 21.856 7.531 46.908
407 HG3 LYS 56 HG1 LYS 56 22.239 8.416 48.385
408 HD2 LYS 56 HD2 LYS 56 24.239 7.337 48.227
409 HD3 LYS 56 HD1 LYS 56 23.353 5.992 48.946
410 HE2 LYS 56 HE2 LYS 56 23.920 6.471 46.012
411 HE3 LYS 56 HE1 LYS 56 24.444 5.110 47.004
412 HZ1 LYS 56 HZ1 LYS 56 21.696 5.752 46.106
413 HZ2 LYS 56 HZ2 LYS 56 22.018 4.623 47.334
414 HZ3 LYS 56 HZ3 LYS 56 22.607 4.363 45.762
415 H LYS 57 HN LYS 57 20.658 9.701 47.851
416 HA LYS 57 HA LYS 57 20.460 10.895 50.505
417 HB2 LYS 57 HB2 LYS 57 21.704 11.762 47.899
418 HB3 LYS 57 HB1 LYS 57 21.552 12.864 49.270
419 HG2 LYS 57 HG2 LYS 57 23.130 11.761 50.507
420 HG3 LYS 57 HG1 LYS 57 22.668 10.180 49.875
421 HD2 LYS 57 HD2 LYS 57 24.919 10.843 49.087
422 HD3 LYS 57 HD1 LYS 57 23.786 10.687 47.745
423 HE2 LYS 57 HE2 LYS 57 23.649 12.989 47.413
424 HE3 LYS 57 HE1 LYS 57 24.119 13.358 49.072
425 HZ1 LYS 57 HZ1 LYS 57 26.101 13.760 48.139
426 HZ2 LYS 57 HZ2 LYS 57 25.770 12.833 46.754
427 HZ3 LYS 57 HZ3 LYS 57 26.284 12.075 48.184
428 H GLY 58 HN GLY 58 17.965 10.307 49.372
429 HA2 GLY 58 HA2 GLY 58 16.851 12.649 48.116
430 HA3 GLY 58 HA1 GLY 58 15.957 11.248 48.699
431 H HIS 59 HN HIS 59 17.683 14.144 49.826
432 HA HIS 59 HA HIS 59 16.862 14.167 52.481
433 HB2 HIS 59 HB2 HIS 59 18.111 15.978 50.680
434 HB3 HIS 59 HB1 HIS 59 16.806 16.847 51.488
435 HD2 HIS 59 HD2 HIS 59 20.259 15.233 52.362
436 HE1 HIS 59 HE1 HIS 59 18.692 16.915 55.904
437 HE2 HIS 59 HE2 HIS 59 20.741 15.841 54.855
438 H HIS 60 HN HIS 60 15.180 15.355 49.597
439 HA HIS 60 HA HIS 60 13.032 16.651 50.798
440 HB2 HIS 60 HB2 HIS 60 13.687 15.644 48.184
441 HB3 HIS 60 HB1 HIS 60 12.000 15.284 48.554
442 HD2 HIS 60 HD2 HIS 60 10.322 17.558 48.791
443 HE1 HIS 60 HE1 HIS 60 13.280 20.411 47.828
444 HE2 HIS 60 HE2 HIS 60 10.797 20.061 48.220
445 H HIS 61 HN HIS 61 11.548 15.950 52.179
446 HA HIS 61 HA HIS 61 11.181 13.144 52.708
447 HB2 HIS 61 HB2 HIS 61 9.400 14.010 54.290
448 HB3 HIS 61 HB1 HIS 61 11.029 14.622 54.580
449 HD2 HIS 61 HD2 HIS 61 10.957 17.352 54.914
450 HE1 HIS 61 HE1 HIS 61 7.657 18.196 52.420
451 HE2 HIS 61 HE2 HIS 61 9.398 19.217 53.960
452 H HIS 62 HN HIS 62 10.584 13.019 50.233
453 HA HIS 62 HA HIS 62 8.075 13.818 49.293
454 HB2 HIS 62 HB2 HIS 62 10.019 12.749 47.999
455 HB3 HIS 62 HB1 HIS 62 9.366 11.202 48.537
456 HD2 HIS 62 HD2 HIS 62 7.579 14.379 46.886
457 HE1 HIS 62 HE1 HIS 62 6.179 10.852 45.036
458 HE2 HIS 62 HE2 HIS 62 5.979 13.383 45.079
459 H HIS 63 HN HIS 63 6.043 12.967 49.397
460 HA HIS 63 HA HIS 63 5.227 11.540 51.643
461 HB2 HIS 63 HB2 HIS 63 4.009 12.544 49.218
462 HB3 HIS 63 HB1 HIS 63 3.331 10.977 49.657
463 HD2 HIS 63 HD2 HIS 63 2.988 11.115 52.811
464 HE1 HIS 63 HE1 HIS 63 1.344 14.970 52.309
465 HE2 HIS 63 HE2 HIS 63 1.581 13.018 53.915
466 H HIS 64 HN HIS 64 4.897 9.414 52.110
467 HA HIS 64 HA HIS 64 4.833 7.325 50.194
468 HB2 HIS 64 HB2 HIS 64 6.991 6.261 50.691
469 HB3 HIS 64 HB1 HIS 64 7.226 7.855 49.973
470 HD2 HIS 64 HD2 HIS 64 8.937 6.089 52.647
471 HE1 HIS 64 HE1 HIS 64 8.469 9.947 54.297
472 HE2 HIS 64 HE2 HIS 64 9.700 7.737 54.523
Start of MODEL 25
1 H1 MET 1 HT1 MET 1 42.625 25.077 27.895
2 H2 MET 1 HT2 MET 1 43.672 26.143 28.703
3 H3 MET 1 HT3 MET 1 43.989 25.692 27.097
4 HA MET 1 HA MET 1 41.390 26.802 27.312
5 HB2 MET 1 HB2 MET 1 43.697 28.588 28.141
6 HB3 MET 1 HB1 MET 1 42.013 29.071 27.937
7 HG2 MET 1 HG2 MET 1 42.052 26.831 29.699
8 HG3 MET 1 HG1 MET 1 43.272 27.972 30.264
9 HE1 MET 1 HE1 MET 1 39.666 27.033 30.778
10 HE2 MET 1 HE2 MET 1 39.801 27.354 29.051
11 HE3 MET 1 HE3 MET 1 38.761 28.367 30.049
12 H GLU 2 HN GLU 2 42.851 29.366 26.318
13 HA GLU 2 HA GLU 2 43.855 28.334 23.750
14 HB2 GLU 2 HB2 GLU 2 41.758 30.503 24.013
15 HB3 GLU 2 HB1 GLU 2 42.481 29.931 22.509
16 HG2 GLU 2 HG2 GLU 2 40.583 28.624 22.517
17 HG3 GLU 2 HG1 GLU 2 41.652 27.573 23.444
18 H GLU 3 HN GLU 3 45.920 29.028 23.938
19 HA GLU 3 HA GLU 3 46.470 31.728 24.922
20 HB2 GLU 3 HB2 GLU 3 47.806 29.511 25.435
21 HB3 GLU 3 HB1 GLU 3 48.598 29.886 23.905
22 HG2 GLU 3 HG2 GLU 3 48.748 32.315 24.979
23 HG3 GLU 3 HG1 GLU 3 48.641 31.402 26.483
24 H GLY 4 HN GLY 4 45.040 31.707 22.530
25 HA2 GLY 4 HA2 GLY 4 45.990 33.557 20.921
26 HA3 GLY 4 HA1 GLY 4 46.986 32.205 20.393
27 H GLY 5 HN GLY 5 45.352 30.093 20.321
28 HA2 GLY 5 HA2 GLY 5 43.782 29.037 19.013
29 HA3 GLY 5 HA1 GLY 5 42.746 30.420 19.354
30 H ASP 6 HN ASP 6 42.403 29.336 16.951
31 HA ASP 6 HA ASP 6 43.344 31.427 15.159
32 HB2 ASP 6 HB2 ASP 6 44.446 28.721 15.142
33 HB3 ASP 6 HB1 ASP 6 43.760 29.189 13.586
34 H PHE 7 HN PHE 7 42.478 30.661 12.794
35 HA PHE 7 HA PHE 7 39.795 29.502 13.085
36 HB2 PHE 7 HB2 PHE 7 38.957 31.613 13.138
37 HB3 PHE 7 HB1 PHE 7 40.422 32.321 12.459
38 HD1 PHE 7 HD2 PHE 7 37.423 30.280 11.566
39 HD2 PHE 7 HD1 PHE 7 40.546 32.877 10.168
40 HE1 PHE 7 HE2 PHE 7 36.345 30.374 9.334
41 HE2 PHE 7 HE1 PHE 7 39.469 32.970 7.936
42 HZ PHE 7 HZ PHE 7 37.369 31.719 7.519
43 H ASP 8 HN ASP 8 39.970 27.812 11.738
44 HA ASP 8 HA ASP 8 40.453 28.329 8.917
45 HB2 ASP 8 HB2 ASP 8 42.682 27.745 10.203
46 HB3 ASP 8 HB1 ASP 8 42.056 26.100 10.103
47 H ASN 9 HN ASN 9 38.081 27.663 10.062
48 HA ASN 9 HA ASN 9 37.599 25.022 8.913
49 HB2 ASN 9 HB2 ASN 9 38.060 24.952 11.507
50 HB3 ASN 9 HB1 ASN 9 36.403 25.547 11.603
51 HD21 ASN 9 HD21 ASN 9 35.176 24.181 9.480
52 HD22 ASN 9 HD22 ASN 9 35.246 22.509 9.766
53 H TYR 10 HN TYR 10 36.884 27.368 7.764
54 HA TYR 10 HA TYR 10 34.583 28.686 8.358
55 HB2 TYR 10 HB2 TYR 10 36.046 28.855 6.251
56 HB3 TYR 10 HB1 TYR 10 35.016 27.587 5.586
57 HD1 TYR 10 HD1 TYR 10 35.036 31.035 6.966
58 HD2 TYR 10 HD2 TYR 10 32.772 28.038 4.883
59 HE1 TYR 10 HE1 TYR 10 33.308 32.725 6.414
60 HE2 TYR 10 HE2 TYR 10 31.043 29.729 4.331
61 HH TYR 10 HH TYR 10 31.491 33.147 5.141
62 H TYR 11 HN TYR 11 34.518 25.813 6.239
63 HA TYR 11 HA TYR 11 31.769 25.382 6.350
64 HB2 TYR 11 HB2 TYR 11 32.552 22.891 5.943
65 HB3 TYR 11 HB1 TYR 11 32.795 24.123 4.705
66 HD1 TYR 11 HD2 TYR 11 34.457 22.385 7.556
67 HD2 TYR 11 HD1 TYR 11 34.976 24.744 4.003
68 HE1 TYR 11 HE2 TYR 11 36.907 22.019 7.670
69 HE2 TYR 11 HE1 TYR 11 37.425 24.378 4.119
70 HH TYR 11 HH TYR 11 38.839 22.059 6.225
71 H GLY 12 HN GLY 12 30.664 23.490 7.379
72 HA2 GLY 12 HA2 GLY 12 31.340 23.430 10.233
73 HA3 GLY 12 HA1 GLY 12 29.804 22.951 9.519
74 H ALA 13 HN ALA 13 29.433 20.839 9.652
75 HA ALA 13 HA ALA 13 31.418 18.934 10.336
76 HB1 ALA 13 HB1 ALA 13 28.771 18.268 9.055
77 HB2 ALA 13 HB2 ALA 13 28.886 18.806 10.732
78 HB3 ALA 13 HB3 ALA 13 29.692 17.321 10.225
79 H ASP 14 HN ASP 14 32.903 19.694 8.522
80 HA ASP 14 HA ASP 14 32.533 17.882 6.230
81 HB2 ASP 14 HB2 ASP 14 31.903 20.286 5.663
82 HB3 ASP 14 HB1 ASP 14 33.603 20.686 5.907
83 H ASN 15 HN ASN 15 34.064 17.224 8.385
84 HA ASN 15 HA ASN 15 36.775 17.361 7.248
85 HB2 ASN 15 HB2 ASN 15 36.038 17.932 10.125
86 HB3 ASN 15 HB1 ASN 15 37.683 17.620 9.573
87 HD21 ASN 15 HD21 ASN 15 35.481 20.113 10.147
88 HD22 ASN 15 HD22 ASN 15 36.203 21.312 9.186
89 H GLN 16 HN GLN 16 35.723 16.101 10.360
90 HA GLN 16 HA GLN 16 36.294 14.007 11.254
91 HB2 GLN 16 HB2 GLN 16 34.605 12.350 10.380
92 HB3 GLN 16 HB1 GLN 16 33.939 13.893 10.913
93 HG2 GLN 16 HG2 GLN 16 34.703 13.453 8.031
94 HG3 GLN 16 HG1 GLN 16 33.130 12.944 8.640
95 HE21 GLN 16 HE21 GLN 16 32.847 14.847 6.779
96 HE22 GLN 16 HE22 GLN 16 32.576 16.380 7.454
97 H SER 17 HN SER 17 38.359 14.507 9.573
98 HA SER 17 HA SER 17 38.925 12.984 7.400
99 HB2 SER 17 HB2 SER 17 41.276 12.814 8.295
100 HB3 SER 17 HB1 SER 17 40.604 14.442 8.300
101 HG SER 17 HG SER 17 40.230 14.263 10.477
102 H GLU 18 HN GLU 18 38.245 10.949 7.078
103 HA GLU 18 HA GLU 18 37.797 8.970 8.968
104 HB2 GLU 18 HB2 GLU 18 38.170 9.063 6.048
105 HB3 GLU 18 HB1 GLU 18 38.543 7.505 6.787
106 HG2 GLU 18 HG2 GLU 18 36.355 7.437 7.856
107 HG3 GLU 18 HG1 GLU 18 35.980 9.052 7.255
108 H CYS 19 HN CYS 19 39.410 8.798 10.509
109 HA CYS 19 HA CYS 19 42.115 8.090 9.607
110 HB2 CYS 19 HB2 CYS 19 41.055 8.724 12.372
111 HB3 CYS 19 HB1 CYS 19 42.742 8.402 11.974
112 HG CYS 19 HG CYS 19 42.765 10.582 10.521
113 H GLU 20 HN GLU 20 40.214 6.148 9.074
114 HA GLU 20 HA GLU 20 41.151 3.988 10.827
115 HB2 GLU 20 HB2 GLU 20 38.241 4.436 10.117
116 HB3 GLU 20 HB1 GLU 20 38.885 3.037 10.978
117 HG2 GLU 20 HG2 GLU 20 39.825 4.687 12.682
118 HG3 GLU 20 HG1 GLU 20 38.834 5.916 11.900
119 H TYR 21 HN TYR 21 39.556 4.996 7.845
120 HA TYR 21 HA TYR 21 39.412 2.549 6.517
121 HB2 TYR 21 HB2 TYR 21 38.785 3.797 4.739
122 HB3 TYR 21 HB1 TYR 21 38.850 5.152 5.865
123 HD1 TYR 21 HD2 TYR 21 40.900 6.571 6.006
124 HD2 TYR 21 HD1 TYR 21 40.435 3.524 3.015
125 HE1 TYR 21 HE2 TYR 21 42.746 7.579 4.691
126 HE2 TYR 21 HE1 TYR 21 42.281 4.531 1.700
127 HH TYR 21 HH TYR 21 44.421 6.769 2.957
128 H THR 22 HN THR 22 42.150 4.155 7.627
129 HA THR 22 HA THR 22 43.908 2.939 5.604
130 HB THR 22 HB THR 22 44.843 4.721 7.837
131 HG1 THR 22 HG1 THR 22 43.444 5.387 5.489
132 HG21 THR 22 HG21 THR 22 46.243 3.378 6.008
133 HG22 THR 22 HG22 THR 22 46.721 4.994 6.527
134 HG23 THR 22 HG23 THR 22 45.831 4.780 5.020
135 H ASP 23 HN ASP 23 42.709 2.464 8.747
136 HA ASP 23 HA ASP 23 44.758 0.392 9.242
137 HB2 ASP 23 HB2 ASP 23 43.680 2.486 11.102
138 HB3 ASP 23 HB1 ASP 23 44.221 0.933 11.740
139 H TRP 24 HN TRP 24 41.913 0.522 8.130
140 HA TRP 24 HA TRP 24 40.033 -0.540 9.854
141 HB2 TRP 24 HB2 TRP 24 39.305 -1.837 7.664
142 HB3 TRP 24 HB1 TRP 24 39.150 -0.088 7.773
143 HD1 TRP 24 HD1 TRP 24 42.583 -1.673 7.326
144 HE1 TRP 24 HE1 TRP 24 43.493 -1.049 4.998
145 HE3 TRP 24 HE3 TRP 24 38.442 0.551 5.329
146 HZ2 TRP 24 HZ2 TRP 24 42.585 0.227 2.604
147 HZ3 TRP 24 HZ3 TRP 24 38.493 1.460 3.024
148 HH2 TRP 24 HH2 TRP 24 40.557 1.302 1.661
149 H LYS 25 HN LYS 25 40.836 -2.927 7.507
150 HA LYS 25 HA LYS 25 41.010 -4.968 9.516
151 HB2 LYS 25 HB2 LYS 25 41.434 -6.470 7.569
152 HB3 LYS 25 HB1 LYS 25 39.983 -5.485 7.386
153 HG2 LYS 25 HG2 LYS 25 40.808 -4.489 5.544
154 HG3 LYS 25 HG1 LYS 25 42.308 -4.078 6.376
155 HD2 LYS 25 HD2 LYS 25 43.151 -6.369 5.973
156 HD3 LYS 25 HD1 LYS 25 41.661 -6.758 5.114
157 HE2 LYS 25 HE2 LYS 25 42.144 -5.219 3.363
158 HE3 LYS 25 HE1 LYS 25 43.415 -4.435 4.302
159 HZ1 LYS 25 HZ1 LYS 25 43.472 -7.212 3.254
160 HZ2 LYS 25 HZ2 LYS 25 44.680 -6.508 4.218
161 HZ3 LYS 25 HZ3 LYS 25 44.370 -5.902 2.661
162 H SER 26 HN SER 26 42.873 -3.888 10.632
163 HA SER 26 HA SER 26 45.309 -5.256 9.926
164 HB2 SER 26 HB2 SER 26 45.540 -3.341 8.442
165 HB3 SER 26 HB1 SER 26 45.202 -2.235 9.769
166 HG SER 26 HG SER 26 47.235 -4.085 10.166
167 H SER 27 HN SER 27 44.060 -2.490 11.805
168 HA SER 27 HA SER 27 44.382 -3.710 14.315
169 HB2 SER 27 HB2 SER 27 46.353 -2.229 15.065
170 HB3 SER 27 HB1 SER 27 46.727 -3.663 14.114
171 HG SER 27 HG SER 27 46.996 -0.998 13.501
172 H GLY 28 HN GLY 28 42.650 -1.918 12.745
173 HA2 GLY 28 HA2 GLY 28 42.600 0.451 14.519
174 HA3 GLY 28 HA1 GLY 28 41.944 0.414 12.885
175 H ALA 29 HN ALA 29 41.467 -2.356 14.888
176 HA ALA 29 HA ALA 29 38.681 -1.522 15.438
177 HB1 ALA 29 HB1 ALA 29 39.304 -3.381 13.575
178 HB2 ALA 29 HB2 ALA 29 37.820 -3.420 14.527
179 HB3 ALA 29 HB3 ALA 29 39.202 -4.403 15.009
180 H LEU 30 HN LEU 30 41.431 -1.919 16.922
181 HA LEU 30 HA LEU 30 40.275 -3.396 19.215
182 HB2 LEU 30 HB2 LEU 30 42.589 -4.025 19.819
183 HB3 LEU 30 HB1 LEU 30 42.128 -4.657 18.238
184 HG LEU 30 HG LEU 30 43.161 -2.174 17.607
185 HD11 LEU 30 HD11 LEU 30 43.924 -2.076 20.042
186 HD12 LEU 30 HD12 LEU 30 45.189 -1.855 18.834
187 HD13 LEU 30 HD13 LEU 30 45.016 -3.405 19.657
188 HD21 LEU 30 HD21 LEU 30 43.584 -4.307 16.437
189 HD22 LEU 30 HD22 LEU 30 44.611 -4.838 17.770
190 HD23 LEU 30 HD23 LEU 30 45.098 -3.468 16.771
191 H ILE 31 HN ILE 31 42.255 -0.694 18.123
192 HA ILE 31 HA ILE 31 42.747 0.344 20.738
193 HB ILE 31 HB ILE 31 43.413 1.033 17.993
194 HG12 ILE 31 HG12 ILE 31 44.928 0.300 19.888
195 HG13 ILE 31 HG11 ILE 31 45.470 1.720 18.998
196 HG21 ILE 31 HG21 ILE 31 42.725 3.319 19.873
197 HG22 ILE 31 HG22 ILE 31 42.033 3.005 18.280
198 HG23 ILE 31 HG23 ILE 31 43.720 3.481 18.429
199 HD11 ILE 31 HD11 ILE 31 45.239 1.573 21.739
200 HD12 ILE 31 HD12 ILE 31 43.732 2.366 21.286
201 HD13 ILE 31 HD13 ILE 31 45.275 3.069 20.810
202 HA PRO 32 HA PRO 32 39.073 3.312 19.368
203 HB2 PRO 32 HB2 PRO 32 37.359 1.247 18.091
204 HB3 PRO 32 HB1 PRO 32 37.641 2.932 17.616
205 HG2 PRO 32 HG2 PRO 32 38.694 0.901 16.252
206 HG3 PRO 32 HG1 PRO 32 39.561 2.430 16.469
207 HD2 PRO 32 HD2 PRO 32 39.998 -0.196 17.839
208 HD3 PRO 32 HD1 PRO 32 41.186 1.029 17.341
209 H ALA 33 HN ALA 33 38.505 -0.131 20.040
210 HA ALA 33 HA ALA 33 36.228 0.129 21.655
211 HB1 ALA 33 HB1 ALA 33 37.455 -1.993 20.721
212 HB2 ALA 33 HB2 ALA 33 36.560 -2.095 22.238
213 HB3 ALA 33 HB3 ALA 33 38.317 -1.934 22.259
214 H ILE 34 HN ILE 34 39.637 0.565 22.365
215 HA ILE 34 HA ILE 34 39.115 0.872 25.224
216 HB ILE 34 HB ILE 34 41.625 0.895 23.553
217 HG12 ILE 34 HG12 ILE 34 41.253 -0.832 25.939
218 HG13 ILE 34 HG11 ILE 34 40.201 -1.186 24.567
219 HG21 ILE 34 HG21 ILE 34 42.115 2.524 25.192
220 HG22 ILE 34 HG22 ILE 34 42.722 1.026 25.898
221 HG23 ILE 34 HG23 ILE 34 41.176 1.688 26.429
222 HD11 ILE 34 HD11 ILE 34 42.053 -1.544 23.110
223 HD12 ILE 34 HD12 ILE 34 42.457 -2.398 24.599
224 HD13 ILE 34 HD13 ILE 34 43.187 -0.830 24.256
225 H TYR 35 HN TYR 35 39.068 2.777 22.456
226 HA TYR 35 HA TYR 35 40.037 5.225 23.661
227 HB2 TYR 35 HB2 TYR 35 40.039 4.519 21.139
228 HB3 TYR 35 HB1 TYR 35 38.387 5.136 21.158
229 HD1 TYR 35 HD1 TYR 35 37.983 7.510 22.016
230 HD2 TYR 35 HD2 TYR 35 41.887 5.996 21.052
231 HE1 TYR 35 HE1 TYR 35 38.846 9.831 21.864
232 HE2 TYR 35 HE2 TYR 35 42.748 8.316 20.901
233 HH TYR 35 HH TYR 35 41.150 10.954 22.121
234 H MET 36 HN MET 36 36.913 3.756 22.894
235 HA MET 36 HA MET 36 35.410 6.059 23.776
236 HB2 MET 36 HB2 MET 36 34.299 3.284 23.408
237 HB3 MET 36 HB1 MET 36 33.485 4.834 23.192
238 HG2 MET 36 HG2 MET 36 35.550 5.082 21.424
239 HG3 MET 36 HG1 MET 36 35.230 3.351 21.328
240 HE1 MET 36 HE1 MET 36 33.535 6.879 21.402
241 HE2 MET 36 HE2 MET 36 32.801 6.837 19.800
242 HE3 MET 36 HE3 MET 36 34.542 6.627 19.969
243 H LEU 37 HN LEU 37 36.446 2.983 25.129
244 HA LEU 37 HA LEU 37 34.822 2.806 27.373
245 HB2 LEU 37 HB2 LEU 37 37.335 1.687 26.500
246 HB3 LEU 37 HB1 LEU 37 37.399 2.054 28.223
247 HG LEU 37 HG LEU 37 35.288 0.821 28.568
248 HD11 LEU 37 HD11 LEU 37 35.301 0.907 25.633
249 HD12 LEU 37 HD12 LEU 37 33.952 0.672 26.744
250 HD13 LEU 37 HD13 LEU 37 34.959 -0.699 26.278
251 HD21 LEU 37 HD21 LEU 37 37.558 -0.315 28.627
252 HD22 LEU 37 HD22 LEU 37 37.241 -0.869 26.983
253 HD23 LEU 37 HD23 LEU 37 36.199 -1.393 28.306
254 H VAL 38 HN VAL 38 37.129 5.189 26.590
255 HA VAL 38 HA VAL 38 37.346 6.079 29.391
256 HB VAL 38 HB VAL 38 38.846 7.016 26.932
257 HG11 VAL 38 HG11 VAL 38 38.869 8.808 28.471
258 HG12 VAL 38 HG12 VAL 38 40.361 7.937 28.823
259 HG13 VAL 38 HG13 VAL 38 38.952 7.727 29.862
260 HG21 VAL 38 HG21 VAL 38 40.754 5.837 28.201
261 HG22 VAL 38 HG22 VAL 38 39.577 4.799 27.396
262 HG23 VAL 38 HG23 VAL 38 39.484 5.050 29.139
263 H PHE 39 HN PHE 39 35.654 6.662 26.515
264 HA PHE 39 HA PHE 39 35.103 9.470 27.158
265 HB2 PHE 39 HB2 PHE 39 35.541 8.531 24.776
266 HB3 PHE 39 HB1 PHE 39 33.879 7.949 24.873
267 HD1 PHE 39 HD2 PHE 39 32.002 9.563 25.217
268 HD2 PHE 39 HD1 PHE 39 36.035 10.866 24.519
269 HE1 PHE 39 HE2 PHE 39 31.173 11.834 24.667
270 HE2 PHE 39 HE1 PHE 39 35.206 13.137 23.969
271 HZ PHE 39 HZ PHE 39 32.775 13.621 24.042
272 H LEU 40 HN LEU 40 33.104 6.657 26.220
273 HA LEU 40 HA LEU 40 30.667 7.617 27.131
274 HB2 LEU 40 HB2 LEU 40 29.962 5.251 27.259
275 HB3 LEU 40 HB1 LEU 40 30.866 5.581 25.782
276 HG LEU 40 HG LEU 40 32.870 4.888 27.540
277 HD11 LEU 40 HD11 LEU 40 32.192 3.012 28.829
278 HD12 LEU 40 HD12 LEU 40 30.639 2.904 28.001
279 HD13 LEU 40 HD13 LEU 40 30.948 4.226 29.125
280 HD21 LEU 40 HD21 LEU 40 32.723 2.638 26.334
281 HD22 LEU 40 HD22 LEU 40 32.794 4.061 25.296
282 HD23 LEU 40 HD23 LEU 40 31.254 3.250 25.575
283 H LEU 41 HN LEU 41 33.398 6.594 28.937
284 HA LEU 41 HA LEU 41 32.033 5.875 31.354
285 HB2 LEU 41 HB2 LEU 41 34.692 5.822 30.394
286 HB3 LEU 41 HB1 LEU 41 34.701 6.837 31.836
287 HG LEU 41 HG LEU 41 33.498 4.058 31.668
288 HD11 LEU 41 HD11 LEU 41 36.098 4.424 31.633
289 HD12 LEU 41 HD12 LEU 41 35.408 3.245 32.747
290 HD13 LEU 41 HD13 LEU 41 35.877 4.842 33.332
291 HD21 LEU 41 HD21 LEU 41 33.174 6.244 33.525
292 HD22 LEU 41 HD22 LEU 41 33.975 4.896 34.330
293 HD23 LEU 41 HD23 LEU 41 32.412 4.655 33.551
294 H GLY 42 HN GLY 42 33.735 8.792 30.232
295 HA2 GLY 42 HA2 GLY 42 32.982 10.282 32.607
296 HA3 GLY 42 HA1 GLY 42 33.889 10.895 31.228
297 H THR 43 HN THR 43 31.153 9.224 30.222
298 HA THR 43 HA THR 43 29.415 11.589 30.285
299 HB THR 43 HB THR 43 30.012 10.105 27.720
300 HG1 THR 43 HG1 THR 43 31.208 12.278 28.962
301 HG21 THR 43 HG21 THR 43 28.309 11.295 26.860
302 HG22 THR 43 HG22 THR 43 28.947 12.795 27.535
303 HG23 THR 43 HG23 THR 43 27.895 11.767 28.508
304 H THR 44 HN THR 44 28.146 9.790 27.956
305 HA THR 44 HA THR 44 26.363 8.349 27.832
306 HB THR 44 HB THR 44 27.746 7.032 30.181
307 HG1 THR 44 HG1 THR 44 28.075 5.799 27.856
308 HG21 THR 44 HG21 THR 44 25.606 6.148 28.241
309 HG22 THR 44 HG22 THR 44 25.556 6.127 30.004
310 HG23 THR 44 HG23 THR 44 26.593 4.994 29.138
311 H GLY 45 HN GLY 45 26.824 8.091 31.329
312 HA2 GLY 45 HA2 GLY 45 24.417 9.704 31.803
313 HA3 GLY 45 HA1 GLY 45 24.427 8.037 32.375
314 H ASN 46 HN ASN 46 26.750 10.737 32.366
315 HA ASN 46 HA ASN 46 26.888 10.631 35.285
316 HB2 ASN 46 HB2 ASN 46 28.872 9.598 35.341
317 HB3 ASN 46 HB1 ASN 46 28.847 9.442 33.586
318 HD21 ASN 46 HD21 ASN 46 29.831 11.232 32.319
319 HD22 ASN 46 HD22 ASN 46 30.994 12.237 33.041
320 H GLY 47 HN GLY 47 26.636 12.640 35.951
321 HA2 GLY 47 HA2 GLY 47 26.949 14.919 36.175
322 HA3 GLY 47 HA1 GLY 47 28.231 14.812 34.973
323 H LEU 48 HN LEU 48 27.114 14.021 32.718
324 HA LEU 48 HA LEU 48 25.835 16.254 31.669
325 HB2 LEU 48 HB2 LEU 48 26.806 13.865 30.657
326 HB3 LEU 48 HB1 LEU 48 25.079 13.782 30.311
327 HG LEU 48 HG LEU 48 25.247 16.124 29.367
328 HD11 LEU 48 HD11 LEU 48 28.061 15.982 28.755
329 HD12 LEU 48 HD12 LEU 48 27.839 15.950 30.503
330 HD13 LEU 48 HD13 LEU 48 27.170 17.277 29.555
331 HD21 LEU 48 HD21 LEU 48 26.260 15.366 27.241
332 HD22 LEU 48 HD22 LEU 48 25.206 14.125 27.919
333 HD23 LEU 48 HD23 LEU 48 26.957 13.974 28.072
334 H VAL 49 HN VAL 49 24.390 13.166 32.708
335 HA VAL 49 HA VAL 49 21.763 13.520 32.082
336 HB VAL 49 HB VAL 49 23.061 12.326 34.518
337 HG11 VAL 49 HG11 VAL 49 20.665 11.357 34.873
338 HG12 VAL 49 HG12 VAL 49 20.134 12.768 33.958
339 HG13 VAL 49 HG13 VAL 49 21.012 12.978 35.472
340 HG21 VAL 49 HG21 VAL 49 21.283 10.837 32.655
341 HG22 VAL 49 HG22 VAL 49 22.808 10.343 33.391
342 HG23 VAL 49 HG23 VAL 49 22.812 11.408 31.986
343 H LEU 50 HN LEU 50 23.294 14.706 35.081
344 HA LEU 50 HA LEU 50 20.986 16.183 35.903
345 HB2 LEU 50 HB2 LEU 50 23.821 16.681 36.811
346 HB3 LEU 50 HB1 LEU 50 22.325 16.962 37.703
347 HG LEU 50 HG LEU 50 22.167 14.272 37.057
348 HD11 LEU 50 HD11 LEU 50 24.609 14.521 36.332
349 HD12 LEU 50 HD12 LEU 50 24.280 13.263 37.525
350 HD13 LEU 50 HD13 LEU 50 24.981 14.800 38.034
351 HD21 LEU 50 HD21 LEU 50 21.525 15.123 39.204
352 HD22 LEU 50 HD22 LEU 50 23.152 15.721 39.527
353 HD23 LEU 50 HD23 LEU 50 22.839 13.985 39.505
354 H TRP 51 HN TRP 51 24.191 17.250 34.739
355 HA TRP 51 HA TRP 51 23.802 19.947 34.553
356 HB2 TRP 51 HB2 TRP 51 25.881 19.620 33.755
357 HB3 TRP 51 HB1 TRP 51 25.494 17.991 33.205
358 HD1 TRP 51 HD1 TRP 51 24.296 17.782 30.773
359 HE1 TRP 51 HE1 TRP 51 24.491 19.290 28.691
360 HE3 TRP 51 HE3 TRP 51 26.221 21.999 32.916
361 HZ2 TRP 51 HZ2 TRP 51 25.350 21.935 28.023
362 HZ3 TRP 51 HZ3 TRP 51 26.717 23.996 31.535
363 HH2 TRP 51 HH2 TRP 51 26.286 23.969 29.094
364 H THR 52 HN THR 52 22.431 17.456 32.510
365 HA THR 52 HA THR 52 21.433 19.313 30.529
366 HB THR 52 HB THR 52 21.030 16.367 31.035
367 HG1 THR 52 HG1 THR 52 22.273 17.973 29.071
368 HG21 THR 52 HG21 THR 52 19.572 18.229 29.175
369 HG22 THR 52 HG22 THR 52 18.917 16.944 30.190
370 HG23 THR 52 HG23 THR 52 19.826 16.542 28.733
371 H VAL 53 HN VAL 53 20.079 17.433 33.218
372 HA VAL 53 HA VAL 53 17.384 18.156 32.883
373 HB VAL 53 HB VAL 53 18.876 17.546 35.446
374 HG11 VAL 53 HG11 VAL 53 15.978 17.856 34.727
375 HG12 VAL 53 HG12 VAL 53 16.830 18.382 36.179
376 HG13 VAL 53 HG13 VAL 53 16.434 16.678 35.957
377 HG21 VAL 53 HG21 VAL 53 18.462 15.933 33.202
378 HG22 VAL 53 HG22 VAL 53 17.170 15.469 34.309
379 HG23 VAL 53 HG23 VAL 53 18.853 15.371 34.828
380 H PHE 54 HN PHE 54 19.942 20.161 33.398
381 HA PHE 54 HA PHE 54 18.291 22.157 34.832
382 HB2 PHE 54 HB2 PHE 54 20.846 21.187 35.468
383 HB3 PHE 54 HB1 PHE 54 21.113 22.787 34.776
384 HD1 PHE 54 HD1 PHE 54 18.952 24.433 35.538
385 HD2 PHE 54 HD2 PHE 54 20.757 21.258 37.800
386 HE1 PHE 54 HE1 PHE 54 18.158 25.480 37.640
387 HE2 PHE 54 HE2 PHE 54 19.963 22.305 39.901
388 HZ PHE 54 HZ PHE 54 18.664 24.416 39.822
389 H ARG 55 HN ARG 55 19.602 21.301 31.878
390 HA ARG 55 HA ARG 55 20.067 24.037 30.961
391 HB2 ARG 55 HB2 ARG 55 20.461 21.308 29.767
392 HB3 ARG 55 HB1 ARG 55 20.443 22.738 28.734
393 HG2 ARG 55 HG2 ARG 55 22.114 22.918 31.184
394 HG3 ARG 55 HG1 ARG 55 22.690 21.822 29.928
395 HD2 ARG 55 HD2 ARG 55 23.598 24.098 29.614
396 HD3 ARG 55 HD1 ARG 55 22.562 23.628 28.269
397 HE ARG 55 HE ARG 55 21.022 25.258 28.936
398 HH11 ARG 55 HH21 ARG 55 23.496 24.763 31.303
399 HH12 ARG 55 HH22 ARG 55 23.067 26.154 32.243
400 HH21 ARG 55 HH11 ARG 55 20.454 27.083 30.161
401 HH22 ARG 55 HH12 ARG 55 21.344 27.467 31.596
402 H LYS 56 HN LYS 56 17.626 21.578 30.914
403 HA LYS 56 HA LYS 56 16.121 22.834 28.761
404 HB2 LYS 56 HB2 LYS 56 15.011 20.691 30.539
405 HB3 LYS 56 HB1 LYS 56 14.730 20.974 28.822
406 HG2 LYS 56 HG2 LYS 56 17.342 20.496 28.673
407 HG3 LYS 56 HG1 LYS 56 17.031 19.618 30.170
408 HD2 LYS 56 HD2 LYS 56 16.599 17.937 28.640
409 HD3 LYS 56 HD1 LYS 56 14.989 18.647 28.764
410 HE2 LYS 56 HE2 LYS 56 15.565 18.371 26.408
411 HE3 LYS 56 HE1 LYS 56 15.515 20.090 26.796
412 HZ1 LYS 56 HZ1 LYS 56 18.019 18.515 26.896
413 HZ2 LYS 56 HZ2 LYS 56 17.840 20.205 26.869
414 HZ3 LYS 56 HZ3 LYS 56 17.495 19.290 25.481
415 H LYS 57 HN LYS 57 16.395 23.056 32.169
416 HA LYS 57 HA LYS 57 13.718 24.155 32.544
417 HB2 LYS 57 HB2 LYS 57 15.788 24.376 34.676
418 HB3 LYS 57 HB1 LYS 57 14.079 23.972 34.807
419 HG2 LYS 57 HG2 LYS 57 16.230 22.131 33.711
420 HG3 LYS 57 HG1 LYS 57 15.516 22.023 35.316
421 HD2 LYS 57 HD2 LYS 57 13.316 22.113 33.592
422 HD3 LYS 57 HD1 LYS 57 14.471 21.055 32.782
423 HE2 LYS 57 HE2 LYS 57 14.741 19.833 34.984
424 HE3 LYS 57 HE1 LYS 57 13.379 20.774 35.591
425 HZ1 LYS 57 HZ1 LYS 57 12.865 19.588 33.034
426 HZ2 LYS 57 HZ2 LYS 57 11.942 19.534 34.459
427 HZ3 LYS 57 HZ3 LYS 57 13.212 18.431 34.224
428 H GLY 58 HN GLY 58 15.344 25.542 30.685
429 HA2 GLY 58 HA2 GLY 58 16.111 27.998 32.125
430 HA3 GLY 58 HA1 GLY 58 16.611 27.573 30.491
431 H HIS 59 HN HIS 59 13.938 28.720 32.470
432 HA HIS 59 HA HIS 59 12.065 29.075 30.362
433 HB2 HIS 59 HB2 HIS 59 12.197 30.673 32.922
434 HB3 HIS 59 HB1 HIS 59 10.775 30.324 31.938
435 HD2 HIS 59 HD2 HIS 59 11.651 26.992 31.684
436 HE1 HIS 59 HE1 HIS 59 10.859 27.100 35.830
437 HE2 HIS 59 HE2 HIS 59 11.150 25.576 33.820
438 H HIS 60 HN HIS 60 14.864 30.814 31.326
439 HA HIS 60 HA HIS 60 14.284 33.431 30.584
440 HB2 HIS 60 HB2 HIS 60 16.695 31.799 30.913
441 HB3 HIS 60 HB1 HIS 60 16.879 33.084 29.719
442 HD2 HIS 60 HD2 HIS 60 15.328 35.548 31.093
443 HE1 HIS 60 HE1 HIS 60 17.531 34.690 34.590
444 HE2 HIS 60 HE2 HIS 60 16.130 36.448 33.408
445 H HIS 61 HN HIS 61 13.012 33.651 28.775
446 HA HIS 61 HA HIS 61 14.016 32.542 26.239
447 HB2 HIS 61 HB2 HIS 61 11.375 33.135 27.327
448 HB3 HIS 61 HB1 HIS 61 11.603 33.799 25.709
449 HD2 HIS 61 HD2 HIS 61 11.301 30.309 27.450
450 HE1 HIS 61 HE1 HIS 61 11.764 29.644 23.306
451 HE2 HIS 61 HE2 HIS 61 11.247 28.537 25.533
452 H HIS 62 HN HIS 62 14.609 33.827 24.542
453 HA HIS 62 HA HIS 62 14.117 36.654 24.495
454 HB2 HIS 62 HB2 HIS 62 15.877 36.991 25.969
455 HB3 HIS 62 HB1 HIS 62 16.770 35.587 25.383
456 HD2 HIS 62 HD2 HIS 62 18.749 36.252 23.573
457 HE1 HIS 62 HE1 HIS 62 17.306 40.066 22.484
458 HE2 HIS 62 HE2 HIS 62 19.203 38.406 22.170
459 H HIS 63 HN HIS 63 14.268 37.426 22.451
460 HA HIS 63 HA HIS 63 15.958 36.199 20.468
461 HB2 HIS 63 HB2 HIS 63 13.459 35.046 20.815
462 HB3 HIS 63 HB1 HIS 63 13.224 36.149 19.460
463 HD2 HIS 63 HD2 HIS 63 16.265 33.681 20.273
464 HE1 HIS 63 HE1 HIS 63 15.100 33.205 16.243
465 HE2 HIS 63 HE2 HIS 63 16.740 32.440 18.026
466 H HIS 64 HN HIS 64 16.218 37.488 18.645
467 HA HIS 64 HA HIS 64 15.880 40.237 18.914
468 HB2 HIS 64 HB2 HIS 64 17.335 38.829 17.250
469 HB3 HIS 64 HB1 HIS 64 15.931 38.977 16.192
470 HD2 HIS 64 HD2 HIS 64 18.761 40.706 15.576
471 HE1 HIS 64 HE1 HIS 64 16.403 44.028 16.681
472 HE2 HIS 64 HE2 HIS 64 18.531 43.305 15.498
Start of MODEL 26
1 H1 MET 1 HT1 MET 1 45.075 -6.481 -34.920
2 H2 MET 1 HT2 MET 1 46.140 -7.703 -35.424
3 H3 MET 1 HT3 MET 1 46.504 -6.073 -35.735
4 HA MET 1 HA MET 1 47.848 -6.500 -33.936
5 HB2 MET 1 HB2 MET 1 45.175 -5.411 -33.066
6 HB3 MET 1 HB1 MET 1 46.497 -5.585 -31.910
7 HG2 MET 1 HG2 MET 1 47.850 -4.032 -33.027
8 HG3 MET 1 HG1 MET 1 46.972 -4.213 -34.545
9 HE1 MET 1 HE1 MET 1 44.374 -3.826 -34.614
10 HE2 MET 1 HE2 MET 1 45.299 -2.521 -35.351
11 HE3 MET 1 HE3 MET 1 43.911 -2.141 -34.335
12 H GLU 2 HN GLU 2 47.688 -7.238 -31.457
13 HA GLU 2 HA GLU 2 46.151 -9.730 -31.233
14 HB2 GLU 2 HB2 GLU 2 48.458 -10.627 -30.218
15 HB3 GLU 2 HB1 GLU 2 48.050 -10.809 -31.924
16 HG2 GLU 2 HG2 GLU 2 49.415 -9.001 -32.570
17 HG3 GLU 2 HG1 GLU 2 49.473 -8.345 -30.936
18 H GLU 3 HN GLU 3 45.018 -9.411 -29.425
19 HA GLU 3 HA GLU 3 46.341 -9.057 -26.909
20 HB2 GLU 3 HB2 GLU 3 46.427 -6.744 -27.381
21 HB3 GLU 3 HB1 GLU 3 44.822 -6.749 -28.115
22 HG2 GLU 3 HG2 GLU 3 43.733 -6.827 -26.065
23 HG3 GLU 3 HG1 GLU 3 45.100 -7.587 -25.252
24 H GLY 4 HN GLY 4 45.250 -10.836 -26.180
25 HA2 GLY 4 HA2 GLY 4 43.399 -11.487 -24.788
26 HA3 GLY 4 HA1 GLY 4 42.344 -10.501 -25.794
27 H GLY 5 HN GLY 5 44.799 -12.647 -27.088
28 HA2 GLY 5 HA2 GLY 5 42.915 -13.973 -28.784
29 HA3 GLY 5 HA1 GLY 5 44.618 -14.383 -28.600
30 H ASP 6 HN ASP 6 44.728 -14.932 -25.879
31 HA ASP 6 HA ASP 6 43.195 -17.444 -25.775
32 HB2 ASP 6 HB2 ASP 6 45.848 -17.065 -25.438
33 HB3 ASP 6 HB1 ASP 6 45.306 -16.896 -23.770
34 H PHE 7 HN PHE 7 43.063 -18.063 -23.204
35 HA PHE 7 HA PHE 7 41.901 -15.779 -21.760
36 HB2 PHE 7 HB2 PHE 7 40.344 -17.722 -23.080
37 HB3 PHE 7 HB1 PHE 7 40.269 -18.122 -21.364
38 HD1 PHE 7 HD2 PHE 7 39.923 -15.269 -23.756
39 HD2 PHE 7 HD1 PHE 7 38.913 -16.870 -19.899
40 HE1 PHE 7 HE2 PHE 7 38.356 -13.383 -23.383
41 HE2 PHE 7 HE1 PHE 7 37.346 -14.985 -19.527
42 HZ PHE 7 HZ PHE 7 37.067 -13.241 -21.268
43 H ASP 8 HN ASP 8 41.569 -16.225 -19.467
44 HA ASP 8 HA ASP 8 43.039 -18.544 -18.419
45 HB2 ASP 8 HB2 ASP 8 44.484 -16.387 -18.634
46 HB3 ASP 8 HB1 ASP 8 43.547 -15.827 -17.251
47 H ASN 9 HN ASN 9 40.277 -18.210 -18.478
48 HA ASN 9 HA ASN 9 38.397 -18.143 -17.151
49 HB2 ASN 9 HB2 ASN 9 40.012 -19.953 -16.128
50 HB3 ASN 9 HB1 ASN 9 40.119 -18.805 -14.795
51 HD21 ASN 9 HD21 ASN 9 38.135 -18.339 -13.581
52 HD22 ASN 9 HD22 ASN 9 36.785 -19.362 -13.694
53 H TYR 10 HN TYR 10 39.630 -15.637 -17.500
54 HA TYR 10 HA TYR 10 40.234 -14.097 -15.318
55 HB2 TYR 10 HB2 TYR 10 39.936 -13.449 -17.828
56 HB3 TYR 10 HB1 TYR 10 38.286 -13.048 -17.348
57 HD1 TYR 10 HD1 TYR 10 41.860 -12.436 -16.430
58 HD2 TYR 10 HD2 TYR 10 37.816 -10.997 -16.293
59 HE1 TYR 10 HE1 TYR 10 42.657 -10.289 -15.480
60 HE2 TYR 10 HE2 TYR 10 38.612 -8.849 -15.345
61 HH TYR 10 HH TYR 10 41.922 -7.976 -15.298
62 H TYR 11 HN TYR 11 39.191 -14.654 -13.423
63 HA TYR 11 HA TYR 11 36.445 -15.066 -13.076
64 HB2 TYR 11 HB2 TYR 11 36.898 -14.472 -10.674
65 HB3 TYR 11 HB1 TYR 11 37.986 -15.694 -11.335
66 HD1 TYR 11 HD2 TYR 11 37.668 -12.114 -10.417
67 HD2 TYR 11 HD1 TYR 11 40.332 -15.257 -11.634
68 HE1 TYR 11 HE2 TYR 11 39.614 -10.673 -9.880
69 HE2 TYR 11 HE1 TYR 11 42.277 -13.816 -11.098
70 HH TYR 11 HH TYR 11 42.446 -10.931 -10.969
71 H GLY 12 HN GLY 12 35.522 -13.365 -11.152
72 HA2 GLY 12 HA2 GLY 12 35.755 -10.640 -11.431
73 HA3 GLY 12 HA1 GLY 12 34.647 -11.123 -12.711
74 H ALA 13 HN ALA 13 32.997 -12.892 -11.772
75 HA ALA 13 HA ALA 13 31.416 -11.470 -9.844
76 HB1 ALA 13 HB1 ALA 13 30.529 -12.856 -11.780
77 HB2 ALA 13 HB2 ALA 13 29.758 -13.143 -10.220
78 HB3 ALA 13 HB3 ALA 13 30.953 -14.284 -10.837
79 H ASP 14 HN ASP 14 33.148 -11.529 -8.158
80 HA ASP 14 HA ASP 14 32.767 -13.907 -6.461
81 HB2 ASP 14 HB2 ASP 14 35.223 -13.591 -5.779
82 HB3 ASP 14 HB1 ASP 14 34.912 -14.344 -7.342
83 H ASN 15 HN ASN 15 31.224 -11.858 -5.951
84 HA ASN 15 HA ASN 15 32.378 -10.700 -3.519
85 HB2 ASN 15 HB2 ASN 15 31.333 -9.145 -5.864
86 HB3 ASN 15 HB1 ASN 15 31.170 -8.500 -4.232
87 HD21 ASN 15 HD21 ASN 15 33.092 -8.023 -6.756
88 HD22 ASN 15 HD22 ASN 15 34.603 -7.853 -6.002
89 H GLN 16 HN GLN 16 29.440 -9.817 -5.257
90 HA GLN 16 HA GLN 16 27.307 -9.570 -4.311
91 HB2 GLN 16 HB2 GLN 16 26.244 -11.859 -4.286
92 HB3 GLN 16 HB1 GLN 16 27.096 -11.438 -5.772
93 HG2 GLN 16 HG2 GLN 16 28.493 -12.926 -3.554
94 HG3 GLN 16 HG1 GLN 16 27.527 -13.782 -4.752
95 HE21 GLN 16 HE21 GLN 16 30.149 -14.461 -4.853
96 HE22 GLN 16 HE22 GLN 16 30.946 -13.701 -6.145
97 H SER 17 HN SER 17 28.959 -9.081 -2.210
98 HA SER 17 HA SER 17 27.435 -10.249 -0.001
99 HB2 SER 17 HB2 SER 17 29.291 -11.731 0.013
100 HB3 SER 17 HB1 SER 17 30.433 -10.426 -0.297
101 HG SER 17 HG SER 17 30.363 -11.074 1.917
102 H GLU 18 HN GLU 18 26.804 -8.674 1.318
103 HA GLU 18 HA GLU 18 28.533 -6.314 1.669
104 HB2 GLU 18 HB2 GLU 18 26.125 -6.324 0.189
105 HB3 GLU 18 HB1 GLU 18 25.772 -5.520 1.718
106 HG2 GLU 18 HG2 GLU 18 27.803 -4.097 1.380
107 HG3 GLU 18 HG1 GLU 18 28.009 -4.833 -0.207
108 H CYS 19 HN CYS 19 28.878 -5.953 3.758
109 HA CYS 19 HA CYS 19 26.955 -5.763 5.756
110 HB2 CYS 19 HB2 CYS 19 27.725 -8.513 5.156
111 HB3 CYS 19 HB1 CYS 19 28.022 -8.082 6.839
112 HG CYS 19 HG CYS 19 25.568 -7.889 7.246
113 H GLU 20 HN GLU 20 28.049 -4.238 6.829
114 HA GLU 20 HA GLU 20 29.628 -3.306 8.222
115 HB2 GLU 20 HB2 GLU 20 29.730 -5.838 8.979
116 HB3 GLU 20 HB1 GLU 20 31.299 -5.783 8.178
117 HG2 GLU 20 HG2 GLU 20 31.903 -3.796 9.540
118 HG3 GLU 20 HG1 GLU 20 30.357 -3.921 10.376
119 H TYR 21 HN TYR 21 29.988 -4.093 5.133
120 HA TYR 21 HA TYR 21 32.745 -3.957 4.586
121 HB2 TYR 21 HB2 TYR 21 32.138 -3.599 2.339
122 HB3 TYR 21 HB1 TYR 21 30.792 -4.527 3.000
123 HD1 TYR 21 HD2 TYR 21 28.755 -3.228 3.887
124 HD2 TYR 21 HD1 TYR 21 31.777 -1.467 1.395
125 HE1 TYR 21 HE2 TYR 21 27.196 -1.394 3.295
126 HE2 TYR 21 HE1 TYR 21 30.218 0.369 0.803
127 HH TYR 21 HH TYR 21 27.187 0.326 0.956
128 H THR 22 HN THR 22 30.913 -1.719 6.144
129 HA THR 22 HA THR 22 32.190 0.637 4.963
130 HB THR 22 HB THR 22 30.086 0.298 7.107
131 HG1 THR 22 HG1 THR 22 29.523 0.064 4.865
132 HG21 THR 22 HG21 THR 22 31.758 2.637 6.322
133 HG22 THR 22 HG22 THR 22 31.043 2.239 7.884
134 HG23 THR 22 HG23 THR 22 30.043 2.929 6.607
135 H ASP 23 HN ASP 23 32.148 -1.244 7.952
136 HA ASP 23 HA ASP 23 34.253 0.473 9.081
137 HB2 ASP 23 HB2 ASP 23 32.210 -0.174 10.436
138 HB3 ASP 23 HB1 ASP 23 32.829 -1.824 10.432
139 H TRP 24 HN TRP 24 34.693 -1.414 6.848
140 HA TRP 24 HA TRP 24 35.894 -3.802 7.568
141 HB2 TRP 24 HB2 TRP 24 37.442 -3.221 5.514
142 HB3 TRP 24 HB1 TRP 24 35.725 -3.538 5.279
143 HD1 TRP 24 HD1 TRP 24 36.821 -0.243 6.827
144 HE1 TRP 24 HE1 TRP 24 36.301 1.669 5.181
145 HE3 TRP 24 HE3 TRP 24 35.467 -2.959 2.720
146 HZ2 TRP 24 HZ2 TRP 24 35.427 2.004 2.478
147 HZ3 TRP 24 HZ3 TRP 24 34.795 -1.819 0.625
148 HH2 TRP 24 HH2 TRP 24 34.774 0.658 0.498
149 H LYS 25 HN LYS 25 38.316 -1.753 6.268
150 HA LYS 25 HA LYS 25 39.977 -2.216 8.629
151 HB2 LYS 25 HB2 LYS 25 41.804 -1.335 7.152
152 HB3 LYS 25 HB1 LYS 25 40.997 -2.771 6.519
153 HG2 LYS 25 HG2 LYS 25 40.330 -1.658 4.682
154 HG3 LYS 25 HG1 LYS 25 39.607 -0.383 5.663
155 HD2 LYS 25 HD2 LYS 25 41.838 0.663 5.925
156 HD3 LYS 25 HD1 LYS 25 42.534 -0.591 4.900
157 HE2 LYS 25 HE2 LYS 25 40.310 0.427 3.485
158 HE3 LYS 25 HE1 LYS 25 41.171 1.830 4.117
159 HZ1 LYS 25 HZ1 LYS 25 43.212 0.971 3.170
160 HZ2 LYS 25 HZ2 LYS 25 42.030 1.142 1.961
161 HZ3 LYS 25 HZ3 LYS 25 42.399 -0.396 2.581
162 H SER 26 HN SER 26 38.851 -0.692 9.996
163 HA SER 26 HA SER 26 39.258 2.142 9.301
164 HB2 SER 26 HB2 SER 26 37.015 1.014 10.205
165 HB3 SER 26 HB1 SER 26 37.785 1.326 11.758
166 HG SER 26 HG SER 26 37.137 3.157 9.695
167 H SER 27 HN SER 27 39.684 -0.115 12.030
168 HA SER 27 HA SER 27 42.203 1.147 12.719
169 HB2 SER 27 HB2 SER 27 41.221 1.309 15.185
170 HB3 SER 27 HB1 SER 27 41.073 2.646 14.047
171 HG SER 27 HG SER 27 39.161 0.675 14.741
172 H GLY 28 HN GLY 28 40.795 -1.524 12.051
173 HA2 GLY 28 HA2 GLY 28 41.073 -3.744 12.591
174 HA3 GLY 28 HA1 GLY 28 42.538 -3.231 13.423
175 H ALA 29 HN ALA 29 39.787 -1.634 14.569
176 HA ALA 29 HA ALA 29 38.690 -1.698 16.587
177 HB1 ALA 29 HB1 ALA 29 38.761 -4.575 15.736
178 HB2 ALA 29 HB2 ALA 29 37.384 -3.477 15.840
179 HB3 ALA 29 HB3 ALA 29 38.098 -4.140 17.311
180 H LEU 30 HN LEU 30 41.762 -2.174 16.355
181 HA LEU 30 HA LEU 30 42.181 -3.215 19.091
182 HB2 LEU 30 HB2 LEU 30 44.042 -3.016 16.716
183 HB3 LEU 30 HB1 LEU 30 44.578 -3.445 18.342
184 HG LEU 30 HG LEU 30 42.233 -4.963 17.398
185 HD11 LEU 30 HD11 LEU 30 43.381 -4.878 15.273
186 HD12 LEU 30 HD12 LEU 30 43.695 -6.461 15.985
187 HD13 LEU 30 HD13 LEU 30 44.933 -5.206 16.043
188 HD21 LEU 30 HD21 LEU 30 44.928 -5.769 18.541
189 HD22 LEU 30 HD22 LEU 30 43.509 -6.807 18.405
190 HD23 LEU 30 HD23 LEU 30 43.486 -5.422 19.497
191 H ILE 31 HN ILE 31 41.233 -0.821 19.322
192 HA ILE 31 HA ILE 31 43.034 0.710 20.696
193 HB ILE 31 HB ILE 31 43.435 1.067 17.845
194 HG12 ILE 31 HG12 ILE 31 45.151 0.821 19.693
195 HG13 ILE 31 HG11 ILE 31 45.447 2.160 18.592
196 HG21 ILE 31 HG21 ILE 31 43.479 3.554 17.838
197 HG22 ILE 31 HG22 ILE 31 42.645 3.569 19.387
198 HG23 ILE 31 HG23 ILE 31 41.844 2.916 17.957
199 HD11 ILE 31 HD11 ILE 31 43.761 2.911 20.874
200 HD12 ILE 31 HD12 ILE 31 45.208 3.692 20.240
201 HD13 ILE 31 HD13 ILE 31 45.356 2.334 21.354
202 HA PRO 32 HA PRO 32 39.091 3.294 19.515
203 HB2 PRO 32 HB2 PRO 32 37.335 1.237 18.338
204 HB3 PRO 32 HB1 PRO 32 37.696 2.874 17.759
205 HG2 PRO 32 HG2 PRO 32 38.616 0.684 16.517
206 HG3 PRO 32 HG1 PRO 32 39.538 2.197 16.582
207 HD2 PRO 32 HD2 PRO 32 39.908 -0.307 18.196
208 HD3 PRO 32 HD1 PRO 32 41.137 0.767 17.493
209 H ALA 33 HN ALA 33 38.658 -0.160 20.230
210 HA ALA 33 HA ALA 33 36.424 -0.048 21.872
211 HB1 ALA 33 HB1 ALA 33 38.576 -1.915 21.362
212 HB2 ALA 33 HB2 ALA 33 36.908 -2.238 21.837
213 HB3 ALA 33 HB3 ALA 33 38.130 -1.923 23.069
214 H ILE 34 HN ILE 34 39.687 0.988 22.488
215 HA ILE 34 HA ILE 34 39.272 1.229 25.359
216 HB ILE 34 HB ILE 34 41.579 2.166 23.638
217 HG12 ILE 34 HG12 ILE 34 41.386 -0.309 25.375
218 HG13 ILE 34 HG11 ILE 34 41.090 -0.329 23.636
219 HG21 ILE 34 HG21 ILE 34 42.780 2.112 25.846
220 HG22 ILE 34 HG22 ILE 34 41.227 1.826 26.631
221 HG23 ILE 34 HG23 ILE 34 41.513 3.335 25.764
222 HD11 ILE 34 HD11 ILE 34 43.571 -0.603 24.870
223 HD12 ILE 34 HD12 ILE 34 43.561 1.071 24.312
224 HD13 ILE 34 HD13 ILE 34 43.297 -0.243 23.165
225 H TYR 35 HN TYR 35 39.628 3.353 22.540
226 HA TYR 35 HA TYR 35 39.592 5.828 23.810
227 HB2 TYR 35 HB2 TYR 35 39.468 4.906 21.175
228 HB3 TYR 35 HB1 TYR 35 37.996 5.854 21.387
229 HD1 TYR 35 HD1 TYR 35 38.242 8.187 22.498
230 HD2 TYR 35 HD2 TYR 35 41.525 5.983 20.819
231 HE1 TYR 35 HE1 TYR 35 39.566 10.279 22.339
232 HE2 TYR 35 HE2 TYR 35 42.848 8.075 20.661
233 HH TYR 35 HH TYR 35 41.748 11.059 22.110
234 H MET 36 HN MET 36 36.851 3.846 22.705
235 HA MET 36 HA MET 36 34.845 5.665 23.592
236 HB2 MET 36 HB2 MET 36 34.708 2.694 23.025
237 HB3 MET 36 HB1 MET 36 33.311 3.739 23.283
238 HG2 MET 36 HG2 MET 36 34.990 4.993 21.347
239 HG3 MET 36 HG1 MET 36 34.769 3.313 20.862
240 HE1 MET 36 HE1 MET 36 32.420 5.892 22.827
241 HE2 MET 36 HE2 MET 36 31.628 6.586 21.415
242 HE3 MET 36 HE3 MET 36 33.379 6.692 21.575
243 H LEU 37 HN LEU 37 36.139 2.642 24.967
244 HA LEU 37 HA LEU 37 34.603 2.453 27.248
245 HB2 LEU 37 HB2 LEU 37 36.325 0.796 26.518
246 HB3 LEU 37 HB1 LEU 37 37.577 1.904 27.073
247 HG LEU 37 HG LEU 37 36.603 1.824 29.365
248 HD11 LEU 37 HD11 LEU 37 34.609 0.118 27.935
249 HD12 LEU 37 HD12 LEU 37 34.367 1.261 29.255
250 HD13 LEU 37 HD13 LEU 37 35.042 -0.335 29.582
251 HD21 LEU 37 HD21 LEU 37 38.428 0.278 28.659
252 HD22 LEU 37 HD22 LEU 37 37.209 -0.914 28.209
253 HD23 LEU 37 HD23 LEU 37 37.388 -0.428 29.896
254 H VAL 38 HN VAL 38 37.068 4.765 26.474
255 HA VAL 38 HA VAL 38 37.167 5.745 29.241
256 HB VAL 38 HB VAL 38 38.751 6.549 26.789
257 HG11 VAL 38 HG11 VAL 38 40.187 7.563 28.751
258 HG12 VAL 38 HG12 VAL 38 38.652 7.546 29.620
259 HG13 VAL 38 HG13 VAL 38 38.808 8.463 28.121
260 HG21 VAL 38 HG21 VAL 38 38.988 4.249 28.230
261 HG22 VAL 38 HG22 VAL 38 40.029 5.322 29.165
262 HG23 VAL 38 HG23 VAL 38 40.351 5.056 27.452
263 H PHE 39 HN PHE 39 35.699 6.388 26.204
264 HA PHE 39 HA PHE 39 35.217 9.199 26.673
265 HB2 PHE 39 HB2 PHE 39 35.358 7.956 24.399
266 HB3 PHE 39 HB1 PHE 39 33.684 7.501 24.721
267 HD1 PHE 39 HD1 PHE 39 35.990 10.317 24.100
268 HD2 PHE 39 HD2 PHE 39 31.905 9.154 24.740
269 HE1 PHE 39 HE1 PHE 39 35.233 12.557 23.347
270 HE2 PHE 39 HE2 PHE 39 31.149 11.392 23.987
271 HZ PHE 39 HZ PHE 39 32.812 13.094 23.290
272 H LEU 40 HN LEU 40 32.948 6.473 26.242
273 HA LEU 40 HA LEU 40 30.747 7.786 27.406
274 HB2 LEU 40 HB2 LEU 40 29.739 5.531 27.551
275 HB3 LEU 40 HB1 LEU 40 30.469 5.828 25.974
276 HG LEU 40 HG LEU 40 32.580 4.773 27.403
277 HD11 LEU 40 HD11 LEU 40 31.823 2.919 28.685
278 HD12 LEU 40 HD12 LEU 40 30.173 3.076 28.083
279 HD13 LEU 40 HD13 LEU 40 30.816 4.269 29.211
280 HD21 LEU 40 HD21 LEU 40 32.150 2.733 26.065
281 HD22 LEU 40 HD22 LEU 40 31.907 4.192 25.104
282 HD23 LEU 40 HD23 LEU 40 30.516 3.306 25.728
283 H LEU 41 HN LEU 41 33.554 6.946 28.877
284 HA LEU 41 HA LEU 41 32.437 5.989 31.388
285 HB2 LEU 41 HB2 LEU 41 35.011 5.985 30.134
286 HB3 LEU 41 HB1 LEU 41 35.146 6.786 31.700
287 HG LEU 41 HG LEU 41 33.817 4.095 31.263
288 HD11 LEU 41 HD11 LEU 41 36.590 4.799 31.403
289 HD12 LEU 41 HD12 LEU 41 35.875 3.188 31.324
290 HD13 LEU 41 HD13 LEU 41 36.158 3.952 32.889
291 HD21 LEU 41 HD21 LEU 41 34.709 4.613 33.940
292 HD22 LEU 41 HD22 LEU 41 33.060 4.358 33.368
293 HD23 LEU 41 HD23 LEU 41 33.740 5.984 33.400
294 H GLY 42 HN GLY 42 33.406 8.984 29.929
295 HA2 GLY 42 HA2 GLY 42 33.342 10.385 32.513
296 HA3 GLY 42 HA1 GLY 42 33.904 11.059 30.985
297 H THR 43 HN THR 43 31.491 9.889 29.615
298 HA THR 43 HA THR 43 29.352 11.572 30.726
299 HB THR 43 HB THR 43 30.529 12.951 29.052
300 HG1 THR 43 HG1 THR 43 28.055 12.594 29.251
301 HG21 THR 43 HG21 THR 43 29.694 11.468 26.710
302 HG22 THR 43 HG22 THR 43 30.776 10.496 27.708
303 HG23 THR 43 HG23 THR 43 31.295 12.079 27.126
304 H THR 44 HN THR 44 28.053 11.142 27.986
305 HA THR 44 HA THR 44 26.501 9.700 27.101
306 HB THR 44 HB THR 44 28.453 7.582 28.035
307 HG1 THR 44 HG1 THR 44 29.007 7.840 25.691
308 HG21 THR 44 HG21 THR 44 26.219 7.614 25.995
309 HG22 THR 44 HG22 THR 44 26.361 6.578 27.415
310 HG23 THR 44 HG23 THR 44 27.459 6.361 26.051
311 H GLY 45 HN GLY 45 27.639 7.520 29.651
312 HA2 GLY 45 HA2 GLY 45 24.894 7.461 30.728
313 HA3 GLY 45 HA1 GLY 45 26.095 6.188 30.923
314 H ASN 46 HN ASN 46 27.243 9.396 31.285
315 HA ASN 46 HA ASN 46 27.037 9.231 34.228
316 HB2 ASN 46 HB2 ASN 46 29.511 10.466 33.364
317 HB3 ASN 46 HB1 ASN 46 29.261 9.138 34.496
318 HD21 ASN 46 HD21 ASN 46 28.255 7.098 32.960
319 HD22 ASN 46 HD22 ASN 46 29.323 6.704 31.701
320 H GLY 47 HN GLY 47 25.656 10.882 34.601
321 HA2 GLY 47 HA2 GLY 47 26.133 13.416 34.972
322 HA3 GLY 47 HA1 GLY 47 26.071 13.441 33.212
323 H LEU 48 HN LEU 48 24.006 11.186 33.431
324 HA LEU 48 HA LEU 48 21.701 12.728 34.413
325 HB2 LEU 48 HB2 LEU 48 22.135 13.008 31.873
326 HB3 LEU 48 HB1 LEU 48 21.573 11.341 31.747
327 HG LEU 48 HG LEU 48 19.600 12.267 33.280
328 HD11 LEU 48 HD11 LEU 48 20.884 14.561 33.185
329 HD12 LEU 48 HD12 LEU 48 19.126 14.542 33.047
330 HD13 LEU 48 HD13 LEU 48 20.124 14.704 31.601
331 HD21 LEU 48 HD21 LEU 48 19.888 12.668 30.287
332 HD22 LEU 48 HD22 LEU 48 18.353 12.774 31.148
333 HD23 LEU 48 HD23 LEU 48 19.238 11.249 31.108
334 H VAL 49 HN VAL 49 23.316 9.759 33.865
335 HA VAL 49 HA VAL 49 21.110 7.977 34.113
336 HB VAL 49 HB VAL 49 24.085 7.686 34.485
337 HG11 VAL 49 HG11 VAL 49 23.456 5.165 34.579
338 HG12 VAL 49 HG12 VAL 49 21.875 5.735 35.110
339 HG13 VAL 49 HG13 VAL 49 23.312 6.113 36.060
340 HG21 VAL 49 HG21 VAL 49 23.102 7.858 32.194
341 HG22 VAL 49 HG22 VAL 49 22.108 6.445 32.546
342 HG23 VAL 49 HG23 VAL 49 23.864 6.295 32.488
343 H LEU 50 HN LEU 50 22.905 9.869 36.372
344 HA LEU 50 HA LEU 50 21.931 8.292 38.650
345 HB2 LEU 50 HB2 LEU 50 23.311 10.168 39.884
346 HB3 LEU 50 HB1 LEU 50 24.138 8.825 39.097
347 HG LEU 50 HG LEU 50 24.532 10.187 37.104
348 HD11 LEU 50 HD11 LEU 50 22.856 12.193 38.622
349 HD12 LEU 50 HD12 LEU 50 22.616 11.587 36.983
350 HD13 LEU 50 HD13 LEU 50 23.949 12.688 37.330
351 HD21 LEU 50 HD21 LEU 50 26.146 11.704 38.032
352 HD22 LEU 50 HD22 LEU 50 26.066 10.328 39.132
353 HD23 LEU 50 HD23 LEU 50 25.247 11.836 39.543
354 H TRP 51 HN TRP 51 20.665 10.544 36.716
355 HA TRP 51 HA TRP 51 19.553 12.287 38.783
356 HB2 TRP 51 HB2 TRP 51 19.671 13.716 37.050
357 HB3 TRP 51 HB1 TRP 51 19.904 12.405 35.894
358 HD1 TRP 51 HD1 TRP 51 17.675 11.187 34.961
359 HE1 TRP 51 HE1 TRP 51 15.281 12.094 34.649
360 HE3 TRP 51 HE3 TRP 51 17.897 15.317 37.957
361 HZ2 TRP 51 HZ2 TRP 51 13.674 14.281 35.550
362 HZ3 TRP 51 HZ3 TRP 51 15.923 16.794 38.212
363 HH2 TRP 51 HH2 TRP 51 13.814 16.282 37.013
364 H THR 52 HN THR 52 18.739 9.463 36.976
365 HA THR 52 HA THR 52 15.884 9.711 37.599
366 HB THR 52 HB THR 52 17.506 7.882 35.851
367 HG1 THR 52 HG1 THR 52 15.608 9.870 35.617
368 HG21 THR 52 HG21 THR 52 15.192 6.765 35.453
369 HG22 THR 52 HG22 THR 52 14.784 7.407 37.045
370 HG23 THR 52 HG23 THR 52 16.126 6.276 36.866
371 H VAL 53 HN VAL 53 18.758 8.007 38.581
372 HA VAL 53 HA VAL 53 17.377 5.970 40.084
373 HB VAL 53 HB VAL 53 20.266 6.866 40.227
374 HG11 VAL 53 HG11 VAL 53 19.779 5.590 42.175
375 HG12 VAL 53 HG12 VAL 53 20.493 4.440 41.045
376 HG13 VAL 53 HG13 VAL 53 18.746 4.475 41.280
377 HG21 VAL 53 HG21 VAL 53 19.749 4.336 38.911
378 HG22 VAL 53 HG22 VAL 53 20.610 5.748 38.298
379 HG23 VAL 53 HG23 VAL 53 18.859 5.634 38.117
380 H PHE 54 HN PHE 54 18.273 9.237 40.611
381 HA PHE 54 HA PHE 54 18.051 8.949 43.532
382 HB2 PHE 54 HB2 PHE 54 19.899 10.277 43.206
383 HB3 PHE 54 HB1 PHE 54 19.275 10.964 41.706
384 HD1 PHE 54 HD2 PHE 54 18.676 10.922 45.400
385 HD2 PHE 54 HD1 PHE 54 18.239 13.073 41.708
386 HE1 PHE 54 HE2 PHE 54 17.839 12.894 46.649
387 HE2 PHE 54 HE1 PHE 54 17.401 15.046 42.956
388 HZ PHE 54 HZ PHE 54 17.201 14.956 45.427
389 H ARG 55 HN ARG 55 16.233 9.796 40.802
390 HA ARG 55 HA ARG 55 14.501 11.694 42.163
391 HB2 ARG 55 HB2 ARG 55 14.987 10.866 39.434
392 HB3 ARG 55 HB1 ARG 55 13.261 10.842 39.795
393 HG2 ARG 55 HG2 ARG 55 13.943 13.067 38.993
394 HG3 ARG 55 HG1 ARG 55 13.417 13.148 40.675
395 HD2 ARG 55 HD2 ARG 55 16.236 12.535 40.549
396 HD3 ARG 55 HD1 ARG 55 15.896 13.992 39.621
397 HE ARG 55 HE ARG 55 15.703 13.691 42.490
398 HH11 ARG 55 HH21 ARG 55 14.626 15.391 39.675
399 HH12 ARG 55 HH22 ARG 55 14.190 16.826 40.539
400 HH21 ARG 55 HH11 ARG 55 15.133 15.571 43.631
401 HH22 ARG 55 HH12 ARG 55 14.476 16.929 42.779
402 H LYS 56 HN LYS 56 14.365 8.338 41.021
403 HA LYS 56 HA LYS 56 11.656 7.935 41.897
404 HB2 LYS 56 HB2 LYS 56 12.110 5.553 41.396
405 HB3 LYS 56 HB1 LYS 56 12.568 6.609 40.060
406 HG2 LYS 56 HG2 LYS 56 14.923 6.616 41.133
407 HG3 LYS 56 HG1 LYS 56 14.359 5.217 42.046
408 HD2 LYS 56 HD2 LYS 56 13.564 4.449 39.600
409 HD3 LYS 56 HD1 LYS 56 14.920 5.475 39.132
410 HE2 LYS 56 HE2 LYS 56 16.197 4.171 41.024
411 HE3 LYS 56 HE1 LYS 56 14.929 2.968 40.785
412 HZ1 LYS 56 HZ1 LYS 56 16.570 2.340 39.296
413 HZ2 LYS 56 HZ2 LYS 56 16.942 3.938 38.859
414 HZ3 LYS 56 HZ3 LYS 56 15.499 3.221 38.319
415 H LYS 57 HN LYS 57 14.871 7.243 43.202
416 HA LYS 57 HA LYS 57 13.748 5.961 45.564
417 HB2 LYS 57 HB2 LYS 57 16.524 6.462 44.530
418 HB3 LYS 57 HB1 LYS 57 16.278 6.019 46.220
419 HG2 LYS 57 HG2 LYS 57 15.562 3.897 45.711
420 HG3 LYS 57 HG1 LYS 57 14.838 4.392 44.183
421 HD2 LYS 57 HD2 LYS 57 16.818 2.993 43.777
422 HD3 LYS 57 HD1 LYS 57 17.102 4.636 43.201
423 HE2 LYS 57 HE2 LYS 57 19.032 3.717 44.498
424 HE3 LYS 57 HE1 LYS 57 18.353 5.174 45.223
425 HZ1 LYS 57 HZ1 LYS 57 18.750 3.433 46.866
426 HZ2 LYS 57 HZ2 LYS 57 17.696 2.393 46.033
427 HZ3 LYS 57 HZ3 LYS 57 17.101 3.812 46.753
428 H GLY 58 HN GLY 58 12.867 8.599 45.217
429 HA2 GLY 58 HA2 GLY 58 14.439 10.303 46.986
430 HA3 GLY 58 HA1 GLY 58 12.958 10.751 46.143
431 H HIS 59 HN HIS 59 13.365 7.868 48.125
432 HA HIS 59 HA HIS 59 11.213 8.841 49.879
433 HB2 HIS 59 HB2 HIS 59 11.959 6.260 48.793
434 HB3 HIS 59 HB1 HIS 59 11.816 6.190 50.549
435 HD2 HIS 59 HD2 HIS 59 9.527 7.198 47.467
436 HE1 HIS 59 HE1 HIS 59 7.066 6.465 50.817
437 HE2 HIS 59 HE2 HIS 59 7.073 6.998 48.335
438 H HIS 60 HN HIS 60 14.549 7.736 49.895
439 HA HIS 60 HA HIS 60 15.011 7.316 52.586
440 HB2 HIS 60 HB2 HIS 60 16.638 7.133 50.596
441 HB3 HIS 60 HB1 HIS 60 16.959 8.845 50.872
442 HD2 HIS 60 HD2 HIS 60 19.013 9.182 52.672
443 HE1 HIS 60 HE1 HIS 60 18.551 5.576 54.818
444 HE2 HIS 60 HE2 HIS 60 19.938 7.692 54.607
445 H HIS 61 HN HIS 61 13.708 8.723 53.821
446 HA HIS 61 HA HIS 61 14.944 11.337 54.285
447 HB2 HIS 61 HB2 HIS 61 12.102 10.896 53.414
448 HB3 HIS 61 HB1 HIS 61 12.518 12.265 54.446
449 HD2 HIS 61 HD2 HIS 61 13.003 11.109 50.744
450 HE1 HIS 61 HE1 HIS 61 14.834 14.891 51.158
451 HE2 HIS 61 HE2 HIS 61 14.134 13.104 49.495
452 H HIS 62 HN HIS 62 15.304 11.515 56.393
453 HA HIS 62 HA HIS 62 14.602 9.730 58.356
454 HB2 HIS 62 HB2 HIS 62 15.500 12.547 58.325
455 HB3 HIS 62 HB1 HIS 62 14.721 12.013 59.814
456 HD2 HIS 62 HD2 HIS 62 17.697 10.652 57.528
457 HE1 HIS 62 HE1 HIS 62 18.405 9.562 61.545
458 HE2 HIS 62 HE2 HIS 62 19.346 9.492 59.187
459 H HIS 63 HN HIS 63 12.814 9.247 59.475
460 HA HIS 63 HA HIS 63 10.281 10.195 58.765
461 HB2 HIS 63 HB2 HIS 63 9.598 9.168 61.020
462 HB3 HIS 63 HB1 HIS 63 10.362 8.097 59.846
463 HD2 HIS 63 HD2 HIS 63 13.248 7.698 60.396
464 HE1 HIS 63 HE1 HIS 63 12.831 8.684 64.479
465 HE2 HIS 63 HE2 HIS 63 14.375 7.649 62.750
466 H HIS 64 HN HIS 64 9.149 11.956 59.295
467 HA HIS 64 HA HIS 64 10.254 14.131 60.665
468 HB2 HIS 64 HB2 HIS 64 8.478 14.632 59.208
469 HB3 HIS 64 HB1 HIS 64 7.433 13.399 59.913
470 HD2 HIS 64 HD2 HIS 64 8.934 16.909 61.050
471 HE1 HIS 64 HE1 HIS 64 5.404 16.138 63.234
472 HE2 HIS 64 HE2 HIS 64 7.234 17.843 62.797
Start of MODEL 27
1 H1 MET 1 HT1 MET 1 54.784 42.968 19.315
2 H2 MET 1 HT2 MET 1 55.399 44.024 18.134
3 H3 MET 1 HT3 MET 1 54.636 42.578 17.671
4 HA MET 1 HA MET 1 52.983 44.256 19.318
5 HB2 MET 1 HB2 MET 1 52.522 45.807 17.349
6 HB3 MET 1 HB1 MET 1 54.048 46.081 18.189
7 HG2 MET 1 HG2 MET 1 55.265 45.534 16.365
8 HG3 MET 1 HG1 MET 1 54.293 44.095 16.056
9 HE1 MET 1 HE1 MET 1 53.534 45.219 12.653
10 HE2 MET 1 HE2 MET 1 53.189 43.911 13.781
11 HE3 MET 1 HE3 MET 1 54.828 44.540 13.649
12 H GLU 2 HN GLU 2 50.795 44.227 18.399
13 HA GLU 2 HA GLU 2 50.294 42.398 16.190
14 HB2 GLU 2 HB2 GLU 2 48.760 40.991 17.596
15 HB3 GLU 2 HB1 GLU 2 50.470 40.803 17.991
16 HG2 GLU 2 HG2 GLU 2 50.115 41.509 20.096
17 HG3 GLU 2 HG1 GLU 2 49.349 42.984 19.512
18 H GLU 3 HN GLU 3 49.443 44.393 15.332
19 HA GLU 3 HA GLU 3 47.060 45.486 16.628
20 HB2 GLU 3 HB2 GLU 3 49.030 46.739 15.300
21 HB3 GLU 3 HB1 GLU 3 47.929 46.449 13.954
22 HG2 GLU 3 HG2 GLU 3 47.249 47.842 16.559
23 HG3 GLU 3 HG1 GLU 3 47.412 48.606 14.980
24 H GLY 4 HN GLY 4 46.781 42.828 15.785
25 HA2 GLY 4 HA2 GLY 4 44.749 41.883 14.912
26 HA3 GLY 4 HA1 GLY 4 44.724 43.155 13.695
27 H GLY 5 HN GLY 5 47.418 41.068 14.691
28 HA2 GLY 5 HA2 GLY 5 48.527 40.611 12.226
29 HA3 GLY 5 HA1 GLY 5 48.594 39.444 13.543
30 H ASP 6 HN ASP 6 46.215 38.405 13.833
31 HA ASP 6 HA ASP 6 44.930 36.695 12.959
32 HB2 ASP 6 HB2 ASP 6 43.779 38.913 12.322
33 HB3 ASP 6 HB1 ASP 6 44.387 38.606 10.696
34 H PHE 7 HN PHE 7 47.320 35.886 12.427
35 HA PHE 7 HA PHE 7 48.776 34.877 10.935
36 HB2 PHE 7 HB2 PHE 7 46.295 33.651 10.940
37 HB3 PHE 7 HB1 PHE 7 46.636 33.862 9.222
38 HD1 PHE 7 HD2 PHE 7 48.159 32.635 12.412
39 HD2 PHE 7 HD1 PHE 7 48.149 32.432 8.121
40 HE1 PHE 7 HE2 PHE 7 49.763 30.745 12.497
41 HE2 PHE 7 HE1 PHE 7 49.753 30.543 8.207
42 HZ PHE 7 HZ PHE 7 50.560 29.699 10.394
43 H ASP 8 HN ASP 8 48.433 34.223 8.225
44 HA ASP 8 HA ASP 8 48.605 36.905 6.999
45 HB2 ASP 8 HB2 ASP 8 49.773 34.317 5.960
46 HB3 ASP 8 HB1 ASP 8 50.101 35.948 5.376
47 H ASN 9 HN ASN 9 46.101 35.601 7.417
48 HA ASN 9 HA ASN 9 44.186 34.963 6.310
49 HB2 ASN 9 HB2 ASN 9 44.960 37.269 5.283
50 HB3 ASN 9 HB1 ASN 9 45.223 36.290 3.841
51 HD21 ASN 9 HD21 ASN 9 43.419 36.609 2.519
52 HD22 ASN 9 HD22 ASN 9 41.809 36.541 3.052
53 H TYR 10 HN TYR 10 46.186 33.003 6.283
54 HA TYR 10 HA TYR 10 45.319 31.423 4.053
55 HB2 TYR 10 HB2 TYR 10 47.970 32.740 4.022
56 HB3 TYR 10 HB1 TYR 10 47.951 31.031 3.589
57 HD1 TYR 10 HD1 TYR 10 46.341 30.244 1.777
58 HD2 TYR 10 HD2 TYR 10 47.183 34.392 2.513
59 HE1 TYR 10 HE1 TYR 10 45.460 30.820 -0.467
60 HE2 TYR 10 HE2 TYR 10 46.302 34.968 0.267
61 HH TYR 10 HH TYR 10 44.552 33.797 -1.375
62 H TYR 11 HN TYR 11 45.828 31.621 7.130
63 HA TYR 11 HA TYR 11 47.589 29.576 7.893
64 HB2 TYR 11 HB2 TYR 11 46.835 29.998 9.985
65 HB3 TYR 11 HB1 TYR 11 45.979 31.340 9.224
66 HD1 TYR 11 HD1 TYR 11 43.589 31.136 8.623
67 HD2 TYR 11 HD2 TYR 11 45.667 28.001 10.697
68 HE1 TYR 11 HE1 TYR 11 41.419 30.099 9.230
69 HE2 TYR 11 HE2 TYR 11 43.498 26.964 11.305
70 HH TYR 11 HH TYR 11 41.291 27.023 11.020
71 H GLY 12 HN GLY 12 47.134 27.414 8.612
72 HA2 GLY 12 HA2 GLY 12 44.699 26.191 7.486
73 HA3 GLY 12 HA1 GLY 12 46.276 25.535 7.055
74 H ALA 13 HN ALA 13 46.524 23.663 8.107
75 HA ALA 13 HA ALA 13 46.764 23.566 10.933
76 HB1 ALA 13 HB1 ALA 13 44.873 22.047 11.414
77 HB2 ALA 13 HB2 ALA 13 44.288 22.271 9.765
78 HB3 ALA 13 HB3 ALA 13 44.318 23.635 10.882
79 H ASP 14 HN ASP 14 48.574 22.845 9.139
80 HA ASP 14 HA ASP 14 48.485 20.216 8.139
81 HB2 ASP 14 HB2 ASP 14 50.969 21.663 9.066
82 HB3 ASP 14 HB1 ASP 14 50.850 20.415 7.827
83 H ASN 15 HN ASN 15 47.426 19.172 10.014
84 HA ASN 15 HA ASN 15 49.432 17.879 11.680
85 HB2 ASN 15 HB2 ASN 15 47.204 19.567 12.822
86 HB3 ASN 15 HB1 ASN 15 48.023 18.313 13.751
87 HD21 ASN 15 HD21 ASN 15 50.373 18.613 14.160
88 HD22 ASN 15 HD22 ASN 15 51.054 20.166 14.078
89 H GLN 16 HN GLN 16 47.696 17.037 9.535
90 HA GLN 16 HA GLN 16 45.699 15.367 10.903
91 HB2 GLN 16 HB2 GLN 16 44.832 14.912 8.652
92 HB3 GLN 16 HB1 GLN 16 44.941 16.648 8.939
93 HG2 GLN 16 HG2 GLN 16 47.435 16.071 7.922
94 HG3 GLN 16 HG1 GLN 16 46.396 14.976 7.009
95 HE21 GLN 16 HE21 GLN 16 47.284 18.328 7.462
96 HE22 GLN 16 HE22 GLN 16 46.250 18.963 6.275
97 H SER 17 HN SER 17 47.827 14.302 11.751
98 HA SER 17 HA SER 17 49.437 12.694 10.133
99 HB2 SER 17 HB2 SER 17 49.215 13.175 12.844
100 HB3 SER 17 HB1 SER 17 48.779 11.474 12.709
101 HG SER 17 HG SER 17 50.878 11.243 12.635
102 H GLU 18 HN GLU 18 49.156 10.798 9.115
103 HA GLU 18 HA GLU 18 46.509 9.528 9.307
104 HB2 GLU 18 HB2 GLU 18 47.247 10.193 7.063
105 HB3 GLU 18 HB1 GLU 18 48.698 9.206 7.240
106 HG2 GLU 18 HG2 GLU 18 47.583 7.307 6.744
107 HG3 GLU 18 HG1 GLU 18 46.266 7.708 7.843
108 H CYS 19 HN CYS 19 46.690 8.230 11.110
109 HA CYS 19 HA CYS 19 48.900 6.285 11.184
110 HB2 CYS 19 HB2 CYS 19 47.889 5.815 13.506
111 HB3 CYS 19 HB1 CYS 19 48.720 7.354 13.276
112 HG CYS 19 HG CYS 19 46.597 8.475 13.853
113 H GLU 20 HN GLU 20 47.246 5.680 9.180
114 HA GLU 20 HA GLU 20 46.303 3.092 9.832
115 HB2 GLU 20 HB2 GLU 20 43.874 3.485 9.392
116 HB3 GLU 20 HB1 GLU 20 44.440 4.224 10.889
117 HG2 GLU 20 HG2 GLU 20 43.913 6.286 10.159
118 HG3 GLU 20 HG1 GLU 20 44.793 6.037 8.653
119 H TYR 21 HN TYR 21 44.046 4.120 7.711
120 HA TYR 21 HA TYR 21 43.813 3.610 5.462
121 HB2 TYR 21 HB2 TYR 21 44.652 5.997 5.600
122 HB3 TYR 21 HB1 TYR 21 46.258 5.367 5.233
123 HD1 TYR 21 HD1 TYR 21 42.729 5.316 3.985
124 HD2 TYR 21 HD2 TYR 21 46.899 5.014 3.002
125 HE1 TYR 21 HE1 TYR 21 42.157 5.265 1.572
126 HE2 TYR 21 HE2 TYR 21 46.327 4.962 0.589
127 HH TYR 21 HH TYR 21 43.505 4.223 -0.613
128 H THR 22 HN THR 22 45.712 1.869 7.044
129 HA THR 22 HA THR 22 46.687 0.341 4.823
130 HB THR 22 HB THR 22 48.747 1.625 6.633
131 HG1 THR 22 HG1 THR 22 49.245 2.218 4.187
132 HG21 THR 22 HG21 THR 22 50.335 0.534 5.038
133 HG22 THR 22 HG22 THR 22 48.964 -0.287 4.292
134 HG23 THR 22 HG23 THR 22 49.387 -0.625 5.971
135 H ASP 23 HN ASP 23 46.652 0.972 8.282
136 HA ASP 23 HA ASP 23 46.897 -1.932 8.791
137 HB2 ASP 23 HB2 ASP 23 47.682 0.477 10.414
138 HB3 ASP 23 HB1 ASP 23 47.416 -1.089 11.179
139 H TRP 24 HN TRP 24 44.506 -0.177 8.100
140 HA TRP 24 HA TRP 24 42.792 0.361 10.139
141 HB2 TRP 24 HB2 TRP 24 41.039 -0.805 8.449
142 HB3 TRP 24 HB1 TRP 24 41.745 0.782 8.162
143 HD1 TRP 24 HD1 TRP 24 43.640 -2.537 7.737
144 HE1 TRP 24 HE1 TRP 24 44.350 -2.756 5.270
145 HE3 TRP 24 HE3 TRP 24 41.284 1.548 5.775
146 HZ2 TRP 24 HZ2 TRP 24 43.971 -1.381 2.791
147 HZ3 TRP 24 HZ3 TRP 24 41.477 2.069 3.359
148 HH2 TRP 24 HH2 TRP 24 42.815 0.611 1.866
149 H LYS 25 HN LYS 25 41.857 -2.585 8.515
150 HA LYS 25 HA LYS 25 41.178 -3.820 11.033
151 HB2 LYS 25 HB2 LYS 25 40.446 -5.718 9.554
152 HB3 LYS 25 HB1 LYS 25 39.688 -4.171 9.176
153 HG2 LYS 25 HG2 LYS 25 40.507 -4.254 7.084
154 HG3 LYS 25 HG1 LYS 25 42.150 -4.369 7.715
155 HD2 LYS 25 HD2 LYS 25 41.836 -6.820 8.012
156 HD3 LYS 25 HD1 LYS 25 40.235 -6.679 7.285
157 HE2 LYS 25 HE2 LYS 25 41.134 -6.765 5.226
158 HE3 LYS 25 HE1 LYS 25 42.140 -5.361 5.587
159 HZ1 LYS 25 HZ1 LYS 25 42.857 -8.063 6.547
160 HZ2 LYS 25 HZ2 LYS 25 43.854 -6.698 6.378
161 HZ3 LYS 25 HZ3 LYS 25 43.306 -7.529 5.000
162 H SER 26 HN SER 26 44.011 -3.565 9.307
163 HA SER 26 HA SER 26 45.033 -6.232 9.679
164 HB2 SER 26 HB2 SER 26 46.630 -5.498 8.287
165 HB3 SER 26 HB1 SER 26 45.810 -3.940 8.245
166 HG SER 26 HG SER 26 47.999 -4.796 9.772
167 H SER 27 HN SER 27 45.364 -3.124 11.351
168 HA SER 27 HA SER 27 45.938 -4.450 13.843
169 HB2 SER 27 HB2 SER 27 48.114 -3.005 12.346
170 HB3 SER 27 HB1 SER 27 48.135 -3.127 14.103
171 HG SER 27 HG SER 27 49.109 -4.868 12.574
172 H GLY 28 HN GLY 28 44.137 -2.417 12.521
173 HA2 GLY 28 HA2 GLY 28 44.693 -0.039 14.164
174 HA3 GLY 28 HA1 GLY 28 43.544 -0.128 12.832
175 H ALA 29 HN ALA 29 42.754 -2.856 14.100
176 HA ALA 29 HA ALA 29 40.508 -1.827 15.564
177 HB1 ALA 29 HB1 ALA 29 39.745 -3.753 14.680
178 HB2 ALA 29 HB2 ALA 29 40.554 -4.548 16.030
179 HB3 ALA 29 HB3 ALA 29 41.373 -4.400 14.474
180 H LEU 30 HN LEU 30 43.659 -2.247 16.432
181 HA LEU 30 HA LEU 30 43.036 -3.060 19.197
182 HB2 LEU 30 HB2 LEU 30 45.774 -2.700 17.972
183 HB3 LEU 30 HB1 LEU 30 45.354 -3.560 19.455
184 HG LEU 30 HG LEU 30 44.502 -4.350 16.652
185 HD11 LEU 30 HD11 LEU 30 46.648 -5.291 18.540
186 HD12 LEU 30 HD12 LEU 30 46.754 -4.980 16.806
187 HD13 LEU 30 HD13 LEU 30 45.924 -6.420 17.395
188 HD21 LEU 30 HD21 LEU 30 43.882 -6.488 18.054
189 HD22 LEU 30 HD22 LEU 30 42.769 -5.119 18.024
190 HD23 LEU 30 HD23 LEU 30 43.838 -5.358 19.407
191 H ILE 31 HN ILE 31 42.011 -0.891 19.413
192 HA ILE 31 HA ILE 31 43.397 0.818 21.033
193 HB ILE 31 HB ILE 31 44.152 1.281 18.271
194 HG12 ILE 31 HG12 ILE 31 45.606 1.203 20.343
195 HG13 ILE 31 HG11 ILE 31 45.886 2.596 19.304
196 HG21 ILE 31 HG21 ILE 31 43.889 3.754 18.278
197 HG22 ILE 31 HG22 ILE 31 42.850 3.635 19.692
198 HG23 ILE 31 HG23 ILE 31 42.345 2.920 18.161
199 HD11 ILE 31 HD11 ILE 31 45.234 4.046 20.912
200 HD12 ILE 31 HD12 ILE 31 45.379 2.688 22.026
201 HD13 ILE 31 HD13 ILE 31 43.814 3.086 21.321
202 HA PRO 32 HA PRO 32 39.371 2.926 19.306
203 HB2 PRO 32 HB2 PRO 32 38.070 0.691 17.886
204 HB3 PRO 32 HB1 PRO 32 38.303 2.370 17.368
205 HG2 PRO 32 HG2 PRO 32 39.653 0.334 16.266
206 HG3 PRO 32 HG1 PRO 32 40.361 1.948 16.462
207 HD2 PRO 32 HD2 PRO 32 40.811 -0.521 18.109
208 HD3 PRO 32 HD1 PRO 32 41.982 0.712 17.591
209 H ALA 33 HN ALA 33 40.000 0.039 20.836
210 HA ALA 33 HA ALA 33 37.302 -0.354 21.901
211 HB1 ALA 33 HB1 ALA 33 38.088 -2.472 21.766
212 HB2 ALA 33 HB2 ALA 33 38.922 -2.089 23.273
213 HB3 ALA 33 HB3 ALA 33 39.771 -1.943 21.734
214 H ILE 34 HN ILE 34 40.365 1.040 22.760
215 HA ILE 34 HA ILE 34 39.589 1.315 25.574
216 HB ILE 34 HB ILE 34 42.130 2.013 24.087
217 HG12 ILE 34 HG12 ILE 34 41.739 0.019 26.323
218 HG13 ILE 34 HG11 ILE 34 41.470 -0.431 24.638
219 HG21 ILE 34 HG21 ILE 34 42.877 2.210 26.623
220 HG22 ILE 34 HG22 ILE 34 41.176 2.604 26.866
221 HG23 ILE 34 HG23 ILE 34 42.165 3.590 25.790
222 HD11 ILE 34 HD11 ILE 34 43.887 -0.623 25.844
223 HD12 ILE 34 HD12 ILE 34 43.997 1.020 25.210
224 HD13 ILE 34 HD13 ILE 34 43.697 -0.329 24.114
225 H TYR 35 HN TYR 35 39.186 2.957 22.693
226 HA TYR 35 HA TYR 35 39.385 5.644 23.797
227 HB2 TYR 35 HB2 TYR 35 39.389 4.490 21.187
228 HB3 TYR 35 HB1 TYR 35 38.045 5.627 21.284
229 HD1 TYR 35 HD2 TYR 35 41.707 5.266 21.878
230 HD2 TYR 35 HD1 TYR 35 38.418 7.972 21.319
231 HE1 TYR 35 HE2 TYR 35 43.297 7.162 21.701
232 HE2 TYR 35 HE1 TYR 35 40.008 9.867 21.142
233 HH TYR 35 HH TYR 35 43.413 9.385 20.833
234 H MET 36 HN MET 36 36.816 3.588 22.413
235 HA MET 36 HA MET 36 34.719 5.375 23.211
236 HB2 MET 36 HB2 MET 36 34.617 2.482 22.326
237 HB3 MET 36 HB1 MET 36 33.219 3.543 22.503
238 HG2 MET 36 HG2 MET 36 35.090 4.968 20.934
239 HG3 MET 36 HG1 MET 36 35.052 3.329 20.285
240 HE1 MET 36 HE1 MET 36 31.880 6.562 20.195
241 HE2 MET 36 HE2 MET 36 33.630 6.694 20.038
242 HE3 MET 36 HE3 MET 36 32.922 6.266 21.593
243 H LEU 37 HN LEU 37 36.691 3.483 25.018
244 HA LEU 37 HA LEU 37 34.634 2.563 26.892
245 HB2 LEU 37 HB2 LEU 37 37.432 1.875 26.316
246 HB3 LEU 37 HB1 LEU 37 37.064 1.959 28.036
247 HG LEU 37 HG LEU 37 36.693 -0.316 27.020
248 HD11 LEU 37 HD11 LEU 37 33.967 0.165 27.739
249 HD12 LEU 37 HD12 LEU 37 34.987 1.187 28.751
250 HD13 LEU 37 HD13 LEU 37 35.242 -0.558 28.719
251 HD21 LEU 37 HD21 LEU 37 34.142 0.540 25.808
252 HD22 LEU 37 HD22 LEU 37 35.324 -0.635 25.231
253 HD23 LEU 37 HD23 LEU 37 35.579 1.087 24.944
254 H VAL 38 HN VAL 38 35.944 5.416 26.287
255 HA VAL 38 HA VAL 38 35.929 6.208 29.127
256 HB VAL 38 HB VAL 38 37.883 7.285 27.085
257 HG11 VAL 38 HG11 VAL 38 38.952 8.233 29.125
258 HG12 VAL 38 HG12 VAL 38 37.620 7.600 30.092
259 HG13 VAL 38 HG13 VAL 38 37.317 8.848 28.884
260 HG21 VAL 38 HG21 VAL 38 39.544 6.019 28.590
261 HG22 VAL 38 HG22 VAL 38 38.576 5.042 27.486
262 HG23 VAL 38 HG23 VAL 38 38.143 5.132 29.194
263 H PHE 39 HN PHE 39 35.183 6.846 25.810
264 HA PHE 39 HA PHE 39 34.474 9.601 26.099
265 HB2 PHE 39 HB2 PHE 39 34.679 7.750 23.985
266 HB3 PHE 39 HB1 PHE 39 32.997 8.282 24.003
267 HD1 PHE 39 HD1 PHE 39 36.514 9.540 24.049
268 HD2 PHE 39 HD2 PHE 39 32.395 10.424 23.207
269 HE1 PHE 39 HE1 PHE 39 37.184 11.701 23.034
270 HE2 PHE 39 HE2 PHE 39 33.066 12.584 22.191
271 HZ PHE 39 HZ PHE 39 35.461 13.223 22.105
272 H LEU 40 HN LEU 40 32.983 6.663 27.001
273 HA LEU 40 HA LEU 40 30.379 8.024 27.360
274 HB2 LEU 40 HB2 LEU 40 29.952 5.296 27.710
275 HB3 LEU 40 HB1 LEU 40 29.533 6.240 26.283
276 HG LEU 40 HG LEU 40 32.268 5.003 26.694
277 HD11 LEU 40 HD11 LEU 40 31.141 3.495 24.754
278 HD12 LEU 40 HD12 LEU 40 29.712 3.837 25.730
279 HD13 LEU 40 HD13 LEU 40 31.109 3.044 26.458
280 HD21 LEU 40 HD21 LEU 40 31.324 5.380 23.972
281 HD22 LEU 40 HD22 LEU 40 32.782 6.012 24.737
282 HD23 LEU 40 HD23 LEU 40 31.264 6.899 24.866
283 H LEU 41 HN LEU 41 32.852 6.008 28.846
284 HA LEU 41 HA LEU 41 31.447 5.892 31.386
285 HB2 LEU 41 HB2 LEU 41 34.082 4.859 30.363
286 HB3 LEU 41 HB1 LEU 41 33.728 4.851 32.089
287 HG LEU 41 HG LEU 41 33.125 2.709 30.886
288 HD11 LEU 41 HD11 LEU 41 31.702 4.101 32.865
289 HD12 LEU 41 HD12 LEU 41 31.558 2.388 32.477
290 HD13 LEU 41 HD13 LEU 41 30.471 3.556 31.729
291 HD21 LEU 41 HD21 LEU 41 31.309 2.670 29.344
292 HD22 LEU 41 HD22 LEU 41 32.331 4.009 28.824
293 HD23 LEU 41 HD23 LEU 41 30.849 4.329 29.726
294 H GLY 42 HN GLY 42 32.219 8.508 30.233
295 HA2 GLY 42 HA2 GLY 42 33.749 9.502 32.554
296 HA3 GLY 42 HA1 GLY 42 34.175 10.023 30.925
297 H THR 43 HN THR 43 31.431 10.105 29.975
298 HA THR 43 HA THR 43 30.756 12.756 30.904
299 HB THR 43 HB THR 43 30.392 12.495 28.609
300 HG1 THR 43 HG1 THR 43 27.850 11.907 28.813
301 HG21 THR 43 HG21 THR 43 29.399 9.777 29.400
302 HG22 THR 43 HG22 THR 43 30.595 10.215 28.180
303 HG23 THR 43 HG23 THR 43 28.878 10.476 27.866
304 H THR 44 HN THR 44 28.074 10.764 30.149
305 HA THR 44 HA THR 44 26.483 11.424 32.268
306 HB THR 44 HB THR 44 25.228 9.341 31.833
307 HG1 THR 44 HG1 THR 44 26.146 7.717 30.845
308 HG21 THR 44 HG21 THR 44 25.216 11.381 30.277
309 HG22 THR 44 HG22 THR 44 24.638 9.861 29.592
310 HG23 THR 44 HG23 THR 44 26.262 10.437 29.216
311 H GLY 45 HN GLY 45 27.491 8.056 32.239
312 HA2 GLY 45 HA2 GLY 45 29.127 8.036 34.520
313 HA3 GLY 45 HA1 GLY 45 27.462 7.805 35.048
314 H ASN 46 HN ASN 46 26.234 6.105 33.711
315 HA ASN 46 HA ASN 46 25.993 3.862 33.262
316 HB2 ASN 46 HB2 ASN 46 28.245 4.827 31.612
317 HB3 ASN 46 HB1 ASN 46 28.156 3.077 31.815
318 HD21 ASN 46 HD21 ASN 46 26.581 5.862 30.360
319 HD22 ASN 46 HD22 ASN 46 25.387 4.986 29.530
320 H GLY 47 HN GLY 47 26.128 2.718 35.117
321 HA2 GLY 47 HA2 GLY 47 27.205 0.899 36.237
322 HA3 GLY 47 HA1 GLY 47 28.763 1.603 35.815
323 H LEU 48 HN LEU 48 28.201 4.278 36.598
324 HA LEU 48 HA LEU 48 28.464 3.971 39.492
325 HB2 LEU 48 HB2 LEU 48 29.642 5.657 37.572
326 HB3 LEU 48 HB1 LEU 48 28.621 6.700 38.563
327 HG LEU 48 HG LEU 48 30.679 4.740 39.627
328 HD11 LEU 48 HD11 LEU 48 31.616 7.077 40.433
329 HD12 LEU 48 HD12 LEU 48 30.702 7.685 39.053
330 HD13 LEU 48 HD13 LEU 48 31.976 6.491 38.808
331 HD21 LEU 48 HD21 LEU 48 29.944 6.643 41.566
332 HD22 LEU 48 HD22 LEU 48 29.514 4.933 41.550
333 HD23 LEU 48 HD23 LEU 48 28.428 6.122 40.831
334 H VAL 49 HN VAL 49 26.497 5.797 37.156
335 HA VAL 49 HA VAL 49 24.888 7.258 38.835
336 HB VAL 49 HB VAL 49 24.174 5.811 36.279
337 HG11 VAL 49 HG11 VAL 49 22.053 6.169 37.166
338 HG12 VAL 49 HG12 VAL 49 22.332 7.706 36.349
339 HG13 VAL 49 HG13 VAL 49 22.567 7.579 38.093
340 HG21 VAL 49 HG21 VAL 49 24.286 8.749 36.394
341 HG22 VAL 49 HG22 VAL 49 25.002 7.644 35.221
342 HG23 VAL 49 HG23 VAL 49 25.828 7.970 36.744
343 H LEU 50 HN LEU 50 24.932 3.816 38.366
344 HA LEU 50 HA LEU 50 22.351 3.337 39.568
345 HB2 LEU 50 HB2 LEU 50 24.522 1.273 39.329
346 HB3 LEU 50 HB1 LEU 50 22.775 1.065 39.207
347 HG LEU 50 HG LEU 50 24.582 2.440 37.198
348 HD11 LEU 50 HD11 LEU 50 22.839 0.372 36.187
349 HD12 LEU 50 HD12 LEU 50 23.789 -0.255 37.533
350 HD13 LEU 50 HD13 LEU 50 24.601 0.454 36.138
351 HD21 LEU 50 HD21 LEU 50 21.584 2.317 37.497
352 HD22 LEU 50 HD22 LEU 50 22.319 2.476 35.902
353 HD23 LEU 50 HD23 LEU 50 22.600 3.711 37.129
354 H TRP 51 HN TRP 51 25.744 3.038 40.593
355 HA TRP 51 HA TRP 51 25.545 1.906 43.057
356 HB2 TRP 51 HB2 TRP 51 27.702 2.508 43.038
357 HB3 TRP 51 HB1 TRP 51 27.394 3.675 41.753
358 HD1 TRP 51 HD1 TRP 51 26.539 6.148 42.553
359 HE1 TRP 51 HE1 TRP 51 27.117 7.476 44.685
360 HE3 TRP 51 HE3 TRP 51 28.308 2.367 45.494
361 HZ2 TRP 51 HZ2 TRP 51 28.190 6.997 47.293
362 HZ3 TRP 51 HZ3 TRP 51 29.101 2.829 47.795
363 HH2 TRP 51 HH2 TRP 51 29.045 5.138 48.698
364 H THR 52 HN THR 52 24.645 5.206 42.184
365 HA THR 52 HA THR 52 24.149 6.136 44.820
366 HB THR 52 HB THR 52 23.182 7.031 42.105
367 HG1 THR 52 HG1 THR 52 25.259 7.583 42.446
368 HG21 THR 52 HG21 THR 52 22.452 8.002 44.857
369 HG22 THR 52 HG22 THR 52 21.409 7.759 43.455
370 HG23 THR 52 HG23 THR 52 22.516 9.131 43.503
371 H VAL 53 HN VAL 53 21.895 5.040 42.272
372 HA VAL 53 HA VAL 53 19.538 5.151 43.736
373 HB VAL 53 HB VAL 53 20.269 3.055 41.678
374 HG11 VAL 53 HG11 VAL 53 17.644 4.166 42.703
375 HG12 VAL 53 HG12 VAL 53 18.207 2.498 42.796
376 HG13 VAL 53 HG13 VAL 53 17.782 3.200 41.234
377 HG21 VAL 53 HG21 VAL 53 20.104 5.900 41.457
378 HG22 VAL 53 HG22 VAL 53 18.695 5.215 40.648
379 HG23 VAL 53 HG23 VAL 53 20.316 4.721 40.162
380 H PHE 54 HN PHE 54 22.223 3.059 44.124
381 HA PHE 54 HA PHE 54 20.656 1.107 45.665
382 HB2 PHE 54 HB2 PHE 54 22.849 0.842 43.952
383 HB3 PHE 54 HB1 PHE 54 23.513 0.612 45.570
384 HD1 PHE 54 HD2 PHE 54 22.227 -0.986 47.160
385 HD2 PHE 54 HD1 PHE 54 21.673 -0.901 42.901
386 HE1 PHE 54 HE2 PHE 54 21.242 -3.261 47.242
387 HE2 PHE 54 HE1 PHE 54 20.690 -3.176 42.983
388 HZ PHE 54 HZ PHE 54 20.474 -4.356 45.153
389 H ARG 55 HN ARG 55 21.341 3.928 46.494
390 HA ARG 55 HA ARG 55 22.563 3.224 49.090
391 HB2 ARG 55 HB2 ARG 55 23.191 5.571 47.304
392 HB3 ARG 55 HB1 ARG 55 23.535 5.594 49.033
393 HG2 ARG 55 HG2 ARG 55 24.432 3.142 47.674
394 HG3 ARG 55 HG1 ARG 55 25.242 4.608 47.116
395 HD2 ARG 55 HD2 ARG 55 26.433 3.589 49.031
396 HD3 ARG 55 HD1 ARG 55 25.823 5.193 49.426
397 HE ARG 55 HE ARG 55 24.031 3.026 50.135
398 HH11 ARG 55 HH21 ARG 55 26.680 5.047 51.068
399 HH12 ARG 55 HH22 ARG 55 26.410 4.852 52.767
400 HH21 ARG 55 HH11 ARG 55 23.669 2.767 52.363
401 HH22 ARG 55 HH12 ARG 55 24.705 3.561 53.501
402 H LYS 56 HN LYS 56 20.335 5.203 47.243
403 HA LYS 56 HA LYS 56 19.339 6.586 49.594
404 HB2 LYS 56 HB2 LYS 56 17.872 6.579 46.989
405 HB3 LYS 56 HB1 LYS 56 18.099 7.891 48.140
406 HG2 LYS 56 HG2 LYS 56 20.232 6.746 46.306
407 HG3 LYS 56 HG1 LYS 56 19.420 8.293 46.104
408 HD2 LYS 56 HD2 LYS 56 21.166 7.523 48.466
409 HD3 LYS 56 HD1 LYS 56 21.637 8.590 47.146
410 HE2 LYS 56 HE2 LYS 56 20.921 10.186 48.641
411 HE3 LYS 56 HE1 LYS 56 19.377 9.838 47.863
412 HZ1 LYS 56 HZ1 LYS 56 20.135 8.134 50.099
413 HZ2 LYS 56 HZ2 LYS 56 18.609 8.737 49.659
414 HZ3 LYS 56 HZ3 LYS 56 19.716 9.734 50.478
415 H LYS 57 HN LYS 57 18.530 3.799 47.656
416 HA LYS 57 HA LYS 57 15.933 3.491 48.968
417 HB2 LYS 57 HB2 LYS 57 17.337 2.036 46.734
418 HB3 LYS 57 HB1 LYS 57 15.878 1.391 47.487
419 HG2 LYS 57 HG2 LYS 57 14.533 3.066 46.652
420 HG3 LYS 57 HG1 LYS 57 15.837 4.253 46.643
421 HD2 LYS 57 HD2 LYS 57 15.219 3.623 44.343
422 HD3 LYS 57 HD1 LYS 57 16.866 3.108 44.710
423 HE2 LYS 57 HE2 LYS 57 15.508 1.343 43.553
424 HE3 LYS 57 HE1 LYS 57 16.118 0.834 45.128
425 HZ1 LYS 57 HZ1 LYS 57 13.718 0.340 44.687
426 HZ2 LYS 57 HZ2 LYS 57 13.426 2.012 44.742
427 HZ3 LYS 57 HZ3 LYS 57 14.023 1.205 46.113
428 H GLY 58 HN GLY 58 18.126 3.377 50.713
429 HA2 GLY 58 HA2 GLY 58 18.827 0.618 51.222
430 HA3 GLY 58 HA1 GLY 58 19.245 2.008 52.220
431 H HIS 59 HN HIS 59 16.530 2.978 52.476
432 HA HIS 59 HA HIS 59 15.156 0.812 53.906
433 HB2 HIS 59 HB2 HIS 59 16.275 3.310 55.125
434 HB3 HIS 59 HB1 HIS 59 14.784 2.624 55.769
435 HD2 HIS 59 HD2 HIS 59 18.606 1.790 55.649
436 HE1 HIS 59 HE1 HIS 59 16.693 -1.244 57.875
437 HE2 HIS 59 HE2 HIS 59 18.945 -0.304 57.172
438 H HIS 60 HN HIS 60 14.944 4.353 53.472
439 HA HIS 60 HA HIS 60 13.097 5.681 53.043
440 HB2 HIS 60 HB2 HIS 60 13.844 4.701 50.803
441 HB3 HIS 60 HB1 HIS 60 12.486 3.587 50.958
442 HD2 HIS 60 HD2 HIS 60 12.693 7.558 51.400
443 HE1 HIS 60 HE1 HIS 60 9.280 6.565 49.121
444 HE2 HIS 60 HE2 HIS 60 10.599 8.481 50.143
445 H HIS 61 HN HIS 61 12.605 3.880 55.152
446 HA HIS 61 HA HIS 61 9.893 2.859 54.666
447 HB2 HIS 61 HB2 HIS 61 11.779 2.517 57.008
448 HB3 HIS 61 HB1 HIS 61 10.162 1.821 56.915
449 HD2 HIS 61 HD2 HIS 61 13.449 0.381 56.453
450 HE1 HIS 61 HE1 HIS 61 11.363 -1.147 53.116
451 HE2 HIS 61 HE2 HIS 61 13.445 -1.404 54.547
452 H HIS 62 HN HIS 62 11.350 4.335 57.554
453 HA HIS 62 HA HIS 62 8.987 5.498 58.493
454 HB2 HIS 62 HB2 HIS 62 11.414 5.194 59.558
455 HB3 HIS 62 HB1 HIS 62 11.570 6.875 59.052
456 HD2 HIS 62 HD2 HIS 62 9.561 4.753 61.664
457 HE1 HIS 62 HE1 HIS 62 8.583 8.816 62.263
458 HE2 HIS 62 HE2 HIS 62 8.328 6.469 63.199
459 H HIS 63 HN HIS 63 8.730 7.938 58.807
460 HA HIS 63 HA HIS 63 9.754 9.668 56.762
461 HB2 HIS 63 HB2 HIS 63 8.224 8.804 55.247
462 HB3 HIS 63 HB1 HIS 63 7.029 8.456 56.497
463 HD2 HIS 63 HD2 HIS 63 5.029 10.351 56.559
464 HE1 HIS 63 HE1 HIS 63 7.157 13.543 54.796
465 HE2 HIS 63 HE2 HIS 63 4.905 12.823 55.726
466 H HIS 64 HN HIS 64 9.904 11.598 57.694
467 HA HIS 64 HA HIS 64 8.954 12.257 60.213
468 HB2 HIS 64 HB2 HIS 64 10.710 13.460 58.766
469 HB3 HIS 64 HB1 HIS 64 9.347 14.326 58.058
470 HD2 HIS 64 HD2 HIS 64 7.959 14.172 61.360
471 HE1 HIS 64 HE1 HIS 64 10.867 17.194 61.844
472 HE2 HIS 64 HE2 HIS 64 8.796 16.137 62.863
Start of MODEL 28
1 H1 MET 1 HT1 MET 1 28.606 37.342 -15.303
2 H2 MET 1 HT2 MET 1 29.455 36.806 -16.674
3 H3 MET 1 HT3 MET 1 30.241 36.914 -15.172
4 HA MET 1 HA MET 1 28.392 35.266 -14.414
5 HB2 MET 1 HB2 MET 1 28.699 34.510 -17.324
6 HB3 MET 1 HB1 MET 1 27.566 33.857 -16.140
7 HG2 MET 1 HG2 MET 1 26.136 35.317 -17.194
8 HG3 MET 1 HG1 MET 1 26.833 36.439 -16.025
9 HE1 MET 1 HE1 MET 1 26.446 38.654 -19.096
10 HE2 MET 1 HE2 MET 1 25.703 37.991 -17.643
11 HE3 MET 1 HE3 MET 1 25.528 37.143 -19.178
12 H GLU 2 HN GLU 2 31.177 35.576 -16.519
13 HA GLU 2 HA GLU 2 32.885 34.084 -14.865
14 HB2 GLU 2 HB2 GLU 2 33.192 32.157 -16.609
15 HB3 GLU 2 HB1 GLU 2 31.901 32.046 -15.412
16 HG2 GLU 2 HG2 GLU 2 30.236 32.501 -16.960
17 HG3 GLU 2 HG1 GLU 2 31.320 33.408 -18.013
18 H GLU 3 HN GLU 3 34.877 34.768 -15.330
19 HA GLU 3 HA GLU 3 35.559 35.409 -18.123
20 HB2 GLU 3 HB2 GLU 3 35.779 37.229 -15.733
21 HB3 GLU 3 HB1 GLU 3 36.820 37.433 -17.141
22 HG2 GLU 3 HG2 GLU 3 33.843 37.179 -17.490
23 HG3 GLU 3 HG1 GLU 3 34.554 38.732 -17.054
24 H GLY 4 HN GLY 4 36.351 33.083 -17.104
25 HA2 GLY 4 HA2 GLY 4 38.862 32.570 -17.500
26 HA3 GLY 4 HA1 GLY 4 39.051 33.455 -15.989
27 H GLY 5 HN GLY 5 37.237 32.627 -14.315
28 HA2 GLY 5 HA2 GLY 5 36.932 30.926 -12.770
29 HA3 GLY 5 HA1 GLY 5 36.248 30.099 -14.167
30 H ASP 6 HN ASP 6 39.213 30.632 -12.325
31 HA ASP 6 HA ASP 6 40.074 27.918 -12.905
32 HB2 ASP 6 HB2 ASP 6 40.967 29.260 -14.809
33 HB3 ASP 6 HB1 ASP 6 41.851 30.251 -13.651
34 H PHE 7 HN PHE 7 39.391 28.334 -10.519
35 HA PHE 7 HA PHE 7 41.874 28.813 -9.013
36 HB2 PHE 7 HB2 PHE 7 40.289 30.839 -8.985
37 HB3 PHE 7 HB1 PHE 7 39.226 29.833 -8.002
38 HD1 PHE 7 HD2 PHE 7 42.757 31.054 -8.211
39 HD2 PHE 7 HD1 PHE 7 39.584 29.638 -5.687
40 HE1 PHE 7 HE2 PHE 7 44.126 31.561 -6.207
41 HE2 PHE 7 HE1 PHE 7 40.952 30.144 -3.683
42 HZ PHE 7 HZ PHE 7 43.223 31.106 -3.942
43 H ASP 8 HN ASP 8 41.692 26.391 -9.217
44 HA ASP 8 HA ASP 8 40.337 25.363 -6.834
45 HB2 ASP 8 HB2 ASP 8 38.876 25.066 -8.942
46 HB3 ASP 8 HB1 ASP 8 40.071 23.864 -9.431
47 H ASN 9 HN ASN 9 43.007 25.826 -7.007
48 HA ASN 9 HA ASN 9 44.082 23.100 -6.941
49 HB2 ASN 9 HB2 ASN 9 44.517 24.375 -9.205
50 HB3 ASN 9 HB1 ASN 9 45.749 25.209 -8.257
51 HD21 ASN 9 HD21 ASN 9 45.172 22.415 -10.109
52 HD22 ASN 9 HD22 ASN 9 46.498 21.498 -9.578
53 H TYR 10 HN TYR 10 43.414 24.591 -4.748
54 HA TYR 10 HA TYR 10 45.937 24.802 -3.405
55 HB2 TYR 10 HB2 TYR 10 44.514 27.234 -4.317
56 HB3 TYR 10 HB1 TYR 10 45.090 27.251 -2.650
57 HD1 TYR 10 HD1 TYR 10 47.538 26.668 -2.201
58 HD2 TYR 10 HD2 TYR 10 46.015 27.521 -6.125
59 HE1 TYR 10 HE1 TYR 10 49.844 27.100 -3.001
60 HE2 TYR 10 HE2 TYR 10 48.322 27.954 -6.926
61 HH TYR 10 HH TYR 10 51.113 27.231 -4.964
62 H TYR 11 HN TYR 11 42.954 23.783 -3.425
63 HA TYR 11 HA TYR 11 41.683 24.679 -1.099
64 HB2 TYR 11 HB2 TYR 11 41.542 22.248 -2.798
65 HB3 TYR 11 HB1 TYR 11 40.869 22.117 -1.172
66 HD1 TYR 11 HD2 TYR 11 40.720 24.058 -4.340
67 HD2 TYR 11 HD1 TYR 11 38.834 23.216 -0.574
68 HE1 TYR 11 HE2 TYR 11 38.701 25.298 -5.074
69 HE2 TYR 11 HE1 TYR 11 36.816 24.456 -1.308
70 HH TYR 11 HH TYR 11 36.285 25.356 -4.534
71 H GLY 12 HN GLY 12 43.239 24.963 0.536
72 HA2 GLY 12 HA2 GLY 12 44.697 22.625 1.510
73 HA3 GLY 12 HA1 GLY 12 44.863 24.278 2.095
74 H ALA 13 HN ALA 13 44.208 24.487 4.131
75 HA ALA 13 HA ALA 13 43.158 24.008 6.134
76 HB1 ALA 13 HB1 ALA 13 41.473 25.437 5.316
77 HB2 ALA 13 HB2 ALA 13 40.597 23.996 5.832
78 HB3 ALA 13 HB3 ALA 13 40.931 24.259 4.120
79 H ASP 14 HN ASP 14 44.302 21.792 5.781
80 HA ASP 14 HA ASP 14 42.546 19.561 5.224
81 HB2 ASP 14 HB2 ASP 14 45.354 19.650 6.352
82 HB3 ASP 14 HB1 ASP 14 44.503 18.189 5.856
83 H ASN 15 HN ASN 15 41.484 21.157 7.255
84 HA ASN 15 HA ASN 15 42.008 19.674 9.742
85 HB2 ASN 15 HB2 ASN 15 40.464 22.224 9.215
86 HB3 ASN 15 HB1 ASN 15 40.627 21.462 10.797
87 HD21 ASN 15 HD21 ASN 15 43.197 20.841 11.148
88 HD22 ASN 15 HD22 ASN 15 44.235 22.156 10.874
89 H GLN 16 HN GLN 16 40.191 19.185 7.145
90 HA GLN 16 HA GLN 16 37.567 18.844 8.233
91 HB2 GLN 16 HB2 GLN 16 37.093 17.651 6.143
92 HB3 GLN 16 HB1 GLN 16 37.966 19.149 5.817
93 HG2 GLN 16 HG2 GLN 16 40.003 17.313 6.211
94 HG3 GLN 16 HG1 GLN 16 38.785 16.376 5.345
95 HE21 GLN 16 HE21 GLN 16 39.812 19.834 5.109
96 HE22 GLN 16 HE22 GLN 16 40.092 19.779 3.436
97 H SER 17 HN SER 17 38.673 17.713 10.196
98 HA SER 17 HA SER 17 39.656 15.118 10.107
99 HB2 SER 17 HB2 SER 17 39.492 16.622 12.134
100 HB3 SER 17 HB1 SER 17 37.795 16.167 12.245
101 HG SER 17 HG SER 17 38.415 14.369 13.119
102 H GLU 18 HN GLU 18 38.804 13.320 9.302
103 HA GLU 18 HA GLU 18 35.907 13.124 8.926
104 HB2 GLU 18 HB2 GLU 18 37.379 12.559 7.036
105 HB3 GLU 18 HB1 GLU 18 38.141 11.297 8.006
106 HG2 GLU 18 HG2 GLU 18 36.463 9.855 7.588
107 HG3 GLU 18 HG1 GLU 18 35.248 11.045 8.054
108 H CYS 19 HN CYS 19 34.640 12.014 10.265
109 HA CYS 19 HA CYS 19 35.834 10.463 12.422
110 HB2 CYS 19 HB2 CYS 19 33.438 10.284 13.189
111 HB3 CYS 19 HB1 CYS 19 34.049 11.933 13.060
112 HG CYS 19 HG CYS 19 32.513 10.828 10.602
113 H GLU 20 HN GLU 20 34.604 8.379 13.016
114 HA GLU 20 HA GLU 20 34.017 6.215 12.506
115 HB2 GLU 20 HB2 GLU 20 32.339 7.567 11.002
116 HB3 GLU 20 HB1 GLU 20 33.365 6.991 9.686
117 HG2 GLU 20 HG2 GLU 20 33.097 4.670 10.940
118 HG3 GLU 20 HG1 GLU 20 31.634 5.428 11.565
119 H TYR 21 HN TYR 21 36.561 7.812 11.363
120 HA TYR 21 HA TYR 21 37.513 5.707 9.546
121 HB2 TYR 21 HB2 TYR 21 38.771 7.299 8.564
122 HB3 TYR 21 HB1 TYR 21 37.790 8.452 9.471
123 HD1 TYR 21 HD2 TYR 21 38.561 9.123 11.816
124 HD2 TYR 21 HD1 TYR 21 41.078 7.046 9.024
125 HE1 TYR 21 HE2 TYR 21 40.564 9.816 13.105
126 HE2 TYR 21 HE1 TYR 21 43.080 7.738 10.312
127 HH TYR 21 HH TYR 21 43.841 8.868 12.056
128 H THR 22 HN THR 22 37.350 6.042 12.737
129 HA THR 22 HA THR 22 40.116 5.401 13.408
130 HB THR 22 HB THR 22 37.767 5.321 15.295
131 HG1 THR 22 HG1 THR 22 39.011 7.629 15.451
132 HG21 THR 22 HG21 THR 22 39.368 5.521 16.964
133 HG22 THR 22 HG22 THR 22 40.527 6.319 15.900
134 HG23 THR 22 HG23 THR 22 40.260 4.580 15.768
135 H ASP 23 HN ASP 23 37.003 3.812 13.070
136 HA ASP 23 HA ASP 23 37.797 1.336 14.269
137 HB2 ASP 23 HB2 ASP 23 35.671 0.614 13.793
138 HB3 ASP 23 HB1 ASP 23 35.402 2.353 13.695
139 H TRP 24 HN TRP 24 38.470 2.821 11.290
140 HA TRP 24 HA TRP 24 38.592 0.653 9.518
141 HB2 TRP 24 HB2 TRP 24 39.866 2.040 8.123
142 HB3 TRP 24 HB1 TRP 24 38.938 3.190 9.086
143 HD1 TRP 24 HD1 TRP 24 40.611 3.058 11.758
144 HE1 TRP 24 HE1 TRP 24 42.966 4.102 11.844
145 HE3 TRP 24 HE3 TRP 24 41.729 3.121 6.775
146 HZ2 TRP 24 HZ2 TRP 24 45.050 4.863 10.037
147 HZ3 TRP 24 HZ3 TRP 24 43.903 4.010 5.987
148 HH2 TRP 24 HH2 TRP 24 45.564 4.881 7.610
149 H LYS 25 HN LYS 25 41.384 0.848 8.719
150 HA LYS 25 HA LYS 25 42.442 -1.379 10.043
151 HB2 LYS 25 HB2 LYS 25 43.952 0.780 8.550
152 HB3 LYS 25 HB1 LYS 25 44.542 -0.844 8.905
153 HG2 LYS 25 HG2 LYS 25 42.709 -1.815 7.581
154 HG3 LYS 25 HG1 LYS 25 42.090 -0.199 7.239
155 HD2 LYS 25 HD2 LYS 25 44.954 -0.769 6.595
156 HD3 LYS 25 HD1 LYS 25 43.716 -1.436 5.531
157 HE2 LYS 25 HE2 LYS 25 42.753 0.803 5.218
158 HE3 LYS 25 HE1 LYS 25 43.957 1.485 6.312
159 HZ1 LYS 25 HZ1 LYS 25 45.588 0.305 4.670
160 HZ2 LYS 25 HZ2 LYS 25 44.955 1.840 4.309
161 HZ3 LYS 25 HZ3 LYS 25 44.289 0.452 3.589
162 H SER 26 HN SER 26 42.085 -0.796 12.299
163 HA SER 26 HA SER 26 44.056 1.112 13.383
164 HB2 SER 26 HB2 SER 26 41.482 1.124 13.937
165 HB3 SER 26 HB1 SER 26 41.921 -0.173 15.044
166 HG SER 26 HG SER 26 42.490 2.524 15.129
167 H SER 27 HN SER 27 44.794 -1.523 12.419
168 HA SER 27 HA SER 27 46.362 -3.082 13.110
169 HB2 SER 27 HB2 SER 27 46.678 -1.248 15.033
170 HB3 SER 27 HB1 SER 27 45.948 -2.524 16.004
171 HG SER 27 HG SER 27 48.419 -2.376 15.401
172 H GLY 28 HN GLY 28 43.433 -3.422 12.917
173 HA2 GLY 28 HA2 GLY 28 42.292 -5.507 12.979
174 HA3 GLY 28 HA1 GLY 28 43.273 -5.973 14.366
175 H ALA 29 HN ALA 29 41.624 -2.880 14.014
176 HA ALA 29 HA ALA 29 40.200 -1.818 15.502
177 HB1 ALA 29 HB1 ALA 29 38.811 -4.423 14.865
178 HB2 ALA 29 HB2 ALA 29 38.559 -2.847 14.114
179 HB3 ALA 29 HB3 ALA 29 38.036 -3.126 15.775
180 H LEU 30 HN LEU 30 41.988 -2.215 17.160
181 HA LEU 30 HA LEU 30 40.860 -3.765 19.413
182 HB2 LEU 30 HB2 LEU 30 43.647 -3.690 18.331
183 HB3 LEU 30 HB1 LEU 30 43.414 -3.888 20.067
184 HG LEU 30 HG LEU 30 41.796 -5.577 18.192
185 HD11 LEU 30 HD11 LEU 30 43.641 -7.281 18.278
186 HD12 LEU 30 HD12 LEU 30 44.695 -6.039 18.953
187 HD13 LEU 30 HD13 LEU 30 44.047 -5.855 17.323
188 HD21 LEU 30 HD21 LEU 30 41.776 -5.372 20.857
189 HD22 LEU 30 HD22 LEU 30 43.112 -6.515 20.709
190 HD23 LEU 30 HD23 LEU 30 41.525 -6.923 20.054
191 H ILE 31 HN ILE 31 42.637 -0.941 18.313
192 HA ILE 31 HA ILE 31 42.858 0.165 20.977
193 HB ILE 31 HB ILE 31 43.700 1.016 18.241
194 HG12 ILE 31 HG12 ILE 31 44.994 -0.321 20.128
195 HG13 ILE 31 HG11 ILE 31 45.828 0.887 19.150
196 HG21 ILE 31 HG21 ILE 31 44.445 3.207 19.387
197 HG22 ILE 31 HG22 ILE 31 43.215 2.844 20.597
198 HG23 ILE 31 HG23 ILE 31 42.753 3.077 18.910
199 HD11 ILE 31 HD11 ILE 31 45.765 2.499 20.874
200 HD12 ILE 31 HD12 ILE 31 46.130 0.997 21.722
201 HD13 ILE 31 HD13 ILE 31 44.492 1.647 21.748
202 HA PRO 32 HA PRO 32 39.406 3.013 18.925
203 HB2 PRO 32 HB2 PRO 32 37.771 0.811 17.779
204 HB3 PRO 32 HB1 PRO 32 38.112 2.423 17.123
205 HG2 PRO 32 HG2 PRO 32 39.241 0.235 16.108
206 HG3 PRO 32 HG1 PRO 32 40.112 1.775 16.206
207 HD2 PRO 32 HD2 PRO 32 40.394 -0.663 17.923
208 HD3 PRO 32 HD1 PRO 32 41.639 0.479 17.369
209 H ALA 33 HN ALA 33 38.871 -0.292 20.065
210 HA ALA 33 HA ALA 33 36.452 0.250 21.477
211 HB1 ALA 33 HB1 ALA 33 36.582 -2.004 21.258
212 HB2 ALA 33 HB2 ALA 33 37.500 -1.915 22.761
213 HB3 ALA 33 HB3 ALA 33 38.344 -1.997 21.214
214 H ILE 34 HN ILE 34 39.839 0.595 22.219
215 HA ILE 34 HA ILE 34 39.411 0.905 25.070
216 HB ILE 34 HB ILE 34 41.814 1.239 23.272
217 HG12 ILE 34 HG12 ILE 34 41.364 -0.628 25.612
218 HG13 ILE 34 HG11 ILE 34 40.896 -1.054 23.966
219 HG21 ILE 34 HG21 ILE 34 43.008 1.431 25.570
220 HG22 ILE 34 HG22 ILE 34 41.429 1.918 26.185
221 HG23 ILE 34 HG23 ILE 34 42.217 2.871 24.928
222 HD11 ILE 34 HD11 ILE 34 43.398 -1.470 25.069
223 HD12 ILE 34 HD12 ILE 34 43.621 0.017 24.146
224 HD13 ILE 34 HD13 ILE 34 43.038 -1.442 23.342
225 H TYR 35 HN TYR 35 39.031 2.843 22.345
226 HA TYR 35 HA TYR 35 39.780 5.362 23.554
227 HB2 TYR 35 HB2 TYR 35 39.068 4.419 20.935
228 HB3 TYR 35 HB1 TYR 35 38.061 5.805 21.354
229 HD1 TYR 35 HD1 TYR 35 39.129 7.960 22.054
230 HD2 TYR 35 HD2 TYR 35 41.419 4.659 20.535
231 HE1 TYR 35 HE1 TYR 35 41.045 9.479 21.641
232 HE2 TYR 35 HE2 TYR 35 43.335 6.177 20.121
233 HH TYR 35 HH TYR 35 43.647 8.669 19.708
234 H MET 36 HN MET 36 36.684 3.947 22.471
235 HA MET 36 HA MET 36 35.052 5.917 23.671
236 HB2 MET 36 HB2 MET 36 34.441 3.051 22.914
237 HB3 MET 36 HB1 MET 36 33.227 4.245 23.378
238 HG2 MET 36 HG2 MET 36 33.582 5.544 21.460
239 HG3 MET 36 HG1 MET 36 35.185 4.865 21.180
240 HE1 MET 36 HE1 MET 36 35.393 3.507 18.985
241 HE2 MET 36 HE2 MET 36 34.378 4.935 18.799
242 HE3 MET 36 HE3 MET 36 33.901 3.419 18.039
243 H LEU 37 HN LEU 37 36.505 2.973 24.882
244 HA LEU 37 HA LEU 37 34.951 2.606 27.197
245 HB2 LEU 37 HB2 LEU 37 37.403 1.561 26.102
246 HB3 LEU 37 HB1 LEU 37 37.603 1.880 27.825
247 HG LEU 37 HG LEU 37 35.269 0.345 26.649
248 HD11 LEU 37 HD11 LEU 37 38.005 -0.470 27.414
249 HD12 LEU 37 HD12 LEU 37 36.838 -1.283 26.371
250 HD13 LEU 37 HD13 LEU 37 36.720 -1.448 28.122
251 HD21 LEU 37 HD21 LEU 37 34.406 0.456 28.729
252 HD22 LEU 37 HD22 LEU 37 35.700 1.569 29.168
253 HD23 LEU 37 HD23 LEU 37 35.905 -0.164 29.419
254 H VAL 38 HN VAL 38 36.696 5.260 26.347
255 HA VAL 38 HA VAL 38 37.059 6.066 29.167
256 HB VAL 38 HB VAL 38 38.865 6.746 26.834
257 HG11 VAL 38 HG11 VAL 38 40.182 7.539 29.068
258 HG12 VAL 38 HG12 VAL 38 38.519 7.848 29.571
259 HG13 VAL 38 HG13 VAL 38 39.159 8.617 28.119
260 HG21 VAL 38 HG21 VAL 38 39.114 4.904 29.217
261 HG22 VAL 38 HG22 VAL 38 40.535 5.533 28.382
262 HG23 VAL 38 HG23 VAL 38 39.375 4.528 27.513
263 H PHE 39 HN PHE 39 35.130 6.476 26.689
264 HA PHE 39 HA PHE 39 34.835 9.386 27.124
265 HB2 PHE 39 HB2 PHE 39 35.745 8.820 24.848
266 HB3 PHE 39 HB1 PHE 39 34.246 7.948 24.531
267 HD1 PHE 39 HD2 PHE 39 35.475 11.287 25.716
268 HD2 PHE 39 HD1 PHE 39 32.415 9.104 23.636
269 HE1 PHE 39 HE2 PHE 39 34.365 13.419 25.108
270 HE2 PHE 39 HE1 PHE 39 31.306 11.235 23.029
271 HZ PHE 39 HZ PHE 39 32.281 13.395 23.765
272 H LEU 40 HN LEU 40 33.574 6.896 28.302
273 HA LEU 40 HA LEU 40 30.793 7.766 27.898
274 HB2 LEU 40 HB2 LEU 40 30.039 5.408 27.857
275 HB3 LEU 40 HB1 LEU 40 31.063 5.803 26.483
276 HG LEU 40 HG LEU 40 33.032 4.929 27.892
277 HD11 LEU 40 HD11 LEU 40 32.480 4.435 30.038
278 HD12 LEU 40 HD12 LEU 40 31.821 2.950 29.364
279 HD13 LEU 40 HD13 LEU 40 30.759 4.316 29.681
280 HD21 LEU 40 HD21 LEU 40 32.592 3.512 26.145
281 HD22 LEU 40 HD22 LEU 40 30.876 3.396 26.535
282 HD23 LEU 40 HD23 LEU 40 32.054 2.457 27.452
283 H LEU 41 HN LEU 41 33.334 6.852 29.934
284 HA LEU 41 HA LEU 41 31.648 6.083 32.176
285 HB2 LEU 41 HB2 LEU 41 33.601 5.468 33.264
286 HB3 LEU 41 HB1 LEU 41 34.081 5.272 31.586
287 HG LEU 41 HG LEU 41 34.831 7.781 31.762
288 HD11 LEU 41 HD11 LEU 41 35.706 7.380 34.489
289 HD12 LEU 41 HD12 LEU 41 33.947 7.366 34.430
290 HD13 LEU 41 HD13 LEU 41 34.839 8.748 33.801
291 HD21 LEU 41 HD21 LEU 41 36.338 5.880 31.389
292 HD22 LEU 41 HD22 LEU 41 36.336 5.524 33.116
293 HD23 LEU 41 HD23 LEU 41 37.060 7.019 32.525
294 H GLY 42 HN GLY 42 33.179 8.915 30.894
295 HA2 GLY 42 HA2 GLY 42 32.576 10.432 33.353
296 HA3 GLY 42 HA1 GLY 42 33.664 10.957 32.069
297 H THR 43 HN THR 43 31.286 9.691 30.348
298 HA THR 43 HA THR 43 29.506 12.040 30.476
299 HB THR 43 HB THR 43 29.638 12.439 28.161
300 HG1 THR 43 HG1 THR 43 29.686 10.651 27.055
301 HG21 THR 43 HG21 THR 43 31.752 12.910 29.642
302 HG22 THR 43 HG22 THR 43 31.858 13.100 27.891
303 HG23 THR 43 HG23 THR 43 32.488 11.643 28.661
304 H THR 44 HN THR 44 27.941 10.736 31.451
305 HA THR 44 HA THR 44 26.132 9.445 29.714
306 HB THR 44 HB THR 44 27.984 7.656 31.282
307 HG1 THR 44 HG1 THR 44 27.006 6.906 28.846
308 HG21 THR 44 HG21 THR 44 25.107 7.252 30.541
309 HG22 THR 44 HG22 THR 44 25.960 6.769 32.007
310 HG23 THR 44 HG23 THR 44 26.211 5.877 30.506
311 H GLY 45 HN GLY 45 27.213 8.654 33.012
312 HA2 GLY 45 HA2 GLY 45 24.734 9.853 34.071
313 HA3 GLY 45 HA1 GLY 45 25.175 8.205 34.513
314 H ASN 46 HN ASN 46 27.843 10.245 34.015
315 HA ASN 46 HA ASN 46 28.784 10.000 36.666
316 HB2 ASN 46 HB2 ASN 46 30.555 11.529 35.980
317 HB3 ASN 46 HB1 ASN 46 30.252 10.353 34.703
318 HD21 ASN 46 HD21 ASN 46 28.904 11.121 32.828
319 HD22 ASN 46 HD22 ASN 46 28.889 12.776 32.448
320 H GLY 47 HN GLY 47 26.664 10.766 37.638
321 HA2 GLY 47 HA2 GLY 47 27.020 13.516 38.516
322 HA3 GLY 47 HA1 GLY 47 25.517 13.191 37.659
323 H LEU 48 HN LEU 48 25.122 10.534 38.606
324 HA LEU 48 HA LEU 48 24.860 10.860 41.520
325 HB2 LEU 48 HB2 LEU 48 22.707 11.032 39.629
326 HB3 LEU 48 HB1 LEU 48 22.500 9.584 40.613
327 HG LEU 48 HG LEU 48 23.055 12.344 41.737
328 HD11 LEU 48 HD11 LEU 48 20.515 10.846 41.165
329 HD12 LEU 48 HD12 LEU 48 20.874 12.557 40.930
330 HD13 LEU 48 HD13 LEU 48 20.590 11.930 42.554
331 HD21 LEU 48 HD21 LEU 48 21.805 10.504 43.547
332 HD22 LEU 48 HD22 LEU 48 23.395 11.255 43.681
333 HD23 LEU 48 HD23 LEU 48 23.215 9.715 42.839
334 H VAL 49 HN VAL 49 25.415 8.927 38.762
335 HA VAL 49 HA VAL 49 24.857 6.359 39.860
336 HB VAL 49 HB VAL 49 26.728 7.199 37.633
337 HG11 VAL 49 HG11 VAL 49 25.920 4.530 38.749
338 HG12 VAL 49 HG12 VAL 49 27.499 5.066 38.174
339 HG13 VAL 49 HG13 VAL 49 26.223 4.687 37.017
340 HG21 VAL 49 HG21 VAL 49 23.948 5.983 37.557
341 HG22 VAL 49 HG22 VAL 49 24.901 6.518 36.173
342 HG23 VAL 49 HG23 VAL 49 24.287 7.699 37.330
343 H LEU 50 HN LEU 50 27.503 8.583 40.157
344 HA LEU 50 HA LEU 50 29.369 6.605 41.160
345 HB2 LEU 50 HB2 LEU 50 29.757 9.540 41.581
346 HB3 LEU 50 HB1 LEU 50 30.941 8.297 41.175
347 HG LEU 50 HG LEU 50 28.841 9.464 39.326
348 HD11 LEU 50 HD11 LEU 50 31.543 9.528 38.356
349 HD12 LEU 50 HD12 LEU 50 31.499 10.236 39.971
350 HD13 LEU 50 HD13 LEU 50 30.467 10.883 38.696
351 HD21 LEU 50 HD21 LEU 50 30.365 7.972 37.704
352 HD22 LEU 50 HD22 LEU 50 28.946 7.305 38.512
353 HD23 LEU 50 HD23 LEU 50 30.554 7.021 39.178
354 H TRP 51 HN TRP 51 27.137 8.993 42.450
355 HA TRP 51 HA TRP 51 27.947 9.229 45.071
356 HB2 TRP 51 HB2 TRP 51 26.070 10.470 44.907
357 HB3 TRP 51 HB1 TRP 51 25.411 9.455 43.624
358 HD1 TRP 51 HD1 TRP 51 24.110 7.209 44.386
359 HE1 TRP 51 HE1 TRP 51 22.816 6.680 46.553
360 HE3 TRP 51 HE3 TRP 51 25.932 10.886 47.426
361 HZ2 TRP 51 HZ2 TRP 51 22.585 7.682 49.221
362 HZ3 TRP 51 HZ3 TRP 51 25.159 11.076 49.773
363 HH2 TRP 51 HH2 TRP 51 23.489 9.479 50.674
364 H THR 52 HN THR 52 26.666 6.449 43.445
365 HA THR 52 HA THR 52 25.945 5.003 45.829
366 HB THR 52 HB THR 52 26.180 4.341 42.913
367 HG1 THR 52 HG1 THR 52 24.161 4.779 43.205
368 HG21 THR 52 HG21 THR 52 26.126 2.420 45.232
369 HG22 THR 52 HG22 THR 52 27.117 2.361 43.773
370 HG23 THR 52 HG23 THR 52 25.394 1.991 43.686
371 H VAL 53 HN VAL 53 28.684 4.987 43.572
372 HA VAL 53 HA VAL 53 30.109 2.986 45.109
373 HB VAL 53 HB VAL 53 31.470 4.638 43.034
374 HG11 VAL 53 HG11 VAL 53 31.308 1.658 43.591
375 HG12 VAL 53 HG12 VAL 53 32.579 2.731 44.175
376 HG13 VAL 53 HG13 VAL 53 32.398 2.439 42.445
377 HG21 VAL 53 HG21 VAL 53 30.369 3.084 41.311
378 HG22 VAL 53 HG22 VAL 53 29.364 4.390 41.940
379 HG23 VAL 53 HG23 VAL 53 29.157 2.748 42.548
380 H PHE 54 HN PHE 54 30.940 6.311 44.112
381 HA PHE 54 HA PHE 54 33.104 6.824 45.657
382 HB2 PHE 54 HB2 PHE 54 32.250 8.523 44.191
383 HB3 PHE 54 HB1 PHE 54 30.751 8.642 45.113
384 HD1 PHE 54 HD1 PHE 54 34.452 9.085 45.399
385 HD2 PHE 54 HD2 PHE 54 30.581 10.112 46.951
386 HE1 PHE 54 HE1 PHE 54 35.496 10.776 46.882
387 HE2 PHE 54 HE2 PHE 54 31.624 11.803 48.435
388 HZ PHE 54 HZ PHE 54 34.082 12.136 48.400
389 H ARG 55 HN ARG 55 29.770 6.621 46.768
390 HA ARG 55 HA ARG 55 30.321 7.592 49.414
391 HB2 ARG 55 HB2 ARG 55 28.082 7.788 48.495
392 HB3 ARG 55 HB1 ARG 55 27.975 6.039 48.299
393 HG2 ARG 55 HG2 ARG 55 28.707 6.862 51.018
394 HG3 ARG 55 HG1 ARG 55 27.120 7.440 50.513
395 HD2 ARG 55 HD2 ARG 55 26.331 5.247 50.087
396 HD3 ARG 55 HD1 ARG 55 27.959 4.572 50.092
397 HE ARG 55 HE ARG 55 27.910 4.548 52.423
398 HH11 ARG 55 HH21 ARG 55 25.211 6.253 51.092
399 HH12 ARG 55 HH22 ARG 55 24.344 6.331 52.588
400 HH21 ARG 55 HH11 ARG 55 26.778 4.643 54.391
401 HH22 ARG 55 HH12 ARG 55 25.232 5.420 54.457
402 H LYS 56 HN LYS 56 30.041 4.402 47.901
403 HA LYS 56 HA LYS 56 30.002 2.741 50.096
404 HB2 LYS 56 HB2 LYS 56 30.532 2.456 47.349
405 HB3 LYS 56 HB1 LYS 56 31.910 1.734 48.178
406 HG2 LYS 56 HG2 LYS 56 30.222 0.022 47.902
407 HG3 LYS 56 HG1 LYS 56 30.289 0.455 49.612
408 HD2 LYS 56 HD2 LYS 56 28.092 0.929 49.536
409 HD3 LYS 56 HD1 LYS 56 28.448 2.239 48.409
410 HE2 LYS 56 HE2 LYS 56 28.304 0.663 46.519
411 HE3 LYS 56 HE1 LYS 56 27.958 -0.654 47.640
412 HZ1 LYS 56 HZ1 LYS 56 25.842 -0.044 47.764
413 HZ2 LYS 56 HZ2 LYS 56 26.129 1.015 46.467
414 HZ3 LYS 56 HZ3 LYS 56 26.237 1.576 48.067
415 H LYS 57 HN LYS 57 33.043 3.499 48.386
416 HA LYS 57 HA LYS 57 34.675 2.737 50.581
417 HB2 LYS 57 HB2 LYS 57 36.375 4.247 49.196
418 HB3 LYS 57 HB1 LYS 57 35.887 2.653 48.628
419 HG2 LYS 57 HG2 LYS 57 34.182 4.989 47.858
420 HG3 LYS 57 HG1 LYS 57 35.735 4.804 47.048
421 HD2 LYS 57 HD2 LYS 57 34.012 2.374 47.289
422 HD3 LYS 57 HD1 LYS 57 33.531 3.609 46.128
423 HE2 LYS 57 HE2 LYS 57 35.165 1.710 45.362
424 HE3 LYS 57 HE1 LYS 57 35.477 3.371 44.858
425 HZ1 LYS 57 HZ1 LYS 57 37.495 2.928 45.710
426 HZ2 LYS 57 HZ2 LYS 57 36.930 1.693 46.731
427 HZ3 LYS 57 HZ3 LYS 57 36.753 3.320 47.184
428 H GLY 58 HN GLY 58 33.314 4.024 52.156
429 HA2 GLY 58 HA2 GLY 58 33.972 6.877 52.247
430 HA3 GLY 58 HA1 GLY 58 32.806 6.044 53.271
431 H HIS 59 HN HIS 59 36.081 4.917 52.658
432 HA HIS 59 HA HIS 59 36.647 5.183 55.536
433 HB2 HIS 59 HB2 HIS 59 38.012 3.521 53.406
434 HB3 HIS 59 HB1 HIS 59 38.440 3.538 55.116
435 HD2 HIS 59 HD2 HIS 59 35.685 2.044 52.781
436 HE1 HIS 59 HE1 HIS 59 34.832 0.807 56.726
437 HE2 HIS 59 HE2 HIS 59 34.205 0.505 54.284
438 H HIS 60 HN HIS 60 37.533 6.395 52.435
439 HA HIS 60 HA HIS 60 40.164 7.195 52.764
440 HB2 HIS 60 HB2 HIS 60 38.007 7.818 51.004
441 HB3 HIS 60 HB1 HIS 60 38.761 9.332 51.504
442 HD2 HIS 60 HD2 HIS 60 40.862 9.911 49.827
443 HE1 HIS 60 HE1 HIS 60 42.050 5.960 48.931
444 HE2 HIS 60 HE2 HIS 60 42.544 8.414 48.504
445 H HIS 61 HN HIS 61 41.066 9.293 53.314
446 HA HIS 61 HA HIS 61 40.287 10.191 55.871
447 HB2 HIS 61 HB2 HIS 61 42.081 11.434 53.778
448 HB3 HIS 61 HB1 HIS 61 41.892 12.077 55.409
449 HD2 HIS 61 HD2 HIS 61 42.609 8.341 54.173
450 HE1 HIS 61 HE1 HIS 61 45.266 9.326 57.302
451 HE2 HIS 61 HE2 HIS 61 44.553 7.492 55.697
452 H HIS 62 HN HIS 62 39.686 12.442 56.427
453 HA HIS 62 HA HIS 62 37.243 13.188 55.282
454 HB2 HIS 62 HB2 HIS 62 39.017 15.163 56.694
455 HB3 HIS 62 HB1 HIS 62 37.261 15.009 56.757
456 HD2 HIS 62 HD2 HIS 62 38.918 14.805 59.611
457 HE1 HIS 62 HE1 HIS 62 38.136 10.665 59.341
458 HE2 HIS 62 HE2 HIS 62 38.822 12.542 60.909
459 H HIS 63 HN HIS 63 37.171 15.818 54.754
460 HA HIS 63 HA HIS 63 39.184 16.661 52.895
461 HB2 HIS 63 HB2 HIS 63 36.827 15.186 51.936
462 HB3 HIS 63 HB1 HIS 63 37.102 16.727 51.123
463 HD2 HIS 63 HD2 HIS 63 38.221 13.213 50.618
464 HE1 HIS 63 HE1 HIS 63 41.523 15.521 49.356
465 HE2 HIS 63 HE2 HIS 63 40.492 13.200 49.330
466 H HIS 64 HN HIS 64 39.221 18.811 52.991
467 HA HIS 64 HA HIS 64 37.389 20.341 54.456
468 HB2 HIS 64 HB2 HIS 64 38.529 22.288 53.536
469 HB3 HIS 64 HB1 HIS 64 39.714 21.044 53.934
470 HD2 HIS 64 HD2 HIS 64 37.849 22.275 50.631
471 HE1 HIS 64 HE1 HIS 64 41.562 20.562 49.580
472 HE2 HIS 64 HE2 HIS 64 39.507 21.756 48.683
Start of MODEL 29
1 H1 MET 1 HT1 MET 1 9.149 -16.190 42.223
2 H2 MET 1 HT2 MET 1 9.593 -16.694 43.783
3 H3 MET 1 HT3 MET 1 7.982 -16.842 43.267
4 HA MET 1 HA MET 1 9.628 -18.880 43.252
5 HB2 MET 1 HB2 MET 1 8.248 -19.644 41.164
6 HB3 MET 1 HB1 MET 1 7.393 -19.279 42.664
7 HG2 MET 1 HG2 MET 1 6.507 -17.311 41.845
8 HG3 MET 1 HG1 MET 1 7.865 -17.030 40.755
9 HE1 MET 1 HE1 MET 1 8.032 -17.756 38.377
10 HE2 MET 1 HE2 MET 1 6.845 -16.486 38.660
11 HE3 MET 1 HE3 MET 1 6.485 -17.779 37.520
12 H GLU 2 HN GLU 2 11.687 -19.011 42.577
13 HA GLU 2 HA GLU 2 12.243 -18.675 39.730
14 HB2 GLU 2 HB2 GLU 2 14.389 -17.388 40.428
15 HB3 GLU 2 HB1 GLU 2 12.866 -16.501 40.341
16 HG2 GLU 2 HG2 GLU 2 13.442 -17.799 42.942
17 HG3 GLU 2 HG1 GLU 2 14.498 -16.454 42.511
18 H GLU 3 HN GLU 3 12.652 -20.867 39.592
19 HA GLU 3 HA GLU 3 15.269 -21.733 40.302
20 HB2 GLU 3 HB2 GLU 3 14.532 -22.103 42.507
21 HB3 GLU 3 HB1 GLU 3 12.956 -22.689 41.975
22 HG2 GLU 3 HG2 GLU 3 13.793 -24.767 41.329
23 HG3 GLU 3 HG1 GLU 3 15.434 -24.154 41.126
24 H GLY 4 HN GLY 4 15.555 -22.484 38.263
25 HA2 GLY 4 HA2 GLY 4 15.545 -24.482 36.922
26 HA3 GLY 4 HA1 GLY 4 13.895 -24.785 37.455
27 H GLY 5 HN GLY 5 15.019 -21.621 36.457
28 HA2 GLY 5 HA2 GLY 5 12.912 -21.315 34.563
29 HA3 GLY 5 HA1 GLY 5 14.260 -20.207 34.802
30 H ASP 6 HN ASP 6 12.862 -22.410 32.697
31 HA ASP 6 HA ASP 6 15.292 -23.261 31.367
32 HB2 ASP 6 HB2 ASP 6 12.630 -24.145 31.432
33 HB3 ASP 6 HB1 ASP 6 12.890 -23.569 29.785
34 H PHE 7 HN PHE 7 16.087 -22.518 29.427
35 HA PHE 7 HA PHE 7 15.062 -19.893 28.562
36 HB2 PHE 7 HB2 PHE 7 17.282 -19.581 27.545
37 HB3 PHE 7 HB1 PHE 7 17.414 -19.940 29.266
38 HD1 PHE 7 HD1 PHE 7 17.812 -22.393 29.953
39 HD2 PHE 7 HD2 PHE 7 18.374 -20.933 25.952
40 HE1 PHE 7 HE1 PHE 7 19.230 -24.360 29.433
41 HE2 PHE 7 HE2 PHE 7 19.792 -22.900 25.433
42 HZ PHE 7 HZ PHE 7 20.220 -24.613 27.175
43 H ASP 8 HN ASP 8 16.317 -19.858 26.044
44 HA ASP 8 HA ASP 8 15.775 -20.303 23.854
45 HB2 ASP 8 HB2 ASP 8 17.045 -22.417 24.714
46 HB3 ASP 8 HB1 ASP 8 15.464 -23.189 24.609
47 H ASN 9 HN ASN 9 13.599 -19.508 25.434
48 HA ASN 9 HA ASN 9 11.416 -20.879 24.015
49 HB2 ASN 9 HB2 ASN 9 11.487 -21.824 26.289
50 HB3 ASN 9 HB1 ASN 9 11.374 -20.200 26.964
51 HD21 ASN 9 HD21 ASN 9 9.295 -21.110 27.965
52 HD22 ASN 9 HD22 ASN 9 7.883 -21.071 27.023
53 H TYR 10 HN TYR 10 12.614 -18.465 23.293
54 HA TYR 10 HA TYR 10 10.338 -16.724 23.321
55 HB2 TYR 10 HB2 TYR 10 12.636 -16.219 25.118
56 HB3 TYR 10 HB1 TYR 10 12.061 -14.836 24.187
57 HD1 TYR 10 HD2 TYR 10 9.571 -14.269 24.258
58 HD2 TYR 10 HD1 TYR 10 11.430 -17.006 26.997
59 HE1 TYR 10 HE2 TYR 10 7.650 -14.022 25.808
60 HE2 TYR 10 HE1 TYR 10 9.510 -16.759 28.547
61 HH TYR 10 HH TYR 10 6.613 -15.612 27.714
62 H TYR 11 HN TYR 11 10.438 -15.154 21.708
63 HA TYR 11 HA TYR 11 12.005 -15.706 19.460
64 HB2 TYR 11 HB2 TYR 11 10.175 -13.549 20.307
65 HB3 TYR 11 HB1 TYR 11 11.353 -13.093 19.076
66 HD1 TYR 11 HD2 TYR 11 9.657 -16.367 19.722
67 HD2 TYR 11 HD1 TYR 11 10.204 -13.068 17.027
68 HE1 TYR 11 HE2 TYR 11 8.319 -17.551 18.002
69 HE2 TYR 11 HE1 TYR 11 8.867 -14.252 15.306
70 HH TYR 11 HH TYR 11 7.916 -17.578 15.687
71 H GLY 12 HN GLY 12 13.259 -13.657 18.435
72 HA2 GLY 12 HA2 GLY 12 14.780 -11.815 19.478
73 HA3 GLY 12 HA1 GLY 12 15.515 -13.207 20.270
74 H ALA 13 HN ALA 13 16.201 -11.165 17.971
75 HA ALA 13 HA ALA 13 16.980 -13.088 15.894
76 HB1 ALA 13 HB1 ALA 13 17.572 -11.093 14.579
77 HB2 ALA 13 HB2 ALA 13 17.178 -10.067 15.958
78 HB3 ALA 13 HB3 ALA 13 15.910 -11.000 15.163
79 H ASP 14 HN ASP 14 18.433 -13.866 17.842
80 HA ASP 14 HA ASP 14 20.956 -12.350 17.896
81 HB2 ASP 14 HB2 ASP 14 21.542 -13.679 19.822
82 HB3 ASP 14 HB1 ASP 14 19.904 -13.069 20.054
83 H ASN 15 HN ASN 15 20.396 -13.590 15.479
84 HA ASN 15 HA ASN 15 21.941 -16.086 15.465
85 HB2 ASN 15 HB2 ASN 15 20.566 -14.750 13.130
86 HB3 ASN 15 HB1 ASN 15 21.112 -16.422 13.248
87 HD21 ASN 15 HD21 ASN 15 18.405 -15.912 12.636
88 HD22 ASN 15 HD22 ASN 15 17.441 -16.349 13.963
89 H GLN 16 HN GLN 16 22.038 -12.764 14.313
90 HA GLN 16 HA GLN 16 24.132 -12.859 12.505
91 HB2 GLN 16 HB2 GLN 16 24.533 -10.520 13.042
92 HB3 GLN 16 HB1 GLN 16 22.796 -10.829 13.037
93 HG2 GLN 16 HG2 GLN 16 23.454 -11.393 15.643
94 HG3 GLN 16 HG1 GLN 16 24.561 -10.072 15.271
95 HE21 GLN 16 HE21 GLN 16 21.249 -10.863 15.958
96 HE22 GLN 16 HE22 GLN 16 20.621 -9.299 15.753
97 H SER 17 HN SER 17 24.188 -13.339 15.929
98 HA SER 17 HA SER 17 25.919 -13.556 17.451
99 HB2 SER 17 HB2 SER 17 25.967 -15.680 16.151
100 HB3 SER 17 HB1 SER 17 27.160 -14.961 15.074
101 HG SER 17 HG SER 17 27.561 -16.158 17.395
102 H GLU 18 HN GLU 18 26.013 -11.049 16.223
103 HA GLU 18 HA GLU 18 27.424 -9.319 15.618
104 HB2 GLU 18 HB2 GLU 18 28.111 -10.428 18.103
105 HB3 GLU 18 HB1 GLU 18 29.643 -10.143 17.278
106 HG2 GLU 18 HG2 GLU 18 29.074 -8.120 18.459
107 HG3 GLU 18 HG1 GLU 18 28.825 -7.817 16.741
108 H CYS 19 HN CYS 19 30.180 -9.092 15.544
109 HA CYS 19 HA CYS 19 32.038 -9.536 14.260
110 HB2 CYS 19 HB2 CYS 19 32.651 -11.705 14.075
111 HB3 CYS 19 HB1 CYS 19 31.196 -12.030 15.019
112 HG CYS 19 HG CYS 19 29.921 -12.361 12.687
113 H GLU 20 HN GLU 20 32.643 -9.323 12.095
114 HA GLU 20 HA GLU 20 32.381 -8.903 9.848
115 HB2 GLU 20 HB2 GLU 20 30.936 -11.139 10.184
116 HB3 GLU 20 HB1 GLU 20 29.633 -10.031 9.752
117 HG2 GLU 20 HG2 GLU 20 31.042 -9.310 7.771
118 HG3 GLU 20 HG1 GLU 20 32.127 -10.647 8.151
119 H TYR 21 HN TYR 21 30.684 -7.574 12.272
120 HA TYR 21 HA TYR 21 29.517 -5.528 10.500
121 HB2 TYR 21 HB2 TYR 21 27.548 -6.616 11.104
122 HB3 TYR 21 HB1 TYR 21 28.156 -7.043 12.703
123 HD1 TYR 21 HD2 TYR 21 27.016 -4.192 10.594
124 HD2 TYR 21 HD1 TYR 21 27.855 -5.596 14.567
125 HE1 TYR 21 HE2 TYR 21 25.984 -2.143 11.537
126 HE2 TYR 21 HE1 TYR 21 26.822 -3.547 15.509
127 HH TYR 21 HH TYR 21 25.891 -1.586 15.059
128 H THR 22 HN THR 22 30.781 -6.431 13.658
129 HA THR 22 HA THR 22 30.912 -3.643 14.519
130 HB THR 22 HB THR 22 31.836 -6.175 15.899
131 HG1 THR 22 HG1 THR 22 29.434 -5.294 15.434
132 HG21 THR 22 HG21 THR 22 31.653 -3.283 16.744
133 HG22 THR 22 HG22 THR 22 33.045 -4.361 16.839
134 HG23 THR 22 HG23 THR 22 31.670 -4.598 17.919
135 H ASP 23 HN ASP 23 32.931 -6.090 13.121
136 HA ASP 23 HA ASP 23 35.395 -4.650 13.747
137 HB2 ASP 23 HB2 ASP 23 35.338 -7.135 13.797
138 HB3 ASP 23 HB1 ASP 23 34.985 -7.136 12.070
139 H TRP 24 HN TRP 24 32.990 -4.151 11.645
140 HA TRP 24 HA TRP 24 34.184 -3.939 9.114
141 HB2 TRP 24 HB2 TRP 24 32.323 -2.591 8.499
142 HB3 TRP 24 HB1 TRP 24 31.719 -3.756 9.674
143 HD1 TRP 24 HD1 TRP 24 33.229 -1.924 12.103
144 HE1 TRP 24 HE1 TRP 24 31.880 0.091 12.963
145 HE3 TRP 24 HE3 TRP 24 29.946 -1.345 8.232
146 HZ2 TRP 24 HZ2 TRP 24 29.695 1.736 12.125
147 HZ3 TRP 24 HZ3 TRP 24 28.242 0.454 8.291
148 HH2 TRP 24 HH2 TRP 24 28.112 1.993 10.230
149 H LYS 25 HN LYS 25 33.422 -1.045 8.759
150 HA LYS 25 HA LYS 25 35.983 0.075 8.813
151 HB2 LYS 25 HB2 LYS 25 34.818 2.248 8.473
152 HB3 LYS 25 HB1 LYS 25 34.253 0.982 7.387
153 HG2 LYS 25 HG2 LYS 25 32.160 1.160 8.184
154 HG3 LYS 25 HG1 LYS 25 32.731 0.893 9.830
155 HD2 LYS 25 HD2 LYS 25 31.647 3.059 9.746
156 HD3 LYS 25 HD1 LYS 25 33.380 3.318 9.932
157 HE2 LYS 25 HE2 LYS 25 32.880 3.141 7.146
158 HE3 LYS 25 HE1 LYS 25 31.651 4.214 7.814
159 HZ1 LYS 25 HZ1 LYS 25 33.692 5.391 7.198
160 HZ2 LYS 25 HZ2 LYS 25 34.570 4.452 8.310
161 HZ3 LYS 25 HZ3 LYS 25 33.365 5.518 8.857
162 H SER 26 HN SER 26 36.734 -0.507 10.955
163 HA SER 26 HA SER 26 36.078 1.591 12.910
164 HB2 SER 26 HB2 SER 26 35.347 -1.149 13.180
165 HB3 SER 26 HB1 SER 26 36.631 -0.816 14.338
166 HG SER 26 HG SER 26 34.345 0.826 13.967
167 H SER 27 HN SER 27 38.340 0.698 11.001
168 HA SER 27 HA SER 27 40.627 0.978 11.011
169 HB2 SER 27 HB2 SER 27 39.812 2.544 13.102
170 HB3 SER 27 HB1 SER 27 40.899 1.417 13.909
171 HG SER 27 HG SER 27 42.458 1.939 12.292
172 H GLY 28 HN GLY 28 39.278 -1.562 11.559
173 HA2 GLY 28 HA2 GLY 28 40.113 -3.722 11.814
174 HA3 GLY 28 HA1 GLY 28 41.598 -3.043 12.474
175 H ALA 29 HN ALA 29 39.167 -1.530 14.070
176 HA ALA 29 HA ALA 29 38.393 -1.652 16.229
177 HB1 ALA 29 HB1 ALA 29 38.121 -4.514 15.314
178 HB2 ALA 29 HB2 ALA 29 36.862 -3.286 15.447
179 HB3 ALA 29 HB3 ALA 29 37.576 -3.979 16.903
180 H LEU 30 HN LEU 30 41.152 -1.548 16.045
181 HA LEU 30 HA LEU 30 41.929 -3.130 18.409
182 HB2 LEU 30 HB2 LEU 30 43.412 -2.894 15.795
183 HB3 LEU 30 HB1 LEU 30 44.245 -3.282 17.302
184 HG LEU 30 HG LEU 30 41.784 -4.845 16.765
185 HD11 LEU 30 HD11 LEU 30 44.288 -5.070 15.079
186 HD12 LEU 30 HD12 LEU 30 42.626 -4.879 14.521
187 HD13 LEU 30 HD13 LEU 30 43.139 -6.396 15.263
188 HD21 LEU 30 HD21 LEU 30 43.456 -5.106 18.689
189 HD22 LEU 30 HD22 LEU 30 44.576 -5.758 17.494
190 HD23 LEU 30 HD23 LEU 30 43.050 -6.581 17.812
191 H ILE 31 HN ILE 31 41.110 -0.712 18.881
192 HA ILE 31 HA ILE 31 43.100 0.650 20.163
193 HB ILE 31 HB ILE 31 43.253 1.177 17.314
194 HG12 ILE 31 HG12 ILE 31 45.118 0.730 18.969
195 HG13 ILE 31 HG11 ILE 31 45.378 2.128 17.933
196 HG21 ILE 31 HG21 ILE 31 41.774 3.080 17.690
197 HG22 ILE 31 HG22 ILE 31 43.419 3.653 17.457
198 HG23 ILE 31 HG23 ILE 31 42.734 3.601 19.076
199 HD11 ILE 31 HD11 ILE 31 43.948 2.800 20.405
200 HD12 ILE 31 HD12 ILE 31 45.374 3.550 19.690
201 HD13 ILE 31 HD13 ILE 31 45.545 2.115 20.698
202 HA PRO 32 HA PRO 32 39.193 3.470 19.503
203 HB2 PRO 32 HB2 PRO 32 37.243 1.549 18.402
204 HB3 PRO 32 HB1 PRO 32 37.610 3.202 17.880
205 HG2 PRO 32 HG2 PRO 32 38.314 1.060 16.434
206 HG3 PRO 32 HG1 PRO 32 39.300 2.532 16.490
207 HD2 PRO 32 HD2 PRO 32 39.721 -0.076 17.913
208 HD3 PRO 32 HD1 PRO 32 40.922 0.998 17.159
209 H ALA 33 HN ALA 33 38.437 0.011 19.964
210 HA ALA 33 HA ALA 33 36.463 0.126 21.856
211 HB1 ALA 33 HB1 ALA 33 36.954 -2.050 21.313
212 HB2 ALA 33 HB2 ALA 33 37.806 -1.948 22.854
213 HB3 ALA 33 HB3 ALA 33 38.696 -1.777 21.341
214 H ILE 34 HN ILE 34 39.826 0.950 22.242
215 HA ILE 34 HA ILE 34 39.703 1.002 25.140
216 HB ILE 34 HB ILE 34 41.797 1.768 23.112
217 HG12 ILE 34 HG12 ILE 34 43.041 -0.039 24.243
218 HG13 ILE 34 HG11 ILE 34 41.696 -0.268 25.362
219 HG21 ILE 34 HG21 ILE 34 41.637 2.373 26.054
220 HG22 ILE 34 HG22 ILE 34 42.207 3.402 24.740
221 HG23 ILE 34 HG23 ILE 34 43.202 2.059 25.304
222 HD11 ILE 34 HD11 ILE 34 40.304 -1.163 23.715
223 HD12 ILE 34 HD12 ILE 34 41.878 -1.799 23.235
224 HD13 ILE 34 HD13 ILE 34 41.200 -0.400 22.401
225 H TYR 35 HN TYR 35 39.573 3.285 22.460
226 HA TYR 35 HA TYR 35 39.695 5.651 24.037
227 HB2 TYR 35 HB2 TYR 35 39.478 4.974 21.273
228 HB3 TYR 35 HB1 TYR 35 38.192 6.116 21.663
229 HD1 TYR 35 HD1 TYR 35 38.822 8.246 22.958
230 HD2 TYR 35 HD2 TYR 35 41.708 5.710 21.033
231 HE1 TYR 35 HE1 TYR 35 40.472 10.097 22.994
232 HE2 TYR 35 HE2 TYR 35 43.358 7.562 21.070
233 HH TYR 35 HH TYR 35 43.186 10.139 22.969
234 H MET 36 HN MET 36 36.984 3.857 22.582
235 HA MET 36 HA MET 36 34.937 5.529 23.590
236 HB2 MET 36 HB2 MET 36 33.512 3.412 23.231
237 HB3 MET 36 HB1 MET 36 34.317 4.098 21.821
238 HG2 MET 36 HG2 MET 36 35.626 2.281 21.552
239 HG3 MET 36 HG1 MET 36 35.993 2.186 23.276
240 HE1 MET 36 HE1 MET 36 33.458 0.129 24.909
241 HE2 MET 36 HE2 MET 36 34.527 1.527 24.986
242 HE3 MET 36 HE3 MET 36 35.187 -0.057 24.586
243 H LEU 37 HN LEU 37 36.828 2.998 25.026
244 HA LEU 37 HA LEU 37 35.089 2.276 27.138
245 HB2 LEU 37 HB2 LEU 37 37.096 0.966 26.480
246 HB3 LEU 37 HB1 LEU 37 38.120 2.259 27.096
247 HG LEU 37 HG LEU 37 37.117 1.959 29.352
248 HD11 LEU 37 HD11 LEU 37 34.995 1.063 29.144
249 HD12 LEU 37 HD12 LEU 37 35.901 -0.410 29.489
250 HD13 LEU 37 HD13 LEU 37 35.462 -0.013 27.828
251 HD21 LEU 37 HD21 LEU 37 38.265 -0.108 29.876
252 HD22 LEU 37 HD22 LEU 37 39.175 0.716 28.610
253 HD23 LEU 37 HD23 LEU 37 38.139 -0.653 28.204
254 H VAL 38 HN VAL 38 37.384 4.903 26.714
255 HA VAL 38 HA VAL 38 36.950 5.813 29.469
256 HB VAL 38 HB VAL 38 38.656 7.240 27.450
257 HG11 VAL 38 HG11 VAL 38 38.043 7.816 30.016
258 HG12 VAL 38 HG12 VAL 38 39.603 8.218 29.297
259 HG13 VAL 38 HG13 VAL 38 39.434 6.765 30.282
260 HG21 VAL 38 HG21 VAL 38 40.453 5.639 28.685
261 HG22 VAL 38 HG22 VAL 38 39.710 5.223 27.141
262 HG23 VAL 38 HG23 VAL 38 39.072 4.543 28.639
263 H PHE 39 HN PHE 39 35.270 6.022 26.726
264 HA PHE 39 HA PHE 39 34.690 8.892 26.835
265 HB2 PHE 39 HB2 PHE 39 34.944 7.755 24.635
266 HB3 PHE 39 HB1 PHE 39 33.541 6.760 25.020
267 HD1 PHE 39 HD1 PHE 39 34.626 10.336 24.767
268 HD2 PHE 39 HD2 PHE 39 31.379 7.532 24.528
269 HE1 PHE 39 HE1 PHE 39 33.123 12.142 23.972
270 HE2 PHE 39 HE2 PHE 39 29.878 9.338 23.734
271 HZ PHE 39 HZ PHE 39 30.750 11.644 23.455
272 H LEU 40 HN LEU 40 32.683 5.942 26.675
273 HA LEU 40 HA LEU 40 30.367 7.156 27.734
274 HB2 LEU 40 HB2 LEU 40 29.554 4.849 28.056
275 HB3 LEU 40 HB1 LEU 40 30.294 5.056 26.468
276 HG LEU 40 HG LEU 40 32.447 4.332 28.037
277 HD11 LEU 40 HD11 LEU 40 30.165 2.506 28.809
278 HD12 LEU 40 HD12 LEU 40 30.692 3.834 29.842
279 HD13 LEU 40 HD13 LEU 40 31.807 2.524 29.450
280 HD21 LEU 40 HD21 LEU 40 31.943 3.486 25.791
281 HD22 LEU 40 HD22 LEU 40 30.570 2.576 26.422
282 HD23 LEU 40 HD23 LEU 40 32.211 2.131 26.890
283 H LEU 41 HN LEU 41 33.247 6.662 29.242
284 HA LEU 41 HA LEU 41 32.056 6.082 31.873
285 HB2 LEU 41 HB2 LEU 41 34.564 5.430 30.616
286 HB3 LEU 41 HB1 LEU 41 34.856 6.335 32.101
287 HG LEU 41 HG LEU 41 33.010 3.938 31.914
288 HD11 LEU 41 HD11 LEU 41 35.939 4.201 32.424
289 HD12 LEU 41 HD12 LEU 41 35.043 2.878 31.677
290 HD13 LEU 41 HD13 LEU 41 35.040 3.065 33.430
291 HD21 LEU 41 HD21 LEU 41 34.098 4.549 34.518
292 HD22 LEU 41 HD22 LEU 41 32.408 4.488 34.016
293 HD23 LEU 41 HD23 LEU 41 33.324 5.985 33.848
294 H GLY 42 HN GLY 42 32.660 8.692 30.002
295 HA2 GLY 42 HA2 GLY 42 33.035 10.429 32.358
296 HA3 GLY 42 HA1 GLY 42 34.014 10.685 30.917
297 H THR 43 HN THR 43 31.090 9.559 29.882
298 HA THR 43 HA THR 43 30.159 12.291 29.288
299 HB THR 43 HB THR 43 30.631 10.436 27.492
300 HG1 THR 43 HG1 THR 43 28.118 11.700 27.354
301 HG21 THR 43 HG21 THR 43 27.758 9.769 28.092
302 HG22 THR 43 HG22 THR 43 29.065 8.863 28.852
303 HG23 THR 43 HG23 THR 43 28.913 8.885 27.095
304 H THR 44 HN THR 44 29.403 9.472 31.094
305 HA THR 44 HA THR 44 26.900 10.721 31.983
306 HB THR 44 HB THR 44 26.041 8.196 31.976
307 HG1 THR 44 HG1 THR 44 26.849 7.071 30.285
308 HG21 THR 44 HG21 THR 44 26.043 10.142 29.657
309 HG22 THR 44 HG22 THR 44 24.826 9.988 30.925
310 HG23 THR 44 HG23 THR 44 25.015 8.711 29.723
311 H GLY 45 HN GLY 45 27.790 7.411 32.641
312 HA2 GLY 45 HA2 GLY 45 29.164 8.031 35.117
313 HA3 GLY 45 HA1 GLY 45 27.544 7.374 35.332
314 H ASN 46 HN ASN 46 27.146 5.360 33.862
315 HA ASN 46 HA ASN 46 27.604 3.125 33.578
316 HB2 ASN 46 HB2 ASN 46 29.784 4.636 32.380
317 HB3 ASN 46 HB1 ASN 46 30.301 3.034 32.905
318 HD21 ASN 46 HD21 ASN 46 27.658 4.627 31.040
319 HD22 ASN 46 HD22 ASN 46 27.423 3.320 29.983
320 H GLY 47 HN GLY 47 27.486 2.115 35.513
321 HA2 GLY 47 HA2 GLY 47 29.345 0.737 36.765
322 HA3 GLY 47 HA1 GLY 47 29.714 2.334 37.407
323 H LEU 48 HN LEU 48 27.072 3.328 37.583
324 HA LEU 48 HA LEU 48 25.617 1.468 39.309
325 HB2 LEU 48 HB2 LEU 48 27.323 3.543 40.335
326 HB3 LEU 48 HB1 LEU 48 25.644 3.913 40.727
327 HG LEU 48 HG LEU 48 26.950 1.223 41.224
328 HD11 LEU 48 HD11 LEU 48 26.597 3.665 42.954
329 HD12 LEU 48 HD12 LEU 48 28.027 2.653 42.751
330 HD13 LEU 48 HD13 LEU 48 26.649 2.055 43.674
331 HD21 LEU 48 HD21 LEU 48 24.245 2.069 41.131
332 HD22 LEU 48 HD22 LEU 48 24.644 1.858 42.835
333 HD23 LEU 48 HD23 LEU 48 24.863 0.522 41.707
334 H VAL 49 HN VAL 49 25.790 4.184 37.237
335 HA VAL 49 HA VAL 49 23.225 5.316 37.786
336 HB VAL 49 HB VAL 49 25.057 5.489 35.387
337 HG11 VAL 49 HG11 VAL 49 23.494 7.591 35.025
338 HG12 VAL 49 HG12 VAL 49 22.326 6.615 35.917
339 HG13 VAL 49 HG13 VAL 49 23.011 6.011 34.408
340 HG21 VAL 49 HG21 VAL 49 25.423 7.784 36.281
341 HG22 VAL 49 HG22 VAL 49 25.903 6.541 37.437
342 HG23 VAL 49 HG23 VAL 49 24.376 7.399 37.648
343 H LEU 50 HN LEU 50 24.245 2.482 36.195
344 HA LEU 50 HA LEU 50 21.828 2.311 34.547
345 HB2 LEU 50 HB2 LEU 50 22.993 -0.012 34.031
346 HB3 LEU 50 HB1 LEU 50 23.552 1.475 33.267
347 HG LEU 50 HG LEU 50 25.308 1.720 34.956
348 HD11 LEU 50 HD11 LEU 50 24.392 0.824 36.939
349 HD12 LEU 50 HD12 LEU 50 25.624 -0.354 36.489
350 HD13 LEU 50 HD13 LEU 50 23.926 -0.682 36.148
351 HD21 LEU 50 HD21 LEU 50 25.469 0.110 32.894
352 HD22 LEU 50 HD22 LEU 50 25.444 -1.164 34.113
353 HD23 LEU 50 HD23 LEU 50 26.725 0.048 34.131
354 H TRP 51 HN TRP 51 22.650 1.701 37.676
355 HA TRP 51 HA TRP 51 21.253 -0.829 37.980
356 HB2 TRP 51 HB2 TRP 51 22.607 -0.908 39.768
357 HB3 TRP 51 HB1 TRP 51 23.047 0.787 39.568
358 HD1 TRP 51 HD1 TRP 51 21.367 2.614 40.697
359 HE1 TRP 51 HE1 TRP 51 19.910 2.430 42.816
360 HE3 TRP 51 HE3 TRP 51 21.246 -2.461 41.247
361 HZ2 TRP 51 HZ2 TRP 51 18.834 0.399 44.519
362 HZ3 TRP 51 HZ3 TRP 51 19.999 -3.493 43.124
363 HH2 TRP 51 HH2 TRP 51 18.795 -2.071 44.759
364 H THR 52 HN THR 52 20.584 2.565 38.182
365 HA THR 52 HA THR 52 18.172 2.307 39.739
366 HB THR 52 HB THR 52 19.701 4.389 39.464
367 HG1 THR 52 HG1 THR 52 17.068 5.125 39.043
368 HG21 THR 52 HG21 THR 52 19.400 5.754 37.603
369 HG22 THR 52 HG22 THR 52 17.840 5.037 37.203
370 HG23 THR 52 HG23 THR 52 19.328 4.151 36.870
371 H VAL 53 HN VAL 53 19.036 1.859 36.460
372 HA VAL 53 HA VAL 53 16.411 2.408 35.366
373 HB VAL 53 HB VAL 53 18.846 1.072 34.161
374 HG11 VAL 53 HG11 VAL 53 16.119 1.764 33.094
375 HG12 VAL 53 HG12 VAL 53 17.072 0.301 32.840
376 HG13 VAL 53 HG13 VAL 53 17.518 1.798 32.020
377 HG21 VAL 53 HG21 VAL 53 17.725 3.885 34.098
378 HG22 VAL 53 HG22 VAL 53 18.886 3.303 32.904
379 HG23 VAL 53 HG23 VAL 53 19.333 3.371 34.609
380 H PHE 54 HN PHE 54 18.416 -0.533 35.681
381 HA PHE 54 HA PHE 54 16.699 -2.467 34.849
382 HB2 PHE 54 HB2 PHE 54 18.374 -3.722 35.642
383 HB3 PHE 54 HB1 PHE 54 18.974 -2.359 36.586
384 HD1 PHE 54 HD2 PHE 54 16.425 -5.092 36.620
385 HD2 PHE 54 HD1 PHE 54 18.771 -2.338 38.936
386 HE1 PHE 54 HE2 PHE 54 15.664 -6.196 38.705
387 HE2 PHE 54 HE1 PHE 54 18.009 -3.442 41.021
388 HZ PHE 54 HZ PHE 54 16.456 -5.372 40.906
389 H ARG 55 HN ARG 55 16.658 -0.890 38.030
390 HA ARG 55 HA ARG 55 14.540 -2.423 39.122
391 HB2 ARG 55 HB2 ARG 55 15.935 -1.158 40.607
392 HB3 ARG 55 HB1 ARG 55 15.569 0.346 39.763
393 HG2 ARG 55 HG2 ARG 55 13.520 0.566 40.756
394 HG3 ARG 55 HG1 ARG 55 13.230 -1.174 40.777
395 HD2 ARG 55 HD2 ARG 55 15.346 0.030 42.543
396 HD3 ARG 55 HD1 ARG 55 13.656 0.053 43.040
397 HE ARG 55 HE ARG 55 14.074 -2.551 42.346
398 HH11 ARG 55 HH21 ARG 55 15.694 -0.276 44.389
399 HH12 ARG 55 HH22 ARG 55 16.271 -1.474 45.499
400 HH21 ARG 55 HH11 ARG 55 14.827 -4.128 43.797
401 HH22 ARG 55 HH12 ARG 55 15.780 -3.655 45.164
402 H LYS 56 HN LYS 56 14.588 0.747 37.503
403 HA LYS 56 HA LYS 56 11.973 1.518 37.692
404 HB2 LYS 56 HB2 LYS 56 14.174 2.124 35.991
405 HB3 LYS 56 HB1 LYS 56 12.754 1.910 34.970
406 HG2 LYS 56 HG2 LYS 56 12.834 4.229 35.642
407 HG3 LYS 56 HG1 LYS 56 11.505 3.467 36.513
408 HD2 LYS 56 HD2 LYS 56 13.687 3.041 38.182
409 HD3 LYS 56 HD1 LYS 56 13.965 4.665 37.553
410 HE2 LYS 56 HE2 LYS 56 12.612 4.814 39.576
411 HE3 LYS 56 HE1 LYS 56 11.626 5.269 38.185
412 HZ1 LYS 56 HZ1 LYS 56 11.691 2.493 39.196
413 HZ2 LYS 56 HZ2 LYS 56 10.525 3.234 38.204
414 HZ3 LYS 56 HZ3 LYS 56 10.633 3.647 39.849
415 H LYS 57 HN LYS 57 13.301 -0.609 35.153
416 HA LYS 57 HA LYS 57 10.666 -1.263 34.165
417 HB2 LYS 57 HB2 LYS 57 13.351 -2.506 33.520
418 HB3 LYS 57 HB1 LYS 57 11.855 -2.733 32.613
419 HG2 LYS 57 HG2 LYS 57 12.153 -0.798 31.496
420 HG3 LYS 57 HG1 LYS 57 12.418 0.089 32.997
421 HD2 LYS 57 HD2 LYS 57 14.752 -0.498 33.029
422 HD3 LYS 57 HD1 LYS 57 14.539 -1.632 31.694
423 HE2 LYS 57 HE2 LYS 57 13.813 0.310 30.261
424 HE3 LYS 57 HE1 LYS 57 14.270 1.383 31.584
425 HZ1 LYS 57 HZ1 LYS 57 15.925 0.076 29.672
426 HZ2 LYS 57 HZ2 LYS 57 16.412 -0.293 31.258
427 HZ3 LYS 57 HZ3 LYS 57 16.310 1.326 30.751
428 H GLY 58 HN GLY 58 10.881 -1.854 36.895
429 HA2 GLY 58 HA2 GLY 58 11.572 -4.511 37.506
430 HA3 GLY 58 HA1 GLY 58 10.415 -3.530 38.402
431 H HIS 59 HN HIS 59 8.703 -3.120 36.047
432 HA HIS 59 HA HIS 59 6.970 -5.338 36.382
433 HB2 HIS 59 HB2 HIS 59 6.794 -2.779 35.269
434 HB3 HIS 59 HB1 HIS 59 6.496 -3.876 33.921
435 HD2 HIS 59 HD2 HIS 59 5.031 -3.380 37.597
436 HE1 HIS 59 HE1 HIS 59 2.081 -5.148 35.148
437 HE2 HIS 59 HE2 HIS 59 2.561 -4.219 37.462
438 H HIS 60 HN HIS 60 8.857 -4.292 33.534
439 HA HIS 60 HA HIS 60 9.437 -5.455 31.620
440 HB2 HIS 60 HB2 HIS 60 10.820 -6.385 33.756
441 HB3 HIS 60 HB1 HIS 60 10.060 -7.877 33.200
442 HD2 HIS 60 HD2 HIS 60 11.616 -9.078 31.275
443 HE1 HIS 60 HE1 HIS 60 13.403 -5.609 29.666
444 HE2 HIS 60 HE2 HIS 60 13.294 -8.140 29.508
445 H HIS 61 HN HIS 61 9.433 -8.247 31.147
446 HA HIS 61 HA HIS 61 8.019 -9.725 30.068
447 HB2 HIS 61 HB2 HIS 61 7.810 -10.040 32.721
448 HB3 HIS 61 HB1 HIS 61 6.139 -9.599 32.368
449 HD2 HIS 61 HD2 HIS 61 8.528 -12.010 30.268
450 HE1 HIS 61 HE1 HIS 61 4.925 -14.028 31.147
451 HE2 HIS 61 HE2 HIS 61 7.153 -14.205 29.938
452 H HIS 62 HN HIS 62 7.519 -7.045 29.332
453 HA HIS 62 HA HIS 62 4.958 -6.067 29.500
454 HB2 HIS 62 HB2 HIS 62 6.450 -6.135 26.881
455 HB3 HIS 62 HB1 HIS 62 5.376 -4.879 27.498
456 HD2 HIS 62 HD2 HIS 62 6.913 -4.754 30.543
457 HE1 HIS 62 HE1 HIS 62 10.205 -3.488 28.222
458 HE2 HIS 62 HE2 HIS 62 9.245 -3.580 30.572
459 H HIS 63 HN HIS 63 3.111 -6.220 28.087
460 HA HIS 63 HA HIS 63 2.154 -8.805 27.697
461 HB2 HIS 63 HB2 HIS 63 1.333 -6.218 26.360
462 HB3 HIS 63 HB1 HIS 63 0.418 -7.723 26.252
463 HD2 HIS 63 HD2 HIS 63 -1.385 -8.021 28.322
464 HE1 HIS 63 HE1 HIS 63 0.369 -5.313 31.044
465 HE2 HIS 63 HE2 HIS 63 -1.600 -6.869 30.655
466 H HIS 64 HN HIS 64 3.535 -10.141 26.564
467 HA HIS 64 HA HIS 64 3.273 -10.285 23.782
468 HB2 HIS 64 HB2 HIS 64 4.726 -8.705 23.096
469 HB3 HIS 64 HB1 HIS 64 5.411 -8.519 24.710
470 HD2 HIS 64 HD2 HIS 64 5.995 -10.749 21.501
471 HE1 HIS 64 HE1 HIS 64 9.273 -11.267 24.111
472 HE2 HIS 64 HE2 HIS 64 8.359 -11.815 21.807
Start of MODEL 30
1 H1 MET 1 HT1 MET 1 14.059 3.214 -13.766
2 H2 MET 1 HT2 MET 1 15.007 2.307 -14.845
3 H3 MET 1 HT3 MET 1 14.033 1.519 -13.697
4 HA MET 1 HA MET 1 13.032 1.419 -15.896
5 HB2 MET 1 HB2 MET 1 11.784 2.856 -13.599
6 HB3 MET 1 HB1 MET 1 10.907 2.866 -15.129
7 HG2 MET 1 HG2 MET 1 10.333 0.926 -13.613
8 HG3 MET 1 HG1 MET 1 10.886 0.457 -15.220
9 HE1 MET 1 HE1 MET 1 12.102 -2.018 -14.828
10 HE2 MET 1 HE2 MET 1 10.755 -1.641 -13.756
11 HE3 MET 1 HE3 MET 1 12.215 -2.375 -13.099
12 H GLU 2 HN GLU 2 11.906 4.598 -14.991
13 HA GLU 2 HA GLU 2 13.458 6.169 -16.737
14 HB2 GLU 2 HB2 GLU 2 11.516 6.505 -18.446
15 HB3 GLU 2 HB1 GLU 2 12.599 5.127 -18.640
16 HG2 GLU 2 HG2 GLU 2 11.007 3.600 -17.971
17 HG3 GLU 2 HG1 GLU 2 10.189 4.756 -16.920
18 H GLU 3 HN GLU 3 13.312 7.977 -15.570
19 HA GLU 3 HA GLU 3 12.435 9.790 -14.467
20 HB2 GLU 3 HB2 GLU 3 9.837 9.165 -15.871
21 HB3 GLU 3 HB1 GLU 3 10.429 10.735 -15.325
22 HG2 GLU 3 HG2 GLU 3 12.414 10.330 -16.928
23 HG3 GLU 3 HG1 GLU 3 11.410 9.065 -17.638
24 H GLY 4 HN GLY 4 12.469 9.052 -12.369
25 HA2 GLY 4 HA2 GLY 4 10.478 9.090 -10.664
26 HA3 GLY 4 HA1 GLY 4 10.175 7.509 -11.378
27 H GLY 5 HN GLY 5 12.935 6.806 -11.765
28 HA2 GLY 5 HA2 GLY 5 13.537 5.413 -9.471
29 HA3 GLY 5 HA1 GLY 5 14.748 5.910 -10.650
30 H ASP 6 HN ASP 6 14.973 5.725 -7.729
31 HA ASP 6 HA ASP 6 16.102 8.373 -7.275
32 HB2 ASP 6 HB2 ASP 6 14.545 9.119 -5.854
33 HB3 ASP 6 HB1 ASP 6 13.558 7.708 -6.233
34 H PHE 7 HN PHE 7 17.229 8.393 -5.060
35 HA PHE 7 HA PHE 7 19.064 7.530 -3.944
36 HB2 PHE 7 HB2 PHE 7 17.050 6.726 -2.657
37 HB3 PHE 7 HB1 PHE 7 17.189 5.195 -3.523
38 HD1 PHE 7 HD1 PHE 7 18.866 7.477 -1.135
39 HD2 PHE 7 HD2 PHE 7 18.946 3.623 -3.030
40 HE1 PHE 7 HE1 PHE 7 20.610 6.728 0.462
41 HE2 PHE 7 HE2 PHE 7 20.690 2.874 -1.434
42 HZ PHE 7 HZ PHE 7 21.522 4.426 0.312
43 H ASP 8 HN ASP 8 20.503 7.205 -5.673
44 HA ASP 8 HA ASP 8 20.933 4.370 -6.328
45 HB2 ASP 8 HB2 ASP 8 19.699 5.599 -8.197
46 HB3 ASP 8 HB1 ASP 8 21.178 6.531 -8.419
47 H ASN 9 HN ASN 9 22.322 5.697 -4.386
48 HA ASN 9 HA ASN 9 24.418 6.365 -3.710
49 HB2 ASN 9 HB2 ASN 9 24.659 4.010 -4.921
50 HB3 ASN 9 HB1 ASN 9 25.617 4.963 -6.052
51 HD21 ASN 9 HD21 ASN 9 27.758 4.456 -5.472
52 HD22 ASN 9 HD22 ASN 9 28.378 4.609 -3.900
53 H TYR 10 HN TYR 10 23.097 8.237 -5.351
54 HA TYR 10 HA TYR 10 24.612 9.221 -7.499
55 HB2 TYR 10 HB2 TYR 10 22.356 10.072 -5.948
56 HB3 TYR 10 HB1 TYR 10 23.465 11.430 -6.143
57 HD1 TYR 10 HD1 TYR 10 24.376 11.890 -8.521
58 HD2 TYR 10 HD2 TYR 10 20.953 9.421 -7.721
59 HE1 TYR 10 HE1 TYR 10 23.629 12.164 -10.870
60 HE2 TYR 10 HE2 TYR 10 20.206 9.695 -10.070
61 HH TYR 10 HH TYR 10 21.438 12.040 -12.127
62 H TYR 11 HN TYR 11 25.570 8.873 -4.357
63 HA TYR 11 HA TYR 11 26.899 11.255 -3.722
64 HB2 TYR 11 HB2 TYR 11 27.641 10.090 -1.939
65 HB3 TYR 11 HB1 TYR 11 26.628 8.779 -2.544
66 HD1 TYR 11 HD2 TYR 11 27.689 7.218 -4.346
67 HD2 TYR 11 HD1 TYR 11 29.958 9.775 -1.743
68 HE1 TYR 11 HE2 TYR 11 29.711 5.840 -4.752
69 HE2 TYR 11 HE1 TYR 11 31.979 8.396 -2.150
70 HH TYR 11 HH TYR 11 32.119 6.031 -4.634
71 H GLY 12 HN GLY 12 29.457 11.149 -3.485
72 HA2 GLY 12 HA2 GLY 12 30.900 9.956 -5.653
73 HA3 GLY 12 HA1 GLY 12 30.592 11.666 -5.940
74 H ALA 13 HN ALA 13 32.375 12.791 -5.495
75 HA ALA 13 HA ALA 13 34.247 13.574 -4.418
76 HB1 ALA 13 HB1 ALA 13 32.411 13.834 -2.628
77 HB2 ALA 13 HB2 ALA 13 34.089 13.860 -2.083
78 HB3 ALA 13 HB3 ALA 13 33.118 12.401 -1.883
79 H ASP 14 HN ASP 14 35.065 11.542 -5.707
80 HA ASP 14 HA ASP 14 36.005 9.366 -4.033
81 HB2 ASP 14 HB2 ASP 14 36.651 10.006 -6.921
82 HB3 ASP 14 HB1 ASP 14 36.972 8.485 -6.089
83 H ASN 15 HN ASN 15 37.122 11.095 -2.644
84 HA ASN 15 HA ASN 15 39.943 11.095 -3.377
85 HB2 ASN 15 HB2 ASN 15 38.342 13.620 -2.965
86 HB3 ASN 15 HB1 ASN 15 40.092 13.566 -2.757
87 HD21 ASN 15 HD21 ASN 15 37.518 12.929 -5.180
88 HD22 ASN 15 HD22 ASN 15 38.514 13.196 -6.527
89 H GLN 16 HN GLN 16 38.521 9.671 -1.403
90 HA GLN 16 HA GLN 16 38.906 11.031 1.136
91 HB2 GLN 16 HB2 GLN 16 38.244 8.713 2.026
92 HB3 GLN 16 HB1 GLN 16 37.026 9.602 1.112
93 HG2 GLN 16 HG2 GLN 16 38.836 7.877 -0.484
94 HG3 GLN 16 HG1 GLN 16 37.703 7.033 0.571
95 HE21 GLN 16 HE21 GLN 16 36.984 10.192 -0.893
96 HE22 GLN 16 HE22 GLN 16 35.760 9.622 -1.921
97 H SER 17 HN SER 17 41.304 11.165 0.124
98 HA SER 17 HA SER 17 42.973 8.882 0.464
99 HB2 SER 17 HB2 SER 17 43.335 11.753 -0.101
100 HB3 SER 17 HB1 SER 17 44.677 10.990 0.747
101 HG SER 17 HG SER 17 43.626 10.497 -1.797
102 H GLU 18 HN GLU 18 43.718 7.994 2.276
103 HA GLU 18 HA GLU 18 43.949 9.659 4.701
104 HB2 GLU 18 HB2 GLU 18 42.692 6.910 4.534
105 HB3 GLU 18 HB1 GLU 18 43.066 7.758 6.036
106 HG2 GLU 18 HG2 GLU 18 41.276 8.880 3.866
107 HG3 GLU 18 HG1 GLU 18 40.679 8.026 5.287
108 H CYS 19 HN CYS 19 44.941 7.914 6.462
109 HA CYS 19 HA CYS 19 47.630 7.703 5.895
110 HB2 CYS 19 HB2 CYS 19 47.366 5.656 7.629
111 HB3 CYS 19 HB1 CYS 19 47.295 7.347 8.125
112 HG CYS 19 HG CYS 19 44.578 6.132 7.326
113 H GLU 20 HN GLU 20 45.876 4.681 6.382
114 HA GLU 20 HA GLU 20 47.313 3.549 4.064
115 HB2 GLU 20 HB2 GLU 20 47.357 2.651 6.603
116 HB3 GLU 20 HB1 GLU 20 45.950 1.769 6.008
117 HG2 GLU 20 HG2 GLU 20 47.317 0.985 4.069
118 HG3 GLU 20 HG1 GLU 20 48.722 1.775 4.781
119 H TYR 21 HN TYR 21 44.501 4.955 4.550
120 HA TYR 21 HA TYR 21 42.304 4.643 3.877
121 HB2 TYR 21 HB2 TYR 21 42.221 4.126 1.433
122 HB3 TYR 21 HB1 TYR 21 43.388 5.378 1.858
123 HD1 TYR 21 HD1 TYR 21 45.793 4.951 1.785
124 HD2 TYR 21 HD2 TYR 21 42.961 1.900 0.729
125 HE1 TYR 21 HE1 TYR 21 47.615 3.612 0.769
126 HE2 TYR 21 HE2 TYR 21 44.783 0.560 -0.287
127 HH TYR 21 HH TYR 21 47.951 1.860 -0.802
128 H THR 22 HN THR 22 43.529 2.309 5.254
129 HA THR 22 HA THR 22 41.715 0.233 4.185
130 HB THR 22 HB THR 22 44.580 0.009 5.059
131 HG1 THR 22 HG1 THR 22 43.428 -1.570 3.108
132 HG21 THR 22 HG21 THR 22 44.046 -2.539 5.015
133 HG22 THR 22 HG22 THR 22 42.385 -2.035 5.328
134 HG23 THR 22 HG23 THR 22 43.662 -1.625 6.474
135 H ASP 23 HN ASP 23 43.265 1.725 6.962
136 HA ASP 23 HA ASP 23 41.489 0.207 8.767
137 HB2 ASP 23 HB2 ASP 23 43.031 0.593 10.504
138 HB3 ASP 23 HB1 ASP 23 44.033 0.225 9.102
139 H TRP 24 HN TRP 24 40.871 2.646 7.077
140 HA TRP 24 HA TRP 24 40.635 4.927 8.699
141 HB2 TRP 24 HB2 TRP 24 38.554 5.297 7.082
142 HB3 TRP 24 HB1 TRP 24 40.212 5.458 6.508
143 HD1 TRP 24 HD1 TRP 24 38.694 2.036 7.234
144 HE1 TRP 24 HE1 TRP 24 38.491 0.730 5.022
145 HE3 TRP 24 HE3 TRP 24 39.962 5.709 3.921
146 HZ2 TRP 24 HZ2 TRP 24 38.822 1.182 2.217
147 HZ3 TRP 24 HZ3 TRP 24 40.011 5.244 1.488
148 HH2 TRP 24 HH2 TRP 24 39.444 2.989 0.632
149 H LYS 25 HN LYS 25 39.313 1.972 9.270
150 HA LYS 25 HA LYS 25 37.600 2.913 11.324
151 HB2 LYS 25 HB2 LYS 25 35.448 2.090 10.390
152 HB3 LYS 25 HB1 LYS 25 36.081 3.498 9.542
153 HG2 LYS 25 HG2 LYS 25 36.358 2.348 7.608
154 HG3 LYS 25 HG1 LYS 25 37.027 0.942 8.436
155 HD2 LYS 25 HD2 LYS 25 34.866 0.103 8.978
156 HD3 LYS 25 HD1 LYS 25 34.088 1.622 8.535
157 HE2 LYS 25 HE2 LYS 25 34.098 1.127 6.311
158 HE3 LYS 25 HE1 LYS 25 35.694 0.382 6.386
159 HZ1 LYS 25 HZ1 LYS 25 33.892 -1.187 7.854
160 HZ2 LYS 25 HZ2 LYS 25 34.743 -1.598 6.443
161 HZ3 LYS 25 HZ3 LYS 25 33.207 -0.882 6.334
162 H SER 26 HN SER 26 39.710 1.061 11.101
163 HA SER 26 HA SER 26 38.386 -1.299 12.193
164 HB2 SER 26 HB2 SER 26 38.630 -1.801 9.781
165 HB3 SER 26 HB1 SER 26 40.362 -1.508 9.909
166 HG SER 26 HG SER 26 38.842 -3.656 10.737
167 H SER 27 HN SER 27 41.688 -0.883 10.978
168 HA SER 27 HA SER 27 43.720 -1.036 12.044
169 HB2 SER 27 HB2 SER 27 42.470 0.267 14.442
170 HB3 SER 27 HB1 SER 27 44.075 0.506 13.757
171 HG SER 27 HG SER 27 43.236 2.065 12.643
172 H GLY 28 HN GLY 28 42.001 -3.291 12.304
173 HA2 GLY 28 HA2 GLY 28 42.097 -5.325 13.399
174 HA3 GLY 28 HA1 GLY 28 43.292 -4.628 14.490
175 H ALA 29 HN ALA 29 40.660 -2.597 14.385
176 HA ALA 29 HA ALA 29 39.194 -1.999 16.072
177 HB1 ALA 29 HB1 ALA 29 38.406 -4.909 16.003
178 HB2 ALA 29 HB2 ALA 29 38.039 -3.811 14.671
179 HB3 ALA 29 HB3 ALA 29 37.379 -3.501 16.277
180 H LEU 30 HN LEU 30 41.489 -2.136 17.307
181 HA LEU 30 HA LEU 30 40.928 -3.647 19.784
182 HB2 LEU 30 HB2 LEU 30 43.502 -3.462 18.233
183 HB3 LEU 30 HB1 LEU 30 43.504 -3.787 19.967
184 HG LEU 30 HG LEU 30 41.615 -5.400 18.338
185 HD11 LEU 30 HD11 LEU 30 43.475 -6.983 17.733
186 HD12 LEU 30 HD12 LEU 30 44.626 -5.738 18.217
187 HD13 LEU 30 HD13 LEU 30 43.538 -5.452 16.859
188 HD21 LEU 30 HD21 LEU 30 42.095 -7.045 19.975
189 HD22 LEU 30 HD22 LEU 30 42.133 -5.527 20.871
190 HD23 LEU 30 HD23 LEU 30 43.640 -6.304 20.388
191 H ILE 31 HN ILE 31 42.163 -0.792 18.212
192 HA ILE 31 HA ILE 31 42.971 0.435 20.714
193 HB ILE 31 HB ILE 31 43.413 0.919 17.886
194 HG12 ILE 31 HG12 ILE 31 45.097 0.454 19.699
195 HG13 ILE 31 HG11 ILE 31 45.470 1.857 18.702
196 HG21 ILE 31 HG21 ILE 31 43.577 3.409 18.074
197 HG22 ILE 31 HG22 ILE 31 42.705 3.328 19.600
198 HG23 ILE 31 HG23 ILE 31 41.917 2.823 18.103
199 HD11 ILE 31 HD11 ILE 31 43.824 2.562 21.019
200 HD12 ILE 31 HD12 ILE 31 45.344 3.260 20.469
201 HD13 ILE 31 HD13 ILE 31 45.352 1.818 21.482
202 HA PRO 32 HA PRO 32 39.041 3.068 19.433
203 HB2 PRO 32 HB2 PRO 32 37.349 0.880 18.370
204 HB3 PRO 32 HB1 PRO 32 37.566 2.531 17.765
205 HG2 PRO 32 HG2 PRO 32 38.600 0.412 16.505
206 HG3 PRO 32 HG1 PRO 32 39.416 1.985 16.537
207 HD2 PRO 32 HD2 PRO 32 40.045 -0.497 18.091
208 HD3 PRO 32 HD1 PRO 32 41.147 0.722 17.417
209 H ALA 33 HN ALA 33 38.453 -0.381 20.149
210 HA ALA 33 HA ALA 33 36.359 -0.086 21.959
211 HB1 ALA 33 HB1 ALA 33 36.686 -2.300 21.464
212 HB2 ALA 33 HB2 ALA 33 37.563 -2.239 22.993
213 HB3 ALA 33 HB3 ALA 33 38.443 -2.153 21.468
214 H ILE 34 HN ILE 34 39.644 0.809 22.278
215 HA ILE 34 HA ILE 34 39.467 0.918 25.213
216 HB ILE 34 HB ILE 34 41.761 1.156 23.270
217 HG12 ILE 34 HG12 ILE 34 41.431 -0.611 25.704
218 HG13 ILE 34 HG11 ILE 34 40.842 -1.088 24.111
219 HG21 ILE 34 HG21 ILE 34 42.314 2.835 24.828
220 HG22 ILE 34 HG22 ILE 34 43.099 1.401 25.487
221 HG23 ILE 34 HG23 ILE 34 41.572 1.962 26.169
222 HD11 ILE 34 HD11 ILE 34 43.035 -1.056 23.179
223 HD12 ILE 34 HD12 ILE 34 43.196 -1.886 24.726
224 HD13 ILE 34 HD13 ILE 34 43.695 -0.201 24.574
225 H TYR 35 HN TYR 35 39.301 2.878 22.390
226 HA TYR 35 HA TYR 35 39.963 5.364 23.716
227 HB2 TYR 35 HB2 TYR 35 39.894 4.545 21.084
228 HB3 TYR 35 HB1 TYR 35 38.452 5.554 21.215
229 HD1 TYR 35 HD2 TYR 35 38.844 7.782 22.680
230 HD2 TYR 35 HD1 TYR 35 41.893 5.627 20.554
231 HE1 TYR 35 HE2 TYR 35 40.254 9.821 22.634
232 HE2 TYR 35 HE1 TYR 35 43.302 7.667 20.508
233 HH TYR 35 HH TYR 35 43.508 9.790 21.917
234 H MET 36 HN MET 36 37.011 3.790 22.510
235 HA MET 36 HA MET 36 35.272 5.875 23.430
236 HB2 MET 36 HB2 MET 36 34.741 3.029 22.558
237 HB3 MET 36 HB1 MET 36 33.475 4.193 22.948
238 HG2 MET 36 HG2 MET 36 34.308 5.709 21.202
239 HG3 MET 36 HG1 MET 36 35.604 4.577 20.821
240 HE1 MET 36 HE1 MET 36 35.355 2.309 20.323
241 HE2 MET 36 HE2 MET 36 34.170 1.646 19.200
242 HE3 MET 36 HE3 MET 36 33.865 1.576 20.934
243 H LEU 37 HN LEU 37 36.756 3.118 24.872
244 HA LEU 37 HA LEU 37 34.868 2.754 27.001
245 HB2 LEU 37 HB2 LEU 37 37.466 1.640 26.194
246 HB3 LEU 37 HB1 LEU 37 37.252 1.742 27.940
247 HG LEU 37 HG LEU 37 36.441 -0.421 26.937
248 HD11 LEU 37 HD11 LEU 37 33.892 0.476 27.878
249 HD12 LEU 37 HD12 LEU 37 35.141 1.298 28.813
250 HD13 LEU 37 HD13 LEU 37 35.107 -0.464 28.744
251 HD21 LEU 37 HD21 LEU 37 34.903 -0.477 25.261
252 HD22 LEU 37 HD22 LEU 37 35.406 1.188 24.972
253 HD23 LEU 37 HD23 LEU 37 33.973 0.857 25.944
254 H VAL 38 HN VAL 38 36.286 5.443 26.369
255 HA VAL 38 HA VAL 38 36.892 6.079 29.188
256 HB VAL 38 HB VAL 38 38.390 7.245 26.835
257 HG11 VAL 38 HG11 VAL 38 39.665 7.236 29.451
258 HG12 VAL 38 HG12 VAL 38 38.108 8.061 29.499
259 HG13 VAL 38 HG13 VAL 38 39.352 8.592 28.369
260 HG21 VAL 38 HG21 VAL 38 39.225 5.039 28.746
261 HG22 VAL 38 HG22 VAL 38 40.253 5.778 27.518
262 HG23 VAL 38 HG23 VAL 38 38.852 4.822 27.037
263 H PHE 39 HN PHE 39 35.565 6.979 26.107
264 HA PHE 39 HA PHE 39 34.959 9.702 26.802
265 HB2 PHE 39 HB2 PHE 39 34.415 7.878 24.525
266 HB3 PHE 39 HB1 PHE 39 33.269 9.196 24.769
267 HD1 PHE 39 HD1 PHE 39 34.391 11.551 25.306
268 HD2 PHE 39 HD2 PHE 39 36.333 8.311 23.258
269 HE1 PHE 39 HE1 PHE 39 35.999 13.149 24.300
270 HE2 PHE 39 HE2 PHE 39 37.940 9.909 22.254
271 HZ PHE 39 HZ PHE 39 37.773 12.328 22.775
272 H LEU 40 HN LEU 40 32.746 7.014 26.029
273 HA LEU 40 HA LEU 40 30.474 8.151 27.201
274 HB2 LEU 40 HB2 LEU 40 29.525 5.893 27.138
275 HB3 LEU 40 HB1 LEU 40 30.400 6.239 25.646
276 HG LEU 40 HG LEU 40 32.368 5.186 27.283
277 HD11 LEU 40 HD11 LEU 40 31.492 3.233 28.349
278 HD12 LEU 40 HD12 LEU 40 29.911 3.448 27.597
279 HD13 LEU 40 HD13 LEU 40 30.449 4.563 28.852
280 HD21 LEU 40 HD21 LEU 40 32.130 3.180 25.824
281 HD22 LEU 40 HD22 LEU 40 32.036 4.682 24.905
282 HD23 LEU 40 HD23 LEU 40 30.566 3.784 25.282
283 H LEU 41 HN LEU 41 33.262 7.187 28.712
284 HA LEU 41 HA LEU 41 32.093 6.101 31.122
285 HB2 LEU 41 HB2 LEU 41 34.212 5.231 30.809
286 HB3 LEU 41 HB1 LEU 41 34.840 6.723 30.122
287 HG LEU 41 HG LEU 41 34.954 7.753 32.327
288 HD11 LEU 41 HD11 LEU 41 33.311 7.053 33.759
289 HD12 LEU 41 HD12 LEU 41 34.489 5.823 34.208
290 HD13 LEU 41 HD13 LEU 41 33.231 5.448 33.033
291 HD21 LEU 41 HD21 LEU 41 36.508 5.637 31.460
292 HD22 LEU 41 HD22 LEU 41 36.081 5.163 33.105
293 HD23 LEU 41 HD23 LEU 41 36.893 6.701 32.813
294 H GLY 42 HN GLY 42 33.964 9.045 30.365
295 HA2 GLY 42 HA2 GLY 42 33.708 10.414 32.732
296 HA3 GLY 42 HA1 GLY 42 33.758 11.203 31.158
297 H THR 43 HN THR 43 31.292 10.007 30.193
298 HA THR 43 HA THR 43 29.168 10.692 32.003
299 HB THR 43 HB THR 43 29.948 12.953 31.365
300 HG1 THR 43 HG1 THR 43 27.926 13.669 30.821
301 HG21 THR 43 HG21 THR 43 30.367 11.776 28.879
302 HG22 THR 43 HG22 THR 43 30.468 13.500 29.239
303 HG23 THR 43 HG23 THR 43 28.965 12.815 28.621
304 H THR 44 HN THR 44 27.714 11.655 29.433
305 HA THR 44 HA THR 44 26.373 10.724 27.819
306 HB THR 44 HB THR 44 28.179 8.340 27.641
307 HG1 THR 44 HG1 THR 44 29.285 10.521 27.870
308 HG21 THR 44 HG21 THR 44 26.983 10.107 25.499
309 HG22 THR 44 HG22 THR 44 26.129 8.726 26.187
310 HG23 THR 44 HG23 THR 44 27.642 8.481 25.313
311 H GLY 45 HN GLY 45 27.691 7.815 29.415
312 HA2 GLY 45 HA2 GLY 45 24.922 6.933 29.916
313 HA3 GLY 45 HA1 GLY 45 26.331 5.880 29.837
314 H ASN 46 HN ASN 46 26.293 8.925 31.582
315 HA ASN 46 HA ASN 46 25.884 7.605 34.150
316 HB2 ASN 46 HB2 ASN 46 28.493 8.951 33.419
317 HB3 ASN 46 HB1 ASN 46 28.030 8.488 35.055
318 HD21 ASN 46 HD21 ASN 46 28.870 7.186 31.848
319 HD22 ASN 46 HD22 ASN 46 29.187 5.609 32.392
320 H GLY 47 HN GLY 47 24.494 8.895 35.158
321 HA2 GLY 47 HA2 GLY 47 23.826 10.848 36.270
322 HA3 GLY 47 HA1 GLY 47 25.045 11.749 35.374
323 H LEU 48 HN LEU 48 24.070 10.453 32.830
324 HA LEU 48 HA LEU 48 21.819 12.299 32.385
325 HB2 LEU 48 HB2 LEU 48 24.097 11.373 30.779
326 HB3 LEU 48 HB1 LEU 48 22.566 11.353 29.905
327 HG LEU 48 HG LEU 48 23.810 13.534 29.728
328 HD11 LEU 48 HD11 LEU 48 21.761 14.383 29.370
329 HD12 LEU 48 HD12 LEU 48 21.528 14.576 31.106
330 HD13 LEU 48 HD13 LEU 48 21.051 13.075 30.314
331 HD21 LEU 48 HD21 LEU 48 24.459 14.710 31.564
332 HD22 LEU 48 HD22 LEU 48 24.279 13.173 32.410
333 HD23 LEU 48 HD23 LEU 48 22.968 14.352 32.434
334 H VAL 49 HN VAL 49 22.583 8.988 32.690
335 HA VAL 49 HA VAL 49 20.485 7.944 31.026
336 HB VAL 49 HB VAL 49 22.334 6.792 33.093
337 HG11 VAL 49 HG11 VAL 49 19.806 5.595 31.971
338 HG12 VAL 49 HG12 VAL 49 20.402 5.563 33.632
339 HG13 VAL 49 HG13 VAL 49 21.171 4.564 32.398
340 HG21 VAL 49 HG21 VAL 49 22.656 7.215 30.455
341 HG22 VAL 49 HG22 VAL 49 21.854 5.646 30.382
342 HG23 VAL 49 HG23 VAL 49 23.364 5.822 31.275
343 H LEU 50 HN LEU 50 20.863 8.655 34.472
344 HA LEU 50 HA LEU 50 18.249 7.639 35.156
345 HB2 LEU 50 HB2 LEU 50 18.844 9.007 37.330
346 HB3 LEU 50 HB1 LEU 50 19.674 7.492 36.975
347 HG LEU 50 HG LEU 50 20.839 9.983 35.822
348 HD11 LEU 50 HD11 LEU 50 20.855 9.262 38.759
349 HD12 LEU 50 HD12 LEU 50 20.444 10.811 38.023
350 HD13 LEU 50 HD13 LEU 50 22.117 10.252 38.026
351 HD21 LEU 50 HD21 LEU 50 21.636 7.471 35.690
352 HD22 LEU 50 HD22 LEU 50 22.283 7.798 37.297
353 HD23 LEU 50 HD23 LEU 50 22.825 8.754 35.918
354 H TRP 51 HN TRP 51 19.330 10.396 33.621
355 HA TRP 51 HA TRP 51 17.511 12.311 34.767
356 HB2 TRP 51 HB2 TRP 51 19.206 13.482 33.789
357 HB3 TRP 51 HB1 TRP 51 19.482 12.253 32.555
358 HD1 TRP 51 HD1 TRP 51 17.865 12.267 30.414
359 HE1 TRP 51 HE1 TRP 51 16.492 14.168 29.341
360 HE3 TRP 51 HE3 TRP 51 17.864 15.631 34.256
361 HZ2 TRP 51 HZ2 TRP 51 15.523 16.771 30.023
362 HZ3 TRP 51 HZ3 TRP 51 16.710 17.811 34.018
363 HH2 TRP 51 HH2 TRP 51 15.541 18.385 31.908
364 H THR 52 HN THR 52 17.613 10.419 31.752
365 HA THR 52 HA THR 52 15.292 11.344 30.549
366 HB THR 52 HB THR 52 17.064 9.586 29.754
367 HG1 THR 52 HG1 THR 52 15.685 9.949 28.211
368 HG21 THR 52 HG21 THR 52 16.250 8.044 31.690
369 HG22 THR 52 HG22 THR 52 16.560 7.324 30.111
370 HG23 THR 52 HG23 THR 52 14.905 7.673 30.611
371 H VAL 53 HN VAL 53 15.679 9.301 33.329
372 HA VAL 53 HA VAL 53 13.093 8.118 33.344
373 HB VAL 53 HB VAL 53 15.010 8.688 35.619
374 HG11 VAL 53 HG11 VAL 53 12.856 8.329 36.584
375 HG12 VAL 53 HG12 VAL 53 13.684 6.775 36.680
376 HG13 VAL 53 HG13 VAL 53 12.472 7.052 35.428
377 HG21 VAL 53 HG21 VAL 53 14.493 6.208 33.946
378 HG22 VAL 53 HG22 VAL 53 15.582 6.291 35.330
379 HG23 VAL 53 HG23 VAL 53 15.936 7.219 33.873
380 H PHE 54 HN PHE 54 14.079 10.194 36.004
381 HA PHE 54 HA PHE 54 11.646 11.145 36.747
382 HB2 PHE 54 HB2 PHE 54 13.066 12.088 38.212
383 HB3 PHE 54 HB1 PHE 54 14.397 12.049 37.054
384 HD1 PHE 54 HD1 PHE 54 11.340 13.949 38.029
385 HD2 PHE 54 HD2 PHE 54 15.055 13.998 35.872
386 HE1 PHE 54 HE1 PHE 54 11.090 16.388 37.656
387 HE2 PHE 54 HE2 PHE 54 14.804 16.437 35.499
388 HZ PHE 54 HZ PHE 54 12.822 17.632 36.390
389 H ARG 55 HN ARG 55 13.350 11.935 33.855
390 HA ARG 55 HA ARG 55 11.943 14.386 33.309
391 HB2 ARG 55 HB2 ARG 55 14.218 13.859 32.406
392 HB3 ARG 55 HB1 ARG 55 13.488 12.602 31.412
393 HG2 ARG 55 HG2 ARG 55 13.735 14.625 30.079
394 HG3 ARG 55 HG1 ARG 55 12.023 14.322 30.360
395 HD2 ARG 55 HD2 ARG 55 13.422 16.034 32.357
396 HD3 ARG 55 HD1 ARG 55 13.151 16.733 30.764
397 HE ARG 55 HE ARG 55 10.715 15.706 31.396
398 HH11 ARG 55 HH21 ARG 55 12.993 17.724 33.044
399 HH12 ARG 55 HH22 ARG 55 11.788 18.594 33.934
400 HH21 ARG 55 HH11 ARG 55 9.129 16.842 32.559
401 HH22 ARG 55 HH12 ARG 55 9.601 18.094 33.660
402 H LYS 56 HN LYS 56 12.028 11.417 31.346
403 HA LYS 56 HA LYS 56 9.629 11.876 30.000
404 HB2 LYS 56 HB2 LYS 56 9.789 9.656 29.214
405 HB3 LYS 56 HB1 LYS 56 11.459 10.141 29.505
406 HG2 LYS 56 HG2 LYS 56 11.126 9.139 31.870
407 HG3 LYS 56 HG1 LYS 56 9.709 8.346 31.181
408 HD2 LYS 56 HD2 LYS 56 11.267 7.516 29.321
409 HD3 LYS 56 HD1 LYS 56 12.600 8.034 30.354
410 HE2 LYS 56 HE2 LYS 56 12.110 5.656 30.730
411 HE3 LYS 56 HE1 LYS 56 11.732 6.594 32.175
412 HZ1 LYS 56 HZ1 LYS 56 9.611 6.203 30.199
413 HZ2 LYS 56 HZ2 LYS 56 9.509 6.324 31.890
414 HZ3 LYS 56 HZ3 LYS 56 10.037 4.879 31.170
415 H LYS 57 HN LYS 57 10.190 10.746 33.215
416 HA LYS 57 HA LYS 57 7.689 9.410 33.595
417 HB2 LYS 57 HB2 LYS 57 9.591 10.627 35.614
418 HB3 LYS 57 HB1 LYS 57 8.249 9.547 35.995
419 HG2 LYS 57 HG2 LYS 57 10.116 8.573 33.910
420 HG3 LYS 57 HG1 LYS 57 10.783 8.678 35.538
421 HD2 LYS 57 HD2 LYS 57 8.097 7.399 35.069
422 HD3 LYS 57 HD1 LYS 57 9.583 6.477 34.834
423 HE2 LYS 57 HE2 LYS 57 10.056 6.416 37.068
424 HE3 LYS 57 HE1 LYS 57 9.434 8.042 37.348
425 HZ1 LYS 57 HZ1 LYS 57 7.185 6.817 36.756
426 HZ2 LYS 57 HZ2 LYS 57 7.798 6.861 38.339
427 HZ3 LYS 57 HZ3 LYS 57 8.032 5.484 37.372
428 H GLY 58 HN GLY 58 7.225 11.858 32.315
429 HA2 GLY 58 HA2 GLY 58 5.365 13.063 34.209
430 HA3 GLY 58 HA1 GLY 58 6.612 14.135 33.577
431 H HIS 59 HN HIS 59 4.369 11.663 32.296
432 HA HIS 59 HA HIS 59 3.962 13.340 29.914
433 HB2 HIS 59 HB2 HIS 59 3.662 10.437 30.528
434 HB3 HIS 59 HB1 HIS 59 2.606 11.134 29.298
435 HD2 HIS 59 HD2 HIS 59 6.377 12.256 29.711
436 HE1 HIS 59 HE1 HIS 59 5.934 10.366 25.962
437 HE2 HIS 59 HE2 HIS 59 7.539 11.651 27.453
438 H HIS 60 HN HIS 60 1.901 11.250 31.950
439 HA HIS 60 HA HIS 60 -0.352 11.418 32.442
440 HB2 HIS 60 HB2 HIS 60 0.936 13.139 33.922
441 HB3 HIS 60 HB1 HIS 60 0.151 14.342 32.900
442 HD2 HIS 60 HD2 HIS 60 -1.915 15.164 34.583
443 HE1 HIS 60 HE1 HIS 60 -3.475 11.337 35.444
444 HE2 HIS 60 HE2 HIS 60 -3.838 13.833 35.743
445 H HIS 61 HN HIS 61 -2.215 13.392 32.213
446 HA HIS 61 HA HIS 61 -2.197 14.278 29.414
447 HB2 HIS 61 HB2 HIS 61 -4.112 12.324 30.643
448 HB3 HIS 61 HB1 HIS 61 -4.675 13.423 29.385
449 HD2 HIS 61 HD2 HIS 61 -1.755 10.730 29.743
450 HE1 HIS 61 HE1 HIS 61 -2.849 11.070 25.678
451 HE2 HIS 61 HE2 HIS 61 -1.366 9.826 27.323
452 H HIS 62 HN HIS 62 -4.114 15.711 28.963
453 HA HIS 62 HA HIS 62 -4.201 17.852 30.758
454 HB2 HIS 62 HB2 HIS 62 -5.405 17.161 28.231
455 HB3 HIS 62 HB1 HIS 62 -6.597 17.931 29.278
456 HD2 HIS 62 HD2 HIS 62 -3.394 18.878 27.284
457 HE1 HIS 62 HE1 HIS 62 -4.608 22.313 29.418
458 HE2 HIS 62 HE2 HIS 62 -3.029 21.440 27.630
459 H HIS 63 HN HIS 63 -6.336 18.731 31.670
460 HA HIS 63 HA HIS 63 -7.199 17.098 33.766
461 HB2 HIS 63 HB2 HIS 63 -8.683 18.823 34.326
462 HB3 HIS 63 HB1 HIS 63 -7.403 19.666 33.453
463 HD2 HIS 63 HD2 HIS 63 -8.368 19.118 30.366
464 HE1 HIS 63 HE1 HIS 63 -12.074 20.733 31.585
465 HE2 HIS 63 HE2 HIS 63 -10.631 20.155 29.577
466 H HIS 64 HN HIS 64 -9.556 16.518 34.154
467 HA HIS 64 HA HIS 64 -10.381 14.467 32.523
468 HB2 HIS 64 HB2 HIS 64 -11.387 14.649 34.663
469 HB3 HIS 64 HB1 HIS 64 -11.968 16.282 34.337
470 HD2 HIS 64 HD2 HIS 64 -14.599 16.284 33.519
471 HE1 HIS 64 HE1 HIS 64 -14.776 12.344 32.016
472 HE2 HIS 64 HE2 HIS 64 -16.120 14.456 32.441
Start of MODEL 31
1 H1 MET 1 HT1 MET 1 25.687 -48.554 -4.307
2 H2 MET 1 HT2 MET 1 27.067 -48.829 -5.259
3 H3 MET 1 HT3 MET 1 25.718 -49.851 -5.399
4 HA MET 1 HA MET 1 25.291 -48.572 -7.191
5 HB2 MET 1 HB2 MET 1 24.351 -46.702 -4.998
6 HB3 MET 1 HB1 MET 1 23.687 -46.842 -6.626
7 HG2 MET 1 HG2 MET 1 22.289 -48.439 -5.885
8 HG3 MET 1 HG1 MET 1 23.683 -49.453 -5.518
9 HE1 MET 1 HE1 MET 1 20.714 -49.279 -3.421
10 HE2 MET 1 HE2 MET 1 21.892 -50.174 -2.466
11 HE3 MET 1 HE3 MET 1 21.864 -50.363 -4.217
12 H GLU 2 HN GLU 2 25.018 -45.737 -7.373
13 HA GLU 2 HA GLU 2 27.579 -44.537 -6.753
14 HB2 GLU 2 HB2 GLU 2 27.864 -44.008 -9.299
15 HB3 GLU 2 HB1 GLU 2 28.424 -45.558 -8.669
16 HG2 GLU 2 HG2 GLU 2 25.600 -45.318 -9.649
17 HG3 GLU 2 HG1 GLU 2 26.905 -45.486 -10.823
18 H GLU 3 HN GLU 3 26.391 -42.925 -5.738
19 HA GLU 3 HA GLU 3 24.411 -41.440 -7.302
20 HB2 GLU 3 HB2 GLU 3 25.260 -41.361 -4.408
21 HB3 GLU 3 HB1 GLU 3 24.182 -40.155 -5.108
22 HG2 GLU 3 HG2 GLU 3 22.907 -41.991 -4.053
23 HG3 GLU 3 HG1 GLU 3 22.619 -41.925 -5.790
24 H GLY 4 HN GLY 4 27.015 -41.261 -8.306
25 HA2 GLY 4 HA2 GLY 4 27.471 -38.762 -9.038
26 HA3 GLY 4 HA1 GLY 4 28.096 -38.698 -7.393
27 H GLY 5 HN GLY 5 29.540 -40.778 -6.928
28 HA2 GLY 5 HA2 GLY 5 31.626 -41.690 -7.277
29 HA3 GLY 5 HA1 GLY 5 31.023 -42.050 -8.892
30 H ASP 6 HN ASP 6 33.196 -41.682 -9.661
31 HA ASP 6 HA ASP 6 34.949 -40.410 -10.464
32 HB2 ASP 6 HB2 ASP 6 34.221 -39.049 -12.132
33 HB3 ASP 6 HB1 ASP 6 32.644 -39.713 -11.704
34 H PHE 7 HN PHE 7 35.529 -37.777 -10.589
35 HA PHE 7 HA PHE 7 36.529 -37.160 -8.061
36 HB2 PHE 7 HB2 PHE 7 35.882 -34.934 -9.944
37 HB3 PHE 7 HB1 PHE 7 37.354 -35.232 -9.019
38 HD1 PHE 7 HD2 PHE 7 38.009 -38.003 -9.678
39 HD2 PHE 7 HD1 PHE 7 36.521 -34.865 -12.205
40 HE1 PHE 7 HE2 PHE 7 39.030 -39.108 -11.650
41 HE2 PHE 7 HE1 PHE 7 37.541 -35.970 -14.178
42 HZ PHE 7 HZ PHE 7 38.795 -38.092 -13.900
43 H ASP 8 HN ASP 8 35.996 -34.857 -7.070
44 HA ASP 8 HA ASP 8 33.082 -34.510 -6.847
45 HB2 ASP 8 HB2 ASP 8 34.193 -35.998 -4.989
46 HB3 ASP 8 HB1 ASP 8 34.750 -34.450 -4.359
47 H ASN 9 HN ASN 9 34.567 -32.828 -8.327
48 HA ASN 9 HA ASN 9 35.274 -30.652 -8.580
49 HB2 ASN 9 HB2 ASN 9 32.807 -30.571 -7.660
50 HB3 ASN 9 HB1 ASN 9 33.585 -29.899 -6.228
51 HD21 ASN 9 HD21 ASN 9 33.762 -27.661 -6.287
52 HD22 ASN 9 HD22 ASN 9 33.875 -26.728 -7.700
53 H TYR 10 HN TYR 10 36.987 -32.227 -6.997
54 HA TYR 10 HA TYR 10 37.766 -31.334 -4.528
55 HB2 TYR 10 HB2 TYR 10 39.191 -32.485 -6.858
56 HB3 TYR 10 HB1 TYR 10 40.196 -31.687 -5.649
57 HD1 TYR 10 HD1 TYR 10 37.542 -34.271 -6.088
58 HD2 TYR 10 HD2 TYR 10 40.651 -32.717 -3.564
59 HE1 TYR 10 HE1 TYR 10 37.320 -36.243 -4.600
60 HE2 TYR 10 HE2 TYR 10 40.429 -34.690 -2.077
61 HH TYR 10 HH TYR 10 37.921 -36.598 -1.918
62 H TYR 11 HN TYR 11 39.882 -30.306 -7.133
63 HA TYR 11 HA TYR 11 40.698 -27.938 -5.925
64 HB2 TYR 11 HB2 TYR 11 40.535 -28.248 -8.917
65 HB3 TYR 11 HB1 TYR 11 41.754 -27.401 -7.964
66 HD1 TYR 11 HD2 TYR 11 43.202 -28.804 -6.354
67 HD2 TYR 11 HD1 TYR 11 40.844 -30.507 -9.515
68 HE1 TYR 11 HE2 TYR 11 44.569 -30.871 -6.258
69 HE2 TYR 11 HE1 TYR 11 42.211 -32.574 -9.419
70 HH TYR 11 HH TYR 11 45.159 -32.750 -7.699
71 H GLY 12 HN GLY 12 40.406 -25.822 -7.564
72 HA2 GLY 12 HA2 GLY 12 38.922 -24.241 -8.437
73 HA3 GLY 12 HA1 GLY 12 37.596 -25.367 -8.163
74 H ALA 13 HN ALA 13 39.344 -22.687 -6.934
75 HA ALA 13 HA ALA 13 37.433 -22.437 -4.734
76 HB1 ALA 13 HB1 ALA 13 40.403 -22.190 -4.229
77 HB2 ALA 13 HB2 ALA 13 39.472 -23.639 -3.852
78 HB3 ALA 13 HB3 ALA 13 39.101 -22.118 -3.041
79 H ASP 14 HN ASP 14 37.271 -20.949 -6.943
80 HA ASP 14 HA ASP 14 38.711 -18.434 -6.441
81 HB2 ASP 14 HB2 ASP 14 38.029 -17.775 -8.657
82 HB3 ASP 14 HB1 ASP 14 38.680 -19.411 -8.749
83 H ASN 15 HN ASN 15 36.956 -18.845 -4.464
84 HA ASN 15 HA ASN 15 34.975 -16.757 -4.939
85 HB2 ASN 15 HB2 ASN 15 34.223 -19.533 -3.999
86 HB3 ASN 15 HB1 ASN 15 33.153 -18.133 -3.951
87 HD21 ASN 15 HD21 ASN 15 34.047 -20.767 -5.873
88 HD22 ASN 15 HD22 ASN 15 33.466 -20.197 -7.362
89 H GLN 16 HN GLN 16 37.290 -16.592 -3.448
90 HA GLN 16 HA GLN 16 36.855 -17.200 -0.682
91 HB2 GLN 16 HB2 GLN 16 38.798 -15.528 -0.407
92 HB3 GLN 16 HB1 GLN 16 39.118 -17.011 -1.308
93 HG2 GLN 16 HG2 GLN 16 38.101 -14.706 -2.884
94 HG3 GLN 16 HG1 GLN 16 39.744 -14.563 -2.260
95 HE21 GLN 16 HE21 GLN 16 38.206 -15.465 -5.001
96 HE22 GLN 16 HE22 GLN 16 39.245 -16.692 -5.544
97 H SER 17 HN SER 17 34.551 -16.096 -1.192
98 HA SER 17 HA SER 17 34.613 -13.219 -0.711
99 HB2 SER 17 HB2 SER 17 32.963 -14.422 -2.267
100 HB3 SER 17 HB1 SER 17 32.157 -14.965 -0.798
101 HG SER 17 HG SER 17 32.798 -12.252 -1.311
102 H GLU 18 HN GLU 18 32.412 -12.834 0.864
103 HA GLU 18 HA GLU 18 32.008 -12.481 3.115
104 HB2 GLU 18 HB2 GLU 18 30.998 -14.782 2.455
105 HB3 GLU 18 HB1 GLU 18 32.322 -15.459 3.404
106 HG2 GLU 18 HG2 GLU 18 31.437 -13.551 5.119
107 HG3 GLU 18 HG1 GLU 18 29.928 -13.953 4.300
108 H CYS 19 HN CYS 19 34.376 -11.620 3.013
109 HA CYS 19 HA CYS 19 35.905 -13.016 5.126
110 HB2 CYS 19 HB2 CYS 19 37.958 -12.018 3.953
111 HB3 CYS 19 HB1 CYS 19 37.194 -13.409 3.184
112 HG CYS 19 HG CYS 19 37.000 -11.939 1.199
113 H GLU 20 HN GLU 20 34.058 -11.105 5.749
114 HA GLU 20 HA GLU 20 35.732 -9.051 6.926
115 HB2 GLU 20 HB2 GLU 20 33.529 -8.365 4.962
116 HB3 GLU 20 HB1 GLU 20 34.245 -7.205 6.081
117 HG2 GLU 20 HG2 GLU 20 36.513 -7.882 5.074
118 HG3 GLU 20 HG1 GLU 20 35.581 -8.660 3.795
119 H TYR 21 HN TYR 21 32.514 -8.078 6.594
120 HA TYR 21 HA TYR 21 30.947 -7.726 8.263
121 HB2 TYR 21 HB2 TYR 21 29.821 -9.827 8.874
122 HB3 TYR 21 HB1 TYR 21 30.211 -9.781 7.155
123 HD1 TYR 21 HD1 TYR 21 32.035 -11.148 6.233
124 HD2 TYR 21 HD2 TYR 21 30.965 -11.357 10.387
125 HE1 TYR 21 HE1 TYR 21 33.335 -13.247 6.463
126 HE2 TYR 21 HE2 TYR 21 32.265 -13.454 10.618
127 HH TYR 21 HH TYR 21 33.928 -14.902 7.813
128 H THR 22 HN THR 22 33.805 -7.852 9.173
129 HA THR 22 HA THR 22 33.210 -8.134 12.028
130 HB THR 22 HB THR 22 35.233 -9.723 10.490
131 HG1 THR 22 HG1 THR 22 33.668 -10.996 11.144
132 HG21 THR 22 HG21 THR 22 36.729 -8.665 11.976
133 HG22 THR 22 HG22 THR 22 36.281 -10.144 12.824
134 HG23 THR 22 HG23 THR 22 35.539 -8.610 13.277
135 H ASP 23 HN ASP 23 35.382 -7.060 9.465
136 HA ASP 23 HA ASP 23 36.607 -5.121 11.323
137 HB2 ASP 23 HB2 ASP 23 37.973 -6.767 9.824
138 HB3 ASP 23 HB1 ASP 23 37.586 -5.630 8.534
139 H TRP 24 HN TRP 24 33.933 -5.067 9.781
140 HA TRP 24 HA TRP 24 33.814 -3.308 7.718
141 HB2 TRP 24 HB2 TRP 24 31.745 -2.342 9.143
142 HB3 TRP 24 HB1 TRP 24 31.698 -3.898 8.322
143 HD1 TRP 24 HD1 TRP 24 33.676 -3.282 11.550
144 HE1 TRP 24 HE1 TRP 24 32.683 -4.760 13.413
145 HE3 TRP 24 HE3 TRP 24 29.610 -5.169 9.104
146 HZ2 TRP 24 HZ2 TRP 24 30.459 -6.514 13.812
147 HZ3 TRP 24 HZ3 TRP 24 28.074 -6.741 10.247
148 HH2 TRP 24 HH2 TRP 24 28.493 -7.415 12.597
149 H LYS 25 HN LYS 25 32.820 -1.733 10.670
150 HA LYS 25 HA LYS 25 34.651 0.492 10.036
151 HB2 LYS 25 HB2 LYS 25 32.997 1.698 11.681
152 HB3 LYS 25 HB1 LYS 25 32.522 1.412 10.009
153 HG2 LYS 25 HG2 LYS 25 30.729 0.767 11.598
154 HG3 LYS 25 HG1 LYS 25 31.310 -0.617 10.675
155 HD2 LYS 25 HD2 LYS 25 32.541 -1.468 12.509
156 HD3 LYS 25 HD1 LYS 25 32.472 0.067 13.375
157 HE2 LYS 25 HE2 LYS 25 30.018 -1.584 12.731
158 HE3 LYS 25 HE1 LYS 25 30.898 -1.713 14.253
159 HZ1 LYS 25 HZ1 LYS 25 30.604 0.879 14.198
160 HZ2 LYS 25 HZ2 LYS 25 29.380 -0.133 14.801
161 HZ3 LYS 25 HZ3 LYS 25 29.270 0.491 13.225
162 H SER 26 HN SER 26 35.078 -2.053 11.708
163 HA SER 26 HA SER 26 35.516 -0.986 14.378
164 HB2 SER 26 HB2 SER 26 35.769 -3.159 15.039
165 HB3 SER 26 HB1 SER 26 34.904 -3.467 13.538
166 HG SER 26 HG SER 26 37.030 -3.580 12.542
167 H SER 27 HN SER 27 37.220 -1.170 11.437
168 HA SER 27 HA SER 27 39.397 -0.731 10.841
169 HB2 SER 27 HB2 SER 27 39.151 0.786 13.436
170 HB3 SER 27 HB1 SER 27 40.614 0.833 12.456
171 HG SER 27 HG SER 27 37.995 1.435 11.529
172 H GLY 28 HN GLY 28 38.890 -3.214 12.190
173 HA2 GLY 28 HA2 GLY 28 40.256 -4.997 12.793
174 HA3 GLY 28 HA1 GLY 28 41.607 -3.874 12.936
175 H ALA 29 HN ALA 29 39.134 -2.507 14.606
176 HA ALA 29 HA ALA 29 38.911 -2.079 16.865
177 HB1 ALA 29 HB1 ALA 29 38.866 -5.107 16.882
178 HB2 ALA 29 HB2 ALA 29 37.483 -4.059 16.573
179 HB3 ALA 29 HB3 ALA 29 38.248 -4.062 18.161
180 H LEU 30 HN LEU 30 41.372 -1.488 16.509
181 HA LEU 30 HA LEU 30 42.843 -2.848 18.672
182 HB2 LEU 30 HB2 LEU 30 43.836 -2.215 15.896
183 HB3 LEU 30 HB1 LEU 30 44.938 -2.441 17.254
184 HG LEU 30 HG LEU 30 42.866 -4.525 17.017
185 HD11 LEU 30 HD11 LEU 30 44.936 -4.071 14.858
186 HD12 LEU 30 HD12 LEU 30 43.200 -4.305 14.660
187 HD13 LEU 30 HD13 LEU 30 44.219 -5.653 15.163
188 HD21 LEU 30 HD21 LEU 30 45.883 -4.756 17.118
189 HD22 LEU 30 HD22 LEU 30 44.688 -5.940 17.649
190 HD23 LEU 30 HD23 LEU 30 44.910 -4.443 18.555
191 H ILE 31 HN ILE 31 41.371 -0.531 18.976
192 HA ILE 31 HA ILE 31 43.028 1.201 20.293
193 HB ILE 31 HB ILE 31 43.254 1.629 17.434
194 HG12 ILE 31 HG12 ILE 31 45.068 1.585 19.199
195 HG13 ILE 31 HG11 ILE 31 45.141 2.966 18.110
196 HG21 ILE 31 HG21 ILE 31 42.982 4.101 17.457
197 HG22 ILE 31 HG22 ILE 31 42.225 3.998 19.041
198 HG23 ILE 31 HG23 ILE 31 41.448 3.261 17.641
199 HD11 ILE 31 HD11 ILE 31 45.146 3.087 20.880
200 HD12 ILE 31 HD12 ILE 31 43.476 3.474 20.470
201 HD13 ILE 31 HD13 ILE 31 44.793 4.431 19.797
202 HA PRO 32 HA PRO 32 38.744 3.273 19.343
203 HB2 PRO 32 HB2 PRO 32 37.192 1.066 18.170
204 HB3 PRO 32 HB1 PRO 32 37.364 2.739 17.610
205 HG2 PRO 32 HG2 PRO 32 38.462 0.656 16.313
206 HG3 PRO 32 HG1 PRO 32 39.203 2.266 16.342
207 HD2 PRO 32 HD2 PRO 32 39.942 -0.179 17.915
208 HD3 PRO 32 HD1 PRO 32 40.999 1.045 17.177
209 H ALA 33 HN ALA 33 39.319 0.024 20.369
210 HA ALA 33 HA ALA 33 36.967 -0.327 21.956
211 HB1 ALA 33 HB1 ALA 33 38.496 -2.088 23.094
212 HB2 ALA 33 HB2 ALA 33 39.644 -1.691 21.815
213 HB3 ALA 33 HB3 ALA 33 38.053 -2.331 21.405
214 H ILE 34 HN ILE 34 40.112 1.118 22.475
215 HA ILE 34 HA ILE 34 39.700 1.379 25.346
216 HB ILE 34 HB ILE 34 41.888 2.490 23.572
217 HG12 ILE 34 HG12 ILE 34 42.921 0.469 25.174
218 HG13 ILE 34 HG11 ILE 34 41.351 -0.167 24.685
219 HG21 ILE 34 HG21 ILE 34 41.464 2.350 26.559
220 HG22 ILE 34 HG22 ILE 34 41.879 3.755 25.578
221 HG23 ILE 34 HG23 ILE 34 43.078 2.494 25.863
222 HD11 ILE 34 HD11 ILE 34 41.899 0.307 22.321
223 HD12 ILE 34 HD12 ILE 34 43.083 -0.782 23.045
224 HD13 ILE 34 HD13 ILE 34 43.477 0.922 22.816
225 H TYR 35 HN TYR 35 39.424 3.304 22.435
226 HA TYR 35 HA TYR 35 39.317 5.867 23.602
227 HB2 TYR 35 HB2 TYR 35 39.158 4.848 21.036
228 HB3 TYR 35 HB1 TYR 35 37.546 5.514 21.302
229 HD1 TYR 35 HD2 TYR 35 37.358 7.906 22.207
230 HD2 TYR 35 HD1 TYR 35 40.994 6.272 20.604
231 HE1 TYR 35 HE2 TYR 35 38.248 10.199 21.888
232 HE2 TYR 35 HE1 TYR 35 41.884 8.565 20.285
233 HH TYR 35 HH TYR 35 41.347 10.929 21.500
234 H MET 36 HN MET 36 36.736 3.548 22.819
235 HA MET 36 HA MET 36 34.609 5.174 23.778
236 HB2 MET 36 HB2 MET 36 34.779 2.172 23.423
237 HB3 MET 36 HB1 MET 36 33.293 3.075 23.717
238 HG2 MET 36 HG2 MET 36 34.679 4.348 21.570
239 HG3 MET 36 HG1 MET 36 34.612 2.620 21.223
240 HE1 MET 36 HE1 MET 36 31.399 5.703 20.885
241 HE2 MET 36 HE2 MET 36 33.098 5.689 20.418
242 HE3 MET 36 HE3 MET 36 32.660 5.836 22.119
243 H LEU 37 HN LEU 37 36.402 2.458 25.225
244 HA LEU 37 HA LEU 37 35.071 2.256 27.643
245 HB2 LEU 37 HB2 LEU 37 37.746 1.575 26.632
246 HB3 LEU 37 HB1 LEU 37 37.692 1.847 28.372
247 HG LEU 37 HG LEU 37 37.249 -0.539 27.696
248 HD11 LEU 37 HD11 LEU 37 36.144 -0.620 29.651
249 HD12 LEU 37 HD12 LEU 37 34.679 -0.046 28.854
250 HD13 LEU 37 HD13 LEU 37 35.820 1.110 29.541
251 HD21 LEU 37 HD21 LEU 37 34.482 0.111 26.893
252 HD22 LEU 37 HD22 LEU 37 35.588 -1.098 26.243
253 HD23 LEU 37 HD23 LEU 37 35.714 0.581 25.722
254 H VAL 38 HN VAL 38 36.886 4.875 26.447
255 HA VAL 38 HA VAL 38 37.272 6.005 29.142
256 HB VAL 38 HB VAL 38 38.390 6.859 26.462
257 HG11 VAL 38 HG11 VAL 38 38.265 8.146 29.116
258 HG12 VAL 38 HG12 VAL 38 38.552 8.863 27.532
259 HG13 VAL 38 HG13 VAL 38 39.877 8.092 28.404
260 HG21 VAL 38 HG21 VAL 38 40.395 5.842 27.112
261 HG22 VAL 38 HG22 VAL 38 39.199 4.705 27.734
262 HG23 VAL 38 HG23 VAL 38 39.964 5.862 28.823
263 H PHE 39 HN PHE 39 35.474 6.352 26.191
264 HA PHE 39 HA PHE 39 34.594 9.047 26.679
265 HB2 PHE 39 HB2 PHE 39 34.598 7.413 24.485
266 HB3 PHE 39 HB1 PHE 39 32.905 7.343 24.972
267 HD1 PHE 39 HD1 PHE 39 35.690 9.772 24.372
268 HD2 PHE 39 HD2 PHE 39 31.448 9.099 24.419
269 HE1 PHE 39 HE1 PHE 39 35.321 12.031 23.415
270 HE2 PHE 39 HE2 PHE 39 31.079 11.358 23.463
271 HZ PHE 39 HZ PHE 39 33.015 12.823 22.961
272 H LEU 40 HN LEU 40 32.716 6.011 26.535
273 HA LEU 40 HA LEU 40 30.468 7.030 27.883
274 HB2 LEU 40 HB2 LEU 40 29.828 4.659 28.186
275 HB3 LEU 40 HB1 LEU 40 30.358 4.994 26.538
276 HG LEU 40 HG LEU 40 32.724 4.324 27.792
277 HD11 LEU 40 HD11 LEU 40 31.482 3.620 29.812
278 HD12 LEU 40 HD12 LEU 40 32.256 2.244 29.027
279 HD13 LEU 40 HD13 LEU 40 30.524 2.512 28.832
280 HD21 LEU 40 HD21 LEU 40 31.952 3.565 25.578
281 HD22 LEU 40 HD22 LEU 40 30.770 2.505 26.346
282 HD23 LEU 40 HD23 LEU 40 32.495 2.195 26.547
283 H LEU 41 HN LEU 41 33.497 6.666 29.093
284 HA LEU 41 HA LEU 41 33.046 5.474 31.628
285 HB2 LEU 41 HB2 LEU 41 35.246 6.453 30.238
286 HB3 LEU 41 HB1 LEU 41 35.108 7.531 31.628
287 HG LEU 41 HG LEU 41 35.191 4.501 31.735
288 HD11 LEU 41 HD11 LEU 41 37.425 4.798 31.715
289 HD12 LEU 41 HD12 LEU 41 37.263 5.662 33.245
290 HD13 LEU 41 HD13 LEU 41 37.241 6.552 31.723
291 HD21 LEU 41 HD21 LEU 41 34.448 6.602 33.679
292 HD22 LEU 41 HD22 LEU 41 35.611 5.420 34.279
293 HD23 LEU 41 HD23 LEU 41 34.044 4.885 33.669
294 H GLY 42 HN GLY 42 33.047 8.855 30.528
295 HA2 GLY 42 HA2 GLY 42 31.170 9.588 32.601
296 HA3 GLY 42 HA1 GLY 42 32.778 10.271 32.830
297 H THR 43 HN THR 43 30.944 9.680 29.840
298 HA THR 43 HA THR 43 31.352 12.507 29.120
299 HB THR 43 HB THR 43 32.180 10.805 27.528
300 HG1 THR 43 HG1 THR 43 31.659 12.403 26.278
301 HG21 THR 43 HG21 THR 43 30.885 9.104 26.699
302 HG22 THR 43 HG22 THR 43 29.401 10.053 26.781
303 HG23 THR 43 HG23 THR 43 30.057 9.317 28.242
304 H THR 44 HN THR 44 28.897 10.079 29.691
305 HA THR 44 HA THR 44 26.849 12.193 29.555
306 HB THR 44 HB THR 44 25.312 10.362 28.584
307 HG1 THR 44 HG1 THR 44 26.257 8.556 28.169
308 HG21 THR 44 HG21 THR 44 27.462 11.892 27.167
309 HG22 THR 44 HG22 THR 44 25.713 12.116 27.120
310 HG23 THR 44 HG23 THR 44 26.456 10.782 26.236
311 H GLY 45 HN GLY 45 26.295 8.751 29.953
312 HA2 GLY 45 HA2 GLY 45 26.027 9.054 32.861
313 HA3 GLY 45 HA1 GLY 45 24.603 8.564 31.948
314 H ASN 46 HN ASN 46 24.941 6.632 30.482
315 HA ASN 46 HA ASN 46 25.239 4.339 30.475
316 HB2 ASN 46 HB2 ASN 46 28.111 5.146 30.968
317 HB3 ASN 46 HB1 ASN 46 27.541 3.681 30.172
318 HD21 ASN 46 HD21 ASN 46 27.401 7.266 29.827
319 HD22 ASN 46 HD22 ASN 46 27.343 7.244 28.132
320 H GLY 47 HN GLY 47 24.400 5.241 32.989
321 HA2 GLY 47 HA2 GLY 47 25.712 3.247 34.720
322 HA3 GLY 47 HA1 GLY 47 25.447 4.879 35.325
323 H LEU 48 HN LEU 48 22.966 5.505 34.427
324 HA LEU 48 HA LEU 48 21.191 3.351 35.386
325 HB2 LEU 48 HB2 LEU 48 21.849 5.614 36.884
326 HB3 LEU 48 HB1 LEU 48 20.272 5.988 36.187
327 HG LEU 48 HG LEU 48 19.495 3.706 36.968
328 HD11 LEU 48 HD11 LEU 48 22.244 3.385 37.482
329 HD12 LEU 48 HD12 LEU 48 20.948 2.275 37.927
330 HD13 LEU 48 HD13 LEU 48 21.485 3.506 39.069
331 HD21 LEU 48 HD21 LEU 48 19.953 4.645 39.545
332 HD22 LEU 48 HD22 LEU 48 18.614 5.120 38.502
333 HD23 LEU 48 HD23 LEU 48 20.081 6.097 38.553
334 H VAL 49 HN VAL 49 21.974 5.379 32.939
335 HA VAL 49 HA VAL 49 19.368 6.295 32.139
336 HB VAL 49 HB VAL 49 21.864 6.021 30.452
337 HG11 VAL 49 HG11 VAL 49 19.362 7.720 30.232
338 HG12 VAL 49 HG12 VAL 49 19.846 6.415 29.148
339 HG13 VAL 49 HG13 VAL 49 20.785 7.906 29.207
340 HG21 VAL 49 HG21 VAL 49 22.461 7.345 32.364
341 HG22 VAL 49 HG22 VAL 49 20.922 8.205 32.328
342 HG23 VAL 49 HG23 VAL 49 22.118 8.483 31.063
343 H LEU 50 HN LEU 50 21.223 3.397 31.737
344 HA LEU 50 HA LEU 50 19.558 2.442 29.532
345 HB2 LEU 50 HB2 LEU 50 22.000 1.405 30.948
346 HB3 LEU 50 HB1 LEU 50 21.043 0.335 29.927
347 HG LEU 50 HG LEU 50 22.965 1.475 28.739
348 HD11 LEU 50 HD11 LEU 50 20.736 2.636 27.271
349 HD12 LEU 50 HD12 LEU 50 20.340 1.019 27.851
350 HD13 LEU 50 HD13 LEU 50 21.763 1.269 26.842
351 HD21 LEU 50 HD21 LEU 50 22.570 3.645 30.051
352 HD22 LEU 50 HD22 LEU 50 21.246 3.956 28.928
353 HD23 LEU 50 HD23 LEU 50 22.899 3.819 28.327
354 H TRP 51 HN TRP 51 19.564 2.425 32.924
355 HA TRP 51 HA TRP 51 18.316 -0.120 33.352
356 HB2 TRP 51 HB2 TRP 51 18.922 0.409 35.443
357 HB3 TRP 51 HB1 TRP 51 19.269 2.070 34.960
358 HD1 TRP 51 HD1 TRP 51 17.142 3.788 34.948
359 HE1 TRP 51 HE1 TRP 51 15.062 3.840 36.471
360 HE3 TRP 51 HE3 TRP 51 17.286 -0.970 36.799
361 HZ2 TRP 51 HZ2 TRP 51 13.647 2.093 38.240
362 HZ3 TRP 51 HZ3 TRP 51 15.561 -1.748 38.399
363 HH2 TRP 51 HH2 TRP 51 13.744 -0.225 39.122
364 H THR 52 HN THR 52 17.197 3.145 32.717
365 HA THR 52 HA THR 52 14.451 2.650 33.365
366 HB THR 52 HB THR 52 15.748 4.916 33.135
367 HG1 THR 52 HG1 THR 52 13.171 4.716 31.991
368 HG21 THR 52 HG21 THR 52 16.232 4.272 30.659
369 HG22 THR 52 HG22 THR 52 15.752 5.931 31.017
370 HG23 THR 52 HG23 THR 52 14.573 4.791 30.367
371 H VAL 53 HN VAL 53 16.455 2.140 30.574
372 HA VAL 53 HA VAL 53 14.442 2.027 28.588
373 HB VAL 53 HB VAL 53 17.154 0.701 28.778
374 HG11 VAL 53 HG11 VAL 53 16.048 -0.658 27.222
375 HG12 VAL 53 HG12 VAL 53 16.745 0.595 26.195
376 HG13 VAL 53 HG13 VAL 53 15.040 0.667 26.637
377 HG21 VAL 53 HG21 VAL 53 17.172 3.160 28.664
378 HG22 VAL 53 HG22 VAL 53 16.113 3.113 27.256
379 HG23 VAL 53 HG23 VAL 53 17.753 2.474 27.148
380 H PHE 54 HN PHE 54 16.255 -0.791 29.792
381 HA PHE 54 HA PHE 54 14.593 -2.790 28.974
382 HB2 PHE 54 HB2 PHE 54 16.014 -4.058 30.155
383 HB3 PHE 54 HB1 PHE 54 16.741 -2.574 30.772
384 HD1 PHE 54 HD1 PHE 54 14.097 -5.114 31.407
385 HD2 PHE 54 HD2 PHE 54 16.389 -1.859 33.021
386 HE1 PHE 54 HE1 PHE 54 13.236 -5.631 33.673
387 HE2 PHE 54 HE2 PHE 54 15.528 -2.377 35.288
388 HZ PHE 54 HZ PHE 54 13.950 -4.263 35.615
389 H ARG 55 HN ARG 55 14.166 -0.695 31.775
390 HA ARG 55 HA ARG 55 11.979 -2.107 32.922
391 HB2 ARG 55 HB2 ARG 55 13.293 -0.483 34.206
392 HB3 ARG 55 HB1 ARG 55 12.739 0.815 33.150
393 HG2 ARG 55 HG2 ARG 55 10.541 -0.789 34.230
394 HG3 ARG 55 HG1 ARG 55 11.491 0.006 35.485
395 HD2 ARG 55 HD2 ARG 55 11.109 2.161 34.554
396 HD3 ARG 55 HD1 ARG 55 10.519 1.487 33.038
397 HE ARG 55 HE ARG 55 8.451 1.107 34.046
398 HH11 ARG 55 HH21 ARG 55 10.853 2.064 36.343
399 HH12 ARG 55 HH22 ARG 55 9.719 2.337 37.623
400 HH21 ARG 55 HH11 ARG 55 6.955 1.465 35.719
401 HH22 ARG 55 HH12 ARG 55 7.512 1.997 37.270
402 H LYS 56 HN LYS 56 12.049 0.924 31.030
403 HA LYS 56 HA LYS 56 9.376 1.416 30.748
404 HB2 LYS 56 HB2 LYS 56 11.614 1.718 28.746
405 HB3 LYS 56 HB1 LYS 56 9.978 2.297 28.428
406 HG2 LYS 56 HG2 LYS 56 11.192 3.056 31.041
407 HG3 LYS 56 HG1 LYS 56 11.834 3.846 29.600
408 HD2 LYS 56 HD2 LYS 56 8.860 3.655 29.983
409 HD3 LYS 56 HD1 LYS 56 9.770 4.902 30.837
410 HE2 LYS 56 HE2 LYS 56 10.301 6.033 28.906
411 HE3 LYS 56 HE1 LYS 56 10.341 4.564 27.932
412 HZ1 LYS 56 HZ1 LYS 56 8.392 5.399 27.200
413 HZ2 LYS 56 HZ2 LYS 56 8.090 6.280 28.620
414 HZ3 LYS 56 HZ3 LYS 56 7.782 4.610 28.572
415 H LYS 57 HN LYS 57 11.302 -0.952 28.959
416 HA LYS 57 HA LYS 57 9.171 -1.742 27.215
417 HB2 LYS 57 HB2 LYS 57 11.815 -3.010 27.940
418 HB3 LYS 57 HB1 LYS 57 10.695 -3.720 26.778
419 HG2 LYS 57 HG2 LYS 57 11.067 -2.086 25.205
420 HG3 LYS 57 HG1 LYS 57 11.362 -0.840 26.418
421 HD2 LYS 57 HD2 LYS 57 13.586 -1.502 26.747
422 HD3 LYS 57 HD1 LYS 57 13.305 -3.114 26.088
423 HE2 LYS 57 HE2 LYS 57 13.094 -2.229 23.845
424 HE3 LYS 57 HE1 LYS 57 13.154 -0.572 24.445
425 HZ1 LYS 57 HZ1 LYS 57 15.315 -2.564 24.280
426 HZ2 LYS 57 HZ2 LYS 57 15.399 -1.320 25.436
427 HZ3 LYS 57 HZ3 LYS 57 15.312 -0.942 23.781
428 H GLY 58 HN GLY 58 8.223 -1.707 29.845
429 HA2 GLY 58 HA2 GLY 58 8.269 -4.172 31.193
430 HA3 GLY 58 HA1 GLY 58 6.985 -2.973 31.313
431 H HIS 59 HN HIS 59 5.042 -3.489 30.508
432 HA HIS 59 HA HIS 59 4.846 -5.504 28.379
433 HB2 HIS 59 HB2 HIS 59 3.651 -5.701 31.128
434 HB3 HIS 59 HB1 HIS 59 2.856 -6.462 29.750
435 HD2 HIS 59 HD2 HIS 59 6.397 -6.688 31.548
436 HE1 HIS 59 HE1 HIS 59 5.714 -10.252 29.391
437 HE2 HIS 59 HE2 HIS 59 7.300 -9.072 30.986
438 H HIS 60 HN HIS 60 2.367 -4.151 30.514
439 HA HIS 60 HA HIS 60 0.572 -3.507 28.472
440 HB2 HIS 60 HB2 HIS 60 -0.268 -1.805 30.304
441 HB3 HIS 60 HB1 HIS 60 -0.426 -3.543 30.561
442 HD2 HIS 60 HD2 HIS 60 2.331 -0.810 31.507
443 HE1 HIS 60 HE1 HIS 60 2.172 -3.752 34.530
444 HE2 HIS 60 HE2 HIS 60 3.271 -1.576 33.820
445 H HIS 61 HN HIS 61 -0.091 -1.434 27.650
446 HA HIS 61 HA HIS 61 1.858 0.075 26.446
447 HB2 HIS 61 HB2 HIS 61 0.106 1.903 26.327
448 HB3 HIS 61 HB1 HIS 61 -0.407 0.325 25.730
449 HD2 HIS 61 HD2 HIS 61 -2.970 -0.064 26.668
450 HE1 HIS 61 HE1 HIS 61 -2.449 1.528 30.544
451 HE2 HIS 61 HE2 HIS 61 -4.097 0.397 28.977
452 H HIS 62 HN HIS 62 3.043 1.886 26.921
453 HA HIS 62 HA HIS 62 3.969 2.348 29.472
454 HB2 HIS 62 HB2 HIS 62 4.987 4.322 28.642
455 HB3 HIS 62 HB1 HIS 62 4.883 3.238 27.254
456 HD2 HIS 62 HD2 HIS 62 1.885 3.802 26.185
457 HE1 HIS 62 HE1 HIS 62 2.868 7.904 26.346
458 HE2 HIS 62 HE2 HIS 62 1.243 6.204 25.387
459 H HIS 63 HN HIS 63 3.290 3.429 31.231
460 HA HIS 63 HA HIS 63 0.623 4.166 31.589
461 HB2 HIS 63 HB2 HIS 63 3.145 4.845 33.087
462 HB3 HIS 63 HB1 HIS 63 1.580 5.481 33.593
463 HD2 HIS 63 HD2 HIS 63 2.284 1.760 32.362
464 HE1 HIS 63 HE1 HIS 63 0.674 1.647 36.263
465 HE2 HIS 63 HE2 HIS 63 1.440 0.228 34.302
466 H HIS 64 HN HIS 64 -0.102 6.409 32.273
467 HA HIS 64 HA HIS 64 -0.620 8.554 31.635
468 HB2 HIS 64 HB2 HIS 64 1.752 8.807 32.572
469 HB3 HIS 64 HB1 HIS 64 2.290 8.846 30.892
470 HD2 HIS 64 HD2 HIS 64 -0.761 10.633 30.300
471 HE1 HIS 64 HE1 HIS 64 1.584 13.625 32.135
472 HE2 HIS 64 HE2 HIS 64 -0.498 13.192 30.747
Start of MODEL 32
1 H1 MET 1 HT1 MET 1 23.171 -14.666 34.490
2 H2 MET 1 HT2 MET 1 23.076 -13.550 35.768
3 H3 MET 1 HT3 MET 1 22.501 -13.132 34.224
4 HA MET 1 HA MET 1 21.277 -14.807 36.284
5 HB2 MET 1 HB2 MET 1 20.642 -12.398 35.584
6 HB3 MET 1 HB1 MET 1 19.974 -13.141 34.131
7 HG2 MET 1 HG2 MET 1 18.111 -13.190 35.512
8 HG3 MET 1 HG1 MET 1 18.821 -14.761 35.884
9 HE1 MET 1 HE1 MET 1 17.714 -15.091 38.015
10 HE2 MET 1 HE2 MET 1 18.600 -14.677 39.481
11 HE3 MET 1 HE3 MET 1 19.421 -15.527 38.174
12 H GLU 2 HN GLU 2 22.238 -14.935 32.990
13 HA GLU 2 HA GLU 2 22.038 -16.579 31.402
14 HB2 GLU 2 HB2 GLU 2 20.418 -18.264 33.287
15 HB3 GLU 2 HB1 GLU 2 21.583 -18.767 32.063
16 HG2 GLU 2 HG2 GLU 2 23.211 -17.301 33.639
17 HG3 GLU 2 HG1 GLU 2 22.047 -17.839 34.848
18 H GLU 3 HN GLU 3 20.674 -16.656 29.722
19 HA GLU 3 HA GLU 3 18.687 -16.714 28.532
20 HB2 GLU 3 HB2 GLU 3 17.889 -17.882 30.802
21 HB3 GLU 3 HB1 GLU 3 16.991 -16.371 30.952
22 HG2 GLU 3 HG2 GLU 3 16.119 -16.730 28.625
23 HG3 GLU 3 HG1 GLU 3 16.898 -18.311 28.626
24 H GLY 4 HN GLY 4 18.493 -14.868 27.440
25 HA2 GLY 4 HA2 GLY 4 16.896 -12.796 27.769
26 HA3 GLY 4 HA1 GLY 4 18.184 -12.333 28.878
27 H GLY 5 HN GLY 5 20.297 -13.529 27.263
28 HA2 GLY 5 HA2 GLY 5 20.758 -11.301 25.485
29 HA3 GLY 5 HA1 GLY 5 21.860 -12.640 25.794
30 H ASP 6 HN ASP 6 19.411 -11.377 23.725
31 HA ASP 6 HA ASP 6 19.981 -13.460 21.761
32 HB2 ASP 6 HB2 ASP 6 17.768 -13.787 23.350
33 HB3 ASP 6 HB1 ASP 6 17.101 -12.921 21.967
34 H PHE 7 HN PHE 7 20.565 -12.306 20.042
35 HA PHE 7 HA PHE 7 19.368 -9.677 19.563
36 HB2 PHE 7 HB2 PHE 7 21.580 -11.050 18.023
37 HB3 PHE 7 HB1 PHE 7 21.148 -9.341 17.976
38 HD1 PHE 7 HD1 PHE 7 21.309 -7.997 20.164
39 HD2 PHE 7 HD2 PHE 7 23.116 -11.856 19.623
40 HE1 PHE 7 HE1 PHE 7 22.815 -7.560 22.084
41 HE2 PHE 7 HE2 PHE 7 24.623 -11.419 21.544
42 HZ PHE 7 HZ PHE 7 24.473 -9.271 22.775
43 H ASP 8 HN ASP 8 18.469 -9.104 17.520
44 HA ASP 8 HA ASP 8 17.844 -11.213 15.618
45 HB2 ASP 8 HB2 ASP 8 16.086 -11.373 17.416
46 HB3 ASP 8 HB1 ASP 8 15.590 -9.737 16.989
47 H ASN 9 HN ASN 9 19.423 -9.147 15.056
48 HA ASN 9 HA ASN 9 17.741 -7.487 13.301
49 HB2 ASN 9 HB2 ASN 9 20.012 -6.391 14.972
50 HB3 ASN 9 HB1 ASN 9 18.982 -5.482 13.869
51 HD21 ASN 9 HD21 ASN 9 19.369 -5.454 16.970
52 HD22 ASN 9 HD22 ASN 9 17.775 -5.505 17.553
53 H TYR 10 HN TYR 10 19.164 -9.772 12.562
54 HA TYR 10 HA TYR 10 21.775 -9.468 11.689
55 HB2 TYR 10 HB2 TYR 10 21.127 -11.595 11.230
56 HB3 TYR 10 HB1 TYR 10 19.462 -11.122 10.892
57 HD1 TYR 10 HD1 TYR 10 22.865 -11.427 9.488
58 HD2 TYR 10 HD2 TYR 10 18.762 -10.459 8.666
59 HE1 TYR 10 HE1 TYR 10 23.331 -11.519 7.054
60 HE2 TYR 10 HE2 TYR 10 19.229 -10.549 6.232
61 HH TYR 10 HH TYR 10 22.488 -10.844 4.996
62 H TYR 11 HN TYR 11 18.772 -8.449 10.100
63 HA TYR 11 HA TYR 11 19.631 -7.663 7.630
64 HB2 TYR 11 HB2 TYR 11 17.787 -6.221 7.535
65 HB3 TYR 11 HB1 TYR 11 17.305 -7.401 8.754
66 HD1 TYR 11 HD1 TYR 11 18.507 -3.955 8.184
67 HD2 TYR 11 HD2 TYR 11 17.172 -6.809 11.105
68 HE1 TYR 11 HE1 TYR 11 18.269 -2.136 9.854
69 HE2 TYR 11 HE2 TYR 11 16.935 -4.991 12.773
70 HH TYR 11 HH TYR 11 17.303 -2.837 13.208
71 H GLY 12 HN GLY 12 20.554 -5.812 6.722
72 HA2 GLY 12 HA2 GLY 12 21.276 -3.425 7.405
73 HA3 GLY 12 HA1 GLY 12 22.269 -4.289 8.575
74 H ALA 13 HN ALA 13 22.661 -2.645 5.922
75 HA ALA 13 HA ALA 13 24.960 -4.209 5.055
76 HB1 ALA 13 HB1 ALA 13 23.203 -5.084 3.606
77 HB2 ALA 13 HB2 ALA 13 24.311 -4.085 2.666
78 HB3 ALA 13 HB3 ALA 13 22.738 -3.447 3.146
79 H ASP 14 HN ASP 14 25.093 -1.905 6.446
80 HA ASP 14 HA ASP 14 25.206 0.405 4.720
81 HB2 ASP 14 HB2 ASP 14 26.512 0.198 7.423
82 HB3 ASP 14 HB1 ASP 14 25.822 1.617 6.638
83 H ASN 15 HN ASN 15 26.631 -0.871 3.162
84 HA ASN 15 HA ASN 15 29.458 -0.319 3.819
85 HB2 ASN 15 HB2 ASN 15 28.313 -2.772 2.472
86 HB3 ASN 15 HB1 ASN 15 30.027 -2.360 2.463
87 HD21 ASN 15 HD21 ASN 15 28.924 -4.749 3.734
88 HD22 ASN 15 HD22 ASN 15 29.229 -4.614 5.399
89 H GLN 16 HN GLN 16 28.175 -1.796 0.919
90 HA GLN 16 HA GLN 16 28.531 -1.179 -1.290
91 HB2 GLN 16 HB2 GLN 16 26.493 0.271 -0.035
92 HB3 GLN 16 HB1 GLN 16 27.389 1.470 -0.965
93 HG2 GLN 16 HG2 GLN 16 27.110 0.198 -3.001
94 HG3 GLN 16 HG1 GLN 16 26.404 -1.157 -2.117
95 HE21 GLN 16 HE21 GLN 16 24.594 0.103 -0.421
96 HE22 GLN 16 HE22 GLN 16 23.417 0.917 -1.337
97 H SER 17 HN SER 17 30.694 -0.360 0.613
98 HA SER 17 HA SER 17 31.910 1.654 -1.153
99 HB2 SER 17 HB2 SER 17 30.957 2.663 1.020
100 HB3 SER 17 HB1 SER 17 32.261 1.804 1.835
101 HG SER 17 HG SER 17 32.457 3.751 -0.221
102 H GLU 18 HN GLU 18 34.046 1.324 -1.564
103 HA GLU 18 HA GLU 18 35.195 -1.175 -0.584
104 HB2 GLU 18 HB2 GLU 18 35.199 -0.324 -3.043
105 HB3 GLU 18 HB1 GLU 18 36.541 0.693 -2.515
106 HG2 GLU 18 HG2 GLU 18 37.331 -1.655 -1.451
107 HG3 GLU 18 HG1 GLU 18 36.411 -2.261 -2.828
108 H CYS 19 HN CYS 19 35.167 0.188 1.589
109 HA CYS 19 HA CYS 19 37.946 0.988 2.015
110 HB2 CYS 19 HB2 CYS 19 36.984 2.962 3.426
111 HB3 CYS 19 HB1 CYS 19 37.147 3.154 1.681
112 HG CYS 19 HG CYS 19 34.432 2.068 2.123
113 H GLU 20 HN GLU 20 38.697 0.415 3.996
114 HA GLU 20 HA GLU 20 38.761 -0.696 6.007
115 HB2 GLU 20 HB2 GLU 20 36.298 1.001 6.191
116 HB3 GLU 20 HB1 GLU 20 36.652 -0.151 7.479
117 HG2 GLU 20 HG2 GLU 20 37.627 2.075 7.960
118 HG3 GLU 20 HG1 GLU 20 38.875 0.842 7.785
119 H TYR 21 HN TYR 21 36.931 -1.655 3.576
120 HA TYR 21 HA TYR 21 35.074 -3.458 4.798
121 HB2 TYR 21 HB2 TYR 21 34.426 -3.925 2.671
122 HB3 TYR 21 HB1 TYR 21 35.384 -2.498 2.276
123 HD1 TYR 21 HD1 TYR 21 37.736 -2.747 1.480
124 HD2 TYR 21 HD2 TYR 21 35.159 -6.132 2.071
125 HE1 TYR 21 HE1 TYR 21 39.268 -4.149 0.125
126 HE2 TYR 21 HE2 TYR 21 36.692 -7.535 0.716
127 HH TYR 21 HH TYR 21 39.067 -6.274 -1.265
128 H THR 22 HN THR 22 38.388 -3.460 4.725
129 HA THR 22 HA THR 22 38.627 -6.389 4.589
130 HB THR 22 HB THR 22 40.656 -4.153 4.539
131 HG1 THR 22 HG1 THR 22 39.327 -5.499 2.719
132 HG21 THR 22 HG21 THR 22 41.787 -5.744 5.833
133 HG22 THR 22 HG22 THR 22 42.251 -6.189 4.191
134 HG23 THR 22 HG23 THR 22 40.995 -7.101 5.031
135 H ASP 23 HN ASP 23 38.954 -3.655 6.767
136 HA ASP 23 HA ASP 23 39.956 -5.347 8.927
137 HB2 ASP 23 HB2 ASP 23 40.516 -3.407 10.021
138 HB3 ASP 23 HB1 ASP 23 40.539 -2.814 8.362
139 H TRP 24 HN TRP 24 37.190 -5.561 7.693
140 HA TRP 24 HA TRP 24 35.175 -4.619 9.327
141 HB2 TRP 24 HB2 TRP 24 34.107 -6.974 8.731
142 HB3 TRP 24 HB1 TRP 24 34.343 -5.740 7.497
143 HD1 TRP 24 HD1 TRP 24 37.317 -7.690 8.864
144 HE1 TRP 24 HE1 TRP 24 38.272 -9.175 6.987
145 HE3 TRP 24 HE3 TRP 24 33.730 -7.011 5.293
146 HZ2 TRP 24 HZ2 TRP 24 37.605 -9.969 4.321
147 HZ3 TRP 24 HZ3 TRP 24 33.916 -8.142 3.095
148 HH2 TRP 24 HH2 TRP 24 35.846 -9.619 2.605
149 H LYS 25 HN LYS 25 35.366 -8.048 9.655
150 HA LYS 25 HA LYS 25 35.523 -7.731 12.575
151 HB2 LYS 25 HB2 LYS 25 34.656 -10.079 12.604
152 HB3 LYS 25 HB1 LYS 25 33.573 -8.937 11.807
153 HG2 LYS 25 HG2 LYS 25 35.413 -9.930 9.854
154 HG3 LYS 25 HG1 LYS 25 34.733 -11.308 10.719
155 HD2 LYS 25 HD2 LYS 25 32.454 -10.429 10.313
156 HD3 LYS 25 HD1 LYS 25 33.145 -9.075 9.418
157 HE2 LYS 25 HE2 LYS 25 33.214 -10.336 7.559
158 HE3 LYS 25 HE1 LYS 25 34.275 -11.483 8.376
159 HZ1 LYS 25 HZ1 LYS 25 32.332 -12.635 7.671
160 HZ2 LYS 25 HZ2 LYS 25 31.308 -11.474 8.375
161 HZ3 LYS 25 HZ3 LYS 25 32.251 -12.488 9.360
162 H SER 26 HN SER 26 37.941 -7.319 11.891
163 HA SER 26 HA SER 26 39.344 -9.871 12.335
164 HB2 SER 26 HB2 SER 26 39.643 -9.508 9.987
165 HB3 SER 26 HB1 SER 26 40.001 -7.801 10.232
166 HG SER 26 HG SER 26 41.540 -9.831 11.451
167 H SER 27 HN SER 27 38.603 -7.735 14.148
168 HA SER 27 HA SER 27 39.628 -6.790 15.998
169 HB2 SER 27 HB2 SER 27 42.366 -7.025 14.861
170 HB3 SER 27 HB1 SER 27 41.801 -7.305 16.506
171 HG SER 27 HG SER 27 41.551 -9.326 16.016
172 H GLY 28 HN GLY 28 39.325 -5.664 13.044
173 HA2 GLY 28 HA2 GLY 28 41.036 -3.558 12.585
174 HA3 GLY 28 HA1 GLY 28 39.322 -3.521 12.184
175 H ALA 29 HN ALA 29 38.490 -3.816 14.982
176 HA ALA 29 HA ALA 29 38.978 -1.034 15.835
177 HB1 ALA 29 HB1 ALA 29 36.660 -1.350 15.556
178 HB2 ALA 29 HB2 ALA 29 36.909 -1.533 17.292
179 HB3 ALA 29 HB3 ALA 29 36.704 -2.959 16.276
180 H LEU 30 HN LEU 30 41.084 -1.830 16.695
181 HA LEU 30 HA LEU 30 40.800 -3.292 19.242
182 HB2 LEU 30 HB2 LEU 30 43.235 -3.638 19.088
183 HB3 LEU 30 HB1 LEU 30 42.405 -4.256 17.659
184 HG LEU 30 HG LEU 30 42.908 -1.630 16.969
185 HD11 LEU 30 HD11 LEU 30 44.350 -1.569 19.088
186 HD12 LEU 30 HD12 LEU 30 45.143 -1.081 17.590
187 HD13 LEU 30 HD13 LEU 30 45.431 -2.687 18.256
188 HD21 LEU 30 HD21 LEU 30 44.823 -2.694 15.635
189 HD22 LEU 30 HD22 LEU 30 43.231 -3.422 15.425
190 HD23 LEU 30 HD23 LEU 30 44.425 -4.199 16.464
191 H ILE 31 HN ILE 31 41.962 -0.304 17.789
192 HA ILE 31 HA ILE 31 42.961 0.694 20.322
193 HB ILE 31 HB ILE 31 43.222 1.401 17.517
194 HG12 ILE 31 HG12 ILE 31 45.008 0.740 19.173
195 HG13 ILE 31 HG11 ILE 31 45.361 2.197 18.250
196 HG21 ILE 31 HG21 ILE 31 42.709 3.673 19.470
197 HG22 ILE 31 HG22 ILE 31 41.809 3.319 17.994
198 HG23 ILE 31 HG23 ILE 31 43.479 3.861 17.898
199 HD11 ILE 31 HD11 ILE 31 43.909 2.764 20.737
200 HD12 ILE 31 HD12 ILE 31 45.387 3.488 20.108
201 HD13 ILE 31 HD13 ILE 31 45.462 1.977 21.012
202 HA PRO 32 HA PRO 32 39.038 3.526 19.532
203 HB2 PRO 32 HB2 PRO 32 37.212 1.466 18.431
204 HB3 PRO 32 HB1 PRO 32 37.427 3.158 17.946
205 HG2 PRO 32 HG2 PRO 32 38.312 1.132 16.445
206 HG3 PRO 32 HG1 PRO 32 39.174 2.676 16.548
207 HD2 PRO 32 HD2 PRO 32 39.836 0.059 17.843
208 HD3 PRO 32 HD1 PRO 32 40.925 1.304 17.193
209 H ALA 33 HN ALA 33 38.311 0.057 19.983
210 HA ALA 33 HA ALA 33 36.361 0.159 21.900
211 HB1 ALA 33 HB1 ALA 33 37.773 -1.932 22.845
212 HB2 ALA 33 HB2 ALA 33 38.538 -1.755 21.265
213 HB3 ALA 33 HB3 ALA 33 36.797 -2.019 21.379
214 H ILE 34 HN ILE 34 39.775 0.848 22.297
215 HA ILE 34 HA ILE 34 39.645 0.903 25.187
216 HB ILE 34 HB ILE 34 41.739 1.534 23.133
217 HG12 ILE 34 HG12 ILE 34 42.963 -0.182 24.336
218 HG13 ILE 34 HG11 ILE 34 41.758 -0.195 25.625
219 HG21 ILE 34 HG21 ILE 34 41.640 2.431 26.010
220 HG22 ILE 34 HG22 ILE 34 42.137 3.346 24.585
221 HG23 ILE 34 HG23 ILE 34 43.182 2.080 25.228
222 HD11 ILE 34 HD11 ILE 34 41.612 -2.043 23.807
223 HD12 ILE 34 HD12 ILE 34 40.972 -0.767 22.772
224 HD13 ILE 34 HD13 ILE 34 40.127 -1.205 24.256
225 H TYR 35 HN TYR 35 39.356 3.156 22.533
226 HA TYR 35 HA TYR 35 39.580 5.533 24.114
227 HB2 TYR 35 HB2 TYR 35 39.436 4.915 21.379
228 HB3 TYR 35 HB1 TYR 35 38.002 5.884 21.718
229 HD1 TYR 35 HD1 TYR 35 38.340 8.056 23.098
230 HD2 TYR 35 HD2 TYR 35 41.532 5.952 21.138
231 HE1 TYR 35 HE1 TYR 35 39.741 10.099 23.186
232 HE2 TYR 35 HE2 TYR 35 42.933 7.997 21.227
233 HH TYR 35 HH TYR 35 41.622 11.076 22.315
234 H MET 36 HN MET 36 36.764 4.102 22.443
235 HA MET 36 HA MET 36 34.756 5.623 23.515
236 HB2 MET 36 HB2 MET 36 33.392 3.411 23.438
237 HB3 MET 36 HB1 MET 36 34.068 4.033 21.936
238 HG2 MET 36 HG2 MET 36 35.546 2.326 21.739
239 HG3 MET 36 HG1 MET 36 35.871 2.267 23.472
240 HE1 MET 36 HE1 MET 36 32.567 1.431 24.745
241 HE2 MET 36 HE2 MET 36 34.247 1.841 25.075
242 HE3 MET 36 HE3 MET 36 33.730 0.159 25.142
243 H LEU 37 HN LEU 37 36.596 3.069 25.052
244 HA LEU 37 HA LEU 37 35.047 2.533 27.294
245 HB2 LEU 37 HB2 LEU 37 37.628 1.904 26.419
246 HB3 LEU 37 HB1 LEU 37 37.876 2.736 27.952
247 HG LEU 37 HG LEU 37 37.615 0.355 28.381
248 HD11 LEU 37 HD11 LEU 37 36.212 2.341 29.640
249 HD12 LEU 37 HD12 LEU 37 36.290 0.669 30.199
250 HD13 LEU 37 HD13 LEU 37 34.922 1.213 29.226
251 HD21 LEU 37 HD21 LEU 37 34.835 0.035 27.655
252 HD22 LEU 37 HD22 LEU 37 36.224 -0.935 27.165
253 HD23 LEU 37 HD23 LEU 37 35.777 0.495 26.237
254 H VAL 38 HN VAL 38 37.673 4.936 27.024
255 HA VAL 38 HA VAL 38 36.964 6.155 29.542
256 HB VAL 38 HB VAL 38 38.751 7.470 27.529
257 HG11 VAL 38 HG11 VAL 38 40.003 8.034 29.574
258 HG12 VAL 38 HG12 VAL 38 38.892 7.056 30.534
259 HG13 VAL 38 HG13 VAL 38 38.314 8.516 29.732
260 HG21 VAL 38 HG21 VAL 38 39.205 4.855 28.951
261 HG22 VAL 38 HG22 VAL 38 40.564 5.936 28.641
262 HG23 VAL 38 HG23 VAL 38 39.616 5.303 27.295
263 H PHE 39 HN PHE 39 35.208 6.118 26.946
264 HA PHE 39 HA PHE 39 34.658 9.019 26.843
265 HB2 PHE 39 HB2 PHE 39 35.165 7.586 24.723
266 HB3 PHE 39 HB1 PHE 39 33.505 7.026 24.921
267 HD1 PHE 39 HD1 PHE 39 35.652 9.963 24.284
268 HD2 PHE 39 HD2 PHE 39 31.619 8.515 24.589
269 HE1 PHE 39 HE1 PHE 39 34.821 12.059 23.250
270 HE2 PHE 39 HE2 PHE 39 30.789 10.610 23.554
271 HZ PHE 39 HZ PHE 39 32.389 12.382 22.885
272 H LEU 40 HN LEU 40 33.063 5.841 27.061
273 HA LEU 40 HA LEU 40 30.461 6.902 27.525
274 HB2 LEU 40 HB2 LEU 40 29.892 4.602 28.239
275 HB3 LEU 40 HB1 LEU 40 30.760 4.623 26.705
276 HG LEU 40 HG LEU 40 32.823 4.474 28.519
277 HD11 LEU 40 HD11 LEU 40 32.277 2.943 30.247
278 HD12 LEU 40 HD12 LEU 40 30.727 2.539 29.510
279 HD13 LEU 40 HD13 LEU 40 30.958 4.111 30.270
280 HD21 LEU 40 HD21 LEU 40 32.832 2.021 27.878
281 HD22 LEU 40 HD22 LEU 40 32.704 3.134 26.516
282 HD23 LEU 40 HD23 LEU 40 31.271 2.289 27.102
283 H LEU 41 HN LEU 41 33.110 5.914 29.641
284 HA LEU 41 HA LEU 41 31.553 6.270 32.049
285 HB2 LEU 41 HB2 LEU 41 33.418 5.485 33.195
286 HB3 LEU 41 HB1 LEU 41 33.626 4.726 31.623
287 HG LEU 41 HG LEU 41 34.969 6.925 31.048
288 HD11 LEU 41 HD11 LEU 41 35.568 8.278 32.755
289 HD12 LEU 41 HD12 LEU 41 36.052 6.908 33.751
290 HD13 LEU 41 HD13 LEU 41 34.377 7.449 33.754
291 HD21 LEU 41 HD21 LEU 41 36.020 4.689 32.804
292 HD22 LEU 41 HD22 LEU 41 37.031 5.783 31.859
293 HD23 LEU 41 HD23 LEU 41 35.921 4.682 31.044
294 H GLY 42 HN GLY 42 33.551 8.232 30.008
295 HA2 GLY 42 HA2 GLY 42 34.055 10.288 31.969
296 HA3 GLY 42 HA1 GLY 42 34.376 10.389 30.240
297 H THR 43 HN THR 43 31.593 9.586 29.590
298 HA THR 43 HA THR 43 29.774 11.469 30.700
299 HB THR 43 HB THR 43 31.189 13.083 29.503
300 HG1 THR 43 HG1 THR 43 29.516 14.066 28.500
301 HG21 THR 43 HG21 THR 43 31.321 11.011 27.587
302 HG22 THR 43 HG22 THR 43 32.083 12.598 27.499
303 HG23 THR 43 HG23 THR 43 30.480 12.350 26.807
304 H THR 44 HN THR 44 28.839 11.808 27.717
305 HA THR 44 HA THR 44 27.452 10.710 26.244
306 HB THR 44 HB THR 44 28.032 8.056 27.492
307 HG1 THR 44 HG1 THR 44 29.961 9.612 27.160
308 HG21 THR 44 HG21 THR 44 26.601 8.655 25.365
309 HG22 THR 44 HG22 THR 44 27.681 7.261 25.333
310 HG23 THR 44 HG23 THR 44 28.178 8.779 24.584
311 H GLY 45 HN GLY 45 27.392 9.534 29.584
312 HA2 GLY 45 HA2 GLY 45 24.488 9.931 29.631
313 HA3 GLY 45 HA1 GLY 45 25.093 8.328 30.037
314 H ASN 46 HN ASN 46 27.022 11.086 30.840
315 HA ASN 46 HA ASN 46 26.044 11.099 33.611
316 HB2 ASN 46 HB2 ASN 46 28.975 10.816 32.926
317 HB3 ASN 46 HB1 ASN 46 28.245 10.796 34.531
318 HD21 ASN 46 HD21 ASN 46 28.805 8.881 31.623
319 HD22 ASN 46 HD22 ASN 46 28.215 7.420 32.254
320 H GLY 47 HN GLY 47 25.231 13.183 33.166
321 HA2 GLY 47 HA2 GLY 47 26.637 15.365 33.941
322 HA3 GLY 47 HA1 GLY 47 26.992 15.276 32.219
323 H LEU 48 HN LEU 48 24.620 14.436 31.153
324 HA LEU 48 HA LEU 48 22.892 16.763 31.664
325 HB2 LEU 48 HB2 LEU 48 23.821 16.208 29.335
326 HB3 LEU 48 HB1 LEU 48 22.674 14.867 29.332
327 HG LEU 48 HG LEU 48 21.034 16.860 30.137
328 HD11 LEU 48 HD11 LEU 48 22.864 18.204 28.140
329 HD12 LEU 48 HD12 LEU 48 23.026 18.452 29.879
330 HD13 LEU 48 HD13 LEU 48 21.539 18.923 29.056
331 HD21 LEU 48 HD21 LEU 48 20.317 17.000 27.758
332 HD22 LEU 48 HD22 LEU 48 20.630 15.336 28.254
333 HD23 LEU 48 HD23 LEU 48 21.816 16.202 27.278
334 H VAL 49 HN VAL 49 22.915 13.251 31.578
335 HA VAL 49 HA VAL 49 20.171 12.736 31.701
336 HB VAL 49 HB VAL 49 22.403 11.208 33.062
337 HG11 VAL 49 HG11 VAL 49 20.734 9.298 32.582
338 HG12 VAL 49 HG12 VAL 49 19.535 10.573 32.367
339 HG13 VAL 49 HG13 VAL 49 20.353 10.384 33.918
340 HG21 VAL 49 HG21 VAL 49 22.636 11.660 30.562
341 HG22 VAL 49 HG22 VAL 49 21.157 10.725 30.344
342 HG23 VAL 49 HG23 VAL 49 22.592 9.959 31.023
343 H LEU 50 HN LEU 50 22.188 14.278 33.966
344 HA LEU 50 HA LEU 50 20.469 13.647 36.251
345 HB2 LEU 50 HB2 LEU 50 22.761 15.591 36.307
346 HB3 LEU 50 HB1 LEU 50 22.131 14.579 37.607
347 HG LEU 50 HG LEU 50 23.665 13.647 35.165
348 HD11 LEU 50 HD11 LEU 50 24.584 14.623 37.578
349 HD12 LEU 50 HD12 LEU 50 25.481 13.535 36.518
350 HD13 LEU 50 HD13 LEU 50 24.543 12.883 37.863
351 HD21 LEU 50 HD21 LEU 50 23.485 11.414 36.518
352 HD22 LEU 50 HD22 LEU 50 22.120 11.914 35.519
353 HD23 LEU 50 HD23 LEU 50 22.081 12.177 37.262
354 H TRP 51 HN TRP 51 20.996 16.129 33.897
355 HA TRP 51 HA TRP 51 19.829 18.297 35.343
356 HB2 TRP 51 HB2 TRP 51 20.656 19.411 33.587
357 HB3 TRP 51 HB1 TRP 51 21.024 17.886 32.782
358 HD1 TRP 51 HD1 TRP 51 18.957 16.773 31.346
359 HE1 TRP 51 HE1 TRP 51 17.113 17.943 29.976
360 HE3 TRP 51 HE3 TRP 51 19.204 21.461 33.358
361 HZ2 TRP 51 HZ2 TRP 51 15.903 20.526 29.762
362 HZ3 TRP 51 HZ3 TRP 51 17.695 23.254 32.553
363 HH2 TRP 51 HH2 TRP 51 16.047 22.794 30.759
364 H THR 52 HN THR 52 18.576 15.712 33.343
365 HA THR 52 HA THR 52 15.933 16.875 33.124
366 HB THR 52 HB THR 52 17.083 15.258 31.460
367 HG1 THR 52 HG1 THR 52 15.111 14.741 30.776
368 HG21 THR 52 HG21 THR 52 17.521 13.629 33.443
369 HG22 THR 52 HG22 THR 52 16.995 12.954 31.901
370 HG23 THR 52 HG23 THR 52 15.838 13.155 33.215
371 H VAL 53 HN VAL 53 17.609 14.626 35.210
372 HA VAL 53 HA VAL 53 15.359 13.408 36.417
373 HB VAL 53 HB VAL 53 18.156 13.899 37.459
374 HG11 VAL 53 HG11 VAL 53 15.737 12.738 38.708
375 HG12 VAL 53 HG12 VAL 53 17.185 13.405 39.463
376 HG13 VAL 53 HG13 VAL 53 17.195 11.755 38.842
377 HG21 VAL 53 HG21 VAL 53 18.710 11.874 36.518
378 HG22 VAL 53 HG22 VAL 53 17.419 12.318 35.403
379 HG23 VAL 53 HG23 VAL 53 17.090 11.212 36.736
380 H PHE 54 HN PHE 54 17.509 15.877 37.850
381 HA PHE 54 HA PHE 54 15.850 16.566 39.981
382 HB2 PHE 54 HB2 PHE 54 17.558 17.935 40.461
383 HB3 PHE 54 HB1 PHE 54 18.304 17.447 38.939
384 HD1 PHE 54 HD2 PHE 54 16.186 19.985 40.594
385 HD2 PHE 54 HD1 PHE 54 18.204 18.859 36.973
386 HE1 PHE 54 HE2 PHE 54 15.844 22.271 39.692
387 HE2 PHE 54 HE1 PHE 54 17.863 21.144 36.071
388 HZ PHE 54 HZ PHE 54 16.682 22.850 37.430
389 H ARG 55 HN ARG 55 15.447 17.177 36.652
390 HA ARG 55 HA ARG 55 13.779 19.536 37.006
391 HB2 ARG 55 HB2 ARG 55 15.202 19.327 35.007
392 HB3 ARG 55 HB1 ARG 55 14.329 17.866 34.541
393 HG2 ARG 55 HG2 ARG 55 12.652 19.070 33.640
394 HG3 ARG 55 HG1 ARG 55 12.483 20.031 35.111
395 HD2 ARG 55 HD2 ARG 55 14.636 20.502 33.035
396 HD3 ARG 55 HD1 ARG 55 13.106 21.372 33.069
397 HE ARG 55 HE ARG 55 14.307 21.572 35.612
398 HH11 ARG 55 HH21 ARG 55 14.753 22.568 32.328
399 HH12 ARG 55 HH22 ARG 55 15.586 24.029 32.739
400 HH21 ARG 55 HH11 ARG 55 15.398 23.488 36.159
401 HH22 ARG 55 HH12 ARG 55 15.950 24.550 34.908
402 H LYS 56 HN LYS 56 13.313 16.225 35.751
403 HA LYS 56 HA LYS 56 10.631 16.168 35.305
404 HB2 LYS 56 HB2 LYS 56 12.372 14.069 36.607
405 HB3 LYS 56 HB1 LYS 56 10.701 13.768 36.126
406 HG2 LYS 56 HG2 LYS 56 12.463 15.024 34.085
407 HG3 LYS 56 HG1 LYS 56 12.782 13.333 34.469
408 HD2 LYS 56 HD2 LYS 56 10.437 12.765 34.015
409 HD3 LYS 56 HD1 LYS 56 10.081 14.459 33.676
410 HE2 LYS 56 HE2 LYS 56 12.347 13.685 32.106
411 HE3 LYS 56 HE1 LYS 56 11.074 12.486 31.875
412 HZ1 LYS 56 HZ1 LYS 56 10.349 13.997 30.392
413 HZ2 LYS 56 HZ2 LYS 56 11.128 15.301 31.153
414 HZ3 LYS 56 HZ3 LYS 56 9.652 14.718 31.759
415 H LYS 57 HN LYS 57 12.219 15.875 38.467
416 HA LYS 57 HA LYS 57 9.694 15.678 39.871
417 HB2 LYS 57 HB2 LYS 57 12.515 16.062 40.901
418 HB3 LYS 57 HB1 LYS 57 11.101 15.721 41.899
419 HG2 LYS 57 HG2 LYS 57 11.089 13.522 41.339
420 HG3 LYS 57 HG1 LYS 57 11.443 13.860 39.644
421 HD2 LYS 57 HD2 LYS 57 13.781 14.042 40.062
422 HD3 LYS 57 HD1 LYS 57 13.537 14.127 41.807
423 HE2 LYS 57 HE2 LYS 57 12.564 11.709 40.322
424 HE3 LYS 57 HE1 LYS 57 14.284 11.854 40.685
425 HZ1 LYS 57 HZ1 LYS 57 13.839 11.174 42.728
426 HZ2 LYS 57 HZ2 LYS 57 12.171 11.147 42.410
427 HZ3 LYS 57 HZ3 LYS 57 12.906 12.566 42.985
428 H GLY 58 HN GLY 58 9.785 17.979 38.278
429 HA2 GLY 58 HA2 GLY 58 10.299 20.199 40.137
430 HA3 GLY 58 HA1 GLY 58 10.002 20.347 38.407
431 H HIS 59 HN HIS 59 8.057 18.337 40.521
432 HA HIS 59 HA HIS 59 5.694 19.896 39.800
433 HB2 HIS 59 HB2 HIS 59 5.744 17.406 41.499
434 HB3 HIS 59 HB1 HIS 59 4.420 18.037 40.518
435 HD2 HIS 59 HD2 HIS 59 6.470 18.482 37.791
436 HE1 HIS 59 HE1 HIS 59 6.673 14.270 37.995
437 HE2 HIS 59 HE2 HIS 59 7.081 16.289 36.511
438 H HIS 60 HN HIS 60 7.194 18.628 42.781
439 HA HIS 60 HA HIS 60 6.901 19.251 44.988
440 HB2 HIS 60 HB2 HIS 60 8.213 21.182 43.659
441 HB3 HIS 60 HB1 HIS 60 6.809 22.110 44.185
442 HD2 HIS 60 HD2 HIS 60 9.981 22.213 45.608
443 HE1 HIS 60 HE1 HIS 60 7.808 20.885 48.975
444 HE2 HIS 60 HE2 HIS 60 9.994 21.923 48.202
445 H HIS 61 HN HIS 61 5.699 21.629 46.011
446 HA HIS 61 HA HIS 61 3.007 20.774 46.235
447 HB2 HIS 61 HB2 HIS 61 4.699 22.684 47.487
448 HB3 HIS 61 HB1 HIS 61 3.248 23.533 46.952
449 HD2 HIS 61 HD2 HIS 61 4.254 20.709 49.490
450 HE1 HIS 61 HE1 HIS 61 0.146 21.535 50.010
451 HE2 HIS 61 HE2 HIS 61 2.133 20.263 50.948
452 H HIS 62 HN HIS 62 1.094 22.056 45.680
453 HA HIS 62 HA HIS 62 0.805 22.546 42.980
454 HB2 HIS 62 HB2 HIS 62 -0.710 23.529 45.385
455 HB3 HIS 62 HB1 HIS 62 -1.165 24.047 43.761
456 HD2 HIS 62 HD2 HIS 62 -1.816 21.769 41.989
457 HE1 HIS 62 HE1 HIS 62 -2.686 19.203 45.226
458 HE2 HIS 62 HE2 HIS 62 -2.897 19.505 42.713
459 H HIS 63 HN HIS 63 0.399 24.584 41.836
460 HA HIS 63 HA HIS 63 2.559 26.343 41.930
461 HB2 HIS 63 HB2 HIS 63 -0.086 26.300 40.599
462 HB3 HIS 63 HB1 HIS 63 0.683 27.881 40.739
463 HD2 HIS 63 HD2 HIS 63 2.162 24.319 39.671
464 HE1 HIS 63 HE1 HIS 63 3.561 27.286 37.012
465 HE2 HIS 63 HE2 HIS 63 3.641 24.812 37.575
466 H HIS 64 HN HIS 64 2.994 28.203 42.990
467 HA HIS 64 HA HIS 64 1.046 29.858 44.222
468 HB2 HIS 64 HB2 HIS 64 1.090 27.800 45.750
469 HB3 HIS 64 HB1 HIS 64 2.713 28.317 46.207
470 HD2 HIS 64 HD2 HIS 64 1.139 28.755 48.781
471 HE1 HIS 64 HE1 HIS 64 -0.122 32.555 47.442
472 HE2 HIS 64 HE2 HIS 64 0.089 31.044 49.472
Start of MODEL 33
1 H1 MET 1 HT1 MET 1 6.962 -43.418 7.816
2 H2 MET 1 HT2 MET 1 8.405 -42.659 8.293
3 H3 MET 1 HT3 MET 1 6.984 -41.748 8.103
4 HA MET 1 HA MET 1 5.951 -42.946 9.939
5 HB2 MET 1 HB2 MET 1 8.442 -44.504 9.622
6 HB3 MET 1 HB1 MET 1 8.006 -44.137 11.291
7 HG2 MET 1 HG2 MET 1 5.763 -45.071 10.930
8 HG3 MET 1 HG1 MET 1 6.161 -45.406 9.245
9 HE1 MET 1 HE1 MET 1 6.491 -49.000 9.879
10 HE2 MET 1 HE2 MET 1 6.530 -47.761 8.626
11 HE3 MET 1 HE3 MET 1 5.238 -47.751 9.825
12 H GLU 2 HN GLU 2 5.754 -41.398 11.430
13 HA GLU 2 HA GLU 2 8.170 -40.029 12.412
14 HB2 GLU 2 HB2 GLU 2 7.127 -37.875 12.219
15 HB3 GLU 2 HB1 GLU 2 7.011 -38.659 10.644
16 HG2 GLU 2 HG2 GLU 2 4.716 -39.544 11.805
17 HG3 GLU 2 HG1 GLU 2 4.872 -37.961 12.566
18 H GLU 3 HN GLU 3 6.459 -38.174 13.878
19 HA GLU 3 HA GLU 3 5.609 -37.987 16.008
20 HB2 GLU 3 HB2 GLU 3 4.093 -40.252 14.780
21 HB3 GLU 3 HB1 GLU 3 3.890 -39.940 16.504
22 HG2 GLU 3 HG2 GLU 3 3.756 -37.626 14.610
23 HG3 GLU 3 HG1 GLU 3 2.367 -38.703 14.721
24 H GLY 4 HN GLY 4 7.891 -38.533 16.652
25 HA2 GLY 4 HA2 GLY 4 8.011 -40.103 18.902
26 HA3 GLY 4 HA1 GLY 4 8.484 -41.179 17.591
27 H GLY 5 HN GLY 5 9.688 -38.992 16.032
28 HA2 GLY 5 HA2 GLY 5 12.302 -39.032 17.291
29 HA3 GLY 5 HA1 GLY 5 11.918 -38.406 15.690
30 H ASP 6 HN ASP 6 12.748 -37.576 18.825
31 HA ASP 6 HA ASP 6 11.424 -34.999 18.907
32 HB2 ASP 6 HB2 ASP 6 11.878 -36.199 20.990
33 HB3 ASP 6 HB1 ASP 6 13.607 -36.172 20.644
34 H PHE 7 HN PHE 7 12.082 -33.522 17.461
35 HA PHE 7 HA PHE 7 14.847 -32.640 17.533
36 HB2 PHE 7 HB2 PHE 7 14.287 -34.523 15.649
37 HB3 PHE 7 HB1 PHE 7 13.912 -33.045 14.762
38 HD1 PHE 7 HD1 PHE 7 16.550 -34.697 16.821
39 HD2 PHE 7 HD2 PHE 7 15.634 -31.643 13.943
40 HE1 PHE 7 HE1 PHE 7 18.972 -34.267 16.505
41 HE2 PHE 7 HE2 PHE 7 18.055 -31.213 13.627
42 HZ PHE 7 HZ PHE 7 19.725 -32.526 14.909
43 H ASP 8 HN ASP 8 14.377 -30.580 18.059
44 HA ASP 8 HA ASP 8 13.018 -28.941 16.081
45 HB2 ASP 8 HB2 ASP 8 11.257 -29.855 17.713
46 HB3 ASP 8 HB1 ASP 8 12.019 -28.823 18.922
47 H ASN 9 HN ASN 9 15.696 -29.011 16.839
48 HA ASN 9 HA ASN 9 15.995 -26.309 17.935
49 HB2 ASN 9 HB2 ASN 9 17.544 -28.689 18.982
50 HB3 ASN 9 HB1 ASN 9 17.779 -27.008 19.457
51 HD21 ASN 9 HD21 ASN 9 15.260 -29.579 19.425
52 HD22 ASN 9 HD22 ASN 9 14.449 -29.003 20.800
53 H TYR 10 HN TYR 10 16.195 -27.074 15.278
54 HA TYR 10 HA TYR 10 18.724 -27.832 14.362
55 HB2 TYR 10 HB2 TYR 10 17.300 -27.765 12.588
56 HB3 TYR 10 HB1 TYR 10 16.394 -26.397 13.234
57 HD1 TYR 10 HD1 TYR 10 19.588 -27.353 11.567
58 HD2 TYR 10 HD2 TYR 10 16.878 -24.171 12.560
59 HE1 TYR 10 HE1 TYR 10 20.851 -25.816 10.087
60 HE2 TYR 10 HE2 TYR 10 18.142 -22.634 11.079
61 HH TYR 10 HH TYR 10 19.647 -22.741 9.175
62 H TYR 11 HN TYR 11 17.434 -24.515 14.688
63 HA TYR 11 HA TYR 11 19.812 -23.165 14.095
64 HB2 TYR 11 HB2 TYR 11 18.785 -21.259 15.346
65 HB3 TYR 11 HB1 TYR 11 17.700 -21.985 14.160
66 HD1 TYR 11 HD2 TYR 11 18.558 -21.884 17.780
67 HD2 TYR 11 HD1 TYR 11 15.666 -23.039 14.820
68 HE1 TYR 11 HE2 TYR 11 16.911 -22.355 19.573
69 HE2 TYR 11 HE1 TYR 11 14.019 -23.511 16.613
70 HH TYR 11 HH TYR 11 14.776 -23.957 19.731
71 H GLY 12 HN GLY 12 20.751 -21.599 15.919
72 HA2 GLY 12 HA2 GLY 12 21.092 -22.728 18.526
73 HA3 GLY 12 HA1 GLY 12 22.486 -23.047 17.498
74 H ALA 13 HN ALA 13 20.984 -20.807 19.542
75 HA ALA 13 HA ALA 13 22.200 -18.421 18.467
76 HB1 ALA 13 HB1 ALA 13 21.471 -17.478 20.733
77 HB2 ALA 13 HB2 ALA 13 20.735 -19.054 21.026
78 HB3 ALA 13 HB3 ALA 13 20.191 -18.065 19.670
79 H ASP 14 HN ASP 14 24.211 -20.215 18.657
80 HA ASP 14 HA ASP 14 25.655 -19.609 21.151
81 HB2 ASP 14 HB2 ASP 14 27.264 -21.356 20.274
82 HB3 ASP 14 HB1 ASP 14 25.649 -21.947 20.661
83 H ASN 15 HN ASN 15 25.340 -17.473 19.385
84 HA ASN 15 HA ASN 15 28.134 -16.911 18.765
85 HB2 ASN 15 HB2 ASN 15 26.905 -17.919 16.703
86 HB3 ASN 15 HB1 ASN 15 26.104 -16.351 16.623
87 HD21 ASN 15 HD21 ASN 15 28.869 -18.026 15.604
88 HD22 ASN 15 HD22 ASN 15 29.834 -16.687 15.207
89 H GLN 16 HN GLN 16 26.878 -15.808 20.831
90 HA GLN 16 HA GLN 16 25.495 -13.372 20.126
91 HB2 GLN 16 HB2 GLN 16 25.267 -13.012 22.441
92 HB3 GLN 16 HB1 GLN 16 25.206 -14.767 22.276
93 HG2 GLN 16 HG2 GLN 16 27.488 -13.051 23.247
94 HG3 GLN 16 HG1 GLN 16 26.726 -14.423 24.049
95 HE21 GLN 16 HE21 GLN 16 27.003 -16.599 22.811
96 HE22 GLN 16 HE22 GLN 16 28.496 -16.853 22.045
97 H SER 17 HN SER 17 28.472 -14.082 19.442
98 HA SER 17 HA SER 17 30.010 -12.033 20.728
99 HB2 SER 17 HB2 SER 17 30.460 -13.865 18.389
100 HB3 SER 17 HB1 SER 17 31.584 -12.551 18.723
101 HG SER 17 HG SER 17 32.345 -13.698 20.300
102 H GLU 18 HN GLU 18 28.745 -10.138 20.419
103 HA GLU 18 HA GLU 18 28.339 -9.190 17.686
104 HB2 GLU 18 HB2 GLU 18 26.649 -8.921 19.600
105 HB3 GLU 18 HB1 GLU 18 27.727 -7.667 20.214
106 HG2 GLU 18 HG2 GLU 18 27.550 -6.979 17.569
107 HG3 GLU 18 HG1 GLU 18 25.939 -7.626 17.869
108 H CYS 19 HN CYS 19 30.917 -9.381 17.788
109 HA CYS 19 HA CYS 19 31.860 -6.614 18.151
110 HB2 CYS 19 HB2 CYS 19 32.532 -8.235 20.066
111 HB3 CYS 19 HB1 CYS 19 33.633 -8.931 18.877
112 HG CYS 19 HG CYS 19 34.512 -6.333 18.593
113 H GLU 20 HN GLU 20 31.191 -8.810 15.982
114 HA GLU 20 HA GLU 20 33.712 -8.638 14.470
115 HB2 GLU 20 HB2 GLU 20 32.036 -10.765 14.857
116 HB3 GLU 20 HB1 GLU 20 31.475 -10.150 13.302
117 HG2 GLU 20 HG2 GLU 20 33.823 -10.167 12.479
118 HG3 GLU 20 HG1 GLU 20 34.333 -10.870 14.012
119 H TYR 21 HN TYR 21 30.268 -7.860 14.292
120 HA TYR 21 HA TYR 21 30.412 -6.745 11.650
121 HB2 TYR 21 HB2 TYR 21 28.168 -6.679 11.814
122 HB3 TYR 21 HB1 TYR 21 28.368 -7.523 13.350
123 HD1 TYR 21 HD1 TYR 21 28.632 -6.157 15.477
124 HD2 TYR 21 HD2 TYR 21 27.401 -4.433 11.740
125 HE1 TYR 21 HE1 TYR 21 27.746 -4.178 16.681
126 HE2 TYR 21 HE2 TYR 21 26.516 -2.454 12.944
127 HH TYR 21 HH TYR 21 26.136 -2.397 16.352
128 H THR 22 HN THR 22 31.540 -5.691 14.611
129 HA THR 22 HA THR 22 31.183 -2.840 13.961
130 HB THR 22 HB THR 22 32.372 -3.984 16.489
131 HG1 THR 22 HG1 THR 22 29.708 -3.652 15.668
132 HG21 THR 22 HG21 THR 22 32.721 -1.573 15.982
133 HG22 THR 22 HG22 THR 22 31.714 -1.818 17.410
134 HG23 THR 22 HG23 THR 22 30.972 -1.366 15.875
135 H ASP 23 HN ASP 23 33.527 -5.386 14.098
136 HA ASP 23 HA ASP 23 35.761 -3.495 13.839
137 HB2 ASP 23 HB2 ASP 23 35.985 -5.393 15.419
138 HB3 ASP 23 HB1 ASP 23 35.793 -6.513 14.071
139 H TRP 24 HN TRP 24 33.721 -3.949 11.726
140 HA TRP 24 HA TRP 24 34.785 -5.541 9.648
141 HB2 TRP 24 HB2 TRP 24 33.357 -3.836 8.222
142 HB3 TRP 24 HB1 TRP 24 32.570 -5.004 9.279
143 HD1 TRP 24 HD1 TRP 24 34.335 -1.989 10.783
144 HE1 TRP 24 HE1 TRP 24 32.576 -0.431 11.841
145 HE3 TRP 24 HE3 TRP 24 30.059 -4.233 9.120
146 HZ2 TRP 24 HZ2 TRP 24 29.730 -0.172 11.966
147 HZ3 TRP 24 HZ3 TRP 24 27.839 -3.309 9.724
148 HH2 TRP 24 HH2 TRP 24 27.670 -1.283 11.143
149 H LYS 25 HN LYS 25 34.341 -2.298 8.617
150 HA LYS 25 HA LYS 25 37.150 -2.185 7.789
151 HB2 LYS 25 HB2 LYS 25 36.350 -0.248 6.401
152 HB3 LYS 25 HB1 LYS 25 35.580 -1.788 6.017
153 HG2 LYS 25 HG2 LYS 25 33.552 -0.963 6.535
154 HG3 LYS 25 HG1 LYS 25 34.122 -0.457 8.126
155 HD2 LYS 25 HD2 LYS 25 35.079 1.594 7.119
156 HD3 LYS 25 HD1 LYS 25 34.460 1.097 5.545
157 HE2 LYS 25 HE2 LYS 25 32.185 1.263 6.290
158 HE3 LYS 25 HE1 LYS 25 32.686 1.453 7.970
159 HZ1 LYS 25 HZ1 LYS 25 32.342 3.438 6.014
160 HZ2 LYS 25 HZ2 LYS 25 33.977 3.416 6.473
161 HZ3 LYS 25 HZ3 LYS 25 32.765 3.626 7.646
162 H SER 26 HN SER 26 37.060 -1.850 10.436
163 HA SER 26 HA SER 26 37.074 1.055 10.942
164 HB2 SER 26 HB2 SER 26 36.827 -1.359 12.711
165 HB3 SER 26 HB1 SER 26 37.363 0.180 13.377
166 HG SER 26 HG SER 26 35.403 0.983 12.126
167 H SER 27 HN SER 27 38.937 -1.581 12.422
168 HA SER 27 HA SER 27 41.439 -0.839 11.292
169 HB2 SER 27 HB2 SER 27 40.719 0.306 13.982
170 HB3 SER 27 HB1 SER 27 42.394 -0.001 13.530
171 HG SER 27 HG SER 27 41.842 1.250 11.571
172 H GLY 28 HN GLY 28 39.734 -3.161 12.093
173 HA2 GLY 28 HA2 GLY 28 40.112 -5.328 12.779
174 HA3 GLY 28 HA1 GLY 28 41.817 -4.909 12.921
175 H ALA 29 HN ALA 29 39.522 -2.987 14.643
176 HA ALA 29 HA ALA 29 39.389 -2.545 16.910
177 HB1 ALA 29 HB1 ALA 29 39.040 -5.551 16.835
178 HB2 ALA 29 HB2 ALA 29 37.766 -4.338 16.710
179 HB3 ALA 29 HB3 ALA 29 38.652 -4.535 18.223
180 H LEU 30 HN LEU 30 41.489 -1.800 17.331
181 HA LEU 30 HA LEU 30 42.974 -3.389 19.198
182 HB2 LEU 30 HB2 LEU 30 45.129 -3.090 17.704
183 HB3 LEU 30 HB1 LEU 30 44.067 -4.474 17.468
184 HG LEU 30 HG LEU 30 42.935 -3.350 15.624
185 HD11 LEU 30 HD11 LEU 30 43.984 -1.141 14.830
186 HD12 LEU 30 HD12 LEU 30 44.708 -1.040 16.434
187 HD13 LEU 30 HD13 LEU 30 42.953 -1.058 16.258
188 HD21 LEU 30 HD21 LEU 30 44.934 -3.071 14.082
189 HD22 LEU 30 HD22 LEU 30 44.890 -4.593 14.972
190 HD23 LEU 30 HD23 LEU 30 45.961 -3.295 15.498
191 H ILE 31 HN ILE 31 41.661 -0.851 19.141
192 HA ILE 31 HA ILE 31 43.363 0.748 20.586
193 HB ILE 31 HB ILE 31 43.961 0.958 17.767
194 HG12 ILE 31 HG12 ILE 31 45.573 0.872 19.678
195 HG13 ILE 31 HG11 ILE 31 45.855 2.240 18.609
196 HG21 ILE 31 HG21 ILE 31 43.937 3.429 17.575
197 HG22 ILE 31 HG22 ILE 31 43.025 3.541 19.075
198 HG23 ILE 31 HG23 ILE 31 42.308 2.772 17.659
199 HD11 ILE 31 HD11 ILE 31 45.437 2.309 21.399
200 HD12 ILE 31 HD12 ILE 31 43.975 2.983 20.681
201 HD13 ILE 31 HD13 ILE 31 45.548 3.685 20.304
202 HA PRO 32 HA PRO 32 39.480 3.229 19.072
203 HB2 PRO 32 HB2 PRO 32 37.801 1.137 17.855
204 HB3 PRO 32 HB1 PRO 32 38.219 2.745 17.236
205 HG2 PRO 32 HG2 PRO 32 39.194 0.491 16.155
206 HG3 PRO 32 HG1 PRO 32 40.121 2.001 16.206
207 HD2 PRO 32 HD2 PRO 32 40.366 -0.423 17.960
208 HD3 PRO 32 HD1 PRO 32 41.649 0.606 17.280
209 H ALA 33 HN ALA 33 39.250 -0.148 20.056
210 HA ALA 33 HA ALA 33 36.834 0.041 21.527
211 HB1 ALA 33 HB1 ALA 33 38.110 -1.941 22.816
212 HB2 ALA 33 HB2 ALA 33 39.099 -1.875 21.358
213 HB3 ALA 33 HB3 ALA 33 37.365 -2.165 21.233
214 H ILE 34 HN ILE 34 40.115 0.958 22.215
215 HA ILE 34 HA ILE 34 39.712 1.179 25.076
216 HB ILE 34 HB ILE 34 41.952 1.924 23.200
217 HG12 ILE 34 HG12 ILE 34 42.037 0.163 25.649
218 HG13 ILE 34 HG11 ILE 34 41.452 -0.466 24.108
219 HG21 ILE 34 HG21 ILE 34 42.118 3.679 24.751
220 HG22 ILE 34 HG22 ILE 34 43.140 2.435 25.470
221 HG23 ILE 34 HG23 ILE 34 41.505 2.692 26.078
222 HD11 ILE 34 HD11 ILE 34 44.016 -0.643 24.725
223 HD12 ILE 34 HD12 ILE 34 44.050 1.030 24.167
224 HD13 ILE 34 HD13 ILE 34 43.525 -0.252 23.076
225 H TYR 35 HN TYR 35 39.363 3.173 22.262
226 HA TYR 35 HA TYR 35 39.439 5.708 23.584
227 HB2 TYR 35 HB2 TYR 35 39.175 4.753 20.918
228 HB3 TYR 35 HB1 TYR 35 37.796 5.802 21.246
229 HD1 TYR 35 HD1 TYR 35 38.299 8.080 22.400
230 HD2 TYR 35 HD2 TYR 35 41.268 5.692 20.415
231 HE1 TYR 35 HE1 TYR 35 39.760 10.072 22.189
232 HE2 TYR 35 HE2 TYR 35 42.729 7.684 20.204
233 HH TYR 35 HH TYR 35 42.094 10.615 21.883
234 H MET 36 HN MET 36 36.818 3.549 22.530
235 HA MET 36 HA MET 36 34.709 5.212 23.474
236 HB2 MET 36 HB2 MET 36 33.298 3.213 23.169
237 HB3 MET 36 HB1 MET 36 34.341 3.481 21.773
238 HG2 MET 36 HG2 MET 36 35.966 1.844 22.722
239 HG3 MET 36 HG1 MET 36 34.832 1.518 24.030
240 HE1 MET 36 HE1 MET 36 33.782 2.031 20.015
241 HE2 MET 36 HE2 MET 36 34.609 0.527 19.618
242 HE3 MET 36 HE3 MET 36 35.486 1.817 20.437
243 H LEU 37 HN LEU 37 36.634 2.639 24.897
244 HA LEU 37 HA LEU 37 35.134 2.045 27.159
245 HB2 LEU 37 HB2 LEU 37 37.225 0.871 26.453
246 HB3 LEU 37 HB1 LEU 37 38.152 2.263 27.009
247 HG LEU 37 HG LEU 37 37.204 1.954 29.293
248 HD11 LEU 37 HD11 LEU 37 36.247 -0.530 29.518
249 HD12 LEU 37 HD12 LEU 37 35.732 -0.220 27.861
250 HD13 LEU 37 HD13 LEU 37 35.188 0.834 29.166
251 HD21 LEU 37 HD21 LEU 37 38.465 -0.142 29.801
252 HD22 LEU 37 HD22 LEU 37 39.368 0.961 28.762
253 HD23 LEU 37 HD23 LEU 37 38.579 -0.457 28.070
254 H VAL 38 HN VAL 38 36.913 4.904 26.359
255 HA VAL 38 HA VAL 38 36.666 5.922 29.113
256 HB VAL 38 HB VAL 38 38.210 7.023 26.753
257 HG11 VAL 38 HG11 VAL 38 37.793 8.891 28.089
258 HG12 VAL 38 HG12 VAL 38 39.295 8.288 28.789
259 HG13 VAL 38 HG13 VAL 38 37.755 7.944 29.577
260 HG21 VAL 38 HG21 VAL 38 38.926 5.291 29.112
261 HG22 VAL 38 HG22 VAL 38 40.135 6.349 28.387
262 HG23 VAL 38 HG23 VAL 38 39.371 5.090 27.418
263 H PHE 39 HN PHE 39 34.970 5.887 26.273
264 HA PHE 39 HA PHE 39 34.044 8.648 26.353
265 HB2 PHE 39 HB2 PHE 39 34.350 7.429 24.196
266 HB3 PHE 39 HB1 PHE 39 33.048 6.338 24.672
267 HD1 PHE 39 HD2 PHE 39 33.738 10.025 24.478
268 HD2 PHE 39 HD1 PHE 39 30.888 6.852 23.956
269 HE1 PHE 39 HE2 PHE 39 32.066 11.661 23.653
270 HE2 PHE 39 HE1 PHE 39 29.219 8.488 23.131
271 HZ PHE 39 HZ PHE 39 29.807 10.892 22.978
272 H LEU 40 HN LEU 40 33.482 6.095 28.256
273 HA LEU 40 HA LEU 40 30.633 6.793 28.667
274 HB2 LEU 40 HB2 LEU 40 30.295 4.501 29.490
275 HB3 LEU 40 HB1 LEU 40 30.880 4.495 27.825
276 HG LEU 40 HG LEU 40 33.226 4.496 29.286
277 HD11 LEU 40 HD11 LEU 40 31.719 4.084 31.316
278 HD12 LEU 40 HD12 LEU 40 33.023 2.924 31.069
279 HD13 LEU 40 HD13 LEU 40 31.373 2.506 30.609
280 HD21 LEU 40 HD21 LEU 40 31.574 2.267 28.076
281 HD22 LEU 40 HD22 LEU 40 33.202 1.998 28.698
282 HD23 LEU 40 HD23 LEU 40 32.944 3.115 27.358
283 H LEU 41 HN LEU 41 33.784 6.416 30.023
284 HA LEU 41 HA LEU 41 33.465 6.009 32.685
285 HB2 LEU 41 HB2 LEU 41 35.317 7.591 31.050
286 HB3 LEU 41 HB1 LEU 41 35.180 8.155 32.715
287 HG LEU 41 HG LEU 41 35.645 5.888 33.539
288 HD11 LEU 41 HD11 LEU 41 35.125 4.183 32.154
289 HD12 LEU 41 HD12 LEU 41 36.632 4.533 31.308
290 HD13 LEU 41 HD13 LEU 41 35.120 5.243 30.744
291 HD21 LEU 41 HD21 LEU 41 37.453 7.629 32.357
292 HD22 LEU 41 HD22 LEU 41 37.855 6.077 31.620
293 HD23 LEU 41 HD23 LEU 41 37.877 6.252 33.375
294 H GLY 42 HN GLY 42 32.546 8.895 30.893
295 HA2 GLY 42 HA2 GLY 42 30.487 9.722 32.497
296 HA3 GLY 42 HA1 GLY 42 31.912 10.457 33.224
297 H THR 43 HN THR 43 30.742 9.922 29.889
298 HA THR 43 HA THR 43 31.537 12.684 29.243
299 HB THR 43 HB THR 43 31.421 11.971 26.902
300 HG1 THR 43 HG1 THR 43 30.844 9.885 26.409
301 HG21 THR 43 HG21 THR 43 33.424 10.836 26.941
302 HG22 THR 43 HG22 THR 43 32.889 9.720 28.197
303 HG23 THR 43 HG23 THR 43 33.373 11.363 28.623
304 H THR 44 HN THR 44 29.292 11.133 27.177
305 HA THR 44 HA THR 44 27.435 13.107 27.002
306 HB THR 44 HB THR 44 25.813 11.413 26.297
307 HG1 THR 44 HG1 THR 44 25.972 9.759 27.643
308 HG21 THR 44 HG21 THR 44 28.543 10.466 25.429
309 HG22 THR 44 HG22 THR 44 27.900 12.028 24.922
310 HG23 THR 44 HG23 THR 44 27.059 10.543 24.479
311 H GLY 45 HN GLY 45 26.630 10.212 28.909
312 HA2 GLY 45 HA2 GLY 45 25.560 11.958 31.035
313 HA3 GLY 45 HA1 GLY 45 24.546 10.698 30.340
314 H ASN 46 HN ASN 46 25.528 8.454 30.382
315 HA ASN 46 HA ASN 46 26.041 6.696 31.799
316 HB2 ASN 46 HB2 ASN 46 28.484 8.439 31.696
317 HB3 ASN 46 HB1 ASN 46 28.482 6.964 32.662
318 HD21 ASN 46 HD21 ASN 46 28.183 8.200 29.334
319 HD22 ASN 46 HD22 ASN 46 28.471 6.707 28.580
320 H GLY 47 HN GLY 47 24.506 7.006 33.448
321 HA2 GLY 47 HA2 GLY 47 25.404 7.121 36.053
322 HA3 GLY 47 HA1 GLY 47 24.937 8.772 35.656
323 H LEU 48 HN LEU 48 22.714 8.809 34.408
324 HA LEU 48 HA LEU 48 20.843 6.881 35.612
325 HB2 LEU 48 HB2 LEU 48 21.106 9.149 36.899
326 HB3 LEU 48 HB1 LEU 48 20.134 9.793 35.575
327 HG LEU 48 HG LEU 48 18.640 7.655 36.095
328 HD11 LEU 48 HD11 LEU 48 19.566 8.292 38.881
329 HD12 LEU 48 HD12 LEU 48 20.449 7.099 37.927
330 HD13 LEU 48 HD13 LEU 48 18.740 6.853 38.284
331 HD21 LEU 48 HD21 LEU 48 17.858 9.976 36.210
332 HD22 LEU 48 HD22 LEU 48 18.670 10.194 37.760
333 HD23 LEU 48 HD23 LEU 48 17.301 9.091 37.631
334 H VAL 49 HN VAL 49 21.985 8.379 32.912
335 HA VAL 49 HA VAL 49 19.528 8.857 31.498
336 HB VAL 49 HB VAL 49 22.284 8.424 30.330
337 HG11 VAL 49 HG11 VAL 49 21.359 9.957 28.575
338 HG12 VAL 49 HG12 VAL 49 19.796 9.879 29.387
339 HG13 VAL 49 HG13 VAL 49 20.496 8.423 28.681
340 HG21 VAL 49 HG21 VAL 49 21.067 10.717 31.815
341 HG22 VAL 49 HG22 VAL 49 22.065 11.088 30.409
342 HG23 VAL 49 HG23 VAL 49 22.747 10.183 31.761
343 H LEU 50 HN LEU 50 21.838 6.202 31.744
344 HA LEU 50 HA LEU 50 20.581 4.629 29.687
345 HB2 LEU 50 HB2 LEU 50 22.052 2.890 31.313
346 HB3 LEU 50 HB1 LEU 50 22.589 3.636 29.810
347 HG LEU 50 HG LEU 50 23.407 5.602 31.118
348 HD11 LEU 50 HD11 LEU 50 22.863 5.869 33.296
349 HD12 LEU 50 HD12 LEU 50 23.473 4.263 33.688
350 HD13 LEU 50 HD13 LEU 50 21.808 4.464 33.150
351 HD21 LEU 50 HD21 LEU 50 24.423 2.838 31.807
352 HD22 LEU 50 HD22 LEU 50 25.269 4.305 32.297
353 HD23 LEU 50 HD23 LEU 50 25.043 3.947 30.585
354 H TRP 51 HN TRP 51 19.842 5.344 32.903
355 HA TRP 51 HA TRP 51 18.711 2.866 33.735
356 HB2 TRP 51 HB2 TRP 51 18.744 4.053 35.640
357 HB3 TRP 51 HB1 TRP 51 18.927 5.571 34.760
358 HD1 TRP 51 HD1 TRP 51 16.671 6.795 33.937
359 HE1 TRP 51 HE1 TRP 51 14.274 6.718 34.882
360 HE3 TRP 51 HE3 TRP 51 16.996 2.593 36.822
361 HZ2 TRP 51 HZ2 TRP 51 12.702 5.089 36.632
362 HZ3 TRP 51 HZ3 TRP 51 15.036 1.803 38.116
363 HH2 TRP 51 HH2 TRP 51 12.892 3.043 38.025
364 H THR 52 HN THR 52 17.372 5.766 32.188
365 HA THR 52 HA THR 52 14.670 4.885 32.189
366 HB THR 52 HB THR 52 16.192 6.960 30.628
367 HG1 THR 52 HG1 THR 52 15.606 7.957 32.369
368 HG21 THR 52 HG21 THR 52 13.417 5.902 30.183
369 HG22 THR 52 HG22 THR 52 14.626 6.389 28.995
370 HG23 THR 52 HG23 THR 52 13.752 7.613 29.915
371 H VAL 53 HN VAL 53 17.261 4.727 29.762
372 HA VAL 53 HA VAL 53 15.770 3.589 27.675
373 HB VAL 53 HB VAL 53 18.682 3.051 28.287
374 HG11 VAL 53 HG11 VAL 53 17.007 3.038 25.760
375 HG12 VAL 53 HG12 VAL 53 17.833 1.665 26.498
376 HG13 VAL 53 HG13 VAL 53 18.770 2.966 25.765
377 HG21 VAL 53 HG21 VAL 53 19.022 5.061 26.762
378 HG22 VAL 53 HG22 VAL 53 18.387 5.437 28.364
379 HG23 VAL 53 HG23 VAL 53 17.305 5.408 26.971
380 H PHE 54 HN PHE 54 17.612 2.057 30.298
381 HA PHE 54 HA PHE 54 17.318 -0.610 29.540
382 HB2 PHE 54 HB2 PHE 54 18.447 0.688 31.666
383 HB3 PHE 54 HB1 PHE 54 17.074 -0.111 32.430
384 HD1 PHE 54 HD2 PHE 54 16.697 -2.626 31.781
385 HD2 PHE 54 HD1 PHE 54 20.412 -0.528 31.275
386 HE1 PHE 54 HE2 PHE 54 17.909 -4.788 31.707
387 HE2 PHE 54 HE1 PHE 54 21.623 -2.691 31.202
388 HZ PHE 54 HZ PHE 54 20.371 -4.821 31.417
389 H ARG 55 HN ARG 55 15.097 1.528 31.257
390 HA ARG 55 HA ARG 55 13.196 -0.524 31.889
391 HB2 ARG 55 HB2 ARG 55 12.887 2.487 31.771
392 HB3 ARG 55 HB1 ARG 55 11.711 1.369 32.463
393 HG2 ARG 55 HG2 ARG 55 14.298 0.784 33.562
394 HG3 ARG 55 HG1 ARG 55 13.978 2.510 33.741
395 HD2 ARG 55 HD2 ARG 55 13.103 1.272 35.675
396 HD3 ARG 55 HD1 ARG 55 11.786 1.996 34.757
397 HE ARG 55 HE ARG 55 12.324 -0.683 33.893
398 HH11 ARG 55 HH21 ARG 55 10.844 1.249 36.353
399 HH12 ARG 55 HH22 ARG 55 9.671 0.050 36.784
400 HH21 ARG 55 HH11 ARG 55 10.789 -2.260 34.451
401 HH22 ARG 55 HH12 ARG 55 9.640 -1.938 35.707
402 H LYS 56 HN LYS 56 13.391 2.007 29.397
403 HA LYS 56 HA LYS 56 11.020 1.781 28.093
404 HB2 LYS 56 HB2 LYS 56 13.632 2.679 27.427
405 HB3 LYS 56 HB1 LYS 56 13.056 1.696 26.081
406 HG2 LYS 56 HG2 LYS 56 12.342 3.984 25.713
407 HG3 LYS 56 HG1 LYS 56 10.920 3.020 26.112
408 HD2 LYS 56 HD2 LYS 56 11.933 3.894 28.585
409 HD3 LYS 56 HD1 LYS 56 12.038 5.296 27.522
410 HE2 LYS 56 HE2 LYS 56 9.644 4.852 26.845
411 HE3 LYS 56 HE1 LYS 56 9.578 3.633 28.117
412 HZ1 LYS 56 HZ1 LYS 56 10.408 6.425 28.641
413 HZ2 LYS 56 HZ2 LYS 56 9.935 5.241 29.765
414 HZ3 LYS 56 HZ3 LYS 56 8.786 5.934 28.723
415 H LYS 57 HN LYS 57 13.857 -0.197 27.197
416 HA LYS 57 HA LYS 57 12.281 -2.021 25.650
417 HB2 LYS 57 HB2 LYS 57 15.107 -2.320 26.698
418 HB3 LYS 57 HB1 LYS 57 14.362 -3.291 25.427
419 HG2 LYS 57 HG2 LYS 57 14.773 -1.713 23.871
420 HG3 LYS 57 HG1 LYS 57 14.079 -0.447 24.884
421 HD2 LYS 57 HD2 LYS 57 16.152 -0.139 26.062
422 HD3 LYS 57 HD1 LYS 57 16.855 -1.576 25.316
423 HE2 LYS 57 HE2 LYS 57 15.872 0.286 23.307
424 HE3 LYS 57 HE1 LYS 57 17.057 1.049 24.367
425 HZ1 LYS 57 HZ1 LYS 57 18.410 0.069 22.830
426 HZ2 LYS 57 HZ2 LYS 57 17.371 -1.250 22.572
427 HZ3 LYS 57 HZ3 LYS 57 18.325 -1.177 23.977
428 H GLY 58 HN GLY 58 11.178 -1.820 28.212
429 HA2 GLY 58 HA2 GLY 58 11.930 -3.684 30.119
430 HA3 GLY 58 HA1 GLY 58 10.264 -3.202 29.814
431 H HIS 59 HN HIS 59 10.003 -4.165 27.180
432 HA HIS 59 HA HIS 59 9.265 -6.843 27.635
433 HB2 HIS 59 HB2 HIS 59 9.834 -5.635 24.927
434 HB3 HIS 59 HB1 HIS 59 8.699 -6.926 25.321
435 HD2 HIS 59 HD2 HIS 59 6.764 -5.741 27.491
436 HE1 HIS 59 HE1 HIS 59 6.633 -2.146 25.280
437 HE2 HIS 59 HE2 HIS 59 5.492 -3.494 27.105
438 H HIS 60 HN HIS 60 11.980 -5.517 25.733
439 HA HIS 60 HA HIS 60 13.869 -6.553 24.897
440 HB2 HIS 60 HB2 HIS 60 14.209 -6.253 27.444
441 HB3 HIS 60 HB1 HIS 60 13.960 -7.997 27.535
442 HD2 HIS 60 HD2 HIS 60 16.179 -5.932 24.932
443 HE1 HIS 60 HE1 HIS 60 18.510 -9.017 26.627
444 HE2 HIS 60 HE2 HIS 60 18.505 -7.117 24.941
445 H HIS 61 HN HIS 61 11.263 -7.998 24.562
446 HA HIS 61 HA HIS 61 12.151 -10.799 24.553
447 HB2 HIS 61 HB2 HIS 61 9.983 -11.336 24.820
448 HB3 HIS 61 HB1 HIS 61 9.704 -9.622 25.125
449 HD2 HIS 61 HD2 HIS 61 9.220 -8.163 22.511
450 HE1 HIS 61 HE1 HIS 61 7.447 -11.597 20.813
451 HE2 HIS 61 HE2 HIS 61 7.752 -9.089 20.561
452 H HIS 62 HN HIS 62 12.330 -8.183 22.559
453 HA HIS 62 HA HIS 62 11.478 -9.060 20.050
454 HB2 HIS 62 HB2 HIS 62 12.401 -6.764 20.723
455 HB3 HIS 62 HB1 HIS 62 14.001 -7.464 20.475
456 HD2 HIS 62 HD2 HIS 62 10.824 -6.531 18.324
457 HE1 HIS 62 HE1 HIS 62 14.004 -7.423 15.696
458 HE2 HIS 62 HE2 HIS 62 11.622 -6.557 15.838
459 H HIS 63 HN HIS 63 14.728 -9.355 21.501
460 HA HIS 63 HA HIS 63 15.905 -10.842 19.442
461 HB2 HIS 63 HB2 HIS 63 17.556 -11.533 21.126
462 HB3 HIS 63 HB1 HIS 63 17.189 -9.814 21.274
463 HD2 HIS 63 HD2 HIS 63 17.077 -9.331 23.991
464 HE1 HIS 63 HE1 HIS 63 14.893 -12.763 25.123
465 HE2 HIS 63 HE2 HIS 63 15.935 -10.604 25.964
466 H HIS 64 HN HIS 64 16.764 -13.180 19.953
467 HA HIS 64 HA HIS 64 16.193 -15.410 19.897
468 HB2 HIS 64 HB2 HIS 64 14.417 -14.781 22.252
469 HB3 HIS 64 HB1 HIS 64 15.293 -16.273 21.912
470 HD2 HIS 64 HD2 HIS 64 18.137 -14.345 21.190
471 HE1 HIS 64 HE1 HIS 64 17.941 -13.757 25.367
472 HE2 HIS 64 HE2 HIS 64 19.435 -13.572 23.321
Start of MODEL 34
1 H1 MET 1 HT1 MET 1 74.881 4.867 -1.171
2 H2 MET 1 HT2 MET 1 74.761 6.311 -0.284
3 H3 MET 1 HT3 MET 1 75.985 6.125 -1.448
4 HA MET 1 HA MET 1 74.518 7.380 -2.635
5 HB2 MET 1 HB2 MET 1 73.428 4.577 -3.030
6 HB3 MET 1 HB1 MET 1 73.370 5.902 -4.192
7 HG2 MET 1 HG2 MET 1 75.818 5.932 -4.318
8 HG3 MET 1 HG1 MET 1 75.913 4.659 -3.102
9 HE1 MET 1 HE1 MET 1 76.974 2.776 -4.056
10 HE2 MET 1 HE2 MET 1 76.045 1.601 -4.983
11 HE3 MET 1 HE3 MET 1 75.412 2.202 -3.453
12 H GLU 2 HN GLU 2 73.557 6.935 0.184
13 HA GLU 2 HA GLU 2 71.644 7.180 1.447
14 HB2 GLU 2 HB2 GLU 2 70.774 8.766 -0.981
15 HB3 GLU 2 HB1 GLU 2 70.145 8.927 0.660
16 HG2 GLU 2 HG2 GLU 2 71.810 10.338 1.191
17 HG3 GLU 2 HG1 GLU 2 73.007 9.123 0.745
18 H GLU 3 HN GLU 3 71.179 4.864 1.150
19 HA GLU 3 HA GLU 3 68.971 4.302 -0.714
20 HB2 GLU 3 HB2 GLU 3 70.875 2.545 0.829
21 HB3 GLU 3 HB1 GLU 3 69.422 1.900 0.065
22 HG2 GLU 3 HG2 GLU 3 71.238 3.646 -1.554
23 HG3 GLU 3 HG1 GLU 3 71.717 1.976 -1.258
24 H GLY 4 HN GLY 4 67.935 5.868 1.081
25 HA2 GLY 4 HA2 GLY 4 65.801 4.689 2.229
26 HA3 GLY 4 HA1 GLY 4 67.044 4.457 3.455
27 H GLY 5 HN GLY 5 68.466 6.762 3.383
28 HA2 GLY 5 HA2 GLY 5 68.295 9.138 3.542
29 HA3 GLY 5 HA1 GLY 5 66.545 8.974 3.668
30 H ASP 6 HN ASP 6 65.971 9.752 5.603
31 HA ASP 6 HA ASP 6 67.018 8.473 7.998
32 HB2 ASP 6 HB2 ASP 6 68.510 10.115 8.399
33 HB3 ASP 6 HB1 ASP 6 67.807 11.170 7.175
34 H PHE 7 HN PHE 7 65.623 8.626 9.758
35 HA PHE 7 HA PHE 7 62.918 9.546 9.082
36 HB2 PHE 7 HB2 PHE 7 63.673 7.205 10.135
37 HB3 PHE 7 HB1 PHE 7 63.488 8.120 11.632
38 HD1 PHE 7 HD2 PHE 7 61.294 9.437 11.965
39 HD2 PHE 7 HD1 PHE 7 61.782 6.352 9.017
40 HE1 PHE 7 HE2 PHE 7 58.831 9.192 11.814
41 HE2 PHE 7 HE1 PHE 7 59.319 6.107 8.865
42 HZ PHE 7 HZ PHE 7 57.843 7.528 10.264
43 H ASP 8 HN ASP 8 62.319 11.503 9.731
44 HA ASP 8 HA ASP 8 63.021 12.408 12.425
45 HB2 ASP 8 HB2 ASP 8 64.717 13.249 10.638
46 HB3 ASP 8 HB1 ASP 8 63.407 14.316 10.136
47 H ASN 9 HN ASN 9 60.564 11.496 11.517
48 HA ASN 9 HA ASN 9 58.940 13.875 11.926
49 HB2 ASN 9 HB2 ASN 9 59.341 13.474 9.382
50 HB3 ASN 9 HB1 ASN 9 58.215 12.133 9.591
51 HD21 ASN 9 HD21 ASN 9 56.019 12.720 10.520
52 HD22 ASN 9 HD22 ASN 9 55.401 14.271 10.212
53 H TYR 10 HN TYR 10 59.156 12.119 13.829
54 HA TYR 10 HA TYR 10 57.676 9.757 13.780
55 HB2 TYR 10 HB2 TYR 10 58.251 11.719 16.001
56 HB3 TYR 10 HB1 TYR 10 57.375 10.213 16.276
57 HD1 TYR 10 HD2 TYR 10 58.490 8.026 15.433
58 HD2 TYR 10 HD1 TYR 10 60.601 11.728 15.974
59 HE1 TYR 10 HE2 TYR 10 60.638 6.789 15.515
60 HE2 TYR 10 HE1 TYR 10 62.750 10.491 16.056
61 HH TYR 10 HH TYR 10 63.055 7.276 15.085
62 H TYR 11 HN TYR 11 56.436 12.447 15.695
63 HA TYR 11 HA TYR 11 53.745 11.723 15.427
64 HB2 TYR 11 HB2 TYR 11 54.687 14.548 15.901
65 HB3 TYR 11 HB1 TYR 11 53.227 13.768 16.509
66 HD1 TYR 11 HD2 TYR 11 53.509 11.755 18.089
67 HD2 TYR 11 HD1 TYR 11 56.689 14.487 17.151
68 HE1 TYR 11 HE2 TYR 11 54.743 11.012 20.107
69 HE2 TYR 11 HE1 TYR 11 57.922 13.743 19.169
70 HH TYR 11 HH TYR 11 56.682 11.115 21.217
71 H GLY 12 HN GLY 12 52.179 12.183 13.976
72 HA2 GLY 12 HA2 GLY 12 52.469 14.309 12.031
73 HA3 GLY 12 HA1 GLY 12 52.584 12.690 11.348
74 H ALA 13 HN ALA 13 50.496 14.890 13.157
75 HA ALA 13 HA ALA 13 48.191 13.181 13.059
76 HB1 ALA 13 HB1 ALA 13 48.687 15.107 14.709
77 HB2 ALA 13 HB2 ALA 13 47.037 14.939 14.110
78 HB3 ALA 13 HB3 ALA 13 48.102 16.167 13.426
79 H ASP 14 HN ASP 14 49.021 13.082 10.542
80 HA ASP 14 HA ASP 14 47.650 15.114 8.952
81 HB2 ASP 14 HB2 ASP 14 49.353 12.730 8.213
82 HB3 ASP 14 HB1 ASP 14 48.567 13.768 7.026
83 H ASN 15 HN ASN 15 45.653 14.165 10.224
84 HA ASN 15 HA ASN 15 44.355 12.254 8.389
85 HB2 ASN 15 HB2 ASN 15 44.557 12.124 11.379
86 HB3 ASN 15 HB1 ASN 15 43.137 11.470 10.565
87 HD21 ASN 15 HD21 ASN 15 43.666 9.228 10.962
88 HD22 ASN 15 HD22 ASN 15 45.004 8.477 10.237
89 H GLN 16 HN GLN 16 43.108 13.603 11.374
90 HA GLN 16 HA GLN 16 41.002 14.596 11.661
91 HB2 GLN 16 HB2 GLN 16 41.286 17.045 10.958
92 HB3 GLN 16 HB1 GLN 16 42.476 16.377 12.074
93 HG2 GLN 16 HG2 GLN 16 44.042 15.996 10.250
94 HG3 GLN 16 HG1 GLN 16 42.846 16.533 9.070
95 HE21 GLN 16 HE21 GLN 16 45.234 17.599 11.387
96 HE22 GLN 16 HE22 GLN 16 45.039 19.264 11.113
97 H SER 17 HN SER 17 40.597 12.949 9.534
98 HA SER 17 HA SER 17 38.796 14.573 7.878
99 HB2 SER 17 HB2 SER 17 41.139 13.041 6.925
100 HB3 SER 17 HB1 SER 17 39.651 12.807 6.014
101 HG SER 17 HG SER 17 41.172 14.677 5.522
102 H GLU 18 HN GLU 18 36.968 13.483 7.160
103 HA GLU 18 HA GLU 18 36.109 11.282 8.750
104 HB2 GLU 18 HB2 GLU 18 34.668 13.110 7.671
105 HB3 GLU 18 HB1 GLU 18 34.805 12.173 6.182
106 HG2 GLU 18 HG2 GLU 18 34.134 10.197 7.903
107 HG3 GLU 18 HG1 GLU 18 33.320 11.556 8.678
108 H CYS 19 HN CYS 19 37.557 9.575 8.411
109 HA CYS 19 HA CYS 19 36.912 7.870 6.192
110 HB2 CYS 19 HB2 CYS 19 38.994 7.819 5.070
111 HB3 CYS 19 HB1 CYS 19 38.633 9.533 5.272
112 HG CYS 19 HG CYS 19 40.189 9.008 7.629
113 H GLU 20 HN GLU 20 39.098 6.177 6.254
114 HA GLU 20 HA GLU 20 39.871 4.358 7.428
115 HB2 GLU 20 HB2 GLU 20 40.560 6.735 8.914
116 HB3 GLU 20 HB1 GLU 20 40.278 5.386 10.015
117 HG2 GLU 20 HG2 GLU 20 42.629 5.427 9.291
118 HG3 GLU 20 HG1 GLU 20 41.820 3.984 8.686
119 H TYR 21 HN TYR 21 36.944 5.565 7.880
120 HA TYR 21 HA TYR 21 36.182 4.257 10.348
121 HB2 TYR 21 HB2 TYR 21 34.137 5.281 10.085
122 HB3 TYR 21 HB1 TYR 21 35.132 6.363 9.113
123 HD1 TYR 21 HD1 TYR 21 35.304 5.935 6.600
124 HD2 TYR 21 HD2 TYR 21 32.372 4.042 9.104
125 HE1 TYR 21 HE1 TYR 21 33.947 5.388 4.598
126 HE2 TYR 21 HE2 TYR 21 31.015 3.496 7.102
127 HH TYR 21 HH TYR 21 30.718 4.055 4.876
128 H THR 22 HN THR 22 37.050 3.051 7.463
129 HA THR 22 HA THR 22 34.949 0.992 7.348
130 HB THR 22 HB THR 22 37.186 1.655 5.419
131 HG1 THR 22 HG1 THR 22 34.628 1.822 4.553
132 HG21 THR 22 HG21 THR 22 35.318 -0.623 5.659
133 HG22 THR 22 HG22 THR 22 36.867 -0.518 4.822
134 HG23 THR 22 HG23 THR 22 35.407 0.107 4.056
135 H ASP 23 HN ASP 23 38.422 1.437 7.792
136 HA ASP 23 HA ASP 23 38.744 -1.441 8.311
137 HB2 ASP 23 HB2 ASP 23 41.184 -0.888 8.324
138 HB3 ASP 23 HB1 ASP 23 40.383 -0.514 6.799
139 H TRP 24 HN TRP 24 37.433 0.602 10.121
140 HA TRP 24 HA TRP 24 38.971 1.310 12.300
141 HB2 TRP 24 HB2 TRP 24 36.726 0.776 13.595
142 HB3 TRP 24 HB1 TRP 24 36.816 2.113 12.454
143 HD1 TRP 24 HD1 TRP 24 36.695 -1.470 11.175
144 HE1 TRP 24 HE1 TRP 24 34.458 -1.844 9.953
145 HE3 TRP 24 HE3 TRP 24 34.311 2.893 12.344
146 HZ2 TRP 24 HZ2 TRP 24 31.983 -0.474 9.525
147 HZ3 TRP 24 HZ3 TRP 24 32.017 3.332 11.517
148 HH2 TRP 24 HH2 TRP 24 30.851 1.656 10.110
149 H LYS 25 HN LYS 25 36.711 -1.090 13.294
150 HA LYS 25 HA LYS 25 38.755 -2.517 14.732
151 HB2 LYS 25 HB2 LYS 25 36.734 -4.029 15.283
152 HB3 LYS 25 HB1 LYS 25 36.734 -2.377 15.897
153 HG2 LYS 25 HG2 LYS 25 34.996 -1.750 14.574
154 HG3 LYS 25 HG1 LYS 25 35.584 -2.682 13.195
155 HD2 LYS 25 HD2 LYS 25 34.775 -4.754 14.217
156 HD3 LYS 25 HD1 LYS 25 34.236 -3.861 15.637
157 HE2 LYS 25 HE2 LYS 25 33.218 -2.782 13.093
158 HE3 LYS 25 HE1 LYS 25 32.658 -4.415 13.455
159 HZ1 LYS 25 HZ1 LYS 25 31.923 -3.661 15.618
160 HZ2 LYS 25 HZ2 LYS 25 31.198 -2.727 14.398
161 HZ3 LYS 25 HZ3 LYS 25 32.492 -2.095 15.301
162 H SER 26 HN SER 26 36.229 -4.368 13.240
163 HA SER 26 HA SER 26 36.346 -6.312 12.005
164 HB2 SER 26 HB2 SER 26 37.198 -4.139 10.464
165 HB3 SER 26 HB1 SER 26 38.377 -5.408 10.142
166 HG SER 26 HG SER 26 36.881 -6.533 9.167
167 H SER 27 HN SER 27 38.430 -5.820 14.167
168 HA SER 27 HA SER 27 39.974 -8.196 13.643
169 HB2 SER 27 HB2 SER 27 41.720 -5.863 14.226
170 HB3 SER 27 HB1 SER 27 42.064 -7.327 13.310
171 HG SER 27 HG SER 27 40.513 -6.414 11.735
172 H GLY 28 HN GLY 28 38.086 -7.042 15.627
173 HA2 GLY 28 HA2 GLY 28 37.811 -7.454 17.901
174 HA3 GLY 28 HA1 GLY 28 39.519 -7.872 18.003
175 H ALA 29 HN ALA 29 39.610 -5.081 16.397
176 HA ALA 29 HA ALA 29 40.077 -2.896 16.932
177 HB1 ALA 29 HB1 ALA 29 38.424 -1.926 18.095
178 HB2 ALA 29 HB2 ALA 29 38.881 -2.781 19.568
179 HB3 ALA 29 HB3 ALA 29 37.790 -3.541 18.410
180 H LEU 30 HN LEU 30 42.176 -2.627 17.334
181 HA LEU 30 HA LEU 30 43.253 -3.516 19.941
182 HB2 LEU 30 HB2 LEU 30 44.795 -2.912 17.411
183 HB3 LEU 30 HB1 LEU 30 45.416 -3.655 18.885
184 HG LEU 30 HG LEU 30 43.283 -4.834 17.079
185 HD11 LEU 30 HD11 LEU 30 45.340 -5.094 15.946
186 HD12 LEU 30 HD12 LEU 30 45.155 -6.607 16.833
187 HD13 LEU 30 HD13 LEU 30 46.233 -5.354 17.445
188 HD21 LEU 30 HD21 LEU 30 44.451 -5.618 19.734
189 HD22 LEU 30 HD22 LEU 30 43.943 -6.878 18.611
190 HD23 LEU 30 HD23 LEU 30 42.775 -5.691 19.191
191 H ILE 31 HN ILE 31 41.802 -1.106 19.701
192 HA ILE 31 HA ILE 31 43.297 0.712 21.094
193 HB ILE 31 HB ILE 31 44.049 0.782 18.295
194 HG12 ILE 31 HG12 ILE 31 45.520 0.890 20.347
195 HG13 ILE 31 HG11 ILE 31 45.853 2.137 19.151
196 HG21 ILE 31 HG21 ILE 31 42.886 3.364 19.408
197 HG22 ILE 31 HG22 ILE 31 42.328 2.489 17.982
198 HG23 ILE 31 HG23 ILE 31 43.914 3.244 17.984
199 HD11 ILE 31 HD11 ILE 31 45.357 2.558 21.854
200 HD12 ILE 31 HD12 ILE 31 43.825 2.974 21.090
201 HD13 ILE 31 HD13 ILE 31 45.306 3.788 20.593
202 HA PRO 32 HA PRO 32 39.370 2.800 19.145
203 HB2 PRO 32 HB2 PRO 32 37.936 0.498 17.989
204 HB3 PRO 32 HB1 PRO 32 38.268 2.087 17.278
205 HG2 PRO 32 HG2 PRO 32 39.486 -0.149 16.432
206 HG3 PRO 32 HG1 PRO 32 40.288 1.432 16.427
207 HD2 PRO 32 HD2 PRO 32 40.608 -0.839 18.364
208 HD3 PRO 32 HD1 PRO 32 41.844 0.252 17.698
209 H ALA 33 HN ALA 33 39.710 -0.166 20.789
210 HA ALA 33 HA ALA 33 37.060 -0.280 21.927
211 HB1 ALA 33 HB1 ALA 33 39.567 -1.835 22.125
212 HB2 ALA 33 HB2 ALA 33 37.894 -2.391 22.049
213 HB3 ALA 33 HB3 ALA 33 38.566 -1.820 23.577
214 H ILE 34 HN ILE 34 40.176 1.071 22.802
215 HA ILE 34 HA ILE 34 39.387 1.695 25.514
216 HB ILE 34 HB ILE 34 41.786 2.373 23.817
217 HG12 ILE 34 HG12 ILE 34 41.965 1.079 26.483
218 HG13 ILE 34 HG11 ILE 34 41.179 0.127 25.222
219 HG21 ILE 34 HG21 ILE 34 41.642 4.323 25.107
220 HG22 ILE 34 HG22 ILE 34 42.625 3.274 26.130
221 HG23 ILE 34 HG23 ILE 34 40.907 3.481 26.471
222 HD11 ILE 34 HD11 ILE 34 43.795 1.516 24.679
223 HD12 ILE 34 HD12 ILE 34 43.092 0.124 23.857
224 HD13 ILE 34 HD13 ILE 34 43.764 -0.056 25.478
225 H TYR 35 HN TYR 35 39.195 3.182 22.400
226 HA TYR 35 HA TYR 35 39.073 5.897 23.114
227 HB2 TYR 35 HB2 TYR 35 38.705 4.357 20.775
228 HB3 TYR 35 HB1 TYR 35 37.238 5.314 20.976
229 HD1 TYR 35 HD1 TYR 35 37.909 7.810 22.030
230 HD2 TYR 35 HD2 TYR 35 40.280 5.385 19.394
231 HE1 TYR 35 HE1 TYR 35 39.111 9.834 21.248
232 HE2 TYR 35 HE2 TYR 35 41.481 7.407 18.612
233 HH TYR 35 HH TYR 35 41.978 9.667 19.400
234 H MET 36 HN MET 36 36.382 3.620 22.534
235 HA MET 36 HA MET 36 34.355 5.371 23.448
236 HB2 MET 36 HB2 MET 36 34.397 2.347 23.307
237 HB3 MET 36 HB1 MET 36 32.954 3.331 23.552
238 HG2 MET 36 HG2 MET 36 34.328 4.405 21.308
239 HG3 MET 36 HG1 MET 36 34.247 2.657 21.084
240 HE1 MET 36 HE1 MET 36 30.926 5.750 21.228
241 HE2 MET 36 HE2 MET 36 32.420 5.855 20.300
242 HE3 MET 36 HE3 MET 36 32.485 5.817 22.060
243 H LEU 37 HN LEU 37 36.152 2.761 25.051
244 HA LEU 37 HA LEU 37 34.846 2.740 27.505
245 HB2 LEU 37 HB2 LEU 37 37.176 1.601 26.422
246 HB3 LEU 37 HB1 LEU 37 37.701 2.471 27.865
247 HG LEU 37 HG LEU 37 35.831 1.355 29.130
248 HD11 LEU 37 HD11 LEU 37 34.282 0.148 28.029
249 HD12 LEU 37 HD12 LEU 37 35.533 -0.871 27.316
250 HD13 LEU 37 HD13 LEU 37 35.046 0.621 26.512
251 HD21 LEU 37 HD21 LEU 37 38.269 0.143 28.059
252 HD22 LEU 37 HD22 LEU 37 37.064 -1.065 28.510
253 HD23 LEU 37 HD23 LEU 37 37.630 0.105 29.702
254 H VAL 38 HN VAL 38 36.526 5.275 26.068
255 HA VAL 38 HA VAL 38 37.062 6.579 28.664
256 HB VAL 38 HB VAL 38 38.167 7.095 25.899
257 HG11 VAL 38 HG11 VAL 38 38.185 8.733 28.412
258 HG12 VAL 38 HG12 VAL 38 38.051 9.264 26.736
259 HG13 VAL 38 HG13 VAL 38 39.611 8.746 27.375
260 HG21 VAL 38 HG21 VAL 38 39.961 6.728 28.198
261 HG22 VAL 38 HG22 VAL 38 40.005 5.966 26.607
262 HG23 VAL 38 HG23 VAL 38 38.953 5.319 27.866
263 H PHE 39 HN PHE 39 34.944 6.534 26.020
264 HA PHE 39 HA PHE 39 34.171 9.345 26.303
265 HB2 PHE 39 HB2 PHE 39 34.322 7.889 24.087
266 HB3 PHE 39 HB1 PHE 39 32.681 7.442 24.553
267 HD1 PHE 39 HD1 PHE 39 34.894 10.421 24.068
268 HD2 PHE 39 HD2 PHE 39 30.884 8.882 24.085
269 HE1 PHE 39 HE1 PHE 39 34.057 12.593 23.209
270 HE2 PHE 39 HE2 PHE 39 30.046 11.052 23.227
271 HZ PHE 39 HZ PHE 39 31.632 12.908 22.789
272 H LEU 40 HN LEU 40 32.969 6.099 26.958
273 HA LEU 40 HA LEU 40 30.468 7.178 28.039
274 HB2 LEU 40 HB2 LEU 40 29.831 4.790 28.286
275 HB3 LEU 40 HB1 LEU 40 30.260 5.210 26.629
276 HG LEU 40 HG LEU 40 32.698 4.461 27.674
277 HD11 LEU 40 HD11 LEU 40 32.441 2.527 29.021
278 HD12 LEU 40 HD12 LEU 40 30.714 2.419 28.681
279 HD13 LEU 40 HD13 LEU 40 31.328 3.700 29.726
280 HD21 LEU 40 HD21 LEU 40 32.353 2.386 26.370
281 HD22 LEU 40 HD22 LEU 40 31.746 3.795 25.500
282 HD23 LEU 40 HD23 LEU 40 30.621 2.711 26.319
283 H LEU 41 HN LEU 41 33.562 6.124 29.071
284 HA LEU 41 HA LEU 41 33.267 4.996 31.523
285 HB2 LEU 41 HB2 LEU 41 35.302 6.416 30.198
286 HB3 LEU 41 HB1 LEU 41 35.137 7.178 31.780
287 HG LEU 41 HG LEU 41 35.464 4.201 31.296
288 HD11 LEU 41 HD11 LEU 41 37.503 5.597 30.852
289 HD12 LEU 41 HD12 LEU 41 37.698 4.490 32.210
290 HD13 LEU 41 HD13 LEU 41 37.397 6.202 32.505
291 HD21 LEU 41 HD21 LEU 41 34.545 5.763 33.561
292 HD22 LEU 41 HD22 LEU 41 36.035 4.910 33.964
293 HD23 LEU 41 HD23 LEU 41 34.632 4.010 33.385
294 H GLY 42 HN GLY 42 33.191 8.519 30.934
295 HA2 GLY 42 HA2 GLY 42 31.094 8.938 32.837
296 HA3 GLY 42 HA1 GLY 42 32.659 9.418 33.485
297 H THR 43 HN THR 43 31.200 9.681 30.240
298 HA THR 43 HA THR 43 31.432 12.614 30.429
299 HB THR 43 HB THR 43 32.839 12.808 28.665
300 HG1 THR 43 HG1 THR 43 31.423 10.596 27.619
301 HG21 THR 43 HG21 THR 43 34.426 10.981 28.461
302 HG22 THR 43 HG22 THR 43 33.254 9.842 29.122
303 HG23 THR 43 HG23 THR 43 33.927 11.109 30.148
304 H THR 44 HN THR 44 30.342 9.979 28.276
305 HA THR 44 HA THR 44 28.124 11.613 27.334
306 HB THR 44 HB THR 44 28.872 8.751 26.683
307 HG1 THR 44 HG1 THR 44 29.173 10.634 24.760
308 HG21 THR 44 HG21 THR 44 26.865 8.694 25.668
309 HG22 THR 44 HG22 THR 44 27.432 9.973 24.596
310 HG23 THR 44 HG23 THR 44 26.561 10.383 26.074
311 H GLY 45 HN GLY 45 27.276 8.367 27.433
312 HA2 GLY 45 HA2 GLY 45 25.069 8.856 29.195
313 HA3 GLY 45 HA1 GLY 45 25.492 7.314 28.456
314 H ASN 46 HN ASN 46 27.664 6.403 29.390
315 HA ASN 46 HA ASN 46 28.699 5.425 31.191
316 HB2 ASN 46 HB2 ASN 46 28.117 7.660 33.031
317 HB3 ASN 46 HB1 ASN 46 29.656 6.902 32.627
318 HD21 ASN 46 HD21 ASN 46 28.823 9.850 32.661
319 HD22 ASN 46 HD22 ASN 46 29.243 10.418 31.118
320 H GLY 47 HN GLY 47 27.768 3.769 32.192
321 HA2 GLY 47 HA2 GLY 47 26.505 2.629 33.769
322 HA3 GLY 47 HA1 GLY 47 25.884 4.177 34.336
323 H LEU 48 HN LEU 48 25.128 4.870 31.501
324 HA LEU 48 HA LEU 48 22.564 3.423 31.505
325 HB2 LEU 48 HB2 LEU 48 23.233 6.142 31.193
326 HB3 LEU 48 HB1 LEU 48 22.701 5.590 29.604
327 HG LEU 48 HG LEU 48 21.177 5.187 32.194
328 HD11 LEU 48 HD11 LEU 48 19.545 6.719 30.807
329 HD12 LEU 48 HD12 LEU 48 21.022 7.205 29.975
330 HD13 LEU 48 HD13 LEU 48 20.868 7.450 31.714
331 HD21 LEU 48 HD21 LEU 48 21.023 3.947 29.580
332 HD22 LEU 48 HD22 LEU 48 19.539 4.832 29.927
333 HD23 LEU 48 HD23 LEU 48 20.098 3.580 31.035
334 H VAL 49 HN VAL 49 25.236 4.370 29.372
335 HA VAL 49 HA VAL 49 24.253 3.244 26.991
336 HB VAL 49 HB VAL 49 27.056 3.756 27.987
337 HG11 VAL 49 HG11 VAL 49 26.077 2.499 25.433
338 HG12 VAL 49 HG12 VAL 49 27.443 2.030 26.445
339 HG13 VAL 49 HG13 VAL 49 27.547 3.473 25.436
340 HG21 VAL 49 HG21 VAL 49 26.003 5.118 25.602
341 HG22 VAL 49 HG22 VAL 49 26.802 5.797 27.021
342 HG23 VAL 49 HG23 VAL 49 25.074 5.446 27.065
343 H LEU 50 HN LEU 50 25.427 1.771 29.853
344 HA LEU 50 HA LEU 50 26.071 -0.754 28.521
345 HB2 LEU 50 HB2 LEU 50 26.110 -0.086 31.473
346 HB3 LEU 50 HB1 LEU 50 26.827 -1.499 30.698
347 HG LEU 50 HG LEU 50 27.912 0.618 29.271
348 HD11 LEU 50 HD11 LEU 50 27.915 1.311 32.225
349 HD12 LEU 50 HD12 LEU 50 26.986 2.170 30.995
350 HD13 LEU 50 HD13 LEU 50 28.749 2.189 30.943
351 HD21 LEU 50 HD21 LEU 50 29.133 -1.366 29.975
352 HD22 LEU 50 HD22 LEU 50 28.980 -0.905 31.669
353 HD23 LEU 50 HD23 LEU 50 29.981 0.056 30.581
354 H TRP 51 HN TRP 51 23.460 0.796 30.128
355 HA TRP 51 HA TRP 51 22.100 -1.470 31.153
356 HB2 TRP 51 HB2 TRP 51 20.791 0.162 31.947
357 HB3 TRP 51 HB1 TRP 51 21.634 1.338 30.937
358 HD1 TRP 51 HD1 TRP 51 20.697 1.569 28.356
359 HE1 TRP 51 HE1 TRP 51 18.276 1.404 27.487
360 HE3 TRP 51 HE3 TRP 51 18.519 -0.877 32.274
361 HZ2 TRP 51 HZ2 TRP 51 15.748 0.372 28.341
362 HZ3 TRP 51 HZ3 TRP 51 16.106 -1.439 32.221
363 HH2 TRP 51 HH2 TRP 51 14.719 -0.818 30.260
364 H THR 52 HN THR 52 22.242 0.016 27.977
365 HA THR 52 HA THR 52 20.020 -1.402 26.867
366 HB THR 52 HB THR 52 22.309 0.177 25.729
367 HG1 THR 52 HG1 THR 52 19.627 0.532 25.098
368 HG21 THR 52 HG21 THR 52 21.041 -0.238 23.493
369 HG22 THR 52 HG22 THR 52 20.431 -1.686 24.295
370 HG23 THR 52 HG23 THR 52 22.166 -1.470 24.063
371 H VAL 53 HN VAL 53 23.515 -1.952 26.983
372 HA VAL 53 HA VAL 53 23.523 -4.228 25.273
373 HB VAL 53 HB VAL 53 25.517 -3.696 27.474
374 HG11 VAL 53 HG11 VAL 53 25.709 -4.896 24.693
375 HG12 VAL 53 HG12 VAL 53 25.756 -5.792 26.211
376 HG13 VAL 53 HG13 VAL 53 27.063 -4.680 25.803
377 HG21 VAL 53 HG21 VAL 53 25.201 -2.338 24.782
378 HG22 VAL 53 HG22 VAL 53 26.701 -2.309 25.709
379 HG23 VAL 53 HG23 VAL 53 25.241 -1.572 26.369
380 H PHE 54 HN PHE 54 22.721 -3.739 28.605
381 HA PHE 54 HA PHE 54 22.881 -6.603 29.207
382 HB2 PHE 54 HB2 PHE 54 23.102 -4.211 30.740
383 HB3 PHE 54 HB1 PHE 54 21.710 -5.112 31.340
384 HD1 PHE 54 HD1 PHE 54 22.035 -7.643 31.784
385 HD2 PHE 54 HD2 PHE 54 25.283 -4.870 31.324
386 HE1 PHE 54 HE1 PHE 54 23.557 -9.236 32.923
387 HE2 PHE 54 HE2 PHE 54 26.805 -6.463 32.464
388 HZ PHE 54 HZ PHE 54 25.941 -8.646 33.262
389 H ARG 55 HN ARG 55 20.772 -4.740 27.615
390 HA ARG 55 HA ARG 55 18.357 -5.898 28.844
391 HB2 ARG 55 HB2 ARG 55 18.859 -3.559 27.028
392 HB3 ARG 55 HB1 ARG 55 17.260 -4.303 27.091
393 HG2 ARG 55 HG2 ARG 55 18.567 -3.722 29.702
394 HG3 ARG 55 HG1 ARG 55 17.998 -2.334 28.774
395 HD2 ARG 55 HD2 ARG 55 16.353 -3.514 30.434
396 HD3 ARG 55 HD1 ARG 55 15.771 -3.030 28.844
397 HE ARG 55 HE ARG 55 16.624 -5.572 28.419
398 HH11 ARG 55 HH21 ARG 55 14.603 -4.071 30.793
399 HH12 ARG 55 HH22 ARG 55 13.619 -5.473 31.044
400 HH21 ARG 55 HH11 ARG 55 15.338 -7.417 28.743
401 HH22 ARG 55 HH12 ARG 55 14.035 -7.368 29.883
402 H LYS 56 HN LYS 56 19.816 -5.396 25.624
403 HA LYS 56 HA LYS 56 18.044 -7.145 24.266
404 HB2 LYS 56 HB2 LYS 56 19.663 -7.018 22.421
405 HB3 LYS 56 HB1 LYS 56 19.353 -5.420 23.100
406 HG2 LYS 56 HG2 LYS 56 21.428 -6.158 24.659
407 HG3 LYS 56 HG1 LYS 56 21.821 -7.074 23.204
408 HD2 LYS 56 HD2 LYS 56 21.319 -4.825 21.963
409 HD3 LYS 56 HD1 LYS 56 21.571 -4.098 23.550
410 HE2 LYS 56 HE2 LYS 56 23.724 -5.721 23.471
411 HE3 LYS 56 HE1 LYS 56 23.525 -5.424 21.744
412 HZ1 LYS 56 HZ1 LYS 56 23.172 -2.988 23.007
413 HZ2 LYS 56 HZ2 LYS 56 24.492 -3.473 22.052
414 HZ3 LYS 56 HZ3 LYS 56 24.532 -3.692 23.737
415 H LYS 57 HN LYS 57 21.227 -7.599 25.743
416 HA LYS 57 HA LYS 57 21.378 -10.372 24.908
417 HB2 LYS 57 HB2 LYS 57 23.116 -8.560 26.566
418 HB3 LYS 57 HB1 LYS 57 23.403 -10.299 26.525
419 HG2 LYS 57 HG2 LYS 57 24.117 -10.269 24.351
420 HG3 LYS 57 HG1 LYS 57 22.998 -8.985 23.893
421 HD2 LYS 57 HD2 LYS 57 25.347 -8.203 23.829
422 HD3 LYS 57 HD1 LYS 57 24.408 -7.328 25.040
423 HE2 LYS 57 HE2 LYS 57 25.780 -9.809 25.946
424 HE3 LYS 57 HE1 LYS 57 26.803 -8.416 25.598
425 HZ1 LYS 57 HZ1 LYS 57 25.101 -8.867 27.815
426 HZ2 LYS 57 HZ2 LYS 57 24.637 -7.446 27.007
427 HZ3 LYS 57 HZ3 LYS 57 26.230 -7.625 27.571
428 H GLY 58 HN GLY 58 19.059 -10.303 26.132
429 HA2 GLY 58 HA2 GLY 58 19.401 -10.967 28.968
430 HA3 GLY 58 HA1 GLY 58 17.868 -10.732 28.133
431 H HIS 59 HN HIS 59 20.635 -12.940 28.397
432 HA HIS 59 HA HIS 59 18.808 -15.210 28.145
433 HB2 HIS 59 HB2 HIS 59 21.046 -14.601 26.227
434 HB3 HIS 59 HB1 HIS 59 20.525 -16.261 26.520
435 HD2 HIS 59 HD2 HIS 59 19.281 -13.074 24.657
436 HE1 HIS 59 HE1 HIS 59 16.296 -16.029 24.237
437 HE2 HIS 59 HE2 HIS 59 17.054 -13.731 23.464
438 H HIS 60 HN HIS 60 22.326 -15.085 27.781
439 HA HIS 60 HA HIS 60 22.889 -17.140 29.566
440 HB2 HIS 60 HB2 HIS 60 24.520 -14.803 28.592
441 HB3 HIS 60 HB1 HIS 60 25.188 -15.987 29.716
442 HD2 HIS 60 HD2 HIS 60 26.759 -17.492 27.969
443 HE1 HIS 60 HE1 HIS 60 23.757 -18.326 25.120
444 HE2 HIS 60 HE2 HIS 60 26.152 -18.821 25.804
445 H HIS 61 HN HIS 61 24.074 -16.966 31.653
446 HA HIS 61 HA HIS 61 22.739 -14.985 33.375
447 HB2 HIS 61 HB2 HIS 61 24.086 -17.623 33.987
448 HB3 HIS 61 HB1 HIS 61 23.480 -16.522 35.225
449 HD2 HIS 61 HD2 HIS 61 21.940 -18.555 32.165
450 HE1 HIS 61 HE1 HIS 61 18.905 -17.809 35.003
451 HE2 HIS 61 HE2 HIS 61 19.444 -18.969 32.809
452 H HIS 62 HN HIS 62 24.175 -13.255 32.805
453 HA HIS 62 HA HIS 62 26.966 -13.315 32.991
454 HB2 HIS 62 HB2 HIS 62 25.038 -11.046 33.530
455 HB3 HIS 62 HB1 HIS 62 26.781 -10.852 33.355
456 HD2 HIS 62 HD2 HIS 62 27.768 -11.301 30.692
457 HE1 HIS 62 HE1 HIS 62 23.953 -11.436 28.889
458 HE2 HIS 62 HE2 HIS 62 26.448 -11.307 28.439
459 H HIS 63 HN HIS 63 27.436 -14.642 34.827
460 HA HIS 63 HA HIS 63 26.632 -14.289 37.441
461 HB2 HIS 63 HB2 HIS 63 28.716 -15.361 38.100
462 HB3 HIS 63 HB1 HIS 63 28.100 -16.127 36.637
463 HD2 HIS 63 HD2 HIS 63 31.384 -16.124 37.184
464 HE1 HIS 63 HE1 HIS 63 31.479 -13.232 34.109
465 HE2 HIS 63 HE2 HIS 63 32.879 -14.878 35.444
466 H HIS 64 HN HIS 64 28.164 -13.486 39.250
467 HA HIS 64 HA HIS 64 28.282 -10.702 39.184
468 HB2 HIS 64 HB2 HIS 64 29.754 -10.922 41.192
469 HB3 HIS 64 HB1 HIS 64 28.290 -11.900 41.288
470 HD2 HIS 64 HD2 HIS 64 31.370 -12.715 42.669
471 HE1 HIS 64 HE1 HIS 64 30.967 -15.989 40.033
472 HE2 HIS 64 HE2 HIS 64 32.207 -15.115 42.070
Start of MODEL 35
1 H1 MET 1 HT1 MET 1 56.469 -19.396 -28.121
2 H2 MET 1 HT2 MET 1 57.363 -18.198 -28.931
3 H3 MET 1 HT3 MET 1 57.817 -18.691 -27.370
4 HA MET 1 HA MET 1 57.705 -20.928 -29.102
5 HB2 MET 1 HB2 MET 1 58.738 -18.463 -30.236
6 HB3 MET 1 HB1 MET 1 60.013 -19.675 -30.101
7 HG2 MET 1 HG2 MET 1 58.843 -19.892 -32.256
8 HG3 MET 1 HG1 MET 1 58.569 -21.318 -31.255
9 HE1 MET 1 HE1 MET 1 56.868 -19.608 -33.797
10 HE2 MET 1 HE2 MET 1 57.304 -18.182 -32.860
11 HE3 MET 1 HE3 MET 1 55.606 -18.571 -33.117
12 H GLU 2 HN GLU 2 59.527 -22.266 -28.658
13 HA GLU 2 HA GLU 2 60.894 -21.537 -26.158
14 HB2 GLU 2 HB2 GLU 2 60.748 -24.236 -27.523
15 HB3 GLU 2 HB1 GLU 2 61.315 -23.902 -25.886
16 HG2 GLU 2 HG2 GLU 2 59.190 -24.320 -25.235
17 HG3 GLU 2 HG1 GLU 2 58.806 -22.739 -25.911
18 H GLU 3 HN GLU 3 62.512 -20.186 -27.008
19 HA GLU 3 HA GLU 3 64.682 -21.651 -28.355
20 HB2 GLU 3 HB2 GLU 3 63.610 -20.433 -30.144
21 HB3 GLU 3 HB1 GLU 3 63.589 -18.954 -29.183
22 HG2 GLU 3 HG2 GLU 3 65.788 -18.509 -29.579
23 HG3 GLU 3 HG1 GLU 3 66.249 -20.208 -29.493
24 H GLY 4 HN GLY 4 65.402 -21.666 -26.072
25 HA2 GLY 4 HA2 GLY 4 67.550 -20.229 -25.451
26 HA3 GLY 4 HA1 GLY 4 66.281 -19.100 -24.984
27 H GLY 5 HN GLY 5 64.376 -20.757 -23.919
28 HA2 GLY 5 HA2 GLY 5 63.815 -22.057 -22.087
29 HA3 GLY 5 HA1 GLY 5 65.481 -22.623 -22.031
30 H ASP 6 HN ASP 6 64.100 -22.041 -19.702
31 HA ASP 6 HA ASP 6 65.741 -19.864 -18.642
32 HB2 ASP 6 HB2 ASP 6 62.749 -19.871 -18.741
33 HB3 ASP 6 HB1 ASP 6 63.558 -19.163 -17.343
34 H PHE 7 HN PHE 7 66.625 -20.467 -16.771
35 HA PHE 7 HA PHE 7 66.497 -22.921 -15.612
36 HB2 PHE 7 HB2 PHE 7 67.203 -20.221 -14.620
37 HB3 PHE 7 HB1 PHE 7 66.889 -21.441 -13.385
38 HD1 PHE 7 HD1 PHE 7 68.934 -20.663 -16.389
39 HD2 PHE 7 HD2 PHE 7 68.409 -23.243 -12.995
40 HE1 PHE 7 HE1 PHE 7 71.168 -21.659 -16.801
41 HE2 PHE 7 HE2 PHE 7 70.642 -24.239 -13.408
42 HZ PHE 7 HZ PHE 7 72.022 -23.447 -15.310
43 H ASP 8 HN ASP 8 65.482 -23.754 -13.679
44 HA ASP 8 HA ASP 8 62.944 -22.475 -12.927
45 HB2 ASP 8 HB2 ASP 8 62.412 -24.096 -14.707
46 HB3 ASP 8 HB1 ASP 8 63.197 -25.370 -13.776
47 H ASN 9 HN ASN 9 65.064 -22.314 -11.314
48 HA ASN 9 HA ASN 9 64.356 -24.147 -9.130
49 HB2 ASN 9 HB2 ASN 9 66.460 -24.904 -10.435
50 HB3 ASN 9 HB1 ASN 9 67.244 -23.516 -9.683
51 HD21 ASN 9 HD21 ASN 9 65.181 -26.323 -8.722
52 HD22 ASN 9 HD22 ASN 9 65.983 -26.585 -7.249
53 H TYR 10 HN TYR 10 63.513 -21.523 -9.404
54 HA TYR 10 HA TYR 10 65.230 -19.667 -8.094
55 HB2 TYR 10 HB2 TYR 10 62.263 -19.683 -8.648
56 HB3 TYR 10 HB1 TYR 10 63.078 -18.345 -7.837
57 HD1 TYR 10 HD1 TYR 10 63.196 -20.435 -10.937
58 HD2 TYR 10 HD2 TYR 10 64.183 -16.685 -9.089
59 HE1 TYR 10 HE1 TYR 10 63.920 -19.543 -13.135
60 HE2 TYR 10 HE2 TYR 10 64.905 -15.792 -11.287
61 HH TYR 10 HH TYR 10 65.776 -17.368 -13.713
62 H TYR 11 HN TYR 11 65.134 -22.066 -6.613
63 HA TYR 11 HA TYR 11 63.335 -22.102 -4.470
64 HB2 TYR 11 HB2 TYR 11 65.995 -23.255 -5.043
65 HB3 TYR 11 HB1 TYR 11 65.589 -23.098 -3.333
66 HD1 TYR 11 HD1 TYR 11 63.377 -23.738 -6.281
67 HD2 TYR 11 HD2 TYR 11 65.005 -25.259 -2.609
68 HE1 TYR 11 HE1 TYR 11 61.899 -25.722 -6.448
69 HE2 TYR 11 HE2 TYR 11 63.526 -27.243 -2.775
70 HH TYR 11 HH TYR 11 62.065 -28.222 -5.483
71 H GLY 12 HN GLY 12 63.091 -20.875 -2.709
72 HA2 GLY 12 HA2 GLY 12 64.903 -19.746 -1.041
73 HA3 GLY 12 HA1 GLY 12 64.786 -18.558 -2.335
74 H ALA 13 HN ALA 13 62.858 -20.369 0.028
75 HA ALA 13 HA ALA 13 61.304 -18.034 0.668
76 HB1 ALA 13 HB1 ALA 13 59.708 -20.332 -0.433
77 HB2 ALA 13 HB2 ALA 13 60.286 -19.046 -1.493
78 HB3 ALA 13 HB3 ALA 13 59.202 -18.666 -0.154
79 H ASP 14 HN ASP 14 62.817 -19.284 2.401
80 HA ASP 14 HA ASP 14 60.901 -20.733 4.102
81 HB2 ASP 14 HB2 ASP 14 62.590 -22.364 4.740
82 HB3 ASP 14 HB1 ASP 14 62.358 -22.407 2.992
83 H ASN 15 HN ASN 15 61.460 -18.056 4.349
84 HA ASN 15 HA ASN 15 62.912 -18.013 6.906
85 HB2 ASN 15 HB2 ASN 15 63.428 -16.235 4.527
86 HB3 ASN 15 HB1 ASN 15 63.843 -15.740 6.167
87 HD21 ASN 15 HD21 ASN 15 65.899 -16.121 4.247
88 HD22 ASN 15 HD22 ASN 15 66.801 -17.494 4.675
89 H GLN 16 HN GLN 16 60.060 -17.756 5.675
90 HA GLN 16 HA GLN 16 59.215 -15.106 6.410
91 HB2 GLN 16 HB2 GLN 16 56.922 -16.056 6.099
92 HB3 GLN 16 HB1 GLN 16 57.977 -16.297 4.707
93 HG2 GLN 16 HG2 GLN 16 58.297 -18.484 6.561
94 HG3 GLN 16 HG1 GLN 16 56.591 -18.282 6.167
95 HE21 GLN 16 HE21 GLN 16 59.262 -19.940 5.150
96 HE22 GLN 16 HE22 GLN 16 58.898 -20.088 3.499
97 H SER 17 HN SER 17 60.388 -15.428 8.585
98 HA SER 17 HA SER 17 59.101 -17.036 10.579
99 HB2 SER 17 HB2 SER 17 61.135 -14.812 10.697
100 HB3 SER 17 HB1 SER 17 60.495 -15.577 12.148
101 HG SER 17 HG SER 17 62.486 -16.426 10.802
102 H GLU 18 HN GLU 18 57.171 -15.504 9.252
103 HA GLU 18 HA GLU 18 55.945 -14.174 11.507
104 HB2 GLU 18 HB2 GLU 18 57.163 -12.270 10.792
105 HB3 GLU 18 HB1 GLU 18 56.862 -12.620 9.089
106 HG2 GLU 18 HG2 GLU 18 54.602 -11.970 9.228
107 HG3 GLU 18 HG1 GLU 18 54.578 -12.106 10.985
108 H CYS 19 HN CYS 19 53.728 -14.053 11.312
109 HA CYS 19 HA CYS 19 52.431 -14.518 8.759
110 HB2 CYS 19 HB2 CYS 19 52.467 -16.597 10.944
111 HB3 CYS 19 HB1 CYS 19 51.167 -16.516 9.755
112 HG CYS 19 HG CYS 19 54.045 -17.434 9.196
113 H GLU 20 HN GLU 20 51.779 -12.335 9.552
114 HA GLU 20 HA GLU 20 50.234 -10.902 10.471
115 HB2 GLU 20 HB2 GLU 20 48.715 -13.492 10.272
116 HB3 GLU 20 HB1 GLU 20 47.963 -12.050 10.956
117 HG2 GLU 20 HG2 GLU 20 47.519 -12.241 8.526
118 HG3 GLU 20 HG1 GLU 20 48.454 -10.795 8.906
119 H TYR 21 HN TYR 21 51.958 -12.867 12.224
120 HA TYR 21 HA TYR 21 50.441 -12.658 14.731
121 HB2 TYR 21 HB2 TYR 21 51.412 -14.641 15.116
122 HB3 TYR 21 HB1 TYR 21 52.428 -14.474 13.684
123 HD1 TYR 21 HD2 TYR 21 54.657 -13.457 13.824
124 HD2 TYR 21 HD1 TYR 21 52.203 -13.950 17.316
125 HE1 TYR 21 HE2 TYR 21 56.625 -13.023 15.269
126 HE2 TYR 21 HE1 TYR 21 54.171 -13.515 18.761
127 HH TYR 21 HH TYR 21 57.009 -13.845 18.147
128 H THR 22 HN THR 22 52.678 -10.903 12.955
129 HA THR 22 HA THR 22 53.996 -9.750 15.311
130 HB THR 22 HB THR 22 54.455 -9.189 12.371
131 HG1 THR 22 HG1 THR 22 56.341 -10.490 12.801
132 HG21 THR 22 HG21 THR 22 56.662 -8.333 13.333
133 HG22 THR 22 HG22 THR 22 55.884 -8.399 14.915
134 HG23 THR 22 HG23 THR 22 55.240 -7.341 13.658
135 H ASP 23 HN ASP 23 51.609 -9.037 12.870
136 HA ASP 23 HA ASP 23 51.519 -6.203 13.442
137 HB2 ASP 23 HB2 ASP 23 50.069 -6.051 11.675
138 HB3 ASP 23 HB1 ASP 23 50.823 -7.591 11.265
139 H TRP 24 HN TRP 24 50.150 -9.065 14.749
140 HA TRP 24 HA TRP 24 47.696 -8.189 15.738
141 HB2 TRP 24 HB2 TRP 24 47.764 -10.034 17.193
142 HB3 TRP 24 HB1 TRP 24 48.766 -10.536 15.833
143 HD1 TRP 24 HD1 TRP 24 51.388 -8.899 16.582
144 HE1 TRP 24 HE1 TRP 24 52.828 -9.670 18.574
145 HE3 TRP 24 HE3 TRP 24 47.938 -11.652 19.150
146 HZ2 TRP 24 HZ2 TRP 24 52.554 -11.248 20.945
147 HZ3 TRP 24 HZ3 TRP 24 48.553 -12.777 21.270
148 HH2 TRP 24 HH2 TRP 24 50.855 -12.579 22.171
149 H LYS 25 HN LYS 25 47.053 -7.333 17.747
150 HA LYS 25 HA LYS 25 47.174 -5.605 19.284
151 HB2 LYS 25 HB2 LYS 25 49.362 -7.526 20.061
152 HB3 LYS 25 HB1 LYS 25 48.973 -6.115 21.046
153 HG2 LYS 25 HG2 LYS 25 46.617 -6.870 21.182
154 HG3 LYS 25 HG1 LYS 25 47.031 -8.299 20.236
155 HD2 LYS 25 HD2 LYS 25 48.621 -7.714 22.709
156 HD3 LYS 25 HD1 LYS 25 47.007 -8.402 22.884
157 HE2 LYS 25 HE2 LYS 25 47.627 -10.256 21.379
158 HE3 LYS 25 HE1 LYS 25 49.242 -9.571 21.201
159 HZ1 LYS 25 HZ1 LYS 25 49.792 -10.069 23.362
160 HZ2 LYS 25 HZ2 LYS 25 48.819 -11.402 22.953
161 HZ3 LYS 25 HZ3 LYS 25 48.180 -10.133 23.886
162 H SER 26 HN SER 26 48.246 -4.696 16.952
163 HA SER 26 HA SER 26 49.704 -2.472 17.638
164 HB2 SER 26 HB2 SER 26 51.415 -4.878 17.275
165 HB3 SER 26 HB1 SER 26 51.977 -3.377 16.544
166 HG SER 26 HG SER 26 51.878 -4.120 19.156
167 H SER 27 HN SER 27 48.007 -2.067 16.001
168 HA SER 27 HA SER 27 49.212 -1.840 13.371
169 HB2 SER 27 HB2 SER 27 48.185 -4.091 13.295
170 HB3 SER 27 HB1 SER 27 46.631 -3.383 13.728
171 HG SER 27 HG SER 27 46.467 -3.192 11.629
172 H GLY 28 HN GLY 28 45.792 -1.878 14.296
173 HA2 GLY 28 HA2 GLY 28 45.460 0.863 14.801
174 HA3 GLY 28 HA1 GLY 28 45.203 0.596 13.079
175 H ALA 29 HN ALA 29 44.451 -1.825 15.493
176 HA ALA 29 HA ALA 29 41.590 -1.184 15.360
177 HB1 ALA 29 HB1 ALA 29 41.813 -2.727 13.538
178 HB2 ALA 29 HB2 ALA 29 41.110 -3.619 14.888
179 HB3 ALA 29 HB3 ALA 29 42.820 -3.808 14.500
180 H LEU 30 HN LEU 30 43.765 -1.152 17.403
181 HA LEU 30 HA LEU 30 42.529 -3.005 19.355
182 HB2 LEU 30 HB2 LEU 30 44.709 -3.098 20.491
183 HB3 LEU 30 HB1 LEU 30 44.835 -3.673 18.828
184 HG LEU 30 HG LEU 30 45.249 -0.895 18.684
185 HD11 LEU 30 HD11 LEU 30 46.931 -2.118 20.890
186 HD12 LEU 30 HD12 LEU 30 45.595 -1.002 21.172
187 HD13 LEU 30 HD13 LEU 30 47.021 -0.464 20.284
188 HD21 LEU 30 HD21 LEU 30 46.339 -2.592 17.291
189 HD22 LEU 30 HD22 LEU 30 47.209 -3.214 18.694
190 HD23 LEU 30 HD23 LEU 30 47.564 -1.599 18.081
191 H ILE 31 HN ILE 31 43.580 0.217 18.608
192 HA ILE 31 HA ILE 31 43.260 1.165 21.329
193 HB ILE 31 HB ILE 31 44.105 2.390 18.738
194 HG12 ILE 31 HG12 ILE 31 45.525 1.300 20.692
195 HG13 ILE 31 HG11 ILE 31 46.098 2.746 19.864
196 HG21 ILE 31 HG21 ILE 31 42.937 3.854 21.107
197 HG22 ILE 31 HG22 ILE 31 42.593 4.085 19.392
198 HG23 ILE 31 HG23 ILE 31 44.137 4.611 20.059
199 HD11 ILE 31 HD11 ILE 31 46.123 2.749 22.456
200 HD12 ILE 31 HD12 ILE 31 44.376 2.952 22.336
201 HD13 ILE 31 HD13 ILE 31 45.455 4.162 21.642
202 HA PRO 32 HA PRO 32 39.400 3.145 18.996
203 HB2 PRO 32 HB2 PRO 32 38.528 0.657 17.619
204 HB3 PRO 32 HB1 PRO 32 38.482 2.338 17.053
205 HG2 PRO 32 HG2 PRO 32 40.249 0.592 16.096
206 HG3 PRO 32 HG1 PRO 32 40.660 2.299 16.337
207 HD2 PRO 32 HD2 PRO 32 41.427 -0.077 17.992
208 HD3 PRO 32 HD1 PRO 32 42.361 1.386 17.616
209 H ALA 33 HN ALA 33 39.867 -0.056 20.282
210 HA ALA 33 HA ALA 33 37.192 -0.361 21.316
211 HB1 ALA 33 HB1 ALA 33 39.776 -1.846 21.811
212 HB2 ALA 33 HB2 ALA 33 38.403 -2.370 20.837
213 HB3 ALA 33 HB3 ALA 33 38.253 -2.271 22.592
214 H ILE 34 HN ILE 34 40.332 0.663 22.581
215 HA ILE 34 HA ILE 34 39.265 1.041 25.260
216 HB ILE 34 HB ILE 34 41.968 1.715 24.076
217 HG12 ILE 34 HG12 ILE 34 41.541 -0.431 26.100
218 HG13 ILE 34 HG11 ILE 34 40.985 -0.765 24.460
219 HG21 ILE 34 HG21 ILE 34 41.961 3.068 25.938
220 HG22 ILE 34 HG22 ILE 34 42.393 1.550 26.724
221 HG23 ILE 34 HG23 ILE 34 40.723 2.115 26.754
222 HD11 ILE 34 HD11 ILE 34 43.760 0.274 25.078
223 HD12 ILE 34 HD12 ILE 34 43.172 -0.380 23.549
224 HD13 ILE 34 HD13 ILE 34 43.385 -1.444 24.939
225 H TYR 35 HN TYR 35 38.902 2.699 22.486
226 HA TYR 35 HA TYR 35 39.357 5.383 23.516
227 HB2 TYR 35 HB2 TYR 35 39.540 4.439 21.027
228 HB3 TYR 35 HB1 TYR 35 37.840 4.910 20.996
229 HD1 TYR 35 HD2 TYR 35 37.200 7.278 21.600
230 HD2 TYR 35 HD1 TYR 35 41.275 6.072 20.977
231 HE1 TYR 35 HE2 TYR 35 37.859 9.652 21.318
232 HE2 TYR 35 HE1 TYR 35 41.934 8.446 20.695
233 HH TYR 35 HH TYR 35 40.984 10.722 21.481
234 H MET 36 HN MET 36 36.696 3.167 22.945
235 HA MET 36 HA MET 36 34.685 5.180 23.557
236 HB2 MET 36 HB2 MET 36 34.571 2.240 22.892
237 HB3 MET 36 HB1 MET 36 33.144 3.143 23.402
238 HG2 MET 36 HG2 MET 36 33.137 4.476 21.493
239 HG3 MET 36 HG1 MET 36 34.861 4.244 21.202
240 HE1 MET 36 HE1 MET 36 35.323 3.369 19.065
241 HE2 MET 36 HE2 MET 36 33.749 4.041 18.648
242 HE3 MET 36 HE3 MET 36 34.196 2.438 18.069
243 H LEU 37 HN LEU 37 36.485 2.699 25.185
244 HA LEU 37 HA LEU 37 34.730 2.387 27.422
245 HB2 LEU 37 HB2 LEU 37 37.399 1.456 26.619
246 HB3 LEU 37 HB1 LEU 37 37.229 1.707 28.355
247 HG LEU 37 HG LEU 37 36.609 -0.611 27.590
248 HD11 LEU 37 HD11 LEU 37 34.014 0.117 28.547
249 HD12 LEU 37 HD12 LEU 37 35.199 1.146 29.348
250 HD13 LEU 37 HD13 LEU 37 35.345 -0.608 29.448
251 HD21 LEU 37 HD21 LEU 37 35.032 -0.980 25.993
252 HD22 LEU 37 HD22 LEU 37 35.361 0.688 25.525
253 HD23 LEU 37 HD23 LEU 37 33.997 0.321 26.581
254 H VAL 38 HN VAL 38 35.919 5.127 26.479
255 HA VAL 38 HA VAL 38 36.465 6.082 29.215
256 HB VAL 38 HB VAL 38 37.958 6.964 26.734
257 HG11 VAL 38 HG11 VAL 38 39.379 8.093 28.553
258 HG12 VAL 38 HG12 VAL 38 38.024 7.793 29.640
259 HG13 VAL 38 HG13 VAL 38 37.806 8.817 28.220
260 HG21 VAL 38 HG21 VAL 38 39.845 5.985 28.394
261 HG22 VAL 38 HG22 VAL 38 39.037 4.984 27.187
262 HG23 VAL 38 HG23 VAL 38 38.494 4.953 28.865
263 H PHE 39 HN PHE 39 34.808 6.378 26.271
264 HA PHE 39 HA PHE 39 34.175 9.197 26.536
265 HB2 PHE 39 HB2 PHE 39 34.052 7.279 24.467
266 HB3 PHE 39 HB1 PHE 39 32.391 7.784 24.777
267 HD1 PHE 39 HD1 PHE 39 31.964 10.344 25.000
268 HD2 PHE 39 HD2 PHE 39 35.471 8.647 23.190
269 HE1 PHE 39 HE1 PHE 39 32.390 12.483 23.820
270 HE2 PHE 39 HE2 PHE 39 35.897 10.787 22.011
271 HZ PHE 39 HZ PHE 39 34.357 12.705 22.326
272 H LEU 40 HN LEU 40 32.259 6.179 26.611
273 HA LEU 40 HA LEU 40 29.970 7.481 27.741
274 HB2 LEU 40 HB2 LEU 40 29.183 5.101 28.088
275 HB3 LEU 40 HB1 LEU 40 29.568 5.535 26.422
276 HG LEU 40 HG LEU 40 31.933 4.580 27.797
277 HD11 LEU 40 HD11 LEU 40 30.448 3.261 29.174
278 HD12 LEU 40 HD12 LEU 40 31.141 2.189 27.956
279 HD13 LEU 40 HD13 LEU 40 29.492 2.785 27.771
280 HD21 LEU 40 HD21 LEU 40 30.326 3.544 25.439
281 HD22 LEU 40 HD22 LEU 40 31.965 3.039 25.853
282 HD23 LEU 40 HD23 LEU 40 31.654 4.702 25.355
283 H LEU 41 HN LEU 41 32.899 6.739 29.051
284 HA LEU 41 HA LEU 41 31.848 5.998 31.687
285 HB2 LEU 41 HB2 LEU 41 33.689 4.689 31.522
286 HB3 LEU 41 HB1 LEU 41 34.407 5.690 30.269
287 HG LEU 41 HG LEU 41 35.219 7.279 31.965
288 HD11 LEU 41 HD11 LEU 41 34.291 7.380 34.023
289 HD12 LEU 41 HD12 LEU 41 34.777 5.717 34.338
290 HD13 LEU 41 HD13 LEU 41 33.217 6.049 33.593
291 HD21 LEU 41 HD21 LEU 41 36.477 5.146 31.367
292 HD22 LEU 41 HD22 LEU 41 35.873 4.476 32.882
293 HD23 LEU 41 HD23 LEU 41 36.918 5.895 32.902
294 H GLY 42 HN GLY 42 33.622 8.561 30.028
295 HA2 GLY 42 HA2 GLY 42 33.564 10.206 32.464
296 HA3 GLY 42 HA1 GLY 42 34.515 10.534 31.021
297 H THR 43 HN THR 43 31.217 9.579 30.559
298 HA THR 43 HA THR 43 30.613 12.228 29.502
299 HB THR 43 HB THR 43 30.005 10.275 28.159
300 HG1 THR 43 HG1 THR 43 28.394 12.215 28.897
301 HG21 THR 43 HG21 THR 43 29.697 8.713 30.074
302 HG22 THR 43 HG22 THR 43 28.352 8.664 28.937
303 HG23 THR 43 HG23 THR 43 28.185 9.525 30.462
304 H THR 44 HN THR 44 27.703 11.586 30.056
305 HA THR 44 HA THR 44 26.178 12.602 31.487
306 HB THR 44 HB THR 44 26.065 11.361 33.635
307 HG1 THR 44 HG1 THR 44 28.564 10.421 32.702
308 HG21 THR 44 HG21 THR 44 26.567 9.044 32.089
309 HG22 THR 44 HG22 THR 44 26.024 10.289 30.963
310 HG23 THR 44 HG23 THR 44 25.018 9.849 32.344
311 H GLY 45 HN GLY 45 28.493 12.021 34.045
312 HA2 GLY 45 HA2 GLY 45 29.133 14.874 34.262
313 HA3 GLY 45 HA1 GLY 45 28.277 14.134 35.612
314 H ASN 46 HN ASN 46 29.465 11.638 35.705
315 HA ASN 46 HA ASN 46 31.212 10.694 36.901
316 HB2 ASN 46 HB2 ASN 46 33.310 10.672 35.614
317 HB3 ASN 46 HB1 ASN 46 31.915 10.401 34.571
318 HD21 ASN 46 HD21 ASN 46 31.147 12.311 33.278
319 HD22 ASN 46 HD22 ASN 46 32.254 13.533 32.874
320 H GLY 47 HN GLY 47 31.001 12.100 38.756
321 HA2 GLY 47 HA2 GLY 47 33.317 13.127 39.778
322 HA3 GLY 47 HA1 GLY 47 32.581 14.499 38.955
323 H LEU 48 HN LEU 48 29.856 13.370 39.530
324 HA LEU 48 HA LEU 48 29.660 13.556 42.435
325 HB2 LEU 48 HB2 LEU 48 29.647 15.921 41.477
326 HB3 LEU 48 HB1 LEU 48 28.106 15.502 40.727
327 HG LEU 48 HG LEU 48 27.667 14.635 43.268
328 HD11 LEU 48 HD11 LEU 48 29.979 15.652 43.816
329 HD12 LEU 48 HD12 LEU 48 28.633 16.091 44.869
330 HD13 LEU 48 HD13 LEU 48 29.190 17.218 43.631
331 HD21 LEU 48 HD21 LEU 48 26.510 16.878 43.576
332 HD22 LEU 48 HD22 LEU 48 26.117 16.039 42.076
333 HD23 LEU 48 HD23 LEU 48 27.257 17.385 42.061
334 H VAL 49 HN VAL 49 28.238 13.003 39.294
335 HA VAL 49 HA VAL 49 25.621 12.364 39.906
336 HB VAL 49 HB VAL 49 27.512 11.088 37.924
337 HG11 VAL 49 HG11 VAL 49 24.628 10.568 38.559
338 HG12 VAL 49 HG12 VAL 49 25.885 9.433 38.069
339 HG13 VAL 49 HG13 VAL 49 25.151 10.504 36.875
340 HG21 VAL 49 HG21 VAL 49 25.266 13.113 37.643
341 HG22 VAL 49 HG22 VAL 49 26.262 12.494 36.326
342 HG23 VAL 49 HG23 VAL 49 26.989 13.484 37.591
343 H LEU 50 HN LEU 50 28.510 10.712 40.813
344 HA LEU 50 HA LEU 50 27.176 8.202 41.417
345 HB2 LEU 50 HB2 LEU 50 29.951 9.043 42.260
346 HB3 LEU 50 HB1 LEU 50 29.322 7.406 42.074
347 HG LEU 50 HG LEU 50 29.710 9.420 39.840
348 HD11 LEU 50 HD11 LEU 50 31.452 7.468 41.074
349 HD12 LEU 50 HD12 LEU 50 31.814 8.620 39.789
350 HD13 LEU 50 HD13 LEU 50 31.148 7.036 39.392
351 HD21 LEU 50 HD21 LEU 50 28.466 6.683 39.993
352 HD22 LEU 50 HD22 LEU 50 29.254 7.208 38.505
353 HD23 LEU 50 HD23 LEU 50 27.886 8.118 39.147
354 H TRP 51 HN TRP 51 28.575 10.935 43.200
355 HA TRP 51 HA TRP 51 28.389 10.113 45.798
356 HB2 TRP 51 HB2 TRP 51 29.029 12.253 45.995
357 HB3 TRP 51 HB1 TRP 51 28.350 12.661 44.419
358 HD1 TRP 51 HD1 TRP 51 25.707 13.285 44.360
359 HE1 TRP 51 HE1 TRP 51 24.216 14.374 46.160
360 HE3 TRP 51 HE3 TRP 51 28.602 12.503 48.493
361 HZ2 TRP 51 HZ2 TRP 51 24.247 14.849 48.981
362 HZ3 TRP 51 HZ3 TRP 51 27.848 13.283 50.721
363 HH2 TRP 51 HH2 TRP 51 25.677 14.453 50.970
364 H THR 52 HN THR 52 25.739 11.187 43.716
365 HA THR 52 HA THR 52 23.739 11.110 45.754
366 HB THR 52 HB THR 52 23.624 11.138 42.739
367 HG1 THR 52 HG1 THR 52 24.018 13.126 43.394
368 HG21 THR 52 HG21 THR 52 21.627 10.034 43.166
369 HG22 THR 52 HG22 THR 52 21.117 11.713 43.333
370 HG23 THR 52 HG23 THR 52 21.455 10.748 44.769
371 H VAL 53 HN VAL 53 24.790 8.841 43.237
372 HA VAL 53 HA VAL 53 22.824 6.860 43.793
373 HB VAL 53 HB VAL 53 25.550 6.604 42.499
374 HG11 VAL 53 HG11 VAL 53 23.366 4.686 43.085
375 HG12 VAL 53 HG12 VAL 53 25.084 4.389 42.816
376 HG13 VAL 53 HG13 VAL 53 24.004 4.632 41.442
377 HG21 VAL 53 HG21 VAL 53 23.198 6.397 40.797
378 HG22 VAL 53 HG22 VAL 53 24.599 7.457 40.635
379 HG23 VAL 53 HG23 VAL 53 23.237 7.943 41.645
380 H PHE 54 HN PHE 54 25.994 7.579 45.105
381 HA PHE 54 HA PHE 54 26.111 5.096 46.617
382 HB2 PHE 54 HB2 PHE 54 28.215 5.919 45.826
383 HB3 PHE 54 HB1 PHE 54 27.905 7.525 46.488
384 HD1 PHE 54 HD2 PHE 54 28.263 3.942 47.510
385 HD2 PHE 54 HD1 PHE 54 28.619 8.066 48.658
386 HE1 PHE 54 HE2 PHE 54 29.286 3.254 49.662
387 HE2 PHE 54 HE1 PHE 54 29.642 7.378 50.811
388 HZ PHE 54 HZ PHE 54 29.975 4.972 51.312
389 H ARG 55 HN ARG 55 24.522 7.998 46.952
390 HA ARG 55 HA ARG 55 24.727 8.055 49.884
391 HB2 ARG 55 HB2 ARG 55 23.703 9.973 47.812
392 HB3 ARG 55 HB1 ARG 55 23.190 10.124 49.493
393 HG2 ARG 55 HG2 ARG 55 26.104 9.753 49.022
394 HG3 ARG 55 HG1 ARG 55 25.419 11.309 48.552
395 HD2 ARG 55 HD2 ARG 55 26.283 11.001 50.998
396 HD3 ARG 55 HD1 ARG 55 24.750 11.825 50.732
397 HE ARG 55 HE ARG 55 23.985 9.242 51.039
398 HH11 ARG 55 HH21 ARG 55 26.071 11.357 52.813
399 HH12 ARG 55 HH22 ARG 55 25.746 10.617 54.345
400 HH21 ARG 55 HH11 ARG 55 23.553 8.267 53.045
401 HH22 ARG 55 HH12 ARG 55 24.320 8.867 54.477
402 H LYS 56 HN LYS 56 22.301 7.809 47.295
403 HA LYS 56 HA LYS 56 20.012 7.558 48.863
404 HB2 LYS 56 HB2 LYS 56 20.660 6.234 46.218
405 HB3 LYS 56 HB1 LYS 56 19.047 6.341 46.924
406 HG2 LYS 56 HG2 LYS 56 20.508 8.906 46.778
407 HG3 LYS 56 HG1 LYS 56 20.087 8.202 45.216
408 HD2 LYS 56 HD2 LYS 56 17.761 8.143 45.759
409 HD3 LYS 56 HD1 LYS 56 18.080 8.482 47.460
410 HE2 LYS 56 HE2 LYS 56 18.331 10.724 47.102
411 HE3 LYS 56 HE1 LYS 56 19.128 10.488 45.547
412 HZ1 LYS 56 HZ1 LYS 56 16.649 9.601 45.041
413 HZ2 LYS 56 HZ2 LYS 56 17.184 11.182 44.724
414 HZ3 LYS 56 HZ3 LYS 56 16.325 10.842 46.150
415 H LYS 57 HN LYS 57 21.875 4.874 47.411
416 HA LYS 57 HA LYS 57 20.568 2.837 48.864
417 HB2 LYS 57 HB2 LYS 57 23.259 2.936 47.495
418 HB3 LYS 57 HB1 LYS 57 22.606 1.471 48.230
419 HG2 LYS 57 HG2 LYS 57 20.971 1.230 46.630
420 HG3 LYS 57 HG1 LYS 57 20.818 2.968 46.373
421 HD2 LYS 57 HD2 LYS 57 22.798 3.045 45.040
422 HD3 LYS 57 HD1 LYS 57 23.270 1.416 45.525
423 HE2 LYS 57 HE2 LYS 57 20.598 1.627 44.272
424 HE3 LYS 57 HE1 LYS 57 21.956 1.981 43.204
425 HZ1 LYS 57 HZ1 LYS 57 22.964 -0.119 43.848
426 HZ2 LYS 57 HZ2 LYS 57 21.418 -0.370 43.187
427 HZ3 LYS 57 HZ3 LYS 57 21.651 -0.461 44.868
428 H GLY 58 HN GLY 58 20.633 4.078 50.973
429 HA2 GLY 58 HA2 GLY 58 23.183 3.809 52.409
430 HA3 GLY 58 HA1 GLY 58 21.774 4.710 52.961
431 H HIS 59 HN HIS 59 21.312 3.779 54.884
432 HA HIS 59 HA HIS 59 20.599 0.917 54.849
433 HB2 HIS 59 HB2 HIS 59 22.207 2.318 56.996
434 HB3 HIS 59 HB1 HIS 59 21.584 0.673 57.104
435 HD2 HIS 59 HD2 HIS 59 24.122 2.639 54.743
436 HE1 HIS 59 HE1 HIS 59 25.110 -1.466 54.731
437 HE2 HIS 59 HE2 HIS 59 25.800 0.829 53.890
438 H HIS 60 HN HIS 60 20.726 3.141 57.572
439 HA HIS 60 HA HIS 60 17.947 3.805 57.481
440 HB2 HIS 60 HB2 HIS 60 18.801 1.408 58.915
441 HB3 HIS 60 HB1 HIS 60 17.941 2.553 59.944
442 HD2 HIS 60 HD2 HIS 60 15.467 3.540 58.320
443 HE1 HIS 60 HE1 HIS 60 14.897 -0.396 56.904
444 HE2 HIS 60 HE2 HIS 60 13.804 1.879 57.182
445 H HIS 61 HN HIS 61 17.321 4.709 59.806
446 HA HIS 61 HA HIS 61 19.407 6.652 60.438
447 HB2 HIS 61 HB2 HIS 61 17.589 7.711 61.807
448 HB3 HIS 61 HB1 HIS 61 17.198 7.553 60.095
449 HD2 HIS 61 HD2 HIS 61 14.568 6.739 59.976
450 HE1 HIS 61 HE1 HIS 61 14.631 3.996 63.186
451 HE2 HIS 61 HE2 HIS 61 13.193 4.990 61.344
452 H HIS 62 HN HIS 62 20.187 7.027 62.539
453 HA HIS 62 HA HIS 62 20.813 4.764 64.063
454 HB2 HIS 62 HB2 HIS 62 21.893 7.132 64.032
455 HB3 HIS 62 HB1 HIS 62 20.704 7.510 65.279
456 HD2 HIS 62 HD2 HIS 62 23.368 4.564 64.805
457 HE1 HIS 62 HE1 HIS 62 23.117 5.597 68.891
458 HE2 HIS 62 HE2 HIS 62 24.277 4.090 67.207
459 H HIS 63 HN HIS 63 20.335 5.438 66.713
460 HA HIS 63 HA HIS 63 18.794 4.794 68.319
461 HB2 HIS 63 HB2 HIS 63 18.410 7.240 68.017
462 HB3 HIS 63 HB1 HIS 63 17.139 6.862 66.854
463 HD2 HIS 63 HD2 HIS 63 17.746 5.361 70.508
464 HE1 HIS 63 HE1 HIS 63 13.726 6.599 70.145
465 HE2 HIS 63 HE2 HIS 63 15.423 5.511 71.690
466 H HIS 64 HN HIS 64 18.331 2.663 67.719
467 HA HIS 64 HA HIS 64 17.002 0.903 67.078
468 HB2 HIS 64 HB2 HIS 64 15.293 2.906 68.095
469 HB3 HIS 64 HB1 HIS 64 14.517 2.288 66.637
470 HD2 HIS 64 HD2 HIS 64 14.277 -0.681 66.679
471 HE1 HIS 64 HE1 HIS 64 14.350 -0.818 70.899
472 HE2 HIS 64 HE2 HIS 64 13.834 -2.145 68.796
Start of MODEL 36
1 H1 MET 1 HT1 MET 1 20.400 -11.487 -35.602
2 H2 MET 1 HT2 MET 1 18.949 -12.230 -35.123
3 H3 MET 1 HT3 MET 1 20.327 -13.173 -35.435
4 HA MET 1 HA MET 1 20.200 -13.077 -33.117
5 HB2 MET 1 HB2 MET 1 22.145 -11.119 -34.327
6 HB3 MET 1 HB1 MET 1 22.116 -11.398 -32.585
7 HG2 MET 1 HG2 MET 1 22.800 -13.613 -32.790
8 HG3 MET 1 HG1 MET 1 22.184 -13.758 -34.437
9 HE1 MET 1 HE1 MET 1 25.197 -13.560 -32.325
10 HE2 MET 1 HE2 MET 1 24.674 -11.885 -32.162
11 HE3 MET 1 HE3 MET 1 26.202 -12.249 -32.958
12 H GLU 2 HN GLU 2 18.065 -12.284 -32.628
13 HA GLU 2 HA GLU 2 18.105 -9.529 -31.587
14 HB2 GLU 2 HB2 GLU 2 15.659 -10.702 -32.894
15 HB3 GLU 2 HB1 GLU 2 15.985 -9.017 -32.481
16 HG2 GLU 2 HG2 GLU 2 17.833 -8.998 -34.151
17 HG3 GLU 2 HG1 GLU 2 17.404 -10.646 -34.608
18 H GLU 3 HN GLU 3 15.295 -9.814 -30.862
19 HA GLU 3 HA GLU 3 14.101 -10.377 -28.974
20 HB2 GLU 3 HB2 GLU 3 15.391 -13.090 -29.306
21 HB3 GLU 3 HB1 GLU 3 13.826 -12.720 -28.581
22 HG2 GLU 3 HG2 GLU 3 13.461 -11.604 -31.011
23 HG3 GLU 3 HG1 GLU 3 14.595 -12.879 -31.447
24 H GLY 4 HN GLY 4 15.748 -8.914 -27.891
25 HA2 GLY 4 HA2 GLY 4 16.387 -9.753 -25.365
26 HA3 GLY 4 HA1 GLY 4 17.822 -10.133 -26.313
27 H GLY 5 HN GLY 5 17.505 -7.892 -28.136
28 HA2 GLY 5 HA2 GLY 5 17.690 -5.545 -28.203
29 HA3 GLY 5 HA1 GLY 5 17.698 -5.516 -26.443
30 H ASP 6 HN ASP 6 19.519 -3.952 -27.069
31 HA ASP 6 HA ASP 6 22.027 -5.258 -27.788
32 HB2 ASP 6 HB2 ASP 6 22.905 -3.122 -28.092
33 HB3 ASP 6 HB1 ASP 6 21.211 -2.888 -28.521
34 H PHE 7 HN PHE 7 23.471 -5.974 -26.357
35 HA PHE 7 HA PHE 7 24.313 -6.598 -24.295
36 HB2 PHE 7 HB2 PHE 7 24.913 -3.990 -24.848
37 HB3 PHE 7 HB1 PHE 7 24.163 -3.846 -23.257
38 HD1 PHE 7 HD2 PHE 7 26.731 -5.816 -25.139
39 HD2 PHE 7 HD1 PHE 7 25.381 -4.385 -21.320
40 HE1 PHE 7 HE2 PHE 7 28.803 -6.678 -24.083
41 HE2 PHE 7 HE1 PHE 7 27.452 -5.248 -20.264
42 HZ PHE 7 HZ PHE 7 29.163 -6.395 -21.645
43 H ASP 8 HN ASP 8 24.036 -5.635 -21.755
44 HA ASP 8 HA ASP 8 21.238 -5.330 -21.078
45 HB2 ASP 8 HB2 ASP 8 21.386 -7.761 -21.458
46 HB3 ASP 8 HB1 ASP 8 22.707 -7.859 -20.295
47 H ASN 9 HN ASN 9 23.482 -3.711 -20.623
48 HA ASN 9 HA ASN 9 24.663 -2.632 -18.968
49 HB2 ASN 9 HB2 ASN 9 22.114 -2.461 -18.343
50 HB3 ASN 9 HB1 ASN 9 22.578 -3.516 -17.010
51 HD21 ASN 9 HD21 ASN 9 23.484 -0.394 -18.553
52 HD22 ASN 9 HD22 ASN 9 24.065 0.310 -17.123
53 H TYR 10 HN TYR 10 25.524 -5.268 -19.431
54 HA TYR 10 HA TYR 10 26.661 -7.036 -18.473
55 HB2 TYR 10 HB2 TYR 10 27.954 -4.797 -17.929
56 HB3 TYR 10 HB1 TYR 10 27.495 -5.192 -16.272
57 HD1 TYR 10 HD1 TYR 10 28.984 -6.765 -19.333
58 HD2 TYR 10 HD2 TYR 10 28.813 -6.687 -15.041
59 HE1 TYR 10 HE1 TYR 10 30.806 -8.444 -19.230
60 HE2 TYR 10 HE2 TYR 10 30.635 -8.366 -14.938
61 HH TYR 10 HH TYR 10 32.645 -9.046 -17.383
62 H TYR 11 HN TYR 11 27.299 -7.797 -15.968
63 HA TYR 11 HA TYR 11 24.964 -7.673 -14.253
64 HB2 TYR 11 HB2 TYR 11 24.065 -9.651 -14.795
65 HB3 TYR 11 HB1 TYR 11 25.203 -9.755 -16.140
66 HD1 TYR 11 HD1 TYR 11 27.599 -10.609 -15.590
67 HD2 TYR 11 HD2 TYR 11 24.201 -11.189 -13.026
68 HE1 TYR 11 HE1 TYR 11 28.772 -12.478 -14.458
69 HE2 TYR 11 HE2 TYR 11 25.375 -13.058 -11.893
70 HH TYR 11 HH TYR 11 27.367 -14.085 -11.631
71 H GLY 12 HN GLY 12 25.328 -8.854 -12.199
72 HA2 GLY 12 HA2 GLY 12 26.648 -9.601 -10.442
73 HA3 GLY 12 HA1 GLY 12 28.011 -9.705 -11.551
74 H ALA 13 HN ALA 13 27.874 -7.004 -12.500
75 HA ALA 13 HA ALA 13 29.201 -5.690 -10.267
76 HB1 ALA 13 HB1 ALA 13 30.075 -4.191 -11.851
77 HB2 ALA 13 HB2 ALA 13 28.762 -4.488 -12.990
78 HB3 ALA 13 HB3 ALA 13 29.996 -5.720 -12.729
79 H ASP 14 HN ASP 14 26.934 -5.724 -9.203
80 HA ASP 14 HA ASP 14 25.740 -3.076 -9.669
81 HB2 ASP 14 HB2 ASP 14 23.948 -5.400 -9.052
82 HB3 ASP 14 HB1 ASP 14 23.553 -3.854 -9.803
83 H ASN 15 HN ASN 15 27.588 -3.758 -7.688
84 HA ASN 15 HA ASN 15 26.034 -3.150 -5.315
85 HB2 ASN 15 HB2 ASN 15 26.076 -5.673 -5.472
86 HB3 ASN 15 HB1 ASN 15 27.827 -5.582 -5.283
87 HD21 ASN 15 HD21 ASN 15 24.877 -4.261 -3.658
88 HD22 ASN 15 HD22 ASN 15 25.488 -4.457 -2.087
89 H GLN 16 HN GLN 16 28.049 -1.829 -6.951
90 HA GLN 16 HA GLN 16 30.632 -1.889 -5.933
91 HB2 GLN 16 HB2 GLN 16 29.445 -0.429 -7.834
92 HB3 GLN 16 HB1 GLN 16 29.461 0.778 -6.548
93 HG2 GLN 16 HG2 GLN 16 31.535 1.139 -7.549
94 HG3 GLN 16 HG1 GLN 16 31.959 0.025 -6.252
95 HE21 GLN 16 HE21 GLN 16 30.367 -2.063 -8.069
96 HE22 GLN 16 HE22 GLN 16 31.570 -2.558 -9.160
97 H SER 17 HN SER 17 27.718 -0.660 -4.502
98 HA SER 17 HA SER 17 28.755 1.158 -2.641
99 HB2 SER 17 HB2 SER 17 26.354 -0.669 -2.544
100 HB3 SER 17 HB1 SER 17 26.719 0.486 -1.265
101 HG SER 17 HG SER 17 25.522 0.918 -3.593
102 H GLU 18 HN GLU 18 30.673 0.452 -1.723
103 HA GLU 18 HA GLU 18 30.356 -1.541 0.401
104 HB2 GLU 18 HB2 GLU 18 31.250 -2.903 -1.359
105 HB3 GLU 18 HB1 GLU 18 32.452 -1.680 -1.773
106 HG2 GLU 18 HG2 GLU 18 33.700 -2.066 0.187
107 HG3 GLU 18 HG1 GLU 18 32.354 -2.872 0.993
108 H CYS 19 HN CYS 19 31.567 -1.111 2.199
109 HA CYS 19 HA CYS 19 33.871 0.557 2.226
110 HB2 CYS 19 HB2 CYS 19 31.241 1.848 2.492
111 HB3 CYS 19 HB1 CYS 19 32.375 2.237 3.784
112 HG CYS 19 HG CYS 19 32.515 3.459 1.116
113 H GLU 20 HN GLU 20 34.909 0.483 4.189
114 HA GLU 20 HA GLU 20 35.385 -0.164 6.341
115 HB2 GLU 20 HB2 GLU 20 32.485 -0.726 6.874
116 HB3 GLU 20 HB1 GLU 20 33.720 -0.108 7.969
117 HG2 GLU 20 HG2 GLU 20 33.736 1.864 6.119
118 HG3 GLU 20 HG1 GLU 20 32.057 1.345 5.983
119 H TYR 21 HN TYR 21 32.970 -2.114 4.640
120 HA TYR 21 HA TYR 21 33.336 -4.529 6.019
121 HB2 TYR 21 HB2 TYR 21 31.656 -3.777 4.091
122 HB3 TYR 21 HB1 TYR 21 32.844 -4.600 3.080
123 HD1 TYR 21 HD1 TYR 21 30.618 -5.023 6.036
124 HD2 TYR 21 HD2 TYR 21 33.008 -6.973 3.046
125 HE1 TYR 21 HE1 TYR 21 29.688 -7.217 6.723
126 HE2 TYR 21 HE2 TYR 21 32.077 -9.167 3.734
127 HH TYR 21 HH TYR 21 31.039 -10.156 5.798
128 H THR 22 HN THR 22 35.352 -2.878 3.757
129 HA THR 22 HA THR 22 37.003 -5.282 3.336
130 HB THR 22 HB THR 22 37.892 -2.860 1.983
131 HG1 THR 22 HG1 THR 22 36.114 -2.408 0.887
132 HG21 THR 22 HG21 THR 22 38.521 -5.226 1.457
133 HG22 THR 22 HG22 THR 22 37.876 -4.352 0.068
134 HG23 THR 22 HG23 THR 22 36.861 -5.507 0.931
135 H ASP 23 HN ASP 23 36.748 -2.985 5.592
136 HA ASP 23 HA ASP 23 39.632 -3.055 6.170
137 HB2 ASP 23 HB2 ASP 23 38.944 -0.856 5.067
138 HB3 ASP 23 HB1 ASP 23 38.013 -0.535 6.528
139 H TRP 24 HN TRP 24 37.025 -4.292 7.168
140 HA TRP 24 HA TRP 24 36.248 -3.321 9.638
141 HB2 TRP 24 HB2 TRP 24 35.969 -5.882 10.167
142 HB3 TRP 24 HB1 TRP 24 34.978 -5.119 8.928
143 HD1 TRP 24 HD1 TRP 24 38.635 -5.808 8.170
144 HE1 TRP 24 HE1 TRP 24 38.788 -7.663 6.391
145 HE3 TRP 24 HE3 TRP 24 33.743 -7.266 7.991
146 HZ2 TRP 24 HZ2 TRP 24 37.065 -9.522 5.065
147 HZ3 TRP 24 HZ3 TRP 24 33.028 -9.080 6.461
148 HH2 TRP 24 HH2 TRP 24 34.681 -10.208 4.999
149 H LYS 25 HN LYS 25 37.796 -6.344 10.128
150 HA LYS 25 HA LYS 25 39.179 -5.521 12.423
151 HB2 LYS 25 HB2 LYS 25 40.427 -7.691 12.159
152 HB3 LYS 25 HB1 LYS 25 38.672 -7.850 12.126
153 HG2 LYS 25 HG2 LYS 25 39.878 -7.353 9.482
154 HG3 LYS 25 HG1 LYS 25 40.383 -8.871 10.219
155 HD2 LYS 25 HD2 LYS 25 37.465 -8.119 10.180
156 HD3 LYS 25 HD1 LYS 25 38.215 -8.829 8.755
157 HE2 LYS 25 HE2 LYS 25 38.213 -10.056 11.527
158 HE3 LYS 25 HE1 LYS 25 37.217 -10.577 10.170
159 HZ1 LYS 25 HZ1 LYS 25 38.902 -11.918 9.675
160 HZ2 LYS 25 HZ2 LYS 25 39.976 -11.120 10.722
161 HZ3 LYS 25 HZ3 LYS 25 39.731 -10.538 9.144
162 H SER 26 HN SER 26 41.495 -7.198 10.765
163 HA SER 26 HA SER 26 43.467 -6.637 9.690
164 HB2 SER 26 HB2 SER 26 41.830 -4.785 8.657
165 HB3 SER 26 HB1 SER 26 42.852 -3.728 9.628
166 HG SER 26 HG SER 26 43.458 -5.280 7.402
167 H SER 27 HN SER 27 42.739 -6.327 12.634
168 HA SER 27 HA SER 27 44.023 -5.975 14.524
169 HB2 SER 27 HB2 SER 27 46.111 -4.438 13.063
170 HB3 SER 27 HB1 SER 27 46.284 -5.651 14.329
171 HG SER 27 HG SER 27 46.104 -7.225 12.866
172 H GLY 28 HN GLY 28 42.720 -3.701 12.490
173 HA2 GLY 28 HA2 GLY 28 43.485 -1.305 13.904
174 HA3 GLY 28 HA1 GLY 28 42.242 -1.436 12.663
175 H ALA 29 HN ALA 29 41.132 -3.780 14.319
176 HA ALA 29 HA ALA 29 39.219 -2.207 15.784
177 HB1 ALA 29 HB1 ALA 29 39.627 -5.191 15.510
178 HB2 ALA 29 HB2 ALA 29 38.435 -4.195 14.676
179 HB3 ALA 29 HB3 ALA 29 38.299 -4.463 16.415
180 H LEU 30 HN LEU 30 42.298 -3.115 16.501
181 HA LEU 30 HA LEU 30 41.761 -3.557 19.365
182 HB2 LEU 30 HB2 LEU 30 44.431 -3.789 17.978
183 HB3 LEU 30 HB1 LEU 30 43.946 -4.470 19.532
184 HG LEU 30 HG LEU 30 42.843 -5.263 16.820
185 HD11 LEU 30 HD11 LEU 30 44.580 -6.694 16.777
186 HD12 LEU 30 HD12 LEU 30 43.950 -7.445 18.242
187 HD13 LEU 30 HD13 LEU 30 45.123 -6.135 18.358
188 HD21 LEU 30 HD21 LEU 30 41.869 -7.143 18.367
189 HD22 LEU 30 HD22 LEU 30 41.047 -5.584 18.294
190 HD23 LEU 30 HD23 LEU 30 42.105 -5.961 19.654
191 H ILE 31 HN ILE 31 41.145 -1.219 19.403
192 HA ILE 31 HA ILE 31 42.925 0.346 20.767
193 HB ILE 31 HB ILE 31 43.552 0.408 17.935
194 HG12 ILE 31 HG12 ILE 31 45.113 0.256 19.926
195 HG13 ILE 31 HG11 ILE 31 45.561 1.468 18.732
196 HG21 ILE 31 HG21 ILE 31 42.063 2.335 17.752
197 HG22 ILE 31 HG22 ILE 31 43.733 2.878 17.703
198 HG23 ILE 31 HG23 ILE 31 42.793 3.081 19.175
199 HD11 ILE 31 HD11 ILE 31 43.760 2.516 20.798
200 HD12 ILE 31 HD12 ILE 31 45.290 3.160 20.208
201 HD13 ILE 31 HD13 ILE 31 45.280 1.910 21.451
202 HA PRO 32 HA PRO 32 39.226 2.993 19.064
203 HB2 PRO 32 HB2 PRO 32 37.447 0.942 17.920
204 HB3 PRO 32 HB1 PRO 32 37.963 2.492 17.232
205 HG2 PRO 32 HG2 PRO 32 38.826 0.136 16.279
206 HG3 PRO 32 HG1 PRO 32 39.831 1.595 16.268
207 HD2 PRO 32 HD2 PRO 32 39.934 -0.752 18.135
208 HD3 PRO 32 HD1 PRO 32 41.273 0.188 17.436
209 H ALA 33 HN ALA 33 39.001 -0.211 20.397
210 HA ALA 33 HA ALA 33 36.501 0.169 21.763
211 HB1 ALA 33 HB1 ALA 33 38.665 -1.824 22.453
212 HB2 ALA 33 HB2 ALA 33 37.525 -2.065 21.129
213 HB3 ALA 33 HB3 ALA 33 36.938 -1.944 22.787
214 H ILE 34 HN ILE 34 39.741 1.125 22.324
215 HA ILE 34 HA ILE 34 39.348 1.454 25.206
216 HB ILE 34 HB ILE 34 41.711 1.857 23.370
217 HG12 ILE 34 HG12 ILE 34 41.469 0.135 25.842
218 HG13 ILE 34 HG11 ILE 34 40.946 -0.447 24.261
219 HG21 ILE 34 HG21 ILE 34 41.999 3.620 24.905
220 HG22 ILE 34 HG22 ILE 34 42.887 2.290 25.649
221 HG23 ILE 34 HG23 ILE 34 41.275 2.707 26.229
222 HD11 ILE 34 HD11 ILE 34 43.705 0.691 24.759
223 HD12 ILE 34 HD12 ILE 34 43.148 -0.203 23.345
224 HD13 ILE 34 HD13 ILE 34 43.341 -1.029 24.891
225 H TYR 35 HN TYR 35 39.190 3.254 22.266
226 HA TYR 35 HA TYR 35 39.628 5.858 23.331
227 HB2 TYR 35 HB2 TYR 35 39.122 4.734 20.796
228 HB3 TYR 35 HB1 TYR 35 37.812 5.877 21.092
229 HD1 TYR 35 HD1 TYR 35 38.478 8.224 21.994
230 HD2 TYR 35 HD2 TYR 35 41.230 5.514 20.114
231 HE1 TYR 35 HE1 TYR 35 40.016 10.111 21.526
232 HE2 TYR 35 HE2 TYR 35 42.769 7.401 19.646
233 HH TYR 35 HH TYR 35 41.822 10.672 19.993
234 H MET 36 HN MET 36 36.764 3.834 22.903
235 HA MET 36 HA MET 36 34.974 5.914 23.852
236 HB2 MET 36 HB2 MET 36 34.205 3.025 23.596
237 HB3 MET 36 HB1 MET 36 33.234 4.468 23.303
238 HG2 MET 36 HG2 MET 36 35.124 4.876 21.445
239 HG3 MET 36 HG1 MET 36 35.205 3.116 21.522
240 HE1 MET 36 HE1 MET 36 32.263 5.702 19.405
241 HE2 MET 36 HE2 MET 36 34.018 5.745 19.563
242 HE3 MET 36 HE3 MET 36 33.006 6.254 20.913
243 H LEU 37 HN LEU 37 36.334 2.866 25.054
244 HA LEU 37 HA LEU 37 34.980 2.497 27.400
245 HB2 LEU 37 HB2 LEU 37 36.848 1.063 26.549
246 HB3 LEU 37 HB1 LEU 37 37.987 2.284 27.109
247 HG LEU 37 HG LEU 37 37.086 2.027 29.422
248 HD11 LEU 37 HD11 LEU 37 35.806 -0.317 29.597
249 HD12 LEU 37 HD12 LEU 37 35.271 0.139 27.981
250 HD13 LEU 37 HD13 LEU 37 34.934 1.196 29.351
251 HD21 LEU 37 HD21 LEU 37 38.109 -0.462 28.027
252 HD22 LEU 37 HD22 LEU 37 38.026 -0.287 29.780
253 HD23 LEU 37 HD23 LEU 37 39.070 0.775 28.836
254 H VAL 38 HN VAL 38 37.200 5.056 26.610
255 HA VAL 38 HA VAL 38 37.343 5.970 29.388
256 HB VAL 38 HB VAL 38 38.559 7.179 26.894
257 HG11 VAL 38 HG11 VAL 38 38.958 7.637 29.863
258 HG12 VAL 38 HG12 VAL 38 38.411 8.809 28.663
259 HG13 VAL 38 HG13 VAL 38 40.076 8.228 28.632
260 HG21 VAL 38 HG21 VAL 38 40.124 5.562 26.998
261 HG22 VAL 38 HG22 VAL 38 39.207 4.777 28.284
262 HG23 VAL 38 HG23 VAL 38 40.447 5.965 28.685
263 H PHE 39 HN PHE 39 35.735 6.686 26.381
264 HA PHE 39 HA PHE 39 34.859 9.321 27.113
265 HB2 PHE 39 HB2 PHE 39 35.061 8.309 24.747
266 HB3 PHE 39 HB1 PHE 39 33.504 7.552 25.087
267 HD1 PHE 39 HD1 PHE 39 35.276 10.791 24.749
268 HD2 PHE 39 HD2 PHE 39 31.474 8.839 25.184
269 HE1 PHE 39 HE1 PHE 39 34.121 12.920 24.213
270 HE2 PHE 39 HE2 PHE 39 30.319 10.968 24.648
271 HZ PHE 39 HZ PHE 39 31.643 13.008 24.162
272 H LEU 40 HN LEU 40 32.854 6.449 26.450
273 HA LEU 40 HA LEU 40 30.571 7.315 27.769
274 HB2 LEU 40 HB2 LEU 40 29.923 4.935 27.873
275 HB3 LEU 40 HB1 LEU 40 30.594 5.355 26.298
276 HG LEU 40 HG LEU 40 32.842 4.624 27.720
277 HD11 LEU 40 HD11 LEU 40 31.185 3.826 29.514
278 HD12 LEU 40 HD12 LEU 40 32.376 2.649 28.963
279 HD13 LEU 40 HD13 LEU 40 30.719 2.572 28.364
280 HD21 LEU 40 HD21 LEU 40 32.428 3.944 25.445
281 HD22 LEU 40 HD22 LEU 40 31.007 3.015 25.923
282 HD23 LEU 40 HD23 LEU 40 32.616 2.471 26.397
283 H LEU 41 HN LEU 41 33.560 6.598 29.123
284 HA LEU 41 HA LEU 41 32.712 5.480 31.620
285 HB2 LEU 41 HB2 LEU 41 35.184 6.103 30.337
286 HB3 LEU 41 HB1 LEU 41 35.175 6.885 31.918
287 HG LEU 41 HG LEU 41 34.497 3.968 31.438
288 HD11 LEU 41 HD11 LEU 41 36.718 3.606 31.406
289 HD12 LEU 41 HD12 LEU 41 36.818 4.282 33.031
290 HD13 LEU 41 HD13 LEU 41 37.032 5.328 31.627
291 HD21 LEU 41 HD21 LEU 41 33.710 4.020 33.549
292 HD22 LEU 41 HD22 LEU 41 34.033 5.752 33.629
293 HD23 LEU 41 HD23 LEU 41 35.276 4.600 34.117
294 H GLY 42 HN GLY 42 33.110 8.718 30.351
295 HA2 GLY 42 HA2 GLY 42 31.859 9.788 32.780
296 HA3 GLY 42 HA1 GLY 42 33.402 10.475 32.281
297 H THR 43 HN THR 43 30.859 9.344 30.114
298 HA THR 43 HA THR 43 30.214 12.132 29.410
299 HB THR 43 HB THR 43 30.306 11.525 27.007
300 HG1 THR 43 HG1 THR 43 31.303 9.119 28.108
301 HG21 THR 43 HG21 THR 43 32.232 12.629 28.020
302 HG22 THR 43 HG22 THR 43 32.790 11.429 26.854
303 HG23 THR 43 HG23 THR 43 32.856 11.078 28.581
304 H THR 44 HN THR 44 29.360 8.983 27.997
305 HA THR 44 HA THR 44 26.678 9.514 27.563
306 HB THR 44 HB THR 44 26.366 7.050 27.550
307 HG1 THR 44 HG1 THR 44 28.355 5.854 27.957
308 HG21 THR 44 HG21 THR 44 28.071 6.584 25.804
309 HG22 THR 44 HG22 THR 44 28.915 8.063 26.263
310 HG23 THR 44 HG23 THR 44 27.294 8.150 25.575
311 H GLY 45 HN GLY 45 26.908 6.840 29.685
312 HA2 GLY 45 HA2 GLY 45 24.963 8.019 31.480
313 HA3 GLY 45 HA1 GLY 45 25.575 6.369 31.535
314 H ASN 46 HN ASN 46 27.934 6.188 32.209
315 HA ASN 46 HA ASN 46 29.321 6.319 34.059
316 HB2 ASN 46 HB2 ASN 46 30.514 8.456 34.175
317 HB3 ASN 46 HB1 ASN 46 30.290 7.955 32.501
318 HD21 ASN 46 HD21 ASN 46 28.537 9.065 31.259
319 HD22 ASN 46 HD22 ASN 46 28.029 10.613 31.734
320 H GLY 47 HN GLY 47 28.069 5.833 35.836
321 HA2 GLY 47 HA2 GLY 47 27.332 6.305 37.989
322 HA3 GLY 47 HA1 GLY 47 27.539 8.021 37.650
323 H LEU 48 HN LEU 48 25.918 7.657 35.126
324 HA LEU 48 HA LEU 48 23.327 8.120 36.367
325 HB2 LEU 48 HB2 LEU 48 24.524 9.331 34.292
326 HB3 LEU 48 HB1 LEU 48 23.629 8.093 33.410
327 HG LEU 48 HG LEU 48 21.624 8.845 34.926
328 HD11 LEU 48 HD11 LEU 48 22.895 11.533 34.810
329 HD12 LEU 48 HD12 LEU 48 23.473 10.443 36.070
330 HD13 LEU 48 HD13 LEU 48 21.765 10.873 35.993
331 HD21 LEU 48 HD21 LEU 48 21.278 9.236 32.669
332 HD22 LEU 48 HD22 LEU 48 22.786 10.132 32.487
333 HD23 LEU 48 HD23 LEU 48 21.389 10.901 33.240
334 H VAL 49 HN VAL 49 25.004 5.479 35.168
335 HA VAL 49 HA VAL 49 22.637 4.084 34.158
336 HB VAL 49 HB VAL 49 25.561 3.331 34.320
337 HG11 VAL 49 HG11 VAL 49 23.118 1.726 33.582
338 HG12 VAL 49 HG12 VAL 49 24.479 1.258 34.603
339 HG13 VAL 49 HG13 VAL 49 24.685 1.367 32.854
340 HG21 VAL 49 HG21 VAL 49 25.672 4.123 32.209
341 HG22 VAL 49 HG22 VAL 49 24.078 4.830 32.471
342 HG23 VAL 49 HG23 VAL 49 24.225 3.234 31.735
343 H LEU 50 HN LEU 50 24.519 4.392 37.027
344 HA LEU 50 HA LEU 50 23.422 1.917 38.168
345 HB2 LEU 50 HB2 LEU 50 25.333 3.866 39.467
346 HB3 LEU 50 HB1 LEU 50 25.003 2.201 39.943
347 HG LEU 50 HG LEU 50 25.741 1.871 37.327
348 HD11 LEU 50 HD11 LEU 50 26.322 4.320 37.243
349 HD12 LEU 50 HD12 LEU 50 27.681 3.253 36.890
350 HD13 LEU 50 HD13 LEU 50 27.548 4.018 38.473
351 HD21 LEU 50 HD21 LEU 50 28.038 1.318 38.372
352 HD22 LEU 50 HD22 LEU 50 26.634 0.470 39.022
353 HD23 LEU 50 HD23 LEU 50 27.324 1.835 39.901
354 H TRP 51 HN TRP 51 23.204 5.402 38.395
355 HA TRP 51 HA TRP 51 21.834 5.592 40.855
356 HB2 TRP 51 HB2 TRP 51 22.044 7.773 40.396
357 HB3 TRP 51 HB1 TRP 51 22.656 7.357 38.795
358 HD1 TRP 51 HD1 TRP 51 20.693 6.899 36.883
359 HE1 TRP 51 HE1 TRP 51 18.462 8.148 36.547
360 HE3 TRP 51 HE3 TRP 51 20.187 9.055 41.485
361 HZ2 TRP 51 HZ2 TRP 51 16.697 9.837 38.034
362 HZ3 TRP 51 HZ3 TRP 51 18.224 10.477 41.997
363 HH2 TRP 51 HH2 TRP 51 16.479 10.872 40.280
364 H THR 52 HN THR 52 20.795 4.738 37.640
365 HA THR 52 HA THR 52 17.976 5.062 38.205
366 HB THR 52 HB THR 52 19.209 5.189 35.903
367 HG1 THR 52 HG1 THR 52 17.102 5.410 35.736
368 HG21 THR 52 HG21 THR 52 20.096 2.784 36.342
369 HG22 THR 52 HG22 THR 52 19.498 3.174 34.729
370 HG23 THR 52 HG23 THR 52 18.482 2.268 35.850
371 H VAL 53 HN VAL 53 20.369 2.542 38.421
372 HA VAL 53 HA VAL 53 18.641 0.300 38.459
373 HB VAL 53 HB VAL 53 21.385 0.769 39.633
374 HG11 VAL 53 HG11 VAL 53 19.548 -1.602 39.753
375 HG12 VAL 53 HG12 VAL 53 20.649 -0.982 40.982
376 HG13 VAL 53 HG13 VAL 53 21.284 -1.870 39.597
377 HG21 VAL 53 HG21 VAL 53 22.106 -0.588 37.738
378 HG22 VAL 53 HG22 VAL 53 21.115 0.744 37.141
379 HG23 VAL 53 HG23 VAL 53 20.431 -0.876 37.267
380 H PHE 54 HN PHE 54 20.416 1.586 41.268
381 HA PHE 54 HA PHE 54 18.993 0.382 43.273
382 HB2 PHE 54 HB2 PHE 54 20.207 1.705 44.639
383 HB3 PHE 54 HB1 PHE 54 20.946 2.322 43.161
384 HD1 PHE 54 HD2 PHE 54 18.433 2.957 45.783
385 HD2 PHE 54 HD1 PHE 54 20.289 4.471 42.217
386 HE1 PHE 54 HE2 PHE 54 17.458 5.194 46.226
387 HE2 PHE 54 HE1 PHE 54 19.314 6.708 42.660
388 HZ PHE 54 HZ PHE 54 17.900 7.069 44.664
389 H ARG 55 HN ARG 55 18.028 3.112 41.310
390 HA ARG 55 HA ARG 55 15.787 3.844 42.962
391 HB2 ARG 55 HB2 ARG 55 16.876 5.501 41.520
392 HB3 ARG 55 HB1 ARG 55 16.445 4.558 40.095
393 HG2 ARG 55 HG2 ARG 55 14.158 5.110 41.843
394 HG3 ARG 55 HG1 ARG 55 14.907 6.570 41.195
395 HD2 ARG 55 HD2 ARG 55 14.583 5.868 38.951
396 HD3 ARG 55 HD1 ARG 55 14.249 4.207 39.433
397 HE ARG 55 HE ARG 55 12.067 4.834 39.964
398 HH11 ARG 55 HH21 ARG 55 14.067 7.572 39.281
399 HH12 ARG 55 HH22 ARG 55 12.747 8.688 39.193
400 HH21 ARG 55 HH11 ARG 55 10.328 6.293 39.849
401 HH22 ARG 55 HH12 ARG 55 10.630 7.964 39.513
402 H LYS 56 HN LYS 56 16.081 2.336 39.739
403 HA LYS 56 HA LYS 56 13.499 1.781 39.124
404 HB2 LYS 56 HB2 LYS 56 15.999 0.157 38.766
405 HB3 LYS 56 HB1 LYS 56 14.443 -0.473 38.223
406 HG2 LYS 56 HG2 LYS 56 15.186 2.330 37.473
407 HG3 LYS 56 HG1 LYS 56 15.947 0.997 36.602
408 HD2 LYS 56 HD2 LYS 56 12.985 0.905 37.007
409 HD3 LYS 56 HD1 LYS 56 13.625 2.011 35.792
410 HE2 LYS 56 HE2 LYS 56 14.468 0.297 34.475
411 HE3 LYS 56 HE1 LYS 56 14.643 -0.806 35.840
412 HZ1 LYS 56 HZ1 LYS 56 12.767 -1.698 35.049
413 HZ2 LYS 56 HZ2 LYS 56 12.361 -0.322 34.138
414 HZ3 LYS 56 HZ3 LYS 56 11.994 -0.386 35.795
415 H LYS 57 HN LYS 57 15.542 -0.475 41.000
416 HA LYS 57 HA LYS 57 13.301 -2.069 41.804
417 HB2 LYS 57 HB2 LYS 57 15.003 -3.111 43.361
418 HB3 LYS 57 HB1 LYS 57 15.423 -3.159 41.649
419 HG2 LYS 57 HG2 LYS 57 16.351 -0.689 42.843
420 HG3 LYS 57 HG1 LYS 57 16.971 -2.077 43.739
421 HD2 LYS 57 HD2 LYS 57 17.126 -1.812 40.724
422 HD3 LYS 57 HD1 LYS 57 18.439 -1.376 41.818
423 HE2 LYS 57 HE2 LYS 57 19.072 -3.527 41.992
424 HE3 LYS 57 HE1 LYS 57 17.448 -4.003 42.487
425 HZ1 LYS 57 HZ1 LYS 57 17.015 -3.643 39.924
426 HZ2 LYS 57 HZ2 LYS 57 17.582 -5.123 40.539
427 HZ3 LYS 57 HZ3 LYS 57 18.666 -4.021 39.832
428 H GLY 58 HN GLY 58 12.467 0.355 42.466
429 HA2 GLY 58 HA2 GLY 58 13.120 0.930 45.257
430 HA3 GLY 58 HA1 GLY 58 12.076 1.887 44.209
431 H HIS 59 HN HIS 59 12.264 -0.984 46.226
432 HA HIS 59 HA HIS 59 10.644 -2.319 47.172
433 HB2 HIS 59 HB2 HIS 59 10.199 0.299 47.862
434 HB3 HIS 59 HB1 HIS 59 8.624 -0.198 47.240
435 HD2 HIS 59 HD2 HIS 59 11.186 -2.135 49.624
436 HE1 HIS 59 HE1 HIS 59 7.297 -2.373 51.247
437 HE2 HIS 59 HE2 HIS 59 9.717 -3.073 51.568
438 H HIS 60 HN HIS 60 10.469 -1.485 44.119
439 HA HIS 60 HA HIS 60 7.707 -1.873 43.485
440 HB2 HIS 60 HB2 HIS 60 9.109 -0.629 41.953
441 HB3 HIS 60 HB1 HIS 60 10.201 -2.003 41.776
442 HD2 HIS 60 HD2 HIS 60 6.278 -1.530 41.141
443 HE1 HIS 60 HE1 HIS 60 7.913 -3.985 38.122
444 HE2 HIS 60 HE2 HIS 60 5.785 -2.884 38.964
445 H HIS 61 HN HIS 61 10.492 -3.942 43.887
446 HA HIS 61 HA HIS 61 9.235 -6.253 42.681
447 HB2 HIS 61 HB2 HIS 61 11.244 -7.449 43.588
448 HB3 HIS 61 HB1 HIS 61 11.640 -6.082 42.546
449 HD2 HIS 61 HD2 HIS 61 14.092 -5.689 44.024
450 HE1 HIS 61 HE1 HIS 61 12.174 -4.379 47.550
451 HE2 HIS 61 HE2 HIS 61 14.412 -4.576 46.364
452 H HIS 62 HN HIS 62 10.786 -7.390 45.337
453 HA HIS 62 HA HIS 62 8.471 -8.466 46.533
454 HB2 HIS 62 HB2 HIS 62 9.987 -9.165 48.351
455 HB3 HIS 62 HB1 HIS 62 10.676 -9.511 46.765
456 HD2 HIS 62 HD2 HIS 62 13.060 -8.143 46.196
457 HE1 HIS 62 HE1 HIS 62 13.173 -5.822 49.721
458 HE2 HIS 62 HE2 HIS 62 14.469 -6.486 47.639
459 H HIS 63 HN HIS 63 7.074 -7.654 47.961
460 HA HIS 63 HA HIS 63 7.085 -4.957 48.745
461 HB2 HIS 63 HB2 HIS 63 5.569 -7.384 49.656
462 HB3 HIS 63 HB1 HIS 63 5.380 -5.849 50.502
463 HD2 HIS 63 HD2 HIS 63 5.345 -6.733 46.599
464 HE1 HIS 63 HE1 HIS 63 2.172 -4.088 47.479
465 HE2 HIS 63 HE2 HIS 63 3.328 -5.389 45.628
466 H HIS 64 HN HIS 64 7.082 -4.169 51.023
467 HA HIS 64 HA HIS 64 8.406 -3.681 52.854
468 HB2 HIS 64 HB2 HIS 64 8.056 -6.663 53.255
469 HB3 HIS 64 HB1 HIS 64 8.473 -5.488 54.504
470 HD2 HIS 64 HD2 HIS 64 6.081 -3.330 53.048
471 HE1 HIS 64 HE1 HIS 64 3.518 -6.183 54.814
472 HE2 HIS 64 HE2 HIS 64 3.641 -3.848 53.820
Start of MODEL 37
1 H1 MET 1 HT1 MET 1 60.723 38.527 -4.018
2 H2 MET 1 HT2 MET 1 59.670 37.943 -2.820
3 H3 MET 1 HT3 MET 1 59.100 38.208 -4.399
4 HA MET 1 HA MET 1 60.247 36.392 -5.269
5 HB2 MET 1 HB2 MET 1 61.722 36.332 -2.617
6 HB3 MET 1 HB1 MET 1 61.938 35.170 -3.927
7 HG2 MET 1 HG2 MET 1 62.179 37.726 -5.106
8 HG3 MET 1 HG1 MET 1 63.124 37.784 -3.618
9 HE1 MET 1 HE1 MET 1 65.539 37.234 -3.669
10 HE2 MET 1 HE2 MET 1 65.142 38.260 -5.046
11 HE3 MET 1 HE3 MET 1 66.264 36.917 -5.251
12 H GLU 2 HN GLU 2 58.777 36.926 -2.208
13 HA GLU 2 HA GLU 2 57.612 35.504 -0.756
14 HB2 GLU 2 HB2 GLU 2 55.493 34.805 -1.905
15 HB3 GLU 2 HB1 GLU 2 55.913 36.503 -2.126
16 HG2 GLU 2 HG2 GLU 2 56.787 34.427 -4.130
17 HG3 GLU 2 HG1 GLU 2 55.177 35.137 -4.210
18 H GLU 3 HN GLU 3 59.726 34.014 -1.101
19 HA GLU 3 HA GLU 3 59.153 31.495 -2.399
20 HB2 GLU 3 HB2 GLU 3 61.464 32.605 -2.063
21 HB3 GLU 3 HB1 GLU 3 61.376 31.959 -0.423
22 HG2 GLU 3 HG2 GLU 3 60.783 29.708 -1.582
23 HG3 GLU 3 HG1 GLU 3 61.445 30.458 -3.034
24 H GLY 4 HN GLY 4 57.101 31.949 -0.680
25 HA2 GLY 4 HA2 GLY 4 56.448 29.792 0.637
26 HA3 GLY 4 HA1 GLY 4 57.652 30.410 1.764
27 H GLY 5 HN GLY 5 57.196 33.097 1.746
28 HA2 GLY 5 HA2 GLY 5 55.825 34.763 2.556
29 HA3 GLY 5 HA1 GLY 5 54.454 33.837 1.950
30 H ASP 6 HN ASP 6 55.192 35.272 4.590
31 HA ASP 6 HA ASP 6 54.107 33.155 6.321
32 HB2 ASP 6 HB2 ASP 6 56.611 33.278 6.595
33 HB3 ASP 6 HB1 ASP 6 56.402 34.931 7.171
34 H PHE 7 HN PHE 7 52.137 34.092 6.598
35 HA PHE 7 HA PHE 7 52.047 36.516 8.207
36 HB2 PHE 7 HB2 PHE 7 51.908 36.970 5.577
37 HB3 PHE 7 HB1 PHE 7 50.220 36.541 5.857
38 HD1 PHE 7 HD2 PHE 7 52.961 38.741 7.135
39 HD2 PHE 7 HD1 PHE 7 48.727 38.103 6.790
40 HE1 PHE 7 HE2 PHE 7 52.544 40.991 8.092
41 HE2 PHE 7 HE1 PHE 7 48.311 40.353 7.746
42 HZ PHE 7 HZ PHE 7 50.219 41.797 8.396
43 H ASP 8 HN ASP 8 49.902 36.899 9.108
44 HA ASP 8 HA ASP 8 48.168 36.056 10.377
45 HB2 ASP 8 HB2 ASP 8 46.324 35.325 9.072
46 HB3 ASP 8 HB1 ASP 8 47.223 36.442 8.045
47 H ASN 9 HN ASN 9 50.532 34.493 10.500
48 HA ASN 9 HA ASN 9 49.490 31.733 10.628
49 HB2 ASN 9 HB2 ASN 9 51.830 31.029 10.687
50 HB3 ASN 9 HB1 ASN 9 51.524 32.042 9.277
51 HD21 ASN 9 HD21 ASN 9 52.896 32.138 12.588
52 HD22 ASN 9 HD22 ASN 9 53.902 33.474 12.296
53 H TYR 10 HN TYR 10 48.789 33.694 12.574
54 HA TYR 10 HA TYR 10 50.313 33.724 14.900
55 HB2 TYR 10 HB2 TYR 10 47.465 34.107 14.227
56 HB3 TYR 10 HB1 TYR 10 47.783 33.648 15.900
57 HD1 TYR 10 HD1 TYR 10 49.804 35.689 13.497
58 HD2 TYR 10 HD2 TYR 10 47.613 35.601 17.190
59 HE1 TYR 10 HE1 TYR 10 50.544 38.004 13.991
60 HE2 TYR 10 HE2 TYR 10 48.352 37.916 17.685
61 HH TYR 10 HH TYR 10 50.860 39.435 16.029
62 H TYR 11 HN TYR 11 51.303 31.655 15.093
63 HA TYR 11 HA TYR 11 51.441 29.415 15.645
64 HB2 TYR 11 HB2 TYR 11 50.361 31.005 17.733
65 HB3 TYR 11 HB1 TYR 11 49.545 29.446 17.797
66 HD1 TYR 11 HD1 TYR 11 53.002 30.729 17.090
67 HD2 TYR 11 HD2 TYR 11 50.574 27.832 19.133
68 HE1 TYR 11 HE1 TYR 11 55.038 29.718 18.076
69 HE2 TYR 11 HE2 TYR 11 52.611 26.821 20.118
70 HH TYR 11 HH TYR 11 55.054 27.767 20.662
71 H GLY 12 HN GLY 12 49.517 29.949 13.598
72 HA2 GLY 12 HA2 GLY 12 47.359 28.027 14.191
73 HA3 GLY 12 HA1 GLY 12 47.355 29.191 12.870
74 H ALA 13 HN ALA 13 48.602 26.118 13.992
75 HA ALA 13 HA ALA 13 48.697 25.003 11.396
76 HB1 ALA 13 HB1 ALA 13 51.324 25.937 12.554
77 HB2 ALA 13 HB2 ALA 13 50.646 26.308 10.969
78 HB3 ALA 13 HB3 ALA 13 51.217 24.677 11.325
79 H ASP 14 HN ASP 14 47.468 23.983 13.469
80 HA ASP 14 HA ASP 14 49.133 21.673 14.222
81 HB2 ASP 14 HB2 ASP 14 48.806 23.527 16.065
82 HB3 ASP 14 HB1 ASP 14 47.212 22.792 16.225
83 H ASN 15 HN ASN 15 47.377 21.634 12.127
84 HA ASN 15 HA ASN 15 45.262 19.869 13.170
85 HB2 ASN 15 HB2 ASN 15 44.866 22.046 11.104
86 HB3 ASN 15 HB1 ASN 15 43.669 20.825 11.532
87 HD21 ASN 15 HD21 ASN 15 44.949 23.908 12.409
88 HD22 ASN 15 HD22 ASN 15 44.099 24.085 13.868
89 H GLN 16 HN GLN 16 47.274 20.922 10.477
90 HA GLN 16 HA GLN 16 46.502 18.986 8.587
91 HB2 GLN 16 HB2 GLN 16 48.423 19.606 7.374
92 HB3 GLN 16 HB1 GLN 16 48.001 21.062 8.278
93 HG2 GLN 16 HG2 GLN 16 50.210 19.084 8.829
94 HG3 GLN 16 HG1 GLN 16 50.323 20.831 8.635
95 HE21 GLN 16 HE21 GLN 16 48.744 22.005 10.389
96 HE22 GLN 16 HE22 GLN 16 48.940 21.425 11.972
97 H SER 17 HN SER 17 47.755 18.466 11.584
98 HA SER 17 HA SER 17 49.793 16.669 11.485
99 HB2 SER 17 HB2 SER 17 48.791 17.228 13.597
100 HB3 SER 17 HB1 SER 17 47.254 16.514 13.119
101 HG SER 17 HG SER 17 49.514 14.898 12.969
102 H GLU 18 HN GLU 18 50.179 14.875 10.369
103 HA GLU 18 HA GLU 18 47.988 13.506 9.016
104 HB2 GLU 18 HB2 GLU 18 50.547 14.080 8.252
105 HB3 GLU 18 HB1 GLU 18 50.707 12.402 8.773
106 HG2 GLU 18 HG2 GLU 18 48.669 11.878 7.356
107 HG3 GLU 18 HG1 GLU 18 48.800 13.508 6.699
108 H CYS 19 HN CYS 19 49.084 10.932 8.879
109 HA CYS 19 HA CYS 19 49.111 8.919 9.987
110 HB2 CYS 19 HB2 CYS 19 50.837 10.414 11.385
111 HB3 CYS 19 HB1 CYS 19 49.609 10.190 12.631
112 HG CYS 19 HG CYS 19 51.052 8.093 12.868
113 H GLU 20 HN GLU 20 46.662 10.364 9.684
114 HA GLU 20 HA GLU 20 45.160 9.193 11.931
115 HB2 GLU 20 HB2 GLU 20 44.825 11.989 10.827
116 HB3 GLU 20 HB1 GLU 20 43.642 11.197 11.868
117 HG2 GLU 20 HG2 GLU 20 45.338 10.930 13.624
118 HG3 GLU 20 HG1 GLU 20 46.547 11.683 12.585
119 H TYR 21 HN TYR 21 45.051 10.584 8.668
120 HA TYR 21 HA TYR 21 42.474 9.675 7.973
121 HB2 TYR 21 HB2 TYR 21 42.927 10.633 5.978
122 HB3 TYR 21 HB1 TYR 21 44.413 11.190 6.746
123 HD1 TYR 21 HD2 TYR 21 46.536 9.945 6.439
124 HD2 TYR 21 HD1 TYR 21 42.941 8.829 4.371
125 HE1 TYR 21 HE2 TYR 21 47.867 8.561 4.871
126 HE2 TYR 21 HE1 TYR 21 44.272 7.444 2.803
127 HH TYR 21 HH TYR 21 47.627 6.758 3.354
128 H THR 22 HN THR 22 45.148 7.887 8.773
129 HA THR 22 HA THR 22 44.479 5.661 6.963
130 HB THR 22 HB THR 22 46.817 5.878 8.870
131 HG1 THR 22 HG1 THR 22 46.849 6.302 6.080
132 HG21 THR 22 HG21 THR 22 46.158 4.077 6.526
133 HG22 THR 22 HG22 THR 22 46.347 3.602 8.215
134 HG23 THR 22 HG23 THR 22 47.745 4.150 7.292
135 H ASP 23 HN ASP 23 44.634 6.589 10.354
136 HA ASP 23 HA ASP 23 43.581 3.950 11.137
137 HB2 ASP 23 HB2 ASP 23 44.035 4.877 13.483
138 HB3 ASP 23 HB1 ASP 23 45.438 4.508 12.484
139 H TRP 24 HN TRP 24 42.002 6.045 9.777
140 HA TRP 24 HA TRP 24 40.363 7.600 11.280
141 HB2 TRP 24 HB2 TRP 24 38.515 6.452 9.624
142 HB3 TRP 24 HB1 TRP 24 39.621 7.739 9.150
143 HD1 TRP 24 HD1 TRP 24 40.461 4.008 9.693
144 HE1 TRP 24 HE1 TRP 24 41.477 3.089 7.510
145 HE3 TRP 24 HE3 TRP 24 39.956 8.109 6.691
146 HZ2 TRP 24 HZ2 TRP 24 42.008 3.977 4.843
147 HZ3 TRP 24 HZ3 TRP 24 40.726 8.045 4.336
148 HH2 TRP 24 HH2 TRP 24 41.751 5.986 3.409
149 H LYS 25 HN LYS 25 38.852 4.578 10.296
150 HA LYS 25 HA LYS 25 37.873 4.240 13.064
151 HB2 LYS 25 HB2 LYS 25 36.100 2.792 11.819
152 HB3 LYS 25 HB1 LYS 25 35.967 4.547 11.757
153 HG2 LYS 25 HG2 LYS 25 35.658 3.573 9.518
154 HG3 LYS 25 HG1 LYS 25 37.119 4.557 9.566
155 HD2 LYS 25 HD2 LYS 25 38.534 2.676 9.577
156 HD3 LYS 25 HD1 LYS 25 37.249 1.600 10.125
157 HE2 LYS 25 HE2 LYS 25 37.260 2.976 7.426
158 HE3 LYS 25 HE1 LYS 25 37.825 1.326 7.692
159 HZ1 LYS 25 HZ1 LYS 25 35.127 2.371 7.638
160 HZ2 LYS 25 HZ2 LYS 25 35.440 1.270 8.894
161 HZ3 LYS 25 HZ3 LYS 25 35.697 0.815 7.278
162 H SER 26 HN SER 26 40.430 3.255 11.875
163 HA SER 26 HA SER 26 40.000 0.358 12.298
164 HB2 SER 26 HB2 SER 26 40.728 0.456 10.086
165 HB3 SER 26 HB1 SER 26 41.768 1.846 10.384
166 HG SER 26 HG SER 26 43.293 0.439 10.664
167 H SER 27 HN SER 27 43.022 2.153 12.053
168 HA SER 27 HA SER 27 44.802 2.327 13.501
169 HB2 SER 27 HB2 SER 27 42.642 3.461 14.734
170 HB3 SER 27 HB1 SER 27 43.135 2.264 15.928
171 HG SER 27 HG SER 27 44.469 3.866 16.400
172 H GLY 28 HN GLY 28 43.511 -0.356 12.917
173 HA2 GLY 28 HA2 GLY 28 44.411 -2.484 13.393
174 HA3 GLY 28 HA1 GLY 28 45.037 -1.856 14.915
175 H ALA 29 HN ALA 29 41.897 -0.808 14.490
176 HA ALA 29 HA ALA 29 39.981 -1.258 15.688
177 HB1 ALA 29 HB1 ALA 29 40.346 -4.169 15.171
178 HB2 ALA 29 HB2 ALA 29 40.236 -3.095 13.776
179 HB3 ALA 29 HB3 ALA 29 38.920 -3.155 14.949
180 H LEU 30 HN LEU 30 42.326 -1.149 17.280
181 HA LEU 30 HA LEU 30 41.596 -3.048 19.428
182 HB2 LEU 30 HB2 LEU 30 44.339 -2.178 18.512
183 HB3 LEU 30 HB1 LEU 30 44.049 -2.890 20.101
184 HG LEU 30 HG LEU 30 42.893 -4.324 17.761
185 HD11 LEU 30 HD11 LEU 30 45.087 -3.793 16.874
186 HD12 LEU 30 HD12 LEU 30 45.099 -5.477 17.399
187 HD13 LEU 30 HD13 LEU 30 45.856 -4.237 18.398
188 HD21 LEU 30 HD21 LEU 30 43.363 -6.244 19.124
189 HD22 LEU 30 HD22 LEU 30 42.740 -5.006 20.213
190 HD23 LEU 30 HD23 LEU 30 44.472 -5.328 20.144
191 H ILE 31 HN ILE 31 42.546 0.159 18.456
192 HA ILE 31 HA ILE 31 42.609 1.122 21.206
193 HB ILE 31 HB ILE 31 43.593 2.057 18.629
194 HG12 ILE 31 HG12 ILE 31 44.202 2.970 21.450
195 HG13 ILE 31 HG11 ILE 31 44.874 1.505 20.735
196 HG21 ILE 31 HG21 ILE 31 41.818 3.730 18.750
197 HG22 ILE 31 HG22 ILE 31 43.347 4.489 19.179
198 HG23 ILE 31 HG23 ILE 31 42.201 4.060 20.444
199 HD11 ILE 31 HD11 ILE 31 45.249 4.347 19.760
200 HD12 ILE 31 HD12 ILE 31 45.764 2.926 18.853
201 HD13 ILE 31 HD13 ILE 31 46.485 3.278 20.423
202 HA PRO 32 HA PRO 32 38.741 3.427 19.195
203 HB2 PRO 32 HB2 PRO 32 37.714 1.045 17.721
204 HB3 PRO 32 HB1 PRO 32 37.656 2.762 17.276
205 HG2 PRO 32 HG2 PRO 32 39.343 1.089 16.088
206 HG3 PRO 32 HG1 PRO 32 39.803 2.762 16.453
207 HD2 PRO 32 HD2 PRO 32 40.607 0.237 17.843
208 HD3 PRO 32 HD1 PRO 32 41.548 1.721 17.566
209 H ALA 33 HN ALA 33 38.981 0.042 20.097
210 HA ALA 33 HA ALA 33 36.414 -0.012 21.439
211 HB1 ALA 33 HB1 ALA 33 36.942 -2.143 20.724
212 HB2 ALA 33 HB2 ALA 33 37.564 -2.214 22.371
213 HB3 ALA 33 HB3 ALA 33 38.666 -1.932 21.024
214 H ILE 34 HN ILE 34 39.726 0.692 22.218
215 HA ILE 34 HA ILE 34 39.145 0.702 25.099
216 HB ILE 34 HB ILE 34 41.711 0.947 23.523
217 HG12 ILE 34 HG12 ILE 34 40.913 -1.060 25.643
218 HG13 ILE 34 HG11 ILE 34 40.568 -1.313 23.932
219 HG21 ILE 34 HG21 ILE 34 42.075 2.404 25.345
220 HG22 ILE 34 HG22 ILE 34 42.706 0.859 25.917
221 HG23 ILE 34 HG23 ILE 34 41.115 1.412 26.443
222 HD11 ILE 34 HD11 ILE 34 43.348 -0.661 24.918
223 HD12 ILE 34 HD12 ILE 34 42.876 -1.338 23.360
224 HD13 ILE 34 HD13 ILE 34 42.758 -2.320 24.821
225 H TYR 35 HN TYR 35 39.136 2.757 22.439
226 HA TYR 35 HA TYR 35 40.001 5.169 23.768
227 HB2 TYR 35 HB2 TYR 35 40.082 4.680 21.248
228 HB3 TYR 35 HB1 TYR 35 38.354 5.029 21.246
229 HD1 TYR 35 HD2 TYR 35 37.550 7.275 22.113
230 HD2 TYR 35 HD1 TYR 35 41.690 6.428 21.341
231 HE1 TYR 35 HE2 TYR 35 38.041 9.706 22.076
232 HE2 TYR 35 HE1 TYR 35 42.180 8.858 21.302
233 HH TYR 35 HH TYR 35 39.625 11.249 21.367
234 H MET 36 HN MET 36 36.896 3.713 22.851
235 HA MET 36 HA MET 36 35.330 5.884 23.889
236 HB2 MET 36 HB2 MET 36 34.446 3.053 23.293
237 HB3 MET 36 HB1 MET 36 33.421 4.483 23.421
238 HG2 MET 36 HG2 MET 36 35.364 5.201 21.553
239 HG3 MET 36 HG1 MET 36 34.972 3.530 21.150
240 HE1 MET 36 HE1 MET 36 34.276 6.754 19.849
241 HE2 MET 36 HE2 MET 36 33.957 7.096 21.547
242 HE3 MET 36 HE3 MET 36 32.664 7.267 20.363
243 H LEU 37 HN LEU 37 36.312 2.691 25.067
244 HA LEU 37 HA LEU 37 34.796 2.380 27.319
245 HB2 LEU 37 HB2 LEU 37 37.321 1.410 26.384
246 HB3 LEU 37 HB1 LEU 37 37.462 1.789 28.101
247 HG LEU 37 HG LEU 37 35.242 0.115 26.893
248 HD11 LEU 37 HD11 LEU 37 36.902 -1.359 28.675
249 HD12 LEU 37 HD12 LEU 37 37.963 -0.553 27.519
250 HD13 LEU 37 HD13 LEU 37 36.678 -1.616 26.944
251 HD21 LEU 37 HD21 LEU 37 35.716 -0.268 29.702
252 HD22 LEU 37 HD22 LEU 37 34.256 0.322 28.908
253 HD23 LEU 37 HD23 LEU 37 35.519 1.457 29.389
254 H VAL 38 HN VAL 38 37.206 4.798 26.715
255 HA VAL 38 HA VAL 38 37.163 5.657 29.532
256 HB VAL 38 HB VAL 38 38.877 6.717 27.276
257 HG11 VAL 38 HG11 VAL 38 38.676 8.220 29.193
258 HG12 VAL 38 HG12 VAL 38 40.282 7.488 29.189
259 HG13 VAL 38 HG13 VAL 38 39.046 6.897 30.300
260 HG21 VAL 38 HG21 VAL 38 39.758 4.600 27.384
261 HG22 VAL 38 HG22 VAL 38 39.101 4.297 28.992
262 HG23 VAL 38 HG23 VAL 38 40.567 5.259 28.806
263 H PHE 39 HN PHE 39 35.916 6.412 26.422
264 HA PHE 39 HA PHE 39 35.391 9.203 26.978
265 HB2 PHE 39 HB2 PHE 39 35.749 8.058 24.666
266 HB3 PHE 39 HB1 PHE 39 34.045 7.623 24.806
267 HD1 PHE 39 HD2 PHE 39 36.369 10.549 25.035
268 HD2 PHE 39 HD1 PHE 39 32.375 9.179 24.246
269 HE1 PHE 39 HE2 PHE 39 35.726 12.835 24.325
270 HE2 PHE 39 HE1 PHE 39 31.731 11.466 23.535
271 HZ PHE 39 HZ PHE 39 33.406 13.295 23.574
272 H LEU 40 HN LEU 40 33.281 6.381 26.364
273 HA LEU 40 HA LEU 40 30.888 7.582 27.175
274 HB2 LEU 40 HB2 LEU 40 30.043 5.274 27.473
275 HB3 LEU 40 HB1 LEU 40 30.925 5.466 25.959
276 HG LEU 40 HG LEU 40 32.939 4.749 27.687
277 HD11 LEU 40 HD11 LEU 40 32.207 3.030 29.142
278 HD12 LEU 40 HD12 LEU 40 30.630 2.925 28.361
279 HD13 LEU 40 HD13 LEU 40 31.020 4.313 29.375
280 HD21 LEU 40 HD21 LEU 40 32.542 2.412 26.665
281 HD22 LEU 40 HD22 LEU 40 32.774 3.752 25.542
282 HD23 LEU 40 HD23 LEU 40 31.151 3.138 25.860
283 H LEU 41 HN LEU 41 33.591 6.921 29.021
284 HA LEU 41 HA LEU 41 32.205 6.296 31.496
285 HB2 LEU 41 HB2 LEU 41 34.927 6.224 30.529
286 HB3 LEU 41 HB1 LEU 41 34.844 7.081 32.069
287 HG LEU 41 HG LEU 41 33.561 4.381 31.573
288 HD11 LEU 41 HD11 LEU 41 35.659 3.555 31.704
289 HD12 LEU 41 HD12 LEU 41 35.653 4.079 33.388
290 HD13 LEU 41 HD13 LEU 41 36.326 5.128 32.141
291 HD21 LEU 41 HD21 LEU 41 33.240 6.324 33.602
292 HD22 LEU 41 HD22 LEU 41 34.228 5.045 34.306
293 HD23 LEU 41 HD23 LEU 41 32.651 4.662 33.617
294 H GLY 42 HN GLY 42 33.175 9.092 29.753
295 HA2 GLY 42 HA2 GLY 42 33.099 10.819 32.119
296 HA3 GLY 42 HA1 GLY 42 33.537 11.310 30.486
297 H THR 43 HN THR 43 31.146 9.865 29.402
298 HA THR 43 HA THR 43 29.163 11.958 30.033
299 HB THR 43 HB THR 43 28.244 11.587 27.848
300 HG1 THR 43 HG1 THR 43 30.005 9.766 26.931
301 HG21 THR 43 HG21 THR 43 29.949 12.536 26.647
302 HG22 THR 43 HG22 THR 43 31.124 11.326 27.160
303 HG23 THR 43 HG23 THR 43 30.686 12.647 28.245
304 H THR 44 HN THR 44 27.261 10.125 28.476
305 HA THR 44 HA THR 44 25.508 8.756 29.043
306 HB THR 44 HB THR 44 26.135 6.600 30.021
307 HG1 THR 44 HG1 THR 44 27.983 6.341 31.062
308 HG21 THR 44 HG21 THR 44 26.633 6.827 27.689
309 HG22 THR 44 HG22 THR 44 28.043 6.069 28.428
310 HG23 THR 44 HG23 THR 44 28.075 7.785 28.026
311 H GLY 45 HN GLY 45 27.308 8.108 32.001
312 HA2 GLY 45 HA2 GLY 45 25.078 9.290 33.546
313 HA3 GLY 45 HA1 GLY 45 26.079 7.951 34.096
314 H ASN 46 HN ASN 46 28.515 8.526 34.143
315 HA ASN 46 HA ASN 46 30.067 9.657 35.438
316 HB2 ASN 46 HB2 ASN 46 30.593 11.877 34.529
317 HB3 ASN 46 HB1 ASN 46 30.297 10.715 33.237
318 HD21 ASN 46 HD21 ASN 46 28.117 10.817 32.170
319 HD22 ASN 46 HD22 ASN 46 27.261 12.282 32.176
320 H GLY 47 HN GLY 47 29.272 9.645 37.520
321 HA2 GLY 47 HA2 GLY 47 28.949 11.017 39.442
322 HA3 GLY 47 HA1 GLY 47 28.111 12.190 38.430
323 H LEU 48 HN LEU 48 27.092 9.174 37.532
324 HA LEU 48 HA LEU 48 24.895 9.096 39.501
325 HB2 LEU 48 HB2 LEU 48 24.703 9.786 36.707
326 HB3 LEU 48 HB1 LEU 48 23.814 8.295 37.026
327 HG LEU 48 HG LEU 48 23.529 10.821 38.678
328 HD11 LEU 48 HD11 LEU 48 22.069 9.803 36.255
329 HD12 LEU 48 HD12 LEU 48 22.570 11.449 36.641
330 HD13 LEU 48 HD13 LEU 48 21.194 10.728 37.476
331 HD21 LEU 48 HD21 LEU 48 22.791 8.122 39.131
332 HD22 LEU 48 HD22 LEU 48 21.306 8.979 38.715
333 HD23 LEU 48 HD23 LEU 48 22.298 9.536 40.063
334 H VAL 49 HN VAL 49 27.092 7.482 37.374
335 HA VAL 49 HA VAL 49 25.890 4.859 37.872
336 HB VAL 49 HB VAL 49 28.314 5.658 36.240
337 HG11 VAL 49 HG11 VAL 49 28.642 3.398 36.866
338 HG12 VAL 49 HG12 VAL 49 27.870 3.300 35.284
339 HG13 VAL 49 HG13 VAL 49 26.922 3.027 36.746
340 HG21 VAL 49 HG21 VAL 49 25.738 6.210 35.635
341 HG22 VAL 49 HG22 VAL 49 25.828 4.558 35.027
342 HG23 VAL 49 HG23 VAL 49 26.932 5.787 34.408
343 H LEU 50 HN LEU 50 28.743 6.761 38.673
344 HA LEU 50 HA LEU 50 29.839 4.570 40.280
345 HB2 LEU 50 HB2 LEU 50 31.607 6.506 40.698
346 HB3 LEU 50 HB1 LEU 50 31.623 5.563 39.208
347 HG LEU 50 HG LEU 50 29.892 8.002 39.308
348 HD11 LEU 50 HD11 LEU 50 32.901 8.042 38.923
349 HD12 LEU 50 HD12 LEU 50 32.020 8.780 40.261
350 HD13 LEU 50 HD13 LEU 50 31.818 9.402 38.624
351 HD21 LEU 50 HD21 LEU 50 30.092 7.910 37.002
352 HD22 LEU 50 HD22 LEU 50 30.317 6.203 37.380
353 HD23 LEU 50 HD23 LEU 50 31.717 7.228 37.064
354 H TRP 51 HN TRP 51 27.952 7.414 40.604
355 HA TRP 51 HA TRP 51 28.612 8.016 43.330
356 HB2 TRP 51 HB2 TRP 51 27.440 9.860 42.846
357 HB3 TRP 51 HB1 TRP 51 27.031 9.174 41.274
358 HD1 TRP 51 HD1 TRP 51 24.826 7.491 41.275
359 HE1 TRP 51 HE1 TRP 51 22.627 7.726 42.602
360 HE3 TRP 51 HE3 TRP 51 26.346 10.707 44.939
361 HZ2 TRP 51 HZ2 TRP 51 21.644 9.096 44.912
362 HZ3 TRP 51 HZ3 TRP 51 24.761 11.460 46.688
363 HH2 TRP 51 HH2 TRP 51 22.414 10.659 46.680
364 H THR 52 HN THR 52 26.421 5.837 41.725
365 HA THR 52 HA THR 52 24.733 5.364 44.004
366 HB THR 52 HB THR 52 24.255 4.950 41.467
367 HG1 THR 52 HG1 THR 52 23.511 3.529 43.731
368 HG21 THR 52 HG21 THR 52 24.879 2.877 40.575
369 HG22 THR 52 HG22 THR 52 25.225 2.190 42.163
370 HG23 THR 52 HG23 THR 52 26.331 3.365 41.449
371 H VAL 53 HN VAL 53 27.770 4.144 42.856
372 HA VAL 53 HA VAL 53 27.767 1.661 44.252
373 HB VAL 53 HB VAL 53 29.985 3.403 43.169
374 HG11 VAL 53 HG11 VAL 53 31.224 2.263 44.739
375 HG12 VAL 53 HG12 VAL 53 31.173 1.015 43.495
376 HG13 VAL 53 HG13 VAL 53 30.056 0.947 44.858
377 HG21 VAL 53 HG21 VAL 53 28.781 0.753 42.303
378 HG22 VAL 53 HG22 VAL 53 30.129 1.566 41.508
379 HG23 VAL 53 HG23 VAL 53 28.530 2.309 41.511
380 H PHE 54 HN PHE 54 29.768 4.532 44.947
381 HA PHE 54 HA PHE 54 30.444 3.788 47.558
382 HB2 PHE 54 HB2 PHE 54 31.657 5.678 47.496
383 HB3 PHE 54 HB1 PHE 54 31.040 5.905 45.861
384 HD1 PHE 54 HD2 PHE 54 28.903 7.215 45.517
385 HD2 PHE 54 HD1 PHE 54 30.963 7.091 49.284
386 HE1 PHE 54 HE2 PHE 54 27.666 9.233 46.259
387 HE2 PHE 54 HE1 PHE 54 29.726 9.108 50.026
388 HZ PHE 54 HZ PHE 54 28.078 10.179 48.513
389 H ARG 55 HN ARG 55 27.408 4.455 46.438
390 HA ARG 55 HA ARG 55 26.503 5.730 48.922
391 HB2 ARG 55 HB2 ARG 55 25.748 6.719 46.794
392 HB3 ARG 55 HB1 ARG 55 25.004 5.185 46.349
393 HG2 ARG 55 HG2 ARG 55 24.211 6.086 49.014
394 HG3 ARG 55 HG1 ARG 55 23.768 7.233 47.751
395 HD2 ARG 55 HD2 ARG 55 22.488 5.610 46.580
396 HD3 ARG 55 HD1 ARG 55 23.201 4.279 47.483
397 HE ARG 55 HE ARG 55 21.763 4.744 49.260
398 HH11 ARG 55 HH21 ARG 55 21.601 7.162 46.792
399 HH12 ARG 55 HH22 ARG 55 20.169 7.903 47.420
400 HH21 ARG 55 HH11 ARG 55 19.883 5.711 50.090
401 HH22 ARG 55 HH12 ARG 55 19.196 7.084 49.287
402 H LYS 56 HN LYS 56 25.320 3.124 46.772
403 HA LYS 56 HA LYS 56 23.501 1.921 48.385
404 HB2 LYS 56 HB2 LYS 56 23.742 -0.026 47.113
405 HB3 LYS 56 HB1 LYS 56 24.362 1.227 46.039
406 HG2 LYS 56 HG2 LYS 56 26.672 0.693 47.046
407 HG3 LYS 56 HG1 LYS 56 25.922 -0.775 47.672
408 HD2 LYS 56 HD2 LYS 56 26.061 0.071 44.764
409 HD3 LYS 56 HD1 LYS 56 26.952 -1.255 45.511
410 HE2 LYS 56 HE2 LYS 56 23.982 -1.046 45.012
411 HE3 LYS 56 HE1 LYS 56 25.095 -2.305 44.478
412 HZ1 LYS 56 HZ1 LYS 56 23.793 -1.949 47.046
413 HZ2 LYS 56 HZ2 LYS 56 25.419 -2.437 47.114
414 HZ3 LYS 56 HZ3 LYS 56 24.282 -3.372 46.265
415 H LYS 57 HN LYS 57 27.015 1.641 48.663
416 HA LYS 57 HA LYS 57 26.734 -0.166 50.947
417 HB2 LYS 57 HB2 LYS 57 29.239 -0.150 50.920
418 HB3 LYS 57 HB1 LYS 57 28.512 -0.732 49.425
419 HG2 LYS 57 HG2 LYS 57 28.748 2.073 49.137
420 HG3 LYS 57 HG1 LYS 57 30.274 1.520 49.824
421 HD2 LYS 57 HD2 LYS 57 28.949 0.297 47.387
422 HD3 LYS 57 HD1 LYS 57 30.270 1.462 47.328
423 HE2 LYS 57 HE2 LYS 57 30.982 -0.632 49.153
424 HE3 LYS 57 HE1 LYS 57 30.449 -1.360 47.637
425 HZ1 LYS 57 HZ1 LYS 57 32.197 0.953 47.415
426 HZ2 LYS 57 HZ2 LYS 57 32.162 -0.478 46.499
427 HZ3 LYS 57 HZ3 LYS 57 32.909 -0.460 48.026
428 H GLY 58 HN GLY 58 25.632 2.399 51.274
429 HA2 GLY 58 HA2 GLY 58 27.280 4.297 52.506
430 HA3 GLY 58 HA1 GLY 58 25.558 4.103 52.816
431 H HIS 59 HN HIS 59 25.507 1.548 53.901
432 HA HIS 59 HA HIS 59 26.833 2.031 56.485
433 HB2 HIS 59 HB2 HIS 59 24.606 0.084 55.851
434 HB3 HIS 59 HB1 HIS 59 25.169 0.575 57.448
435 HD2 HIS 59 HD2 HIS 59 22.270 1.450 55.340
436 HE1 HIS 59 HE1 HIS 59 23.299 5.127 57.142
437 HE2 HIS 59 HE2 HIS 59 21.494 3.890 55.853
438 H HIS 60 HN HIS 60 26.020 -0.725 54.362
439 HA HIS 60 HA HIS 60 27.006 -2.815 54.204
440 HB2 HIS 60 HB2 HIS 60 28.406 -1.513 52.712
441 HB3 HIS 60 HB1 HIS 60 29.390 -0.956 54.066
442 HD2 HIS 60 HD2 HIS 60 28.449 -4.602 52.711
443 HE1 HIS 60 HE1 HIS 60 32.492 -4.545 53.926
444 HE2 HIS 60 HE2 HIS 60 30.650 -5.987 52.937
445 H HIS 61 HN HIS 61 29.888 -1.554 55.706
446 HA HIS 61 HA HIS 61 30.414 -3.597 57.418
447 HB2 HIS 61 HB2 HIS 61 30.816 -0.764 58.349
448 HB3 HIS 61 HB1 HIS 61 31.863 -2.164 58.582
449 HD2 HIS 61 HD2 HIS 61 31.755 0.834 56.313
450 HE1 HIS 61 HE1 HIS 61 33.770 -2.127 54.079
451 HE2 HIS 61 HE2 HIS 61 33.219 0.348 54.207
452 H HIS 62 HN HIS 62 29.763 -4.311 59.394
453 HA HIS 62 HA HIS 62 27.194 -4.000 60.296
454 HB2 HIS 62 HB2 HIS 62 29.720 -4.675 61.799
455 HB3 HIS 62 HB1 HIS 62 28.135 -4.699 62.573
456 HD2 HIS 62 HD2 HIS 62 28.199 -5.940 58.889
457 HE1 HIS 62 HE1 HIS 62 27.947 -9.354 61.360
458 HE2 HIS 62 HE2 HIS 62 27.820 -8.523 58.964
459 H HIS 63 HN HIS 63 26.487 -3.042 62.435
460 HA HIS 63 HA HIS 63 26.891 -0.217 62.361
461 HB2 HIS 63 HB2 HIS 63 25.571 -1.794 64.574
462 HB3 HIS 63 HB1 HIS 63 25.285 -0.111 64.127
463 HD2 HIS 63 HD2 HIS 63 24.522 -3.710 62.650
464 HE1 HIS 63 HE1 HIS 63 22.051 -0.889 60.709
465 HE2 HIS 63 HE2 HIS 63 22.565 -3.365 60.956
466 H HIS 64 HN HIS 64 29.365 -1.480 62.751
467 HA HIS 64 HA HIS 64 30.340 -1.826 65.287
468 HB2 HIS 64 HB2 HIS 64 31.463 -0.937 62.722
469 HB3 HIS 64 HB1 HIS 64 32.364 -0.377 64.132
470 HD2 HIS 64 HD2 HIS 64 34.432 -2.304 63.817
471 HE1 HIS 64 HE1 HIS 64 31.972 -5.686 64.395
472 HE2 HIS 64 HE2 HIS 64 34.374 -4.889 64.182
Start of MODEL 38
1 H1 MET 1 HT1 MET 1 10.030 -50.958 16.239
2 H2 MET 1 HT2 MET 1 10.453 -50.640 17.854
3 H3 MET 1 HT3 MET 1 11.373 -49.982 16.586
4 HA MET 1 HA MET 1 8.648 -49.248 16.315
5 HB2 MET 1 HB2 MET 1 10.052 -48.541 18.909
6 HB3 MET 1 HB1 MET 1 8.577 -47.772 18.325
7 HG2 MET 1 HG2 MET 1 8.774 -50.765 18.675
8 HG3 MET 1 HG1 MET 1 8.288 -49.705 19.997
9 HE1 MET 1 HE1 MET 1 6.316 -51.309 20.046
10 HE2 MET 1 HE2 MET 1 4.782 -50.686 19.442
11 HE3 MET 1 HE3 MET 1 5.783 -49.683 20.490
12 H GLU 2 HN GLU 2 8.565 -46.932 15.864
13 HA GLU 2 HA GLU 2 11.188 -45.670 15.414
14 HB2 GLU 2 HB2 GLU 2 10.207 -44.865 13.172
15 HB3 GLU 2 HB1 GLU 2 10.770 -46.534 13.260
16 HG2 GLU 2 HG2 GLU 2 7.927 -45.998 13.993
17 HG3 GLU 2 HG1 GLU 2 8.358 -45.924 12.285
18 H GLU 3 HN GLU 3 10.443 -44.497 17.348
19 HA GLU 3 HA GLU 3 8.315 -42.531 16.802
20 HB2 GLU 3 HB2 GLU 3 9.679 -43.188 19.422
21 HB3 GLU 3 HB1 GLU 3 8.271 -42.150 19.200
22 HG2 GLU 3 HG2 GLU 3 7.253 -44.281 18.033
23 HG3 GLU 3 HG1 GLU 3 8.476 -45.134 18.974
24 H GLY 4 HN GLY 4 9.157 -40.622 18.688
25 HA2 GLY 4 HA2 GLY 4 11.498 -39.477 17.288
26 HA3 GLY 4 HA1 GLY 4 10.210 -38.532 18.029
27 H GLY 5 HN GLY 5 11.480 -41.353 19.613
28 HA2 GLY 5 HA2 GLY 5 12.238 -39.799 21.922
29 HA3 GLY 5 HA1 GLY 5 12.353 -41.547 21.753
30 H ASP 6 HN ASP 6 13.783 -38.841 19.921
31 HA ASP 6 HA ASP 6 16.453 -39.538 20.832
32 HB2 ASP 6 HB2 ASP 6 16.176 -41.145 19.030
33 HB3 ASP 6 HB1 ASP 6 15.636 -39.870 17.937
34 H PHE 7 HN PHE 7 16.501 -37.408 21.605
35 HA PHE 7 HA PHE 7 17.167 -35.428 19.573
36 HB2 PHE 7 HB2 PHE 7 14.582 -35.454 20.469
37 HB3 PHE 7 HB1 PHE 7 15.339 -34.332 21.601
38 HD1 PHE 7 HD2 PHE 7 14.509 -34.971 18.068
39 HD2 PHE 7 HD1 PHE 7 16.325 -32.233 20.836
40 HE1 PHE 7 HE2 PHE 7 14.505 -33.206 16.326
41 HE2 PHE 7 HE1 PHE 7 16.320 -30.468 19.094
42 HZ PHE 7 HZ PHE 7 15.411 -30.955 16.839
43 H ASP 8 HN ASP 8 17.928 -33.358 20.656
44 HA ASP 8 HA ASP 8 19.621 -32.460 21.944
45 HB2 ASP 8 HB2 ASP 8 19.011 -32.174 24.220
46 HB3 ASP 8 HB1 ASP 8 17.493 -32.272 23.330
47 H ASN 9 HN ASN 9 20.202 -35.054 20.943
48 HA ASN 9 HA ASN 9 22.118 -35.927 23.000
49 HB2 ASN 9 HB2 ASN 9 19.896 -37.379 22.662
50 HB3 ASN 9 HB1 ASN 9 20.855 -38.049 21.343
51 HD21 ASN 9 HD21 ASN 9 21.061 -37.348 24.869
52 HD22 ASN 9 HD22 ASN 9 22.119 -38.631 25.210
53 H TYR 10 HN TYR 10 22.658 -34.269 20.818
54 HA TYR 10 HA TYR 10 24.720 -35.770 19.520
55 HB2 TYR 10 HB2 TYR 10 23.295 -36.497 17.874
56 HB3 TYR 10 HB1 TYR 10 22.189 -35.140 18.089
57 HD1 TYR 10 HD1 TYR 10 25.453 -36.169 16.651
58 HD2 TYR 10 HD2 TYR 10 22.457 -33.098 16.860
59 HE1 TYR 10 HE1 TYR 10 26.534 -34.985 14.758
60 HE2 TYR 10 HE2 TYR 10 23.538 -31.914 14.967
61 HH TYR 10 HH TYR 10 25.794 -31.791 13.927
62 H TYR 11 HN TYR 11 26.339 -34.367 19.750
63 HA TYR 11 HA TYR 11 26.239 -31.672 20.233
64 HB2 TYR 11 HB2 TYR 11 28.554 -31.594 19.183
65 HB3 TYR 11 HB1 TYR 11 28.330 -32.793 20.457
66 HD1 TYR 11 HD2 TYR 11 28.441 -32.312 16.771
67 HD2 TYR 11 HD1 TYR 11 28.507 -35.131 20.011
68 HE1 TYR 11 HE2 TYR 11 29.075 -34.114 15.189
69 HE2 TYR 11 HE1 TYR 11 29.142 -36.933 18.430
70 HH TYR 11 HH TYR 11 29.268 -36.356 14.943
71 H GLY 12 HN GLY 12 26.653 -29.800 18.907
72 HA2 GLY 12 HA2 GLY 12 26.406 -29.948 16.043
73 HA3 GLY 12 HA1 GLY 12 24.938 -29.367 16.823
74 H ALA 13 HN ALA 13 24.791 -27.236 17.084
75 HA ALA 13 HA ALA 13 25.405 -25.008 16.925
76 HB1 ALA 13 HB1 ALA 13 27.458 -25.997 18.920
77 HB2 ALA 13 HB2 ALA 13 25.796 -25.552 19.304
78 HB3 ALA 13 HB3 ALA 13 26.924 -24.329 18.720
79 H ASP 14 HN ASP 14 26.215 -25.656 14.667
80 HA ASP 14 HA ASP 14 29.044 -24.839 14.461
81 HB2 ASP 14 HB2 ASP 14 27.804 -26.886 12.627
82 HB3 ASP 14 HB1 ASP 14 29.507 -26.472 12.806
83 H ASN 15 HN ASN 15 26.794 -23.158 14.275
84 HA ASN 15 HA ASN 15 26.589 -22.620 11.377
85 HB2 ASN 15 HB2 ASN 15 24.527 -21.588 11.764
86 HB3 ASN 15 HB1 ASN 15 24.502 -22.950 12.882
87 HD21 ASN 15 HD21 ASN 15 23.917 -19.652 12.728
88 HD22 ASN 15 HD22 ASN 15 24.120 -19.273 14.371
89 H GLN 16 HN GLN 16 28.082 -21.589 14.226
90 HA GLN 16 HA GLN 16 28.152 -18.776 13.779
91 HB2 GLN 16 HB2 GLN 16 29.921 -18.753 15.450
92 HB3 GLN 16 HB1 GLN 16 28.635 -19.841 15.972
93 HG2 GLN 16 HG2 GLN 16 30.280 -21.491 14.472
94 HG3 GLN 16 HG1 GLN 16 31.423 -20.441 15.308
95 HE21 GLN 16 HE21 GLN 16 28.265 -21.903 16.293
96 HE22 GLN 16 HE22 GLN 16 28.870 -22.583 17.724
97 H SER 17 HN SER 17 28.564 -19.262 11.344
98 HA SER 17 HA SER 17 31.401 -19.664 10.744
99 HB2 SER 17 HB2 SER 17 29.446 -20.700 9.415
100 HB3 SER 17 HB1 SER 17 29.236 -19.090 8.732
101 HG SER 17 HG SER 17 31.105 -19.269 7.709
102 H GLU 18 HN GLU 18 30.889 -17.343 12.205
103 HA GLU 18 HA GLU 18 31.684 -15.307 10.239
104 HB2 GLU 18 HB2 GLU 18 29.396 -14.757 10.502
105 HB3 GLU 18 HB1 GLU 18 29.438 -15.071 12.238
106 HG2 GLU 18 HG2 GLU 18 30.650 -13.105 12.691
107 HG3 GLU 18 HG1 GLU 18 31.187 -12.942 11.020
108 H CYS 19 HN CYS 19 33.644 -14.675 10.856
109 HA CYS 19 HA CYS 19 34.090 -13.780 13.583
110 HB2 CYS 19 HB2 CYS 19 36.179 -15.186 13.782
111 HB3 CYS 19 HB1 CYS 19 34.666 -16.086 13.892
112 HG CYS 19 HG CYS 19 36.220 -15.949 11.182
113 H GLU 20 HN GLU 20 36.341 -12.851 13.800
114 HA GLU 20 HA GLU 20 37.840 -11.253 13.100
115 HB2 GLU 20 HB2 GLU 20 37.854 -13.045 10.660
116 HB3 GLU 20 HB1 GLU 20 39.042 -11.785 10.992
117 HG2 GLU 20 HG2 GLU 20 40.140 -13.072 12.489
118 HG3 GLU 20 HG1 GLU 20 38.641 -13.569 13.273
119 H TYR 21 HN TYR 21 34.842 -11.289 12.097
120 HA TYR 21 HA TYR 21 35.115 -9.372 9.890
121 HB2 TYR 21 HB2 TYR 21 33.009 -9.966 9.246
122 HB3 TYR 21 HB1 TYR 21 33.378 -11.418 10.177
123 HD1 TYR 21 HD1 TYR 21 32.608 -11.607 12.556
124 HD2 TYR 21 HD2 TYR 21 31.371 -8.388 9.995
125 HE1 TYR 21 HE1 TYR 21 30.747 -11.087 14.110
126 HE2 TYR 21 HE2 TYR 21 29.509 -7.867 11.549
127 HH TYR 21 HH TYR 21 28.147 -9.333 13.338
128 H THR 22 HN THR 22 34.685 -9.465 13.259
129 HA THR 22 HA THR 22 33.393 -6.823 13.328
130 HB THR 22 HB THR 22 33.978 -8.816 15.530
131 HG1 THR 22 HG1 THR 22 32.112 -9.555 14.979
132 HG21 THR 22 HG21 THR 22 33.981 -6.837 16.717
133 HG22 THR 22 HG22 THR 22 32.243 -7.129 16.649
134 HG23 THR 22 HG23 THR 22 32.992 -5.998 15.523
135 H ASP 23 HN ASP 23 36.430 -8.020 13.082
136 HA ASP 23 HA ASP 23 37.573 -5.653 14.409
137 HB2 ASP 23 HB2 ASP 23 37.863 -8.303 15.353
138 HB3 ASP 23 HB1 ASP 23 39.402 -7.858 14.617
139 H TRP 24 HN TRP 24 36.974 -6.657 11.589
140 HA TRP 24 HA TRP 24 39.115 -7.394 10.094
141 HB2 TRP 24 HB2 TRP 24 38.135 -5.404 8.511
142 HB3 TRP 24 HB1 TRP 24 37.400 -6.996 8.670
143 HD1 TRP 24 HD1 TRP 24 37.289 -4.126 11.250
144 HE1 TRP 24 HE1 TRP 24 34.820 -3.542 11.698
145 HE3 TRP 24 HE3 TRP 24 35.028 -7.202 7.859
146 HZ2 TRP 24 HZ2 TRP 24 32.226 -4.283 10.744
147 HZ3 TRP 24 HZ3 TRP 24 32.559 -7.244 7.650
148 HH2 TRP 24 HH2 TRP 24 31.157 -5.789 9.087
149 H LYS 25 HN LYS 25 38.458 -3.954 9.850
150 HA LYS 25 HA LYS 25 41.308 -3.398 9.843
151 HB2 LYS 25 HB2 LYS 25 40.402 -1.003 9.476
152 HB3 LYS 25 HB1 LYS 25 40.183 -2.190 8.190
153 HG2 LYS 25 HG2 LYS 25 37.924 -2.236 8.447
154 HG3 LYS 25 HG1 LYS 25 38.027 -2.155 10.207
155 HD2 LYS 25 HD2 LYS 25 38.513 0.240 10.094
156 HD3 LYS 25 HD1 LYS 25 38.479 0.180 8.333
157 HE2 LYS 25 HE2 LYS 25 36.072 -0.993 9.452
158 HE3 LYS 25 HE1 LYS 25 36.295 0.657 10.032
159 HZ1 LYS 25 HZ1 LYS 25 36.874 1.025 7.500
160 HZ2 LYS 25 HZ2 LYS 25 35.275 1.088 8.070
161 HZ3 LYS 25 HZ3 LYS 25 35.855 -0.318 7.314
162 H SER 26 HN SER 26 39.099 -1.073 11.174
163 HA SER 26 HA SER 26 39.122 0.071 13.167
164 HB2 SER 26 HB2 SER 26 39.901 -2.226 14.806
165 HB3 SER 26 HB1 SER 26 38.435 -1.252 14.857
166 HG SER 26 HG SER 26 37.492 -2.578 13.476
167 H SER 27 HN SER 27 41.650 -0.202 11.673
168 HA SER 27 HA SER 27 43.895 0.236 11.923
169 HB2 SER 27 HB2 SER 27 42.840 2.243 13.027
170 HB3 SER 27 HB1 SER 27 43.052 1.426 14.572
171 HG SER 27 HG SER 27 45.353 1.193 13.556
172 H GLY 28 HN GLY 28 43.020 -2.342 12.792
173 HA2 GLY 28 HA2 GLY 28 44.131 -4.170 13.706
174 HA3 GLY 28 HA1 GLY 28 45.295 -3.063 14.429
175 H ALA 29 HN ALA 29 42.106 -2.124 15.035
176 HA ALA 29 HA ALA 29 40.963 -1.929 17.032
177 HB1 ALA 29 HB1 ALA 29 40.155 -4.098 16.333
178 HB2 ALA 29 HB2 ALA 29 40.437 -4.142 18.073
179 HB3 ALA 29 HB3 ALA 29 41.596 -4.888 16.972
180 H LEU 30 HN LEU 30 43.495 -1.019 17.384
181 HA LEU 30 HA LEU 30 44.108 -1.933 20.121
182 HB2 LEU 30 HB2 LEU 30 46.023 -1.563 17.826
183 HB3 LEU 30 HB1 LEU 30 46.561 -1.426 19.500
184 HG LEU 30 HG LEU 30 44.901 -3.800 18.795
185 HD11 LEU 30 HD11 LEU 30 46.440 -3.737 16.907
186 HD12 LEU 30 HD12 LEU 30 46.958 -5.000 18.024
187 HD13 LEU 30 HD13 LEU 30 47.804 -3.454 17.989
188 HD21 LEU 30 HD21 LEU 30 47.469 -3.702 20.367
189 HD22 LEU 30 HD22 LEU 30 46.099 -4.795 20.558
190 HD23 LEU 30 HD23 LEU 30 45.967 -3.115 21.080
191 H ILE 31 HN ILE 31 42.551 0.078 20.095
192 HA ILE 31 HA ILE 31 43.741 2.192 21.352
193 HB ILE 31 HB ILE 31 44.187 2.392 18.492
194 HG12 ILE 31 HG12 ILE 31 45.789 2.830 20.406
195 HG13 ILE 31 HG11 ILE 31 45.748 4.089 19.178
196 HG21 ILE 31 HG21 ILE 31 42.123 3.689 18.365
197 HG22 ILE 31 HG22 ILE 31 43.503 4.769 18.231
198 HG23 ILE 31 HG23 ILE 31 42.613 4.673 19.744
199 HD11 ILE 31 HD11 ILE 31 45.453 4.488 21.900
200 HD12 ILE 31 HD12 ILE 31 43.787 4.515 21.321
201 HD13 ILE 31 HD13 ILE 31 44.974 5.629 20.644
202 HA PRO 32 HA PRO 32 39.289 3.365 19.779
203 HB2 PRO 32 HB2 PRO 32 38.301 0.761 18.799
204 HB3 PRO 32 HB1 PRO 32 38.175 2.364 18.054
205 HG2 PRO 32 HG2 PRO 32 39.781 0.463 17.071
206 HG3 PRO 32 HG1 PRO 32 40.203 2.185 17.005
207 HD2 PRO 32 HD2 PRO 32 41.211 0.067 18.879
208 HD3 PRO 32 HD1 PRO 32 42.103 1.393 18.102
209 H ALA 33 HN ALA 33 39.572 -0.086 20.673
210 HA ALA 33 HA ALA 33 37.404 -0.406 22.306
211 HB1 ALA 33 HB1 ALA 33 40.189 -1.505 22.413
212 HB2 ALA 33 HB2 ALA 33 38.670 -2.336 22.077
213 HB3 ALA 33 HB3 ALA 33 39.070 -1.864 23.729
214 H ILE 34 HN ILE 34 40.127 1.638 22.840
215 HA ILE 34 HA ILE 34 39.648 1.915 25.698
216 HB ILE 34 HB ILE 34 41.430 3.677 24.030
217 HG12 ILE 34 HG12 ILE 34 42.019 0.904 25.116
218 HG13 ILE 34 HG11 ILE 34 41.983 1.374 23.416
219 HG21 ILE 34 HG21 ILE 34 40.919 4.121 26.489
220 HG22 ILE 34 HG22 ILE 34 42.628 3.953 26.085
221 HG23 ILE 34 HG23 ILE 34 41.766 2.614 26.844
222 HD11 ILE 34 HD11 ILE 34 43.803 3.068 23.975
223 HD12 ILE 34 HD12 ILE 34 44.290 1.376 24.055
224 HD13 ILE 34 HD13 ILE 34 43.947 2.265 25.538
225 H TYR 35 HN TYR 35 39.195 3.778 22.725
226 HA TYR 35 HA TYR 35 38.200 6.131 23.973
227 HB2 TYR 35 HB2 TYR 35 38.566 5.122 21.273
228 HB3 TYR 35 HB1 TYR 35 37.043 5.997 21.437
229 HD1 TYR 35 HD1 TYR 35 37.261 8.212 22.970
230 HD2 TYR 35 HD2 TYR 35 40.448 6.394 20.735
231 HE1 TYR 35 HE1 TYR 35 38.486 10.368 22.961
232 HE2 TYR 35 HE2 TYR 35 41.672 8.550 20.728
233 HH TYR 35 HH TYR 35 40.269 11.462 21.446
234 H MET 36 HN MET 36 36.508 3.504 22.242
235 HA MET 36 HA MET 36 33.894 4.326 22.764
236 HB2 MET 36 HB2 MET 36 33.358 1.842 22.530
237 HB3 MET 36 HB1 MET 36 34.225 2.579 21.182
238 HG2 MET 36 HG2 MET 36 36.052 1.309 21.526
239 HG3 MET 36 HG1 MET 36 36.010 1.578 23.270
240 HE1 MET 36 HE1 MET 36 35.775 -0.627 24.788
241 HE2 MET 36 HE2 MET 36 34.071 -1.078 24.829
242 HE3 MET 36 HE3 MET 36 34.526 0.624 24.818
243 H LEU 37 HN LEU 37 36.262 3.036 24.882
244 HA LEU 37 HA LEU 37 34.312 2.160 26.871
245 HB2 LEU 37 HB2 LEU 37 36.418 0.873 26.477
246 HB3 LEU 37 HB1 LEU 37 37.334 2.265 27.047
247 HG LEU 37 HG LEU 37 36.124 2.140 29.223
248 HD11 LEU 37 HD11 LEU 37 34.732 -0.070 27.768
249 HD12 LEU 37 HD12 LEU 37 34.092 1.079 28.942
250 HD13 LEU 37 HD13 LEU 37 35.052 -0.297 29.486
251 HD21 LEU 37 HD21 LEU 37 38.127 1.061 29.504
252 HD22 LEU 37 HD22 LEU 37 37.855 -0.020 28.136
253 HD23 LEU 37 HD23 LEU 37 37.077 -0.344 29.685
254 H VAL 38 HN VAL 38 36.506 4.813 26.219
255 HA VAL 38 HA VAL 38 35.933 6.031 28.825
256 HB VAL 38 HB VAL 38 37.809 6.828 26.588
257 HG11 VAL 38 HG11 VAL 38 38.633 8.334 28.614
258 HG12 VAL 38 HG12 VAL 38 36.948 8.188 29.115
259 HG13 VAL 38 HG13 VAL 38 37.345 8.890 27.546
260 HG21 VAL 38 HG21 VAL 38 38.402 4.814 27.980
261 HG22 VAL 38 HG22 VAL 38 38.368 5.851 29.406
262 HG23 VAL 38 HG23 VAL 38 39.552 6.142 28.132
263 H PHE 39 HN PHE 39 34.486 5.889 25.875
264 HA PHE 39 HA PHE 39 33.777 8.687 25.592
265 HB2 PHE 39 HB2 PHE 39 33.517 6.260 24.022
266 HB3 PHE 39 HB1 PHE 39 32.009 7.173 24.052
267 HD1 PHE 39 HD2 PHE 39 32.400 9.845 23.876
268 HD2 PHE 39 HD1 PHE 39 35.038 6.819 22.346
269 HE1 PHE 39 HE2 PHE 39 33.349 11.483 22.274
270 HE2 PHE 39 HE1 PHE 39 35.987 8.457 20.744
271 HZ PHE 39 HZ PHE 39 35.143 10.788 20.707
272 H LEU 40 HN LEU 40 32.555 5.893 27.214
273 HA LEU 40 HA LEU 40 30.004 7.275 27.781
274 HB2 LEU 40 HB2 LEU 40 29.943 4.624 28.778
275 HB3 LEU 40 HB1 LEU 40 29.038 5.289 27.422
276 HG LEU 40 HG LEU 40 31.871 4.223 27.206
277 HD11 LEU 40 HD11 LEU 40 30.386 2.383 27.749
278 HD12 LEU 40 HD12 LEU 40 30.758 2.306 26.026
279 HD13 LEU 40 HD13 LEU 40 29.201 2.938 26.565
280 HD21 LEU 40 HD21 LEU 40 31.817 5.095 25.126
281 HD22 LEU 40 HD22 LEU 40 30.268 5.845 25.507
282 HD23 LEU 40 HD23 LEU 40 30.316 4.239 24.780
283 H LEU 41 HN LEU 41 32.665 5.460 29.258
284 HA LEU 41 HA LEU 41 31.763 6.173 31.939
285 HB2 LEU 41 HB2 LEU 41 33.895 4.399 30.796
286 HB3 LEU 41 HB1 LEU 41 34.012 4.915 32.475
287 HG LEU 41 HG LEU 41 32.812 2.718 32.146
288 HD11 LEU 41 HD11 LEU 41 31.690 3.176 34.047
289 HD12 LEU 41 HD12 LEU 41 30.612 4.291 33.211
290 HD13 LEU 41 HD13 LEU 41 32.156 4.862 33.837
291 HD21 LEU 41 HD21 LEU 41 30.718 2.625 31.055
292 HD22 LEU 41 HD22 LEU 41 31.705 3.624 29.988
293 HD23 LEU 41 HD23 LEU 41 30.534 4.378 31.071
294 H GLY 42 HN GLY 42 32.831 8.132 29.865
295 HA2 GLY 42 HA2 GLY 42 34.862 9.380 31.621
296 HA3 GLY 42 HA1 GLY 42 35.050 9.362 29.871
297 H THR 43 HN THR 43 31.865 9.619 30.120
298 HA THR 43 HA THR 43 31.938 12.536 29.867
299 HB THR 43 HB THR 43 30.729 11.692 28.081
300 HG1 THR 43 HG1 THR 43 28.537 11.690 29.798
301 HG21 THR 43 HG21 THR 43 28.993 9.822 28.493
302 HG22 THR 43 HG22 THR 43 29.807 9.595 30.040
303 HG23 THR 43 HG23 THR 43 30.699 9.378 28.536
304 H THR 44 HN THR 44 29.000 10.996 30.833
305 HA THR 44 HA THR 44 28.233 12.709 32.791
306 HB THR 44 HB THR 44 26.881 10.883 33.745
307 HG1 THR 44 HG1 THR 44 28.384 9.240 31.990
308 HG21 THR 44 HG21 THR 44 26.400 11.993 31.476
309 HG22 THR 44 HG22 THR 44 25.597 10.457 31.799
310 HG23 THR 44 HG23 THR 44 27.017 10.507 30.754
311 H GLY 45 HN GLY 45 28.947 9.600 34.179
312 HA2 GLY 45 HA2 GLY 45 31.268 10.469 35.655
313 HA3 GLY 45 HA1 GLY 45 29.803 10.422 36.632
314 H ASN 46 HN ASN 46 28.563 8.339 36.556
315 HA ASN 46 HA ASN 46 28.601 6.121 37.218
316 HB2 ASN 46 HB2 ASN 46 29.864 6.219 34.497
317 HB3 ASN 46 HB1 ASN 46 29.713 4.682 35.345
318 HD21 ASN 46 HD21 ASN 46 27.760 7.474 34.205
319 HD22 ASN 46 HD22 ASN 46 26.318 6.592 34.054
320 H GLY 47 HN GLY 47 30.991 7.866 37.958
321 HA2 GLY 47 HA2 GLY 47 32.701 5.637 38.831
322 HA3 GLY 47 HA1 GLY 47 33.450 7.000 38.005
323 H LEU 48 HN LEU 48 32.139 9.154 39.029
324 HA LEU 48 HA LEU 48 33.106 9.165 41.794
325 HB2 LEU 48 HB2 LEU 48 32.987 11.084 39.652
326 HB3 LEU 48 HB1 LEU 48 32.151 11.721 41.069
327 HG LEU 48 HG LEU 48 34.924 10.499 41.144
328 HD11 LEU 48 HD11 LEU 48 35.629 12.458 40.274
329 HD12 LEU 48 HD12 LEU 48 35.059 13.229 41.754
330 HD13 LEU 48 HD13 LEU 48 34.006 13.141 40.343
331 HD21 LEU 48 HD21 LEU 48 34.706 10.630 43.383
332 HD22 LEU 48 HD22 LEU 48 33.016 11.080 43.158
333 HD23 LEU 48 HD23 LEU 48 34.254 12.331 43.270
334 H VAL 49 HN VAL 49 30.169 9.773 39.919
335 HA VAL 49 HA VAL 49 28.497 10.748 41.913
336 HB VAL 49 HB VAL 49 27.792 8.868 39.646
337 HG11 VAL 49 HG11 VAL 49 26.187 10.449 41.624
338 HG12 VAL 49 HG12 VAL 49 25.876 8.844 40.962
339 HG13 VAL 49 HG13 VAL 49 25.575 10.277 39.980
340 HG21 VAL 49 HG21 VAL 49 28.786 11.512 39.627
341 HG22 VAL 49 HG22 VAL 49 27.055 11.646 39.317
342 HG23 VAL 49 HG23 VAL 49 28.062 10.638 38.277
343 H LEU 50 HN LEU 50 30.065 7.774 41.812
344 HA LEU 50 HA LEU 50 28.042 6.381 43.413
345 HB2 LEU 50 HB2 LEU 50 30.747 5.357 42.534
346 HB3 LEU 50 HB1 LEU 50 29.368 4.412 43.098
347 HG LEU 50 HG LEU 50 29.437 6.087 40.570
348 HD11 LEU 50 HD11 LEU 50 29.118 3.100 40.701
349 HD12 LEU 50 HD12 LEU 50 30.731 3.811 40.762
350 HD13 LEU 50 HD13 LEU 50 29.692 4.098 39.366
351 HD21 LEU 50 HD21 LEU 50 27.302 4.507 41.986
352 HD22 LEU 50 HD22 LEU 50 27.262 4.660 40.229
353 HD23 LEU 50 HD23 LEU 50 27.191 6.103 41.242
354 H TRP 51 HN TRP 51 31.100 8.015 43.714
355 HA TRP 51 HA TRP 51 31.879 6.946 46.232
356 HB2 TRP 51 HB2 TRP 51 33.720 8.099 45.692
357 HB3 TRP 51 HB1 TRP 51 32.860 8.891 44.372
358 HD1 TRP 51 HD1 TRP 51 31.435 11.135 45.051
359 HE1 TRP 51 HE1 TRP 51 31.961 12.934 46.821
360 HE3 TRP 51 HE3 TRP 51 34.792 8.582 47.930
361 HZ2 TRP 51 HZ2 TRP 51 33.592 13.248 49.150
362 HZ3 TRP 51 HZ3 TRP 51 35.815 9.654 49.916
363 HH2 TRP 51 HH2 TRP 51 35.220 11.981 50.530
364 H THR 52 HN THR 52 29.496 9.230 45.282
365 HA THR 52 HA THR 52 29.346 10.471 47.924
366 HB THR 52 HB THR 52 28.998 11.701 45.689
367 HG1 THR 52 HG1 THR 52 27.850 13.101 46.801
368 HG21 THR 52 HG21 THR 52 27.305 9.753 45.065
369 HG22 THR 52 HG22 THR 52 27.033 11.403 44.504
370 HG23 THR 52 HG23 THR 52 26.157 10.793 45.908
371 H VAL 53 HN VAL 53 27.881 7.929 46.100
372 HA VAL 53 HA VAL 53 25.407 7.813 47.539
373 HB VAL 53 HB VAL 53 26.870 5.840 45.781
374 HG11 VAL 53 HG11 VAL 53 24.420 4.795 45.885
375 HG12 VAL 53 HG12 VAL 53 24.434 5.529 47.489
376 HG13 VAL 53 HG13 VAL 53 25.658 4.336 47.054
377 HG21 VAL 53 HG21 VAL 53 24.169 6.989 45.219
378 HG22 VAL 53 HG22 VAL 53 25.467 6.575 44.099
379 HG23 VAL 53 HG23 VAL 53 25.561 8.058 45.051
380 H PHE 54 HN PHE 54 28.286 5.696 47.590
381 HA PHE 54 HA PHE 54 27.530 4.160 49.806
382 HB2 PHE 54 HB2 PHE 54 29.517 3.147 49.477
383 HB3 PHE 54 HB1 PHE 54 29.687 4.218 48.085
384 HD1 PHE 54 HD2 PHE 54 30.923 6.379 48.311
385 HD2 PHE 54 HD1 PHE 54 30.814 3.470 51.469
386 HE1 PHE 54 HE2 PHE 54 32.856 7.488 49.399
387 HE2 PHE 54 HE1 PHE 54 32.748 4.580 52.557
388 HZ PHE 54 HZ PHE 54 33.768 6.588 51.521
389 H ARG 55 HN ARG 55 28.783 7.383 49.605
390 HA ARG 55 HA ARG 55 29.708 7.533 52.326
391 HB2 ARG 55 HB2 ARG 55 30.538 8.983 50.436
392 HB3 ARG 55 HB1 ARG 55 28.989 9.823 50.489
393 HG2 ARG 55 HG2 ARG 55 29.878 11.139 52.089
394 HG3 ARG 55 HG1 ARG 55 29.812 9.736 53.156
395 HD2 ARG 55 HD2 ARG 55 32.068 9.051 52.215
396 HD3 ARG 55 HD1 ARG 55 32.133 10.627 51.430
397 HE ARG 55 HE ARG 55 31.599 10.803 54.258
398 HH11 ARG 55 HH21 ARG 55 34.014 10.461 51.803
399 HH12 ARG 55 HH22 ARG 55 35.285 11.141 52.764
400 HH21 ARG 55 HH11 ARG 55 33.260 11.696 55.524
401 HH22 ARG 55 HH12 ARG 55 34.858 11.840 54.871
402 H LYS 56 HN LYS 56 26.941 8.998 50.603
403 HA LYS 56 HA LYS 56 25.614 10.229 52.628
404 HB2 LYS 56 HB2 LYS 56 24.403 8.503 50.456
405 HB3 LYS 56 HB1 LYS 56 23.494 9.640 51.454
406 HG2 LYS 56 HG2 LYS 56 25.901 10.821 50.258
407 HG3 LYS 56 HG1 LYS 56 24.732 10.262 49.061
408 HD2 LYS 56 HD2 LYS 56 22.982 11.600 50.019
409 HD3 LYS 56 HD1 LYS 56 23.969 11.984 51.430
410 HE2 LYS 56 HE2 LYS 56 25.229 13.540 50.302
411 HE3 LYS 56 HE1 LYS 56 25.102 12.682 48.766
412 HZ1 LYS 56 HZ1 LYS 56 22.657 13.814 49.900
413 HZ2 LYS 56 HZ2 LYS 56 23.126 13.651 48.276
414 HZ3 LYS 56 HZ3 LYS 56 23.780 14.895 49.230
415 H LYS 57 HN LYS 57 25.733 6.754 52.012
416 HA LYS 57 HA LYS 57 23.938 6.177 54.230
417 HB2 LYS 57 HB2 LYS 57 25.514 4.359 52.392
418 HB3 LYS 57 HB1 LYS 57 24.365 3.809 53.613
419 HG2 LYS 57 HG2 LYS 57 22.559 4.412 52.367
420 HG3 LYS 57 HG1 LYS 57 23.328 5.892 51.793
421 HD2 LYS 57 HD2 LYS 57 24.499 4.754 50.077
422 HD3 LYS 57 HD1 LYS 57 24.216 3.177 50.816
423 HE2 LYS 57 HE2 LYS 57 21.782 4.723 50.132
424 HE3 LYS 57 HE1 LYS 57 22.730 4.149 48.760
425 HZ1 LYS 57 HZ1 LYS 57 21.557 2.280 49.106
426 HZ2 LYS 57 HZ2 LYS 57 21.219 2.646 50.729
427 HZ3 LYS 57 HZ3 LYS 57 22.722 1.983 50.301
428 H GLY 58 HN GLY 58 26.206 7.610 55.033
429 HA2 GLY 58 HA2 GLY 58 28.111 5.719 56.165
430 HA3 GLY 58 HA1 GLY 58 28.162 7.474 56.313
431 H HIS 59 HN HIS 59 25.354 7.638 57.172
432 HA HIS 59 HA HIS 59 25.288 6.195 59.708
433 HB2 HIS 59 HB2 HIS 59 25.460 9.210 59.534
434 HB3 HIS 59 HB1 HIS 59 24.963 8.331 60.980
435 HD2 HIS 59 HD2 HIS 59 28.231 8.833 58.816
436 HE1 HIS 59 HE1 HIS 59 29.302 6.995 62.462
437 HE2 HIS 59 HE2 HIS 59 30.204 8.028 60.325
438 H HIS 60 HN HIS 60 23.810 8.556 57.532
439 HA HIS 60 HA HIS 60 21.304 8.889 58.541
440 HB2 HIS 60 HB2 HIS 60 22.391 9.564 56.218
441 HB3 HIS 60 HB1 HIS 60 21.482 8.164 55.650
442 HD2 HIS 60 HD2 HIS 60 18.621 8.413 55.927
443 HE1 HIS 60 HE1 HIS 60 18.700 12.542 56.807
444 HE2 HIS 60 HE2 HIS 60 17.199 10.586 56.198
445 H HIS 61 HN HIS 61 19.804 7.538 59.273
446 HA HIS 61 HA HIS 61 19.840 4.812 59.298
447 HB2 HIS 61 HB2 HIS 61 17.670 6.834 59.477
448 HB3 HIS 61 HB1 HIS 61 17.180 5.160 59.214
449 HD2 HIS 61 HD2 HIS 61 18.165 7.381 62.138
450 HE1 HIS 61 HE1 HIS 61 18.812 3.423 63.457
451 HE2 HIS 61 HE2 HIS 61 18.645 5.847 64.196
452 H HIS 62 HN HIS 62 19.182 3.141 58.000
453 HA HIS 62 HA HIS 62 17.725 3.555 55.563
454 HB2 HIS 62 HB2 HIS 62 20.658 3.550 55.531
455 HB3 HIS 62 HB1 HIS 62 19.932 2.374 54.434
456 HD2 HIS 62 HD2 HIS 62 20.595 6.150 54.567
457 HE1 HIS 62 HE1 HIS 62 17.782 5.555 51.476
458 HE2 HIS 62 HE2 HIS 62 19.358 7.237 52.542
459 H HIS 63 HN HIS 63 18.669 1.739 58.114
460 HA HIS 63 HA HIS 63 18.643 -0.517 58.637
461 HB2 HIS 63 HB2 HIS 63 16.529 -1.480 58.278
462 HB3 HIS 63 HB1 HIS 63 16.206 0.253 58.242
463 HD2 HIS 63 HD2 HIS 63 15.318 1.236 55.761
464 HE1 HIS 63 HE1 HIS 63 15.578 -2.412 53.654
465 HE2 HIS 63 HE2 HIS 63 14.775 -0.007 53.530
466 H HIS 64 HN HIS 64 17.781 -2.743 57.227
467 HA HIS 64 HA HIS 64 18.816 -2.989 54.617
468 HB2 HIS 64 HB2 HIS 64 20.859 -4.372 55.247
469 HB3 HIS 64 HB1 HIS 64 21.004 -2.631 55.481
470 HD2 HIS 64 HD2 HIS 64 22.928 -4.117 57.497
471 HE1 HIS 64 HE1 HIS 64 19.839 -3.959 60.370
472 HE2 HIS 64 HE2 HIS 64 22.329 -4.321 60.030
Start of MODEL 39
1 H1 MET 1 HT1 MET 1 11.283 13.514 23.829
2 H2 MET 1 HT2 MET 1 10.077 12.323 23.726
3 H3 MET 1 HT3 MET 1 10.017 13.685 22.713
4 HA MET 1 HA MET 1 11.906 11.410 22.615
5 HB2 MET 1 HB2 MET 1 10.141 12.704 20.514
6 HB3 MET 1 HB1 MET 1 11.096 11.233 20.319
7 HG2 MET 1 HG2 MET 1 9.182 10.168 20.928
8 HG3 MET 1 HG1 MET 1 9.644 10.638 22.564
9 HE1 MET 1 HE1 MET 1 5.784 11.361 20.800
10 HE2 MET 1 HE2 MET 1 6.716 9.978 21.369
11 HE3 MET 1 HE3 MET 1 7.134 10.743 19.837
12 H GLU 2 HN GLU 2 13.078 13.701 23.488
13 HA GLU 2 HA GLU 2 14.709 15.253 23.022
14 HB2 GLU 2 HB2 GLU 2 15.088 13.309 20.740
15 HB3 GLU 2 HB1 GLU 2 16.190 14.647 21.064
16 HG2 GLU 2 HG2 GLU 2 16.724 13.779 23.245
17 HG3 GLU 2 HG1 GLU 2 15.449 12.566 23.135
18 H GLU 3 HN GLU 3 13.726 17.167 22.605
19 HA GLU 3 HA GLU 3 13.665 18.108 19.899
20 HB2 GLU 3 HB2 GLU 3 11.567 17.044 19.675
21 HB3 GLU 3 HB1 GLU 3 11.071 17.493 21.307
22 HG2 GLU 3 HG2 GLU 3 10.617 19.692 20.713
23 HG3 GLU 3 HG1 GLU 3 11.736 19.665 19.352
24 H GLY 4 HN GLY 4 14.899 19.821 20.560
25 HA2 GLY 4 HA2 GLY 4 14.005 22.222 21.223
26 HA3 GLY 4 HA1 GLY 4 14.013 21.464 22.814
27 H GLY 5 HN GLY 5 16.357 19.810 22.211
28 HA2 GLY 5 HA2 GLY 5 18.397 21.852 22.711
29 HA3 GLY 5 HA1 GLY 5 18.563 20.122 22.996
30 H ASP 6 HN ASP 6 20.672 20.578 21.881
31 HA ASP 6 HA ASP 6 22.034 20.625 20.011
32 HB2 ASP 6 HB2 ASP 6 21.100 18.292 20.089
33 HB3 ASP 6 HB1 ASP 6 19.880 18.803 18.924
34 H PHE 7 HN PHE 7 21.226 22.941 19.746
35 HA PHE 7 HA PHE 7 20.374 23.262 16.977
36 HB2 PHE 7 HB2 PHE 7 18.400 23.356 18.828
37 HB3 PHE 7 HB1 PHE 7 18.926 25.039 18.848
38 HD1 PHE 7 HD2 PHE 7 18.891 26.392 16.760
39 HD2 PHE 7 HD1 PHE 7 17.302 22.404 16.907
40 HE1 PHE 7 HE2 PHE 7 17.688 26.793 14.629
41 HE2 PHE 7 HE1 PHE 7 16.099 22.805 14.776
42 HZ PHE 7 HZ PHE 7 16.293 25.000 13.637
43 H ASP 8 HN ASP 8 20.763 25.416 16.165
44 HA ASP 8 HA ASP 8 22.206 27.183 15.858
45 HB2 ASP 8 HB2 ASP 8 20.511 27.874 17.753
46 HB3 ASP 8 HB1 ASP 8 21.950 27.817 18.769
47 H ASN 9 HN ASN 9 23.498 24.737 16.383
48 HA ASN 9 HA ASN 9 26.021 25.750 17.459
49 HB2 ASN 9 HB2 ASN 9 24.707 24.614 19.331
50 HB3 ASN 9 HB1 ASN 9 24.932 23.112 18.437
51 HD21 ASN 9 HD21 ASN 9 27.052 22.160 18.419
52 HD22 ASN 9 HD22 ASN 9 28.334 22.776 19.345
53 H TYR 10 HN TYR 10 25.713 25.447 14.864
54 HA TYR 10 HA TYR 10 27.503 23.302 14.207
55 HB2 TYR 10 HB2 TYR 10 24.603 23.167 13.484
56 HB3 TYR 10 HB1 TYR 10 25.801 22.538 12.353
57 HD1 TYR 10 HD2 TYR 10 27.503 20.831 13.210
58 HD2 TYR 10 HD1 TYR 10 23.976 21.930 15.401
59 HE1 TYR 10 HE2 TYR 10 27.706 18.768 14.570
60 HE2 TYR 10 HE1 TYR 10 24.179 19.866 16.762
61 HH TYR 10 HH TYR 10 26.115 17.288 15.911
62 H TYR 11 HN TYR 11 28.436 25.569 13.832
63 HA TYR 11 HA TYR 11 27.594 27.237 11.755
64 HB2 TYR 11 HB2 TYR 11 30.399 26.657 12.736
65 HB3 TYR 11 HB1 TYR 11 29.961 27.999 11.679
66 HD1 TYR 11 HD2 TYR 11 29.404 26.520 15.044
67 HD2 TYR 11 HD1 TYR 11 28.927 29.974 12.535
68 HE1 TYR 11 HE2 TYR 11 28.742 27.865 17.020
69 HE2 TYR 11 HE1 TYR 11 28.266 31.318 14.511
70 HH TYR 11 HH TYR 11 27.750 29.827 17.659
71 H GLY 12 HN GLY 12 29.454 27.533 9.865
72 HA2 GLY 12 HA2 GLY 12 29.096 25.128 8.229
73 HA3 GLY 12 HA1 GLY 12 29.551 26.726 7.645
74 H ALA 13 HN ALA 13 30.833 24.291 9.926
75 HA ALA 13 HA ALA 13 33.562 25.017 9.247
76 HB1 ALA 13 HB1 ALA 13 32.421 22.904 11.088
77 HB2 ALA 13 HB2 ALA 13 33.085 24.468 11.556
78 HB3 ALA 13 HB3 ALA 13 34.144 23.225 10.890
79 H ASP 14 HN ASP 14 32.390 24.214 6.950
80 HA ASP 14 HA ASP 14 32.924 21.381 6.515
81 HB2 ASP 14 HB2 ASP 14 32.147 23.454 4.460
82 HB3 ASP 14 HB1 ASP 14 31.977 21.704 4.345
83 H ASN 15 HN ASN 15 35.239 22.524 7.304
84 HA ASN 15 HA ASN 15 36.870 22.311 4.885
85 HB2 ASN 15 HB2 ASN 15 36.266 24.798 5.537
86 HB3 ASN 15 HB1 ASN 15 37.524 24.556 6.749
87 HD21 ASN 15 HD21 ASN 15 39.505 25.285 5.985
88 HD22 ASN 15 HD22 ASN 15 40.042 25.151 4.380
89 H GLN 16 HN GLN 16 36.616 20.386 6.793
90 HA GLN 16 HA GLN 16 38.691 20.656 8.798
91 HB2 GLN 16 HB2 GLN 16 38.133 18.222 9.222
92 HB3 GLN 16 HB1 GLN 16 36.791 19.348 9.428
93 HG2 GLN 16 HG2 GLN 16 37.084 18.336 6.681
94 HG3 GLN 16 HG1 GLN 16 36.708 17.087 7.867
95 HE21 GLN 16 HE21 GLN 16 35.346 19.613 5.977
96 HE22 GLN 16 HE22 GLN 16 33.821 19.649 6.720
97 H SER 17 HN SER 17 38.420 19.535 5.548
98 HA SER 17 HA SER 17 39.858 18.381 4.157
99 HB2 SER 17 HB2 SER 17 41.653 19.695 3.814
100 HB3 SER 17 HB1 SER 17 41.076 20.648 5.179
101 HG SER 17 HG SER 17 43.327 19.383 5.030
102 H GLU 18 HN GLU 18 42.326 17.316 4.382
103 HA GLU 18 HA GLU 18 41.866 15.110 6.255
104 HB2 GLU 18 HB2 GLU 18 43.538 15.492 3.797
105 HB3 GLU 18 HB1 GLU 18 43.958 14.220 4.945
106 HG2 GLU 18 HG2 GLU 18 42.418 13.439 3.130
107 HG3 GLU 18 HG1 GLU 18 41.746 13.237 4.748
108 H CYS 19 HN CYS 19 43.575 14.312 7.609
109 HA CYS 19 HA CYS 19 46.027 15.657 8.015
110 HB2 CYS 19 HB2 CYS 19 45.445 16.673 10.260
111 HB3 CYS 19 HB1 CYS 19 44.779 17.515 8.861
112 HG CYS 19 HG CYS 19 42.829 17.155 10.579
113 H GLU 20 HN GLU 20 47.136 14.905 9.999
114 HA GLU 20 HA GLU 20 47.856 13.166 11.316
115 HB2 GLU 20 HB2 GLU 20 44.877 12.873 11.770
116 HB3 GLU 20 HB1 GLU 20 46.134 12.115 12.748
117 HG2 GLU 20 HG2 GLU 20 46.664 14.060 13.809
118 HG3 GLU 20 HG1 GLU 20 46.446 15.027 12.352
119 H TYR 21 HN TYR 21 46.473 12.714 8.455
120 HA TYR 21 HA TYR 21 45.830 9.926 8.470
121 HB2 TYR 21 HB2 TYR 21 45.576 10.132 6.137
122 HB3 TYR 21 HB1 TYR 21 45.118 11.717 6.760
123 HD1 TYR 21 HD1 TYR 21 46.922 13.546 6.843
124 HD2 TYR 21 HD2 TYR 21 47.349 9.911 4.595
125 HE1 TYR 21 HE1 TYR 21 48.707 14.599 5.482
126 HE2 TYR 21 HE2 TYR 21 49.134 10.963 3.233
127 HH TYR 21 HH TYR 21 49.851 14.377 3.466
128 H THR 22 HN THR 22 48.599 11.112 9.343
129 HA THR 22 HA THR 22 50.373 9.571 7.600
130 HB THR 22 HB THR 22 50.815 11.521 9.854
131 HG1 THR 22 HG1 THR 22 51.991 11.485 7.303
132 HG21 THR 22 HG21 THR 22 52.516 10.025 10.379
133 HG22 THR 22 HG22 THR 22 53.317 11.040 9.179
134 HG23 THR 22 HG23 THR 22 52.675 9.465 8.714
135 H ASP 23 HN ASP 23 49.507 9.747 11.054
136 HA ASP 23 HA ASP 23 50.649 7.052 11.427
137 HB2 ASP 23 HB2 ASP 23 51.128 9.236 12.905
138 HB3 ASP 23 HB1 ASP 23 49.692 8.651 13.743
139 H TRP 24 HN TRP 24 48.039 7.647 10.157
140 HA TRP 24 HA TRP 24 45.837 7.274 11.783
141 HB2 TRP 24 HB2 TRP 24 44.954 5.927 9.712
142 HB3 TRP 24 HB1 TRP 24 45.291 7.649 9.563
143 HD1 TRP 24 HD1 TRP 24 48.232 5.260 9.733
144 HE1 TRP 24 HE1 TRP 24 49.395 5.190 7.438
145 HE3 TRP 24 HE3 TRP 24 44.853 7.894 6.953
146 HZ2 TRP 24 HZ2 TRP 24 48.953 6.126 4.770
147 HZ3 TRP 24 HZ3 TRP 24 45.250 8.290 4.539
148 HH2 TRP 24 HH2 TRP 24 47.293 7.410 3.445
149 H LYS 25 HN LYS 25 46.175 4.487 9.817
150 HA LYS 25 HA LYS 25 45.564 2.687 11.885
151 HB2 LYS 25 HB2 LYS 25 46.304 0.929 10.239
152 HB3 LYS 25 HB1 LYS 25 45.105 2.059 9.612
153 HG2 LYS 25 HG2 LYS 25 47.895 2.941 9.239
154 HG3 LYS 25 HG1 LYS 25 47.493 1.458 8.376
155 HD2 LYS 25 HD2 LYS 25 45.635 3.825 8.229
156 HD3 LYS 25 HD1 LYS 25 47.071 3.766 7.213
157 HE2 LYS 25 HE2 LYS 25 44.919 1.633 7.325
158 HE3 LYS 25 HE1 LYS 25 45.127 2.815 6.035
159 HZ1 LYS 25 HZ1 LYS 25 47.581 1.765 6.203
160 HZ2 LYS 25 HZ2 LYS 25 46.384 1.223 5.126
161 HZ3 LYS 25 HZ3 LYS 25 46.635 0.413 6.598
162 H SER 26 HN SER 26 48.094 1.208 10.363
163 HA SER 26 HA SER 26 50.129 0.428 11.085
164 HB2 SER 26 HB2 SER 26 50.343 3.179 12.327
165 HB3 SER 26 HB1 SER 26 51.678 2.078 11.999
166 HG SER 26 HG SER 26 50.165 3.649 10.275
167 H SER 27 HN SER 27 48.095 -0.494 12.590
168 HA SER 27 HA SER 27 47.869 -1.690 14.560
169 HB2 SER 27 HB2 SER 27 50.043 -0.208 15.949
170 HB3 SER 27 HB1 SER 27 49.640 -1.922 15.997
171 HG SER 27 HG SER 27 50.658 -2.217 14.083
172 H GLY 28 HN GLY 28 48.184 1.735 14.363
173 HA2 GLY 28 HA2 GLY 28 47.353 2.631 16.847
174 HA3 GLY 28 HA1 GLY 28 46.946 3.427 15.328
175 H ALA 29 HN ALA 29 45.697 0.569 14.754
176 HA ALA 29 HA ALA 29 43.007 1.374 15.355
177 HB1 ALA 29 HB1 ALA 29 43.925 -0.072 13.374
178 HB2 ALA 29 HB2 ALA 29 42.341 -0.438 14.057
179 HB3 ALA 29 HB3 ALA 29 43.742 -1.408 14.510
180 H LEU 30 HN LEU 30 44.902 0.863 17.625
181 HA LEU 30 HA LEU 30 43.427 -1.302 18.993
182 HB2 LEU 30 HB2 LEU 30 46.194 -0.174 19.388
183 HB3 LEU 30 HB1 LEU 30 45.396 -1.130 20.638
184 HG LEU 30 HG LEU 30 45.467 -2.205 17.840
185 HD11 LEU 30 HD11 LEU 30 47.802 -1.852 19.674
186 HD12 LEU 30 HD12 LEU 30 47.752 -1.857 17.911
187 HD13 LEU 30 HD13 LEU 30 47.667 -3.377 18.799
188 HD21 LEU 30 HD21 LEU 30 45.600 -4.346 19.089
189 HD22 LEU 30 HD22 LEU 30 44.212 -3.393 19.606
190 HD23 LEU 30 HD23 LEU 30 45.663 -3.451 20.606
191 H ILE 31 HN ILE 31 44.436 2.060 19.169
192 HA ILE 31 HA ILE 31 43.555 2.535 21.821
193 HB ILE 31 HB ILE 31 44.617 4.090 19.605
194 HG12 ILE 31 HG12 ILE 31 45.675 3.538 21.835
195 HG13 ILE 31 HG11 ILE 31 45.752 5.236 21.374
196 HG21 ILE 31 HG21 ILE 31 42.468 5.387 21.319
197 HG22 ILE 31 HG22 ILE 31 42.483 5.245 19.560
198 HG23 ILE 31 HG23 ILE 31 43.658 6.274 20.371
199 HD11 ILE 31 HD11 ILE 31 44.813 4.285 23.793
200 HD12 ILE 31 HD12 ILE 31 43.323 4.569 22.894
201 HD13 ILE 31 HD13 ILE 31 44.475 5.882 23.130
202 HA PRO 32 HA PRO 32 39.519 4.100 19.506
203 HB2 PRO 32 HB2 PRO 32 39.374 1.959 17.451
204 HB3 PRO 32 HB1 PRO 32 39.000 3.687 17.309
205 HG2 PRO 32 HG2 PRO 32 41.198 2.636 16.228
206 HG3 PRO 32 HG1 PRO 32 41.183 4.267 16.923
207 HD2 PRO 32 HD2 PRO 32 42.321 1.743 18.063
208 HD3 PRO 32 HD1 PRO 32 42.928 3.408 18.182
209 H ALA 33 HN ALA 33 40.662 0.892 20.115
210 HA ALA 33 HA ALA 33 38.024 -0.199 20.679
211 HB1 ALA 33 HB1 ALA 33 39.273 -2.239 21.300
212 HB2 ALA 33 HB2 ALA 33 40.790 -1.364 21.093
213 HB3 ALA 33 HB3 ALA 33 39.744 -1.656 19.704
214 H ILE 34 HN ILE 34 40.045 1.851 22.246
215 HA ILE 34 HA ILE 34 39.337 0.836 24.931
216 HB ILE 34 HB ILE 34 41.336 3.016 24.356
217 HG12 ILE 34 HG12 ILE 34 41.809 0.019 24.422
218 HG13 ILE 34 HG11 ILE 34 42.024 1.076 23.026
219 HG21 ILE 34 HG21 ILE 34 42.186 2.428 26.529
220 HG22 ILE 34 HG22 ILE 34 41.193 0.973 26.587
221 HG23 ILE 34 HG23 ILE 34 40.435 2.560 26.687
222 HD11 ILE 34 HD11 ILE 34 43.732 0.761 25.445
223 HD12 ILE 34 HD12 ILE 34 43.583 2.387 24.780
224 HD13 ILE 34 HD13 ILE 34 44.197 1.077 23.773
225 H TYR 35 HN TYR 35 38.684 3.184 22.573
226 HA TYR 35 HA TYR 35 37.905 5.361 24.222
227 HB2 TYR 35 HB2 TYR 35 38.110 4.860 21.470
228 HB3 TYR 35 HB1 TYR 35 36.406 5.214 21.753
229 HD1 TYR 35 HD1 TYR 35 35.865 7.288 23.230
230 HD2 TYR 35 HD2 TYR 35 39.665 6.614 21.346
231 HE1 TYR 35 HE1 TYR 35 36.397 9.701 23.442
232 HE2 TYR 35 HE2 TYR 35 40.198 9.026 21.557
233 HH TYR 35 HH TYR 35 37.882 11.295 23.052
234 H MET 36 HN MET 36 36.056 2.734 22.676
235 HA MET 36 HA MET 36 33.492 3.404 23.324
236 HB2 MET 36 HB2 MET 36 32.931 1.146 23.124
237 HB3 MET 36 HB1 MET 36 34.452 1.235 22.234
238 HG2 MET 36 HG2 MET 36 35.599 0.617 24.450
239 HG3 MET 36 HG1 MET 36 33.990 0.200 25.040
240 HE1 MET 36 HE1 MET 36 36.691 -1.672 22.035
241 HE2 MET 36 HE2 MET 36 36.430 0.038 22.363
242 HE3 MET 36 HE3 MET 36 35.469 -0.770 21.128
243 H LEU 37 HN LEU 37 36.022 2.320 25.486
244 HA LEU 37 HA LEU 37 34.298 1.955 27.761
245 HB2 LEU 37 HB2 LEU 37 37.037 1.445 27.100
246 HB3 LEU 37 HB1 LEU 37 36.997 2.423 28.565
247 HG LEU 37 HG LEU 37 36.932 0.024 29.111
248 HD11 LEU 37 HD11 LEU 37 34.145 0.722 29.753
249 HD12 LEU 37 HD12 LEU 37 35.311 1.987 30.139
250 HD13 LEU 37 HD13 LEU 37 35.496 0.375 30.831
251 HD21 LEU 37 HD21 LEU 37 35.422 -0.230 26.837
252 HD22 LEU 37 HD22 LEU 37 34.188 -0.361 28.092
253 HD23 LEU 37 HD23 LEU 37 35.558 -1.470 28.083
254 H VAL 38 HN VAL 38 36.977 4.250 27.220
255 HA VAL 38 HA VAL 38 36.338 6.008 29.284
256 HB VAL 38 HB VAL 38 37.507 6.960 26.679
257 HG11 VAL 38 HG11 VAL 38 38.385 8.641 27.946
258 HG12 VAL 38 HG12 VAL 38 38.716 7.572 29.309
259 HG13 VAL 38 HG13 VAL 38 37.092 8.215 29.068
260 HG21 VAL 38 HG21 VAL 38 39.673 6.111 28.111
261 HG22 VAL 38 HG22 VAL 38 38.924 5.175 26.818
262 HG23 VAL 38 HG23 VAL 38 38.505 4.848 28.499
263 H PHE 39 HN PHE 39 34.560 5.342 26.515
264 HA PHE 39 HA PHE 39 33.505 7.871 25.837
265 HB2 PHE 39 HB2 PHE 39 33.213 5.327 24.867
266 HB3 PHE 39 HB1 PHE 39 31.642 5.605 25.618
267 HD1 PHE 39 HD1 PHE 39 31.196 8.458 25.283
268 HD2 PHE 39 HD2 PHE 39 32.949 5.639 22.556
269 HE1 PHE 39 HE1 PHE 39 30.535 9.894 23.373
270 HE2 PHE 39 HE2 PHE 39 32.286 7.075 20.646
271 HZ PHE 39 HZ PHE 39 31.080 9.203 21.055
272 H LEU 40 HN LEU 40 31.834 5.287 27.653
273 HA LEU 40 HA LEU 40 29.871 7.058 28.711
274 HB2 LEU 40 HB2 LEU 40 29.444 5.073 30.284
275 HB3 LEU 40 HB1 LEU 40 29.232 4.789 28.556
276 HG LEU 40 HG LEU 40 31.987 4.353 29.478
277 HD11 LEU 40 HD11 LEU 40 29.749 2.570 30.491
278 HD12 LEU 40 HD12 LEU 40 30.801 3.573 31.490
279 HD13 LEU 40 HD13 LEU 40 31.472 2.206 30.601
280 HD21 LEU 40 HD21 LEU 40 31.825 2.468 28.015
281 HD22 LEU 40 HD22 LEU 40 30.896 3.752 27.241
282 HD23 LEU 40 HD23 LEU 40 30.064 2.460 28.107
283 H LEU 41 HN LEU 41 33.018 5.996 29.791
284 HA LEU 41 HA LEU 41 32.627 7.147 32.452
285 HB2 LEU 41 HB2 LEU 41 34.778 5.505 31.149
286 HB3 LEU 41 HB1 LEU 41 35.117 6.396 32.633
287 HG LEU 41 HG LEU 41 32.605 4.803 32.588
288 HD11 LEU 41 HD11 LEU 41 34.124 2.818 33.378
289 HD12 LEU 41 HD12 LEU 41 35.371 3.631 32.432
290 HD13 LEU 41 HD13 LEU 41 33.888 3.083 31.650
291 HD21 LEU 41 HD21 LEU 41 33.260 4.417 34.921
292 HD22 LEU 41 HD22 LEU 41 33.374 6.137 34.547
293 HD23 LEU 41 HD23 LEU 41 34.835 5.151 34.620
294 H GLY 42 HN GLY 42 32.833 8.653 29.773
295 HA2 GLY 42 HA2 GLY 42 34.845 10.612 30.706
296 HA3 GLY 42 HA1 GLY 42 34.743 10.154 29.008
297 H THR 43 HN THR 43 31.659 9.993 29.972
298 HA THR 43 HA THR 43 31.103 12.745 29.081
299 HB THR 43 HB THR 43 30.108 10.841 27.800
300 HG1 THR 43 HG1 THR 43 28.877 12.547 27.535
301 HG21 THR 43 HG21 THR 43 28.915 9.200 28.805
302 HG22 THR 43 HG22 THR 43 28.051 10.342 29.834
303 HG23 THR 43 HG23 THR 43 29.652 9.771 30.303
304 H THR 44 HN THR 44 28.289 12.145 30.166
305 HA THR 44 HA THR 44 27.064 12.863 31.970
306 HB THR 44 HB THR 44 28.134 12.025 34.228
307 HG1 THR 44 HG1 THR 44 30.086 11.356 33.792
308 HG21 THR 44 HG21 THR 44 27.054 10.354 31.961
309 HG22 THR 44 HG22 THR 44 26.199 10.952 33.383
310 HG23 THR 44 HG23 THR 44 27.388 9.660 33.547
311 H GLY 45 HN GLY 45 30.153 13.019 33.661
312 HA2 GLY 45 HA2 GLY 45 30.415 15.878 33.380
313 HA3 GLY 45 HA1 GLY 45 29.827 15.389 34.967
314 H ASN 46 HN ASN 46 32.257 14.042 32.726
315 HA ASN 46 HA ASN 46 34.309 14.411 34.804
316 HB2 ASN 46 HB2 ASN 46 33.727 11.823 33.347
317 HB3 ASN 46 HB1 ASN 46 35.154 12.115 34.340
318 HD21 ASN 46 HD21 ASN 46 31.571 12.004 34.510
319 HD22 ASN 46 HD22 ASN 46 31.511 11.633 36.164
320 H GLY 47 HN GLY 47 35.453 15.936 33.701
321 HA2 GLY 47 HA2 GLY 47 37.480 15.553 32.074
322 HA3 GLY 47 HA1 GLY 47 36.172 15.449 30.898
323 H LEU 48 HN LEU 48 34.646 17.325 30.852
324 HA LEU 48 HA LEU 48 36.137 19.769 30.655
325 HB2 LEU 48 HB2 LEU 48 33.787 18.755 29.532
326 HB3 LEU 48 HB1 LEU 48 33.245 20.088 30.548
327 HG LEU 48 HG LEU 48 33.747 20.942 28.327
328 HD11 LEU 48 HD11 LEU 48 34.730 21.979 30.665
329 HD12 LEU 48 HD12 LEU 48 34.786 22.804 29.108
330 HD13 LEU 48 HD13 LEU 48 36.189 21.899 29.676
331 HD21 LEU 48 HD21 LEU 48 35.851 19.023 28.449
332 HD22 LEU 48 HD22 LEU 48 36.595 20.608 28.240
333 HD23 LEU 48 HD23 LEU 48 35.391 20.039 27.084
334 H VAL 49 HN VAL 49 33.593 18.536 32.794
335 HA VAL 49 HA VAL 49 33.142 20.852 34.298
336 HB VAL 49 HB VAL 49 33.127 18.091 35.502
337 HG11 VAL 49 HG11 VAL 49 30.950 20.108 35.802
338 HG12 VAL 49 HG12 VAL 49 32.485 20.460 36.593
339 HG13 VAL 49 HG13 VAL 49 31.610 18.982 36.988
340 HG21 VAL 49 HG21 VAL 49 31.310 19.280 33.404
341 HG22 VAL 49 HG22 VAL 49 30.722 18.059 34.532
342 HG23 VAL 49 HG23 VAL 49 32.049 17.679 33.436
343 H LEU 50 HN LEU 50 35.777 18.584 34.332
344 HA LEU 50 HA LEU 50 36.806 19.468 36.892
345 HB2 LEU 50 HB2 LEU 50 37.778 17.584 34.755
346 HB3 LEU 50 HB1 LEU 50 38.830 18.067 36.082
347 HG LEU 50 HG LEU 50 37.553 15.928 36.498
348 HD11 LEU 50 HD11 LEU 50 38.072 18.043 38.250
349 HD12 LEU 50 HD12 LEU 50 37.656 16.393 38.706
350 HD13 LEU 50 HD13 LEU 50 36.393 17.615 38.576
351 HD21 LEU 50 HD21 LEU 50 35.476 16.861 35.308
352 HD22 LEU 50 HD22 LEU 50 35.144 17.723 36.812
353 HD23 LEU 50 HD23 LEU 50 35.198 15.960 36.799
354 H TRP 51 HN TRP 51 37.476 20.013 33.470
355 HA TRP 51 HA TRP 51 39.883 21.307 33.497
356 HB2 TRP 51 HB2 TRP 51 39.265 21.586 31.363
357 HB3 TRP 51 HB1 TRP 51 37.582 21.261 31.777
358 HD1 TRP 51 HD1 TRP 51 36.143 23.416 32.694
359 HE1 TRP 51 HE1 TRP 51 36.307 25.896 32.009
360 HE3 TRP 51 HE3 TRP 51 40.780 23.435 30.554
361 HZ2 TRP 51 HZ2 TRP 51 38.161 27.655 30.724
362 HZ3 TRP 51 HZ3 TRP 51 41.719 25.524 29.608
363 HH2 TRP 51 HH2 TRP 51 40.417 27.631 29.690
364 H THR 52 HN THR 52 36.764 22.579 34.547
365 HA THR 52 HA THR 52 37.686 25.252 34.981
366 HB THR 52 HB THR 52 35.247 23.691 35.775
367 HG1 THR 52 HG1 THR 52 35.996 25.665 34.000
368 HG21 THR 52 HG21 THR 52 36.217 26.314 36.887
369 HG22 THR 52 HG22 THR 52 35.502 24.947 37.743
370 HG23 THR 52 HG23 THR 52 34.490 25.984 36.738
371 H VAL 53 HN VAL 53 37.669 22.307 36.851
372 HA VAL 53 HA VAL 53 38.518 23.746 39.271
373 HB VAL 53 HB VAL 53 38.148 20.774 39.117
374 HG11 VAL 53 HG11 VAL 53 39.018 21.830 41.178
375 HG12 VAL 53 HG12 VAL 53 37.424 21.123 41.447
376 HG13 VAL 53 HG13 VAL 53 37.594 22.867 41.243
377 HG21 VAL 53 HG21 VAL 53 35.704 21.508 39.903
378 HG22 VAL 53 HG22 VAL 53 36.085 21.281 38.196
379 HG23 VAL 53 HG23 VAL 53 36.059 22.905 38.886
380 H PHE 54 HN PHE 54 39.841 22.224 36.587
381 HA PHE 54 HA PHE 54 42.258 21.363 38.029
382 HB2 PHE 54 HB2 PHE 54 41.181 19.797 36.405
383 HB3 PHE 54 HB1 PHE 54 41.539 20.952 35.120
384 HD1 PHE 54 HD1 PHE 54 43.018 18.663 37.625
385 HD2 PHE 54 HD2 PHE 54 43.787 21.270 34.299
386 HE1 PHE 54 HE1 PHE 54 45.318 17.753 37.443
387 HE2 PHE 54 HE2 PHE 54 46.087 20.360 34.117
388 HZ PHE 54 HZ PHE 54 46.853 18.602 35.690
389 H ARG 55 HN ARG 55 41.039 23.817 35.914
390 HA ARG 55 HA ARG 55 43.723 24.744 35.204
391 HB2 ARG 55 HB2 ARG 55 41.627 24.705 33.646
392 HB3 ARG 55 HB1 ARG 55 41.195 26.192 34.491
393 HG2 ARG 55 HG2 ARG 55 43.783 26.733 33.975
394 HG3 ARG 55 HG1 ARG 55 43.442 25.664 32.614
395 HD2 ARG 55 HD2 ARG 55 42.831 27.744 31.751
396 HD3 ARG 55 HD1 ARG 55 41.291 27.127 32.342
397 HE ARG 55 HE ARG 55 42.696 28.657 34.331
398 HH11 ARG 55 HH21 ARG 55 40.670 28.790 31.529
399 HH12 ARG 55 HH22 ARG 55 39.975 30.325 31.934
400 HH21 ARG 55 HH11 ARG 55 41.788 30.668 34.870
401 HH22 ARG 55 HH12 ARG 55 40.608 31.387 33.825
402 H LYS 56 HN LYS 56 40.844 25.871 36.959
403 HA LYS 56 HA LYS 56 41.511 28.398 37.696
404 HB2 LYS 56 HB2 LYS 56 40.192 26.177 39.223
405 HB3 LYS 56 HB1 LYS 56 40.489 27.728 40.007
406 HG2 LYS 56 HG2 LYS 56 39.213 27.685 37.291
407 HG3 LYS 56 HG1 LYS 56 38.228 27.319 38.707
408 HD2 LYS 56 HD2 LYS 56 39.989 29.714 38.890
409 HD3 LYS 56 HD1 LYS 56 38.593 29.834 37.819
410 HE2 LYS 56 HE2 LYS 56 38.268 30.500 40.303
411 HE3 LYS 56 HE1 LYS 56 37.061 29.444 39.568
412 HZ1 LYS 56 HZ1 LYS 56 39.378 28.538 41.190
413 HZ2 LYS 56 HZ2 LYS 56 38.188 27.537 40.505
414 HZ3 LYS 56 HZ3 LYS 56 37.776 28.633 41.737
415 H LYS 57 HN LYS 57 42.424 25.546 39.648
416 HA LYS 57 HA LYS 57 44.308 27.034 41.212
417 HB2 LYS 57 HB2 LYS 57 43.922 24.047 40.901
418 HB3 LYS 57 HB1 LYS 57 44.927 24.821 42.127
419 HG2 LYS 57 HG2 LYS 57 43.138 25.418 43.388
420 HG3 LYS 57 HG1 LYS 57 42.190 25.894 41.978
421 HD2 LYS 57 HD2 LYS 57 41.497 23.661 41.553
422 HD3 LYS 57 HD1 LYS 57 42.722 22.994 42.634
423 HE2 LYS 57 HE2 LYS 57 41.590 24.029 44.565
424 HE3 LYS 57 HE1 LYS 57 40.365 24.701 43.488
425 HZ1 LYS 57 HZ1 LYS 57 39.542 22.600 42.989
426 HZ2 LYS 57 HZ2 LYS 57 39.848 22.515 44.659
427 HZ3 LYS 57 HZ3 LYS 57 40.927 21.803 43.556
428 H GLY 58 HN GLY 58 45.004 27.597 38.666
429 HA2 GLY 58 HA2 GLY 58 46.921 25.865 37.494
430 HA3 GLY 58 HA1 GLY 58 46.750 27.588 37.164
431 H HIS 59 HN HIS 59 48.690 28.506 37.406
432 HA HIS 59 HA HIS 59 50.136 28.058 39.935
433 HB2 HIS 59 HB2 HIS 59 51.379 28.070 37.176
434 HB3 HIS 59 HB1 HIS 59 52.274 28.046 38.695
435 HD2 HIS 59 HD2 HIS 59 50.406 25.576 36.360
436 HE1 HIS 59 HE1 HIS 59 51.487 23.423 39.827
437 HE2 HIS 59 HE2 HIS 59 50.563 23.218 37.470
438 H HIS 60 HN HIS 60 51.152 29.844 37.077
439 HA HIS 60 HA HIS 60 50.283 32.385 38.065
440 HB2 HIS 60 HB2 HIS 60 52.055 32.465 39.544
441 HB3 HIS 60 HB1 HIS 60 53.086 31.464 38.522
442 HD2 HIS 60 HD2 HIS 60 54.804 32.916 36.891
443 HE1 HIS 60 HE1 HIS 60 53.014 36.704 37.407
444 HE2 HIS 60 HE2 HIS 60 54.976 35.468 36.372
445 H HIS 61 HN HIS 61 50.436 33.995 36.516
446 HA HIS 61 HA HIS 61 50.712 33.141 33.812
447 HB2 HIS 61 HB2 HIS 61 50.411 35.866 35.082
448 HB3 HIS 61 HB1 HIS 61 50.496 35.627 33.337
449 HD2 HIS 61 HD2 HIS 61 47.762 35.947 35.824
450 HE1 HIS 61 HE1 HIS 61 46.249 33.161 33.036
451 HE2 HIS 61 HE2 HIS 61 45.637 34.700 34.961
452 H HIS 62 HN HIS 62 52.809 32.334 33.544
453 HA HIS 62 HA HIS 62 55.203 33.526 34.287
454 HB2 HIS 62 HB2 HIS 62 55.177 31.288 33.383
455 HB3 HIS 62 HB1 HIS 62 54.554 31.871 31.839
456 HD2 HIS 62 HD2 HIS 62 57.509 33.816 33.543
457 HE1 HIS 62 HE1 HIS 62 59.040 31.817 30.153
458 HE2 HIS 62 HE2 HIS 62 59.577 33.497 31.980
459 H HIS 63 HN HIS 63 56.143 35.385 33.758
460 HA HIS 63 HA HIS 63 55.111 37.358 32.158
461 HB2 HIS 63 HB2 HIS 63 57.156 37.394 33.756
462 HB3 HIS 63 HB1 HIS 63 58.088 36.966 32.321
463 HD2 HIS 63 HD2 HIS 63 55.186 39.687 32.688
464 HE1 HIS 63 HE1 HIS 63 58.566 41.472 30.897
465 HE2 HIS 63 HE2 HIS 63 56.169 41.867 31.640
466 H HIS 64 HN HIS 64 54.864 37.668 30.038
467 HA HIS 64 HA HIS 64 55.240 35.771 28.088
468 HB2 HIS 64 HB2 HIS 64 54.373 37.339 26.723
469 HB3 HIS 64 HB1 HIS 64 54.299 38.372 28.151
470 HD2 HIS 64 HD2 HIS 64 55.988 38.376 24.735
471 HE1 HIS 64 HE1 HIS 64 58.214 41.063 27.113
472 HE2 HIS 64 HE2 HIS 64 57.816 40.241 24.743
Start of MODEL 40
1 H1 MET 1 HT1 MET 1 21.276 8.384 61.804
2 H2 MET 1 HT2 MET 1 22.772 7.962 61.117
3 H3 MET 1 HT3 MET 1 21.870 9.249 60.473
4 HA MET 1 HA MET 1 22.094 10.191 62.889
5 HB2 MET 1 HB2 MET 1 24.490 8.366 62.532
6 HB3 MET 1 HB1 MET 1 24.350 9.607 63.777
7 HG2 MET 1 HG2 MET 1 22.247 7.468 63.457
8 HG3 MET 1 HG1 MET 1 23.693 7.195 64.430
9 HE1 MET 1 HE1 MET 1 21.257 6.718 65.826
10 HE2 MET 1 HE2 MET 1 21.242 7.731 67.268
11 HE3 MET 1 HE3 MET 1 22.734 6.935 66.774
12 H GLU 2 HN GLU 2 22.274 10.561 59.950
13 HA GLU 2 HA GLU 2 23.076 12.168 58.523
14 HB2 GLU 2 HB2 GLU 2 24.835 13.273 60.692
15 HB3 GLU 2 HB1 GLU 2 23.990 14.125 59.400
16 HG2 GLU 2 HG2 GLU 2 21.867 13.061 60.676
17 HG3 GLU 2 HG1 GLU 2 22.975 13.204 62.039
18 H GLU 3 HN GLU 3 24.567 11.870 56.990
19 HA GLU 3 HA GLU 3 26.612 11.434 55.999
20 HB2 GLU 3 HB2 GLU 3 27.422 12.416 58.358
21 HB3 GLU 3 HB1 GLU 3 27.941 10.743 58.568
22 HG2 GLU 3 HG2 GLU 3 28.656 12.543 56.233
23 HG3 GLU 3 HG1 GLU 3 29.737 12.077 57.546
24 H GLY 4 HN GLY 4 26.198 9.575 54.942
25 HA2 GLY 4 HA2 GLY 4 26.906 7.294 54.642
26 HA3 GLY 4 HA1 GLY 4 26.735 7.053 56.378
27 H GLY 5 HN GLY 5 24.359 8.772 54.466
28 HA2 GLY 5 HA2 GLY 5 22.260 7.011 55.350
29 HA3 GLY 5 HA1 GLY 5 22.079 8.403 54.287
30 H ASP 6 HN ASP 6 21.034 7.661 52.533
31 HA ASP 6 HA ASP 6 22.318 5.516 50.990
32 HB2 ASP 6 HB2 ASP 6 20.073 4.990 52.482
33 HB3 ASP 6 HB1 ASP 6 19.387 5.408 50.913
34 H PHE 7 HN PHE 7 21.838 5.572 48.741
35 HA PHE 7 HA PHE 7 21.222 8.258 47.789
36 HB2 PHE 7 HB2 PHE 7 21.778 6.069 45.865
37 HB3 PHE 7 HB1 PHE 7 22.411 7.714 45.919
38 HD1 PHE 7 HD1 PHE 7 22.681 4.337 47.448
39 HD2 PHE 7 HD2 PHE 7 24.459 8.226 47.040
40 HE1 PHE 7 HE1 PHE 7 24.747 3.507 48.542
41 HE2 PHE 7 HE2 PHE 7 26.525 7.398 48.135
42 HZ PHE 7 HZ PHE 7 26.669 5.038 48.886
43 H ASP 8 HN ASP 8 20.202 7.691 45.272
44 HA ASP 8 HA ASP 8 17.731 6.175 45.672
45 HB2 ASP 8 HB2 ASP 8 17.182 8.445 46.438
46 HB3 ASP 8 HB1 ASP 8 17.753 9.103 44.907
47 H ASN 9 HN ASN 9 19.798 5.407 44.075
48 HA ASN 9 HA ASN 9 18.556 5.466 41.453
49 HB2 ASN 9 HB2 ASN 9 20.003 7.475 41.419
50 HB3 ASN 9 HB1 ASN 9 21.392 6.463 41.811
51 HD21 ASN 9 HD21 ASN 9 22.547 5.767 40.013
52 HD22 ASN 9 HD22 ASN 9 21.907 5.597 38.450
53 H TYR 10 HN TYR 10 18.892 3.397 43.313
54 HA TYR 10 HA TYR 10 21.155 1.800 43.041
55 HB2 TYR 10 HB2 TYR 10 19.009 1.509 44.511
56 HB3 TYR 10 HB1 TYR 10 18.424 0.564 43.141
57 HD1 TYR 10 HD2 TYR 10 19.581 -1.496 42.436
58 HD2 TYR 10 HD1 TYR 10 20.860 0.734 45.877
59 HE1 TYR 10 HE2 TYR 10 20.941 -3.430 43.183
60 HE2 TYR 10 HE1 TYR 10 22.219 -1.200 46.626
61 HH TYR 10 HH TYR 10 22.634 -4.048 44.597
62 H TYR 11 HN TYR 11 22.013 1.627 41.010
63 HA TYR 11 HA TYR 11 20.774 1.370 38.578
64 HB2 TYR 11 HB2 TYR 11 22.792 0.218 37.795
65 HB3 TYR 11 HB1 TYR 11 23.218 1.552 38.866
66 HD1 TYR 11 HD2 TYR 11 22.743 -2.137 38.715
67 HD2 TYR 11 HD1 TYR 11 24.356 1.176 40.923
68 HE1 TYR 11 HE2 TYR 11 23.934 -3.715 40.213
69 HE2 TYR 11 HE1 TYR 11 25.547 -0.402 42.421
70 HH TYR 11 HH TYR 11 25.966 -3.659 41.698
71 H GLY 12 HN GLY 12 20.300 -0.454 37.216
72 HA2 GLY 12 HA2 GLY 12 20.241 -3.132 37.996
73 HA3 GLY 12 HA1 GLY 12 18.702 -2.426 38.479
74 H ALA 13 HN ALA 13 20.879 -2.406 35.645
75 HA ALA 13 HA ALA 13 18.608 -3.136 33.941
76 HB1 ALA 13 HB1 ALA 13 18.486 -0.790 33.693
77 HB2 ALA 13 HB2 ALA 13 19.410 -1.336 32.293
78 HB3 ALA 13 HB3 ALA 13 20.241 -0.617 33.673
79 H ASP 14 HN ASP 14 20.422 -4.950 34.530
80 HA ASP 14 HA ASP 14 22.649 -4.881 32.659
81 HB2 ASP 14 HB2 ASP 14 23.026 -7.227 33.600
82 HB3 ASP 14 HB1 ASP 14 23.177 -5.889 34.737
83 H ASN 15 HN ASN 15 20.607 -4.637 31.056
84 HA ASN 15 HA ASN 15 20.485 -7.203 29.677
85 HB2 ASN 15 HB2 ASN 15 18.449 -6.820 31.317
86 HB3 ASN 15 HB1 ASN 15 17.878 -5.780 30.014
87 HD21 ASN 15 HD21 ASN 15 18.574 -7.107 27.714
88 HD22 ASN 15 HD22 ASN 15 17.883 -8.657 27.676
89 H GLN 16 HN GLN 16 21.903 -4.941 28.969
90 HA GLN 16 HA GLN 16 20.338 -3.416 27.046
91 HB2 GLN 16 HB2 GLN 16 22.550 -2.326 26.569
92 HB3 GLN 16 HB1 GLN 16 22.040 -2.208 28.254
93 HG2 GLN 16 HG2 GLN 16 23.500 -4.655 27.889
94 HG3 GLN 16 HG1 GLN 16 24.452 -3.318 27.247
95 HE21 GLN 16 HE21 GLN 16 22.157 -3.331 30.020
96 HE22 GLN 16 HE22 GLN 16 23.309 -2.832 31.163
97 H SER 17 HN SER 17 19.877 -5.702 26.064
98 HA SER 17 HA SER 17 21.709 -7.177 24.624
99 HB2 SER 17 HB2 SER 17 19.890 -8.200 23.742
100 HB3 SER 17 HB1 SER 17 18.987 -7.188 24.866
101 HG SER 17 HG SER 17 18.704 -7.199 22.323
102 H GLU 18 HN GLU 18 22.953 -6.834 22.892
103 HA GLU 18 HA GLU 18 22.226 -4.958 20.821
104 HB2 GLU 18 HB2 GLU 18 23.896 -4.089 23.006
105 HB3 GLU 18 HB1 GLU 18 24.810 -4.072 21.498
106 HG2 GLU 18 HG2 GLU 18 23.088 -2.727 20.418
107 HG3 GLU 18 HG1 GLU 18 22.072 -2.823 21.856
108 H CYS 19 HN CYS 19 22.675 -6.153 19.087
109 HA CYS 19 HA CYS 19 25.374 -7.242 18.778
110 HB2 CYS 19 HB2 CYS 19 24.197 -9.374 17.823
111 HB3 CYS 19 HB1 CYS 19 24.439 -9.223 19.563
112 HG CYS 19 HG CYS 19 21.820 -8.041 19.196
113 H GLU 20 HN GLU 20 25.963 -7.612 16.597
114 HA GLU 20 HA GLU 20 25.921 -7.291 14.318
115 HB2 GLU 20 HB2 GLU 20 23.460 -8.257 14.792
116 HB3 GLU 20 HB1 GLU 20 23.024 -6.636 14.249
117 HG2 GLU 20 HG2 GLU 20 24.764 -8.614 12.749
118 HG3 GLU 20 HG1 GLU 20 23.115 -8.153 12.330
119 H TYR 21 HN TYR 21 23.394 -5.126 15.622
120 HA TYR 21 HA TYR 21 24.210 -2.919 14.011
121 HB2 TYR 21 HB2 TYR 21 21.922 -3.433 15.218
122 HB3 TYR 21 HB1 TYR 21 22.664 -2.538 16.544
123 HD1 TYR 21 HD2 TYR 21 22.007 -2.328 12.863
124 HD2 TYR 21 HD1 TYR 21 22.644 -0.191 16.535
125 HE1 TYR 21 HE2 TYR 21 21.497 -0.193 11.709
126 HE2 TYR 21 HE1 TYR 21 22.135 1.944 15.380
127 HH TYR 21 HH TYR 21 21.016 1.996 12.024
128 H THR 22 HN THR 22 25.761 -4.335 16.527
129 HA THR 22 HA THR 22 27.261 -1.881 17.105
130 HB THR 22 HB THR 22 26.780 -3.597 19.463
131 HG1 THR 22 HG1 THR 22 24.706 -3.482 19.282
132 HG21 THR 22 HG21 THR 22 28.085 -1.397 19.309
133 HG22 THR 22 HG22 THR 22 26.891 -1.511 20.603
134 HG23 THR 22 HG23 THR 22 26.519 -0.606 19.135
135 H ASP 23 HN ASP 23 27.506 -4.644 15.737
136 HA ASP 23 HA ASP 23 30.166 -5.231 16.851
137 HB2 ASP 23 HB2 ASP 23 28.467 -6.871 17.731
138 HB3 ASP 23 HB1 ASP 23 28.198 -7.388 16.068
139 H TRP 24 HN TRP 24 28.488 -4.223 14.288
140 HA TRP 24 HA TRP 24 29.329 -5.823 12.132
141 HB2 TRP 24 HB2 TRP 24 29.073 -3.545 10.865
142 HB3 TRP 24 HB1 TRP 24 27.657 -4.308 11.576
143 HD1 TRP 24 HD1 TRP 24 30.119 -2.633 13.919
144 HE1 TRP 24 HE1 TRP 24 29.045 -0.505 14.890
145 HE3 TRP 24 HE3 TRP 24 25.919 -2.368 11.025
146 HZ2 TRP 24 HZ2 TRP 24 26.712 1.102 14.493
147 HZ3 TRP 24 HZ3 TRP 24 24.289 -0.528 11.344
148 HH2 TRP 24 HH2 TRP 24 24.679 1.205 13.073
149 H LYS 25 HN LYS 25 30.676 -4.193 10.377
150 HA LYS 25 HA LYS 25 33.263 -4.717 10.479
151 HB2 LYS 25 HB2 LYS 25 33.721 -2.504 9.363
152 HB3 LYS 25 HB1 LYS 25 32.403 -3.434 8.649
153 HG2 LYS 25 HG2 LYS 25 31.433 -1.744 10.805
154 HG3 LYS 25 HG1 LYS 25 32.270 -0.789 9.581
155 HD2 LYS 25 HD2 LYS 25 30.850 -1.626 7.834
156 HD3 LYS 25 HD1 LYS 25 30.153 -2.844 8.904
157 HE2 LYS 25 HE2 LYS 25 29.070 -1.146 10.243
158 HE3 LYS 25 HE1 LYS 25 29.910 0.139 9.376
159 HZ1 LYS 25 HZ1 LYS 25 28.762 -1.096 7.346
160 HZ2 LYS 25 HZ2 LYS 25 27.993 0.147 8.212
161 HZ3 LYS 25 HZ3 LYS 25 27.632 -1.478 8.552
162 H SER 26 HN SER 26 33.972 -4.908 12.637
163 HA SER 26 HA SER 26 34.787 -2.339 13.863
164 HB2 SER 26 HB2 SER 26 33.227 -3.094 15.411
165 HB3 SER 26 HB1 SER 26 33.588 -4.790 15.103
166 HG SER 26 HG SER 26 34.707 -4.511 16.890
167 H SER 27 HN SER 27 35.645 -5.512 12.816
168 HA SER 27 HA SER 27 37.664 -6.593 12.654
169 HB2 SER 27 HB2 SER 27 38.982 -3.984 13.384
170 HB3 SER 27 HB1 SER 27 39.611 -5.281 12.373
171 HG SER 27 HG SER 27 38.014 -3.181 11.727
172 H GLY 28 HN GLY 28 36.245 -6.355 15.232
173 HA2 GLY 28 HA2 GLY 28 36.626 -7.301 17.318
174 HA3 GLY 28 HA1 GLY 28 38.335 -7.435 16.910
175 H ALA 29 HN ALA 29 37.453 -4.346 16.194
176 HA ALA 29 HA ALA 29 38.013 -2.324 17.141
177 HB1 ALA 29 HB1 ALA 29 36.500 -3.777 19.281
178 HB2 ALA 29 HB2 ALA 29 36.027 -2.358 18.345
179 HB3 ALA 29 HB3 ALA 29 37.217 -2.207 19.639
180 H LEU 30 HN LEU 30 40.189 -2.112 17.181
181 HA LEU 30 HA LEU 30 41.713 -3.433 19.321
182 HB2 LEU 30 HB2 LEU 30 42.620 -1.952 16.841
183 HB3 LEU 30 HB1 LEU 30 43.697 -2.704 18.018
184 HG LEU 30 HG LEU 30 41.725 -4.635 17.307
185 HD11 LEU 30 HD11 LEU 30 43.055 -3.272 14.945
186 HD12 LEU 30 HD12 LEU 30 41.323 -3.353 15.265
187 HD13 LEU 30 HD13 LEU 30 42.214 -4.821 14.868
188 HD21 LEU 30 HD21 LEU 30 44.064 -5.035 18.060
189 HD22 LEU 30 HD22 LEU 30 44.647 -4.403 16.520
190 HD23 LEU 30 HD23 LEU 30 43.698 -5.889 16.562
191 H ILE 31 HN ILE 31 41.888 -0.246 17.721
192 HA ILE 31 HA ILE 31 42.858 0.954 20.169
193 HB ILE 31 HB ILE 31 42.829 1.619 17.340
194 HG12 ILE 31 HG12 ILE 31 44.797 1.262 18.887
195 HG13 ILE 31 HG11 ILE 31 44.879 2.719 17.904
196 HG21 ILE 31 HG21 ILE 31 42.757 4.100 17.671
197 HG22 ILE 31 HG22 ILE 31 42.122 3.840 19.291
198 HG23 ILE 31 HG23 ILE 31 41.191 3.326 17.882
199 HD11 ILE 31 HD11 ILE 31 44.818 4.076 19.717
200 HD12 ILE 31 HD12 ILE 31 45.211 2.630 20.645
201 HD13 ILE 31 HD13 ILE 31 43.533 3.144 20.485
202 HA PRO 32 HA PRO 32 38.518 3.170 19.584
203 HB2 PRO 32 HB2 PRO 32 36.958 0.818 18.667
204 HB3 PRO 32 HB1 PRO 32 36.871 2.507 18.136
205 HG2 PRO 32 HG2 PRO 32 37.955 0.603 16.609
206 HG3 PRO 32 HG1 PRO 32 38.577 2.263 16.629
207 HD2 PRO 32 HD2 PRO 32 39.713 -0.191 17.915
208 HD3 PRO 32 HD1 PRO 32 40.555 1.185 17.171
209 H ALA 33 HN ALA 33 38.931 -0.224 20.445
210 HA ALA 33 HA ALA 33 36.926 -0.534 22.349
211 HB1 ALA 33 HB1 ALA 33 37.890 -2.550 22.477
212 HB2 ALA 33 HB2 ALA 33 39.284 -1.841 23.291
213 HB3 ALA 33 HB3 ALA 33 39.254 -1.953 21.531
214 H ILE 34 HN ILE 34 40.168 0.858 22.693
215 HA ILE 34 HA ILE 34 39.751 1.403 25.519
216 HB ILE 34 HB ILE 34 42.016 2.090 23.635
217 HG12 ILE 34 HG12 ILE 34 42.225 0.246 25.981
218 HG13 ILE 34 HG11 ILE 34 41.409 -0.351 24.535
219 HG21 ILE 34 HG21 ILE 34 41.551 2.651 26.562
220 HG22 ILE 34 HG22 ILE 34 42.106 3.757 25.306
221 HG23 ILE 34 HG23 ILE 34 43.183 2.499 25.913
222 HD11 ILE 34 HD11 ILE 34 43.903 -0.799 24.602
223 HD12 ILE 34 HD12 ILE 34 44.146 0.944 24.480
224 HD13 ILE 34 HD13 ILE 34 43.347 0.071 23.172
225 H TYR 35 HN TYR 35 39.866 3.169 22.463
226 HA TYR 35 HA TYR 35 39.791 5.786 23.474
227 HB2 TYR 35 HB2 TYR 35 39.764 4.608 20.959
228 HB3 TYR 35 HB1 TYR 35 38.214 5.443 21.050
229 HD1 TYR 35 HD1 TYR 35 41.888 5.888 21.436
230 HD2 TYR 35 HD2 TYR 35 38.080 7.822 20.982
231 HE1 TYR 35 HE1 TYR 35 43.034 8.057 21.072
232 HE2 TYR 35 HE2 TYR 35 39.226 9.991 20.617
233 HH TYR 35 HH TYR 35 42.121 10.408 19.701
234 H MET 36 HN MET 36 37.260 3.403 22.992
235 HA MET 36 HA MET 36 35.110 5.264 23.504
236 HB2 MET 36 HB2 MET 36 35.228 2.255 23.256
237 HB3 MET 36 HB1 MET 36 33.737 3.138 23.588
238 HG2 MET 36 HG2 MET 36 35.206 4.320 21.372
239 HG3 MET 36 HG1 MET 36 34.823 2.626 21.068
240 HE1 MET 36 HE1 MET 36 33.518 6.173 21.873
241 HE2 MET 36 HE2 MET 36 32.194 6.183 20.713
242 HE3 MET 36 HE3 MET 36 33.829 5.820 20.168
243 H LEU 37 HN LEU 37 36.608 2.561 25.277
244 HA LEU 37 HA LEU 37 35.150 2.438 27.554
245 HB2 LEU 37 HB2 LEU 37 37.857 1.831 26.828
246 HB3 LEU 37 HB1 LEU 37 37.837 2.526 28.450
247 HG LEU 37 HG LEU 37 36.035 0.264 27.538
248 HD11 LEU 37 HD11 LEU 37 38.046 -0.853 27.654
249 HD12 LEU 37 HD12 LEU 37 37.632 -0.872 29.369
250 HD13 LEU 37 HD13 LEU 37 38.761 0.332 28.747
251 HD21 LEU 37 HD21 LEU 37 34.950 0.599 29.485
252 HD22 LEU 37 HD22 LEU 37 35.922 2.046 29.746
253 HD23 LEU 37 HD23 LEU 37 36.466 0.492 30.378
254 H VAL 38 HN VAL 38 36.998 5.152 26.477
255 HA VAL 38 HA VAL 38 36.743 6.472 29.098
256 HB VAL 38 HB VAL 38 38.204 7.503 26.663
257 HG11 VAL 38 HG11 VAL 38 39.267 8.979 28.201
258 HG12 VAL 38 HG12 VAL 38 38.693 8.062 29.594
259 HG13 VAL 38 HG13 VAL 38 37.558 9.016 28.638
260 HG21 VAL 38 HG21 VAL 38 39.539 5.677 26.995
261 HG22 VAL 38 HG22 VAL 38 38.913 5.392 28.618
262 HG23 VAL 38 HG23 VAL 38 40.152 6.619 28.354
263 H PHE 39 HN PHE 39 35.650 6.591 25.778
264 HA PHE 39 HA PHE 39 34.371 9.172 26.065
265 HB2 PHE 39 HB2 PHE 39 35.245 7.734 23.909
266 HB3 PHE 39 HB1 PHE 39 33.507 7.438 23.852
267 HD1 PHE 39 HD2 PHE 39 36.145 10.013 23.716
268 HD2 PHE 39 HD1 PHE 39 31.924 9.250 23.482
269 HE1 PHE 39 HE2 PHE 39 35.784 12.288 22.796
270 HE2 PHE 39 HE1 PHE 39 31.563 11.524 22.563
271 HZ PHE 39 HZ PHE 39 33.493 13.043 22.220
272 H LEU 40 HN LEU 40 33.623 7.018 27.940
273 HA LEU 40 HA LEU 40 30.795 7.411 27.874
274 HB2 LEU 40 HB2 LEU 40 30.147 5.032 27.653
275 HB3 LEU 40 HB1 LEU 40 30.882 5.661 26.178
276 HG LEU 40 HG LEU 40 33.073 4.735 27.579
277 HD11 LEU 40 HD11 LEU 40 30.779 2.788 27.968
278 HD12 LEU 40 HD12 LEU 40 31.577 3.690 29.255
279 HD13 LEU 40 HD13 LEU 40 32.473 2.474 28.345
280 HD21 LEU 40 HD21 LEU 40 31.340 3.242 25.585
281 HD22 LEU 40 HD22 LEU 40 33.030 2.882 25.939
282 HD23 LEU 40 HD23 LEU 40 32.594 4.414 25.182
283 H LEU 41 HN LEU 41 33.632 6.797 29.412
284 HA LEU 41 HA LEU 41 32.845 5.164 31.591
285 HB2 LEU 41 HB2 LEU 41 34.921 5.650 32.507
286 HB3 LEU 41 HB1 LEU 41 35.216 5.977 30.807
287 HG LEU 41 HG LEU 41 34.446 8.416 31.397
288 HD11 LEU 41 HD11 LEU 41 35.742 8.254 33.976
289 HD12 LEU 41 HD12 LEU 41 34.303 7.239 33.978
290 HD13 LEU 41 HD13 LEU 41 34.175 8.947 33.571
291 HD21 LEU 41 HD21 LEU 41 37.054 7.035 31.811
292 HD22 LEU 41 HD22 LEU 41 36.927 8.705 32.361
293 HD23 LEU 41 HD23 LEU 41 36.622 8.308 30.670
294 H GLY 42 HN GLY 42 32.371 8.525 30.841
295 HA2 GLY 42 HA2 GLY 42 30.284 9.005 32.553
296 HA3 GLY 42 HA1 GLY 42 31.717 9.363 33.513
297 H THR 43 HN THR 43 31.404 9.850 30.035
298 HA THR 43 HA THR 43 31.687 12.763 30.477
299 HB THR 43 HB THR 43 33.500 12.569 29.167
300 HG1 THR 43 HG1 THR 43 32.372 13.251 27.469
301 HG21 THR 43 HG21 THR 43 34.071 10.425 28.031
302 HG22 THR 43 HG22 THR 43 32.492 9.792 28.492
303 HG23 THR 43 HG23 THR 43 33.674 10.204 29.734
304 H THR 44 HN THR 44 30.417 10.418 28.101
305 HA THR 44 HA THR 44 28.640 12.345 26.927
306 HB THR 44 HB THR 44 28.761 9.332 26.663
307 HG1 THR 44 HG1 THR 44 29.537 11.266 24.773
308 HG21 THR 44 HG21 THR 44 26.877 11.346 25.677
309 HG22 THR 44 HG22 THR 44 26.736 9.588 25.692
310 HG23 THR 44 HG23 THR 44 27.602 10.392 24.383
311 H GLY 45 HN GLY 45 27.139 9.338 27.464
312 HA2 GLY 45 HA2 GLY 45 25.291 10.572 29.423
313 HA3 GLY 45 HA1 GLY 45 24.794 9.426 28.183
314 H ASN 46 HN ASN 46 25.543 7.213 28.357
315 HA ASN 46 HA ASN 46 25.856 5.257 29.516
316 HB2 ASN 46 HB2 ASN 46 27.793 5.153 30.689
317 HB3 ASN 46 HB1 ASN 46 28.010 6.803 30.105
318 HD21 ASN 46 HD21 ASN 46 28.229 8.398 31.691
319 HD22 ASN 46 HD22 ASN 46 27.842 8.186 33.331
320 H GLY 47 HN GLY 47 24.464 4.205 30.779
321 HA2 GLY 47 HA2 GLY 47 23.044 3.724 32.540
322 HA3 GLY 47 HA1 GLY 47 23.686 5.134 33.382
323 H LEU 48 HN LEU 48 23.087 6.947 31.156
324 HA LEU 48 HA LEU 48 20.212 7.269 31.682
325 HB2 LEU 48 HB2 LEU 48 22.411 9.068 31.595
326 HB3 LEU 48 HB1 LEU 48 21.336 9.483 30.259
327 HG LEU 48 HG LEU 48 20.452 9.097 33.135
328 HD11 LEU 48 HD11 LEU 48 20.180 11.528 33.172
329 HD12 LEU 48 HD12 LEU 48 20.751 11.639 31.507
330 HD13 LEU 48 HD13 LEU 48 21.853 11.126 32.784
331 HD21 LEU 48 HD21 LEU 48 19.040 9.148 30.630
332 HD22 LEU 48 HD22 LEU 48 18.615 10.590 31.553
333 HD23 LEU 48 HD23 LEU 48 18.379 8.990 32.257
334 H VAL 49 HN VAL 49 22.566 6.925 29.094
335 HA VAL 49 HA VAL 49 20.847 7.510 26.922
336 HB VAL 49 HB VAL 49 23.399 5.936 27.197
337 HG11 VAL 49 HG11 VAL 49 21.513 6.118 24.864
338 HG12 VAL 49 HG12 VAL 49 22.454 4.738 25.429
339 HG13 VAL 49 HG13 VAL 49 23.251 6.058 24.572
340 HG21 VAL 49 HG21 VAL 49 23.073 8.211 25.324
341 HG22 VAL 49 HG22 VAL 49 24.391 7.852 26.440
342 HG23 VAL 49 HG23 VAL 49 22.915 8.613 27.034
343 H LEU 50 HN LEU 50 21.821 4.401 28.374
344 HA LEU 50 HA LEU 50 20.217 2.763 26.734
345 HB2 LEU 50 HB2 LEU 50 20.896 2.148 29.609
346 HB3 LEU 50 HB1 LEU 50 20.675 1.018 28.273
347 HG LEU 50 HG LEU 50 22.686 2.692 27.352
348 HD11 LEU 50 HD11 LEU 50 22.803 3.620 29.698
349 HD12 LEU 50 HD12 LEU 50 24.307 2.893 29.132
350 HD13 LEU 50 HD13 LEU 50 23.266 2.009 30.247
351 HD21 LEU 50 HD21 LEU 50 22.642 0.278 27.061
352 HD22 LEU 50 HD22 LEU 50 22.832 0.028 28.797
353 HD23 LEU 50 HD23 LEU 50 24.155 0.714 27.854
354 H TRP 51 HN TRP 51 19.575 4.360 29.827
355 HA TRP 51 HA TRP 51 17.219 3.293 30.648
356 HB2 TRP 51 HB2 TRP 51 17.523 5.020 32.050
357 HB3 TRP 51 HB1 TRP 51 18.499 5.888 30.867
358 HD1 TRP 51 HD1 TRP 51 17.130 7.356 29.016
359 HE1 TRP 51 HE1 TRP 51 14.878 8.591 29.231
360 HE3 TRP 51 HE3 TRP 51 15.238 5.029 33.150
361 HZ2 TRP 51 HZ2 TRP 51 12.578 8.594 30.932
362 HZ3 TRP 51 HZ3 TRP 51 13.017 5.668 34.046
363 HH2 TRP 51 HH2 TRP 51 11.687 7.446 32.943
364 H THR 52 HN THR 52 17.646 5.574 27.969
365 HA THR 52 HA THR 52 14.953 6.042 27.369
366 HB THR 52 HB THR 52 17.421 5.982 25.632
367 HG1 THR 52 HG1 THR 52 16.251 8.324 25.776
368 HG21 THR 52 HG21 THR 52 14.544 6.342 24.921
369 HG22 THR 52 HG22 THR 52 15.854 5.637 23.975
370 HG23 THR 52 HG23 THR 52 15.726 7.388 24.135
371 H VAL 53 HN VAL 53 17.163 3.568 26.069
372 HA VAL 53 HA VAL 53 15.135 2.280 24.509
373 HB VAL 53 HB VAL 53 17.673 0.956 25.438
374 HG11 VAL 53 HG11 VAL 53 15.659 0.099 23.819
375 HG12 VAL 53 HG12 VAL 53 17.333 -0.432 23.657
376 HG13 VAL 53 HG13 VAL 53 16.717 0.866 22.635
377 HG21 VAL 53 HG21 VAL 53 18.519 3.055 24.753
378 HG22 VAL 53 HG22 VAL 53 17.312 3.225 23.480
379 HG23 VAL 53 HG23 VAL 53 18.630 2.069 23.296
380 H PHE 54 HN PHE 54 16.813 1.402 27.533
381 HA PHE 54 HA PHE 54 15.635 -0.966 28.171
382 HB2 PHE 54 HB2 PHE 54 17.304 0.344 29.557
383 HB3 PHE 54 HB1 PHE 54 15.936 1.262 30.189
384 HD1 PHE 54 HD1 PHE 54 14.030 -0.006 31.315
385 HD2 PHE 54 HD2 PHE 54 17.820 -1.807 30.404
386 HE1 PHE 54 HE1 PHE 54 13.554 -1.824 32.933
387 HE2 PHE 54 HE2 PHE 54 17.346 -3.625 32.021
388 HZ PHE 54 HZ PHE 54 15.212 -3.633 33.286
389 H ARG 55 HN ARG 55 14.148 2.206 28.226
390 HA ARG 55 HA ARG 55 11.778 1.364 29.627
391 HB2 ARG 55 HB2 ARG 55 12.454 3.839 28.026
392 HB3 ARG 55 HB1 ARG 55 10.900 3.597 28.827
393 HG2 ARG 55 HG2 ARG 55 13.124 3.012 30.614
394 HG3 ARG 55 HG1 ARG 55 13.208 4.659 29.990
395 HD2 ARG 55 HD2 ARG 55 11.841 4.362 32.118
396 HD3 ARG 55 HD1 ARG 55 11.021 5.179 30.791
397 HE ARG 55 HE ARG 55 10.585 2.321 30.832
398 HH11 ARG 55 HH21 ARG 55 9.608 5.416 32.031
399 HH12 ARG 55 HH22 ARG 55 7.987 4.919 32.389
400 HH21 ARG 55 HH11 ARG 55 8.462 1.662 31.300
401 HH22 ARG 55 HH12 ARG 55 7.339 2.794 31.975
402 H LYS 56 HN LYS 56 12.783 1.652 26.273
403 HA LYS 56 HA LYS 56 10.208 1.389 25.104
404 HB2 LYS 56 HB2 LYS 56 12.970 0.782 24.029
405 HB3 LYS 56 HB1 LYS 56 11.501 0.740 23.055
406 HG2 LYS 56 HG2 LYS 56 12.008 3.187 24.690
407 HG3 LYS 56 HG1 LYS 56 12.987 2.952 23.241
408 HD2 LYS 56 HD2 LYS 56 10.948 2.700 21.888
409 HD3 LYS 56 HD1 LYS 56 9.955 2.903 23.332
410 HE2 LYS 56 HE2 LYS 56 11.986 5.004 22.659
411 HE3 LYS 56 HE1 LYS 56 10.461 4.974 21.775
412 HZ1 LYS 56 HZ1 LYS 56 10.366 4.747 24.690
413 HZ2 LYS 56 HZ2 LYS 56 9.264 5.477 23.622
414 HZ3 LYS 56 HZ3 LYS 56 10.711 6.270 24.028
415 H LYS 57 HN LYS 57 12.064 -0.799 26.859
416 HA LYS 57 HA LYS 57 11.023 -3.157 25.455
417 HB2 LYS 57 HB2 LYS 57 12.595 -3.438 27.964
418 HB3 LYS 57 HB1 LYS 57 12.671 -4.378 26.475
419 HG2 LYS 57 HG2 LYS 57 13.773 -1.582 26.886
420 HG3 LYS 57 HG1 LYS 57 14.716 -3.061 26.720
421 HD2 LYS 57 HD2 LYS 57 13.148 -3.173 24.478
422 HD3 LYS 57 HD1 LYS 57 13.396 -1.435 24.643
423 HE2 LYS 57 HE2 LYS 57 15.878 -1.953 24.937
424 HE3 LYS 57 HE1 LYS 57 15.502 -3.592 24.409
425 HZ1 LYS 57 HZ1 LYS 57 14.454 -1.437 22.764
426 HZ2 LYS 57 HZ2 LYS 57 15.124 -2.930 22.305
427 HZ3 LYS 57 HZ3 LYS 57 16.138 -1.636 22.738
428 H GLY 58 HN GLY 58 9.094 -1.504 26.667
429 HA2 GLY 58 HA2 GLY 58 8.375 -2.446 29.270
430 HA3 GLY 58 HA1 GLY 58 7.344 -1.529 28.174
431 H HIS 59 HN HIS 59 8.783 -4.789 28.441
432 HA HIS 59 HA HIS 59 6.145 -5.959 27.939
433 HB2 HIS 59 HB2 HIS 59 8.587 -6.581 26.261
434 HB3 HIS 59 HB1 HIS 59 7.067 -7.474 26.209
435 HD2 HIS 59 HD2 HIS 59 8.364 -3.838 25.301
436 HE1 HIS 59 HE1 HIS 59 4.657 -4.481 23.385
437 HE2 HIS 59 HE2 HIS 59 6.609 -2.874 23.625
438 H HIS 60 HN HIS 60 9.557 -7.014 28.078
439 HA HIS 60 HA HIS 60 10.492 -8.819 29.188
440 HB2 HIS 60 HB2 HIS 60 10.590 -7.099 30.896
441 HB3 HIS 60 HB1 HIS 60 8.931 -7.441 31.384
442 HD2 HIS 60 HD2 HIS 60 11.004 -10.631 30.710
443 HE1 HIS 60 HE1 HIS 60 10.943 -10.080 34.895
444 HE2 HIS 60 HE2 HIS 60 11.553 -11.693 33.032
445 H HIS 61 HN HIS 61 7.886 -8.915 31.460
446 HA HIS 61 HA HIS 61 6.652 -10.755 32.144
447 HB2 HIS 61 HB2 HIS 61 5.791 -9.807 29.490
448 HB3 HIS 61 HB1 HIS 61 5.168 -11.390 29.959
449 HD2 HIS 61 HD2 HIS 61 5.570 -8.093 32.180
450 HE1 HIS 61 HE1 HIS 61 1.642 -9.589 32.583
451 HE2 HIS 61 HE2 HIS 61 3.255 -7.783 33.349
452 H HIS 62 HN HIS 62 6.730 -11.886 28.824
453 HA HIS 62 HA HIS 62 8.743 -13.885 29.281
454 HB2 HIS 62 HB2 HIS 62 5.894 -14.503 29.729
455 HB3 HIS 62 HB1 HIS 62 6.742 -15.630 28.669
456 HD2 HIS 62 HD2 HIS 62 6.772 -14.524 32.430
457 HE1 HIS 62 HE1 HIS 62 9.546 -17.674 31.977
458 HE2 HIS 62 HE2 HIS 62 8.357 -16.193 33.663
459 H HIS 63 HN HIS 63 8.788 -15.464 27.386
460 HA HIS 63 HA HIS 63 9.019 -14.076 24.983
461 HB2 HIS 63 HB2 HIS 63 8.511 -17.043 25.305
462 HB3 HIS 63 HB1 HIS 63 9.262 -16.247 23.921
463 HD2 HIS 63 HD2 HIS 63 10.686 -18.304 26.488
464 HE1 HIS 63 HE1 HIS 63 13.291 -14.982 26.576
465 HE2 HIS 63 HE2 HIS 63 13.002 -17.401 27.291
466 H HIS 64 HN HIS 64 7.206 -12.885 24.448
467 HA HIS 64 HA HIS 64 4.550 -13.786 24.468
468 HB2 HIS 64 HB2 HIS 64 4.026 -11.848 23.247
469 HB3 HIS 64 HB1 HIS 64 5.484 -11.396 24.132
470 HD2 HIS 64 HD2 HIS 64 7.736 -10.889 22.519
471 HE1 HIS 64 HE1 HIS 64 5.898 -11.756 18.818
472 HE2 HIS 64 HE2 HIS 64 7.987 -10.822 19.920
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