Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
577124 | 2mj9 RC | 19712 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 HIS 1 H1 HIS 1 63.433 15.183 14.004
2 H2 HIS 1 H2 HIS 1 63.884 13.819 13.066
3 H3 HIS 1 H3 HIS 1 62.368 14.582 12.806
4 HA HIS 1 HA HIS 1 63.443 16.549 12.059
5 HB2 HIS 1 HB3 HIS 1 65.634 15.372 13.421
6 HB3 HIS 1 HB2 HIS 1 66.100 15.506 11.729
7 HD1 HIS 1 HD1 HIS 1 67.547 17.517 11.619
8 HD2 HIS 1 HD2 HIS 1 64.142 18.172 13.911
9 HE1 HIS 1 HE1 HIS 1 67.610 19.953 12.237
10 HE2 HIS 1 HE2 HIS 1 65.495 20.346 13.550
11 H GLY 2 H GLY 2 63.768 16.808 9.843
12 HA2 GLY 2 HA3 GLY 2 64.147 14.349 8.271
13 HA3 GLY 2 HA2 GLY 2 62.747 15.365 7.963
14 H GLU 3 H GLU 3 64.689 14.715 6.030
15 HA GLU 3 HA GLU 3 65.893 17.364 5.563
16 HB2 GLU 3 HB3 GLU 3 67.083 14.696 5.478
17 HB3 GLU 3 HB2 GLU 3 67.355 15.609 4.001
18 HG2 GLU 3 HG3 GLU 3 69.119 16.432 5.090
19 HG3 GLU 3 HG2 GLU 3 67.937 17.473 5.881
20 H GLY 4 H GLY 4 63.252 16.370 4.790
21 HA2 GLY 4 HA3 GLY 4 61.974 16.921 2.908
22 HA3 GLY 4 HA2 GLY 4 63.448 17.003 1.958
23 H THR 5 H THR 5 64.416 15.013 1.242
24 HA THR 5 HA THR 5 64.337 12.973 0.240
25 HB THR 5 HB THR 5 62.240 11.894 2.022
26 HG1 THR 5 HG1 THR 5 63.063 13.038 3.623
27 HG21 THR 5 HG21 THR 5 63.324 10.120 1.182
28 HG22 THR 5 HG22 THR 5 64.443 10.437 2.508
29 HG23 THR 5 HG23 THR 5 64.807 11.027 0.886
30 H PHE 6 H PHE 6 62.377 11.146 -0.257
31 HA PHE 6 HA PHE 6 60.083 12.595 -1.334
32 HB2 PHE 6 HB3 PHE 6 60.489 11.183 -3.512
33 HB3 PHE 6 HB2 PHE 6 61.313 12.720 -3.286
34 HD1 PHE 6 HD2 PHE 6 62.031 9.329 -1.912
35 HD2 PHE 6 HD1 PHE 6 63.354 12.563 -4.342
36 HE1 PHE 6 HE2 PHE 6 64.198 8.207 -2.220
37 HE2 PHE 6 HE1 PHE 6 65.522 11.445 -4.654
38 HZ PHE 6 HZ PHE 6 65.947 9.265 -3.592
39 H THR 7 H THR 7 59.687 11.110 0.750
40 HA THR 7 HA THR 7 58.340 8.739 -0.301
41 HB THR 7 HB THR 7 60.277 7.693 0.514
42 HG1 THR 7 HG1 THR 7 59.556 6.678 2.471
43 HG21 THR 7 HG21 THR 7 60.512 8.492 3.217
44 HG22 THR 7 HG22 THR 7 60.521 9.940 2.212
45 HG23 THR 7 HG23 THR 7 61.687 8.652 1.912
46 H SER 8 H SER 8 56.480 8.163 0.791
47 HA SER 8 HA SER 8 55.668 9.017 3.309
48 HB2 SER 8 HB3 SER 8 55.620 11.151 1.470
49 HB3 SER 8 HB2 SER 8 53.938 10.662 1.681
50 HG SER 8 HG SER 8 55.760 11.268 3.774
51 H ASP 9 H ASP 9 54.698 8.287 0.010
52 HA ASP 9 HA ASP 9 52.259 6.983 0.991
53 HB2 ASP 9 HB3 ASP 9 53.176 7.756 -1.785
54 HB3 ASP 9 HB2 ASP 9 51.747 6.771 -1.489
55 H LEU 10 H LEU 10 54.874 5.902 1.488
56 HA LEU 10 HA LEU 10 54.492 3.364 0.093
57 HB2 LEU 10 HB3 LEU 10 56.925 2.927 0.499
58 HB3 LEU 10 HB2 LEU 10 56.547 4.132 -0.715
59 HG LEU 10 HG LEU 10 57.261 5.915 0.666
60 HD11 LEU 10 HD11 LEU 10 56.302 5.414 2.766
61 HD12 LEU 10 HD12 LEU 10 58.044 5.471 3.024
62 HD13 LEU 10 HD13 LEU 10 57.220 3.915 2.912
63 HD21 LEU 10 HD21 LEU 10 59.547 4.936 1.525
64 HD22 LEU 10 HD22 LEU 10 59.202 5.071 -0.200
65 HD23 LEU 10 HD23 LEU 10 59.022 3.517 0.619
66 H SER 11 H SER 11 53.765 4.762 2.747
67 HA SER 11 HA SER 11 54.474 2.502 4.455
68 HB2 SER 11 HB3 SER 11 55.526 4.448 5.362
69 HB3 SER 11 HB2 SER 11 54.071 5.409 5.104
70 H LYS 12 H LYS 12 52.027 4.591 3.240
71 HA LYS 12 HA LYS 12 49.962 3.019 4.619
72 HB2 LYS 12 HB3 LYS 12 50.267 5.936 4.107
73 HB3 LYS 12 HB2 LYS 12 48.667 5.229 4.200
74 HG2 LYS 12 HG3 LYS 12 48.791 4.934 6.423
75 HG3 LYS 12 HG2 LYS 12 50.480 4.424 6.318
76 HD2 LYS 12 HD3 LYS 12 50.371 6.477 7.574
77 HD3 LYS 12 HD2 LYS 12 51.138 6.793 6.015
78 HE2 LYS 12 HE2 LYS 12 48.928 7.571 5.167
79 HE3 LYS 12 HE3 LYS 12 48.286 7.392 6.798
80 HZ1 LYS 12 HZ1 LYS 12 50.242 9.342 5.781
81 HZ2 LYS 12 HZ2 LYS 12 50.255 8.924 7.419
82 HZ3 LYS 12 HZ3 LYS 12 48.867 9.602 6.733
83 H GLN 13 H GLN 13 51.251 4.097 1.699
84 HA GLN 13 HA GLN 13 48.789 3.348 0.280
85 HB2 GLN 13 HB3 GLN 13 49.333 5.704 0.024
86 HB3 GLN 13 HB2 GLN 13 50.932 5.277 -0.558
87 HG2 GLN 13 HG3 GLN 13 49.437 5.907 -2.383
88 HG3 GLN 13 HG2 GLN 13 49.976 4.234 -2.522
89 HE21 GLN 13 HE21 GLN 13 48.444 2.917 -3.158
90 HE22 GLN 13 HE22 GLN 13 46.755 3.046 -2.782
91 H MET 14 H MET 14 52.329 3.102 0.299
92 HA MET 14 HA MET 14 52.011 1.039 -1.796
93 HB2 MET 14 HB3 MET 14 53.889 1.761 -2.743
94 HB3 MET 14 HB2 MET 14 53.960 3.064 -1.574
95 HG2 MET 14 HG3 MET 14 55.339 1.781 -0.121
96 HG3 MET 14 HG2 MET 14 55.106 0.326 -1.104
97 HE1 MET 14 HE1 MET 14 55.613 0.542 -3.803
98 HE2 MET 14 HE2 MET 14 56.836 -0.387 -2.935
99 HE3 MET 14 HE3 MET 14 57.325 0.805 -4.142
100 H GLU 15 H GLU 15 52.540 1.626 1.479
101 HA GLU 15 HA GLU 15 53.643 -1.019 1.939
102 HB2 GLU 15 HB3 GLU 15 53.664 1.437 3.395
103 HB3 GLU 15 HB2 GLU 15 52.934 0.190 4.394
104 HG2 GLU 15 HG3 GLU 15 54.899 -1.234 4.002
105 HG3 GLU 15 HG2 GLU 15 55.637 0.068 3.070
106 H GLU 16 H GLU 16 50.681 0.930 2.175
107 HA GLU 16 HA GLU 16 49.084 -0.770 3.700
108 HB2 GLU 16 HB3 GLU 16 48.668 1.374 1.875
109 HB3 GLU 16 HB2 GLU 16 47.560 0.083 1.438
110 HG2 GLU 16 HG3 GLU 16 46.793 0.011 3.790
111 HG3 GLU 16 HG2 GLU 16 47.819 1.403 4.126
112 H GLU 17 H GLU 17 50.188 -0.978 0.407
113 HA GLU 17 HA GLU 17 48.837 -3.497 -0.115
114 HB2 GLU 17 HB3 GLU 17 49.303 -3.123 -2.326
115 HB3 GLU 17 HB2 GLU 17 49.296 -1.464 -1.759
116 HG2 GLU 17 HG3 GLU 17 51.791 -1.735 -1.431
117 HG3 GLU 17 HG2 GLU 17 51.649 -3.207 -2.365
118 H DAL 18 H ALA 18 51.995 -2.115 0.498
119 HA DAL 18 HA ALA 18 53.941 -3.033 1.233
120 HB1 DAL 18 HB1 ALA 18 54.383 -5.323 -0.133
121 HB2 DAL 18 HB2 ALA 18 54.675 -3.711 -0.786
122 HB3 DAL 18 HB3 ALA 18 53.173 -4.557 -1.164
123 H VAL 19 H VAL 19 51.627 -3.630 2.717
124 HA VAL 19 HA VAL 19 52.558 -5.798 4.314
125 HB VAL 19 HB VAL 19 49.913 -4.325 4.383
126 HG11 VAL 19 HG11 VAL 19 51.180 -6.212 6.360
127 HG12 VAL 19 HG12 VAL 19 49.659 -6.433 5.496
128 HG13 VAL 19 HG13 VAL 19 49.803 -5.173 6.721
129 HG21 VAL 19 HG21 VAL 19 52.335 -3.256 4.855
130 HG22 VAL 19 HG22 VAL 19 51.962 -3.899 6.454
131 HG23 VAL 19 HG23 VAL 19 50.865 -2.749 5.688
132 H ARG 20 H ARG 20 50.125 -5.367 1.822
133 HA ARG 20 HA ARG 20 48.783 -7.831 2.186
134 HB2 ARG 20 HB3 ARG 20 49.080 -6.142 -0.309
135 HB3 ARG 20 HB2 ARG 20 47.960 -7.483 -0.128
136 HG2 ARG 20 HG3 ARG 20 47.802 -5.343 1.903
137 HG3 ARG 20 HG2 ARG 20 47.269 -4.939 0.269
138 HD2 ARG 20 HD3 ARG 20 45.859 -7.037 0.352
139 HD3 ARG 20 HD2 ARG 20 46.236 -7.118 2.072
140 HE ARG 20 HE ARG 20 45.205 -4.566 1.354
141 HH11 ARG 20 HH11 ARG 20 44.258 -7.860 2.009
142 HH12 ARG 20 HH12 ARG 20 42.659 -7.429 2.518
143 HH21 ARG 20 HH21 ARG 20 43.104 -3.998 2.023
144 HH22 ARG 20 HH22 ARG 20 42.006 -5.237 2.526
145 H LEU 21 H LEU 21 51.604 -6.825 0.317
146 HA LEU 21 HA LEU 21 51.938 -9.521 -0.754
147 HB2 LEU 21 HB3 LEU 21 53.822 -7.202 -1.051
148 HB3 LEU 21 HB2 LEU 21 53.699 -8.627 -2.069
149 HG LEU 21 HG LEU 21 51.584 -6.503 -1.812
150 HD11 LEU 21 HD11 LEU 21 53.943 -6.139 -3.025
151 HD12 LEU 21 HD12 LEU 21 52.437 -5.441 -3.623
152 HD13 LEU 21 HD13 LEU 21 53.061 -6.930 -4.333
153 HD21 LEU 21 HD21 LEU 21 51.600 -8.335 -4.108
154 HD22 LEU 21 HD22 LEU 21 50.254 -7.727 -3.145
155 HD23 LEU 21 HD23 LEU 21 51.220 -9.081 -2.555
156 H TYR 22 H TYR 22 53.192 -7.461 1.746
157 HA TYR 22 HA TYR 22 55.535 -8.948 2.338
158 HB2 TYR 22 HB3 TYR 22 55.482 -6.778 3.225
159 HB3 TYR 22 HB2 TYR 22 53.836 -6.946 3.786
160 HD1 TYR 22 HD1 TYR 22 56.805 -9.113 4.344
161 HD2 TYR 22 HD2 TYR 22 53.863 -6.551 6.017
162 HE1 TYR 22 HE1 TYR 22 57.610 -9.672 6.595
163 HE2 TYR 22 HE2 TYR 22 54.645 -7.091 8.267
164 HH TYR 22 HH TYR 22 57.074 -7.966 9.221
165 H ILE 23 H ILE 23 52.266 -8.805 3.607
166 HA ILE 23 HA ILE 23 52.563 -10.963 5.410
167 HB ILE 23 HB ILE 23 50.080 -9.847 4.083
168 HG12 ILE 23 HG12 ILE 23 51.457 -8.339 5.607
169 HG13 ILE 23 HG13 ILE 23 49.767 -8.551 6.045
170 HG21 ILE 23 HG21 ILE 23 49.183 -10.978 6.340
171 HG22 ILE 23 HG22 ILE 23 50.513 -12.071 5.960
172 HG23 ILE 23 HG23 ILE 23 49.226 -11.807 4.784
173 HD11 ILE 23 HD11 ILE 23 52.169 -9.822 7.326
174 HD12 ILE 23 HD12 ILE 23 50.505 -10.282 7.689
175 HD13 ILE 23 HD13 ILE 23 51.065 -8.644 8.031
176 H GLN 24 H GLN 24 51.938 -10.611 1.990
177 HA GLN 24 HA GLN 24 51.033 -13.264 1.469
178 HB2 GLN 24 HB3 GLN 24 50.895 -11.289 -0.115
179 HB3 GLN 24 HB2 GLN 24 52.612 -11.489 -0.402
180 HG2 GLN 24 HG3 GLN 24 51.471 -12.547 -2.180
181 HG3 GLN 24 HG2 GLN 24 52.137 -13.817 -1.153
182 HE21 GLN 24 HE21 GLN 24 50.795 -15.246 -0.201
183 HE22 GLN 24 HE22 GLN 24 49.078 -15.251 -0.396
184 H TRP 25 H TRP 25 54.159 -11.633 1.370
185 HA TRP 25 HA TRP 25 55.835 -13.762 0.688
186 HB2 TRP 25 HB3 TRP 25 56.708 -11.513 0.778
187 HB3 TRP 25 HB2 TRP 25 56.259 -11.353 2.474
188 HD1 TRP 25 HD1 TRP 25 58.812 -13.147 0.239
189 HE1 TRP 25 HE1 TRP 25 60.839 -13.773 1.685
190 HE3 TRP 25 HE3 TRP 25 57.010 -11.749 4.796
191 HZ2 TRP 25 HZ2 TRP 25 61.588 -13.663 4.413
192 HZ3 TRP 25 HZ3 TRP 25 58.441 -12.027 6.773
193 HH2 TRP 25 HH2 TRP 25 60.675 -12.983 6.582
194 H LEU 26 H LEU 26 54.227 -12.855 3.625
195 HA LEU 26 HA LEU 26 55.592 -14.807 5.260
196 HB2 LEU 26 HB3 LEU 26 53.540 -12.688 5.690
197 HB3 LEU 26 HB2 LEU 26 53.617 -14.000 6.842
198 HG LEU 26 HG LEU 26 55.663 -11.886 6.276
199 HD11 LEU 26 HD11 LEU 26 55.506 -11.458 8.597
200 HD12 LEU 26 HD12 LEU 26 54.621 -12.957 8.883
201 HD13 LEU 26 HD13 LEU 26 53.852 -11.633 8.009
202 HD21 LEU 26 HD21 LEU 26 57.178 -13.162 7.804
203 HD22 LEU 26 HD22 LEU 26 56.966 -13.880 6.208
204 HD23 LEU 26 HD23 LEU 26 56.114 -14.552 7.598
205 H LYS 27 H LYS 27 52.596 -14.485 3.475
206 HA LYS 27 HA LYS 27 50.983 -16.387 4.636
207 HB2 LYS 27 HB3 LYS 27 51.099 -15.037 2.147
208 HB3 LYS 27 HB2 LYS 27 50.859 -16.741 1.792
209 HG2 LYS 27 HG3 LYS 27 48.703 -16.458 2.196
210 HG3 LYS 27 HG2 LYS 27 49.104 -16.166 3.890
211 HD2 LYS 27 HD3 LYS 27 49.641 -13.739 2.883
212 HD3 LYS 27 HD2 LYS 27 48.395 -14.255 1.744
213 HE2 LYS 27 HE2 LYS 27 48.172 -14.077 4.745
214 HE3 LYS 27 HE3 LYS 27 47.344 -13.077 3.553
215 HZ1 LYS 27 HZ1 LYS 27 46.232 -15.122 2.756
216 HZ2 LYS 27 HZ2 LYS 27 45.835 -14.723 4.352
217 HZ3 LYS 27 HZ3 LYS 27 46.930 -15.975 4.042
218 H GLU 28 H GLU 28 53.814 -16.866 2.647
219 HA GLU 28 HA GLU 28 53.422 -19.753 2.607
220 HB2 GLU 28 HB3 GLU 28 55.843 -18.370 1.500
221 HB3 GLU 28 HB2 GLU 28 55.080 -19.862 0.969
222 HG2 GLU 28 HG3 GLU 28 53.089 -18.101 0.496
223 HG3 GLU 28 HG2 GLU 28 54.502 -17.074 0.244
224 H GLY 29 H GLY 29 55.236 -17.318 4.292
225 HA2 GLY 29 HA3 GLY 29 56.022 -18.091 6.518
226 HA3 GLY 29 HA2 GLY 29 56.764 -19.444 5.658
227 H GLY 30 H GLY 30 56.741 -16.349 4.162
228 HA2 GLY 30 HA3 GLY 30 58.699 -15.398 3.217
229 HA3 GLY 30 HA2 GLY 30 58.559 -14.700 4.811
230 HA PRO 31 HA PRO 31 62.551 -16.176 5.758
231 HB2 PRO 31 HB3 PRO 31 62.381 -16.451 8.438
232 HB3 PRO 31 HB2 PRO 31 62.327 -14.870 7.647
233 HG2 PRO 31 HG3 PRO 31 60.079 -16.535 8.703
234 HG3 PRO 31 HG2 PRO 31 60.322 -14.784 8.813
235 HD2 PRO 31 HD3 PRO 31 58.673 -15.986 7.007
236 HD3 PRO 31 HD2 PRO 31 59.425 -14.429 6.749
237 H SER 32 H SER 32 61.382 -18.278 4.606
238 HA SER 32 HA SER 32 62.596 -20.503 5.780
239 HB2 SER 32 HB3 SER 32 60.836 -20.409 7.456
240 HB3 SER 32 HB2 SER 32 59.600 -20.379 6.198
241 HG SER 32 HG SER 32 59.995 -22.478 7.157
242 H SER 33 H SER 33 59.954 -19.371 3.733
243 HA SER 33 HA SER 33 59.660 -21.604 2.096
244 HB2 SER 33 HB3 SER 33 58.541 -19.095 2.201
245 HB3 SER 33 HB2 SER 33 59.430 -19.043 0.674
246 HG SER 33 HG SER 33 57.536 -21.013 1.449
247 H GLY 34 H GLY 34 61.327 -18.634 1.038
248 HA2 GLY 34 HA3 GLY 34 63.812 -19.564 0.444
249 HA3 GLY 34 HA2 GLY 34 62.838 -20.124 -0.913
250 H ARG 35 H ARG 35 62.578 -17.096 0.910
251 HA ARG 35 HA ARG 35 63.802 -15.531 -1.151
252 HB2 ARG 35 HB3 ARG 35 61.730 -14.214 -1.659
253 HB3 ARG 35 HB2 ARG 35 61.714 -15.858 -2.286
254 HG2 ARG 35 HG3 ARG 35 60.530 -16.215 0.125
255 HG3 ARG 35 HG2 ARG 35 60.007 -14.581 -0.279
256 HD2 ARG 35 HD3 ARG 35 58.346 -15.889 -1.225
257 HD3 ARG 35 HD2 ARG 35 59.424 -15.589 -2.587
258 HE ARG 35 HE ARG 35 60.178 -17.974 -1.295
259 HH11 ARG 35 HH11 ARG 35 57.641 -16.680 -3.312
260 HH12 ARG 35 HH12 ARG 35 57.254 -18.212 -4.022
261 HH21 ARG 35 HH21 ARG 35 59.672 -19.989 -2.229
262 HH22 ARG 35 HH22 ARG 35 58.406 -20.091 -3.407
263 HA PRO 36 HA PRO 36 64.005 -12.743 2.270
264 HB2 PRO 36 HB3 PRO 36 64.607 -10.429 1.057
265 HB3 PRO 36 HB2 PRO 36 65.724 -11.799 1.047
266 HG2 PRO 36 HG3 PRO 36 63.964 -10.774 -1.115
267 HG3 PRO 36 HG2 PRO 36 65.552 -11.548 -1.229
268 HD2 PRO 36 HD3 PRO 36 63.051 -12.773 -1.634
269 HD3 PRO 36 HD2 PRO 36 64.611 -13.598 -1.466
270 HA PRO 37 HA PRO 37 60.239 -10.484 2.751
271 HB2 PRO 37 HB3 PRO 37 61.264 -8.559 4.571
272 HB3 PRO 37 HB2 PRO 37 60.505 -10.107 4.957
273 HG2 PRO 37 HG3 PRO 37 63.186 -9.442 5.389
274 HG3 PRO 37 HG2 PRO 37 62.499 -11.074 5.413
275 HD2 PRO 37 HD3 PRO 37 64.020 -9.690 3.260
276 HD3 PRO 37 HD2 PRO 37 63.980 -11.413 3.687
277 HA PRO 38 HA PRO 38 60.300 -7.022 -0.043
278 HB2 PRO 38 HB3 PRO 38 57.826 -6.019 0.566
279 HB3 PRO 38 HB2 PRO 38 58.092 -7.413 -0.488
280 HG2 PRO 38 HG3 PRO 38 57.340 -7.344 2.406
281 HG3 PRO 38 HG2 PRO 38 56.719 -8.380 1.111
282 HD2 PRO 38 HD3 PRO 38 58.528 -9.267 2.884
283 HD3 PRO 38 HD2 PRO 38 58.545 -9.792 1.188
284 H SER 39 H SER 39 59.178 -4.591 0.300
285 HA SER 39 HA SER 39 60.870 -3.423 2.345
286 HB2 SER 39 HB3 SER 39 60.988 -2.258 0.300
287 HB3 SER 39 HB2 SER 39 59.239 -2.289 0.081
288 HG SER 39 HG SER 39 60.464 -0.928 2.236
Start of MODEL 2
1 H1 HIS 1 H1 HIS 1 63.319 18.369 -11.340
2 H2 HIS 1 H2 HIS 1 64.564 18.036 -10.208
3 H3 HIS 1 H3 HIS 1 63.225 19.008 -9.753
4 HA HIS 1 HA HIS 1 61.770 17.239 -9.797
5 HB2 HIS 1 HB3 HIS 1 63.019 16.371 -11.931
6 HB3 HIS 1 HB2 HIS 1 63.916 15.386 -10.781
7 HD1 HIS 1 HD1 HIS 1 62.794 13.313 -12.003
8 HD2 HIS 1 HD2 HIS 1 60.191 15.789 -9.917
9 HE1 HIS 1 HE1 HIS 1 60.669 11.991 -11.747
10 HE2 HIS 1 HE2 HIS 1 59.139 13.477 -10.407
11 H GLY 2 H GLY 2 61.507 15.891 -8.023
12 HA2 GLY 2 HA3 GLY 2 63.883 15.638 -6.283
13 HA3 GLY 2 HA2 GLY 2 62.272 15.980 -5.672
14 H GLU 3 H GLU 3 60.909 14.107 -7.382
15 HA GLU 3 HA GLU 3 60.219 11.941 -7.384
16 HB2 GLU 3 HB3 GLU 3 63.163 11.766 -7.374
17 HB3 GLU 3 HB2 GLU 3 62.332 10.314 -6.834
18 HG2 GLU 3 HG3 GLU 3 61.301 9.984 -8.880
19 HG3 GLU 3 HG2 GLU 3 61.522 11.662 -9.374
20 H GLY 4 H GLY 4 60.284 9.838 -5.973
21 HA2 GLY 4 HA3 GLY 4 59.612 10.674 -3.304
22 HA3 GLY 4 HA2 GLY 4 59.500 9.043 -3.945
23 H THR 5 H THR 5 61.550 11.375 -2.360
24 HA THR 5 HA THR 5 63.510 9.243 -1.828
25 HB THR 5 HB THR 5 64.487 11.876 -1.161
26 HG1 THR 5 HG1 THR 5 63.684 11.513 -3.856
27 HG21 THR 5 HG21 THR 5 66.059 10.173 -1.563
28 HG22 THR 5 HG22 THR 5 66.191 11.292 -2.920
29 HG23 THR 5 HG23 THR 5 65.333 9.764 -3.118
30 H PHE 6 H PHE 6 61.020 9.698 -0.382
31 HA PHE 6 HA PHE 6 62.132 9.773 2.285
32 HB2 PHE 6 HB3 PHE 6 60.500 11.476 3.086
33 HB3 PHE 6 HB2 PHE 6 61.701 12.131 1.980
34 HD1 PHE 6 HD2 PHE 6 58.179 11.214 2.398
35 HD2 PHE 6 HD1 PHE 6 61.081 12.943 -0.190
36 HE1 PHE 6 HE2 PHE 6 56.377 12.107 0.983
37 HE2 PHE 6 HE1 PHE 6 59.284 13.840 -1.612
38 HZ PHE 6 HZ PHE 6 56.928 13.422 -1.027
39 H THR 7 H THR 7 60.004 9.719 3.858
40 HA THR 7 HA THR 7 58.485 7.415 2.862
41 HB THR 7 HB THR 7 57.933 7.112 5.326
42 HG1 THR 7 HG1 THR 7 59.031 8.284 6.787
43 HG21 THR 7 HG21 THR 7 59.755 5.859 4.137
44 HG22 THR 7 HG22 THR 7 59.950 6.026 5.882
45 HG23 THR 7 HG23 THR 7 60.884 7.046 4.788
46 H SER 8 H SER 8 56.274 7.370 2.849
47 HA SER 8 HA SER 8 54.517 9.036 4.170
48 HB2 SER 8 HB3 SER 8 55.334 10.970 3.070
49 HB3 SER 8 HB2 SER 8 55.419 10.145 1.514
50 HG SER 8 HG SER 8 53.374 11.507 2.593
51 H ASP 9 H ASP 9 54.642 8.319 0.672
52 HA ASP 9 HA ASP 9 52.125 6.857 0.963
53 HB2 ASP 9 HB3 ASP 9 53.577 7.720 -1.550
54 HB3 ASP 9 HB2 ASP 9 51.979 6.982 -1.487
55 H LEU 10 H LEU 10 54.707 5.802 1.818
56 HA LEU 10 HA LEU 10 54.513 3.315 0.318
57 HB2 LEU 10 HB3 LEU 10 56.954 2.946 0.844
58 HB3 LEU 10 HB2 LEU 10 56.574 4.090 -0.430
59 HG LEU 10 HG LEU 10 58.439 4.750 1.150
60 HD11 LEU 10 HD11 LEU 10 56.183 6.729 1.094
61 HD12 LEU 10 HD12 LEU 10 57.092 6.282 -0.347
62 HD13 LEU 10 HD13 LEU 10 57.915 7.034 1.018
63 HD21 LEU 10 HD21 LEU 10 56.188 5.407 3.038
64 HD22 LEU 10 HD22 LEU 10 57.921 5.585 3.309
65 HD23 LEU 10 HD23 LEU 10 57.205 3.977 3.202
66 H SER 11 H SER 11 53.590 4.653 2.879
67 HA SER 11 HA SER 11 54.277 2.453 4.663
68 HB2 SER 11 HB3 SER 11 55.243 4.310 5.721
69 HB3 SER 11 HB2 SER 11 53.962 5.387 5.166
70 H LYS 12 H LYS 12 51.889 4.524 3.304
71 HA LYS 12 HA LYS 12 49.747 2.931 4.528
72 HB2 LYS 12 HB3 LYS 12 50.057 5.860 4.064
73 HB3 LYS 12 HB2 LYS 12 48.465 5.131 4.093
74 HG2 LYS 12 HG3 LYS 12 48.507 4.837 6.314
75 HG3 LYS 12 HG2 LYS 12 50.197 4.326 6.275
76 HD2 LYS 12 HD3 LYS 12 50.096 6.362 7.523
77 HD3 LYS 12 HD2 LYS 12 50.840 6.720 5.963
78 HE2 LYS 12 HE2 LYS 12 49.329 8.464 6.251
79 HE3 LYS 12 HE3 LYS 12 48.457 7.338 5.213
80 HZ1 LYS 12 HZ1 LYS 12 47.561 6.439 7.449
81 HZ2 LYS 12 HZ2 LYS 12 46.899 7.854 6.804
82 HZ3 LYS 12 HZ3 LYS 12 48.028 7.945 8.060
83 H GLN 13 H GLN 13 51.230 4.035 1.718
84 HA GLN 13 HA GLN 13 48.860 3.344 0.125
85 HB2 GLN 13 HB3 GLN 13 49.487 5.697 -0.056
86 HB3 GLN 13 HB2 GLN 13 51.101 5.225 -0.562
87 HG2 GLN 13 HG3 GLN 13 50.289 5.524 -2.625
88 HG3 GLN 13 HG2 GLN 13 49.609 3.914 -2.390
89 HE21 GLN 13 HE21 GLN 13 48.961 7.239 -2.816
90 HE22 GLN 13 HE22 GLN 13 47.229 7.144 -2.764
91 H MET 14 H MET 14 52.385 3.048 0.369
92 HA MET 14 HA MET 14 52.183 0.986 -1.737
93 HB2 MET 14 HB3 MET 14 54.135 1.684 -2.551
94 HB3 MET 14 HB2 MET 14 54.126 2.997 -1.391
95 HG2 MET 14 HG3 MET 14 55.385 1.714 0.172
96 HG3 MET 14 HG2 MET 14 55.226 0.256 -0.821
97 HE1 MET 14 HE1 MET 14 55.936 2.048 -3.880
98 HE2 MET 14 HE2 MET 14 55.816 0.374 -3.336
99 HE3 MET 14 HE3 MET 14 57.361 1.008 -3.904
100 H GLU 15 H GLU 15 52.547 1.601 1.567
101 HA GLU 15 HA GLU 15 53.595 -1.035 2.136
102 HB2 GLU 15 HB3 GLU 15 53.624 1.398 3.511
103 HB3 GLU 15 HB2 GLU 15 52.561 0.357 4.446
104 HG2 GLU 15 HG3 GLU 15 54.334 -1.346 4.494
105 HG3 GLU 15 HG2 GLU 15 55.402 -0.234 3.641
106 H GLU 16 H GLU 16 50.605 0.889 2.138
107 HA GLU 16 HA GLU 16 48.904 -0.818 3.522
108 HB2 GLU 16 HB3 GLU 16 48.622 1.341 1.699
109 HB3 GLU 16 HB2 GLU 16 47.557 0.053 1.153
110 HG2 GLU 16 HG3 GLU 16 46.592 -0.058 3.420
111 HG3 GLU 16 HG2 GLU 16 47.596 1.315 3.882
112 H GLU 17 H GLU 17 50.230 -1.011 0.312
113 HA GLU 17 HA GLU 17 48.933 -3.542 -0.291
114 HB2 GLU 17 HB3 GLU 17 49.506 -3.154 -2.473
115 HB3 GLU 17 HB2 GLU 17 49.476 -1.495 -1.904
116 HG2 GLU 17 HG3 GLU 17 51.944 -1.754 -1.461
117 HG3 GLU 17 HG2 GLU 17 51.860 -3.247 -2.366
118 H DAL 18 H ALA 18 52.030 -2.116 0.503
119 HA DAL 18 HA ALA 18 53.941 -3.008 1.353
120 HB1 DAL 18 HB1 ALA 18 53.334 -4.579 -1.067
121 HB2 DAL 18 HB2 ALA 18 54.538 -5.262 0.026
122 HB3 DAL 18 HB3 ALA 18 54.772 -3.649 -0.647
123 H VAL 19 H VAL 19 51.600 -3.617 2.739
124 HA VAL 19 HA VAL 19 52.459 -5.799 4.356
125 HB VAL 19 HB VAL 19 49.806 -4.340 4.339
126 HG11 VAL 19 HG11 VAL 19 49.818 -5.136 6.769
127 HG12 VAL 19 HG12 VAL 19 51.037 -6.299 6.248
128 HG13 VAL 19 HG13 VAL 19 49.429 -6.321 5.523
129 HG21 VAL 19 HG21 VAL 19 50.708 -2.717 5.613
130 HG22 VAL 19 HG22 VAL 19 52.216 -3.237 4.855
131 HG23 VAL 19 HG23 VAL 19 51.783 -3.835 6.456
132 H ARG 20 H ARG 20 50.098 -5.333 1.802
133 HA ARG 20 HA ARG 20 48.729 -7.784 2.099
134 HB2 ARG 20 HB3 ARG 20 49.137 -6.088 -0.375
135 HB3 ARG 20 HB2 ARG 20 47.992 -7.416 -0.241
136 HG2 ARG 20 HG3 ARG 20 47.738 -5.364 1.840
137 HG3 ARG 20 HG2 ARG 20 47.400 -4.811 0.199
138 HD2 ARG 20 HD3 ARG 20 45.352 -5.648 0.487
139 HD3 ARG 20 HD2 ARG 20 46.097 -7.238 0.334
140 HE ARG 20 HE ARG 20 45.798 -7.565 2.586
141 HH11 ARG 20 HH11 ARG 20 45.275 -4.195 1.839
142 HH12 ARG 20 HH12 ARG 20 44.655 -3.815 3.412
143 HH21 ARG 20 HH21 ARG 20 44.982 -7.066 4.652
144 HH22 ARG 20 HH22 ARG 20 44.489 -5.444 5.009
145 H LEU 21 H LEU 21 51.644 -6.810 0.367
146 HA LEU 21 HA LEU 21 51.972 -9.510 -0.707
147 HB2 LEU 21 HB3 LEU 21 53.854 -7.179 -0.969
148 HB3 LEU 21 HB2 LEU 21 53.808 -8.634 -1.953
149 HG LEU 21 HG LEU 21 51.648 -6.544 -1.852
150 HD11 LEU 21 HD11 LEU 21 52.622 -6.513 -4.379
151 HD12 LEU 21 HD12 LEU 21 54.090 -6.835 -3.456
152 HD13 LEU 21 HD13 LEU 21 53.125 -5.400 -3.108
153 HD21 LEU 21 HD21 LEU 21 51.276 -7.969 -4.136
154 HD22 LEU 21 HD22 LEU 21 50.412 -8.245 -2.623
155 HD23 LEU 21 HD23 LEU 21 51.826 -9.222 -3.023
156 H TYR 22 H TYR 22 53.199 -7.446 1.810
157 HA TYR 22 HA TYR 22 55.507 -8.967 2.459
158 HB2 TYR 22 HB3 TYR 22 55.487 -6.806 3.355
159 HB3 TYR 22 HB2 TYR 22 53.815 -6.919 3.851
160 HD1 TYR 22 HD2 TYR 22 56.715 -9.151 4.536
161 HD2 TYR 22 HD1 TYR 22 53.743 -6.541 6.083
162 HE1 TYR 22 HE2 TYR 22 57.410 -9.723 6.823
163 HE2 TYR 22 HE1 TYR 22 54.414 -7.097 8.364
164 HH TYR 22 HH TYR 22 55.565 -8.830 9.585
165 H ILE 23 H ILE 23 52.207 -8.781 3.634
166 HA ILE 23 HA ILE 23 52.432 -10.926 5.462
167 HB ILE 23 HB ILE 23 50.005 -9.783 4.057
168 HG12 ILE 23 HG12 ILE 23 51.349 -8.292 5.620
169 HG13 ILE 23 HG13 ILE 23 49.648 -8.494 6.022
170 HG21 ILE 23 HG21 ILE 23 49.600 -12.063 4.780
171 HG22 ILE 23 HG22 ILE 23 48.695 -10.922 5.775
172 HG23 ILE 23 HG23 ILE 23 50.169 -11.662 6.400
173 HD11 ILE 23 HD11 ILE 23 50.333 -10.226 7.679
174 HD12 ILE 23 HD12 ILE 23 50.915 -8.599 8.032
175 HD13 ILE 23 HD13 ILE 23 52.011 -9.798 7.344
176 H GLN 24 H GLN 24 51.876 -10.595 2.021
177 HA GLN 24 HA GLN 24 50.978 -13.255 1.508
178 HB2 GLN 24 HB3 GLN 24 50.856 -11.291 -0.096
179 HB3 GLN 24 HB2 GLN 24 52.578 -11.486 -0.355
180 HG2 GLN 24 HG3 GLN 24 51.499 -12.570 -2.143
181 HG3 GLN 24 HG2 GLN 24 52.106 -13.838 -1.075
182 HE21 GLN 24 HE21 GLN 24 50.730 -15.464 -1.186
183 HE22 GLN 24 HE22 GLN 24 49.012 -15.350 -1.043
184 H TRP 25 H TRP 25 54.106 -11.621 1.450
185 HA TRP 25 HA TRP 25 55.789 -13.752 0.794
186 HB2 TRP 25 HB3 TRP 25 56.651 -11.498 0.898
187 HB3 TRP 25 HB2 TRP 25 56.191 -11.348 2.591
188 HD1 TRP 25 HD1 TRP 25 58.779 -13.087 0.360
189 HE1 TRP 25 HE1 TRP 25 60.787 -13.736 1.821
190 HE3 TRP 25 HE3 TRP 25 56.896 -11.812 4.918
191 HZ2 TRP 25 HZ2 TRP 25 61.494 -13.692 4.565
192 HZ3 TRP 25 HZ3 TRP 25 58.299 -12.130 6.911
193 HH2 TRP 25 HH2 TRP 25 60.543 -13.065 6.735
194 H LEU 26 H LEU 26 54.100 -12.864 3.683
195 HA LEU 26 HA LEU 26 55.434 -14.818 5.353
196 HB2 LEU 26 HB3 LEU 26 53.411 -12.666 5.742
197 HB3 LEU 26 HB2 LEU 26 53.424 -13.984 6.890
198 HG LEU 26 HG LEU 26 55.512 -11.893 6.408
199 HD11 LEU 26 HD11 LEU 26 55.310 -11.508 8.724
200 HD12 LEU 26 HD12 LEU 26 54.451 -13.029 8.978
201 HD13 LEU 26 HD13 LEU 26 53.662 -11.702 8.125
202 HD21 LEU 26 HD21 LEU 26 56.801 -13.894 6.306
203 HD22 LEU 26 HD22 LEU 26 55.926 -14.597 7.664
204 HD23 LEU 26 HD23 LEU 26 56.998 -13.220 7.921
205 H LYS 27 H LYS 27 52.443 -14.452 3.551
206 HA LYS 27 HA LYS 27 50.834 -16.367 4.710
207 HB2 LYS 27 HB3 LYS 27 51.152 -15.360 1.920
208 HB3 LYS 27 HB2 LYS 27 50.170 -16.796 2.171
209 HG2 LYS 27 HG3 LYS 27 49.304 -15.002 4.112
210 HG3 LYS 27 HG2 LYS 27 49.542 -14.025 2.663
211 HD2 LYS 27 HD3 LYS 27 47.480 -14.721 2.109
212 HD3 LYS 27 HD2 LYS 27 48.288 -16.221 1.644
213 HE2 LYS 27 HE2 LYS 27 46.984 -17.269 3.111
214 HE3 LYS 27 HE3 LYS 27 47.884 -16.455 4.388
215 HZ1 LYS 27 HZ1 LYS 27 45.216 -15.933 3.383
216 HZ2 LYS 27 HZ2 LYS 27 46.144 -14.556 3.706
217 HZ3 LYS 27 HZ3 LYS 27 45.859 -15.690 4.930
218 H GLU 28 H GLU 28 53.709 -16.809 2.820
219 HA GLU 28 HA GLU 28 53.264 -19.695 2.658
220 HB2 GLU 28 HB3 GLU 28 55.671 -18.277 1.558
221 HB3 GLU 28 HB2 GLU 28 54.933 -19.779 1.018
222 HG2 GLU 28 HG3 GLU 28 52.912 -18.023 0.590
223 HG3 GLU 28 HG2 GLU 28 54.322 -17.003 0.298
224 H GLY 29 H GLY 29 55.118 -17.307 4.377
225 HA2 GLY 29 HA3 GLY 29 55.920 -18.122 6.579
226 HA3 GLY 29 HA2 GLY 29 56.629 -19.477 5.692
227 H GLY 30 H GLY 30 56.627 -16.337 4.280
228 HA2 GLY 30 HA3 GLY 30 58.602 -15.429 3.300
229 HA3 GLY 30 HA2 GLY 30 58.467 -14.725 4.894
230 HA PRO 31 HA PRO 31 62.440 -16.229 5.873
231 HB2 PRO 31 HB3 PRO 31 62.235 -16.637 8.535
232 HB3 PRO 31 HB2 PRO 31 62.179 -15.021 7.822
233 HG2 PRO 31 HG3 PRO 31 59.922 -16.763 8.737
234 HG3 PRO 31 HG2 PRO 31 60.158 -15.025 8.976
235 HD2 PRO 31 HD3 PRO 31 58.539 -16.074 7.067
236 HD3 PRO 31 HD2 PRO 31 59.332 -14.525 6.903
237 H SER 32 H SER 32 61.330 -18.278 4.598
238 HA SER 32 HA SER 32 62.521 -20.555 5.708
239 HB2 SER 32 HB3 SER 32 59.643 -20.156 6.350
240 HB3 SER 32 HB2 SER 32 60.143 -21.779 5.874
241 HG SER 32 HG SER 32 60.283 -20.973 8.227
242 H SER 33 H SER 33 59.916 -19.370 3.632
243 HA SER 33 HA SER 33 59.800 -21.514 1.845
244 HB2 SER 33 HB3 SER 33 58.238 -19.480 2.030
245 HB3 SER 33 HB2 SER 33 59.410 -18.643 1.004
246 HG SER 33 HG SER 33 59.108 -20.382 -0.518
247 H GLY 34 H GLY 34 61.976 -18.759 2.005
248 HA2 GLY 34 HA3 GLY 34 64.235 -19.012 1.182
249 HA3 GLY 34 HA2 GLY 34 63.597 -20.032 -0.106
250 H ARG 35 H ARG 35 62.922 -16.756 1.140
251 HA ARG 35 HA ARG 35 63.662 -15.586 -1.393
252 HB2 ARG 35 HB3 ARG 35 61.452 -14.468 -1.693
253 HB3 ARG 35 HB2 ARG 35 61.416 -16.206 -1.950
254 HG2 ARG 35 HG3 ARG 35 60.832 -15.913 0.736
255 HG3 ARG 35 HG2 ARG 35 59.987 -14.582 -0.044
256 HD2 ARG 35 HD3 ARG 35 59.724 -17.523 -0.615
257 HD3 ARG 35 HD2 ARG 35 58.491 -16.429 0.005
258 HE ARG 35 HE ARG 35 58.254 -15.505 -2.147
259 HH11 ARG 35 HH11 ARG 35 60.557 -18.137 -2.088
260 HH12 ARG 35 HH12 ARG 35 60.505 -18.378 -3.801
261 HH21 ARG 35 HH21 ARG 35 58.193 -15.828 -4.395
262 HH22 ARG 35 HH22 ARG 35 59.168 -17.070 -5.108
263 HA PRO 36 HA PRO 36 64.592 -12.220 1.305
264 HB2 PRO 36 HB3 PRO 36 64.859 -10.210 -0.441
265 HB3 PRO 36 HB2 PRO 36 65.990 -11.571 -0.424
266 HG2 PRO 36 HG3 PRO 36 63.643 -11.082 -2.220
267 HG3 PRO 36 HG2 PRO 36 65.275 -11.630 -2.643
268 HD2 PRO 36 HD3 PRO 36 63.151 -13.321 -2.364
269 HD3 PRO 36 HD2 PRO 36 64.832 -13.809 -2.050
270 HA PRO 37 HA PRO 37 60.283 -10.923 2.105
271 HB2 PRO 37 HB3 PRO 37 61.314 -9.292 4.218
272 HB3 PRO 37 HB2 PRO 37 60.437 -10.820 4.349
273 HG2 PRO 37 HG3 PRO 37 63.327 -10.293 4.514
274 HG3 PRO 37 HG2 PRO 37 62.396 -11.660 5.139
275 HD2 PRO 37 HD3 PRO 37 64.063 -11.855 3.008
276 HD3 PRO 37 HD2 PRO 37 62.609 -12.856 3.183
277 HA PRO 38 HA PRO 38 60.332 -6.980 0.107
278 HB2 PRO 38 HB3 PRO 38 57.920 -6.027 0.841
279 HB3 PRO 38 HB2 PRO 38 58.095 -7.379 -0.286
280 HG2 PRO 38 HG3 PRO 38 57.481 -7.429 2.644
281 HG3 PRO 38 HG2 PRO 38 56.741 -8.353 1.329
282 HD2 PRO 38 HD3 PRO 38 58.644 -9.387 2.964
283 HD3 PRO 38 HD2 PRO 38 58.447 -9.892 1.274
284 H SER 39 H SER 39 59.328 -4.609 0.828
285 HA SER 39 HA SER 39 60.410 -3.994 3.489
286 HB2 SER 39 HB3 SER 39 60.923 -2.162 1.160
287 HB3 SER 39 HB2 SER 39 61.751 -2.231 2.715
288 HG SER 39 HG SER 39 63.054 -3.174 1.156
Start of MODEL 3
1 H1 HIS 1 H1 HIS 1 68.088 4.130 3.911
2 H2 HIS 1 H2 HIS 1 67.017 3.226 2.920
3 H3 HIS 1 H3 HIS 1 67.641 4.725 2.366
4 HA HIS 1 HA HIS 1 69.372 2.459 3.046
5 HB2 HIS 1 HB3 HIS 1 67.458 2.169 1.210
6 HB3 HIS 1 HB2 HIS 1 68.616 3.054 0.222
7 HD1 HIS 1 HD1 HIS 1 71.237 1.783 1.124
8 HD2 HIS 1 HD2 HIS 1 67.777 -0.384 0.347
9 HE1 HIS 1 HE1 HIS 1 72.009 -0.554 0.607
10 HE2 HIS 1 HE2 HIS 1 69.892 -1.866 0.223
11 H GLY 2 H GLY 2 69.652 5.309 3.519
12 HA2 GLY 2 HA3 GLY 2 72.219 5.813 2.812
13 HA3 GLY 2 HA2 GLY 2 71.316 6.366 1.410
14 H GLU 3 H GLU 3 69.514 7.924 1.892
15 HA GLU 3 HA GLU 3 70.203 9.658 4.171
16 HB2 GLU 3 HB3 GLU 3 69.620 11.603 2.679
17 HB3 GLU 3 HB2 GLU 3 71.101 10.756 2.257
18 HG2 GLU 3 HG3 GLU 3 69.649 9.447 0.602
19 HG3 GLU 3 HG2 GLU 3 68.454 10.717 0.861
20 H GLY 4 H GLY 4 67.714 8.938 1.727
21 HA2 GLY 4 HA3 GLY 4 65.426 8.851 1.888
22 HA3 GLY 4 HA2 GLY 4 65.652 8.607 3.613
23 H THR 5 H THR 5 63.621 10.167 2.184
24 HA THR 5 HA THR 5 63.779 12.539 3.806
25 HB THR 5 HB THR 5 63.195 13.879 1.562
26 HG1 THR 5 HG1 THR 5 64.591 13.143 -0.091
27 HG21 THR 5 HG21 THR 5 66.082 13.331 2.133
28 HG22 THR 5 HG22 THR 5 65.080 14.276 3.232
29 HG23 THR 5 HG23 THR 5 65.323 14.821 1.574
30 H PHE 6 H PHE 6 62.100 10.910 1.137
31 HA PHE 6 HA PHE 6 59.545 11.944 2.120
32 HB2 PHE 6 HB3 PHE 6 58.642 10.897 0.004
33 HB3 PHE 6 HB2 PHE 6 59.791 12.209 -0.236
34 HD1 PHE 6 HD1 PHE 6 59.226 8.611 -0.533
35 HD2 PHE 6 HD2 PHE 6 61.985 11.791 -1.150
36 HE1 PHE 6 HE1 PHE 6 60.598 7.141 -1.953
37 HE2 PHE 6 HE2 PHE 6 63.361 10.329 -2.571
38 HZ PHE 6 HZ PHE 6 62.667 8.000 -2.974
39 H THR 7 H THR 7 57.991 10.689 3.006
40 HA THR 7 HA THR 7 57.982 7.836 2.824
41 HB THR 7 HB THR 7 58.806 9.120 5.436
42 HG1 THR 7 HG1 THR 7 60.088 7.386 3.614
43 HG21 THR 7 HG21 THR 7 58.117 7.360 6.579
44 HG22 THR 7 HG22 THR 7 58.915 6.259 5.456
45 HG23 THR 7 HG23 THR 7 57.270 6.806 5.135
46 H SER 8 H SER 8 55.900 8.857 2.032
47 HA SER 8 HA SER 8 54.017 9.003 4.286
48 HB2 SER 8 HB3 SER 8 54.421 10.935 2.071
49 HB3 SER 8 HB2 SER 8 52.752 10.586 2.518
50 HG SER 8 HG SER 8 53.511 11.022 4.748
51 H ASP 9 H ASP 9 54.425 8.328 0.818
52 HA ASP 9 HA ASP 9 51.919 6.792 0.901
53 HB2 ASP 9 HB3 ASP 9 53.491 7.587 -1.554
54 HB3 ASP 9 HB2 ASP 9 51.853 6.940 -1.500
55 H LEU 10 H LEU 10 54.546 5.909 1.939
56 HA LEU 10 HA LEU 10 54.538 3.392 0.464
57 HB2 LEU 10 HB3 LEU 10 56.965 3.137 1.107
58 HB3 LEU 10 HB2 LEU 10 56.585 4.235 -0.208
59 HG LEU 10 HG LEU 10 58.347 5.056 1.372
60 HD11 LEU 10 HD11 LEU 10 57.774 7.198 0.955
61 HD12 LEU 10 HD12 LEU 10 56.149 7.005 1.610
62 HD13 LEU 10 HD13 LEU 10 56.517 6.431 -0.015
63 HD21 LEU 10 HD21 LEU 10 56.132 5.658 3.292
64 HD22 LEU 10 HD22 LEU 10 57.875 5.676 3.555
65 HD23 LEU 10 HD23 LEU 10 57.026 4.140 3.390
66 H SER 11 H SER 11 53.410 4.660 2.959
67 HA SER 11 HA SER 11 54.102 2.470 4.756
68 HB2 SER 11 HB3 SER 11 54.993 4.352 5.859
69 HB3 SER 11 HB2 SER 11 53.662 5.380 5.331
70 H LYS 12 H LYS 12 51.733 4.550 3.365
71 HA LYS 12 HA LYS 12 49.572 2.887 4.451
72 HB2 LYS 12 HB3 LYS 12 49.828 5.832 4.017
73 HB3 LYS 12 HB2 LYS 12 48.260 5.052 4.025
74 HG2 LYS 12 HG3 LYS 12 48.274 4.783 6.247
75 HG3 LYS 12 HG2 LYS 12 49.970 4.287 6.234
76 HD2 LYS 12 HD3 LYS 12 49.883 6.313 7.468
77 HD3 LYS 12 HD2 LYS 12 50.565 6.710 5.886
78 HE2 LYS 12 HE2 LYS 12 48.690 7.855 5.217
79 HE3 LYS 12 HE3 LYS 12 47.619 6.931 6.271
80 HZ1 LYS 12 HZ1 LYS 12 48.697 8.105 8.173
81 HZ2 LYS 12 HZ2 LYS 12 47.789 9.105 7.156
82 HZ3 LYS 12 HZ3 LYS 12 49.477 9.106 7.052
83 H GLN 13 H GLN 13 51.177 4.008 1.727
84 HA GLN 13 HA GLN 13 48.882 3.323 0.025
85 HB2 GLN 13 HB3 GLN 13 49.475 5.690 -0.096
86 HB3 GLN 13 HB2 GLN 13 51.114 5.254 -0.546
87 HG2 GLN 13 HG3 GLN 13 50.566 4.896 -2.687
88 HG3 GLN 13 HG2 GLN 13 49.053 4.094 -2.266
89 HE21 GLN 13 HE21 GLN 13 48.888 5.610 -4.379
90 HE22 GLN 13 HE22 GLN 13 48.102 7.124 -4.050
91 H MET 14 H MET 14 52.404 3.104 0.396
92 HA MET 14 HA MET 14 52.326 1.059 -1.738
93 HB2 MET 14 HB3 MET 14 54.298 1.809 -2.459
94 HB3 MET 14 HB2 MET 14 54.225 3.096 -1.273
95 HG2 MET 14 HG3 MET 14 55.425 1.793 0.318
96 HG3 MET 14 HG2 MET 14 55.335 0.359 -0.720
97 HE1 MET 14 HE1 MET 14 57.743 0.853 -3.473
98 HE2 MET 14 HE2 MET 14 56.292 0.079 -2.838
99 HE3 MET 14 HE3 MET 14 57.856 -0.219 -2.076
100 H GLU 15 H GLU 15 52.568 1.645 1.590
101 HA GLU 15 HA GLU 15 53.631 -0.982 2.154
102 HB2 GLU 15 HB3 GLU 15 53.584 1.435 3.561
103 HB3 GLU 15 HB2 GLU 15 52.533 0.352 4.462
104 HG2 GLU 15 HG3 GLU 15 54.346 -1.306 4.516
105 HG3 GLU 15 HG2 GLU 15 55.397 -0.161 3.685
106 H GLU 16 H GLU 16 50.613 0.900 2.107
107 HA GLU 16 HA GLU 16 48.906 -0.842 3.433
108 HB2 GLU 16 HB3 GLU 16 48.627 1.326 1.621
109 HB3 GLU 16 HB2 GLU 16 47.598 0.025 1.040
110 HG2 GLU 16 HG3 GLU 16 46.591 -0.123 3.291
111 HG3 GLU 16 HG2 GLU 16 47.553 1.269 3.778
112 H GLU 17 H GLU 17 50.289 -0.986 0.240
113 HA GLU 17 HA GLU 17 49.028 -3.515 -0.424
114 HB2 GLU 17 HB3 GLU 17 49.709 -3.117 -2.576
115 HB3 GLU 17 HB2 GLU 17 49.638 -1.463 -1.996
116 HG2 GLU 17 HG3 GLU 17 52.084 -1.719 -1.426
117 HG3 GLU 17 HG2 GLU 17 52.051 -3.190 -2.366
118 H DAL 18 H ALA 18 52.096 -2.116 0.511
119 HA DAL 18 HA ALA 18 53.965 -3.027 1.426
120 HB1 DAL 18 HB1 ALA 18 53.453 -4.571 -1.036
121 HB2 DAL 18 HB2 ALA 18 54.624 -5.252 0.092
122 HB3 DAL 18 HB3 ALA 18 54.865 -3.630 -0.557
123 H VAL 19 H VAL 19 51.675 -3.602 2.808
124 HA VAL 19 HA VAL 19 52.452 -5.840 4.370
125 HB VAL 19 HB VAL 19 49.795 -4.389 4.354
126 HG11 VAL 19 HG11 VAL 19 51.051 -6.392 6.172
127 HG12 VAL 19 HG12 VAL 19 49.382 -6.268 5.615
128 HG13 VAL 19 HG13 VAL 19 49.985 -5.159 6.847
129 HG21 VAL 19 HG21 VAL 19 52.201 -3.244 4.841
130 HG22 VAL 19 HG22 VAL 19 51.764 -3.807 6.453
131 HG23 VAL 19 HG23 VAL 19 50.683 -2.723 5.574
132 H ARG 20 H ARG 20 50.167 -5.320 1.758
133 HA ARG 20 HA ARG 20 48.741 -7.750 2.037
134 HB2 ARG 20 HB3 ARG 20 49.191 -6.027 -0.411
135 HB3 ARG 20 HB2 ARG 20 48.048 -7.358 -0.318
136 HG2 ARG 20 HG3 ARG 20 47.287 -5.884 1.822
137 HG3 ARG 20 HG2 ARG 20 47.856 -4.624 0.727
138 HD2 ARG 20 HD3 ARG 20 46.391 -6.231 -0.938
139 HD3 ARG 20 HD2 ARG 20 45.483 -6.327 0.571
140 HE ARG 20 HE ARG 20 45.935 -3.668 0.262
141 HH11 ARG 20 HH11 ARG 20 44.545 -6.133 -1.781
142 HH12 ARG 20 HH12 ARG 20 43.482 -5.034 -2.595
143 HH21 ARG 20 HH21 ARG 20 44.537 -2.223 -0.805
144 HH22 ARG 20 HH22 ARG 20 43.477 -2.815 -2.042
145 H LEU 21 H LEU 21 51.682 -6.814 0.314
146 HA LEU 21 HA LEU 21 51.961 -9.533 -0.733
147 HB2 LEU 21 HB3 LEU 21 53.856 -7.224 -1.065
148 HB3 LEU 21 HB2 LEU 21 53.788 -8.699 -2.020
149 HG LEU 21 HG LEU 21 51.625 -6.612 -1.923
150 HD11 LEU 21 HD11 LEU 21 52.507 -5.605 -3.752
151 HD12 LEU 21 HD12 LEU 21 53.201 -7.104 -4.373
152 HD13 LEU 21 HD13 LEU 21 54.009 -6.231 -3.071
153 HD21 LEU 21 HD21 LEU 21 50.356 -7.947 -3.191
154 HD22 LEU 21 HD22 LEU 21 51.392 -9.245 -2.601
155 HD23 LEU 21 HD23 LEU 21 51.725 -8.491 -4.160
156 H TYR 22 H TYR 22 53.196 -7.475 1.767
157 HA TYR 22 HA TYR 22 55.513 -8.985 2.403
158 HB2 TYR 22 HB3 TYR 22 55.475 -6.803 3.272
159 HB3 TYR 22 HB2 TYR 22 53.821 -6.948 3.818
160 HD1 TYR 22 HD1 TYR 22 56.756 -9.153 4.420
161 HD2 TYR 22 HD2 TYR 22 53.833 -6.539 6.046
162 HE1 TYR 22 HE1 TYR 22 57.527 -9.711 6.685
163 HE2 TYR 22 HE2 TYR 22 54.582 -7.078 8.307
164 HH TYR 22 HH TYR 22 57.474 -8.558 8.990
165 H ILE 23 H ILE 23 52.231 -8.773 3.618
166 HA ILE 23 HA ILE 23 52.447 -10.909 5.454
167 HB ILE 23 HB ILE 23 50.030 -9.746 4.050
168 HG12 ILE 23 HG12 ILE 23 51.385 -8.276 5.616
169 HG13 ILE 23 HG13 ILE 23 49.684 -8.461 6.017
170 HG21 ILE 23 HG21 ILE 23 50.334 -12.001 5.906
171 HG22 ILE 23 HG22 ILE 23 49.077 -11.666 4.714
172 HG23 ILE 23 HG23 ILE 23 49.042 -10.862 6.284
173 HD11 ILE 23 HD11 ILE 23 51.933 -8.927 7.644
174 HD12 ILE 23 HD12 ILE 23 51.166 -10.490 7.353
175 HD13 ILE 23 HD13 ILE 23 50.229 -9.162 8.040
176 H GLN 24 H GLN 24 51.867 -10.605 2.012
177 HA GLN 24 HA GLN 24 50.947 -13.259 1.529
178 HB2 GLN 24 HB3 GLN 24 50.842 -11.310 -0.092
179 HB3 GLN 24 HB2 GLN 24 52.561 -11.533 -0.359
180 HG2 GLN 24 HG3 GLN 24 51.441 -12.619 -2.128
181 HG3 GLN 24 HG2 GLN 24 52.066 -13.878 -1.060
182 HE21 GLN 24 HE21 GLN 24 50.697 -15.504 -1.069
183 HE22 GLN 24 HE22 GLN 24 48.979 -15.392 -0.921
184 H TRP 25 H TRP 25 54.089 -11.661 1.384
185 HA TRP 25 HA TRP 25 55.750 -13.814 0.760
186 HB2 TRP 25 HB3 TRP 25 56.626 -11.568 0.808
187 HB3 TRP 25 HB2 TRP 25 56.183 -11.375 2.502
188 HD1 TRP 25 HD1 TRP 25 58.736 -13.188 0.288
189 HE1 TRP 25 HE1 TRP 25 60.762 -13.803 1.739
190 HE3 TRP 25 HE3 TRP 25 56.921 -11.770 4.833
191 HZ2 TRP 25 HZ2 TRP 25 61.506 -13.678 4.469
192 HZ3 TRP 25 HZ3 TRP 25 58.353 -12.032 6.814
193 HH2 TRP 25 HH2 TRP 25 60.590 -12.984 6.632
194 H LEU 26 H LEU 26 54.111 -12.866 3.660
195 HA LEU 26 HA LEU 26 55.467 -14.795 5.339
196 HB2 LEU 26 HB3 LEU 26 53.439 -12.643 5.732
197 HB3 LEU 26 HB2 LEU 26 53.506 -13.933 6.908
198 HG LEU 26 HG LEU 26 55.574 -11.854 6.298
199 HD11 LEU 26 HD11 LEU 26 53.763 -11.563 8.035
200 HD12 LEU 26 HD12 LEU 26 55.422 -11.372 8.603
201 HD13 LEU 26 HD13 LEU 26 54.543 -12.865 8.933
202 HD21 LEU 26 HD21 LEU 26 56.860 -13.851 6.264
203 HD22 LEU 26 HD22 LEU 26 55.996 -14.507 7.652
204 HD23 LEU 26 HD23 LEU 26 57.071 -13.126 7.856
205 H LYS 27 H LYS 27 52.454 -14.455 3.574
206 HA LYS 27 HA LYS 27 50.843 -16.333 4.776
207 HB2 LYS 27 HB3 LYS 27 51.009 -15.085 2.185
208 HB3 LYS 27 HB2 LYS 27 50.535 -16.766 2.007
209 HG2 LYS 27 HG3 LYS 27 48.528 -16.454 3.003
210 HG3 LYS 27 HG2 LYS 27 49.140 -15.207 4.094
211 HD2 LYS 27 HD3 LYS 27 48.673 -13.534 2.651
212 HD3 LYS 27 HD2 LYS 27 49.136 -14.487 1.239
213 HE2 LYS 27 HE2 LYS 27 47.041 -15.276 0.916
214 HE3 LYS 27 HE3 LYS 27 46.688 -15.350 2.642
215 HZ1 LYS 27 HZ1 LYS 27 46.356 -13.127 0.772
216 HZ2 LYS 27 HZ2 LYS 27 46.757 -12.753 2.371
217 HZ3 LYS 27 HZ3 LYS 27 45.352 -13.633 2.037
218 H GLU 28 H GLU 28 53.689 -16.838 2.842
219 HA GLU 28 HA GLU 28 53.257 -19.728 2.788
220 HB2 GLU 28 HB3 GLU 28 55.672 -18.365 1.648
221 HB3 GLU 28 HB2 GLU 28 54.900 -19.859 1.137
222 HG2 GLU 28 HG3 GLU 28 52.949 -17.934 0.755
223 HG3 GLU 28 HG2 GLU 28 54.444 -17.140 0.263
224 H GLY 29 H GLY 29 55.125 -17.289 4.418
225 HA2 GLY 29 HA3 GLY 29 55.928 -18.041 6.648
226 HA3 GLY 29 HA2 GLY 29 56.638 -19.417 5.797
227 H GLY 30 H GLY 30 56.632 -16.324 4.287
228 HA2 GLY 30 HA3 GLY 30 58.595 -15.427 3.289
229 HA3 GLY 30 HA2 GLY 30 58.481 -14.699 4.874
230 HA PRO 31 HA PRO 31 62.460 -16.221 5.813
231 HB2 PRO 31 HB3 PRO 31 62.308 -16.480 8.494
232 HB3 PRO 31 HB2 PRO 31 62.254 -14.903 7.698
233 HG2 PRO 31 HG3 PRO 31 60.004 -16.559 8.766
234 HG3 PRO 31 HG2 PRO 31 60.259 -14.811 8.887
235 HD2 PRO 31 HD3 PRO 31 58.589 -15.980 7.082
236 HD3 PRO 31 HD2 PRO 31 59.364 -14.435 6.822
237 H SER 32 H SER 32 61.131 -18.317 4.712
238 HA SER 32 HA SER 32 62.299 -20.558 6.029
239 HB2 SER 32 HB3 SER 32 59.301 -20.726 5.780
240 HB3 SER 32 HB2 SER 32 60.392 -21.782 6.678
241 HG SER 32 HG SER 32 60.302 -20.465 8.315
242 H SER 33 H SER 33 59.889 -19.491 3.657
243 HA SER 33 HA SER 33 59.990 -21.713 1.966
244 HB2 SER 33 HB3 SER 33 58.547 -19.412 1.997
245 HB3 SER 33 HB2 SER 33 59.642 -19.091 0.647
246 HG SER 33 HG SER 33 58.768 -20.702 -0.469
247 H GLY 34 H GLY 34 61.474 -18.548 1.235
248 HA2 GLY 34 HA3 GLY 34 64.051 -18.961 0.914
249 HA3 GLY 34 HA2 GLY 34 63.449 -19.936 -0.426
250 H ARG 35 H ARG 35 63.016 -16.665 0.939
251 HA ARG 35 HA ARG 35 63.749 -15.438 -1.541
252 HB2 ARG 35 HB3 ARG 35 61.538 -14.231 -1.790
253 HB3 ARG 35 HB2 ARG 35 61.549 -15.926 -2.256
254 HG2 ARG 35 HG3 ARG 35 60.836 -16.015 0.395
255 HG3 ARG 35 HG2 ARG 35 60.038 -14.560 -0.195
256 HD2 ARG 35 HD3 ARG 35 59.817 -17.329 -1.364
257 HD3 ARG 35 HD2 ARG 35 58.573 -16.476 -0.449
258 HE ARG 35 HE ARG 35 59.004 -14.791 -2.481
259 HH11 ARG 35 HH11 ARG 35 58.470 -18.241 -2.429
260 HH12 ARG 35 HH12 ARG 35 57.721 -18.273 -3.989
261 HH21 ARG 35 HH21 ARG 35 58.022 -14.834 -4.534
262 HH22 ARG 35 HH22 ARG 35 57.468 -16.339 -5.185
263 HA PRO 36 HA PRO 36 64.604 -12.140 1.261
264 HB2 PRO 36 HB3 PRO 36 64.885 -10.072 -0.406
265 HB3 PRO 36 HB2 PRO 36 66.008 -11.438 -0.444
266 HG2 PRO 36 HG3 PRO 36 63.676 -10.856 -2.227
267 HG3 PRO 36 HG2 PRO 36 65.300 -11.416 -2.662
268 HD2 PRO 36 HD3 PRO 36 63.122 -13.067 -2.430
269 HD3 PRO 36 HD2 PRO 36 64.800 -13.604 -2.189
270 HA PRO 37 HA PRO 37 60.311 -10.872 2.130
271 HB2 PRO 37 HB3 PRO 37 61.363 -9.205 4.209
272 HB3 PRO 37 HB2 PRO 37 60.506 -10.742 4.369
273 HG2 PRO 37 HG3 PRO 37 63.393 -10.184 4.470
274 HG3 PRO 37 HG2 PRO 37 62.486 -11.557 5.125
275 HD2 PRO 37 HD3 PRO 37 64.113 -11.757 2.965
276 HD3 PRO 37 HD2 PRO 37 62.667 -12.763 3.172
277 HA PRO 38 HA PRO 38 60.305 -6.946 0.082
278 HB2 PRO 38 HB3 PRO 38 57.828 -6.095 0.690
279 HB3 PRO 38 HB2 PRO 38 58.106 -7.466 -0.393
280 HG2 PRO 38 HG3 PRO 38 57.381 -7.471 2.511
281 HG3 PRO 38 HG2 PRO 38 56.724 -8.455 1.193
282 HD2 PRO 38 HD3 PRO 38 58.614 -9.363 2.926
283 HD3 PRO 38 HD2 PRO 38 58.482 -9.931 1.250
284 H SER 39 H SER 39 59.152 -4.624 0.749
285 HA SER 39 HA SER 39 60.890 -3.542 2.695
286 HB2 SER 39 HB3 SER 39 59.726 -2.379 0.688
287 HB3 SER 39 HB2 SER 39 58.373 -2.160 1.797
288 HG SER 39 HG SER 39 59.455 -0.453 2.380
Start of MODEL 4
1 H1 HIS 1 H1 HIS 1 51.744 22.559 12.151
2 H2 HIS 1 H2 HIS 1 52.672 21.170 12.545
3 H3 HIS 1 H3 HIS 1 51.058 20.997 11.988
4 HA HIS 1 HA HIS 1 51.585 21.640 9.863
5 HB2 HIS 1 HB3 HIS 1 53.160 23.464 10.913
6 HB3 HIS 1 HB2 HIS 1 54.416 22.264 10.624
7 HD1 HIS 1 HD1 HIS 1 55.597 23.515 8.761
8 HD2 HIS 1 HD2 HIS 1 51.551 22.925 8.022
9 HE1 HIS 1 HE1 HIS 1 55.251 24.172 6.359
10 HE2 HIS 1 HE2 HIS 1 52.812 23.724 5.911
11 H GLY 2 H GLY 2 51.359 19.483 9.402
12 HA2 GLY 2 HA3 GLY 2 53.840 17.883 9.535
13 HA3 GLY 2 HA2 GLY 2 52.268 17.190 9.906
14 H GLU 3 H GLU 3 51.473 15.991 8.325
15 HA GLU 3 HA GLU 3 50.991 15.169 6.261
16 HB2 GLU 3 HB3 GLU 3 51.379 18.073 5.526
17 HB3 GLU 3 HB2 GLU 3 50.790 16.857 4.402
18 HG2 GLU 3 HG3 GLU 3 48.872 16.439 5.854
19 HG3 GLU 3 HG2 GLU 3 49.463 17.658 6.982
20 H GLY 4 H GLY 4 51.896 15.163 3.859
21 HA2 GLY 4 HA3 GLY 4 54.845 15.229 4.022
22 HA3 GLY 4 HA2 GLY 4 53.994 13.849 3.350
23 H THR 5 H THR 5 55.896 15.080 1.850
24 HA THR 5 HA THR 5 54.319 16.014 -0.393
25 HB THR 5 HB THR 5 55.991 17.957 -0.707
26 HG1 THR 5 HG1 THR 5 56.770 18.764 1.299
27 HG21 THR 5 HG21 THR 5 53.493 17.958 0.281
28 HG22 THR 5 HG22 THR 5 54.468 19.412 0.065
29 HG23 THR 5 HG23 THR 5 54.374 18.641 1.649
30 H PHE 6 H PHE 6 56.026 13.713 0.321
31 HA PHE 6 HA PHE 6 57.313 13.341 -2.137
32 HB2 PHE 6 HB3 PHE 6 59.660 13.410 -1.510
33 HB3 PHE 6 HB2 PHE 6 58.926 14.984 -1.222
34 HD1 PHE 6 HD1 PHE 6 57.854 15.120 1.278
35 HD2 PHE 6 HD2 PHE 6 61.149 12.714 0.070
36 HE1 PHE 6 HE1 PHE 6 58.665 15.070 3.600
37 HE2 PHE 6 HE2 PHE 6 61.966 12.659 2.390
38 HZ PHE 6 HZ PHE 6 60.721 13.838 4.159
39 H THR 7 H THR 7 57.273 12.517 1.292
40 HA THR 7 HA THR 7 57.128 9.688 0.554
41 HB THR 7 HB THR 7 58.784 10.464 2.926
42 HG1 THR 7 HG1 THR 7 60.616 10.447 1.554
43 HG21 THR 7 HG21 THR 7 60.038 8.418 2.276
44 HG22 THR 7 HG22 THR 7 58.815 8.130 1.035
45 HG23 THR 7 HG23 THR 7 58.359 8.132 2.739
46 H SER 8 H SER 8 55.083 9.295 1.198
47 HA SER 8 HA SER 8 54.498 9.311 4.007
48 HB2 SER 8 HB3 SER 8 53.855 11.645 2.638
49 HB3 SER 8 HB2 SER 8 52.329 10.763 2.717
50 HG SER 8 HG SER 8 52.902 10.494 5.038
51 H ASP 9 H ASP 9 53.386 8.808 0.700
52 HA ASP 9 HA ASP 9 51.264 7.024 1.607
53 HB2 ASP 9 HB3 ASP 9 51.962 8.369 -0.945
54 HB3 ASP 9 HB2 ASP 9 51.172 6.801 -1.081
55 H LEU 10 H LEU 10 53.870 6.208 2.232
56 HA LEU 10 HA LEU 10 53.915 3.731 0.691
57 HB2 LEU 10 HB3 LEU 10 56.376 3.596 1.206
58 HB3 LEU 10 HB2 LEU 10 55.887 4.743 -0.025
59 HG LEU 10 HG LEU 10 57.654 5.614 1.480
60 HD11 LEU 10 HD11 LEU 10 55.445 6.909 0.493
61 HD12 LEU 10 HD12 LEU 10 56.883 7.679 1.160
62 HD13 LEU 10 HD13 LEU 10 55.472 7.406 2.184
63 HD21 LEU 10 HD21 LEU 10 57.352 5.965 3.748
64 HD22 LEU 10 HD22 LEU 10 56.588 4.394 3.502
65 HD23 LEU 10 HD23 LEU 10 55.595 5.845 3.638
66 H SER 11 H SER 11 52.897 4.906 3.326
67 HA SER 11 HA SER 11 53.814 2.702 5.005
68 HB2 SER 11 HB3 SER 11 54.613 4.720 6.017
69 HB3 SER 11 HB2 SER 11 53.069 5.525 5.735
70 H LYS 12 H LYS 12 51.214 4.633 3.820
71 HA LYS 12 HA LYS 12 49.254 2.785 4.988
72 HB2 LYS 12 HB3 LYS 12 49.270 5.745 4.607
73 HB3 LYS 12 HB2 LYS 12 47.761 4.860 4.650
74 HG2 LYS 12 HG3 LYS 12 47.896 4.486 6.863
75 HG3 LYS 12 HG2 LYS 12 49.637 4.206 6.774
76 HD2 LYS 12 HD3 LYS 12 49.190 6.191 8.096
77 HD3 LYS 12 HD2 LYS 12 50.007 6.629 6.594
78 HE2 LYS 12 HE2 LYS 12 47.780 7.168 5.620
79 HE3 LYS 12 HE3 LYS 12 47.066 6.881 7.206
80 HZ1 LYS 12 HZ1 LYS 12 48.824 9.069 6.332
81 HZ2 LYS 12 HZ2 LYS 12 48.820 8.612 7.960
82 HZ3 LYS 12 HZ3 LYS 12 47.389 9.139 7.227
83 H GLN 13 H GLN 13 50.596 4.083 2.195
84 HA GLN 13 HA GLN 13 48.269 3.234 0.614
85 HB2 GLN 13 HB3 GLN 13 48.663 5.638 0.503
86 HB3 GLN 13 HB2 GLN 13 50.304 5.346 -0.041
87 HG2 GLN 13 HG3 GLN 13 49.343 5.722 -2.052
88 HG3 GLN 13 HG2 GLN 13 49.034 3.990 -1.932
89 HE21 GLN 13 HE21 GLN 13 46.931 3.423 -0.855
90 HE22 GLN 13 HE22 GLN 13 45.550 4.385 -1.278
91 H MET 14 H MET 14 51.818 3.284 0.773
92 HA MET 14 HA MET 14 51.763 1.275 -1.397
93 HB2 MET 14 HB3 MET 14 53.627 2.170 -2.221
94 HB3 MET 14 HB2 MET 14 53.521 3.443 -1.021
95 HG2 MET 14 HG3 MET 14 54.914 2.223 0.487
96 HG3 MET 14 HG2 MET 14 54.887 0.801 -0.570
97 HE1 MET 14 HE1 MET 14 57.745 0.719 -0.665
98 HE2 MET 14 HE2 MET 14 57.403 1.859 0.636
99 HE3 MET 14 HE3 MET 14 58.580 2.272 -0.613
100 H GLU 15 H GLU 15 52.107 1.794 1.918
101 HA GLU 15 HA GLU 15 53.415 -0.749 2.361
102 HB2 GLU 15 HB3 GLU 15 53.247 1.629 3.832
103 HB3 GLU 15 HB2 GLU 15 52.348 0.437 4.756
104 HG2 GLU 15 HG3 GLU 15 54.292 -1.056 4.673
105 HG3 GLU 15 HG2 GLU 15 55.194 0.186 3.806
106 H GLU 16 H GLU 16 50.268 0.901 2.520
107 HA GLU 16 HA GLU 16 48.767 -0.994 3.890
108 HB2 GLU 16 HB3 GLU 16 48.234 1.182 2.137
109 HB3 GLU 16 HB2 GLU 16 47.265 -0.184 1.599
110 HG2 GLU 16 HG3 GLU 16 46.404 -0.430 3.897
111 HG3 GLU 16 HG2 GLU 16 47.304 1.012 4.359
112 H GLU 17 H GLU 17 49.995 -0.969 0.629
113 HA GLU 17 HA GLU 17 48.874 -3.560 -0.041
114 HB2 GLU 17 HB3 GLU 17 49.454 -3.084 -2.209
115 HB3 GLU 17 HB2 GLU 17 49.275 -1.453 -1.590
116 HG2 GLU 17 HG3 GLU 17 51.744 -1.504 -1.120
117 HG3 GLU 17 HG2 GLU 17 51.806 -2.977 -2.056
118 H DAL 18 H ALA 18 51.891 -1.996 0.798
119 HA DAL 18 HA ALA 18 53.843 -2.815 1.631
120 HB1 DAL 18 HB1 ALA 18 53.330 -4.315 -0.855
121 HB2 DAL 18 HB2 ALA 18 54.566 -4.978 0.216
122 HB3 DAL 18 HB3 ALA 18 54.717 -3.328 -0.389
123 H VAL 19 H VAL 19 51.652 -3.536 3.075
124 HA VAL 19 HA VAL 19 52.579 -5.799 4.531
125 HB VAL 19 HB VAL 19 49.895 -4.409 4.708
126 HG11 VAL 19 HG11 VAL 19 49.687 -6.425 5.873
127 HG12 VAL 19 HG12 VAL 19 50.108 -5.249 7.118
128 HG13 VAL 19 HG13 VAL 19 51.338 -6.345 6.488
129 HG21 VAL 19 HG21 VAL 19 52.308 -3.228 5.107
130 HG22 VAL 19 HG22 VAL 19 51.947 -3.837 6.724
131 HG23 VAL 19 HG23 VAL 19 50.811 -2.753 5.914
132 H ARG 20 H ARG 20 50.116 -5.209 2.098
133 HA ARG 20 HA ARG 20 48.753 -7.670 2.333
134 HB2 ARG 20 HB3 ARG 20 49.067 -5.841 -0.059
135 HB3 ARG 20 HB2 ARG 20 47.946 -7.193 0.028
136 HG2 ARG 20 HG3 ARG 20 47.798 -5.151 2.170
137 HG3 ARG 20 HG2 ARG 20 47.213 -4.708 0.564
138 HD2 ARG 20 HD3 ARG 20 45.302 -5.572 1.504
139 HD3 ARG 20 HD2 ARG 20 45.964 -7.000 0.715
140 HE ARG 20 HE ARG 20 47.009 -7.065 3.238
141 HH11 ARG 20 HH11 ARG 20 43.781 -6.924 1.914
142 HH12 ARG 20 HH12 ARG 20 43.066 -7.778 3.240
143 HH21 ARG 20 HH21 ARG 20 46.068 -8.188 4.982
144 HH22 ARG 20 HH22 ARG 20 44.363 -8.495 4.981
145 H LEU 21 H LEU 21 51.615 -6.637 0.526
146 HA LEU 21 HA LEU 21 51.856 -9.309 -0.643
147 HB2 LEU 21 HB3 LEU 21 53.656 -6.919 -0.977
148 HB3 LEU 21 HB2 LEU 21 53.706 -8.405 -1.914
149 HG LEU 21 HG LEU 21 51.452 -6.416 -1.870
150 HD11 LEU 21 HD11 LEU 21 53.807 -6.151 -3.160
151 HD12 LEU 21 HD12 LEU 21 52.276 -5.519 -3.772
152 HD13 LEU 21 HD13 LEU 21 52.889 -7.067 -4.356
153 HD21 LEU 21 HD21 LEU 21 50.863 -7.944 -3.948
154 HD22 LEU 21 HD22 LEU 21 50.304 -8.326 -2.321
155 HD23 LEU 21 HD23 LEU 21 51.713 -9.152 -2.985
156 H TYR 22 H TYR 22 53.231 -7.326 1.856
157 HA TYR 22 HA TYR 22 55.556 -8.886 2.331
158 HB2 TYR 22 HB3 TYR 22 55.614 -6.744 3.274
159 HB3 TYR 22 HB2 TYR 22 53.977 -6.858 3.875
160 HD1 TYR 22 HD2 TYR 22 56.855 -9.172 4.305
161 HD2 TYR 22 HD1 TYR 22 54.087 -6.505 6.111
162 HE1 TYR 22 HE2 TYR 22 57.690 -9.818 6.524
163 HE2 TYR 22 HE1 TYR 22 54.899 -7.136 8.329
164 HH TYR 22 HH TYR 22 56.147 -9.404 9.266
165 H ILE 23 H ILE 23 52.316 -8.707 3.650
166 HA ILE 23 HA ILE 23 52.632 -10.903 5.417
167 HB ILE 23 HB ILE 23 50.129 -9.673 4.239
168 HG12 ILE 23 HG12 ILE 23 51.630 -8.258 5.739
169 HG13 ILE 23 HG13 ILE 23 49.956 -8.421 6.247
170 HG21 ILE 23 HG21 ILE 23 49.300 -10.836 6.503
171 HG22 ILE 23 HG22 ILE 23 50.572 -11.962 6.031
172 HG23 ILE 23 HG23 ILE 23 49.240 -11.622 4.926
173 HD11 ILE 23 HD11 ILE 23 50.682 -10.205 7.820
174 HD12 ILE 23 HD12 ILE 23 51.363 -8.615 8.162
175 HD13 ILE 23 HD13 ILE 23 52.350 -9.847 7.375
176 H GLN 24 H GLN 24 51.837 -10.447 2.035
177 HA GLN 24 HA GLN 24 50.831 -13.061 1.510
178 HB2 GLN 24 HB3 GLN 24 50.562 -11.195 -0.079
179 HB3 GLN 24 HB2 GLN 24 52.298 -11.148 -0.323
180 HG2 GLN 24 HG3 GLN 24 50.807 -13.670 -0.856
181 HG3 GLN 24 HG2 GLN 24 50.766 -12.356 -2.034
182 HE21 GLN 24 HE21 GLN 24 52.601 -14.898 -0.664
183 HE22 GLN 24 HE22 GLN 24 54.012 -14.714 -1.645
184 H TRP 25 H TRP 25 53.987 -11.518 1.311
185 HA TRP 25 HA TRP 25 55.578 -13.654 0.484
186 HB2 TRP 25 HB3 TRP 25 56.528 -11.456 0.606
187 HB3 TRP 25 HB2 TRP 25 56.106 -11.303 2.310
188 HD1 TRP 25 HD1 TRP 25 58.540 -13.202 0.033
189 HE1 TRP 25 HE1 TRP 25 60.587 -13.869 1.429
190 HE3 TRP 25 HE3 TRP 25 56.925 -11.657 4.613
191 HZ2 TRP 25 HZ2 TRP 25 61.423 -13.732 4.130
192 HZ3 TRP 25 HZ3 TRP 25 58.409 -11.935 6.546
193 HH2 TRP 25 HH2 TRP 25 60.601 -12.974 6.312
194 H LEU 26 H LEU 26 54.160 -12.796 3.539
195 HA LEU 26 HA LEU 26 55.530 -14.852 5.026
196 HB2 LEU 26 HB3 LEU 26 53.630 -12.651 5.614
197 HB3 LEU 26 HB2 LEU 26 53.577 -14.029 6.683
198 HG LEU 26 HG LEU 26 55.682 -11.962 6.373
199 HD11 LEU 26 HD11 LEU 26 54.790 -13.545 8.769
200 HD12 LEU 26 HD12 LEU 26 53.986 -12.070 8.225
201 HD13 LEU 26 HD13 LEU 26 55.672 -12.017 8.743
202 HD21 LEU 26 HD21 LEU 26 56.957 -13.924 5.834
203 HD22 LEU 26 HD22 LEU 26 56.242 -14.810 7.177
204 HD23 LEU 26 HD23 LEU 26 57.318 -13.451 7.492
205 H LYS 27 H LYS 27 52.451 -14.381 3.417
206 HA LYS 27 HA LYS 27 50.875 -16.311 4.594
207 HB2 LYS 27 HB3 LYS 27 50.910 -14.886 2.098
208 HB3 LYS 27 HB2 LYS 27 50.435 -16.554 1.810
209 HG2 LYS 27 HG3 LYS 27 48.401 -15.608 2.215
210 HG3 LYS 27 HG2 LYS 27 48.839 -16.121 3.847
211 HD2 LYS 27 HD3 LYS 27 49.637 -13.879 4.356
212 HD3 LYS 27 HD2 LYS 27 49.268 -13.358 2.710
213 HE2 LYS 27 HE2 LYS 27 47.166 -14.509 4.518
214 HE3 LYS 27 HE3 LYS 27 47.577 -12.795 4.548
215 HZ1 LYS 27 HZ1 LYS 27 46.590 -12.433 2.575
216 HZ2 LYS 27 HZ2 LYS 27 45.716 -13.829 2.960
217 HZ3 LYS 27 HZ3 LYS 27 47.051 -13.925 1.926
218 H GLU 28 H GLU 28 53.513 -16.726 2.328
219 HA GLU 28 HA GLU 28 53.054 -19.584 2.113
220 HB2 GLU 28 HB3 GLU 28 55.168 -19.489 0.716
221 HB3 GLU 28 HB2 GLU 28 53.793 -18.585 0.098
222 HG2 GLU 28 HG3 GLU 28 54.737 -16.527 0.680
223 HG3 GLU 28 HG2 GLU 28 55.918 -17.276 1.755
224 H GLY 29 H GLY 29 55.077 -17.356 3.885
225 HA2 GLY 29 HA3 GLY 29 55.785 -18.555 6.045
226 HA3 GLY 29 HA2 GLY 29 56.671 -19.598 4.928
227 H GLY 30 H GLY 30 56.730 -16.699 3.473
228 HA2 GLY 30 HA3 GLY 30 58.541 -15.336 3.037
229 HA3 GLY 30 HA2 GLY 30 58.237 -14.877 4.693
230 HA PRO 31 HA PRO 31 62.333 -16.232 5.518
231 HB2 PRO 31 HB3 PRO 31 62.280 -16.026 8.194
232 HB3 PRO 31 HB2 PRO 31 62.192 -14.602 7.151
233 HG2 PRO 31 HG3 PRO 31 60.011 -16.009 8.625
234 HG3 PRO 31 HG2 PRO 31 60.243 -14.276 8.350
235 HD2 PRO 31 HD3 PRO 31 58.535 -15.896 6.903
236 HD3 PRO 31 HD2 PRO 31 59.140 -14.353 6.368
237 H SER 32 H SER 32 60.702 -18.428 4.913
238 HA SER 32 HA SER 32 61.937 -20.453 6.541
239 HB2 SER 32 HB3 SER 32 59.025 -19.841 6.760
240 HB3 SER 32 HB2 SER 32 59.517 -21.535 6.776
241 HG SER 32 HG SER 32 59.534 -20.811 8.875
242 H SER 33 H SER 33 61.813 -19.525 3.730
243 HA SER 33 HA SER 33 61.688 -22.093 2.493
244 HB2 SER 33 HB3 SER 33 59.262 -20.691 2.573
245 HB3 SER 33 HB2 SER 33 59.887 -20.430 0.941
246 HG SER 33 HG SER 33 60.153 -22.745 0.824
247 H GLY 34 H GLY 34 63.536 -19.840 2.854
248 HA2 GLY 34 HA3 GLY 34 65.059 -18.603 1.655
249 HA3 GLY 34 HA2 GLY 34 64.853 -19.848 0.424
250 H ARG 35 H ARG 35 63.199 -16.951 1.686
251 HA ARG 35 HA ARG 35 62.820 -16.051 -1.067
252 HB2 ARG 35 HB3 ARG 35 60.776 -17.317 0.022
253 HB3 ARG 35 HB2 ARG 35 60.519 -15.770 0.816
254 HG2 ARG 35 HG3 ARG 35 59.338 -15.228 -0.989
255 HG3 ARG 35 HG2 ARG 35 60.894 -15.040 -1.799
256 HD2 ARG 35 HD3 ARG 35 60.736 -17.082 -2.861
257 HD3 ARG 35 HD2 ARG 35 59.630 -17.740 -1.657
258 HE ARG 35 HE ARG 35 57.869 -16.881 -2.847
259 HH11 ARG 35 HH11 ARG 35 60.833 -15.444 -4.002
260 HH12 ARG 35 HH12 ARG 35 60.079 -14.674 -5.358
261 HH21 ARG 35 HH21 ARG 35 56.876 -15.868 -4.629
262 HH22 ARG 35 HH22 ARG 35 57.832 -14.914 -5.714
263 HA PRO 36 HA PRO 36 64.425 -12.398 1.034
264 HB2 PRO 36 HB3 PRO 36 63.787 -11.173 -1.590
265 HB3 PRO 36 HB2 PRO 36 65.305 -11.171 -0.687
266 HG2 PRO 36 HG3 PRO 36 65.011 -12.682 -2.864
267 HG3 PRO 36 HG2 PRO 36 65.920 -13.268 -1.459
268 HD2 PRO 36 HD3 PRO 36 63.134 -13.931 -2.324
269 HD3 PRO 36 HD2 PRO 36 64.390 -15.000 -1.663
270 HA PRO 37 HA PRO 37 60.317 -10.848 1.993
271 HB2 PRO 37 HB3 PRO 37 61.548 -9.099 3.935
272 HB3 PRO 37 HB2 PRO 37 60.541 -10.523 4.210
273 HG2 PRO 37 HG3 PRO 37 63.258 -10.345 4.738
274 HG3 PRO 37 HG2 PRO 37 62.339 -11.847 4.579
275 HD2 PRO 37 HD3 PRO 37 64.209 -10.572 2.683
276 HD3 PRO 37 HD2 PRO 37 63.749 -12.276 2.846
277 HA PRO 38 HA PRO 38 60.250 -7.098 -0.359
278 HB2 PRO 38 HB3 PRO 38 57.925 -6.026 0.584
279 HB3 PRO 38 HB2 PRO 38 57.987 -7.356 -0.578
280 HG2 PRO 38 HG3 PRO 38 57.562 -7.443 2.383
281 HG3 PRO 38 HG2 PRO 38 56.738 -8.351 1.103
282 HD2 PRO 38 HD3 PRO 38 58.685 -9.447 2.607
283 HD3 PRO 38 HD2 PRO 38 58.455 -9.878 0.901
284 H SER 39 H SER 39 59.336 -4.656 0.293
285 HA SER 39 HA SER 39 60.503 -3.868 2.848
286 HB2 SER 39 HB3 SER 39 62.387 -3.721 1.307
287 HB3 SER 39 HB2 SER 39 61.428 -2.751 0.190
288 HG SER 39 HG SER 39 61.843 -1.053 1.351
Start of MODEL 5
1 H1 HIS 1 H1 HIS 1 58.143 15.879 12.933
2 H2 HIS 1 H2 HIS 1 56.852 16.020 14.054
3 H3 HIS 1 H3 HIS 1 56.522 15.878 12.376
4 HA HIS 1 HA HIS 1 57.514 13.861 14.252
5 HB2 HIS 1 HB3 HIS 1 55.067 14.471 12.763
6 HB3 HIS 1 HB2 HIS 1 55.596 12.804 12.564
7 HD1 HIS 1 HD1 HIS 1 56.715 12.469 15.497
8 HD2 HIS 1 HD2 HIS 1 52.972 13.956 14.474
9 HE1 HIS 1 HE1 HIS 1 55.268 12.095 17.519
10 HE2 HIS 1 HE2 HIS 1 52.985 12.921 16.845
11 H GLY 2 H GLY 2 56.851 14.323 10.769
12 HA2 GLY 2 HA3 GLY 2 59.377 13.082 10.087
13 HA3 GLY 2 HA2 GLY 2 57.962 12.122 9.675
14 H GLU 3 H GLU 3 59.756 15.041 9.001
15 HA GLU 3 HA GLU 3 57.972 15.812 6.846
16 HB2 GLU 3 HB3 GLU 3 60.362 17.006 8.167
17 HB3 GLU 3 HB2 GLU 3 59.997 17.503 6.520
18 HG2 GLU 3 HG3 GLU 3 58.681 19.031 7.455
19 HG3 GLU 3 HG2 GLU 3 57.559 17.701 7.740
20 H GLY 4 H GLY 4 58.575 15.927 4.649
21 HA2 GLY 4 HA3 GLY 4 60.911 15.337 3.408
22 HA3 GLY 4 HA2 GLY 4 60.280 13.749 3.820
23 H THR 5 H THR 5 60.365 16.107 1.485
24 HA THR 5 HA THR 5 57.775 15.384 0.329
25 HB THR 5 HB THR 5 58.766 17.172 -1.423
26 HG1 THR 5 HG1 THR 5 60.550 17.925 -0.607
27 HG21 THR 5 HG21 THR 5 57.861 18.890 0.507
28 HG22 THR 5 HG22 THR 5 57.062 17.373 0.920
29 HG23 THR 5 HG23 THR 5 56.869 18.062 -0.692
30 H PHE 6 H PHE 6 58.680 13.179 -0.026
31 HA PHE 6 HA PHE 6 59.297 12.781 -2.733
32 HB2 PHE 6 HB3 PHE 6 61.613 11.740 -2.327
33 HB3 PHE 6 HB2 PHE 6 61.512 13.496 -2.400
34 HD1 PHE 6 HD1 PHE 6 61.987 10.601 -0.201
35 HD2 PHE 6 HD2 PHE 6 61.938 14.846 -0.470
36 HE1 PHE 6 HE1 PHE 6 63.061 10.748 2.007
37 HE2 PHE 6 HE2 PHE 6 63.013 15.003 1.738
38 HZ PHE 6 HZ PHE 6 63.577 12.952 2.980
39 H THR 7 H THR 7 59.588 11.501 0.543
40 HA THR 7 HA THR 7 58.476 8.958 -0.436
41 HB THR 7 HB THR 7 59.824 7.911 1.499
42 HG1 THR 7 HG1 THR 7 61.214 9.129 2.474
43 HG21 THR 7 HG21 THR 7 61.915 7.782 0.154
44 HG22 THR 7 HG22 THR 7 61.194 8.934 -0.970
45 HG23 THR 7 HG23 THR 7 60.446 7.356 -0.721
46 H SER 8 H SER 8 56.575 8.552 0.452
47 HA SER 8 HA SER 8 56.084 8.773 3.242
48 HB2 SER 8 HB3 SER 8 54.462 10.538 3.286
49 HB3 SER 8 HB2 SER 8 55.906 11.179 2.503
50 HG SER 8 HG SER 8 54.349 11.765 1.139
51 H ASP 9 H ASP 9 54.864 8.320 -0.012
52 HA ASP 9 HA ASP 9 52.508 6.905 0.968
53 HB2 ASP 9 HB3 ASP 9 52.036 6.665 -1.528
54 HB3 ASP 9 HB2 ASP 9 52.025 8.305 -0.890
55 H LEU 10 H LEU 10 55.021 5.772 1.581
56 HA LEU 10 HA LEU 10 54.687 3.252 0.145
57 HB2 LEU 10 HB3 LEU 10 57.107 2.791 0.617
58 HB3 LEU 10 HB2 LEU 10 56.769 3.983 -0.624
59 HG LEU 10 HG LEU 10 58.669 4.586 0.867
60 HD11 LEU 10 HD11 LEU 10 56.738 6.186 -0.198
61 HD12 LEU 10 HD12 LEU 10 58.243 6.750 0.528
62 HD13 LEU 10 HD13 LEU 10 56.763 6.710 1.486
63 HD21 LEU 10 HD21 LEU 10 57.641 3.619 2.932
64 HD22 LEU 10 HD22 LEU 10 56.569 5.019 2.979
65 HD23 LEU 10 HD23 LEU 10 58.311 5.238 3.129
66 H SER 11 H SER 11 53.892 4.651 2.761
67 HA SER 11 HA SER 11 54.543 2.396 4.500
68 HB2 SER 11 HB3 SER 11 55.609 4.302 5.448
69 HB3 SER 11 HB2 SER 11 54.210 5.319 5.114
70 H LYS 12 H LYS 12 52.173 4.559 3.252
71 HA LYS 12 HA LYS 12 50.034 3.033 4.569
72 HB2 LYS 12 HB3 LYS 12 50.424 5.940 4.053
73 HB3 LYS 12 HB2 LYS 12 48.806 5.274 4.110
74 HG2 LYS 12 HG3 LYS 12 48.869 4.988 6.335
75 HG3 LYS 12 HG2 LYS 12 50.545 4.433 6.276
76 HD2 LYS 12 HD3 LYS 12 50.460 6.497 7.517
77 HD3 LYS 12 HD2 LYS 12 51.273 6.780 5.975
78 HE2 LYS 12 HE2 LYS 12 49.150 7.646 5.056
79 HE3 LYS 12 HE3 LYS 12 48.404 7.433 6.638
80 HZ1 LYS 12 HZ1 LYS 12 49.735 9.097 7.564
81 HZ2 LYS 12 HZ2 LYS 12 49.265 9.730 6.068
82 HZ3 LYS 12 HZ3 LYS 12 50.820 9.097 6.267
83 H GLN 13 H GLN 13 51.419 4.091 1.682
84 HA GLN 13 HA GLN 13 48.978 3.417 0.195
85 HB2 GLN 13 HB3 GLN 13 49.656 5.746 -0.047
86 HB3 GLN 13 HB2 GLN 13 51.235 5.227 -0.604
87 HG2 GLN 13 HG3 GLN 13 50.519 5.020 -2.689
88 HG3 GLN 13 HG2 GLN 13 49.159 4.019 -2.182
89 HE21 GLN 13 HE21 GLN 13 50.247 7.376 -2.370
90 HE22 GLN 13 HE22 GLN 13 48.675 8.055 -2.661
91 H MET 14 H MET 14 52.507 3.043 0.298
92 HA MET 14 HA MET 14 52.167 0.968 -1.779
93 HB2 MET 14 HB3 MET 14 54.113 1.586 -2.664
94 HB3 MET 14 HB2 MET 14 54.183 2.914 -1.522
95 HG2 MET 14 HG3 MET 14 55.438 1.595 0.025
96 HG3 MET 14 HG2 MET 14 55.224 0.146 -0.973
97 HE1 MET 14 HE1 MET 14 56.369 -0.472 -2.909
98 HE2 MET 14 HE2 MET 14 57.732 0.331 -3.688
99 HE3 MET 14 HE3 MET 14 56.087 0.878 -4.008
100 H GLU 15 H GLU 15 52.691 1.586 1.512
101 HA GLU 15 HA GLU 15 53.672 -1.081 2.043
102 HB2 GLU 15 HB3 GLU 15 53.790 1.350 3.428
103 HB3 GLU 15 HB2 GLU 15 52.755 0.309 4.395
104 HG2 GLU 15 HG3 GLU 15 54.508 -1.405 4.376
105 HG3 GLU 15 HG2 GLU 15 55.549 -0.319 3.461
106 H GLU 16 H GLU 16 50.733 0.922 2.142
107 HA GLU 16 HA GLU 16 49.035 -0.753 3.572
108 HB2 GLU 16 HB3 GLU 16 48.748 1.429 1.770
109 HB3 GLU 16 HB2 GLU 16 47.628 0.172 1.261
110 HG2 GLU 16 HG3 GLU 16 46.749 0.080 3.564
111 HG3 GLU 16 HG2 GLU 16 47.808 1.423 3.989
112 H GLU 17 H GLU 17 50.259 -0.947 0.320
113 HA GLU 17 HA GLU 17 48.868 -3.429 -0.278
114 HB2 GLU 17 HB3 GLU 17 49.383 -3.020 -2.464
115 HB3 GLU 17 HB2 GLU 17 49.471 -1.372 -1.874
116 HG2 GLU 17 HG3 GLU 17 51.938 -1.802 -1.512
117 HG3 GLU 17 HG2 GLU 17 51.723 -3.256 -2.459
118 H DAL 18 H ALA 18 52.028 -2.124 0.471
119 HA DAL 18 HA ALA 18 53.931 -3.082 1.255
120 HB1 DAL 18 HB1 ALA 18 54.414 -5.353 -0.086
121 HB2 DAL 18 HB2 ALA 18 54.680 -3.749 -0.767
122 HB3 DAL 18 HB3 ALA 18 53.201 -4.632 -1.145
123 H VAL 19 H VAL 19 51.635 -3.604 2.736
124 HA VAL 19 HA VAL 19 52.473 -5.788 4.340
125 HB VAL 19 HB VAL 19 49.860 -4.259 4.339
126 HG11 VAL 19 HG11 VAL 19 50.918 -6.429 6.071
127 HG12 VAL 19 HG12 VAL 19 49.261 -6.083 5.575
128 HG13 VAL 19 HG13 VAL 19 50.025 -5.113 6.835
129 HG21 VAL 19 HG21 VAL 19 51.230 -3.499 6.559
130 HG22 VAL 19 HG22 VAL 19 51.216 -2.611 5.034
131 HG23 VAL 19 HG23 VAL 19 52.538 -3.723 5.400
132 H ARG 20 H ARG 20 50.126 -5.362 1.773
133 HA ARG 20 HA ARG 20 48.724 -7.794 2.156
134 HB2 ARG 20 HB3 ARG 20 49.091 -6.199 -0.390
135 HB3 ARG 20 HB2 ARG 20 47.880 -7.444 -0.120
136 HG2 ARG 20 HG3 ARG 20 47.134 -5.939 1.852
137 HG3 ARG 20 HG2 ARG 20 48.034 -4.682 1.002
138 HD2 ARG 20 HD3 ARG 20 46.613 -5.710 -1.040
139 HD3 ARG 20 HD2 ARG 20 45.501 -6.019 0.294
140 HE ARG 20 HE ARG 20 46.048 -3.512 -0.911
141 HH11 ARG 20 HH11 ARG 20 45.358 -4.987 2.175
142 HH12 ARG 20 HH12 ARG 20 44.651 -3.554 2.843
143 HH21 ARG 20 HH21 ARG 20 45.117 -1.627 -0.037
144 HH22 ARG 20 HH22 ARG 20 44.513 -1.647 1.588
145 H LEU 21 H LEU 21 51.579 -6.858 0.299
146 HA LEU 21 HA LEU 21 51.878 -9.576 -0.729
147 HB2 LEU 21 HB3 LEU 21 53.806 -7.297 -1.056
148 HB3 LEU 21 HB2 LEU 21 53.638 -8.726 -2.065
149 HG LEU 21 HG LEU 21 51.599 -6.532 -1.809
150 HD11 LEU 21 HD11 LEU 21 52.448 -5.549 -3.673
151 HD12 LEU 21 HD12 LEU 21 53.039 -7.072 -4.336
152 HD13 LEU 21 HD13 LEU 21 53.941 -6.258 -3.058
153 HD21 LEU 21 HD21 LEU 21 51.677 -9.115 -3.304
154 HD22 LEU 21 HD22 LEU 21 50.798 -7.738 -3.970
155 HD23 LEU 21 HD23 LEU 21 50.357 -8.385 -2.388
156 H TYR 22 H TYR 22 53.140 -7.492 1.742
157 HA TYR 22 HA TYR 22 55.470 -8.977 2.371
158 HB2 TYR 22 HB3 TYR 22 55.392 -6.782 3.216
159 HB3 TYR 22 HB2 TYR 22 53.755 -6.967 3.799
160 HD1 TYR 22 HD2 TYR 22 56.750 -9.098 4.343
161 HD2 TYR 22 HD1 TYR 22 53.813 -6.537 6.022
162 HE1 TYR 22 HE2 TYR 22 57.590 -9.623 6.590
163 HE2 TYR 22 HE1 TYR 22 54.628 -7.045 8.267
164 HH TYR 22 HH TYR 22 56.563 -9.602 8.993
165 H ILE 23 H ILE 23 52.192 -8.810 3.612
166 HA ILE 23 HA ILE 23 52.472 -10.946 5.445
167 HB ILE 23 HB ILE 23 50.013 -9.810 4.096
168 HG12 ILE 23 HG12 ILE 23 51.370 -8.324 5.639
169 HG13 ILE 23 HG13 ILE 23 49.685 -8.552 6.089
170 HG21 ILE 23 HG21 ILE 23 49.114 -11.759 4.764
171 HG22 ILE 23 HG22 ILE 23 49.078 -10.953 6.333
172 HG23 ILE 23 HG23 ILE 23 50.390 -12.065 5.941
173 HD11 ILE 23 HD11 ILE 23 50.975 -8.672 8.068
174 HD12 ILE 23 HD12 ILE 23 52.112 -9.804 7.334
175 HD13 ILE 23 HD13 ILE 23 50.461 -10.317 7.690
176 H GLN 24 H GLN 24 51.832 -10.630 2.020
177 HA GLN 24 HA GLN 24 50.932 -13.289 1.536
178 HB2 GLN 24 HB3 GLN 24 50.794 -11.340 -0.077
179 HB3 GLN 24 HB2 GLN 24 52.512 -11.543 -0.361
180 HG2 GLN 24 HG3 GLN 24 51.392 -12.636 -2.124
181 HG3 GLN 24 HG2 GLN 24 52.031 -13.893 -1.063
182 HE21 GLN 24 HE21 GLN 24 50.691 -15.458 -0.540
183 HE22 GLN 24 HE22 GLN 24 48.966 -15.382 -0.588
184 H TRP 25 H TRP 25 54.060 -11.668 1.412
185 HA TRP 25 HA TRP 25 55.729 -13.806 0.749
186 HB2 TRP 25 HB3 TRP 25 56.597 -11.553 0.808
187 HB3 TRP 25 HB2 TRP 25 56.168 -11.382 2.510
188 HD1 TRP 25 HD1 TRP 25 58.701 -13.174 0.250
189 HE1 TRP 25 HE1 TRP 25 60.742 -13.799 1.675
190 HE3 TRP 25 HE3 TRP 25 56.938 -11.786 4.827
191 HZ2 TRP 25 HZ2 TRP 25 61.517 -13.696 4.396
192 HZ3 TRP 25 HZ3 TRP 25 58.390 -12.068 6.790
193 HH2 TRP 25 HH2 TRP 25 60.622 -13.020 6.578
194 H LEU 26 H LEU 26 54.129 -12.866 3.677
195 HA LEU 26 HA LEU 26 55.498 -14.799 5.336
196 HB2 LEU 26 HB3 LEU 26 53.441 -12.674 5.741
197 HB3 LEU 26 HB2 LEU 26 53.535 -13.966 6.915
198 HG LEU 26 HG LEU 26 55.582 -11.867 6.286
199 HD11 LEU 26 HD11 LEU 26 55.402 -11.328 8.570
200 HD12 LEU 26 HD12 LEU 26 54.563 -12.837 8.940
201 HD13 LEU 26 HD13 LEU 26 53.746 -11.577 8.013
202 HD21 LEU 26 HD21 LEU 26 57.082 -13.105 7.867
203 HD22 LEU 26 HD22 LEU 26 56.876 -13.864 6.290
204 HD23 LEU 26 HD23 LEU 26 56.011 -14.493 7.690
205 H LYS 27 H LYS 27 52.495 -14.491 3.555
206 HA LYS 27 HA LYS 27 50.869 -16.354 4.743
207 HB2 LYS 27 HB3 LYS 27 50.950 -15.027 2.279
208 HB3 LYS 27 HB2 LYS 27 50.831 -16.733 1.873
209 HG2 LYS 27 HG3 LYS 27 48.671 -16.723 2.338
210 HG3 LYS 27 HG2 LYS 27 48.999 -16.170 3.981
211 HD2 LYS 27 HD3 LYS 27 48.540 -14.001 3.484
212 HD3 LYS 27 HD2 LYS 27 49.155 -14.137 1.834
213 HE2 LYS 27 HE2 LYS 27 47.156 -14.832 1.000
214 HE3 LYS 27 HE3 LYS 27 46.696 -15.653 2.491
215 HZ1 LYS 27 HZ1 LYS 27 45.274 -13.842 2.379
216 HZ2 LYS 27 HZ2 LYS 27 46.473 -12.787 1.825
217 HZ3 LYS 27 HZ3 LYS 27 46.482 -13.303 3.435
218 H GLU 28 H GLU 28 53.700 -16.918 2.768
219 HA GLU 28 HA GLU 28 53.280 -19.806 2.829
220 HB2 GLU 28 HB3 GLU 28 55.742 -18.575 1.672
221 HB3 GLU 28 HB2 GLU 28 54.840 -19.986 1.137
222 HG2 GLU 28 HG3 GLU 28 53.054 -17.932 0.757
223 HG3 GLU 28 HG2 GLU 28 54.603 -17.198 0.347
224 H GLY 29 H GLY 29 55.143 -17.323 4.394
225 HA2 GLY 29 HA3 GLY 29 55.953 -18.004 6.639
226 HA3 GLY 29 HA2 GLY 29 56.654 -19.412 5.833
227 H GLY 30 H GLY 30 56.621 -16.308 4.310
228 HA2 GLY 30 HA3 GLY 30 58.569 -15.440 3.243
229 HA3 GLY 30 HA2 GLY 30 58.498 -14.701 4.827
230 HA PRO 31 HA PRO 31 62.481 -16.255 5.696
231 HB2 PRO 31 HB3 PRO 31 62.367 -16.557 8.376
232 HB3 PRO 31 HB2 PRO 31 62.313 -14.967 7.602
233 HG2 PRO 31 HG3 PRO 31 60.068 -16.618 8.687
234 HG3 PRO 31 HG2 PRO 31 60.337 -14.873 8.818
235 HD2 PRO 31 HD3 PRO 31 58.631 -16.020 7.030
236 HD3 PRO 31 HD2 PRO 31 59.407 -14.476 6.774
237 H SER 32 H SER 32 60.977 -18.334 4.644
238 HA SER 32 HA SER 32 62.309 -20.604 5.559
239 HB2 SER 32 HB3 SER 32 60.794 -20.362 7.525
240 HB3 SER 32 HB2 SER 32 59.412 -20.535 6.443
241 HG SER 32 HG SER 32 60.152 -22.615 5.922
242 H SER 33 H SER 33 61.602 -19.304 3.115
243 HA SER 33 HA SER 33 60.264 -21.546 1.771
244 HB2 SER 33 HB3 SER 33 58.576 -19.822 1.905
245 HB3 SER 33 HB2 SER 33 59.711 -18.606 1.307
246 HG SER 33 HG SER 33 58.100 -19.799 -0.183
247 H GLY 34 H GLY 34 62.336 -18.688 1.444
248 HA2 GLY 34 HA3 GLY 34 64.532 -19.465 0.330
249 HA3 GLY 34 HA2 GLY 34 63.460 -19.845 -1.018
250 H ARG 35 H ARG 35 62.072 -17.206 0.283
251 HA ARG 35 HA ARG 35 63.693 -15.365 -1.347
252 HB2 ARG 35 HB3 ARG 35 61.590 -14.116 -1.779
253 HB3 ARG 35 HB2 ARG 35 61.564 -15.748 -2.430
254 HG2 ARG 35 HG3 ARG 35 60.435 -16.221 -0.056
255 HG3 ARG 35 HG2 ARG 35 59.967 -14.537 -0.268
256 HD2 ARG 35 HD3 ARG 35 58.215 -15.788 -1.212
257 HD3 ARG 35 HD2 ARG 35 59.160 -15.201 -2.579
258 HE ARG 35 HE ARG 35 59.990 -17.796 -1.721
259 HH11 ARG 35 HH11 ARG 35 57.611 -16.086 -3.618
260 HH12 ARG 35 HH12 ARG 35 57.283 -17.435 -4.653
261 HH21 ARG 35 HH21 ARG 35 59.561 -19.572 -3.082
262 HH22 ARG 35 HH22 ARG 35 58.389 -19.415 -4.348
263 HA PRO 36 HA PRO 36 63.884 -12.794 2.243
264 HB2 PRO 36 HB3 PRO 36 64.517 -10.436 1.155
265 HB3 PRO 36 HB2 PRO 36 65.617 -11.816 1.052
266 HG2 PRO 36 HG3 PRO 36 63.822 -10.662 -1.024
267 HG3 PRO 36 HG2 PRO 36 65.424 -11.397 -1.203
268 HD2 PRO 36 HD3 PRO 36 62.957 -12.651 -1.676
269 HD3 PRO 36 HD2 PRO 36 64.531 -13.459 -1.523
270 HA PRO 37 HA PRO 37 60.143 -10.507 2.800
271 HB2 PRO 37 HB3 PRO 37 61.198 -8.605 4.631
272 HB3 PRO 37 HB2 PRO 37 60.432 -10.152 5.009
273 HG2 PRO 37 HG3 PRO 37 63.120 -9.516 5.425
274 HG3 PRO 37 HG2 PRO 37 62.425 -11.143 5.424
275 HD2 PRO 37 HD3 PRO 37 63.930 -9.722 3.281
276 HD3 PRO 37 HD2 PRO 37 63.893 -11.452 3.684
277 HA PRO 38 HA PRO 38 60.242 -6.976 0.090
278 HB2 PRO 38 HB3 PRO 38 57.716 -6.076 0.530
279 HB3 PRO 38 HB2 PRO 38 58.077 -7.494 -0.463
280 HG2 PRO 38 HG3 PRO 38 57.178 -7.361 2.389
281 HG3 PRO 38 HG2 PRO 38 56.639 -8.443 1.094
282 HD2 PRO 38 HD3 PRO 38 58.402 -9.220 2.984
283 HD3 PRO 38 HD2 PRO 38 58.465 -9.831 1.318
284 H SER 39 H SER 39 59.059 -4.595 0.389
285 HA SER 39 HA SER 39 59.338 -2.541 1.326
286 HB2 SER 39 HB3 SER 39 58.636 -2.283 3.554
287 HB3 SER 39 HB2 SER 39 57.824 -3.757 3.030
288 HG SER 39 HG SER 39 59.090 -3.672 5.144
Start of MODEL 6
1 H1 HIS 1 H1 HIS 1 68.316 6.165 5.777
2 H2 HIS 1 H2 HIS 1 68.560 6.692 4.162
3 H3 HIS 1 H3 HIS 1 67.724 7.693 5.279
4 HA HIS 1 HA HIS 1 69.809 7.640 6.636
5 HB2 HIS 1 HB3 HIS 1 70.684 5.714 5.204
6 HB3 HIS 1 HB2 HIS 1 71.007 6.918 3.961
7 HD1 HIS 1 HD1 HIS 1 71.695 7.059 7.702
8 HD2 HIS 1 HD2 HIS 1 73.690 7.263 4.062
9 HE1 HIS 1 HE1 HIS 1 74.089 7.574 8.274
10 HE2 HIS 1 HE2 HIS 1 75.258 7.779 6.053
11 H GLY 2 H GLY 2 68.151 9.540 5.912
12 HA2 GLY 2 HA3 GLY 2 69.788 11.419 4.323
13 HA3 GLY 2 HA2 GLY 2 68.033 11.397 4.250
14 H GLU 3 H GLU 3 67.378 13.261 5.115
15 HA GLU 3 HA GLU 3 68.645 14.178 7.602
16 HB2 GLU 3 HB3 GLU 3 67.332 15.544 5.319
17 HB3 GLU 3 HB2 GLU 3 67.080 16.255 6.906
18 HG2 GLU 3 HG3 GLU 3 69.730 15.910 7.004
19 HG3 GLU 3 HG2 GLU 3 69.524 16.096 5.264
20 H GLY 4 H GLY 4 65.446 13.740 6.108
21 HA2 GLY 4 HA3 GLY 4 64.347 12.871 8.628
22 HA3 GLY 4 HA2 GLY 4 63.755 14.443 8.111
23 H THR 5 H THR 5 61.641 13.495 8.026
24 HA THR 5 HA THR 5 61.220 11.618 5.807
25 HB THR 5 HB THR 5 58.826 11.616 6.873
26 HG1 THR 5 HG1 THR 5 59.319 13.347 8.323
27 HG21 THR 5 HG21 THR 5 60.258 9.665 6.932
28 HG22 THR 5 HG22 THR 5 59.450 9.894 8.482
29 HG23 THR 5 HG23 THR 5 61.147 10.339 8.297
30 H PHE 6 H PHE 6 60.012 12.141 4.051
31 HA PHE 6 HA PHE 6 58.834 14.840 3.976
32 HB2 PHE 6 HB3 PHE 6 59.466 14.726 1.463
33 HB3 PHE 6 HB2 PHE 6 60.721 15.114 2.633
34 HD1 PHE 6 HD2 PHE 6 62.163 13.148 3.477
35 HD2 PHE 6 HD1 PHE 6 59.781 13.003 -0.047
36 HE1 PHE 6 HE2 PHE 6 63.527 11.279 2.637
37 HE2 PHE 6 HE1 PHE 6 61.139 11.133 -0.892
38 HZ PHE 6 HZ PHE 6 63.015 10.270 0.451
39 H THR 7 H THR 7 58.890 11.751 2.186
40 HA THR 7 HA THR 7 56.327 12.122 1.032
41 HB THR 7 HB THR 7 57.315 9.357 1.425
42 HG1 THR 7 HG1 THR 7 58.722 11.175 -0.229
43 HG21 THR 7 HG21 THR 7 56.104 9.020 -0.387
44 HG22 THR 7 HG22 THR 7 57.136 10.127 -1.293
45 HG23 THR 7 HG23 THR 7 55.713 10.740 -0.452
46 H SER 8 H SER 8 54.820 9.951 1.408
47 HA SER 8 HA SER 8 54.482 9.047 4.041
48 HB2 SER 8 HB3 SER 8 53.142 11.617 3.358
49 HB3 SER 8 HB2 SER 8 52.212 10.438 4.283
50 HG SER 8 HG SER 8 53.254 11.313 5.898
51 H ASP 9 H ASP 9 54.338 8.086 1.329
52 HA ASP 9 HA ASP 9 51.642 6.927 1.431
53 HB2 ASP 9 HB3 ASP 9 53.037 7.775 -1.119
54 HB3 ASP 9 HB2 ASP 9 51.450 7.021 -1.001
55 H LEU 10 H LEU 10 54.229 6.019 2.349
56 HA LEU 10 HA LEU 10 54.270 3.544 0.807
57 HB2 LEU 10 HB3 LEU 10 56.675 3.298 1.502
58 HB3 LEU 10 HB2 LEU 10 56.329 4.478 0.252
59 HG LEU 10 HG LEU 10 58.020 5.226 1.931
60 HD11 LEU 10 HD11 LEU 10 57.426 7.349 1.565
61 HD12 LEU 10 HD12 LEU 10 55.859 7.153 2.350
62 HD13 LEU 10 HD13 LEU 10 56.076 6.656 0.669
63 HD21 LEU 10 HD21 LEU 10 56.771 4.125 3.857
64 HD22 LEU 10 HD22 LEU 10 55.717 5.539 3.832
65 HD23 LEU 10 HD23 LEU 10 57.443 5.729 4.147
66 H SER 11 H SER 11 53.083 4.746 3.342
67 HA SER 11 HA SER 11 53.769 2.509 5.086
68 HB2 SER 11 HB3 SER 11 54.572 4.504 6.152
69 HB3 SER 11 HB2 SER 11 53.079 5.357 5.770
70 H LYS 12 H LYS 12 51.360 4.552 3.704
71 HA LYS 12 HA LYS 12 49.234 2.801 4.721
72 HB2 LYS 12 HB3 LYS 12 49.413 5.751 4.323
73 HB3 LYS 12 HB2 LYS 12 47.866 4.935 4.247
74 HG2 LYS 12 HG3 LYS 12 47.799 4.585 6.465
75 HG3 LYS 12 HG2 LYS 12 49.525 4.212 6.522
76 HD2 LYS 12 HD3 LYS 12 49.119 6.227 7.789
77 HD3 LYS 12 HD2 LYS 12 50.022 6.627 6.325
78 HE2 LYS 12 HE2 LYS 12 48.340 7.856 5.475
79 HE3 LYS 12 HE3 LYS 12 47.101 6.738 6.041
80 HZ1 LYS 12 HZ1 LYS 12 48.225 9.082 7.352
81 HZ2 LYS 12 HZ2 LYS 12 47.871 7.763 8.349
82 HZ3 LYS 12 HZ3 LYS 12 46.652 8.461 7.407
83 H GLN 13 H GLN 13 50.817 4.094 2.034
84 HA GLN 13 HA GLN 13 48.591 3.314 0.284
85 HB2 GLN 13 HB3 GLN 13 50.809 5.154 -0.498
86 HB3 GLN 13 HB2 GLN 13 49.256 4.935 -1.281
87 HG2 GLN 13 HG3 GLN 13 49.473 6.022 1.501
88 HG3 GLN 13 HG2 GLN 13 49.632 7.062 0.086
89 HE21 GLN 13 HE21 GLN 13 47.850 7.894 -0.738
90 HE22 GLN 13 HE22 GLN 13 46.232 7.355 -0.409
91 H MET 14 H MET 14 52.115 3.191 0.706
92 HA MET 14 HA MET 14 52.128 1.182 -1.463
93 HB2 MET 14 HB3 MET 14 54.098 1.984 -2.124
94 HB3 MET 14 HB2 MET 14 53.958 3.254 -0.925
95 HG2 MET 14 HG3 MET 14 55.146 1.945 0.685
96 HG3 MET 14 HG2 MET 14 55.147 0.543 -0.398
97 HE1 MET 14 HE1 MET 14 56.200 1.029 -3.068
98 HE2 MET 14 HE2 MET 14 56.991 -0.031 -1.899
99 HE3 MET 14 HE3 MET 14 57.945 1.126 -2.827
100 H GLU 15 H GLU 15 52.308 1.703 1.882
101 HA GLU 15 HA GLU 15 53.423 -0.909 2.407
102 HB2 GLU 15 HB3 GLU 15 53.271 1.469 3.866
103 HB3 GLU 15 HB2 GLU 15 52.218 0.346 4.710
104 HG2 GLU 15 HG3 GLU 15 54.057 -1.272 4.804
105 HG3 GLU 15 HG2 GLU 15 55.111 -0.101 4.015
106 H GLU 16 H GLU 16 50.351 0.871 2.264
107 HA GLU 16 HA GLU 16 48.670 -0.965 3.524
108 HB2 GLU 16 HB3 GLU 16 48.362 1.247 1.766
109 HB3 GLU 16 HB2 GLU 16 47.383 -0.069 1.135
110 HG2 GLU 16 HG3 GLU 16 46.346 -0.306 3.365
111 HG3 GLU 16 HG2 GLU 16 47.253 1.105 3.900
112 H GLU 17 H GLU 17 50.139 -0.957 0.365
113 HA GLU 17 HA GLU 17 48.980 -3.499 -0.414
114 HB2 GLU 17 HB3 GLU 17 49.698 -3.009 -2.531
115 HB3 GLU 17 HB2 GLU 17 49.580 -1.376 -1.898
116 HG2 GLU 17 HG3 GLU 17 52.019 -1.608 -1.275
117 HG3 GLU 17 HG2 GLU 17 52.035 -3.046 -2.268
118 H DAL 18 H ALA 18 51.967 -2.045 0.672
119 HA DAL 18 HA ALA 18 53.838 -2.925 1.613
120 HB1 DAL 18 HB1 ALA 18 54.821 -3.435 -0.357
121 HB2 DAL 18 HB2 ALA 18 53.452 -4.396 -0.916
122 HB3 DAL 18 HB3 ALA 18 54.605 -5.085 0.228
123 H VAL 19 H VAL 19 51.607 -3.580 2.975
124 HA VAL 19 HA VAL 19 52.385 -5.865 4.445
125 HB VAL 19 HB VAL 19 49.685 -4.501 4.446
126 HG11 VAL 19 HG11 VAL 19 51.027 -6.467 6.250
127 HG12 VAL 19 HG12 VAL 19 49.369 -6.443 5.650
128 HG13 VAL 19 HG13 VAL 19 49.866 -5.314 6.910
129 HG21 VAL 19 HG21 VAL 19 52.296 -3.639 5.418
130 HG22 VAL 19 HG22 VAL 19 51.042 -3.614 6.657
131 HG23 VAL 19 HG23 VAL 19 50.819 -2.709 5.158
132 H ARG 20 H ARG 20 50.169 -5.319 1.788
133 HA ARG 20 HA ARG 20 48.768 -7.776 1.984
134 HB2 ARG 20 HB3 ARG 20 49.246 -6.075 -0.475
135 HB3 ARG 20 HB2 ARG 20 48.021 -7.322 -0.298
136 HG2 ARG 20 HG3 ARG 20 47.992 -5.140 1.693
137 HG3 ARG 20 HG2 ARG 20 47.513 -4.732 0.045
138 HD2 ARG 20 HD3 ARG 20 46.055 -6.902 0.272
139 HD3 ARG 20 HD2 ARG 20 46.230 -6.586 1.997
140 HE ARG 20 HE ARG 20 44.682 -4.940 1.762
141 HH11 ARG 20 HH11 ARG 20 46.230 -5.409 -1.332
142 HH12 ARG 20 HH12 ARG 20 45.240 -4.245 -2.145
143 HH21 ARG 20 HH21 ARG 20 43.378 -3.409 0.693
144 HH22 ARG 20 HH22 ARG 20 43.620 -3.110 -0.996
145 H LEU 21 H LEU 21 51.717 -6.753 0.316
146 HA LEU 21 HA LEU 21 52.049 -9.450 -0.777
147 HB2 LEU 21 HB3 LEU 21 53.896 -7.093 -1.066
148 HB3 LEU 21 HB2 LEU 21 53.869 -8.556 -2.041
149 HG LEU 21 HG LEU 21 51.654 -6.523 -1.926
150 HD11 LEU 21 HD11 LEU 21 52.514 -5.475 -3.741
151 HD12 LEU 21 HD12 LEU 21 53.244 -6.950 -4.379
152 HD13 LEU 21 HD13 LEU 21 54.030 -6.071 -3.068
153 HD21 LEU 21 HD21 LEU 21 51.502 -9.159 -2.647
154 HD22 LEU 21 HD22 LEU 21 51.788 -8.356 -4.191
155 HD23 LEU 21 HD23 LEU 21 50.414 -7.882 -3.190
156 H TYR 22 H TYR 22 53.237 -7.408 1.756
157 HA TYR 22 HA TYR 22 55.577 -8.882 2.392
158 HB2 TYR 22 HB3 TYR 22 55.459 -6.696 3.267
159 HB3 TYR 22 HB2 TYR 22 53.820 -6.916 3.836
160 HD1 TYR 22 HD1 TYR 22 56.845 -9.015 4.357
161 HD2 TYR 22 HD2 TYR 22 53.856 -6.533 6.067
162 HE1 TYR 22 HE1 TYR 22 57.677 -9.572 6.599
163 HE2 TYR 22 HE2 TYR 22 54.664 -7.072 8.308
164 HH TYR 22 HH TYR 22 57.406 -8.078 9.092
165 H ILE 23 H ILE 23 52.278 -8.753 3.586
166 HA ILE 23 HA ILE 23 52.535 -10.913 5.392
167 HB ILE 23 HB ILE 23 50.098 -9.771 4.009
168 HG12 ILE 23 HG12 ILE 23 51.417 -8.309 5.609
169 HG13 ILE 23 HG13 ILE 23 49.722 -8.547 6.014
170 HG21 ILE 23 HG21 ILE 23 49.161 -10.970 6.243
171 HG22 ILE 23 HG22 ILE 23 50.439 -12.085 5.760
172 HG23 ILE 23 HG23 ILE 23 49.141 -11.689 4.633
173 HD11 ILE 23 HD11 ILE 23 51.234 -10.575 7.295
174 HD12 ILE 23 HD12 ILE 23 50.308 -9.260 8.020
175 HD13 ILE 23 HD13 ILE 23 52.005 -9.019 7.605
176 H GLN 24 H GLN 24 51.951 -10.563 1.956
177 HA GLN 24 HA GLN 24 51.078 -13.221 1.425
178 HB2 GLN 24 HB3 GLN 24 50.952 -11.253 -0.168
179 HB3 GLN 24 HB2 GLN 24 52.675 -11.439 -0.424
180 HG2 GLN 24 HG3 GLN 24 51.602 -12.523 -2.218
181 HG3 GLN 24 HG2 GLN 24 52.214 -13.790 -1.155
182 HE21 GLN 24 HE21 GLN 24 50.860 -15.418 -1.048
183 HE22 GLN 24 HE22 GLN 24 49.136 -15.316 -0.990
184 H TRP 25 H TRP 25 54.198 -11.578 1.353
185 HA TRP 25 HA TRP 25 55.886 -13.701 0.696
186 HB2 TRP 25 HB3 TRP 25 56.740 -11.445 0.796
187 HB3 TRP 25 HB2 TRP 25 56.289 -11.297 2.494
188 HD1 TRP 25 HD1 TRP 25 58.861 -13.045 0.248
189 HE1 TRP 25 HE1 TRP 25 60.887 -13.675 1.694
190 HE3 TRP 25 HE3 TRP 25 57.027 -11.727 4.815
191 HZ2 TRP 25 HZ2 TRP 25 61.623 -13.601 4.425
192 HZ3 TRP 25 HZ3 TRP 25 58.452 -12.023 6.795
193 HH2 TRP 25 HH2 TRP 25 60.695 -12.958 6.602
194 H LEU 26 H LEU 26 54.230 -12.807 3.608
195 HA LEU 26 HA LEU 26 55.582 -14.759 5.261
196 HB2 LEU 26 HB3 LEU 26 53.532 -12.634 5.674
197 HB3 LEU 26 HB2 LEU 26 53.600 -13.943 6.827
198 HG LEU 26 HG LEU 26 55.652 -11.831 6.272
199 HD11 LEU 26 HD11 LEU 26 53.821 -11.602 8.003
200 HD12 LEU 26 HD12 LEU 26 55.473 -11.393 8.583
201 HD13 LEU 26 HD13 LEU 26 54.619 -12.906 8.881
202 HD21 LEU 26 HD21 LEU 26 57.156 -13.115 7.811
203 HD22 LEU 26 HD22 LEU 26 56.957 -13.818 6.207
204 HD23 LEU 26 HD23 LEU 26 56.094 -14.503 7.583
205 H LYS 27 H LYS 27 52.591 -14.427 3.461
206 HA LYS 27 HA LYS 27 50.985 -16.336 4.631
207 HB2 LYS 27 HB3 LYS 27 51.167 -15.056 2.048
208 HB3 LYS 27 HB2 LYS 27 50.676 -16.734 1.866
209 HG2 LYS 27 HG3 LYS 27 48.696 -16.420 2.967
210 HG3 LYS 27 HG2 LYS 27 49.313 -15.067 3.918
211 HD2 LYS 27 HD3 LYS 27 49.208 -13.608 2.016
212 HD3 LYS 27 HD2 LYS 27 48.799 -14.954 0.949
213 HE2 LYS 27 HE2 LYS 27 46.636 -15.052 1.679
214 HE3 LYS 27 HE3 LYS 27 47.038 -14.447 3.285
215 HZ1 LYS 27 HZ1 LYS 27 47.591 -12.312 1.801
216 HZ2 LYS 27 HZ2 LYS 27 46.073 -12.591 2.493
217 HZ3 LYS 27 HZ3 LYS 27 46.349 -12.987 0.871
218 H GLU 28 H GLU 28 53.848 -16.784 2.709
219 HA GLU 28 HA GLU 28 53.437 -19.676 2.603
220 HB2 GLU 28 HB3 GLU 28 55.843 -18.269 1.493
221 HB3 GLU 28 HB2 GLU 28 55.094 -19.766 0.958
222 HG2 GLU 28 HG3 GLU 28 53.092 -17.970 0.539
223 HG3 GLU 28 HG2 GLU 28 54.525 -16.998 0.208
224 H GLY 29 H GLY 29 55.263 -17.251 4.295
225 HA2 GLY 29 HA3 GLY 29 56.070 -18.027 6.508
226 HA3 GLY 29 HA2 GLY 29 56.788 -19.391 5.645
227 H GLY 30 H GLY 30 56.765 -16.268 4.191
228 HA2 GLY 30 HA3 GLY 30 58.726 -15.348 3.203
229 HA3 GLY 30 HA2 GLY 30 58.606 -14.645 4.797
230 HA PRO 31 HA PRO 31 62.591 -16.151 5.731
231 HB2 PRO 31 HB3 PRO 31 62.423 -16.495 8.403
232 HB3 PRO 31 HB2 PRO 31 62.360 -14.894 7.654
233 HG2 PRO 31 HG3 PRO 31 60.116 -16.604 8.651
234 HG3 PRO 31 HG2 PRO 31 60.355 -14.857 8.831
235 HD2 PRO 31 HD3 PRO 31 58.709 -15.974 6.978
236 HD3 PRO 31 HD2 PRO 31 59.483 -14.422 6.768
237 H SER 32 H SER 32 61.408 -18.224 4.527
238 HA SER 32 HA SER 32 62.639 -20.481 5.592
239 HB2 SER 32 HB3 SER 32 61.073 -20.621 7.355
240 HB3 SER 32 HB2 SER 32 59.723 -20.202 6.300
241 HG SER 32 HG SER 32 59.569 -22.357 6.513
242 H SER 33 H SER 33 59.933 -19.268 3.693
243 HA SER 33 HA SER 33 59.528 -21.453 2.016
244 HB2 SER 33 HB3 SER 33 58.137 -19.318 2.194
245 HB3 SER 33 HB2 SER 33 59.318 -18.583 1.101
246 HG SER 33 HG SER 33 57.256 -20.201 0.519
247 H GLY 34 H GLY 34 62.025 -19.014 1.991
248 HA2 GLY 34 HA3 GLY 34 64.155 -19.702 0.982
249 HA3 GLY 34 HA2 GLY 34 63.217 -20.366 -0.353
250 H ARG 35 H ARG 35 62.163 -17.350 0.927
251 HA ARG 35 HA ARG 35 63.561 -15.886 -1.191
252 HB2 ARG 35 HB3 ARG 35 61.485 -14.652 -1.684
253 HB3 ARG 35 HB2 ARG 35 61.327 -16.368 -2.026
254 HG2 ARG 35 HG3 ARG 35 60.472 -16.148 0.588
255 HG3 ARG 35 HG2 ARG 35 59.852 -14.691 -0.186
256 HD2 ARG 35 HD3 ARG 35 59.530 -17.195 -1.706
257 HD3 ARG 35 HD2 ARG 35 58.579 -17.065 -0.225
258 HE ARG 35 HE ARG 35 58.112 -14.707 -1.460
259 HH11 ARG 35 HH11 ARG 35 57.898 -18.029 -2.511
260 HH12 ARG 35 HH12 ARG 35 56.620 -17.721 -3.638
261 HH21 ARG 35 HH21 ARG 35 56.432 -14.301 -2.944
262 HH22 ARG 35 HH22 ARG 35 55.788 -15.604 -3.884
263 HA PRO 36 HA PRO 36 64.022 -12.826 1.969
264 HB2 PRO 36 HB3 PRO 36 64.536 -10.637 0.519
265 HB3 PRO 36 HB2 PRO 36 65.630 -12.024 0.509
266 HG2 PRO 36 HG3 PRO 36 63.702 -11.120 -1.555
267 HG3 PRO 36 HG2 PRO 36 65.241 -11.975 -1.748
268 HD2 PRO 36 HD3 PRO 36 62.637 -13.099 -1.765
269 HD3 PRO 36 HD2 PRO 36 64.180 -13.976 -1.777
270 HA PRO 37 HA PRO 37 60.242 -10.608 2.578
271 HB2 PRO 37 HB3 PRO 37 61.410 -8.747 4.409
272 HB3 PRO 37 HB2 PRO 37 60.533 -10.235 4.783
273 HG2 PRO 37 HG3 PRO 37 63.240 -9.808 5.235
274 HG3 PRO 37 HG2 PRO 37 62.450 -11.391 5.159
275 HD2 PRO 37 HD3 PRO 37 64.055 -9.968 3.084
276 HD3 PRO 37 HD2 PRO 37 63.944 -11.704 3.435
277 HA PRO 38 HA PRO 38 60.368 -7.038 -0.067
278 HB2 PRO 38 HB3 PRO 38 57.926 -6.000 0.525
279 HB3 PRO 38 HB2 PRO 38 58.148 -7.421 -0.502
280 HG2 PRO 38 HG3 PRO 38 57.414 -7.274 2.395
281 HG3 PRO 38 HG2 PRO 38 56.750 -8.312 1.124
282 HD2 PRO 38 HD3 PRO 38 58.568 -9.197 2.914
283 HD3 PRO 38 HD2 PRO 38 58.504 -9.800 1.245
284 H SER 39 H SER 39 59.310 -4.600 0.326
285 HA SER 39 HA SER 39 60.942 -3.553 2.504
286 HB2 SER 39 HB3 SER 39 59.459 -1.777 0.612
287 HB3 SER 39 HB2 SER 39 61.050 -1.561 1.339
288 HG SER 39 HG SER 39 61.579 -2.134 -0.655
Start of MODEL 7
1 H1 HIS 1 H1 HIS 1 65.227 18.472 -9.739
2 H2 HIS 1 H2 HIS 1 65.607 18.684 -8.078
3 H3 HIS 1 H3 HIS 1 64.080 18.050 -8.537
4 HA HIS 1 HA HIS 1 64.949 16.061 -9.207
5 HB2 HIS 1 HB3 HIS 1 67.387 15.716 -9.452
6 HB3 HIS 1 HB2 HIS 1 66.790 16.983 -10.519
7 HD1 HIS 1 HD1 HIS 1 69.386 17.703 -10.520
8 HD2 HIS 1 HD2 HIS 1 67.318 18.269 -6.961
9 HE1 HIS 1 HE1 HIS 1 70.786 19.304 -9.177
10 HE2 HIS 1 HE2 HIS 1 69.556 19.565 -6.994
11 H GLY 2 H GLY 2 64.308 17.373 -6.669
12 HA2 GLY 2 HA3 GLY 2 65.477 15.367 -4.923
13 HA3 GLY 2 HA2 GLY 2 65.859 17.033 -4.513
14 H GLU 3 H GLU 3 63.445 18.272 -5.109
15 HA GLU 3 HA GLU 3 61.376 18.720 -4.276
16 HB2 GLU 3 HB3 GLU 3 61.242 16.066 -4.877
17 HB3 GLU 3 HB2 GLU 3 60.877 16.037 -3.157
18 HG2 GLU 3 HG3 GLU 3 58.784 16.261 -4.021
19 HG3 GLU 3 HG2 GLU 3 59.214 17.955 -3.794
20 H GLY 4 H GLY 4 62.526 16.185 -2.042
21 HA2 GLY 4 HA3 GLY 4 63.470 16.626 0.103
22 HA3 GLY 4 HA2 GLY 4 62.742 18.224 0.062
23 H THR 5 H THR 5 60.129 17.304 -0.767
24 HA THR 5 HA THR 5 59.139 16.543 1.838
25 HB THR 5 HB THR 5 57.986 18.271 0.532
26 HG1 THR 5 HG1 THR 5 56.822 16.761 1.955
27 HG21 THR 5 HG21 THR 5 57.256 18.073 -1.563
28 HG22 THR 5 HG22 THR 5 56.678 16.426 -1.309
29 HG23 THR 5 HG23 THR 5 58.381 16.718 -1.664
30 H PHE 6 H PHE 6 58.492 14.579 2.462
31 HA PHE 6 HA PHE 6 59.102 12.284 0.980
32 HB2 PHE 6 HB3 PHE 6 57.689 11.099 2.719
33 HB3 PHE 6 HB2 PHE 6 59.000 12.093 3.350
34 HD1 PHE 6 HD2 PHE 6 55.382 12.381 2.479
35 HD2 PHE 6 HD1 PHE 6 58.541 13.491 5.109
36 HE1 PHE 6 HE2 PHE 6 53.775 13.595 3.892
37 HE2 PHE 6 HE1 PHE 6 56.938 14.706 6.525
38 HZ PHE 6 HZ PHE 6 54.552 14.760 5.918
39 H THR 7 H THR 7 57.446 10.523 0.518
40 HA THR 7 HA THR 7 55.459 11.643 -1.273
41 HB THR 7 HB THR 7 55.143 8.961 -1.510
42 HG1 THR 7 HG1 THR 7 56.977 7.911 -1.069
43 HG21 THR 7 HG21 THR 7 56.007 9.248 -3.534
44 HG22 THR 7 HG22 THR 7 57.559 9.781 -2.892
45 HG23 THR 7 HG23 THR 7 56.234 10.932 -3.068
46 H SER 8 H SER 8 55.598 9.829 1.724
47 HA SER 8 HA SER 8 54.021 9.292 3.270
48 HB2 SER 8 HB3 SER 8 53.528 11.775 2.955
49 HB3 SER 8 HB2 SER 8 52.195 11.277 1.912
50 HG SER 8 HG SER 8 51.097 10.663 3.609
51 H ASP 9 H ASP 9 54.009 8.100 0.450
52 HA ASP 9 HA ASP 9 51.380 6.805 0.708
53 HB2 ASP 9 HB3 ASP 9 51.346 6.581 -1.787
54 HB3 ASP 9 HB2 ASP 9 51.226 8.245 -1.229
55 H LEU 10 H LEU 10 53.986 6.086 1.729
56 HA LEU 10 HA LEU 10 54.162 3.489 0.409
57 HB2 LEU 10 HB3 LEU 10 56.539 3.390 1.203
58 HB3 LEU 10 HB2 LEU 10 56.205 4.470 -0.138
59 HG LEU 10 HG LEU 10 57.798 5.392 1.551
60 HD11 LEU 10 HD11 LEU 10 57.155 7.450 0.985
61 HD12 LEU 10 HD12 LEU 10 55.583 7.276 1.769
62 HD13 LEU 10 HD13 LEU 10 55.827 6.658 0.136
63 HD21 LEU 10 HD21 LEU 10 56.457 4.370 3.488
64 HD22 LEU 10 HD22 LEU 10 55.431 5.797 3.343
65 HD23 LEU 10 HD23 LEU 10 57.147 5.979 3.708
66 H SER 11 H SER 11 52.850 4.854 2.814
67 HA SER 11 HA SER 11 53.540 2.767 4.736
68 HB2 SER 11 HB3 SER 11 54.244 4.883 5.652
69 HB3 SER 11 HB2 SER 11 52.710 5.626 5.201
70 H LYS 12 H LYS 12 51.109 4.634 3.148
71 HA LYS 12 HA LYS 12 49.014 2.871 4.208
72 HB2 LYS 12 HB3 LYS 12 49.096 5.798 3.624
73 HB3 LYS 12 HB2 LYS 12 47.585 4.914 3.582
74 HG2 LYS 12 HG3 LYS 12 47.494 4.717 5.820
75 HG3 LYS 12 HG2 LYS 12 49.234 4.417 5.924
76 HD2 LYS 12 HD3 LYS 12 48.745 6.492 7.046
77 HD3 LYS 12 HD2 LYS 12 49.627 6.838 5.556
78 HE2 LYS 12 HE2 LYS 12 47.414 7.263 4.457
79 HE3 LYS 12 HE3 LYS 12 46.667 7.128 6.049
80 HZ1 LYS 12 HZ1 LYS 12 47.383 9.435 5.098
81 HZ2 LYS 12 HZ2 LYS 12 48.902 8.995 5.695
82 HZ3 LYS 12 HZ3 LYS 12 47.578 9.089 6.743
83 H GLN 13 H GLN 13 50.680 3.934 1.502
84 HA GLN 13 HA GLN 13 48.525 2.992 -0.260
85 HB2 GLN 13 HB3 GLN 13 48.922 5.382 -0.498
86 HB3 GLN 13 HB2 GLN 13 50.617 5.073 -0.821
87 HG2 GLN 13 HG3 GLN 13 50.213 4.804 -2.979
88 HG3 GLN 13 HG2 GLN 13 49.020 3.553 -2.635
89 HE21 GLN 13 HE21 GLN 13 46.971 4.713 -1.527
90 HE22 GLN 13 HE22 GLN 13 46.312 5.983 -2.512
91 H MET 14 H MET 14 52.035 3.063 0.278
92 HA MET 14 HA MET 14 52.206 0.923 -1.754
93 HB2 MET 14 HB3 MET 14 54.161 1.759 -2.415
94 HB3 MET 14 HB2 MET 14 53.935 3.102 -1.312
95 HG2 MET 14 HG3 MET 14 55.133 1.963 0.415
96 HG3 MET 14 HG2 MET 14 55.215 0.487 -0.559
97 HE1 MET 14 HE1 MET 14 56.338 2.321 -3.640
98 HE2 MET 14 HE2 MET 14 55.856 0.746 -3.011
99 HE3 MET 14 HE3 MET 14 57.560 1.096 -3.300
100 H GLU 15 H GLU 15 52.211 1.658 1.547
101 HA GLU 15 HA GLU 15 53.420 -0.862 2.287
102 HB2 GLU 15 HB3 GLU 15 53.087 1.607 3.589
103 HB3 GLU 15 HB2 GLU 15 52.109 0.452 4.480
104 HG2 GLU 15 HG3 GLU 15 54.057 -1.005 4.700
105 HG3 GLU 15 HG2 GLU 15 55.036 0.170 3.828
106 H GLU 16 H GLU 16 50.288 0.810 2.009
107 HA GLU 16 HA GLU 16 48.642 -1.034 3.293
108 HB2 GLU 16 HB3 GLU 16 48.300 1.083 1.418
109 HB3 GLU 16 HB2 GLU 16 47.369 -0.296 0.852
110 HG2 GLU 16 HG3 GLU 16 46.295 -0.440 3.060
111 HG3 GLU 16 HG2 GLU 16 47.174 1.001 3.558
112 H GLU 17 H GLU 17 50.171 -1.105 0.160
113 HA GLU 17 HA GLU 17 49.120 -3.724 -0.517
114 HB2 GLU 17 HB3 GLU 17 49.860 -3.310 -2.643
115 HB3 GLU 17 HB2 GLU 17 49.670 -1.655 -2.094
116 HG2 GLU 17 HG3 GLU 17 52.087 -1.701 -1.459
117 HG3 GLU 17 HG2 GLU 17 52.206 -3.243 -2.277
118 H DAL 18 H ALA 18 52.030 -2.114 0.560
119 HA DAL 18 HA ALA 18 53.898 -2.894 1.597
120 HB1 DAL 18 HB1 ALA 18 54.972 -3.444 -0.313
121 HB2 DAL 18 HB2 ALA 18 53.645 -4.452 -0.893
122 HB3 DAL 18 HB3 ALA 18 54.770 -5.083 0.310
123 H VAL 19 H VAL 19 51.632 -3.577 2.888
124 HA VAL 19 HA VAL 19 52.420 -5.812 4.452
125 HB VAL 19 HB VAL 19 49.715 -4.455 4.375
126 HG11 VAL 19 HG11 VAL 19 49.405 -6.379 5.621
127 HG12 VAL 19 HG12 VAL 19 49.844 -5.198 6.856
128 HG13 VAL 19 HG13 VAL 19 51.045 -6.347 6.268
129 HG21 VAL 19 HG21 VAL 19 50.828 -2.640 5.055
130 HG22 VAL 19 HG22 VAL 19 52.307 -3.556 5.359
131 HG23 VAL 19 HG23 VAL 19 51.036 -3.503 6.580
132 H ARG 20 H ARG 20 50.164 -5.287 1.813
133 HA ARG 20 HA ARG 20 48.789 -7.744 1.991
134 HB2 ARG 20 HB3 ARG 20 49.295 -5.940 -0.384
135 HB3 ARG 20 HB2 ARG 20 48.212 -7.323 -0.410
136 HG2 ARG 20 HG3 ARG 20 47.596 -5.595 1.807
137 HG3 ARG 20 HG2 ARG 20 47.591 -4.699 0.287
138 HD2 ARG 20 HD3 ARG 20 46.036 -6.287 -0.677
139 HD3 ARG 20 HD2 ARG 20 46.095 -7.268 0.786
140 HE ARG 20 HE ARG 20 44.531 -4.920 0.355
141 HH11 ARG 20 HH11 ARG 20 46.191 -6.779 2.798
142 HH12 ARG 20 HH12 ARG 20 45.190 -6.209 4.091
143 HH21 ARG 20 HH21 ARG 20 43.214 -4.166 2.055
144 HH22 ARG 20 HH22 ARG 20 43.500 -4.726 3.668
145 H LEU 21 H LEU 21 51.786 -6.751 0.394
146 HA LEU 21 HA LEU 21 52.123 -9.457 -0.668
147 HB2 LEU 21 HB3 LEU 21 53.918 -7.059 -0.971
148 HB3 LEU 21 HB2 LEU 21 54.047 -8.579 -1.845
149 HG LEU 21 HG LEU 21 51.774 -6.621 -2.026
150 HD11 LEU 21 HD11 LEU 21 53.380 -7.359 -4.382
151 HD12 LEU 21 HD12 LEU 21 54.195 -6.364 -3.173
152 HD13 LEU 21 HD13 LEU 21 52.700 -5.801 -3.918
153 HD21 LEU 21 HD21 LEU 21 50.775 -8.692 -2.362
154 HD22 LEU 21 HD22 LEU 21 52.190 -9.348 -3.188
155 HD23 LEU 21 HD23 LEU 21 51.172 -8.156 -3.995
156 H TYR 22 H TYR 22 53.258 -7.409 1.878
157 HA TYR 22 HA TYR 22 55.576 -8.912 2.564
158 HB2 TYR 22 HB3 TYR 22 55.516 -6.729 3.427
159 HB3 TYR 22 HB2 TYR 22 53.850 -6.871 3.933
160 HD1 TYR 22 HD1 TYR 22 56.804 -9.035 4.605
161 HD2 TYR 22 HD2 TYR 22 53.773 -6.502 6.163
162 HE1 TYR 22 HE1 TYR 22 57.522 -9.590 6.888
163 HE2 TYR 22 HE2 TYR 22 54.469 -7.039 8.440
164 HH TYR 22 HH TYR 22 57.115 -8.037 9.379
165 H ILE 23 H ILE 23 52.249 -8.719 3.648
166 HA ILE 23 HA ILE 23 52.431 -10.864 5.491
167 HB ILE 23 HB ILE 23 50.031 -9.695 4.061
168 HG12 ILE 23 HG12 ILE 23 51.363 -8.215 5.642
169 HG13 ILE 23 HG13 ILE 23 49.657 -8.409 6.024
170 HG21 ILE 23 HG21 ILE 23 49.093 -11.629 4.716
171 HG22 ILE 23 HG22 ILE 23 49.018 -10.812 6.277
172 HG23 ILE 23 HG23 ILE 23 50.329 -11.939 5.934
173 HD11 ILE 23 HD11 ILE 23 50.898 -8.527 8.048
174 HD12 ILE 23 HD12 ILE 23 51.999 -9.725 7.371
175 HD13 ILE 23 HD13 ILE 23 50.316 -10.151 7.684
176 H GLN 24 H GLN 24 51.903 -10.512 2.041
177 HA GLN 24 HA GLN 24 50.995 -13.163 1.518
178 HB2 GLN 24 HB3 GLN 24 50.796 -11.352 -0.146
179 HB3 GLN 24 HB2 GLN 24 52.544 -11.256 -0.253
180 HG2 GLN 24 HG3 GLN 24 51.228 -13.860 -0.806
181 HG3 GLN 24 HG2 GLN 24 51.140 -12.583 -2.022
182 HE21 GLN 24 HE21 GLN 24 53.077 -14.975 -0.551
183 HE22 GLN 24 HE22 GLN 24 54.517 -14.702 -1.465
184 H TRP 25 H TRP 25 54.123 -11.547 1.504
185 HA TRP 25 HA TRP 25 55.808 -13.680 0.854
186 HB2 TRP 25 HB3 TRP 25 56.672 -11.419 0.985
187 HB3 TRP 25 HB2 TRP 25 56.214 -11.297 2.681
188 HD1 TRP 25 HD1 TRP 25 58.789 -13.006 0.415
189 HE1 TRP 25 HE1 TRP 25 60.798 -13.699 1.862
190 HE3 TRP 25 HE3 TRP 25 56.920 -11.804 4.998
191 HZ2 TRP 25 HZ2 TRP 25 61.505 -13.710 4.607
192 HZ3 TRP 25 HZ3 TRP 25 58.324 -12.167 6.984
193 HH2 TRP 25 HH2 TRP 25 60.564 -13.114 6.787
194 H LEU 26 H LEU 26 54.102 -12.796 3.737
195 HA LEU 26 HA LEU 26 55.417 -14.760 5.407
196 HB2 LEU 26 HB3 LEU 26 53.390 -12.613 5.787
197 HB3 LEU 26 HB2 LEU 26 53.402 -13.930 6.933
198 HG LEU 26 HG LEU 26 55.499 -11.846 6.450
199 HD11 LEU 26 HD11 LEU 26 55.279 -11.438 8.765
200 HD12 LEU 26 HD12 LEU 26 54.385 -12.937 9.019
201 HD13 LEU 26 HD13 LEU 26 53.638 -11.604 8.141
202 HD21 LEU 26 HD21 LEU 26 56.954 -13.164 8.001
203 HD22 LEU 26 HD22 LEU 26 56.776 -13.856 6.391
204 HD23 LEU 26 HD23 LEU 26 55.878 -14.537 7.745
205 H LYS 27 H LYS 27 52.454 -14.394 3.569
206 HA LYS 27 HA LYS 27 50.804 -16.281 4.691
207 HB2 LYS 27 HB3 LYS 27 51.076 -15.025 2.104
208 HB3 LYS 27 HB2 LYS 27 50.561 -16.696 1.924
209 HG2 LYS 27 HG3 LYS 27 48.491 -16.061 2.373
210 HG3 LYS 27 HG2 LYS 27 49.010 -15.629 4.004
211 HD2 LYS 27 HD3 LYS 27 49.583 -13.383 3.237
212 HD3 LYS 27 HD2 LYS 27 49.103 -13.814 1.594
213 HE2 LYS 27 HE2 LYS 27 47.277 -12.636 2.521
214 HE3 LYS 27 HE3 LYS 27 46.818 -14.338 2.532
215 HZ1 LYS 27 HZ1 LYS 27 46.284 -13.875 4.651
216 HZ2 LYS 27 HZ2 LYS 27 47.318 -12.541 4.753
217 HZ3 LYS 27 HZ3 LYS 27 47.936 -14.106 4.936
218 H GLU 28 H GLU 28 53.642 -16.795 2.709
219 HA GLU 28 HA GLU 28 53.211 -19.679 2.671
220 HB2 GLU 28 HB3 GLU 28 55.728 -18.494 1.622
221 HB3 GLU 28 HB2 GLU 28 54.746 -19.800 0.974
222 HG2 GLU 28 HG3 GLU 28 53.079 -17.684 0.656
223 HG3 GLU 28 HG2 GLU 28 54.655 -16.921 0.443
224 H GLY 29 H GLY 29 55.103 -17.267 4.332
225 HA2 GLY 29 HA3 GLY 29 55.853 -18.026 6.577
226 HA3 GLY 29 HA2 GLY 29 56.541 -19.425 5.745
227 H GLY 30 H GLY 30 56.592 -16.270 4.326
228 HA2 GLY 30 HA3 GLY 30 58.574 -15.410 3.311
229 HA3 GLY 30 HA2 GLY 30 58.486 -14.717 4.913
230 HA PRO 31 HA PRO 31 62.423 -16.357 5.817
231 HB2 PRO 31 HB3 PRO 31 62.241 -16.787 8.478
232 HB3 PRO 31 HB2 PRO 31 62.227 -15.161 7.782
233 HG2 PRO 31 HG3 PRO 31 59.933 -16.831 8.724
234 HG3 PRO 31 HG2 PRO 31 60.222 -15.101 8.955
235 HD2 PRO 31 HD3 PRO 31 58.547 -16.117 7.070
236 HD3 PRO 31 HD2 PRO 31 59.362 -14.580 6.907
237 H SER 32 H SER 32 61.476 -18.344 4.500
238 HA SER 32 HA SER 32 62.475 -20.675 5.667
239 HB2 SER 32 HB3 SER 32 60.095 -20.196 6.828
240 HB3 SER 32 HB2 SER 32 59.545 -21.090 5.409
241 HG SER 32 HG SER 32 60.537 -22.855 6.112
242 H SER 33 H SER 33 60.341 -19.211 3.303
243 HA SER 33 HA SER 33 60.612 -21.465 1.488
244 HB2 SER 33 HB3 SER 33 58.591 -19.660 1.888
245 HB3 SER 33 HB2 SER 33 59.380 -19.004 0.447
246 HG SER 33 HG SER 33 58.580 -21.712 0.728
247 H GLY 34 H GLY 34 62.933 -19.692 2.280
248 HA2 GLY 34 HA3 GLY 34 64.762 -18.726 1.287
249 HA3 GLY 34 HA2 GLY 34 64.347 -19.730 -0.101
250 H ARG 35 H ARG 35 62.128 -17.319 1.073
251 HA ARG 35 HA ARG 35 62.569 -15.796 -1.397
252 HB2 ARG 35 HB3 ARG 35 60.244 -16.790 -0.293
253 HB3 ARG 35 HB2 ARG 35 60.211 -15.102 0.198
254 HG2 ARG 35 HG3 ARG 35 59.039 -15.267 -1.853
255 HG3 ARG 35 HG2 ARG 35 60.584 -14.489 -2.201
256 HD2 ARG 35 HD3 ARG 35 60.518 -17.434 -2.422
257 HD3 ARG 35 HD2 ARG 35 59.596 -16.540 -3.631
258 HE ARG 35 HE ARG 35 61.990 -15.288 -3.640
259 HH11 ARG 35 HH11 ARG 35 61.058 -18.639 -3.925
260 HH12 ARG 35 HH12 ARG 35 62.409 -19.060 -4.920
261 HH21 ARG 35 HH21 ARG 35 63.768 -15.840 -4.952
262 HH22 ARG 35 HH22 ARG 35 63.948 -17.471 -5.504
263 HA PRO 36 HA PRO 36 64.263 -12.525 1.114
264 HB2 PRO 36 HB3 PRO 36 64.429 -10.607 -0.757
265 HB3 PRO 36 HB2 PRO 36 65.489 -12.023 -0.784
266 HG2 PRO 36 HG3 PRO 36 62.980 -11.511 -2.339
267 HG3 PRO 36 HG2 PRO 36 64.533 -12.148 -2.910
268 HD2 PRO 36 HD3 PRO 36 62.412 -13.743 -2.335
269 HD3 PRO 36 HD2 PRO 36 64.096 -14.269 -2.122
270 HA PRO 37 HA PRO 37 60.150 -10.913 2.285
271 HB2 PRO 37 HB3 PRO 37 61.462 -9.359 4.292
272 HB3 PRO 37 HB2 PRO 37 60.501 -10.827 4.506
273 HG2 PRO 37 HG3 PRO 37 63.416 -10.488 4.451
274 HG3 PRO 37 HG2 PRO 37 62.450 -11.803 5.130
275 HD2 PRO 37 HD3 PRO 37 63.953 -12.043 2.867
276 HD3 PRO 37 HD2 PRO 37 62.495 -13.002 3.179
277 HA PRO 38 HA PRO 38 60.398 -7.022 0.180
278 HB2 PRO 38 HB3 PRO 38 58.029 -5.960 0.912
279 HB3 PRO 38 HB2 PRO 38 58.148 -7.319 -0.215
280 HG2 PRO 38 HG3 PRO 38 57.530 -7.342 2.715
281 HG3 PRO 38 HG2 PRO 38 56.750 -8.233 1.399
282 HD2 PRO 38 HD3 PRO 38 58.600 -9.351 3.036
283 HD3 PRO 38 HD2 PRO 38 58.390 -9.841 1.343
284 H SER 39 H SER 39 59.477 -4.607 0.902
285 HA SER 39 HA SER 39 60.349 -3.987 3.605
286 HB2 SER 39 HB3 SER 39 62.065 -2.448 2.972
287 HB3 SER 39 HB2 SER 39 62.395 -3.948 2.109
288 HG SER 39 HG SER 39 61.327 -2.991 0.287
Start of MODEL 8
1 H1 HIS 1 H1 HIS 1 65.338 16.610 9.670
2 H2 HIS 1 H2 HIS 1 65.586 16.005 11.255
3 H3 HIS 1 H3 HIS 1 66.863 16.797 10.427
4 HA HIS 1 HA HIS 1 65.668 18.079 12.184
5 HB2 HIS 1 HB3 HIS 1 65.836 20.122 10.832
6 HB3 HIS 1 HB2 HIS 1 67.184 19.039 10.500
7 HD1 HIS 1 HD1 HIS 1 64.013 20.353 8.958
8 HD2 HIS 1 HD2 HIS 1 67.363 18.140 7.888
9 HE1 HIS 1 HE1 HIS 1 63.920 20.158 6.453
10 HE2 HIS 1 HE2 HIS 1 66.000 18.887 5.822
11 H GLY 2 H GLY 2 63.612 16.244 11.152
12 HA2 GLY 2 HA3 GLY 2 61.287 17.111 11.933
13 HA3 GLY 2 HA2 GLY 2 61.432 18.095 10.485
14 H GLU 3 H GLU 3 60.941 17.229 8.533
15 HA GLU 3 HA GLU 3 60.421 14.338 8.414
16 HB2 GLU 3 HB3 GLU 3 58.389 16.109 8.596
17 HB3 GLU 3 HB2 GLU 3 58.612 16.085 6.853
18 HG2 GLU 3 HG3 GLU 3 57.740 14.039 6.646
19 HG3 GLU 3 HG2 GLU 3 58.559 13.435 8.084
20 H GLY 4 H GLY 4 62.112 13.774 7.138
21 HA2 GLY 4 HA3 GLY 4 62.549 15.297 4.660
22 HA3 GLY 4 HA2 GLY 4 63.703 14.194 5.397
23 H THR 5 H THR 5 63.318 11.914 5.233
24 HA THR 5 HA THR 5 63.022 10.088 3.895
25 HB THR 5 HB THR 5 60.911 10.200 5.197
26 HG1 THR 5 HG1 THR 5 61.297 8.476 3.725
27 HG21 THR 5 HG21 THR 5 58.843 10.794 3.853
28 HG22 THR 5 HG22 THR 5 59.927 11.700 2.799
29 HG23 THR 5 HG23 THR 5 59.792 12.131 4.504
30 H PHE 6 H PHE 6 61.340 9.479 1.808
31 HA PHE 6 HA PHE 6 62.062 11.456 -0.254
32 HB2 PHE 6 HB3 PHE 6 62.343 9.466 -1.798
33 HB3 PHE 6 HB2 PHE 6 63.578 9.649 -0.559
34 HD1 PHE 6 HD2 PHE 6 63.280 8.274 1.594
35 HD2 PHE 6 HD1 PHE 6 61.219 7.457 -2.038
36 HE1 PHE 6 HE2 PHE 6 62.858 5.973 2.355
37 HE2 PHE 6 HE1 PHE 6 60.791 5.154 -1.283
38 HZ PHE 6 HZ PHE 6 61.612 4.409 0.916
39 H THR 7 H THR 7 59.898 8.789 0.619
40 HA THR 7 HA THR 7 57.792 10.093 -0.964
41 HB THR 7 HB THR 7 58.032 7.097 -0.763
42 HG1 THR 7 HG1 THR 7 59.172 7.073 -2.611
43 HG21 THR 7 HG21 THR 7 56.275 8.971 -2.184
44 HG22 THR 7 HG22 THR 7 55.986 7.313 -1.649
45 HG23 THR 7 HG23 THR 7 56.878 7.618 -3.140
46 H SER 8 H SER 8 55.650 9.767 -0.208
47 HA SER 8 HA SER 8 55.526 8.950 2.620
48 HB2 SER 8 HB3 SER 8 53.984 10.643 3.051
49 HB3 SER 8 HB2 SER 8 55.063 11.412 1.887
50 HG SER 8 HG SER 8 53.555 11.012 0.276
51 H ASP 9 H ASP 9 54.476 8.177 -0.503
52 HA ASP 9 HA ASP 9 52.060 6.820 0.441
53 HB2 ASP 9 HB3 ASP 9 53.045 7.773 -2.178
54 HB3 ASP 9 HB2 ASP 9 52.198 6.229 -2.215
55 H LEU 10 H LEU 10 54.571 5.930 1.344
56 HA LEU 10 HA LEU 10 54.564 3.268 0.142
57 HB2 LEU 10 HB3 LEU 10 56.905 3.049 1.032
58 HB3 LEU 10 HB2 LEU 10 56.685 4.095 -0.357
59 HG LEU 10 HG LEU 10 57.000 6.060 0.931
60 HD11 LEU 10 HD11 LEU 10 55.722 5.673 2.879
61 HD12 LEU 10 HD12 LEU 10 57.383 5.897 3.424
62 HD13 LEU 10 HD13 LEU 10 56.698 4.276 3.331
63 HD21 LEU 10 HD21 LEU 10 59.064 4.956 0.394
64 HD22 LEU 10 HD22 LEU 10 58.930 3.927 1.821
65 HD23 LEU 10 HD23 LEU 10 59.195 5.663 2.006
66 H SER 11 H SER 11 53.380 4.873 2.546
67 HA SER 11 HA SER 11 53.867 2.774 4.516
68 HB2 SER 11 HB3 SER 11 54.709 4.844 5.386
69 HB3 SER 11 HB2 SER 11 53.259 5.699 4.859
70 H LYS 12 H LYS 12 51.570 4.732 2.840
71 HA LYS 12 HA LYS 12 49.367 3.158 3.979
72 HB2 LYS 12 HB3 LYS 12 49.629 6.040 3.241
73 HB3 LYS 12 HB2 LYS 12 48.068 5.247 3.243
74 HG2 LYS 12 HG3 LYS 12 47.971 5.160 5.493
75 HG3 LYS 12 HG2 LYS 12 49.696 4.791 5.613
76 HD2 LYS 12 HD3 LYS 12 49.154 6.969 6.620
77 HD3 LYS 12 HD2 LYS 12 50.251 7.126 5.246
78 HE2 LYS 12 HE2 LYS 12 48.746 8.262 4.013
79 HE3 LYS 12 HE3 LYS 12 47.390 7.293 4.588
80 HZ1 LYS 12 HZ1 LYS 12 47.827 9.842 5.278
81 HZ2 LYS 12 HZ2 LYS 12 48.569 9.040 6.569
82 HZ3 LYS 12 HZ3 LYS 12 46.941 8.745 6.215
83 H GLN 13 H GLN 13 51.102 3.933 1.228
84 HA GLN 13 HA GLN 13 48.888 3.029 -0.477
85 HB2 GLN 13 HB3 GLN 13 49.372 5.378 -0.849
86 HB3 GLN 13 HB2 GLN 13 51.057 4.994 -1.153
87 HG2 GLN 13 HG3 GLN 13 50.670 4.427 -3.272
88 HG3 GLN 13 HG2 GLN 13 49.221 3.514 -2.857
89 HE21 GLN 13 HE21 GLN 13 49.698 5.326 -5.084
90 HE22 GLN 13 HE22 GLN 13 48.490 6.568 -4.963
91 H MET 14 H MET 14 52.397 2.949 0.050
92 HA MET 14 HA MET 14 52.450 0.718 -1.892
93 HB2 MET 14 HB3 MET 14 54.442 1.422 -2.594
94 HB3 MET 14 HB2 MET 14 54.290 2.823 -1.555
95 HG2 MET 14 HG3 MET 14 55.441 1.704 0.220
96 HG3 MET 14 HG2 MET 14 55.445 0.184 -0.688
97 HE1 MET 14 HE1 MET 14 58.871 0.201 -1.901
98 HE2 MET 14 HE2 MET 14 57.405 -0.639 -1.397
99 HE3 MET 14 HE3 MET 14 58.384 0.220 -0.206
100 H GLU 15 H GLU 15 52.500 1.587 1.372
101 HA GLU 15 HA GLU 15 53.567 -0.976 2.201
102 HB2 GLU 15 HB3 GLU 15 53.276 1.585 3.448
103 HB3 GLU 15 HB2 GLU 15 52.473 0.367 4.426
104 HG2 GLU 15 HG3 GLU 15 54.526 -0.958 4.451
105 HG3 GLU 15 HG2 GLU 15 55.333 0.274 3.481
106 H GLU 16 H GLU 16 50.538 0.890 1.895
107 HA GLU 16 HA GLU 16 48.812 -0.821 3.272
108 HB2 GLU 16 HB3 GLU 16 48.554 1.254 1.324
109 HB3 GLU 16 HB2 GLU 16 47.527 -0.089 0.842
110 HG2 GLU 16 HG3 GLU 16 46.497 -0.081 3.067
111 HG3 GLU 16 HG2 GLU 16 47.492 1.303 3.508
112 H GLU 17 H GLU 17 50.263 -1.044 0.107
113 HA GLU 17 HA GLU 17 49.078 -3.627 -0.480
114 HB2 GLU 17 HB3 GLU 17 49.785 -3.295 -2.633
115 HB3 GLU 17 HB2 GLU 17 49.690 -1.621 -2.119
116 HG2 GLU 17 HG3 GLU 17 52.113 -1.752 -1.550
117 HG3 GLU 17 HG2 GLU 17 52.146 -3.333 -2.301
118 H DAL 18 H ALA 18 52.077 -2.126 0.501
119 HA DAL 18 HA ALA 18 53.932 -2.963 1.517
120 HB1 DAL 18 HB1 ALA 18 54.955 -3.592 -0.392
121 HB2 DAL 18 HB2 ALA 18 53.568 -4.526 -0.951
122 HB3 DAL 18 HB3 ALA 18 54.673 -5.216 0.237
123 H VAL 19 H VAL 19 51.657 -3.548 2.863
124 HA VAL 19 HA VAL 19 52.404 -5.769 4.459
125 HB VAL 19 HB VAL 19 49.734 -4.345 4.360
126 HG11 VAL 19 HG11 VAL 19 49.713 -5.083 6.799
127 HG12 VAL 19 HG12 VAL 19 51.008 -6.194 6.353
128 HG13 VAL 19 HG13 VAL 19 49.428 -6.326 5.581
129 HG21 VAL 19 HG21 VAL 19 50.609 -2.616 5.467
130 HG22 VAL 19 HG22 VAL 19 52.181 -3.236 4.963
131 HG23 VAL 19 HG23 VAL 19 51.531 -3.669 6.543
132 H ARG 20 H ARG 20 50.112 -5.258 1.845
133 HA ARG 20 HA ARG 20 48.719 -7.699 2.077
134 HB2 ARG 20 HB3 ARG 20 49.216 -6.010 -0.385
135 HB3 ARG 20 HB2 ARG 20 48.030 -7.301 -0.260
136 HG2 ARG 20 HG3 ARG 20 47.784 -5.265 1.821
137 HG3 ARG 20 HG2 ARG 20 47.540 -4.658 0.183
138 HD2 ARG 20 HD3 ARG 20 45.813 -6.268 -0.223
139 HD3 ARG 20 HD2 ARG 20 46.145 -7.080 1.306
140 HE ARG 20 HE ARG 20 45.514 -4.585 2.095
141 HH11 ARG 20 HH11 ARG 20 43.928 -6.842 -0.046
142 HH12 ARG 20 HH12 ARG 20 42.339 -6.253 0.312
143 HH21 ARG 20 HH21 ARG 20 43.425 -3.812 2.564
144 HH22 ARG 20 HH22 ARG 20 42.053 -4.535 1.792
145 H LEU 21 H LEU 21 51.685 -6.759 0.393
146 HA LEU 21 HA LEU 21 51.981 -9.481 -0.634
147 HB2 LEU 21 HB3 LEU 21 53.801 -7.111 -0.992
148 HB3 LEU 21 HB2 LEU 21 53.882 -8.635 -1.863
149 HG LEU 21 HG LEU 21 51.641 -6.637 -1.994
150 HD11 LEU 21 HD11 LEU 21 54.040 -6.417 -3.192
151 HD12 LEU 21 HD12 LEU 21 52.538 -5.834 -3.910
152 HD13 LEU 21 HD13 LEU 21 53.190 -7.404 -4.382
153 HD21 LEU 21 HD21 LEU 21 51.963 -9.392 -3.086
154 HD22 LEU 21 HD22 LEU 21 51.041 -8.192 -3.994
155 HD23 LEU 21 HD23 LEU 21 50.550 -8.627 -2.356
156 H TYR 22 H TYR 22 53.179 -7.417 1.872
157 HA TYR 22 HA TYR 22 55.503 -8.924 2.525
158 HB2 TYR 22 HB3 TYR 22 55.469 -6.735 3.379
159 HB3 TYR 22 HB2 TYR 22 53.810 -6.868 3.914
160 HD1 TYR 22 HD1 TYR 22 56.748 -9.064 4.550
161 HD2 TYR 22 HD2 TYR 22 53.788 -6.467 6.139
162 HE1 TYR 22 HE1 TYR 22 57.498 -9.610 6.826
163 HE2 TYR 22 HE2 TYR 22 54.517 -6.995 8.410
164 HH TYR 22 HH TYR 22 55.769 -9.102 9.509
165 H ILE 23 H ILE 23 52.199 -8.702 3.671
166 HA ILE 23 HA ILE 23 52.394 -10.829 5.530
167 HB ILE 23 HB ILE 23 49.991 -9.647 4.119
168 HG12 ILE 23 HG12 ILE 23 51.340 -8.175 5.683
169 HG13 ILE 23 HG13 ILE 23 49.642 -8.366 6.098
170 HG21 ILE 23 HG21 ILE 23 48.777 -10.726 6.087
171 HG22 ILE 23 HG22 ILE 23 50.224 -11.719 6.261
172 HG23 ILE 23 HG23 ILE 23 49.294 -11.770 4.764
173 HD11 ILE 23 HD11 ILE 23 50.909 -8.494 8.100
174 HD12 ILE 23 HD12 ILE 23 52.010 -9.679 7.400
175 HD13 ILE 23 HD13 ILE 23 50.336 -10.121 7.735
176 H GLN 24 H GLN 24 51.802 -10.511 2.086
177 HA GLN 24 HA GLN 24 50.878 -13.164 1.606
178 HB2 GLN 24 HB3 GLN 24 50.665 -11.355 -0.062
179 HB3 GLN 24 HB2 GLN 24 52.412 -11.291 -0.215
180 HG2 GLN 24 HG3 GLN 24 51.021 -13.870 -0.715
181 HG3 GLN 24 HG2 GLN 24 50.958 -12.603 -1.944
182 HE21 GLN 24 HE21 GLN 24 52.628 -15.240 -0.892
183 HE22 GLN 24 HE22 GLN 24 54.148 -14.941 -1.659
184 H TRP 25 H TRP 25 54.015 -11.566 1.495
185 HA TRP 25 HA TRP 25 55.678 -13.708 0.840
186 HB2 TRP 25 HB3 TRP 25 56.549 -11.449 0.931
187 HB3 TRP 25 HB2 TRP 25 56.120 -11.307 2.635
188 HD1 TRP 25 HD1 TRP 25 58.653 -13.051 0.345
189 HE1 TRP 25 HE1 TRP 25 60.691 -13.712 1.762
190 HE3 TRP 25 HE3 TRP 25 56.873 -11.779 4.947
191 HZ2 TRP 25 HZ2 TRP 25 61.456 -13.675 4.488
192 HZ3 TRP 25 HZ3 TRP 25 58.321 -12.103 6.907
193 HH2 TRP 25 HH2 TRP 25 60.557 -13.047 6.678
194 H LEU 26 H LEU 26 54.038 -12.792 3.753
195 HA LEU 26 HA LEU 26 55.383 -14.740 5.413
196 HB2 LEU 26 HB3 LEU 26 53.370 -12.583 5.806
197 HB3 LEU 26 HB2 LEU 26 53.375 -13.897 6.956
198 HG LEU 26 HG LEU 26 55.457 -11.806 6.484
199 HD11 LEU 26 HD11 LEU 26 53.630 -11.646 8.220
200 HD12 LEU 26 HD12 LEU 26 55.280 -11.471 8.813
201 HD13 LEU 26 HD13 LEU 26 54.418 -12.994 9.040
202 HD21 LEU 26 HD21 LEU 26 55.911 -14.518 7.707
203 HD22 LEU 26 HD22 LEU 26 56.978 -13.134 7.946
204 HD23 LEU 26 HD23 LEU 26 56.751 -13.806 6.332
205 H LYS 27 H LYS 27 52.371 -14.380 3.647
206 HA LYS 27 HA LYS 27 50.768 -16.286 4.814
207 HB2 LYS 27 HB3 LYS 27 50.949 -15.012 2.221
208 HB3 LYS 27 HB2 LYS 27 50.416 -16.678 2.060
209 HG2 LYS 27 HG3 LYS 27 48.591 -16.272 3.604
210 HG3 LYS 27 HG2 LYS 27 49.147 -14.616 3.850
211 HD2 LYS 27 HD3 LYS 27 48.736 -15.344 1.041
212 HD3 LYS 27 HD2 LYS 27 47.271 -15.391 2.023
213 HE2 LYS 27 HE2 LYS 27 48.430 -13.052 2.832
214 HE3 LYS 27 HE3 LYS 27 48.872 -13.108 1.125
215 HZ1 LYS 27 HZ1 LYS 27 46.855 -12.164 0.899
216 HZ2 LYS 27 HZ2 LYS 27 46.260 -12.780 2.356
217 HZ3 LYS 27 HZ3 LYS 27 46.304 -13.763 0.980
218 H GLU 28 H GLU 28 53.558 -16.750 2.765
219 HA GLU 28 HA GLU 28 53.143 -19.636 2.682
220 HB2 GLU 28 HB3 GLU 28 55.266 -19.577 1.299
221 HB3 GLU 28 HB2 GLU 28 53.875 -18.751 0.611
222 HG2 GLU 28 HG3 GLU 28 54.812 -16.692 0.828
223 HG3 GLU 28 HG2 GLU 28 55.747 -17.146 2.252
224 H GLY 29 H GLY 29 55.046 -17.247 4.358
225 HA2 GLY 29 HA3 GLY 29 55.850 -18.064 6.567
226 HA3 GLY 29 HA2 GLY 29 56.541 -19.425 5.680
227 H GLY 30 H GLY 30 56.567 -16.299 4.241
228 HA2 GLY 30 HA3 GLY 30 58.532 -15.388 3.267
229 HA3 GLY 30 HA2 GLY 30 58.438 -14.709 4.873
230 HA PRO 31 HA PRO 31 62.408 -16.303 5.721
231 HB2 PRO 31 HB3 PRO 31 62.290 -16.603 8.399
232 HB3 PRO 31 HB2 PRO 31 62.241 -15.012 7.629
233 HG2 PRO 31 HG3 PRO 31 59.989 -16.660 8.706
234 HG3 PRO 31 HG2 PRO 31 60.264 -14.916 8.844
235 HD2 PRO 31 HD3 PRO 31 58.558 -16.057 7.048
236 HD3 PRO 31 HD2 PRO 31 59.332 -14.508 6.804
237 H SER 32 H SER 32 61.059 -18.366 4.599
238 HA SER 32 HA SER 32 62.288 -20.638 5.681
239 HB2 SER 32 HB3 SER 32 60.477 -20.331 7.405
240 HB3 SER 32 HB2 SER 32 59.297 -20.627 6.130
241 HG SER 32 HG SER 32 60.364 -22.673 5.806
242 H SER 33 H SER 33 61.953 -19.373 3.155
243 HA SER 33 HA SER 33 61.280 -21.663 1.579
244 HB2 SER 33 HB3 SER 33 59.076 -20.274 2.149
245 HB3 SER 33 HB2 SER 33 59.648 -19.291 0.796
246 HG SER 33 HG SER 33 58.721 -21.918 0.832
247 H GLY 34 H GLY 34 63.518 -19.812 2.050
248 HA2 GLY 34 HA3 GLY 34 65.114 -18.640 0.876
249 HA3 GLY 34 HA2 GLY 34 64.630 -19.676 -0.466
250 H ARG 35 H ARG 35 62.673 -17.222 1.157
251 HA ARG 35 HA ARG 35 62.587 -15.735 -1.387
252 HB2 ARG 35 HB3 ARG 35 60.482 -16.955 -0.198
253 HB3 ARG 35 HB2 ARG 35 60.383 -15.368 0.551
254 HG2 ARG 35 HG3 ARG 35 59.126 -14.903 -1.252
255 HG3 ARG 35 HG2 ARG 35 60.696 -14.646 -2.018
256 HD2 ARG 35 HD3 ARG 35 60.606 -17.131 -2.613
257 HD3 ARG 35 HD2 ARG 35 58.899 -17.048 -2.177
258 HE ARG 35 HE ARG 35 59.716 -15.043 -4.070
259 HH11 ARG 35 HH11 ARG 35 58.580 -18.319 -3.679
260 HH12 ARG 35 HH12 ARG 35 57.919 -18.413 -5.278
261 HH21 ARG 35 HH21 ARG 35 58.850 -15.164 -6.173
262 HH22 ARG 35 HH22 ARG 35 58.073 -16.621 -6.694
263 HA PRO 36 HA PRO 36 64.295 -12.431 1.100
264 HB2 PRO 36 HB3 PRO 36 64.424 -10.544 -0.797
265 HB3 PRO 36 HB2 PRO 36 65.504 -11.946 -0.817
266 HG2 PRO 36 HG3 PRO 36 62.977 -11.485 -2.359
267 HG3 PRO 36 HG2 PRO 36 64.533 -12.111 -2.934
268 HD2 PRO 36 HD3 PRO 36 62.423 -13.716 -2.312
269 HD3 PRO 36 HD2 PRO 36 64.117 -14.229 -2.135
270 HA PRO 37 HA PRO 37 60.144 -10.895 2.231
271 HB2 PRO 37 HB3 PRO 37 61.392 -9.281 4.226
272 HB3 PRO 37 HB2 PRO 37 60.483 -10.780 4.453
273 HG2 PRO 37 HG3 PRO 37 63.386 -10.336 4.405
274 HG3 PRO 37 HG2 PRO 37 62.463 -11.672 5.105
275 HD2 PRO 37 HD3 PRO 37 63.980 -11.900 2.848
276 HD3 PRO 37 HD2 PRO 37 62.560 -12.905 3.176
277 HA PRO 38 HA PRO 38 60.296 -7.027 0.073
278 HB2 PRO 38 HB3 PRO 38 57.912 -6.000 0.817
279 HB3 PRO 38 HB2 PRO 38 58.047 -7.368 -0.296
280 HG2 PRO 38 HG3 PRO 38 57.458 -7.373 2.639
281 HG3 PRO 38 HG2 PRO 38 56.682 -8.292 1.340
282 HD2 PRO 38 HD3 PRO 38 58.566 -9.364 2.966
283 HD3 PRO 38 HD2 PRO 38 58.357 -9.868 1.276
284 H SER 39 H SER 39 59.347 -4.620 0.760
285 HA SER 39 HA SER 39 61.132 -3.823 2.899
286 HB2 SER 39 HB3 SER 39 60.046 -1.492 2.126
287 HB3 SER 39 HB2 SER 39 61.363 -2.261 1.242
288 HG SER 39 HG SER 39 58.734 -1.890 0.524
Start of MODEL 9
1 H1 HIS 1 H1 HIS 1 65.553 14.598 7.990
2 H2 HIS 1 H2 HIS 1 66.761 14.332 9.179
3 H3 HIS 1 H3 HIS 1 65.157 14.717 9.653
4 HA HIS 1 HA HIS 1 66.157 12.257 8.398
5 HB2 HIS 1 HB3 HIS 1 65.298 13.153 11.077
6 HB3 HIS 1 HB2 HIS 1 64.647 11.596 10.572
7 HD1 HIS 1 HD1 HIS 1 68.127 12.926 9.873
8 HD2 HIS 1 HD2 HIS 1 66.235 9.901 12.000
9 HE1 HIS 1 HE1 HIS 1 69.976 11.472 10.762
10 HE2 HIS 1 HE2 HIS 1 68.811 9.693 12.112
11 H GLY 2 H GLY 2 63.146 13.438 9.907
12 HA2 GLY 2 HA3 GLY 2 61.448 11.733 8.479
13 HA3 GLY 2 HA2 GLY 2 60.953 13.219 9.277
14 H GLU 3 H GLU 3 59.560 12.712 7.134
15 HA GLU 3 HA GLU 3 58.832 13.638 5.188
16 HB2 GLU 3 HB3 GLU 3 60.155 15.683 6.381
17 HB3 GLU 3 HB2 GLU 3 61.074 15.535 4.889
18 HG2 GLU 3 HG3 GLU 3 59.121 15.900 3.569
19 HG3 GLU 3 HG2 GLU 3 58.082 15.819 4.991
20 H GLY 4 H GLY 4 62.368 14.027 4.897
21 HA2 GLY 4 HA3 GLY 4 63.866 12.911 3.529
22 HA3 GLY 4 HA2 GLY 4 62.569 11.826 3.052
23 H THR 5 H THR 5 62.390 11.858 0.914
24 HA THR 5 HA THR 5 61.805 14.335 -0.433
25 HB THR 5 HB THR 5 63.799 13.181 -2.088
26 HG1 THR 5 HG1 THR 5 64.817 12.249 -0.379
27 HG21 THR 5 HG21 THR 5 64.355 15.610 -0.467
28 HG22 THR 5 HG22 THR 5 63.057 15.643 -1.662
29 HG23 THR 5 HG23 THR 5 64.707 15.274 -2.162
30 H PHE 6 H PHE 6 62.682 10.920 -0.890
31 HA PHE 6 HA PHE 6 60.406 10.686 -2.747
32 HB2 PHE 6 HB3 PHE 6 61.743 8.852 -3.866
33 HB3 PHE 6 HB2 PHE 6 62.353 10.485 -4.103
34 HD1 PHE 6 HD2 PHE 6 64.345 11.244 -2.820
35 HD2 PHE 6 HD1 PHE 6 63.034 7.196 -2.794
36 HE1 PHE 6 HE2 PHE 6 66.549 10.541 -1.981
37 HE2 PHE 6 HE1 PHE 6 65.233 6.485 -1.953
38 HZ PHE 6 HZ PHE 6 66.995 8.158 -1.545
39 H THR 7 H THR 7 60.406 10.262 0.100
40 HA THR 7 HA THR 7 59.466 7.501 0.105
41 HB THR 7 HB THR 7 61.446 8.567 2.127
42 HG1 THR 7 HG1 THR 7 62.530 7.915 0.320
43 HG21 THR 7 HG21 THR 7 61.332 5.906 2.567
44 HG22 THR 7 HG22 THR 7 59.642 6.260 2.202
45 HG23 THR 7 HG23 THR 7 60.462 7.113 3.512
46 H SER 8 H SER 8 57.451 7.581 0.804
47 HA SER 8 HA SER 8 56.681 8.602 3.298
48 HB2 SER 8 HB3 SER 8 57.047 10.763 1.953
49 HB3 SER 8 HB2 SER 8 55.602 10.305 1.053
50 HG SER 8 HG SER 8 54.550 10.183 3.165
51 H ASP 9 H ASP 9 55.675 7.853 -0.001
52 HA ASP 9 HA ASP 9 53.133 6.788 1.002
53 HB2 ASP 9 HB3 ASP 9 54.128 7.645 -1.687
54 HB3 ASP 9 HB2 ASP 9 52.848 6.439 -1.608
55 H LEU 10 H LEU 10 55.628 5.501 1.569
56 HA LEU 10 HA LEU 10 55.062 2.967 0.232
57 HB2 LEU 10 HB3 LEU 10 57.434 2.337 0.731
58 HB3 LEU 10 HB2 LEU 10 57.201 3.540 -0.521
59 HG LEU 10 HG LEU 10 58.015 5.291 0.846
60 HD11 LEU 10 HD11 LEU 10 56.938 4.913 2.921
61 HD12 LEU 10 HD12 LEU 10 58.672 4.850 3.239
62 HD13 LEU 10 HD13 LEU 10 57.740 3.356 3.135
63 HD21 LEU 10 HD21 LEU 10 60.223 4.388 1.631
64 HD22 LEU 10 HD22 LEU 10 59.805 4.011 -0.040
65 HD23 LEU 10 HD23 LEU 10 59.631 2.781 1.212
66 H SER 11 H SER 11 54.380 4.500 2.823
67 HA SER 11 HA SER 11 54.828 2.236 4.611
68 HB2 SER 11 HB3 SER 11 56.031 4.129 5.473
69 HB3 SER 11 HB2 SER 11 54.645 5.182 5.195
70 H LYS 12 H LYS 12 52.625 4.536 3.295
71 HA LYS 12 HA LYS 12 50.381 3.183 4.623
72 HB2 LYS 12 HB3 LYS 12 50.961 6.054 4.069
73 HB3 LYS 12 HB2 LYS 12 49.305 5.488 4.142
74 HG2 LYS 12 HG3 LYS 12 49.359 5.228 6.374
75 HG3 LYS 12 HG2 LYS 12 51.002 4.577 6.315
76 HD2 LYS 12 HD3 LYS 12 51.027 6.664 7.531
77 HD3 LYS 12 HD2 LYS 12 51.865 6.871 5.991
78 HE2 LYS 12 HE2 LYS 12 50.276 8.265 5.157
79 HE3 LYS 12 HE3 LYS 12 48.966 7.470 6.033
80 HZ1 LYS 12 HZ1 LYS 12 49.162 9.524 7.061
81 HZ2 LYS 12 HZ2 LYS 12 50.852 9.521 7.006
82 HZ3 LYS 12 HZ3 LYS 12 50.042 8.508 8.091
83 H GLN 13 H GLN 13 51.864 4.036 1.733
84 HA GLN 13 HA GLN 13 49.382 3.513 0.249
85 HB2 GLN 13 HB3 GLN 13 50.132 5.800 -0.038
86 HB3 GLN 13 HB2 GLN 13 51.717 5.234 -0.532
87 HG2 GLN 13 HG3 GLN 13 50.980 5.392 -2.620
88 HG3 GLN 13 HG2 GLN 13 50.020 3.953 -2.279
89 HE21 GLN 13 HE21 GLN 13 49.979 7.466 -2.303
90 HE22 GLN 13 HE22 GLN 13 48.261 7.629 -2.503
91 H MET 14 H MET 14 52.882 2.937 0.376
92 HA MET 14 HA MET 14 52.426 0.869 -1.690
93 HB2 MET 14 HB3 MET 14 54.390 1.389 -2.596
94 HB3 MET 14 HB2 MET 14 54.555 2.703 -1.448
95 HG2 MET 14 HG3 MET 14 55.754 1.310 0.073
96 HG3 MET 14 HG2 MET 14 55.424 -0.125 -0.909
97 HE1 MET 14 HE1 MET 14 59.274 0.325 -1.310
98 HE2 MET 14 HE2 MET 14 58.032 -0.925 -1.380
99 HE3 MET 14 HE3 MET 14 58.126 0.146 0.016
100 H GLU 15 H GLU 15 52.906 1.477 1.584
101 HA GLU 15 HA GLU 15 53.744 -1.243 2.140
102 HB2 GLU 15 HB3 GLU 15 53.946 1.233 3.534
103 HB3 GLU 15 HB2 GLU 15 53.044 0.107 4.535
104 HG2 GLU 15 HG3 GLU 15 54.875 -1.531 4.255
105 HG3 GLU 15 HG2 GLU 15 55.790 -0.313 3.364
106 H GLU 16 H GLU 16 50.963 0.976 2.253
107 HA GLU 16 HA GLU 16 49.175 -0.571 3.729
108 HB2 GLU 16 HB3 GLU 16 49.004 1.606 1.896
109 HB3 GLU 16 HB2 GLU 16 47.787 0.421 1.440
110 HG2 GLU 16 HG3 GLU 16 46.952 0.433 3.756
111 HG3 GLU 16 HG2 GLU 16 48.123 1.688 4.148
112 H GLU 17 H GLU 17 50.356 -0.873 0.475
113 HA GLU 17 HA GLU 17 48.820 -3.283 -0.077
114 HB2 GLU 17 HB3 GLU 17 49.298 -2.913 -2.281
115 HB3 GLU 17 HB2 GLU 17 49.451 -1.265 -1.705
116 HG2 GLU 17 HG3 GLU 17 51.909 -1.755 -1.400
117 HG3 GLU 17 HG2 GLU 17 51.633 -3.221 -2.315
118 H DAL 18 H ALA 18 52.045 -2.096 0.559
119 HA DAL 18 HA ALA 18 53.932 -3.120 1.308
120 HB1 DAL 18 HB1 ALA 18 53.098 -4.600 -1.098
121 HB2 DAL 18 HB2 ALA 18 54.280 -5.409 -0.071
122 HB3 DAL 18 HB3 ALA 18 54.629 -3.809 -0.724
123 H VAL 19 H VAL 19 51.587 -3.618 2.791
124 HA VAL 19 HA VAL 19 52.421 -5.818 4.384
125 HB VAL 19 HB VAL 19 49.810 -4.283 4.401
126 HG11 VAL 19 HG11 VAL 19 49.193 -6.085 5.643
127 HG12 VAL 19 HG12 VAL 19 50.025 -5.171 6.901
128 HG13 VAL 19 HG13 VAL 19 50.853 -6.491 6.079
129 HG21 VAL 19 HG21 VAL 19 52.258 -3.294 4.941
130 HG22 VAL 19 HG22 VAL 19 51.812 -3.921 6.527
131 HG23 VAL 19 HG23 VAL 19 50.778 -2.735 5.723
132 H ARG 20 H ARG 20 50.089 -5.363 1.813
133 HA ARG 20 HA ARG 20 48.673 -7.795 2.169
134 HB2 ARG 20 HB3 ARG 20 49.062 -6.274 -0.415
135 HB3 ARG 20 HB2 ARG 20 47.764 -7.396 -0.030
136 HG2 ARG 20 HG3 ARG 20 48.059 -5.068 1.762
137 HG3 ARG 20 HG2 ARG 20 47.510 -4.739 0.117
138 HD2 ARG 20 HD3 ARG 20 46.151 -7.026 1.257
139 HD3 ARG 20 HD2 ARG 20 45.958 -5.591 2.264
140 HE ARG 20 HE ARG 20 45.478 -5.134 -0.538
141 HH11 ARG 20 HH11 ARG 20 44.059 -6.121 2.494
142 HH12 ARG 20 HH12 ARG 20 42.448 -5.696 2.023
143 HH21 ARG 20 HH21 ARG 20 43.360 -4.573 -1.159
144 HH22 ARG 20 HH22 ARG 20 42.051 -4.817 -0.051
145 H LEU 21 H LEU 21 51.529 -6.836 0.339
146 HA LEU 21 HA LEU 21 51.849 -9.538 -0.719
147 HB2 LEU 21 HB3 LEU 21 53.779 -7.265 -1.034
148 HB3 LEU 21 HB2 LEU 21 53.562 -8.662 -2.078
149 HG LEU 21 HG LEU 21 51.550 -6.456 -1.711
150 HD11 LEU 21 HD11 LEU 21 52.393 -5.381 -3.517
151 HD12 LEU 21 HD12 LEU 21 52.933 -6.874 -4.285
152 HD13 LEU 21 HD13 LEU 21 53.885 -6.158 -2.985
153 HD21 LEU 21 HD21 LEU 21 50.133 -7.586 -3.038
154 HD22 LEU 21 HD22 LEU 21 51.052 -8.993 -2.500
155 HD23 LEU 21 HD23 LEU 21 51.428 -8.233 -4.047
156 H TYR 22 H TYR 22 53.077 -7.491 1.795
157 HA TYR 22 HA TYR 22 55.434 -8.958 2.387
158 HB2 TYR 22 HB3 TYR 22 55.360 -6.792 3.289
159 HB3 TYR 22 HB2 TYR 22 53.712 -6.976 3.840
160 HD1 TYR 22 HD1 TYR 22 56.700 -9.119 4.403
161 HD2 TYR 22 HD2 TYR 22 53.716 -6.603 6.073
162 HE1 TYR 22 HE1 TYR 22 57.493 -9.686 6.657
163 HE2 TYR 22 HE2 TYR 22 54.489 -7.152 8.325
164 HH TYR 22 HH TYR 22 56.561 -7.969 9.425
165 H ILE 23 H ILE 23 52.162 -8.830 3.643
166 HA ILE 23 HA ILE 23 52.444 -10.995 5.437
167 HB ILE 23 HB ILE 23 49.988 -9.848 4.086
168 HG12 ILE 23 HG12 ILE 23 51.335 -8.389 5.668
169 HG13 ILE 23 HG13 ILE 23 49.642 -8.617 6.088
170 HG21 ILE 23 HG21 ILE 23 49.043 -11.031 6.299
171 HG22 ILE 23 HG22 ILE 23 50.355 -12.136 5.890
172 HG23 ILE 23 HG23 ILE 23 49.082 -11.803 4.715
173 HD11 ILE 23 HD11 ILE 23 51.188 -10.645 7.351
174 HD12 ILE 23 HD12 ILE 23 50.229 -9.358 8.085
175 HD13 ILE 23 HD13 ILE 23 51.922 -9.074 7.672
176 H GLN 24 H GLN 24 51.835 -10.629 2.014
177 HA GLN 24 HA GLN 24 50.954 -13.284 1.468
178 HB2 GLN 24 HB3 GLN 24 50.808 -11.294 -0.098
179 HB3 GLN 24 HB2 GLN 24 52.528 -11.485 -0.383
180 HG2 GLN 24 HG3 GLN 24 51.405 -12.536 -2.173
181 HG3 GLN 24 HG2 GLN 24 52.061 -13.814 -1.147
182 HE21 GLN 24 HE21 GLN 24 50.724 -15.304 -0.346
183 HE22 GLN 24 HE22 GLN 24 49.003 -15.283 -0.503
184 H TRP 25 H TRP 25 54.069 -11.630 1.388
185 HA TRP 25 HA TRP 25 55.762 -13.740 0.692
186 HB2 TRP 25 HB3 TRP 25 56.612 -11.483 0.802
187 HB3 TRP 25 HB2 TRP 25 56.165 -11.344 2.499
188 HD1 TRP 25 HD1 TRP 25 58.734 -13.075 0.239
189 HE1 TRP 25 HE1 TRP 25 60.768 -13.703 1.673
190 HE3 TRP 25 HE3 TRP 25 56.915 -11.778 4.818
191 HZ2 TRP 25 HZ2 TRP 25 61.517 -13.633 4.402
192 HZ3 TRP 25 HZ3 TRP 25 58.351 -12.073 6.791
193 HH2 TRP 25 HH2 TRP 25 60.595 -12.999 6.586
194 H LEU 26 H LEU 26 54.126 -12.881 3.623
195 HA LEU 26 HA LEU 26 55.505 -14.832 5.253
196 HB2 LEU 26 HB3 LEU 26 53.442 -12.726 5.689
197 HB3 LEU 26 HB2 LEU 26 53.520 -14.044 6.831
198 HG LEU 26 HG LEU 26 55.556 -11.914 6.291
199 HD11 LEU 26 HD11 LEU 26 54.527 -13.021 8.889
200 HD12 LEU 26 HD12 LEU 26 53.735 -11.702 8.028
201 HD13 LEU 26 HD13 LEU 26 55.388 -11.507 8.613
202 HD21 LEU 26 HD21 LEU 26 56.875 -13.891 6.203
203 HD22 LEU 26 HD22 LEU 26 56.023 -14.595 7.575
204 HD23 LEU 26 HD23 LEU 26 57.075 -13.200 7.812
205 H LYS 27 H LYS 27 52.500 -14.503 3.476
206 HA LYS 27 HA LYS 27 50.905 -16.431 4.617
207 HB2 LYS 27 HB3 LYS 27 51.050 -15.088 2.095
208 HB3 LYS 27 HB2 LYS 27 50.698 -16.786 1.804
209 HG2 LYS 27 HG3 LYS 27 48.583 -16.442 2.337
210 HG3 LYS 27 HG2 LYS 27 49.065 -15.923 3.952
211 HD2 LYS 27 HD3 LYS 27 49.327 -13.644 3.179
212 HD3 LYS 27 HD2 LYS 27 48.970 -14.137 1.522
213 HE2 LYS 27 HE2 LYS 27 46.949 -13.261 2.271
214 HE3 LYS 27 HE3 LYS 27 46.745 -15.000 2.481
215 HZ1 LYS 27 HZ1 LYS 27 46.775 -14.825 4.726
216 HZ2 LYS 27 HZ2 LYS 27 46.182 -13.279 4.385
217 HZ3 LYS 27 HZ3 LYS 27 47.821 -13.494 4.740
218 H GLU 28 H GLU 28 53.755 -16.859 2.654
219 HA GLU 28 HA GLU 28 53.372 -19.753 2.560
220 HB2 GLU 28 HB3 GLU 28 55.775 -18.332 1.462
221 HB3 GLU 28 HB2 GLU 28 55.029 -19.829 0.916
222 HG2 GLU 28 HG3 GLU 28 53.015 -18.113 0.450
223 HG3 GLU 28 HG2 GLU 28 54.394 -17.034 0.242
224 H GLY 29 H GLY 29 55.188 -17.324 4.259
225 HA2 GLY 29 HA3 GLY 29 55.992 -18.114 6.474
226 HA3 GLY 29 HA2 GLY 29 56.728 -19.461 5.597
227 H GLY 30 H GLY 30 56.683 -16.339 4.149
228 HA2 GLY 30 HA3 GLY 30 58.634 -15.384 3.188
229 HA3 GLY 30 HA2 GLY 30 58.503 -14.698 4.788
230 HA PRO 31 HA PRO 31 62.504 -16.176 5.699
231 HB2 PRO 31 HB3 PRO 31 62.349 -16.499 8.375
232 HB3 PRO 31 HB2 PRO 31 62.277 -14.905 7.613
233 HG2 PRO 31 HG3 PRO 31 60.046 -16.609 8.644
234 HG3 PRO 31 HG2 PRO 31 60.278 -14.862 8.796
235 HD2 PRO 31 HD3 PRO 31 58.628 -16.025 6.966
236 HD3 PRO 31 HD2 PRO 31 59.376 -14.463 6.739
237 H SER 32 H SER 32 61.411 -18.254 4.498
238 HA SER 32 HA SER 32 62.586 -20.500 5.699
239 HB2 SER 32 HB3 SER 32 60.222 -20.006 6.940
240 HB3 SER 32 HB2 SER 32 59.682 -21.057 5.631
241 HG SER 32 HG SER 32 60.336 -22.165 7.584
242 H SER 33 H SER 33 60.066 -19.345 3.513
243 HA SER 33 HA SER 33 59.965 -21.547 1.792
244 HB2 SER 33 HB3 SER 33 58.470 -19.414 1.898
245 HB3 SER 33 HB2 SER 33 59.653 -18.736 0.772
246 HG SER 33 HG SER 33 57.623 -20.178 0.127
247 H GLY 34 H GLY 34 62.181 -18.826 1.938
248 HA2 GLY 34 HA3 GLY 34 64.478 -19.479 1.140
249 HA3 GLY 34 HA2 GLY 34 63.666 -19.995 -0.338
250 H ARG 35 H ARG 35 61.907 -17.430 0.367
251 HA ARG 35 HA ARG 35 63.600 -15.645 -1.217
252 HB2 ARG 35 HB3 ARG 35 61.513 -14.418 -1.689
253 HB3 ARG 35 HB2 ARG 35 61.411 -16.108 -2.169
254 HG2 ARG 35 HG3 ARG 35 60.449 -16.128 0.410
255 HG3 ARG 35 HG2 ARG 35 59.835 -14.614 -0.248
256 HD2 ARG 35 HD3 ARG 35 58.247 -16.405 -0.638
257 HD3 ARG 35 HD2 ARG 35 58.912 -15.831 -2.166
258 HE ARG 35 HE ARG 35 60.335 -18.078 -1.102
259 HH11 ARG 35 HH11 ARG 35 57.545 -17.112 -2.964
260 HH12 ARG 35 HH12 ARG 35 57.436 -18.616 -3.813
261 HH21 ARG 35 HH21 ARG 35 60.191 -20.058 -2.218
262 HH22 ARG 35 HH22 ARG 35 58.937 -20.290 -3.390
263 HA PRO 36 HA PRO 36 63.893 -12.825 2.176
264 HB2 PRO 36 HB3 PRO 36 64.502 -10.554 0.908
265 HB3 PRO 36 HB2 PRO 36 65.587 -11.949 0.856
266 HG2 PRO 36 HG3 PRO 36 63.750 -10.900 -1.231
267 HG3 PRO 36 HG2 PRO 36 65.311 -11.716 -1.412
268 HD2 PRO 36 HD3 PRO 36 62.744 -12.878 -1.657
269 HD3 PRO 36 HD2 PRO 36 64.298 -13.734 -1.608
270 HA PRO 37 HA PRO 37 60.117 -10.593 2.726
271 HB2 PRO 37 HB3 PRO 37 61.253 -8.713 4.569
272 HB3 PRO 37 HB2 PRO 37 60.349 -10.187 4.932
273 HG2 PRO 37 HG3 PRO 37 63.039 -9.803 5.464
274 HG3 PRO 37 HG2 PRO 37 62.240 -11.378 5.337
275 HD2 PRO 37 HD3 PRO 37 63.912 -9.932 3.331
276 HD3 PRO 37 HD2 PRO 37 63.796 -11.672 3.662
277 HA PRO 38 HA PRO 38 60.222 -7.077 0.005
278 HB2 PRO 38 HB3 PRO 38 57.796 -5.998 0.693
279 HB3 PRO 38 HB2 PRO 38 57.993 -7.369 -0.405
280 HG2 PRO 38 HG3 PRO 38 57.288 -7.354 2.501
281 HG3 PRO 38 HG2 PRO 38 56.624 -8.343 1.190
282 HD2 PRO 38 HD3 PRO 38 58.433 -9.315 2.924
283 HD3 PRO 38 HD2 PRO 38 58.407 -9.810 1.217
284 H SER 39 H SER 39 59.191 -4.617 0.410
285 HA SER 39 HA SER 39 59.724 -3.511 2.970
286 HB2 SER 39 HB3 SER 39 62.042 -4.073 1.689
287 HB3 SER 39 HB2 SER 39 61.733 -2.449 1.071
288 HG SER 39 HG SER 39 62.866 -2.209 2.951
Start of MODEL 10
1 H1 HIS 1 H1 HIS 1 50.390 17.864 8.856
2 H2 HIS 1 H2 HIS 1 51.238 17.600 7.389
3 H3 HIS 1 H3 HIS 1 50.728 19.181 7.814
4 HA HIS 1 HA HIS 1 52.838 19.347 8.425
5 HB2 HIS 1 HB3 HIS 1 52.985 19.103 10.828
6 HB3 HIS 1 HB2 HIS 1 51.347 19.593 10.409
7 HD1 HIS 1 HD1 HIS 1 51.208 16.231 9.561
8 HD2 HIS 1 HD2 HIS 1 51.463 18.201 13.211
9 HE1 HIS 1 HE1 HIS 1 50.362 14.593 11.269
10 HE2 HIS 1 HE2 HIS 1 50.446 15.836 13.458
11 H GLY 2 H GLY 2 53.168 17.370 6.747
12 HA2 GLY 2 HA3 GLY 2 55.289 15.826 7.908
13 HA3 GLY 2 HA2 GLY 2 53.886 14.841 7.518
14 H GLU 3 H GLU 3 55.315 17.611 5.810
15 HA GLU 3 HA GLU 3 55.583 15.877 3.445
16 HB2 GLU 3 HB3 GLU 3 55.334 18.887 3.485
17 HB3 GLU 3 HB2 GLU 3 55.293 17.841 2.072
18 HG2 GLU 3 HG3 GLU 3 53.274 17.464 4.229
19 HG3 GLU 3 HG2 GLU 3 53.091 18.793 3.086
20 H GLY 4 H GLY 4 57.432 16.089 2.121
21 HA2 GLY 4 HA3 GLY 4 59.530 17.722 2.118
22 HA3 GLY 4 HA2 GLY 4 59.809 16.857 3.623
23 H THR 5 H THR 5 61.197 15.245 3.433
24 HA THR 5 HA THR 5 61.998 14.215 0.903
25 HB THR 5 HB THR 5 62.639 12.741 3.413
26 HG1 THR 5 HG1 THR 5 63.750 15.277 2.813
27 HG21 THR 5 HG21 THR 5 64.939 13.571 2.042
28 HG22 THR 5 HG22 THR 5 63.788 13.036 0.818
29 HG23 THR 5 HG23 THR 5 64.249 11.951 2.129
30 H PHE 6 H PHE 6 62.222 11.675 0.786
31 HA PHE 6 HA PHE 6 59.666 10.650 0.300
32 HB2 PHE 6 HB3 PHE 6 60.800 8.495 -0.058
33 HB3 PHE 6 HB2 PHE 6 61.666 9.815 -0.834
34 HD1 PHE 6 HD2 PHE 6 63.787 10.621 0.088
35 HD2 PHE 6 HD1 PHE 6 61.771 7.256 1.737
36 HE1 PHE 6 HE2 PHE 6 65.849 9.964 1.261
37 HE2 PHE 6 HE1 PHE 6 63.828 6.594 2.913
38 HZ PHE 6 HZ PHE 6 65.870 7.950 2.675
39 H THR 7 H THR 7 59.574 8.092 1.314
40 HA THR 7 HA THR 7 59.077 6.813 3.143
41 HB THR 7 HB THR 7 59.939 9.037 4.973
42 HG1 THR 7 HG1 THR 7 61.654 7.115 3.796
43 HG21 THR 7 HG21 THR 7 59.716 7.525 6.561
44 HG22 THR 7 HG22 THR 7 60.875 6.479 5.739
45 HG23 THR 7 HG23 THR 7 59.154 6.349 5.373
46 H SER 8 H SER 8 57.129 8.287 1.867
47 HA SER 8 HA SER 8 55.339 8.917 4.113
48 HB2 SER 8 HB3 SER 8 55.456 10.430 1.494
49 HB3 SER 8 HB2 SER 8 54.335 10.739 2.820
50 HG SER 8 HG SER 8 57.154 10.858 3.093
51 H ASP 9 H ASP 9 55.575 7.900 0.715
52 HA ASP 9 HA ASP 9 52.872 6.755 0.954
53 HB2 ASP 9 HB3 ASP 9 54.025 8.308 -1.078
54 HB3 ASP 9 HB2 ASP 9 53.953 6.676 -1.733
55 H LEU 10 H LEU 10 55.291 5.550 2.019
56 HA LEU 10 HA LEU 10 55.007 3.023 0.590
57 HB2 LEU 10 HB3 LEU 10 57.346 2.457 1.317
58 HB3 LEU 10 HB2 LEU 10 57.186 3.620 0.014
59 HG LEU 10 HG LEU 10 58.963 4.186 1.663
60 HD11 LEU 10 HD11 LEU 10 58.663 6.373 1.271
61 HD12 LEU 10 HD12 LEU 10 57.050 6.386 1.980
62 HD13 LEU 10 HD13 LEU 10 57.279 5.822 0.328
63 HD21 LEU 10 HD21 LEU 10 57.569 3.343 3.627
64 HD22 LEU 10 HD22 LEU 10 56.742 4.900 3.554
65 HD23 LEU 10 HD23 LEU 10 58.477 4.838 3.861
66 H SER 11 H SER 11 53.915 4.463 2.989
67 HA SER 11 HA SER 11 54.277 2.271 4.883
68 HB2 SER 11 HB3 SER 11 55.299 4.215 5.860
69 HB3 SER 11 HB2 SER 11 53.931 5.219 5.390
70 H LYS 12 H LYS 12 52.191 4.500 3.284
71 HA LYS 12 HA LYS 12 49.827 3.105 4.326
72 HB2 LYS 12 HB3 LYS 12 50.404 5.979 3.768
73 HB3 LYS 12 HB2 LYS 12 48.765 5.367 3.679
74 HG2 LYS 12 HG3 LYS 12 48.590 5.149 5.912
75 HG3 LYS 12 HG2 LYS 12 50.259 4.591 6.054
76 HD2 LYS 12 HD3 LYS 12 49.991 6.730 7.182
77 HD3 LYS 12 HD2 LYS 12 51.052 6.894 5.779
78 HE2 LYS 12 HE2 LYS 12 49.481 8.070 4.563
79 HE3 LYS 12 HE3 LYS 12 48.126 7.417 5.485
80 HZ1 LYS 12 HZ1 LYS 12 49.817 9.711 6.046
81 HZ2 LYS 12 HZ2 LYS 12 49.406 8.762 7.385
82 HZ3 LYS 12 HZ3 LYS 12 48.190 9.445 6.428
83 H GLN 13 H GLN 13 51.651 3.977 1.630
84 HA GLN 13 HA GLN 13 49.399 3.360 -0.151
85 HB2 GLN 13 HB3 GLN 13 50.148 5.668 -0.353
86 HB3 GLN 13 HB2 GLN 13 51.781 5.113 -0.678
87 HG2 GLN 13 HG3 GLN 13 51.333 5.026 -2.839
88 HG3 GLN 13 HG2 GLN 13 50.064 3.842 -2.531
89 HE21 GLN 13 HE21 GLN 13 48.111 5.124 -1.348
90 HE22 GLN 13 HE22 GLN 13 47.525 6.451 -2.302
91 H MET 14 H MET 14 52.873 2.905 0.415
92 HA MET 14 HA MET 14 52.750 0.800 -1.660
93 HB2 MET 14 HB3 MET 14 54.810 1.370 -2.289
94 HB3 MET 14 HB2 MET 14 54.773 2.698 -1.145
95 HG2 MET 14 HG3 MET 14 55.801 1.371 0.539
96 HG3 MET 14 HG2 MET 14 55.628 -0.096 -0.437
97 HE1 MET 14 HE1 MET 14 56.283 0.065 -2.899
98 HE2 MET 14 HE2 MET 14 58.017 0.140 -3.208
99 HE3 MET 14 HE3 MET 14 57.004 1.548 -3.520
100 H GLU 15 H GLU 15 52.756 1.455 1.636
101 HA GLU 15 HA GLU 15 53.599 -1.220 2.361
102 HB2 GLU 15 HB3 GLU 15 53.684 1.236 3.676
103 HB3 GLU 15 HB2 GLU 15 52.450 0.318 4.526
104 HG2 GLU 15 HG3 GLU 15 54.074 -1.530 4.766
105 HG3 GLU 15 HG2 GLU 15 55.304 -0.501 4.041
106 H GLU 16 H GLU 16 50.743 0.893 2.072
107 HA GLU 16 HA GLU 16 48.839 -0.720 3.310
108 HB2 GLU 16 HB3 GLU 16 48.825 1.458 1.477
109 HB3 GLU 16 HB2 GLU 16 47.715 0.238 0.873
110 HG2 GLU 16 HG3 GLU 16 46.579 0.211 3.037
111 HG3 GLU 16 HG2 GLU 16 47.677 1.456 3.623
112 H GLU 17 H GLU 17 50.431 -0.976 0.232
113 HA GLU 17 HA GLU 17 49.050 -3.435 -0.499
114 HB2 GLU 17 HB3 GLU 17 49.784 -3.046 -2.630
115 HB3 GLU 17 HB2 GLU 17 49.800 -1.393 -2.044
116 HG2 GLU 17 HG3 GLU 17 52.213 -1.767 -1.440
117 HG3 GLU 17 HG2 GLU 17 52.122 -3.259 -2.347
118 H DAL 18 H ALA 18 52.124 -2.135 0.534
119 HA DAL 18 HA ALA 18 53.942 -3.093 1.500
120 HB1 DAL 18 HB1 ALA 18 54.889 -3.707 -0.456
121 HB2 DAL 18 HB2 ALA 18 53.467 -4.605 -0.987
122 HB3 DAL 18 HB3 ALA 18 54.585 -5.326 0.169
123 H VAL 19 H VAL 19 51.648 -3.611 2.858
124 HA VAL 19 HA VAL 19 52.323 -5.864 4.417
125 HB VAL 19 HB VAL 19 49.671 -4.409 4.297
126 HG11 VAL 19 HG11 VAL 19 49.184 -6.262 5.552
127 HG12 VAL 19 HG12 VAL 19 49.792 -5.181 6.806
128 HG13 VAL 19 HG13 VAL 19 50.838 -6.435 6.139
129 HG21 VAL 19 HG21 VAL 19 52.122 -3.337 4.942
130 HG22 VAL 19 HG22 VAL 19 51.456 -3.790 6.510
131 HG23 VAL 19 HG23 VAL 19 50.552 -2.709 5.447
132 H ARG 20 H ARG 20 50.117 -5.349 1.737
133 HA ARG 20 HA ARG 20 48.694 -7.786 1.979
134 HB2 ARG 20 HB3 ARG 20 49.195 -6.075 -0.468
135 HB3 ARG 20 HB2 ARG 20 48.026 -7.385 -0.371
136 HG2 ARG 20 HG3 ARG 20 47.541 -5.607 1.790
137 HG3 ARG 20 HG2 ARG 20 47.686 -4.659 0.309
138 HD2 ARG 20 HD3 ARG 20 46.110 -6.449 -0.699
139 HD3 ARG 20 HD2 ARG 20 45.741 -6.835 0.982
140 HE ARG 20 HE ARG 20 44.537 -4.895 1.131
141 HH11 ARG 20 HH11 ARG 20 46.519 -4.778 -1.738
142 HH12 ARG 20 HH12 ARG 20 45.781 -3.332 -2.341
143 HH21 ARG 20 HH21 ARG 20 43.563 -2.992 0.339
144 HH22 ARG 20 HH22 ARG 20 44.104 -2.318 -1.161
145 H LEU 21 H LEU 21 51.658 -6.833 0.307
146 HA LEU 21 HA LEU 21 51.973 -9.549 -0.736
147 HB2 LEU 21 HB3 LEU 21 53.853 -7.226 -1.053
148 HB3 LEU 21 HB2 LEU 21 53.787 -8.693 -2.020
149 HG LEU 21 HG LEU 21 51.622 -6.609 -1.906
150 HD11 LEU 21 HD11 LEU 21 53.215 -7.094 -4.352
151 HD12 LEU 21 HD12 LEU 21 53.995 -6.201 -3.047
152 HD13 LEU 21 HD13 LEU 21 52.490 -5.604 -3.750
153 HD21 LEU 21 HD21 LEU 21 50.357 -7.920 -3.211
154 HD22 LEU 21 HD22 LEU 21 51.364 -9.227 -2.588
155 HD23 LEU 21 HD23 LEU 21 51.736 -8.492 -4.147
156 H TYR 22 H TYR 22 53.160 -7.484 1.779
157 HA TYR 22 HA TYR 22 55.493 -8.965 2.433
158 HB2 TYR 22 HB3 TYR 22 55.422 -6.785 3.308
159 HB3 TYR 22 HB2 TYR 22 53.763 -6.949 3.836
160 HD1 TYR 22 HD2 TYR 22 56.718 -9.118 4.464
161 HD2 TYR 22 HD1 TYR 22 53.739 -6.552 6.067
162 HE1 TYR 22 HE2 TYR 22 57.470 -9.676 6.737
163 HE2 TYR 22 HE1 TYR 22 54.466 -7.093 8.335
164 HH TYR 22 HH TYR 22 56.738 -7.932 9.400
165 H ILE 23 H ILE 23 52.198 -8.785 3.623
166 HA ILE 23 HA ILE 23 52.416 -10.920 5.456
167 HB ILE 23 HB ILE 23 50.007 -9.776 4.024
168 HG12 ILE 23 HG12 ILE 23 51.310 -8.302 5.621
169 HG13 ILE 23 HG13 ILE 23 49.612 -8.528 6.014
170 HG21 ILE 23 HG21 ILE 23 49.010 -10.932 6.246
171 HG22 ILE 23 HG22 ILE 23 50.300 -12.062 5.832
172 HG23 ILE 23 HG23 ILE 23 49.041 -11.693 4.656
173 HD11 ILE 23 HD11 ILE 23 51.883 -8.996 7.627
174 HD12 ILE 23 HD12 ILE 23 51.101 -10.550 7.332
175 HD13 ILE 23 HD13 ILE 23 50.181 -9.218 8.034
176 H GLN 24 H GLN 24 51.857 -10.620 2.011
177 HA GLN 24 HA GLN 24 50.984 -13.286 1.512
178 HB2 GLN 24 HB3 GLN 24 50.866 -11.323 -0.099
179 HB3 GLN 24 HB2 GLN 24 52.587 -11.539 -0.363
180 HG2 GLN 24 HG3 GLN 24 51.498 -12.630 -2.137
181 HG3 GLN 24 HG2 GLN 24 52.080 -13.896 -1.055
182 HE21 GLN 24 HE21 GLN 24 50.685 -15.394 -0.455
183 HE22 GLN 24 HE22 GLN 24 48.966 -15.290 -0.587
184 H TRP 25 H TRP 25 54.102 -11.640 1.418
185 HA TRP 25 HA TRP 25 55.795 -13.770 0.787
186 HB2 TRP 25 HB3 TRP 25 56.642 -11.508 0.861
187 HB3 TRP 25 HB2 TRP 25 56.196 -11.345 2.559
188 HD1 TRP 25 HD1 TRP 25 58.770 -13.091 0.318
189 HE1 TRP 25 HE1 TRP 25 60.800 -13.713 1.761
190 HE3 TRP 25 HE3 TRP 25 56.930 -11.779 4.884
191 HZ2 TRP 25 HZ2 TRP 25 61.537 -13.632 4.496
192 HZ3 TRP 25 HZ3 TRP 25 58.360 -12.064 6.863
193 HH2 TRP 25 HH2 TRP 25 60.608 -12.987 6.671
194 H LEU 26 H LEU 26 54.114 -12.861 3.673
195 HA LEU 26 HA LEU 26 55.471 -14.784 5.358
196 HB2 LEU 26 HB3 LEU 26 53.426 -12.650 5.734
197 HB3 LEU 26 HB2 LEU 26 53.477 -13.948 6.903
198 HG LEU 26 HG LEU 26 55.533 -11.842 6.351
199 HD11 LEU 26 HD11 LEU 26 53.699 -11.614 8.076
200 HD12 LEU 26 HD12 LEU 26 55.351 -11.405 8.661
201 HD13 LEU 26 HD13 LEU 26 54.495 -12.920 8.957
202 HD21 LEU 26 HD21 LEU 26 56.842 -13.829 6.289
203 HD22 LEU 26 HD22 LEU 26 55.980 -14.512 7.666
204 HD23 LEU 26 HD23 LEU 26 57.038 -13.118 7.892
205 H LYS 27 H LYS 27 52.471 -14.459 3.569
206 HA LYS 27 HA LYS 27 50.875 -16.365 4.753
207 HB2 LYS 27 HB3 LYS 27 51.102 -15.187 2.083
208 HB3 LYS 27 HB2 LYS 27 50.425 -16.809 2.065
209 HG2 LYS 27 HG3 LYS 27 48.986 -15.757 4.062
210 HG3 LYS 27 HG2 LYS 27 49.305 -14.296 3.126
211 HD2 LYS 27 HD3 LYS 27 47.985 -14.949 1.416
212 HD3 LYS 27 HD2 LYS 27 48.475 -16.640 1.552
213 HE2 LYS 27 HE2 LYS 27 46.683 -15.351 3.586
214 HE3 LYS 27 HE3 LYS 27 46.040 -16.038 2.096
215 HZ1 LYS 27 HZ1 LYS 27 47.280 -18.131 2.769
216 HZ2 LYS 27 HZ2 LYS 27 45.901 -17.741 3.667
217 HZ3 LYS 27 HZ3 LYS 27 47.437 -17.427 4.301
218 H GLU 28 H GLU 28 53.744 -16.820 2.849
219 HA GLU 28 HA GLU 28 53.322 -19.713 2.741
220 HB2 GLU 28 HB3 GLU 28 55.722 -18.307 1.616
221 HB3 GLU 28 HB2 GLU 28 54.978 -19.810 1.094
222 HG2 GLU 28 HG3 GLU 28 52.971 -18.003 0.680
223 HG3 GLU 28 HG2 GLU 28 54.412 -17.059 0.308
224 H GLY 29 H GLY 29 55.168 -17.281 4.408
225 HA2 GLY 29 HA3 GLY 29 55.982 -18.045 6.624
226 HA3 GLY 29 HA2 GLY 29 56.691 -19.418 5.764
227 H GLY 30 H GLY 30 56.676 -16.307 4.288
228 HA2 GLY 30 HA3 GLY 30 58.636 -15.403 3.286
229 HA3 GLY 30 HA2 GLY 30 58.524 -14.684 4.874
230 HA PRO 31 HA PRO 31 62.509 -16.193 5.801
231 HB2 PRO 31 HB3 PRO 31 62.358 -16.500 8.475
232 HB3 PRO 31 HB2 PRO 31 62.292 -14.909 7.707
233 HG2 PRO 31 HG3 PRO 31 60.054 -16.603 8.745
234 HG3 PRO 31 HG2 PRO 31 60.295 -14.856 8.897
235 HD2 PRO 31 HD3 PRO 31 58.637 -16.003 7.071
236 HD3 PRO 31 HD2 PRO 31 59.403 -14.449 6.838
237 H SER 32 H SER 32 61.348 -18.273 4.623
238 HA SER 32 HA SER 32 62.539 -20.521 5.803
239 HB2 SER 32 HB3 SER 32 60.127 -19.964 7.030
240 HB3 SER 32 HB2 SER 32 59.686 -21.176 5.829
241 HG SER 32 HG SER 32 61.373 -21.386 8.043
242 H SER 33 H SER 33 59.854 -19.458 3.745
243 HA SER 33 HA SER 33 59.778 -21.656 2.024
244 HB2 SER 33 HB3 SER 33 58.610 -19.042 2.141
245 HB3 SER 33 HB2 SER 33 59.194 -19.328 0.497
246 HG SER 33 HG SER 33 57.632 -20.697 0.224
247 H GLY 34 H GLY 34 61.659 -18.652 1.817
248 HA2 GLY 34 HA3 GLY 34 63.985 -18.937 1.018
249 HA3 GLY 34 HA2 GLY 34 63.319 -19.965 -0.250
250 H ARG 35 H ARG 35 63.270 -16.652 1.016
251 HA ARG 35 HA ARG 35 63.687 -15.479 -1.502
252 HB2 ARG 35 HB3 ARG 35 61.459 -14.376 -1.767
253 HB3 ARG 35 HB2 ARG 35 61.451 -16.110 -2.061
254 HG2 ARG 35 HG3 ARG 35 60.874 -15.888 0.631
255 HG3 ARG 35 HG2 ARG 35 60.009 -14.547 -0.110
256 HD2 ARG 35 HD3 ARG 35 59.837 -17.212 -1.411
257 HD3 ARG 35 HD2 ARG 35 58.941 -16.961 0.084
258 HE ARG 35 HE ARG 35 57.607 -15.367 -0.997
259 HH11 ARG 35 HH11 ARG 35 59.987 -16.737 -3.163
260 HH12 ARG 35 HH12 ARG 35 59.187 -16.173 -4.589
261 HH21 ARG 35 HH21 ARG 35 56.564 -14.630 -2.877
262 HH22 ARG 35 HH22 ARG 35 57.248 -14.979 -4.429
263 HA PRO 36 HA PRO 36 64.594 -12.121 1.215
264 HB2 PRO 36 HB3 PRO 36 64.829 -10.096 -0.519
265 HB3 PRO 36 HB2 PRO 36 65.970 -11.447 -0.524
266 HG2 PRO 36 HG3 PRO 36 63.602 -10.964 -2.291
267 HG3 PRO 36 HG2 PRO 36 65.235 -11.493 -2.738
268 HD2 PRO 36 HD3 PRO 36 63.125 -13.203 -2.447
269 HD3 PRO 36 HD2 PRO 36 64.814 -13.679 -2.163
270 HA PRO 37 HA PRO 37 60.285 -10.868 2.070
271 HB2 PRO 37 HB3 PRO 37 61.322 -9.225 4.171
272 HB3 PRO 37 HB2 PRO 37 60.471 -10.767 4.312
273 HG2 PRO 37 HG3 PRO 37 63.357 -10.197 4.427
274 HG3 PRO 37 HG2 PRO 37 62.454 -11.574 5.076
275 HD2 PRO 37 HD3 PRO 37 64.087 -11.764 2.920
276 HD3 PRO 37 HD2 PRO 37 62.642 -12.775 3.119
277 HA PRO 38 HA PRO 38 60.295 -6.914 0.088
278 HB2 PRO 38 HB3 PRO 38 57.843 -6.031 0.744
279 HB3 PRO 38 HB2 PRO 38 58.078 -7.398 -0.351
280 HG2 PRO 38 HG3 PRO 38 57.401 -7.409 2.565
281 HG3 PRO 38 HG2 PRO 38 56.712 -8.378 1.251
282 HD2 PRO 38 HD3 PRO 38 58.620 -9.318 2.952
283 HD3 PRO 38 HD2 PRO 38 58.444 -9.882 1.279
284 H SER 39 H SER 39 59.202 -4.577 0.791
285 HA SER 39 HA SER 39 60.968 -3.603 2.802
286 HB2 SER 39 HB3 SER 39 59.319 -1.511 2.425
287 HB3 SER 39 HB2 SER 39 60.605 -1.927 1.292
288 HG SER 39 HG SER 39 57.865 -2.128 1.015