data_16387_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
save_
save_delta_chem_shifts
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts
_Entity_delta_chem_shifts.Model_type "single"
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
1 1 . 1 1 2 2 E N N 2 121.100 125.986 -4.886
2 1 . 1 1 2 2 E HA H 2 5.260 5.145 0.115
3 1 . 1 1 2 2 E C C 2 174.300 175.410 -1.110
4 1 . 1 1 2 2 E CA C 2 54.300 54.838 -0.538
5 1 . 1 1 2 2 E CB C 2 32.400 32.598 -0.198
6 1 . 1 1 2 2 E H H 2 8.720 8.320 0.400
7 1 . 1 1 3 3 M N N 3 122.600 121.670 0.930
8 1 . 1 1 3 3 M HA H 3 5.120 4.920 0.200
9 1 . 1 1 3 3 M C C 3 172.600 173.967 -1.367
10 1 . 1 1 3 3 M CA C 3 54.600 54.406 0.194
11 1 . 1 1 3 3 M CB C 3 37.000 35.723 1.277
12 1 . 1 1 3 3 M H H 3 8.990 8.747 0.243
13 1 . 1 1 4 4 D N N 4 126.300 125.936 0.364
14 1 . 1 1 4 4 D HA H 4 5.650 5.247 0.403
15 1 . 1 1 4 4 D C C 4 175.000 174.911 0.089
16 1 . 1 1 4 4 D CA C 4 52.600 53.582 -0.982
17 1 . 1 1 4 4 D CB C 4 41.800 41.445 0.355
18 1 . 1 1 4 4 D H H 4 8.810 8.940 -0.130
19 1 . 1 1 5 5 I N N 5 124.600 126.112 -1.512
20 1 . 1 1 5 5 I HA H 5 4.470 4.547 -0.077
21 1 . 1 1 5 5 I C C 5 173.600 174.739 -1.139
22 1 . 1 1 5 5 I CA C 5 60.500 60.468 0.032
23 1 . 1 1 5 5 I CB C 5 41.100 37.961 3.139
24 1 . 1 1 5 5 I H H 5 9.520 9.382 0.138
25 1 . 1 1 6 6 R N N 6 127.500 127.676 -0.176
26 1 . 1 1 6 6 R HA H 6 5.410 5.227 0.183
27 1 . 1 1 6 6 R C C 6 175.300 174.738 0.562
28 1 . 1 1 6 6 R CA C 6 54.400 55.102 -0.702
29 1 . 1 1 6 6 R CB C 6 32.500 30.588 1.912
30 1 . 1 1 6 6 R H H 6 8.970 9.358 -0.388
31 1 . 1 1 7 7 F N N 7 125.400 124.585 0.815
32 1 . 1 1 7 7 F HA H 7 5.720 4.976 0.744
33 1 . 1 1 7 7 F C C 7 174.800 174.872 -0.072
34 1 . 1 1 7 7 F CA C 7 56.000 57.838 -1.838
35 1 . 1 1 7 7 F CB C 7 42.300 40.272 2.028
36 1 . 1 1 7 7 F H H 7 9.530 9.214 0.316
37 1 . 1 1 8 8 R N N 8 121.100 124.298 -3.198
38 1 . 1 1 8 8 R HA H 8 5.700 5.467 0.233
39 1 . 1 1 8 8 R C C 8 175.400 175.428 -0.028
40 1 . 1 1 8 8 R CA C 8 54.500 54.617 -0.117
41 1 . 1 1 8 8 R CB C 8 33.800 33.322 0.478
42 1 . 1 1 8 8 R H H 8 8.770 9.317 -0.547
43 1 . 1 1 9 9 G N N 9 111.500 113.127 -1.627
44 1 . 1 1 9 9 G C C 9 171.200 173.473 -2.273
45 1 . 1 1 9 9 G CA C 9 45.200 45.050 0.150
46 1 . 1 1 9 9 G H H 9 8.630 8.321 0.309
47 1 . 1 1 10 10 D N N 10 117.300 117.377 -0.077
48 1 . 1 1 10 10 D HA H 10 4.710 4.809 -0.099
49 1 . 1 1 10 10 D C C 10 175.300 175.926 -0.626
50 1 . 1 1 10 10 D CA C 10 53.400 55.051 -1.651
51 1 . 1 1 10 10 D CB C 10 41.400 41.658 -0.258
52 1 . 1 1 10 10 D H H 10 8.230 8.616 -0.386
53 1 . 1 1 11 11 D N N 11 119.000 117.342 1.658
54 1 . 1 1 11 11 D HA H 11 4.690 4.888 -0.198
55 1 . 1 1 11 11 D C C 11 175.500 176.225 -0.725
56 1 . 1 1 11 11 D CA C 11 52.600 52.924 -0.324
57 1 . 1 1 11 11 D CB C 11 41.500 42.253 -0.753
58 1 . 1 1 11 11 D H H 11 7.400 7.979 -0.579
59 1 . 1 1 12 12 L N N 12 125.800 122.382 3.418
60 1 . 1 1 12 12 L HA H 12 3.850 4.359 -0.509
61 1 . 1 1 12 12 L C C 12 179.100 178.932 0.168
62 1 . 1 1 12 12 L CA C 12 57.800 58.494 -0.694
63 1 . 1 1 12 12 L CB C 12 41.700 41.223 0.477
64 1 . 1 1 12 12 L H H 12 8.520 8.652 -0.132
65 1 . 1 1 13 13 E N N 13 119.800 118.958 0.842
66 1 . 1 1 13 13 E HA H 13 3.980 3.978 0.002
67 1 . 1 1 13 13 E C C 13 178.600 178.938 -0.338
68 1 . 1 1 13 13 E CA C 13 59.300 59.584 -0.284
69 1 . 1 1 13 13 E CB C 13 29.100 29.145 -0.045
70 1 . 1 1 13 13 E H H 13 8.140 8.414 -0.274
71 1 . 1 1 14 14 A N N 14 122.200 122.696 -0.496
72 1 . 1 1 14 14 A HA H 14 3.380 3.200 0.180
73 1 . 1 1 14 14 A C C 14 179.300 179.091 0.209
74 1 . 1 1 14 14 A CA C 14 54.400 54.451 -0.051
75 1 . 1 1 14 14 A CB C 14 18.700 18.061 0.639
76 1 . 1 1 14 14 A H H 14 7.460 7.832 -0.372
77 1 . 1 1 15 15 F N N 15 115.400 115.287 0.113
78 1 . 1 1 15 15 F HA H 15 3.850 4.025 -0.175
79 1 . 1 1 15 15 F C C 15 177.000 177.889 -0.889
80 1 . 1 1 15 15 F CA C 15 57.700 61.781 -4.081
81 1 . 1 1 15 15 F CB C 15 37.500 38.266 -0.766
82 1 . 1 1 15 15 F H H 15 7.380 7.611 -0.231
83 1 . 1 1 16 16 E N N 16 118.800 119.398 -0.598
84 1 . 1 1 16 16 E HA H 16 3.660 3.887 -0.227
85 1 . 1 1 16 16 E C C 16 178.700 179.091 -0.391
86 1 . 1 1 16 16 E CA C 16 59.800 59.621 0.179
87 1 . 1 1 16 16 E CB C 16 29.100 29.148 -0.048
88 1 . 1 1 16 16 E H H 16 7.990 8.330 -0.340
89 1 . 1 1 17 17 K N N 17 118.200 118.142 0.058
90 1 . 1 1 17 17 K HA H 17 3.780 3.994 -0.214
91 1 . 1 1 17 17 K C C 17 179.000 178.755 0.245
92 1 . 1 1 17 17 K CA C 17 59.600 59.322 0.278
93 1 . 1 1 17 17 K CB C 17 32.400 32.550 -0.150
94 1 . 1 1 17 17 K H H 17 7.550 8.030 -0.480
95 1 . 1 1 18 18 A N N 18 122.400 121.962 0.438
96 1 . 1 1 18 18 A HA H 18 3.890 3.962 -0.072
97 1 . 1 1 18 18 A C C 18 178.900 179.437 -0.537
98 1 . 1 1 18 18 A CA C 18 54.800 54.862 -0.062
99 1 . 1 1 18 18 A CB C 18 17.100 17.713 -0.613
100 1 . 1 1 18 18 A H H 18 8.060 7.370 0.690
101 1 . 1 1 19 19 L N N 19 118.700 119.074 -0.374
102 1 . 1 1 19 19 L HA H 19 3.690 3.940 -0.250
103 1 . 1 1 19 19 L C C 19 177.700 178.371 -0.671
104 1 . 1 1 19 19 L CA C 19 57.900 57.499 0.401
105 1 . 1 1 19 19 L CB C 19 41.700 41.522 0.178
106 1 . 1 1 19 19 L H H 19 8.280 7.834 0.446
107 1 . 1 1 20 20 K N N 20 116.600 118.428 -1.828
108 1 . 1 1 20 20 K HA H 20 3.780 3.863 -0.083
109 1 . 1 1 20 20 K C C 20 179.700 178.932 0.768
110 1 . 1 1 20 20 K CA C 20 60.000 59.018 0.982
111 1 . 1 1 20 20 K CB C 20 32.400 31.891 0.509
112 1 . 1 1 20 20 K H H 20 7.760 7.961 -0.201
113 1 . 1 1 21 21 E N N 21 118.700 119.662 -0.962
114 1 . 1 1 21 21 E HA H 21 4.300 4.037 0.263
115 1 . 1 1 21 21 E C C 21 178.500 179.662 -1.162
116 1 . 1 1 21 21 E CA C 21 58.400 59.580 -1.180
117 1 . 1 1 21 21 E CB C 21 29.100 29.279 -0.179
118 1 . 1 1 21 21 E H H 21 7.750 8.083 -0.333
119 1 . 1 1 22 22 M N N 22 119.100 119.340 -0.240
120 1 . 1 1 22 22 M HA H 22 4.390 4.200 0.190
121 1 . 1 1 22 22 M C C 22 178.800 178.666 0.134
122 1 . 1 1 22 22 M CA C 22 57.300 58.437 -1.137
123 1 . 1 1 22 22 M CB C 22 31.200 32.836 -1.636
124 1 . 1 1 22 22 M H H 22 8.300 8.000 0.300
125 1 . 1 1 23 23 I N N 23 120.200 119.176 1.024
126 1 . 1 1 23 23 I HA H 23 3.550 3.632 -0.082
127 1 . 1 1 23 23 I C C 23 177.600 177.769 -0.169
128 1 . 1 1 23 23 I CA C 23 66.100 65.239 0.861
129 1 . 1 1 23 23 I CB C 23 37.700 37.792 -0.092
130 1 . 1 1 23 23 I H H 23 8.460 8.252 0.208
131 1 . 1 1 24 24 R N N 24 120.200 120.923 -0.723
132 1 . 1 1 24 24 R HA H 24 3.890 3.930 -0.040
133 1 . 1 1 24 24 R C C 24 179.400 178.865 0.535
134 1 . 1 1 24 24 R CA C 24 59.900 59.930 -0.030
135 1 . 1 1 24 24 R CB C 24 30.200 30.181 0.019
136 1 . 1 1 24 24 R H H 24 7.720 8.234 -0.514
137 1 . 1 1 25 25 Q N N 25 117.100 118.770 -1.670
138 1 . 1 1 25 25 Q HA H 25 3.930 4.072 -0.142
139 1 . 1 1 25 25 Q C C 25 177.600 178.486 -0.886
140 1 . 1 1 25 25 Q CA C 25 58.000 58.726 -0.726
141 1 . 1 1 25 25 Q CB C 25 27.800 28.295 -0.495
142 1 . 1 1 25 25 Q H H 25 8.190 7.877 0.313
143 1 . 1 1 26 26 A N N 26 120.300 122.497 -2.197
144 1 . 1 1 26 26 A HA H 26 3.690 4.361 -0.671
145 1 . 1 1 26 26 A C C 26 179.400 180.051 -0.651
146 1 . 1 1 26 26 A CA C 26 54.200 55.178 -0.978
147 1 . 1 1 26 26 A CB C 26 18.300 18.542 -0.242
148 1 . 1 1 26 26 A H H 26 8.240 8.596 -0.356
149 1 . 1 1 27 27 R N N 27 117.500 117.765 -0.265
150 1 . 1 1 27 27 R HA H 27 4.070 4.118 -0.048
151 1 . 1 1 27 27 R C C 27 178.900 178.012 0.888
152 1 . 1 1 27 27 R CA C 27 58.500 59.400 -0.900
153 1 . 1 1 27 27 R CB C 27 29.700 29.941 -0.241
154 1 . 1 1 27 27 R H H 27 8.080 7.887 0.193
155 1 . 1 1 28 28 K N N 28 119.100 116.932 2.168
156 1 . 1 1 28 28 K HA H 28 4.000 4.105 -0.105
157 1 . 1 1 28 28 K C C 28 176.900 175.869 1.031
158 1 . 1 1 28 28 K CA C 28 58.600 57.597 1.003
159 1 . 1 1 28 28 K CB C 28 32.100 32.602 -0.502
160 1 . 1 1 28 28 K H H 28 7.520 7.744 -0.224
161 1 . 1 1 29 29 F N N 29 114.500 118.537 -4.037
162 1 . 1 1 29 29 F HA H 29 4.930 5.001 -0.071
163 1 . 1 1 29 29 F C C 29 173.600 174.981 -1.381
164 1 . 1 1 29 29 F CA C 29 55.800 56.566 -0.766
165 1 . 1 1 29 29 F CB C 29 39.000 41.287 -2.287
166 1 . 1 1 29 29 F H H 29 7.010 7.738 -0.728
167 1 . 1 1 30 30 A N N 30 121.600 125.426 -3.826
168 1 . 1 1 30 30 A HA H 30 4.130 4.333 -0.203
169 1 . 1 1 30 30 A C C 30 176.700 176.326 0.374
170 1 . 1 1 30 30 A CA C 30 52.900 51.731 1.169
171 1 . 1 1 30 30 A CB C 30 17.000 17.265 -0.265
172 1 . 1 1 30 30 A H H 30 7.830 8.852 -1.022
173 1 . 1 1 31 31 G N N 31 105.400 108.021 -2.621
174 1 . 1 1 31 31 G C C 31 173.100 171.778 1.322
175 1 . 1 1 31 31 G CA C 31 45.100 44.557 0.543
176 1 . 1 1 31 31 G H H 31 7.950 8.634 -0.684
177 1 . 1 1 32 32 T N N 32 115.700 120.392 -4.692
178 1 . 1 1 32 32 T HA H 32 4.580 4.737 -0.157
179 1 . 1 1 32 32 T C C 32 173.100 174.344 -1.244
180 1 . 1 1 32 32 T CA C 32 61.900 63.396 -1.496
181 1 . 1 1 32 32 T CB C 32 70.500 69.354 1.146
182 1 . 1 1 32 32 T H H 32 8.220 9.168 -0.948
183 1 . 1 1 33 33 V N N 33 125.300 128.567 -3.267
184 1 . 1 1 33 33 V HA H 33 5.150 4.586 0.564
185 1 . 1 1 33 33 V C C 33 175.300 175.824 -0.524
186 1 . 1 1 33 33 V CA C 33 60.800 62.123 -1.323
187 1 . 1 1 33 33 V CB C 33 34.300 31.817 2.483
188 1 . 1 1 33 33 V H H 33 8.610 8.921 -0.311
189 1 . 1 1 34 34 T N N 34 120.200 118.383 1.817
190 1 . 1 1 34 34 T HA H 34 4.670 5.381 -0.711
191 1 . 1 1 34 34 T CA C 34 60.200 59.243 0.957
192 1 . 1 1 34 34 T CB C 34 71.600 71.835 -0.235
193 1 . 1 1 34 34 T H H 34 8.890 9.121 -0.231
194 1 . 1 1 35 35 Y N N 35 118.100 118.230 -0.130
195 1 . 1 1 35 35 Y HA H 35 5.720 5.857 -0.137
196 1 . 1 1 35 35 Y C C 35 174.400 173.154 1.246
197 1 . 1 1 35 35 Y CA C 35 56.200 56.183 0.017
198 1 . 1 1 35 35 Y CB C 35 41.800 41.236 0.564
199 1 . 1 1 35 35 Y H H 35 8.360 8.678 -0.318
200 1 . 1 1 36 36 T N N 36 115.200 112.961 2.239
201 1 . 1 1 36 36 T HA H 36 4.400 5.144 -0.744
202 1 . 1 1 36 36 T CA C 36 60.200 60.678 -0.478
203 1 . 1 1 36 36 T CB C 36 71.800 71.534 0.266
204 1 . 1 1 36 36 T H H 36 9.020 9.072 -0.052
205 1 . 1 1 37 37 L N N 37 129.300 127.761 1.539
206 1 . 1 1 37 37 L HA H 37 5.020 4.944 0.076
207 1 . 1 1 37 37 L C C 37 174.900 174.925 -0.025
208 1 . 1 1 37 37 L CA C 37 54.400 53.858 0.542
209 1 . 1 1 37 37 L CB C 37 43.800 43.893 -0.093
210 1 . 1 1 37 37 L H H 37 8.850 9.067 -0.217
211 1 . 1 1 38 38 D N N 38 127.200 127.520 -0.320
212 1 . 1 1 38 38 D HA H 38 4.850 4.972 -0.122
213 1 . 1 1 38 38 D CA C 38 53.000 52.600 0.400
214 1 . 1 1 38 38 D CB C 38 42.300 42.260 0.040
215 1 . 1 1 38 38 D H H 38 8.740 8.692 0.048
216 1 . 1 1 39 39 G N N 39 114.000 115.971 -1.971
217 1 . 1 1 39 39 G C C 39 174.000 174.065 -0.065
218 1 . 1 1 39 39 G CA C 39 47.400 47.336 0.064
219 1 . 1 1 39 39 G H H 39 8.700 8.890 -0.190
220 1 . 1 1 40 40 N N N 40 124.400 124.395 0.005
221 1 . 1 1 40 40 N HA H 40 5.070 4.915 0.155
222 1 . 1 1 40 40 N C C 40 173.100 173.624 -0.524
223 1 . 1 1 40 40 N CA C 40 53.200 51.930 1.270
224 1 . 1 1 40 40 N CB C 40 39.300 38.260 1.040
225 1 . 1 1 40 40 N H H 40 8.740 8.731 0.009
226 1 . 1 1 41 41 D N N 41 118.500 123.997 -5.497
227 1 . 1 1 41 41 D HA H 41 5.410 5.160 0.250
228 1 . 1 1 41 41 D C C 41 173.600 173.894 -0.294
229 1 . 1 1 41 41 D CA C 41 53.700 54.308 -0.608
230 1 . 1 1 41 41 D CB C 41 43.800 44.182 -0.382
231 1 . 1 1 41 41 D H H 41 7.980 8.060 -0.080
232 1 . 1 1 42 42 L N N 42 125.100 127.981 -2.881
233 1 . 1 1 42 42 L HA H 42 4.960 5.112 -0.152
234 1 . 1 1 42 42 L C C 42 173.600 175.149 -1.549
235 1 . 1 1 42 42 L CA C 42 53.400 53.825 -0.425
236 1 . 1 1 42 42 L CB C 42 43.700 44.522 -0.822
237 1 . 1 1 42 42 L H H 42 8.520 9.533 -1.013
238 1 . 1 1 43 43 E N N 43 127.800 126.623 1.177
239 1 . 1 1 43 43 E HA H 43 5.280 4.754 0.526
240 1 . 1 1 43 43 E C C 43 174.900 175.386 -0.486
241 1 . 1 1 43 43 E CA C 43 54.500 56.256 -1.756
242 1 . 1 1 43 43 E CB C 43 32.000 30.370 1.630
243 1 . 1 1 43 43 E H H 43 8.990 9.027 -0.037
244 1 . 1 1 44 44 I N N 44 126.300 127.068 -0.768
245 1 . 1 1 44 44 I HA H 44 4.760 4.915 -0.155
246 1 . 1 1 44 44 I C C 44 173.800 174.349 -0.549
247 1 . 1 1 44 44 I CA C 44 60.000 60.579 -0.579
248 1 . 1 1 44 44 I CB C 44 41.200 38.157 3.043
249 1 . 1 1 44 44 I H H 44 9.590 9.244 0.346
250 1 . 1 1 45 45 R N N 45 127.800 128.726 -0.926
251 1 . 1 1 45 45 R HA H 45 5.250 5.034 0.216
252 1 . 1 1 45 45 R C C 45 175.300 174.617 0.683
253 1 . 1 1 45 45 R CA C 45 55.000 55.399 -0.399
254 1 . 1 1 45 45 R CB C 45 31.700 31.702 -0.002
255 1 . 1 1 45 45 R H H 45 9.130 9.380 -0.250
256 1 . 1 1 46 46 I N N 46 125.800 128.199 -2.399
257 1 . 1 1 46 46 I HA H 46 5.150 4.712 0.438
258 1 . 1 1 46 46 I C C 46 175.600 175.305 0.295
259 1 . 1 1 46 46 I CA C 46 60.100 60.130 -0.030
260 1 . 1 1 46 46 I CB C 46 39.900 38.029 1.871
261 1 . 1 1 46 46 I H H 46 9.180 8.963 0.217
262 1 . 1 1 47 47 T N N 47 118.800 123.104 -4.304
263 1 . 1 1 47 47 T HA H 47 5.010 4.672 0.338
264 1 . 1 1 47 47 T C C 47 174.300 175.407 -1.107
265 1 . 1 1 47 47 T CA C 47 60.100 63.043 -2.943
266 1 . 1 1 47 47 T CB C 47 70.900 68.966 1.934
267 1 . 1 1 47 47 T H H 47 9.020 9.031 -0.011
268 1 . 1 1 48 48 G N N 48 109.000 114.591 -5.591
269 1 . 1 1 48 48 G C C 48 174.700 173.795 0.905
270 1 . 1 1 48 48 G CA C 48 46.200 46.768 -0.568
271 1 . 1 1 48 48 G H H 48 8.350 8.826 -0.476
272 1 . 1 1 49 49 V N N 49 114.200 113.590 0.610
273 1 . 1 1 49 49 V HA H 49 4.260 4.844 -0.584
274 1 . 1 1 49 49 V CA C 49 58.200 58.067 0.133
275 1 . 1 1 49 49 V CB C 49 32.500 34.557 -2.057
276 1 . 1 1 49 49 V H H 49 7.760 7.602 0.158
277 1 . 1 1 50 50 P HA H 50 4.580 4.694 -0.114
278 1 . 1 1 50 50 P C C 50 177.200 178.001 -0.801
279 1 . 1 1 50 50 P CA C 50 61.800 62.127 -0.327
280 1 . 1 1 50 50 P CB C 50 32.500 32.647 -0.147
281 1 . 1 1 51 51 E N N 51 123.400 123.133 0.267
282 1 . 1 1 51 51 E HA H 51 4.000 3.986 0.014
283 1 . 1 1 51 51 E C C 51 178.500 178.777 -0.277
284 1 . 1 1 51 51 E CA C 51 59.500 59.209 0.291
285 1 . 1 1 51 51 E CB C 51 29.300 29.012 0.288
286 1 . 1 1 51 51 E H H 51 8.890 8.618 0.272
287 1 . 1 1 52 52 Q N N 52 115.200 119.327 -4.127
288 1 . 1 1 52 52 Q HA H 52 4.100 4.064 0.036
289 1 . 1 1 52 52 Q C C 52 177.300 177.986 -0.686
290 1 . 1 1 52 52 Q CA C 52 58.600 58.564 0.036
291 1 . 1 1 52 52 Q CB C 52 27.700 28.357 -0.657
292 1 . 1 1 52 52 Q H H 52 8.910 8.299 0.611
293 1 . 1 1 53 53 V N N 53 114.900 120.817 -5.917
294 1 . 1 1 53 53 V HA H 53 4.120 3.512 0.608
295 1 . 1 1 53 53 V C C 53 176.100 177.483 -1.383
296 1 . 1 1 53 53 V CA C 53 62.100 66.415 -4.315
297 1 . 1 1 53 53 V CB C 53 31.900 30.919 0.981
298 1 . 1 1 53 53 V H H 53 7.080 7.681 -0.601
299 1 . 1 1 54 54 R N N 54 121.500 120.175 1.325
300 1 . 1 1 54 54 R HA H 54 3.620 3.879 -0.259
301 1 . 1 1 54 54 R C C 54 177.100 178.966 -1.866
302 1 . 1 1 54 54 R CA C 54 60.400 59.438 0.962
303 1 . 1 1 54 54 R H H 54 7.510 8.281 -0.771
304 1 . 1 1 55 55 K N N 55 116.800 118.322 -1.522
305 1 . 1 1 55 55 K HA H 55 3.890 4.006 -0.116
306 1 . 1 1 55 55 K C C 55 176.000 179.746 -3.746
307 1 . 1 1 55 55 K CA C 55 59.600 59.742 -0.142
308 1 . 1 1 55 55 K CB C 55 31.800 32.334 -0.534
309 1 . 1 1 55 55 K H H 55 8.170 7.391 0.779
310 1 . 1 1 56 56 E N N 56 120.200 120.042 0.158
311 1 . 1 1 56 56 E HA H 56 4.050 4.013 0.037
312 1 . 1 1 56 56 E CA C 56 59.100 58.928 0.172
313 1 . 1 1 56 56 E CB C 56 29.200 29.507 -0.307
314 1 . 1 1 56 56 E H H 56 7.600 8.085 -0.485
315 1 . 1 1 57 57 L N N 57 120.200 120.257 -0.057
316 1 . 1 1 57 57 L HA H 57 3.970 4.007 -0.037
317 1 . 1 1 57 57 L C C 57 178.300 178.544 -0.244
318 1 . 1 1 57 57 L CA C 57 57.700 57.621 0.079
319 1 . 1 1 57 57 L CB C 57 42.000 41.746 0.254
320 1 . 1 1 57 57 L H H 57 7.980 8.265 -0.285
321 1 . 1 1 58 58 A N N 58 120.600 121.391 -0.791
322 1 . 1 1 58 58 A HA H 58 3.400 3.608 -0.208
323 1 . 1 1 58 58 A C C 58 178.600 179.264 -0.664
324 1 . 1 1 58 58 A CA C 58 55.200 55.195 0.005
325 1 . 1 1 58 58 A CB C 58 17.600 17.925 -0.325
326 1 . 1 1 58 58 A H H 58 7.820 8.277 -0.457
327 1 . 1 1 59 59 K N N 59 116.600 118.040 -1.440
328 1 . 1 1 59 59 K HA H 59 3.990 4.232 -0.242
329 1 . 1 1 59 59 K C C 59 179.900 177.993 1.907
330 1 . 1 1 59 59 K CA C 59 59.400 59.235 0.165
331 1 . 1 1 59 59 K CB C 59 32.000 32.061 -0.061
332 1 . 1 1 59 59 K H H 59 7.630 7.787 -0.157
333 1 . 1 1 60 60 E N N 60 120.700 118.510 2.190
334 1 . 1 1 60 60 E HA H 60 4.390 4.105 0.285
335 1 . 1 1 60 60 E C C 60 178.100 178.650 -0.550
336 1 . 1 1 60 60 E CA C 60 58.100 58.902 -0.802
337 1 . 1 1 60 60 E CB C 60 28.800 29.109 -0.309
338 1 . 1 1 60 60 E H H 60 7.950 7.686 0.264
339 1 . 1 1 61 61 A N N 61 122.400 122.203 0.197
340 1 . 1 1 61 61 A HA H 61 4.160 4.298 -0.138
341 1 . 1 1 61 61 A C C 61 179.100 179.955 -0.855
342 1 . 1 1 61 61 A CA C 61 56.000 54.973 1.027
343 1 . 1 1 61 61 A CB C 61 17.300 18.194 -0.894
344 1 . 1 1 61 61 A H H 61 8.300 8.247 0.053
345 1 . 1 1 62 62 E N N 62 115.600 117.661 -2.061
346 1 . 1 1 62 62 E HA H 62 4.040 4.000 0.040
347 1 . 1 1 62 62 E C C 62 179.200 179.013 0.187
348 1 . 1 1 62 62 E CA C 62 59.200 59.666 -0.466
349 1 . 1 1 62 62 E CB C 62 29.300 29.308 -0.008
350 1 . 1 1 62 62 E H H 62 8.100 7.940 0.160
351 1 . 1 1 63 63 R N N 63 122.800 120.607 2.193
352 1 . 1 1 63 63 R HA H 63 4.040 4.060 -0.020
353 1 . 1 1 63 63 R C C 63 179.100 178.928 0.172
354 1 . 1 1 63 63 R CA C 63 59.600 58.912 0.688
355 1 . 1 1 63 63 R CB C 63 29.800 29.763 0.037
356 1 . 1 1 63 63 R H H 63 8.250 7.652 0.598
357 1 . 1 1 64 64 L N N 64 120.800 120.114 0.686
358 1 . 1 1 64 64 L HA H 64 3.870 4.026 -0.156
359 1 . 1 1 64 64 L C C 64 178.200 178.956 -0.756
360 1 . 1 1 64 64 L CA C 64 57.500 58.070 -0.570
361 1 . 1 1 64 64 L CB C 64 42.300 41.724 0.576
362 1 . 1 1 64 64 L H H 64 8.460 8.597 -0.137
363 1 . 1 1 65 65 A N N 65 120.200 120.992 -0.792
364 1 . 1 1 65 65 A HA H 65 4.050 4.165 -0.115
365 1 . 1 1 65 65 A C C 65 179.500 180.265 -0.765
366 1 . 1 1 65 65 A CA C 65 55.200 54.896 0.304
367 1 . 1 1 65 65 A CB C 65 17.900 18.355 -0.455
368 1 . 1 1 65 65 A H H 65 8.190 8.505 -0.315
369 1 . 1 1 66 66 K N N 66 116.500 117.770 -1.270
370 1 . 1 1 66 66 K HA H 66 4.190 4.116 0.074
371 1 . 1 1 66 66 K C C 66 178.800 179.342 -0.542
372 1 . 1 1 66 66 K CA C 66 58.900 59.344 -0.444
373 1 . 1 1 66 66 K CB C 66 32.300 32.652 -0.352
374 1 . 1 1 66 66 K H H 66 7.700 7.810 -0.110
375 1 . 1 1 67 67 E N N 67 120.200 118.901 1.299
376 1 . 1 1 67 67 E HA H 67 3.840 3.926 -0.086
377 1 . 1 1 67 67 E C C 67 178.000 177.938 0.062
378 1 . 1 1 67 67 E CA C 67 59.100 59.052 0.048
379 1 . 1 1 67 67 E CB C 67 29.300 29.075 0.225
380 1 . 1 1 67 67 E H H 67 8.270 8.087 0.183
381 1 . 1 1 68 68 F N N 68 113.400 116.411 -3.011
382 1 . 1 1 68 68 F HA H 68 4.760 4.577 0.183
383 1 . 1 1 68 68 F C C 68 174.400 175.011 -0.611
384 1 . 1 1 68 68 F CA C 68 56.300 57.375 -1.075
385 1 . 1 1 68 68 F CB C 68 39.400 39.224 0.176
386 1 . 1 1 68 68 F H H 68 7.800 7.536 0.264
387 1 . 1 1 69 69 N N N 69 118.200 117.408 0.792
388 1 . 1 1 69 69 N HA H 69 4.510 4.334 0.176
389 1 . 1 1 69 69 N CA C 69 54.200 54.600 -0.400
390 1 . 1 1 69 69 N CB C 69 37.000 38.082 -1.082
391 1 . 1 1 69 69 N H H 69 7.950 8.165 -0.215
392 1 . 1 1 70 70 I N N 70 113.900 116.551 -2.651
393 1 . 1 1 70 70 I HA H 70 4.950 4.343 0.607
394 1 . 1 1 70 70 I CA C 70 59.800 59.640 0.160
395 1 . 1 1 70 70 I CB C 70 40.000 39.716 0.284
396 1 . 1 1 70 70 I H H 70 8.480 7.868 0.612
397 1 . 1 1 71 71 T N N 71 113.600 118.508 -4.908
398 1 . 1 1 71 71 T HA H 71 4.820 4.799 0.021
399 1 . 1 1 71 71 T C C 71 173.500 173.641 -0.141
400 1 . 1 1 71 71 T CA C 71 61.500 62.383 -0.883
401 1 . 1 1 71 71 T CB C 71 71.200 70.225 0.975
402 1 . 1 1 71 71 T H H 71 8.520 8.860 -0.340
403 1 . 1 1 72 72 V N N 72 122.600 125.453 -2.853
404 1 . 1 1 72 72 V HA H 72 5.330 4.910 0.420
405 1 . 1 1 72 72 V C C 72 173.200 173.994 -0.794
406 1 . 1 1 72 72 V CA C 72 59.200 60.233 -1.033
407 1 . 1 1 72 72 V CB C 72 35.800 34.827 0.973
408 1 . 1 1 72 72 V H H 72 8.720 8.616 0.104
409 1 . 1 1 73 73 T N N 73 119.300 120.895 -1.595
410 1 . 1 1 73 73 T HA H 73 4.410 5.236 -0.826
411 1 . 1 1 73 73 T CA C 73 60.100 60.260 -0.160
412 1 . 1 1 73 73 T CB C 73 71.800 71.108 0.692
413 1 . 1 1 73 73 T H H 73 8.430 8.903 -0.473
414 1 . 1 1 74 74 Y N N 74 118.100 120.474 -2.374
415 1 . 1 1 74 74 Y HA H 74 5.530 6.105 -0.575
416 1 . 1 1 74 74 Y CA C 74 55.900 55.415 0.485
417 1 . 1 1 74 74 Y CB C 74 41.600 41.171 0.429
418 1 . 1 1 74 74 Y H H 74 8.120 8.468 -0.348
419 1 . 1 1 75 75 T N N 75 115.000 120.399 -5.399
420 1 . 1 1 75 75 T HA H 75 4.590 4.860 -0.270
421 1 . 1 1 75 75 T CA C 75 60.700 62.074 -1.374
422 1 . 1 1 75 75 T CB C 75 71.700 69.759 1.941
423 1 . 1 1 75 75 T H H 75 8.810 9.222 -0.412
424 1 . 1 1 76 76 I N N 76 124.400 128.753 -4.353
425 1 . 1 1 76 76 I HA H 76 4.800 4.463 0.337
426 1 . 1 1 76 76 I C C 76 175.300 175.299 0.001
427 1 . 1 1 76 76 I CA C 76 59.900 61.070 -1.170
428 1 . 1 1 76 76 I CB C 76 39.500 38.029 1.471
429 1 . 1 1 76 76 I H H 76 8.650 9.050 -0.400
430 1 . 1 1 77 77 R N N 77 125.900 127.920 -2.020
431 1 . 1 1 77 77 R HA H 77 4.570 4.631 -0.061
432 1 . 1 1 77 77 R CA C 77 55.100 55.916 -0.816
433 1 . 1 1 77 77 R CB C 77 32.500 30.674 1.826
434 1 . 1 1 77 77 R H H 77 8.680 8.832 -0.152
435 1 . 1 1 78 78 L N N 78 124.400 126.789 -2.389
436 1 . 1 1 78 78 L HA H 78 4.320 4.420 -0.100
437 1 . 1 1 78 78 L C C 78 177.000 176.525 0.475
438 1 . 1 1 78 78 L CA C 78 55.200 54.549 0.651
439 1 . 1 1 78 78 L CB C 78 42.200 42.254 -0.054
440 1 . 1 1 78 78 L H H 78 8.500 8.777 -0.277
441 1 . 1 1 79 79 E N N 79 121.300 125.367 -4.067
442 1 . 1 1 79 79 E HA H 79 4.150 4.405 -0.255
443 1 . 1 1 79 79 E C C 79 173.700 176.490 -2.790
444 1 . 1 1 79 79 E CA C 79 55.400 56.992 -1.592
445 1 . 1 1 79 79 E CB C 79 30.100 30.139 -0.039
446 1 . 1 1 79 79 E H H 79 8.310 8.618 -0.308
447 1 . 1 1 80 80 H N N 80 125.300 121.988 3.312
448 1 . 1 1 80 80 H HA H 80 4.580 5.603 -1.023
449 1 . 1 1 80 80 H CA C 80 57.100 53.354 3.746
450 1 . 1 1 80 80 H CB C 80 30.300 32.950 -2.650
451 1 . 1 1 80 80 H H H 80 8.090 8.572 -0.482
452 2 . 1 1 2 2 E N N 2 121.100 118.459 2.641
453 2 . 1 1 2 2 E HA H 2 5.260 5.571 -0.311
454 2 . 1 1 2 2 E C C 2 174.300 175.083 -0.783
455 2 . 1 1 2 2 E CA C 2 54.300 54.834 -0.534
456 2 . 1 1 2 2 E CB C 2 32.400 33.636 -1.236
457 2 . 1 1 2 2 E H H 2 8.720 8.173 0.547
458 2 . 1 1 3 3 M N N 3 122.600 121.626 0.974
459 2 . 1 1 3 3 M HA H 3 5.120 4.893 0.227
460 2 . 1 1 3 3 M C C 3 172.600 174.236 -1.636
461 2 . 1 1 3 3 M CA C 3 54.600 54.425 0.175
462 2 . 1 1 3 3 M CB C 3 37.000 35.678 1.322
463 2 . 1 1 3 3 M H H 3 8.990 8.657 0.333
464 2 . 1 1 4 4 D N N 4 126.300 126.810 -0.510
465 2 . 1 1 4 4 D HA H 4 5.650 5.127 0.523
466 2 . 1 1 4 4 D C C 4 175.000 175.261 -0.261
467 2 . 1 1 4 4 D CA C 4 52.600 53.986 -1.386
468 2 . 1 1 4 4 D CB C 4 41.800 41.835 -0.035
469 2 . 1 1 4 4 D H H 4 8.810 8.786 0.024
470 2 . 1 1 5 5 I N N 5 124.600 124.772 -0.172
471 2 . 1 1 5 5 I HA H 5 4.470 5.071 -0.601
472 2 . 1 1 5 5 I C C 5 173.600 175.412 -1.812
473 2 . 1 1 5 5 I CA C 5 60.500 59.382 1.118
474 2 . 1 1 5 5 I CB C 5 41.100 41.058 0.042
475 2 . 1 1 5 5 I H H 5 9.520 9.193 0.327
476 2 . 1 1 6 6 R N N 6 127.500 124.810 2.690
477 2 . 1 1 6 6 R HA H 6 5.410 5.569 -0.159
478 2 . 1 1 6 6 R C C 6 175.300 175.073 0.227
479 2 . 1 1 6 6 R CA C 6 54.400 54.588 -0.188
480 2 . 1 1 6 6 R CB C 6 32.500 32.354 0.146
481 2 . 1 1 6 6 R H H 6 8.970 9.165 -0.195
482 2 . 1 1 7 7 F N N 7 125.400 123.782 1.618
483 2 . 1 1 7 7 F HA H 7 5.720 5.071 0.649
484 2 . 1 1 7 7 F C C 7 174.800 174.898 -0.098
485 2 . 1 1 7 7 F CA C 7 56.000 57.912 -1.912
486 2 . 1 1 7 7 F CB C 7 42.300 40.047 2.253
487 2 . 1 1 7 7 F H H 7 9.530 8.921 0.609
488 2 . 1 1 8 8 R N N 8 121.100 124.851 -3.751
489 2 . 1 1 8 8 R HA H 8 5.700 5.408 0.292
490 2 . 1 1 8 8 R C C 8 175.400 175.330 0.070
491 2 . 1 1 8 8 R CA C 8 54.500 54.670 -0.170
492 2 . 1 1 8 8 R CB C 8 33.800 33.374 0.426
493 2 . 1 1 8 8 R H H 8 8.770 9.336 -0.566
494 2 . 1 1 9 9 G N N 9 111.500 112.723 -1.223
495 2 . 1 1 9 9 G C C 9 171.200 171.054 0.146
496 2 . 1 1 9 9 G CA C 9 45.200 45.889 -0.689
497 2 . 1 1 9 9 G H H 9 8.630 7.967 0.663
498 2 . 1 1 10 10 D N N 10 117.300 120.614 -3.314
499 2 . 1 1 10 10 D HA H 10 4.710 5.070 -0.360
500 2 . 1 1 10 10 D C C 10 175.300 174.338 0.962
501 2 . 1 1 10 10 D CA C 10 53.400 53.069 0.331
502 2 . 1 1 10 10 D CB C 10 41.400 41.822 -0.422
503 2 . 1 1 10 10 D H H 10 8.230 8.634 -0.404
504 2 . 1 1 11 11 D N N 11 119.000 124.692 -5.692
505 2 . 1 1 11 11 D HA H 11 4.690 5.014 -0.324
506 2 . 1 1 11 11 D C C 11 175.500 175.699 -0.199
507 2 . 1 1 11 11 D CA C 11 52.600 54.065 -1.465
508 2 . 1 1 11 11 D CB C 11 41.500 44.738 -3.238
509 2 . 1 1 11 11 D H H 11 7.400 8.260 -0.860
510 2 . 1 1 12 12 L N N 12 125.800 126.665 -0.865
511 2 . 1 1 12 12 L HA H 12 3.850 4.114 -0.264
512 2 . 1 1 12 12 L C C 12 179.100 178.749 0.351
513 2 . 1 1 12 12 L CA C 12 57.800 57.188 0.612
514 2 . 1 1 12 12 L CB C 12 41.700 42.386 -0.686
515 2 . 1 1 12 12 L H H 12 8.520 8.450 0.070
516 2 . 1 1 13 13 E N N 13 119.800 119.153 0.647
517 2 . 1 1 13 13 E HA H 13 3.980 3.970 0.010
518 2 . 1 1 13 13 E C C 13 178.600 179.162 -0.562
519 2 . 1 1 13 13 E CA C 13 59.300 59.423 -0.123
520 2 . 1 1 13 13 E CB C 13 29.100 29.027 0.073
521 2 . 1 1 13 13 E H H 13 8.140 8.164 -0.024
522 2 . 1 1 14 14 A N N 14 122.200 122.614 -0.414
523 2 . 1 1 14 14 A HA H 14 3.380 2.434 0.946
524 2 . 1 1 14 14 A C C 14 179.300 179.072 0.228
525 2 . 1 1 14 14 A CA C 14 54.400 54.095 0.305
526 2 . 1 1 14 14 A CB C 14 18.700 17.756 0.944
527 2 . 1 1 14 14 A H H 14 7.460 7.637 -0.177
528 2 . 1 1 15 15 F N N 15 115.400 119.723 -4.323
529 2 . 1 1 15 15 F HA H 15 3.850 3.960 -0.110
530 2 . 1 1 15 15 F C C 15 177.000 176.907 0.093
531 2 . 1 1 15 15 F CA C 15 57.700 61.006 -3.306
532 2 . 1 1 15 15 F CB C 15 37.500 39.329 -1.829
533 2 . 1 1 15 15 F H H 15 7.380 8.169 -0.789
534 2 . 1 1 16 16 E N N 16 118.800 119.272 -0.472
535 2 . 1 1 16 16 E HA H 16 3.660 3.519 0.141
536 2 . 1 1 16 16 E C C 16 178.700 178.688 0.012
537 2 . 1 1 16 16 E CA C 16 59.800 59.468 0.332
538 2 . 1 1 16 16 E CB C 16 29.100 28.846 0.254
539 2 . 1 1 16 16 E H H 16 7.990 8.054 -0.064
540 2 . 1 1 17 17 K N N 17 118.200 118.436 -0.236
541 2 . 1 1 17 17 K HA H 17 3.780 3.968 -0.188
542 2 . 1 1 17 17 K C C 17 179.000 178.835 0.165
543 2 . 1 1 17 17 K CA C 17 59.600 59.421 0.179
544 2 . 1 1 17 17 K CB C 17 32.400 32.433 -0.033
545 2 . 1 1 17 17 K H H 17 7.550 8.000 -0.450
546 2 . 1 1 18 18 A N N 18 122.400 121.829 0.571
547 2 . 1 1 18 18 A HA H 18 3.890 3.914 -0.024
548 2 . 1 1 18 18 A C C 18 178.900 179.449 -0.549
549 2 . 1 1 18 18 A CA C 18 54.800 54.768 0.032
550 2 . 1 1 18 18 A CB C 18 17.100 17.370 -0.270
551 2 . 1 1 18 18 A H H 18 8.060 7.672 0.388
552 2 . 1 1 19 19 L N N 19 118.700 119.565 -0.865
553 2 . 1 1 19 19 L HA H 19 3.690 3.875 -0.185
554 2 . 1 1 19 19 L C C 19 177.700 177.864 -0.164
555 2 . 1 1 19 19 L CA C 19 57.900 56.929 0.971
556 2 . 1 1 19 19 L CB C 19 41.700 41.169 0.531
557 2 . 1 1 19 19 L H H 19 8.280 7.343 0.937
558 2 . 1 1 20 20 K N N 20 116.600 119.002 -2.402
559 2 . 1 1 20 20 K HA H 20 3.780 3.810 -0.030
560 2 . 1 1 20 20 K C C 20 179.700 178.920 0.780
561 2 . 1 1 20 20 K CA C 20 60.000 59.747 0.253
562 2 . 1 1 20 20 K CB C 20 32.400 32.152 0.248
563 2 . 1 1 20 20 K H H 20 7.760 8.111 -0.351
564 2 . 1 1 21 21 E N N 21 118.700 118.635 0.065
565 2 . 1 1 21 21 E HA H 21 4.300 4.038 0.262
566 2 . 1 1 21 21 E C C 21 178.500 179.606 -1.106
567 2 . 1 1 21 21 E CA C 21 58.400 59.229 -0.829
568 2 . 1 1 21 21 E CB C 21 29.100 29.306 -0.206
569 2 . 1 1 21 21 E H H 21 7.750 8.079 -0.329
570 2 . 1 1 22 22 M N N 22 119.100 119.053 0.047
571 2 . 1 1 22 22 M HA H 22 4.390 4.197 0.193
572 2 . 1 1 22 22 M C C 22 178.800 179.059 -0.259
573 2 . 1 1 22 22 M CA C 22 57.300 58.857 -1.557
574 2 . 1 1 22 22 M CB C 22 31.200 33.029 -1.829
575 2 . 1 1 22 22 M H H 22 8.300 7.821 0.479
576 2 . 1 1 23 23 I N N 23 120.200 119.412 0.788
577 2 . 1 1 23 23 I HA H 23 3.550 3.633 -0.083
578 2 . 1 1 23 23 I C C 23 177.600 177.936 -0.336
579 2 . 1 1 23 23 I CA C 23 66.100 64.850 1.250
580 2 . 1 1 23 23 I CB C 23 37.700 37.449 0.251
581 2 . 1 1 23 23 I H H 23 8.460 7.857 0.603
582 2 . 1 1 24 24 R N N 24 120.200 120.913 -0.713
583 2 . 1 1 24 24 R HA H 24 3.890 3.815 0.075
584 2 . 1 1 24 24 R C C 24 179.400 178.892 0.508
585 2 . 1 1 24 24 R CA C 24 59.900 59.987 -0.087
586 2 . 1 1 24 24 R CB C 24 30.200 29.992 0.208
587 2 . 1 1 24 24 R H H 24 7.720 8.278 -0.558
588 2 . 1 1 25 25 Q N N 25 117.100 118.399 -1.299
589 2 . 1 1 25 25 Q HA H 25 3.930 4.044 -0.114
590 2 . 1 1 25 25 Q C C 25 177.600 178.537 -0.937
591 2 . 1 1 25 25 Q CA C 25 58.000 58.851 -0.851
592 2 . 1 1 25 25 Q CB C 25 27.800 28.420 -0.620
593 2 . 1 1 25 25 Q H H 25 8.190 7.996 0.194
594 2 . 1 1 26 26 A N N 26 120.300 122.698 -2.398
595 2 . 1 1 26 26 A HA H 26 3.690 4.195 -0.505
596 2 . 1 1 26 26 A C C 26 179.400 179.903 -0.503
597 2 . 1 1 26 26 A CA C 26 54.200 55.443 -1.243
598 2 . 1 1 26 26 A CB C 26 18.300 18.405 -0.105
599 2 . 1 1 26 26 A H H 26 8.240 8.438 -0.198
600 2 . 1 1 27 27 R N N 27 117.500 117.686 -0.186
601 2 . 1 1 27 27 R HA H 27 4.070 4.152 -0.082
602 2 . 1 1 27 27 R C C 27 178.900 179.248 -0.348
603 2 . 1 1 27 27 R CA C 27 58.500 59.915 -1.415
604 2 . 1 1 27 27 R CB C 27 29.700 29.812 -0.112
605 2 . 1 1 27 27 R H H 27 8.080 8.401 -0.321
606 2 . 1 1 28 28 K N N 28 119.100 118.167 0.933
607 2 . 1 1 28 28 K HA H 28 4.000 4.032 -0.032
608 2 . 1 1 28 28 K C C 28 176.900 176.781 0.119
609 2 . 1 1 28 28 K CA C 28 58.600 58.253 0.347
610 2 . 1 1 28 28 K CB C 28 32.100 30.982 1.118
611 2 . 1 1 28 28 K H H 28 7.520 8.599 -1.079
612 2 . 1 1 29 29 F N N 29 114.500 117.397 -2.897
613 2 . 1 1 29 29 F HA H 29 4.930 4.610 0.320
614 2 . 1 1 29 29 F C C 29 173.600 174.484 -0.884
615 2 . 1 1 29 29 F CA C 29 55.800 57.477 -1.677
616 2 . 1 1 29 29 F CB C 29 39.000 39.042 -0.042
617 2 . 1 1 29 29 F H H 29 7.010 7.610 -0.600
618 2 . 1 1 30 30 A N N 30 121.600 120.123 1.477
619 2 . 1 1 30 30 A HA H 30 4.130 4.026 0.104
620 2 . 1 1 30 30 A C C 30 176.700 176.990 -0.290
621 2 . 1 1 30 30 A CA C 30 52.900 53.624 -0.724
622 2 . 1 1 30 30 A CB C 30 17.000 17.859 -0.859
623 2 . 1 1 30 30 A H H 30 7.830 8.045 -0.215
624 2 . 1 1 31 31 G N N 31 105.400 105.506 -0.106
625 2 . 1 1 31 31 G C C 31 173.100 172.823 0.277
626 2 . 1 1 31 31 G CA C 31 45.100 45.593 -0.493
627 2 . 1 1 31 31 G H H 31 7.950 8.449 -0.499
628 2 . 1 1 32 32 T N N 32 115.700 119.582 -3.882
629 2 . 1 1 32 32 T HA H 32 4.580 4.761 -0.181
630 2 . 1 1 32 32 T C C 32 173.100 174.112 -1.012
631 2 . 1 1 32 32 T CA C 32 61.900 63.136 -1.236
632 2 . 1 1 32 32 T CB C 32 70.500 69.376 1.124
633 2 . 1 1 32 32 T H H 32 8.220 9.111 -0.891
634 2 . 1 1 33 33 V N N 33 125.300 127.911 -2.611
635 2 . 1 1 33 33 V HA H 33 5.150 4.888 0.262
636 2 . 1 1 33 33 V C C 33 175.300 174.570 0.730
637 2 . 1 1 33 33 V CA C 33 60.800 60.900 -0.100
638 2 . 1 1 33 33 V CB C 33 34.300 33.334 0.966
639 2 . 1 1 33 33 V H H 33 8.610 9.085 -0.475
640 2 . 1 1 34 34 T N N 34 120.200 122.779 -2.579
641 2 . 1 1 34 34 T HA H 34 4.670 5.201 -0.531
642 2 . 1 1 34 34 T CA C 34 60.200 59.606 0.594
643 2 . 1 1 34 34 T CB C 34 71.600 71.503 0.097
644 2 . 1 1 34 34 T H H 34 8.890 8.919 -0.029
645 2 . 1 1 35 35 Y N N 35 118.100 123.942 -5.842
646 2 . 1 1 35 35 Y HA H 35 5.720 6.341 -0.621
647 2 . 1 1 35 35 Y C C 35 174.400 173.372 1.028
648 2 . 1 1 35 35 Y CA C 35 56.200 55.405 0.795
649 2 . 1 1 35 35 Y CB C 35 41.800 42.281 -0.481
650 2 . 1 1 35 35 Y H H 35 8.360 8.585 -0.225
651 2 . 1 1 36 36 T N N 36 115.200 113.095 2.105
652 2 . 1 1 36 36 T HA H 36 4.400 5.019 -0.619
653 2 . 1 1 36 36 T CA C 36 60.200 60.554 -0.354
654 2 . 1 1 36 36 T CB C 36 71.800 71.905 -0.105
655 2 . 1 1 36 36 T H H 36 9.020 9.296 -0.276
656 2 . 1 1 37 37 L N N 37 129.300 126.099 3.201
657 2 . 1 1 37 37 L HA H 37 5.020 4.745 0.275
658 2 . 1 1 37 37 L C C 37 174.900 174.833 0.067
659 2 . 1 1 37 37 L CA C 37 54.400 54.480 -0.080
660 2 . 1 1 37 37 L CB C 37 43.800 41.405 2.395
661 2 . 1 1 37 37 L H H 37 8.850 8.898 -0.048
662 2 . 1 1 38 38 D N N 38 127.200 125.126 2.074
663 2 . 1 1 38 38 D HA H 38 4.850 4.965 -0.115
664 2 . 1 1 38 38 D CA C 38 53.000 52.443 0.557
665 2 . 1 1 38 38 D CB C 38 42.300 41.664 0.636
666 2 . 1 1 38 38 D H H 38 8.740 8.913 -0.173
667 2 . 1 1 39 39 G N N 39 114.000 115.496 -1.496
668 2 . 1 1 39 39 G C C 39 174.000 174.778 -0.778
669 2 . 1 1 39 39 G CA C 39 47.400 47.302 0.098
670 2 . 1 1 39 39 G H H 39 8.700 8.910 -0.210
671 2 . 1 1 40 40 N N N 40 124.400 124.204 0.196
672 2 . 1 1 40 40 N HA H 40 5.070 4.806 0.264
673 2 . 1 1 40 40 N C C 40 173.100 174.393 -1.293
674 2 . 1 1 40 40 N CA C 40 53.200 53.428 -0.228
675 2 . 1 1 40 40 N CB C 40 39.300 39.649 -0.349
676 2 . 1 1 40 40 N H H 40 8.740 8.693 0.047
677 2 . 1 1 41 41 D N N 41 118.500 116.931 1.569
678 2 . 1 1 41 41 D HA H 41 5.410 5.438 -0.028
679 2 . 1 1 41 41 D C C 41 173.600 173.755 -0.155
680 2 . 1 1 41 41 D CA C 41 53.700 52.910 0.790
681 2 . 1 1 41 41 D CB C 41 43.800 43.993 -0.193
682 2 . 1 1 41 41 D H H 41 7.980 7.688 0.292
683 2 . 1 1 42 42 L N N 42 125.100 123.838 1.262
684 2 . 1 1 42 42 L HA H 42 4.960 5.096 -0.136
685 2 . 1 1 42 42 L C C 42 173.600 175.462 -1.862
686 2 . 1 1 42 42 L CA C 42 53.400 54.014 -0.614
687 2 . 1 1 42 42 L CB C 42 43.700 44.490 -0.790
688 2 . 1 1 42 42 L H H 42 8.520 9.094 -0.574
689 2 . 1 1 43 43 E N N 43 127.800 126.712 1.088
690 2 . 1 1 43 43 E HA H 43 5.280 5.143 0.137
691 2 . 1 1 43 43 E C C 43 174.900 175.940 -1.040
692 2 . 1 1 43 43 E CA C 43 54.500 56.264 -1.764
693 2 . 1 1 43 43 E CB C 43 32.000 30.320 1.680
694 2 . 1 1 43 43 E H H 43 8.990 9.043 -0.053
695 2 . 1 1 44 44 I N N 44 126.300 124.946 1.354
696 2 . 1 1 44 44 I HA H 44 4.760 5.111 -0.351
697 2 . 1 1 44 44 I C C 44 173.800 174.431 -0.631
698 2 . 1 1 44 44 I CA C 44 60.000 60.560 -0.560
699 2 . 1 1 44 44 I CB C 44 41.200 40.932 0.268
700 2 . 1 1 44 44 I H H 44 9.590 9.190 0.400
701 2 . 1 1 45 45 R N N 45 127.800 129.364 -1.564
702 2 . 1 1 45 45 R HA H 45 5.250 5.625 -0.375
703 2 . 1 1 45 45 R C C 45 175.300 174.553 0.747
704 2 . 1 1 45 45 R CA C 45 55.000 54.512 0.488
705 2 . 1 1 45 45 R CB C 45 31.700 33.262 -1.562
706 2 . 1 1 45 45 R H H 45 9.130 9.476 -0.346
707 2 . 1 1 46 46 I N N 46 125.800 128.916 -3.116
708 2 . 1 1 46 46 I HA H 46 5.150 5.042 0.108
709 2 . 1 1 46 46 I C C 46 175.600 175.080 0.520
710 2 . 1 1 46 46 I CA C 46 60.100 60.212 -0.112
711 2 . 1 1 46 46 I CB C 46 39.900 39.110 0.790
712 2 . 1 1 46 46 I H H 46 9.180 8.736 0.444
713 2 . 1 1 47 47 T N N 47 118.800 120.829 -2.029
714 2 . 1 1 47 47 T HA H 47 5.010 4.820 0.190
715 2 . 1 1 47 47 T C C 47 174.300 175.209 -0.909
716 2 . 1 1 47 47 T CA C 47 60.100 61.184 -1.084
717 2 . 1 1 47 47 T CB C 47 70.900 71.553 -0.653
718 2 . 1 1 47 47 T H H 47 9.020 8.989 0.031
719 2 . 1 1 48 48 G N N 48 109.000 114.465 -5.465
720 2 . 1 1 48 48 G C C 48 174.700 174.237 0.463
721 2 . 1 1 48 48 G CA C 48 46.200 45.293 0.907
722 2 . 1 1 48 48 G H H 48 8.350 8.695 -0.345
723 2 . 1 1 49 49 V N N 49 114.200 118.637 -4.437
724 2 . 1 1 49 49 V HA H 49 4.260 4.264 -0.004
725 2 . 1 1 49 49 V CA C 49 58.200 60.106 -1.906
726 2 . 1 1 49 49 V CB C 49 32.500 32.122 0.378
727 2 . 1 1 49 49 V H H 49 7.760 7.254 0.506
728 2 . 1 1 50 50 P HA H 50 4.580 4.605 -0.025
729 2 . 1 1 50 50 P C C 50 177.200 177.428 -0.228
730 2 . 1 1 50 50 P CA C 50 61.800 62.349 -0.549
731 2 . 1 1 50 50 P CB C 50 32.500 32.915 -0.415
732 2 . 1 1 51 51 E N N 51 123.400 122.604 0.796
733 2 . 1 1 51 51 E HA H 51 4.000 4.003 -0.003
734 2 . 1 1 51 51 E C C 51 178.500 178.680 -0.180
735 2 . 1 1 51 51 E CA C 51 59.500 59.431 0.069
736 2 . 1 1 51 51 E CB C 51 29.300 29.235 0.065
737 2 . 1 1 51 51 E H H 51 8.890 8.685 0.205
738 2 . 1 1 52 52 Q N N 52 115.200 118.557 -3.357
739 2 . 1 1 52 52 Q HA H 52 4.100 4.034 0.066
740 2 . 1 1 52 52 Q C C 52 177.300 178.150 -0.850
741 2 . 1 1 52 52 Q CA C 52 58.600 58.619 -0.019
742 2 . 1 1 52 52 Q CB C 52 27.700 28.133 -0.433
743 2 . 1 1 52 52 Q H H 52 8.910 8.121 0.789
744 2 . 1 1 53 53 V N N 53 114.900 120.829 -5.929
745 2 . 1 1 53 53 V HA H 53 4.120 3.450 0.670
746 2 . 1 1 53 53 V C C 53 176.100 177.650 -1.550
747 2 . 1 1 53 53 V CA C 53 62.100 66.611 -4.511
748 2 . 1 1 53 53 V CB C 53 31.900 30.968 0.932
749 2 . 1 1 53 53 V H H 53 7.080 7.759 -0.679
750 2 . 1 1 54 54 R N N 54 121.500 120.162 1.338
751 2 . 1 1 54 54 R HA H 54 3.620 3.916 -0.296
752 2 . 1 1 54 54 R C C 54 177.100 179.019 -1.919
753 2 . 1 1 54 54 R CA C 54 60.400 59.622 0.778
754 2 . 1 1 54 54 R CB C 54 29.700 29.915 -0.215
755 2 . 1 1 54 54 R H H 54 7.510 8.004 -0.494
756 2 . 1 1 55 55 K N N 55 116.800 118.298 -1.498
757 2 . 1 1 55 55 K HA H 55 3.890 4.022 -0.132
758 2 . 1 1 55 55 K C C 55 176.000 179.756 -3.756
759 2 . 1 1 55 55 K CA C 55 59.600 59.728 -0.128
760 2 . 1 1 55 55 K CB C 55 31.800 32.340 -0.540
761 2 . 1 1 55 55 K H H 55 8.170 7.363 0.807
762 2 . 1 1 56 56 E N N 56 120.200 119.881 0.319
763 2 . 1 1 56 56 E HA H 56 4.050 3.999 0.051
764 2 . 1 1 56 56 E CA C 56 59.100 58.924 0.176
765 2 . 1 1 56 56 E CB C 56 29.200 29.488 -0.288
766 2 . 1 1 56 56 E H H 56 7.600 7.640 -0.040
767 2 . 1 1 57 57 L N N 57 120.200 120.291 -0.091
768 2 . 1 1 57 57 L HA H 57 3.970 4.014 -0.044
769 2 . 1 1 57 57 L C C 57 178.300 179.476 -1.176
770 2 . 1 1 57 57 L CA C 57 57.700 57.833 -0.133
771 2 . 1 1 57 57 L CB C 57 42.000 41.062 0.938
772 2 . 1 1 57 57 L H H 57 7.980 8.348 -0.368
773 2 . 1 1 58 58 A N N 58 120.600 121.799 -1.199
774 2 . 1 1 58 58 A HA H 58 3.400 3.727 -0.327
775 2 . 1 1 58 58 A C C 58 178.600 179.696 -1.096
776 2 . 1 1 58 58 A CA C 58 55.200 54.662 0.538
777 2 . 1 1 58 58 A CB C 58 17.600 17.900 -0.300
778 2 . 1 1 58 58 A H H 58 7.820 7.988 -0.168
779 2 . 1 1 59 59 K N N 59 116.600 117.685 -1.085
780 2 . 1 1 59 59 K HA H 59 3.990 4.055 -0.065
781 2 . 1 1 59 59 K C C 59 179.900 178.291 1.609
782 2 . 1 1 59 59 K CA C 59 59.400 59.109 0.291
783 2 . 1 1 59 59 K CB C 59 32.000 31.900 0.100
784 2 . 1 1 59 59 K H H 59 7.630 7.483 0.147
785 2 . 1 1 60 60 E N N 60 120.700 118.929 1.771
786 2 . 1 1 60 60 E HA H 60 4.390 4.058 0.332
787 2 . 1 1 60 60 E C C 60 178.100 178.381 -0.281
788 2 . 1 1 60 60 E CA C 60 58.100 59.576 -1.476
789 2 . 1 1 60 60 E CB C 60 28.800 29.208 -0.408
790 2 . 1 1 60 60 E H H 60 7.950 8.176 -0.226
791 2 . 1 1 61 61 A N N 61 122.400 122.116 0.284
792 2 . 1 1 61 61 A HA H 61 4.160 4.368 -0.208
793 2 . 1 1 61 61 A C C 61 179.100 180.274 -1.174
794 2 . 1 1 61 61 A CA C 61 56.000 55.003 0.997
795 2 . 1 1 61 61 A CB C 61 17.300 18.535 -1.235
796 2 . 1 1 61 61 A H H 61 8.300 7.941 0.359
797 2 . 1 1 62 62 E N N 62 115.600 117.867 -2.267
798 2 . 1 1 62 62 E HA H 62 4.040 4.096 -0.056
799 2 . 1 1 62 62 E C C 62 179.200 179.221 -0.021
800 2 . 1 1 62 62 E CA C 62 59.200 59.676 -0.476
801 2 . 1 1 62 62 E CB C 62 29.300 29.508 -0.208
802 2 . 1 1 62 62 E H H 62 8.100 8.212 -0.112
803 2 . 1 1 63 63 R N N 63 122.800 120.522 2.278
804 2 . 1 1 63 63 R HA H 63 4.040 4.123 -0.083
805 2 . 1 1 63 63 R C C 63 179.100 178.927 0.173
806 2 . 1 1 63 63 R CA C 63 59.600 59.039 0.561
807 2 . 1 1 63 63 R CB C 63 29.800 29.749 0.051
808 2 . 1 1 63 63 R H H 63 8.250 7.374 0.876
809 2 . 1 1 64 64 L N N 64 120.800 120.136 0.664
810 2 . 1 1 64 64 L HA H 64 3.870 4.128 -0.258
811 2 . 1 1 64 64 L C C 64 178.200 179.362 -1.162
812 2 . 1 1 64 64 L CA C 64 57.500 58.118 -0.618
813 2 . 1 1 64 64 L CB C 64 42.300 41.703 0.597
814 2 . 1 1 64 64 L H H 64 8.460 8.455 0.005
815 2 . 1 1 65 65 A N N 65 120.200 121.592 -1.392
816 2 . 1 1 65 65 A HA H 65 4.050 4.362 -0.312
817 2 . 1 1 65 65 A C C 65 179.500 180.096 -0.596
818 2 . 1 1 65 65 A CA C 65 55.200 56.026 -0.826
819 2 . 1 1 65 65 A CB C 65 17.900 18.487 -0.587
820 2 . 1 1 65 65 A H H 65 8.190 8.444 -0.254
821 2 . 1 1 66 66 K N N 66 116.500 117.461 -0.961
822 2 . 1 1 66 66 K HA H 66 4.190 4.100 0.090
823 2 . 1 1 66 66 K C C 66 178.800 179.802 -1.002
824 2 . 1 1 66 66 K CA C 66 58.900 59.523 -0.623
825 2 . 1 1 66 66 K CB C 66 32.300 32.221 0.079
826 2 . 1 1 66 66 K H H 66 7.700 8.072 -0.372
827 2 . 1 1 67 67 E N N 67 120.200 121.041 -0.841
828 2 . 1 1 67 67 E HA H 67 3.840 3.923 -0.083
829 2 . 1 1 67 67 E C C 67 178.000 178.048 -0.048
830 2 . 1 1 67 67 E CA C 67 59.100 59.334 -0.234
831 2 . 1 1 67 67 E H H 67 8.270 8.159 0.111
832 2 . 1 1 68 68 F N N 68 113.400 116.662 -3.262
833 2 . 1 1 68 68 F HA H 68 4.760 4.591 0.169
834 2 . 1 1 68 68 F C C 68 174.400 174.885 -0.485
835 2 . 1 1 68 68 F CA C 68 56.300 57.831 -1.531
836 2 . 1 1 68 68 F CB C 68 39.400 39.694 -0.294
837 2 . 1 1 68 68 F H H 68 7.800 7.309 0.491
838 2 . 1 1 69 69 N N N 69 118.200 117.748 0.452
839 2 . 1 1 69 69 N HA H 69 4.510 4.370 0.140
840 2 . 1 1 69 69 N CA C 69 54.200 54.306 -0.106
841 2 . 1 1 69 69 N CB C 69 37.000 37.611 -0.611
842 2 . 1 1 69 69 N H H 69 7.950 8.049 -0.099
843 2 . 1 1 70 70 I N N 70 113.900 114.644 -0.744
844 2 . 1 1 70 70 I HA H 70 4.950 4.773 0.177
845 2 . 1 1 70 70 I CA C 70 59.800 59.300 0.500
846 2 . 1 1 70 70 I CB C 70 40.000 40.708 -0.708
847 2 . 1 1 70 70 I H H 70 8.480 8.013 0.467
848 2 . 1 1 71 71 T N N 71 113.600 113.018 0.582
849 2 . 1 1 71 71 T HA H 71 4.820 5.073 -0.253
850 2 . 1 1 71 71 T C C 71 173.500 173.605 -0.105
851 2 . 1 1 71 71 T CA C 71 61.500 60.355 1.145
852 2 . 1 1 71 71 T CB C 71 71.200 70.528 0.672
853 2 . 1 1 71 71 T H H 71 8.520 8.633 -0.113
854 2 . 1 1 72 72 V N N 72 122.600 122.437 0.163
855 2 . 1 1 72 72 V HA H 72 5.330 4.929 0.401
856 2 . 1 1 72 72 V C C 72 173.200 174.157 -0.957
857 2 . 1 1 72 72 V CA C 72 59.200 59.865 -0.665
858 2 . 1 1 72 72 V CB C 72 35.800 34.346 1.454
859 2 . 1 1 72 72 V H H 72 8.720 8.836 -0.116
860 2 . 1 1 73 73 T N N 73 119.300 121.309 -2.009
861 2 . 1 1 73 73 T HA H 73 4.410 5.155 -0.745
862 2 . 1 1 73 73 T CA C 73 60.100 59.546 0.554
863 2 . 1 1 73 73 T CB C 73 71.800 71.097 0.703
864 2 . 1 1 73 73 T H H 73 8.430 8.759 -0.329
865 2 . 1 1 74 74 Y N N 74 118.100 119.023 -0.923
866 2 . 1 1 74 74 Y HA H 74 5.530 5.867 -0.337
867 2 . 1 1 74 74 Y CA C 74 55.900 55.945 -0.045
868 2 . 1 1 74 74 Y CB C 74 41.600 41.900 -0.300
869 2 . 1 1 74 74 Y H H 74 8.120 8.479 -0.359
870 2 . 1 1 75 75 T N N 75 115.000 115.499 -0.499
871 2 . 1 1 75 75 T HA H 75 4.590 5.144 -0.554
872 2 . 1 1 75 75 T CA C 75 60.700 61.541 -0.841
873 2 . 1 1 75 75 T CB C 75 71.700 71.879 -0.179
874 2 . 1 1 75 75 T H H 75 8.810 9.115 -0.305
875 2 . 1 1 76 76 I N N 76 124.400 128.417 -4.017
876 2 . 1 1 76 76 I HA H 76 4.800 4.781 0.019
877 2 . 1 1 76 76 I C C 76 175.300 175.470 -0.170
878 2 . 1 1 76 76 I CA C 76 59.900 60.391 -0.491
879 2 . 1 1 76 76 I CB C 76 39.500 38.554 0.946
880 2 . 1 1 76 76 I H H 76 8.650 9.034 -0.384
881 2 . 1 1 77 77 R N N 77 125.900 125.920 -0.020
882 2 . 1 1 77 77 R HA H 77 4.570 5.298 -0.728
883 2 . 1 1 77 77 R CA C 77 55.100 54.891 0.209
884 2 . 1 1 77 77 R CB C 77 32.500 32.888 -0.388
885 2 . 1 1 77 77 R H H 77 8.680 8.798 -0.118
886 2 . 1 1 78 78 L N N 78 124.400 123.597 0.803
887 2 . 1 1 78 78 L HA H 78 4.320 5.095 -0.775
888 2 . 1 1 78 78 L C C 78 177.000 175.082 1.918
889 2 . 1 1 78 78 L CA C 78 55.200 53.643 1.557
890 2 . 1 1 78 78 L CB C 78 42.200 46.201 -4.001
891 2 . 1 1 78 78 L H H 78 8.500 8.954 -0.454
892 2 . 1 1 79 79 E N N 79 121.300 124.812 -3.512
893 2 . 1 1 79 79 E HA H 79 4.150 4.447 -0.297
894 2 . 1 1 79 79 E C C 79 173.700 175.917 -2.217
895 2 . 1 1 79 79 E CA C 79 55.400 56.013 -0.613
896 2 . 1 1 79 79 E CB C 79 30.100 28.798 1.302
897 2 . 1 1 79 79 E H H 79 8.310 8.565 -0.255
898 2 . 1 1 80 80 H N N 80 125.300 120.671 4.629
899 2 . 1 1 80 80 H HA H 80 4.580 5.111 -0.531
900 2 . 1 1 80 80 H CA C 80 57.100 54.534 2.566
901 2 . 1 1 80 80 H CB C 80 30.300 31.116 -0.816
902 2 . 1 1 80 80 H H H 80 8.090 7.760 0.330
903 3 . 1 1 2 2 E N N 2 121.100 126.735 -5.635
904 3 . 1 1 2 2 E HA H 2 5.260 5.349 -0.089
905 3 . 1 1 2 2 E C C 2 174.300 175.525 -1.225
906 3 . 1 1 2 2 E CA C 2 54.300 55.015 -0.715
907 3 . 1 1 2 2 E CB C 2 32.400 32.742 -0.342
908 3 . 1 1 2 2 E H H 2 8.720 8.996 -0.276
909 3 . 1 1 3 3 M N N 3 122.600 119.893 2.707
910 3 . 1 1 3 3 M HA H 3 5.120 5.360 -0.240
911 3 . 1 1 3 3 M C C 3 172.600 173.911 -1.311
912 3 . 1 1 3 3 M CA C 3 54.600 53.811 0.789
913 3 . 1 1 3 3 M CB C 3 37.000 35.184 1.816
914 3 . 1 1 3 3 M H H 3 8.990 8.695 0.295
915 3 . 1 1 4 4 D N N 4 126.300 124.299 2.001
916 3 . 1 1 4 4 D HA H 4 5.650 5.208 0.442
917 3 . 1 1 4 4 D C C 4 175.000 175.337 -0.337
918 3 . 1 1 4 4 D CA C 4 52.600 53.906 -1.306
919 3 . 1 1 4 4 D CB C 4 41.800 42.278 -0.478
920 3 . 1 1 4 4 D H H 4 8.810 8.704 0.106
921 3 . 1 1 5 5 I N N 5 124.600 124.145 0.455
922 3 . 1 1 5 5 I HA H 5 4.470 4.666 -0.196
923 3 . 1 1 5 5 I C C 5 173.600 174.767 -1.167
924 3 . 1 1 5 5 I CA C 5 60.500 60.588 -0.088
925 3 . 1 1 5 5 I CB C 5 41.100 40.525 0.575
926 3 . 1 1 5 5 I H H 5 9.520 9.090 0.430
927 3 . 1 1 6 6 R N N 6 127.500 127.567 -0.067
928 3 . 1 1 6 6 R HA H 6 5.410 5.198 0.212
929 3 . 1 1 6 6 R C C 6 175.300 175.106 0.194
930 3 . 1 1 6 6 R CA C 6 54.400 54.844 -0.444
931 3 . 1 1 6 6 R CB C 6 32.500 31.813 0.687
932 3 . 1 1 6 6 R H H 6 8.970 9.309 -0.339
933 3 . 1 1 7 7 F N N 7 125.400 122.575 2.825
934 3 . 1 1 7 7 F HA H 7 5.720 4.982 0.738
935 3 . 1 1 7 7 F C C 7 174.800 174.558 0.242
936 3 . 1 1 7 7 F CA C 7 56.000 56.720 -0.720
937 3 . 1 1 7 7 F CB C 7 42.300 41.004 1.296
938 3 . 1 1 7 7 F H H 7 9.530 9.193 0.337
939 3 . 1 1 8 8 R N N 8 121.100 124.452 -3.352
940 3 . 1 1 8 8 R HA H 8 5.700 5.314 0.386
941 3 . 1 1 8 8 R C C 8 175.400 175.028 0.372
942 3 . 1 1 8 8 R CA C 8 54.500 55.042 -0.542
943 3 . 1 1 8 8 R CB C 8 33.800 34.057 -0.257
944 3 . 1 1 8 8 R H H 8 8.770 9.191 -0.421
945 3 . 1 1 9 9 G N N 9 111.500 111.771 -0.271
946 3 . 1 1 9 9 G C C 9 171.200 171.416 -0.216
947 3 . 1 1 9 9 G CA C 9 45.200 45.573 -0.373
948 3 . 1 1 9 9 G H H 9 8.630 8.440 0.190
949 3 . 1 1 10 10 D N N 10 117.300 121.344 -4.044
950 3 . 1 1 10 10 D HA H 10 4.710 5.017 -0.307
951 3 . 1 1 10 10 D C C 10 175.300 174.806 0.494
952 3 . 1 1 10 10 D CA C 10 53.400 53.396 0.004
953 3 . 1 1 10 10 D CB C 10 41.400 39.396 2.004
954 3 . 1 1 10 10 D H H 10 8.230 8.564 -0.334
955 3 . 1 1 11 11 D N N 11 119.000 124.335 -5.335
956 3 . 1 1 11 11 D HA H 11 4.690 5.095 -0.405
957 3 . 1 1 11 11 D C C 11 175.500 175.261 0.239
958 3 . 1 1 11 11 D CA C 11 52.600 53.662 -1.062
959 3 . 1 1 11 11 D CB C 11 41.500 43.633 -2.133
960 3 . 1 1 11 11 D H H 11 7.400 7.815 -0.415
961 3 . 1 1 12 12 L N N 12 125.800 123.981 1.819
962 3 . 1 1 12 12 L HA H 12 3.850 4.383 -0.533
963 3 . 1 1 12 12 L C C 12 179.100 178.756 0.344
964 3 . 1 1 12 12 L CA C 12 57.800 56.376 1.424
965 3 . 1 1 12 12 L CB C 12 41.700 43.992 -2.292
966 3 . 1 1 12 12 L H H 12 8.520 8.369 0.151
967 3 . 1 1 13 13 E N N 13 119.800 118.770 1.030
968 3 . 1 1 13 13 E HA H 13 3.980 4.030 -0.050
969 3 . 1 1 13 13 E C C 13 178.600 179.488 -0.888
970 3 . 1 1 13 13 E CA C 13 59.300 59.294 0.006
971 3 . 1 1 13 13 E CB C 13 29.100 28.917 0.183
972 3 . 1 1 13 13 E H H 13 8.140 8.079 0.061
973 3 . 1 1 14 14 A N N 14 122.200 122.530 -0.330
974 3 . 1 1 14 14 A HA H 14 3.380 3.386 -0.006
975 3 . 1 1 14 14 A C C 14 179.300 179.196 0.104
976 3 . 1 1 14 14 A CA C 14 54.400 54.312 0.088
977 3 . 1 1 14 14 A CB C 14 18.700 17.394 1.306
978 3 . 1 1 14 14 A H H 14 7.460 7.842 -0.382
979 3 . 1 1 15 15 F N N 15 115.400 119.986 -4.586
980 3 . 1 1 15 15 F HA H 15 3.850 3.945 -0.095
981 3 . 1 1 15 15 F C C 15 177.000 177.360 -0.360
982 3 . 1 1 15 15 F CA C 15 57.700 61.220 -3.520
983 3 . 1 1 15 15 F CB C 15 37.500 39.501 -2.001
984 3 . 1 1 15 15 F H H 15 7.380 8.019 -0.639
985 3 . 1 1 16 16 E N N 16 118.800 118.058 0.742
986 3 . 1 1 16 16 E HA H 16 3.660 3.809 -0.149
987 3 . 1 1 16 16 E C C 16 178.700 178.876 -0.176
988 3 . 1 1 16 16 E CA C 16 59.800 59.270 0.530
989 3 . 1 1 16 16 E CB C 16 29.100 29.155 -0.055
990 3 . 1 1 16 16 E H H 16 7.990 8.433 -0.443
991 3 . 1 1 17 17 K N N 17 118.200 119.563 -1.363
992 3 . 1 1 17 17 K HA H 17 3.780 3.985 -0.205
993 3 . 1 1 17 17 K C C 17 179.000 179.085 -0.085
994 3 . 1 1 17 17 K CA C 17 59.600 59.540 0.060
995 3 . 1 1 17 17 K CB C 17 32.400 32.546 -0.146
996 3 . 1 1 17 17 K H H 17 7.550 8.110 -0.560
997 3 . 1 1 18 18 A N N 18 122.400 121.589 0.811
998 3 . 1 1 18 18 A HA H 18 3.890 3.787 0.103
999 3 . 1 1 18 18 A C C 18 178.900 179.778 -0.878
1000 3 . 1 1 18 18 A CA C 18 54.800 54.695 0.105
1001 3 . 1 1 18 18 A CB C 18 17.100 17.757 -0.657
1002 3 . 1 1 18 18 A H H 18 8.060 7.559 0.501
1003 3 . 1 1 19 19 L N N 19 118.700 119.239 -0.539
1004 3 . 1 1 19 19 L HA H 19 3.690 3.885 -0.195
1005 3 . 1 1 19 19 L C C 19 177.700 178.121 -0.421
1006 3 . 1 1 19 19 L CA C 19 57.900 57.482 0.418
1007 3 . 1 1 19 19 L CB C 19 41.700 41.387 0.313
1008 3 . 1 1 19 19 L H H 19 8.280 7.414 0.866
1009 3 . 1 1 20 20 K N N 20 116.600 118.595 -1.995
1010 3 . 1 1 20 20 K HA H 20 3.780 3.845 -0.065
1011 3 . 1 1 20 20 K C C 20 179.700 178.825 0.875
1012 3 . 1 1 20 20 K CA C 20 60.000 59.738 0.262
1013 3 . 1 1 20 20 K CB C 20 32.400 32.165 0.235
1014 3 . 1 1 20 20 K H H 20 7.760 8.231 -0.471
1015 3 . 1 1 21 21 E N N 21 118.700 118.986 -0.286
1016 3 . 1 1 21 21 E HA H 21 4.300 4.008 0.292
1017 3 . 1 1 21 21 E C C 21 178.500 179.726 -1.226
1018 3 . 1 1 21 21 E CA C 21 58.400 59.448 -1.048
1019 3 . 1 1 21 21 E CB C 21 29.100 29.391 -0.291
1020 3 . 1 1 21 21 E H H 21 7.750 7.760 -0.010
1021 3 . 1 1 22 22 M N N 22 119.100 119.240 -0.140
1022 3 . 1 1 22 22 M HA H 22 4.390 4.145 0.245
1023 3 . 1 1 22 22 M C C 22 178.800 178.894 -0.094
1024 3 . 1 1 22 22 M CA C 22 57.300 58.790 -1.490
1025 3 . 1 1 22 22 M CB C 22 31.200 32.921 -1.721
1026 3 . 1 1 22 22 M H H 22 8.300 7.821 0.479
1027 3 . 1 1 23 23 I N N 23 120.200 119.353 0.847
1028 3 . 1 1 23 23 I HA H 23 3.550 3.603 -0.053
1029 3 . 1 1 23 23 I C C 23 177.600 177.919 -0.319
1030 3 . 1 1 23 23 I CA C 23 66.100 64.856 1.244
1031 3 . 1 1 23 23 I CB C 23 37.700 37.571 0.129
1032 3 . 1 1 23 23 I H H 23 8.460 7.987 0.473
1033 3 . 1 1 24 24 R N N 24 120.200 120.596 -0.396
1034 3 . 1 1 24 24 R HA H 24 3.890 3.840 0.050
1035 3 . 1 1 24 24 R C C 24 179.400 178.337 1.063
1036 3 . 1 1 24 24 R CA C 24 59.900 59.662 0.238
1037 3 . 1 1 24 24 R CB C 24 30.200 29.696 0.504
1038 3 . 1 1 24 24 R H H 24 7.720 8.279 -0.559
1039 3 . 1 1 25 25 Q N N 25 117.100 118.334 -1.234
1040 3 . 1 1 25 25 Q HA H 25 3.930 4.022 -0.092
1041 3 . 1 1 25 25 Q C C 25 177.600 178.442 -0.842
1042 3 . 1 1 25 25 Q CA C 25 58.000 58.578 -0.578
1043 3 . 1 1 25 25 Q CB C 25 27.800 28.739 -0.939
1044 3 . 1 1 25 25 Q H H 25 8.190 7.943 0.247
1045 3 . 1 1 26 26 A N N 26 120.300 122.506 -2.206
1046 3 . 1 1 26 26 A HA H 26 3.690 4.221 -0.531
1047 3 . 1 1 26 26 A C C 26 179.400 179.748 -0.348
1048 3 . 1 1 26 26 A CA C 26 54.200 55.159 -0.959
1049 3 . 1 1 26 26 A CB C 26 18.300 18.383 -0.083
1050 3 . 1 1 26 26 A H H 26 8.240 8.569 -0.329
1051 3 . 1 1 27 27 R N N 27 117.500 116.915 0.585
1052 3 . 1 1 27 27 R HA H 27 4.070 4.093 -0.023
1053 3 . 1 1 27 27 R C C 27 178.900 178.555 0.345
1054 3 . 1 1 27 27 R CA C 27 58.500 58.904 -0.404
1055 3 . 1 1 27 27 R CB C 27 29.700 29.652 0.048
1056 3 . 1 1 27 27 R H H 27 8.080 8.378 -0.298
1057 3 . 1 1 28 28 K N N 28 119.100 119.842 -0.742
1058 3 . 1 1 28 28 K HA H 28 4.000 3.774 0.226
1059 3 . 1 1 28 28 K C C 28 176.900 175.684 1.216
1060 3 . 1 1 28 28 K CA C 28 58.600 58.900 -0.300
1061 3 . 1 1 28 28 K CB C 28 32.100 32.016 0.084
1062 3 . 1 1 28 28 K H H 28 7.520 7.666 -0.146
1063 3 . 1 1 29 29 F N N 29 114.500 116.289 -1.789
1064 3 . 1 1 29 29 F HA H 29 4.930 4.866 0.064
1065 3 . 1 1 29 29 F C C 29 173.600 176.211 -2.611
1066 3 . 1 1 29 29 F CA C 29 55.800 57.320 -1.520
1067 3 . 1 1 29 29 F CB C 29 39.000 41.796 -2.796
1068 3 . 1 1 29 29 F H H 29 7.010 7.986 -0.976
1069 3 . 1 1 30 30 A N N 30 121.600 123.030 -1.430
1070 3 . 1 1 30 30 A HA H 30 4.130 4.473 -0.343
1071 3 . 1 1 30 30 A C C 30 176.700 177.674 -0.974
1072 3 . 1 1 30 30 A CA C 30 52.900 52.683 0.217
1073 3 . 1 1 30 30 A CB C 30 17.000 18.939 -1.939
1074 3 . 1 1 30 30 A H H 30 7.830 8.525 -0.695
1075 3 . 1 1 31 31 G N N 31 105.400 106.979 -1.579
1076 3 . 1 1 31 31 G C C 31 173.100 172.989 0.111
1077 3 . 1 1 31 31 G CA C 31 45.100 45.610 -0.510
1078 3 . 1 1 31 31 G H H 31 7.950 8.077 -0.127
1079 3 . 1 1 32 32 T N N 32 115.700 122.051 -6.351
1080 3 . 1 1 32 32 T HA H 32 4.580 4.660 -0.080
1081 3 . 1 1 32 32 T C C 32 173.100 174.168 -1.068
1082 3 . 1 1 32 32 T CA C 32 61.900 63.203 -1.303
1083 3 . 1 1 32 32 T CB C 32 70.500 70.052 0.448
1084 3 . 1 1 32 32 T H H 32 8.220 8.832 -0.612
1085 3 . 1 1 33 33 V N N 33 125.300 126.987 -1.687
1086 3 . 1 1 33 33 V HA H 33 5.150 4.878 0.272
1087 3 . 1 1 33 33 V C C 33 175.300 174.727 0.573
1088 3 . 1 1 33 33 V CA C 33 60.800 60.654 0.146
1089 3 . 1 1 33 33 V CB C 33 34.300 33.416 0.884
1090 3 . 1 1 33 33 V H H 33 8.610 8.847 -0.237
1091 3 . 1 1 34 34 T N N 34 120.200 122.045 -1.845
1092 3 . 1 1 34 34 T HA H 34 4.670 5.355 -0.685
1093 3 . 1 1 34 34 T CA C 34 60.200 59.017 1.183
1094 3 . 1 1 34 34 T CB C 34 71.600 72.398 -0.798
1095 3 . 1 1 34 34 T H H 34 8.890 9.059 -0.169
1096 3 . 1 1 35 35 Y N N 35 118.100 120.645 -2.545
1097 3 . 1 1 35 35 Y HA H 35 5.720 6.091 -0.371
1098 3 . 1 1 35 35 Y C C 35 174.400 173.135 1.265
1099 3 . 1 1 35 35 Y CA C 35 56.200 55.948 0.252
1100 3 . 1 1 35 35 Y CB C 35 41.800 42.222 -0.422
1101 3 . 1 1 35 35 Y H H 35 8.360 8.937 -0.577
1102 3 . 1 1 36 36 T N N 36 115.200 113.398 1.802
1103 3 . 1 1 36 36 T HA H 36 4.400 5.022 -0.622
1104 3 . 1 1 36 36 T CA C 36 60.200 60.466 -0.266
1105 3 . 1 1 36 36 T CB C 36 71.800 71.862 -0.062
1106 3 . 1 1 36 36 T H H 36 9.020 9.074 -0.054
1107 3 . 1 1 37 37 L N N 37 129.300 126.016 3.284
1108 3 . 1 1 37 37 L HA H 37 5.020 4.860 0.160
1109 3 . 1 1 37 37 L C C 37 174.900 175.364 -0.464
1110 3 . 1 1 37 37 L CA C 37 54.400 54.407 -0.007
1111 3 . 1 1 37 37 L CB C 37 43.800 43.087 0.713
1112 3 . 1 1 37 37 L H H 37 8.850 8.892 -0.042
1113 3 . 1 1 38 38 D N N 38 127.200 124.739 2.461
1114 3 . 1 1 38 38 D HA H 38 4.850 4.952 -0.102
1115 3 . 1 1 38 38 D CA C 38 53.000 52.546 0.454
1116 3 . 1 1 38 38 D CB C 38 42.300 41.873 0.427
1117 3 . 1 1 38 38 D H H 38 8.740 8.825 -0.085
1118 3 . 1 1 39 39 G N N 39 114.000 115.856 -1.856
1119 3 . 1 1 39 39 G C C 39 174.000 174.376 -0.376
1120 3 . 1 1 39 39 G CA C 39 47.400 47.361 0.039
1121 3 . 1 1 39 39 G H H 39 8.700 8.939 -0.239
1122 3 . 1 1 40 40 N N N 40 124.400 119.343 5.057
1123 3 . 1 1 40 40 N HA H 40 5.070 4.944 0.126
1124 3 . 1 1 40 40 N C C 40 173.100 174.181 -1.081
1125 3 . 1 1 40 40 N CA C 40 53.200 52.310 0.890
1126 3 . 1 1 40 40 N CB C 40 39.300 39.599 -0.299
1127 3 . 1 1 40 40 N H H 40 8.740 8.592 0.148
1128 3 . 1 1 41 41 D N N 41 118.500 117.556 0.944
1129 3 . 1 1 41 41 D HA H 41 5.410 5.399 0.011
1130 3 . 1 1 41 41 D C C 41 173.600 173.865 -0.265
1131 3 . 1 1 41 41 D CA C 41 53.700 52.321 1.379
1132 3 . 1 1 41 41 D CB C 41 43.800 44.473 -0.673
1133 3 . 1 1 41 41 D H H 41 7.980 7.606 0.374
1134 3 . 1 1 42 42 L N N 42 125.100 123.805 1.295
1135 3 . 1 1 42 42 L HA H 42 4.960 5.182 -0.222
1136 3 . 1 1 42 42 L C C 42 173.600 175.190 -1.590
1137 3 . 1 1 42 42 L CA C 42 53.400 53.811 -0.411
1138 3 . 1 1 42 42 L CB C 42 43.700 44.552 -0.852
1139 3 . 1 1 42 42 L H H 42 8.520 8.976 -0.456
1140 3 . 1 1 43 43 E N N 43 127.800 126.330 1.470
1141 3 . 1 1 43 43 E HA H 43 5.280 4.732 0.548
1142 3 . 1 1 43 43 E C C 43 174.900 175.367 -0.467
1143 3 . 1 1 43 43 E CA C 43 54.500 55.998 -1.498
1144 3 . 1 1 43 43 E CB C 43 32.000 30.303 1.697
1145 3 . 1 1 43 43 E H H 43 8.990 9.328 -0.338
1146 3 . 1 1 44 44 I N N 44 126.300 127.053 -0.753
1147 3 . 1 1 44 44 I HA H 44 4.760 4.802 -0.042
1148 3 . 1 1 44 44 I C C 44 173.800 174.443 -0.643
1149 3 . 1 1 44 44 I CA C 44 60.000 60.550 -0.550
1150 3 . 1 1 44 44 I CB C 44 41.200 38.463 2.737
1151 3 . 1 1 44 44 I H H 44 9.590 9.425 0.165
1152 3 . 1 1 45 45 R N N 45 127.800 128.977 -1.177
1153 3 . 1 1 45 45 R HA H 45 5.250 5.433 -0.183
1154 3 . 1 1 45 45 R C C 45 175.300 174.682 0.618
1155 3 . 1 1 45 45 R CA C 45 55.000 54.620 0.380
1156 3 . 1 1 45 45 R CB C 45 31.700 33.439 -1.739
1157 3 . 1 1 45 45 R H H 45 9.130 9.516 -0.386
1158 3 . 1 1 46 46 I N N 46 125.800 128.210 -2.410
1159 3 . 1 1 46 46 I HA H 46 5.150 5.131 0.019
1160 3 . 1 1 46 46 I C C 46 175.600 174.928 0.672
1161 3 . 1 1 46 46 I CA C 46 60.100 60.102 -0.002
1162 3 . 1 1 46 46 I CB C 46 39.900 40.226 -0.326
1163 3 . 1 1 46 46 I H H 46 9.180 9.013 0.167
1164 3 . 1 1 47 47 T N N 47 118.800 120.706 -1.906
1165 3 . 1 1 47 47 T HA H 47 5.010 4.739 0.271
1166 3 . 1 1 47 47 T C C 47 174.300 174.977 -0.677
1167 3 . 1 1 47 47 T CA C 47 60.100 61.320 -1.220
1168 3 . 1 1 47 47 T CB C 47 70.900 71.518 -0.618
1169 3 . 1 1 47 47 T H H 47 9.020 9.051 -0.031
1170 3 . 1 1 48 48 G N N 48 109.000 114.320 -5.320
1171 3 . 1 1 48 48 G C C 48 174.700 174.242 0.458
1172 3 . 1 1 48 48 G CA C 48 46.200 46.980 -0.780
1173 3 . 1 1 48 48 G H H 48 8.350 8.598 -0.248
1174 3 . 1 1 49 49 V N N 49 114.200 116.858 -2.658
1175 3 . 1 1 49 49 V HA H 49 4.260 4.405 -0.145
1176 3 . 1 1 49 49 V CA C 49 58.200 59.480 -1.280
1177 3 . 1 1 49 49 V CB C 49 32.500 32.552 -0.052
1178 3 . 1 1 49 49 V H H 49 7.760 7.182 0.578
1179 3 . 1 1 50 50 P HA H 50 4.580 4.434 0.146
1180 3 . 1 1 50 50 P C C 50 177.200 177.477 -0.277
1181 3 . 1 1 50 50 P CA C 50 61.800 63.148 -1.348
1182 3 . 1 1 50 50 P CB C 50 32.500 31.575 0.925
1183 3 . 1 1 51 51 E N N 51 123.400 123.988 -0.588
1184 3 . 1 1 51 51 E HA H 51 4.000 4.028 -0.028
1185 3 . 1 1 51 51 E C C 51 178.500 178.447 0.053
1186 3 . 1 1 51 51 E CA C 51 59.500 59.181 0.319
1187 3 . 1 1 51 51 E CB C 51 29.300 28.938 0.362
1188 3 . 1 1 51 51 E H H 51 8.890 8.612 0.278
1189 3 . 1 1 52 52 Q N N 52 115.200 118.935 -3.735
1190 3 . 1 1 52 52 Q HA H 52 4.100 4.071 0.029
1191 3 . 1 1 52 52 Q C C 52 177.300 178.246 -0.946
1192 3 . 1 1 52 52 Q CA C 52 58.600 58.743 -0.143
1193 3 . 1 1 52 52 Q CB C 52 27.700 28.251 -0.551
1194 3 . 1 1 52 52 Q H H 52 8.910 8.126 0.784
1195 3 . 1 1 53 53 V N N 53 114.900 121.084 -6.184
1196 3 . 1 1 53 53 V HA H 53 4.120 3.572 0.548
1197 3 . 1 1 53 53 V C C 53 176.100 177.581 -1.481
1198 3 . 1 1 53 53 V CA C 53 62.100 66.613 -4.513
1199 3 . 1 1 53 53 V CB C 53 31.900 31.195 0.705
1200 3 . 1 1 53 53 V H H 53 7.080 7.839 -0.759
1201 3 . 1 1 54 54 R N N 54 121.500 120.625 0.875
1202 3 . 1 1 54 54 R HA H 54 3.620 3.900 -0.280
1203 3 . 1 1 54 54 R C C 54 177.100 178.138 -1.038
1204 3 . 1 1 54 54 R CA C 54 60.400 59.205 1.195
1205 3 . 1 1 54 54 R CB C 54 29.700 29.960 -0.260
1206 3 . 1 1 54 54 R H H 54 7.510 7.968 -0.458
1207 3 . 1 1 55 55 K N N 55 116.800 117.649 -0.849
1208 3 . 1 1 55 55 K HA H 55 3.890 4.046 -0.156
1209 3 . 1 1 55 55 K C C 55 176.000 178.809 -2.809
1210 3 . 1 1 55 55 K CA C 55 59.600 59.354 0.246
1211 3 . 1 1 55 55 K CB C 55 31.800 32.209 -0.409
1212 3 . 1 1 55 55 K H H 55 8.170 7.840 0.330
1213 3 . 1 1 56 56 E N N 56 120.200 119.558 0.642
1214 3 . 1 1 56 56 E HA H 56 4.050 4.080 -0.030
1215 3 . 1 1 56 56 E CA C 56 59.100 59.232 -0.132
1216 3 . 1 1 56 56 E CB C 56 29.200 29.155 0.045
1217 3 . 1 1 56 56 E H H 56 7.600 7.742 -0.142
1218 3 . 1 1 57 57 L N N 57 120.200 121.095 -0.895
1219 3 . 1 1 57 57 L HA H 57 3.970 4.018 -0.048
1220 3 . 1 1 57 57 L C C 57 178.300 178.616 -0.316
1221 3 . 1 1 57 57 L CA C 57 57.700 57.702 -0.002
1222 3 . 1 1 57 57 L CB C 57 42.000 41.824 0.176
1223 3 . 1 1 57 57 L H H 57 7.980 7.854 0.126
1224 3 . 1 1 58 58 A N N 58 120.600 121.317 -0.717
1225 3 . 1 1 58 58 A HA H 58 3.400 3.809 -0.409
1226 3 . 1 1 58 58 A C C 58 178.600 178.992 -0.392
1227 3 . 1 1 58 58 A CA C 58 55.200 55.070 0.130
1228 3 . 1 1 58 58 A CB C 58 17.600 17.786 -0.186
1229 3 . 1 1 58 58 A H H 58 7.820 8.612 -0.792
1230 3 . 1 1 59 59 K N N 59 116.600 118.553 -1.953
1231 3 . 1 1 59 59 K HA H 59 3.990 3.891 0.099
1232 3 . 1 1 59 59 K C C 59 179.900 178.403 1.497
1233 3 . 1 1 59 59 K CA C 59 59.400 59.831 -0.431
1234 3 . 1 1 59 59 K CB C 59 32.000 32.583 -0.583
1235 3 . 1 1 59 59 K H H 59 7.630 7.855 -0.225
1236 3 . 1 1 60 60 E N N 60 120.700 118.913 1.787
1237 3 . 1 1 60 60 E HA H 60 4.390 4.039 0.351
1238 3 . 1 1 60 60 E C C 60 178.100 178.311 -0.211
1239 3 . 1 1 60 60 E CA C 60 58.100 59.595 -1.495
1240 3 . 1 1 60 60 E CB C 60 28.800 29.167 -0.367
1241 3 . 1 1 60 60 E H H 60 7.950 8.639 -0.689
1242 3 . 1 1 61 61 A N N 61 122.400 122.209 0.191
1243 3 . 1 1 61 61 A HA H 61 4.160 4.399 -0.239
1244 3 . 1 1 61 61 A C C 61 179.100 180.367 -1.267
1245 3 . 1 1 61 61 A CA C 61 56.000 55.226 0.774
1246 3 . 1 1 61 61 A CB C 61 17.300 18.251 -0.951
1247 3 . 1 1 61 61 A H H 61 8.300 8.027 0.273
1248 3 . 1 1 62 62 E N N 62 115.600 117.732 -2.132
1249 3 . 1 1 62 62 E HA H 62 4.040 4.082 -0.042
1250 3 . 1 1 62 62 E C C 62 179.200 179.397 -0.197
1251 3 . 1 1 62 62 E CA C 62 59.200 59.411 -0.211
1252 3 . 1 1 62 62 E CB C 62 29.300 29.137 0.163
1253 3 . 1 1 62 62 E H H 62 8.100 7.897 0.203
1254 3 . 1 1 63 63 R N N 63 122.800 120.845 1.955
1255 3 . 1 1 63 63 R HA H 63 4.040 4.231 -0.191
1256 3 . 1 1 63 63 R C C 63 179.100 179.036 0.064
1257 3 . 1 1 63 63 R CA C 63 59.600 58.383 1.217
1258 3 . 1 1 63 63 R CB C 63 29.800 29.872 -0.072
1259 3 . 1 1 63 63 R H H 63 8.250 7.935 0.315
1260 3 . 1 1 64 64 L N N 64 120.800 120.095 0.705
1261 3 . 1 1 64 64 L HA H 64 3.870 4.032 -0.162
1262 3 . 1 1 64 64 L C C 64 178.200 179.034 -0.834
1263 3 . 1 1 64 64 L CA C 64 57.500 57.959 -0.459
1264 3 . 1 1 64 64 L CB C 64 42.300 41.675 0.625
1265 3 . 1 1 64 64 L H H 64 8.460 8.794 -0.334
1266 3 . 1 1 65 65 A N N 65 120.200 121.952 -1.752
1267 3 . 1 1 65 65 A HA H 65 4.050 4.443 -0.393
1268 3 . 1 1 65 65 A C C 65 179.500 179.943 -0.443
1269 3 . 1 1 65 65 A CA C 65 55.200 55.848 -0.648
1270 3 . 1 1 65 65 A CB C 65 17.900 19.388 -1.488
1271 3 . 1 1 65 65 A H H 65 8.190 8.558 -0.368
1272 3 . 1 1 66 66 K N N 66 116.500 117.386 -0.886
1273 3 . 1 1 66 66 K HA H 66 4.190 4.099 0.091
1274 3 . 1 1 66 66 K C C 66 178.800 179.147 -0.347
1275 3 . 1 1 66 66 K CA C 66 58.900 59.592 -0.692
1276 3 . 1 1 66 66 K CB C 66 32.300 32.187 0.113
1277 3 . 1 1 66 66 K H H 66 7.700 8.332 -0.632
1278 3 . 1 1 67 67 E N N 67 120.200 119.356 0.844
1279 3 . 1 1 67 67 E HA H 67 3.840 3.908 -0.068
1280 3 . 1 1 67 67 E C C 67 178.000 177.674 0.326
1281 3 . 1 1 67 67 E CA C 67 59.100 59.065 0.035
1282 3 . 1 1 67 67 E CB C 67 29.300 29.441 -0.141
1283 3 . 1 1 67 67 E H H 67 8.270 8.069 0.201
1284 3 . 1 1 68 68 F N N 68 113.400 113.966 -0.566
1285 3 . 1 1 68 68 F HA H 68 4.760 4.591 0.169
1286 3 . 1 1 68 68 F C C 68 174.400 174.488 -0.088
1287 3 . 1 1 68 68 F CA C 68 56.300 57.576 -1.276
1288 3 . 1 1 68 68 F CB C 68 39.400 39.155 0.245
1289 3 . 1 1 68 68 F H H 68 7.800 7.413 0.387
1290 3 . 1 1 69 69 N N N 69 118.200 113.663 4.537
1291 3 . 1 1 69 69 N HA H 69 4.510 4.401 0.109
1292 3 . 1 1 69 69 N CA C 69 54.200 54.495 -0.295
1293 3 . 1 1 69 69 N CB C 69 37.000 37.058 -0.058
1294 3 . 1 1 69 69 N H H 69 7.950 7.925 0.025
1295 3 . 1 1 70 70 I N N 70 113.900 115.203 -1.303
1296 3 . 1 1 70 70 I HA H 70 4.950 4.551 0.399
1297 3 . 1 1 70 70 I CA C 70 59.800 59.264 0.536
1298 3 . 1 1 70 70 I CB C 70 40.000 39.846 0.154
1299 3 . 1 1 70 70 I H H 70 8.480 8.034 0.446
1300 3 . 1 1 71 71 T N N 71 113.600 118.111 -4.511
1301 3 . 1 1 71 71 T HA H 71 4.820 4.834 -0.014
1302 3 . 1 1 71 71 T C C 71 173.500 173.719 -0.219
1303 3 . 1 1 71 71 T CA C 71 61.500 62.146 -0.646
1304 3 . 1 1 71 71 T CB C 71 71.200 70.519 0.681
1305 3 . 1 1 71 71 T H H 71 8.520 8.777 -0.257
1306 3 . 1 1 72 72 V N N 72 122.600 125.363 -2.763
1307 3 . 1 1 72 72 V HA H 72 5.330 4.969 0.361
1308 3 . 1 1 72 72 V C C 72 173.200 173.997 -0.797
1309 3 . 1 1 72 72 V CA C 72 59.200 60.266 -1.066
1310 3 . 1 1 72 72 V CB C 72 35.800 34.567 1.233
1311 3 . 1 1 72 72 V H H 72 8.720 8.714 0.006
1312 3 . 1 1 73 73 T N N 73 119.300 121.208 -1.908
1313 3 . 1 1 73 73 T HA H 73 4.410 5.460 -1.050
1314 3 . 1 1 73 73 T CA C 73 60.100 60.666 -0.566
1315 3 . 1 1 73 73 T CB C 73 71.800 70.732 1.068
1316 3 . 1 1 73 73 T H H 73 8.430 8.919 -0.489
1317 3 . 1 1 74 74 Y N N 74 118.100 119.612 -1.512
1318 3 . 1 1 74 74 Y HA H 74 5.530 6.068 -0.538
1319 3 . 1 1 74 74 Y CA C 74 55.900 55.143 0.757
1320 3 . 1 1 74 74 Y CB C 74 41.600 42.043 -0.443
1321 3 . 1 1 74 74 Y H H 74 8.120 8.769 -0.649
1322 3 . 1 1 75 75 T N N 75 115.000 117.161 -2.161
1323 3 . 1 1 75 75 T HA H 75 4.590 4.910 -0.320
1324 3 . 1 1 75 75 T CA C 75 60.700 61.730 -1.030
1325 3 . 1 1 75 75 T CB C 75 71.700 69.593 2.107
1326 3 . 1 1 75 75 T H H 75 8.810 9.169 -0.359
1327 3 . 1 1 76 76 I N N 76 124.400 127.619 -3.219
1328 3 . 1 1 76 76 I HA H 76 4.800 4.891 -0.091
1329 3 . 1 1 76 76 I C C 76 175.300 175.236 0.064
1330 3 . 1 1 76 76 I CA C 76 59.900 60.681 -0.781
1331 3 . 1 1 76 76 I CB C 76 39.500 40.328 -0.828
1332 3 . 1 1 76 76 I H H 76 8.650 9.220 -0.570
1333 3 . 1 1 77 77 R N N 77 125.900 127.143 -1.243
1334 3 . 1 1 77 77 R HA H 77 4.570 4.900 -0.330
1335 3 . 1 1 77 77 R CA C 77 55.100 54.655 0.445
1336 3 . 1 1 77 77 R CB C 77 32.500 31.981 0.519
1337 3 . 1 1 77 77 R H H 77 8.680 8.958 -0.278
1338 3 . 1 1 78 78 L N N 78 124.400 125.259 -0.859
1339 3 . 1 1 78 78 L HA H 78 4.320 4.603 -0.283
1340 3 . 1 1 78 78 L C C 78 177.000 176.298 0.702
1341 3 . 1 1 78 78 L CA C 78 55.200 54.242 0.958
1342 3 . 1 1 78 78 L CB C 78 42.200 42.313 -0.113
1343 3 . 1 1 78 78 L H H 78 8.500 8.890 -0.390
1344 3 . 1 1 79 79 E N N 79 121.300 121.980 -0.680
1345 3 . 1 1 79 79 E HA H 79 4.150 4.298 -0.148
1346 3 . 1 1 79 79 E C C 79 173.700 176.417 -2.717
1347 3 . 1 1 79 79 E CA C 79 55.400 57.081 -1.681
1348 3 . 1 1 79 79 E CB C 79 30.100 30.673 -0.573
1349 3 . 1 1 79 79 E H H 79 8.310 8.577 -0.267
1350 3 . 1 1 80 80 H N N 80 125.300 122.459 2.841
1351 3 . 1 1 80 80 H HA H 80 4.580 4.742 -0.162
1352 3 . 1 1 80 80 H CA C 80 57.100 55.915 1.185
1353 3 . 1 1 80 80 H CB C 80 30.300 31.565 -1.265
1354 3 . 1 1 80 80 H H H 80 8.090 8.321 -0.231
1355 4 . 1 1 2 2 E N N 2 121.100 123.399 -2.299
1356 4 . 1 1 2 2 E HA H 2 5.260 5.179 0.081
1357 4 . 1 1 2 2 E C C 2 174.300 174.561 -0.261
1358 4 . 1 1 2 2 E CA C 2 54.300 54.940 -0.640
1359 4 . 1 1 2 2 E CB C 2 32.400 32.549 -0.149
1360 4 . 1 1 2 2 E H H 2 8.720 8.916 -0.196
1361 4 . 1 1 3 3 M N N 3 122.600 127.660 -5.060
1362 4 . 1 1 3 3 M HA H 3 5.120 5.122 -0.002
1363 4 . 1 1 3 3 M C C 3 172.600 173.811 -1.211
1364 4 . 1 1 3 3 M CA C 3 54.600 54.207 0.393
1365 4 . 1 1 3 3 M CB C 3 37.000 35.622 1.378
1366 4 . 1 1 3 3 M H H 3 8.990 8.897 0.093
1367 4 . 1 1 4 4 D N N 4 126.300 127.981 -1.681
1368 4 . 1 1 4 4 D HA H 4 5.650 5.076 0.574
1369 4 . 1 1 4 4 D C C 4 175.000 175.108 -0.108
1370 4 . 1 1 4 4 D CA C 4 52.600 53.561 -0.961
1371 4 . 1 1 4 4 D CB C 4 41.800 42.599 -0.799
1372 4 . 1 1 4 4 D H H 4 8.810 9.126 -0.316
1373 4 . 1 1 5 5 I N N 5 124.600 126.775 -2.175
1374 4 . 1 1 5 5 I HA H 5 4.470 4.649 -0.179
1375 4 . 1 1 5 5 I C C 5 173.600 174.887 -1.287
1376 4 . 1 1 5 5 I CA C 5 60.500 60.591 -0.091
1377 4 . 1 1 5 5 I CB C 5 41.100 40.179 0.921
1378 4 . 1 1 5 5 I H H 5 9.520 8.937 0.583
1379 4 . 1 1 6 6 R N N 6 127.500 127.524 -0.024
1380 4 . 1 1 6 6 R HA H 6 5.410 4.953 0.457
1381 4 . 1 1 6 6 R C C 6 175.300 175.105 0.195
1382 4 . 1 1 6 6 R CA C 6 54.400 54.980 -0.580
1383 4 . 1 1 6 6 R CB C 6 32.500 31.374 1.126
1384 4 . 1 1 6 6 R H H 6 8.970 9.224 -0.254
1385 4 . 1 1 7 7 F N N 7 125.400 124.040 1.360
1386 4 . 1 1 7 7 F HA H 7 5.720 5.069 0.651
1387 4 . 1 1 7 7 F C C 7 174.800 175.055 -0.255
1388 4 . 1 1 7 7 F CA C 7 56.000 57.606 -1.606
1389 4 . 1 1 7 7 F CB C 7 42.300 40.901 1.399
1390 4 . 1 1 7 7 F H H 7 9.530 9.155 0.375
1391 4 . 1 1 8 8 R N N 8 121.100 121.597 -0.497
1392 4 . 1 1 8 8 R HA H 8 5.700 5.193 0.507
1393 4 . 1 1 8 8 R C C 8 175.400 175.360 0.040
1394 4 . 1 1 8 8 R CA C 8 54.500 54.963 -0.463
1395 4 . 1 1 8 8 R CB C 8 33.800 33.620 0.180
1396 4 . 1 1 8 8 R H H 8 8.770 9.248 -0.478
1397 4 . 1 1 9 9 G N N 9 111.500 112.610 -1.110
1398 4 . 1 1 9 9 G C C 9 171.200 173.991 -2.791
1399 4 . 1 1 9 9 G CA C 9 45.200 45.737 -0.537
1400 4 . 1 1 9 9 G H H 9 8.630 8.520 0.110
1401 4 . 1 1 10 10 D N N 10 117.300 121.001 -3.701
1402 4 . 1 1 10 10 D HA H 10 4.710 4.472 0.238
1403 4 . 1 1 10 10 D C C 10 175.300 176.153 -0.853
1404 4 . 1 1 10 10 D CA C 10 53.400 54.792 -1.392
1405 4 . 1 1 10 10 D CB C 10 41.400 40.632 0.768
1406 4 . 1 1 10 10 D H H 10 8.230 9.051 -0.821
1407 4 . 1 1 11 11 D N N 11 119.000 121.478 -2.478
1408 4 . 1 1 11 11 D HA H 11 4.690 4.767 -0.077
1409 4 . 1 1 11 11 D C C 11 175.500 176.290 -0.790
1410 4 . 1 1 11 11 D CA C 11 52.600 53.979 -1.379
1411 4 . 1 1 11 11 D CB C 11 41.500 40.264 1.236
1412 4 . 1 1 11 11 D H H 11 7.400 7.494 -0.094
1413 4 . 1 1 12 12 L N N 12 125.800 126.916 -1.116
1414 4 . 1 1 12 12 L HA H 12 3.850 4.106 -0.256
1415 4 . 1 1 12 12 L C C 12 179.100 178.088 1.012
1416 4 . 1 1 12 12 L CA C 12 57.800 57.705 0.095
1417 4 . 1 1 12 12 L CB C 12 41.700 41.806 -0.106
1418 4 . 1 1 12 12 L H H 12 8.520 8.592 -0.072
1419 4 . 1 1 13 13 E N N 13 119.800 117.116 2.684
1420 4 . 1 1 13 13 E HA H 13 3.980 4.038 -0.058
1421 4 . 1 1 13 13 E C C 13 178.600 178.648 -0.048
1422 4 . 1 1 13 13 E CA C 13 59.300 59.204 0.096
1423 4 . 1 1 13 13 E CB C 13 29.100 29.008 0.092
1424 4 . 1 1 13 13 E H H 13 8.140 8.808 -0.668
1425 4 . 1 1 14 14 A N N 14 122.200 122.052 0.148
1426 4 . 1 1 14 14 A HA H 14 3.380 3.513 -0.133
1427 4 . 1 1 14 14 A C C 14 179.300 179.185 0.115
1428 4 . 1 1 14 14 A CA C 14 54.400 54.583 -0.183
1429 4 . 1 1 14 14 A CB C 14 18.700 18.247 0.453
1430 4 . 1 1 14 14 A H H 14 7.460 7.960 -0.500
1431 4 . 1 1 15 15 F N N 15 115.400 120.219 -4.819
1432 4 . 1 1 15 15 F HA H 15 3.850 3.942 -0.092
1433 4 . 1 1 15 15 F C C 15 177.000 177.021 -0.021
1434 4 . 1 1 15 15 F CA C 15 57.700 61.147 -3.447
1435 4 . 1 1 15 15 F CB C 15 37.500 39.045 -1.545
1436 4 . 1 1 15 15 F H H 15 7.380 8.342 -0.962
1437 4 . 1 1 16 16 E N N 16 118.800 118.786 0.014
1438 4 . 1 1 16 16 E HA H 16 3.660 3.697 -0.037
1439 4 . 1 1 16 16 E C C 16 178.700 178.376 0.324
1440 4 . 1 1 16 16 E CA C 16 59.800 59.694 0.106
1441 4 . 1 1 16 16 E CB C 16 29.100 28.904 0.196
1442 4 . 1 1 16 16 E H H 16 7.990 8.056 -0.066
1443 4 . 1 1 17 17 K N N 17 118.200 118.524 -0.324
1444 4 . 1 1 17 17 K HA H 17 3.780 3.861 -0.081
1445 4 . 1 1 17 17 K C C 17 179.000 178.407 0.593
1446 4 . 1 1 17 17 K CA C 17 59.600 59.232 0.368
1447 4 . 1 1 17 17 K CB C 17 32.400 32.087 0.313
1448 4 . 1 1 17 17 K H H 17 7.550 7.730 -0.180
1449 4 . 1 1 18 18 A N N 18 122.400 121.750 0.650
1450 4 . 1 1 18 18 A HA H 18 3.890 3.710 0.180
1451 4 . 1 1 18 18 A C C 18 178.900 179.513 -0.613
1452 4 . 1 1 18 18 A CA C 18 54.800 54.748 0.052
1453 4 . 1 1 18 18 A CB C 18 17.100 17.928 -0.828
1454 4 . 1 1 18 18 A H H 18 8.060 7.963 0.097
1455 4 . 1 1 19 19 L N N 19 118.700 118.635 0.065
1456 4 . 1 1 19 19 L HA H 19 3.690 3.880 -0.190
1457 4 . 1 1 19 19 L C C 19 177.700 177.989 -0.289
1458 4 . 1 1 19 19 L CA C 19 57.900 57.126 0.774
1459 4 . 1 1 19 19 L CB C 19 41.700 41.441 0.259
1460 4 . 1 1 19 19 L H H 19 8.280 7.264 1.016
1461 4 . 1 1 20 20 K N N 20 116.600 119.009 -2.409
1462 4 . 1 1 20 20 K HA H 20 3.780 3.821 -0.041
1463 4 . 1 1 20 20 K C C 20 179.700 178.882 0.818
1464 4 . 1 1 20 20 K CA C 20 60.000 59.771 0.229
1465 4 . 1 1 20 20 K CB C 20 32.400 32.186 0.214
1466 4 . 1 1 20 20 K H H 20 7.760 8.011 -0.251
1467 4 . 1 1 21 21 E N N 21 118.700 118.748 -0.048
1468 4 . 1 1 21 21 E HA H 21 4.300 4.023 0.277
1469 4 . 1 1 21 21 E C C 21 178.500 179.660 -1.160
1470 4 . 1 1 21 21 E CA C 21 58.400 59.407 -1.007
1471 4 . 1 1 21 21 E CB C 21 29.100 29.387 -0.287
1472 4 . 1 1 21 21 E H H 21 7.750 8.182 -0.432
1473 4 . 1 1 22 22 M N N 22 119.100 119.031 0.069
1474 4 . 1 1 22 22 M HA H 22 4.390 4.211 0.179
1475 4 . 1 1 22 22 M C C 22 178.800 178.994 -0.194
1476 4 . 1 1 22 22 M CA C 22 57.300 58.932 -1.632
1477 4 . 1 1 22 22 M CB C 22 31.200 33.088 -1.888
1478 4 . 1 1 22 22 M H H 22 8.300 7.902 0.398
1479 4 . 1 1 23 23 I N N 23 120.200 119.470 0.730
1480 4 . 1 1 23 23 I HA H 23 3.550 3.600 -0.050
1481 4 . 1 1 23 23 I C C 23 177.600 177.882 -0.282
1482 4 . 1 1 23 23 I CA C 23 66.100 64.979 1.121
1483 4 . 1 1 23 23 I CB C 23 37.700 36.904 0.796
1484 4 . 1 1 23 23 I H H 23 8.460 7.986 0.474
1485 4 . 1 1 24 24 R N N 24 120.200 121.028 -0.828
1486 4 . 1 1 24 24 R HA H 24 3.890 3.795 0.095
1487 4 . 1 1 24 24 R C C 24 179.400 178.587 0.813
1488 4 . 1 1 24 24 R CA C 24 59.900 59.804 0.096
1489 4 . 1 1 24 24 R CB C 24 30.200 29.786 0.414
1490 4 . 1 1 24 24 R H H 24 7.720 8.300 -0.580
1491 4 . 1 1 25 25 Q N N 25 117.100 118.340 -1.240
1492 4 . 1 1 25 25 Q HA H 25 3.930 3.855 0.075
1493 4 . 1 1 25 25 Q C C 25 177.600 178.305 -0.705
1494 4 . 1 1 25 25 Q CA C 25 58.000 58.484 -0.484
1495 4 . 1 1 25 25 Q CB C 25 27.800 28.671 -0.871
1496 4 . 1 1 25 25 Q H H 25 8.190 7.804 0.386
1497 4 . 1 1 26 26 A N N 26 120.300 122.667 -2.367
1498 4 . 1 1 26 26 A HA H 26 3.690 4.261 -0.571
1499 4 . 1 1 26 26 A C C 26 179.400 180.021 -0.621
1500 4 . 1 1 26 26 A CA C 26 54.200 55.215 -1.015
1501 4 . 1 1 26 26 A CB C 26 18.300 18.348 -0.048
1502 4 . 1 1 26 26 A H H 26 8.240 8.451 -0.211
1503 4 . 1 1 27 27 R N N 27 117.500 117.679 -0.179
1504 4 . 1 1 27 27 R HA H 27 4.070 4.083 -0.013
1505 4 . 1 1 27 27 R C C 27 178.900 178.796 0.104
1506 4 . 1 1 27 27 R CA C 27 58.500 59.689 -1.189
1507 4 . 1 1 27 27 R CB C 27 29.700 30.003 -0.303
1508 4 . 1 1 27 27 R H H 27 8.080 8.135 -0.055
1509 4 . 1 1 28 28 K N N 28 119.100 118.668 0.432
1510 4 . 1 1 28 28 K HA H 28 4.000 3.972 0.028
1511 4 . 1 1 28 28 K C C 28 176.900 177.637 -0.737
1512 4 . 1 1 28 28 K CA C 28 58.600 58.411 0.189
1513 4 . 1 1 28 28 K CB C 28 32.100 31.963 0.137
1514 4 . 1 1 28 28 K H H 28 7.520 7.490 0.030
1515 4 . 1 1 29 29 F N N 29 114.500 116.157 -1.657
1516 4 . 1 1 29 29 F HA H 29 4.930 4.582 0.348
1517 4 . 1 1 29 29 F C C 29 173.600 174.773 -1.173
1518 4 . 1 1 29 29 F CA C 29 55.800 57.486 -1.686
1519 4 . 1 1 29 29 F CB C 29 39.000 39.331 -0.331
1520 4 . 1 1 29 29 F H H 29 7.010 7.243 -0.233
1521 4 . 1 1 30 30 A N N 30 121.600 120.639 0.961
1522 4 . 1 1 30 30 A HA H 30 4.130 3.951 0.179
1523 4 . 1 1 30 30 A C C 30 176.700 176.983 -0.283
1524 4 . 1 1 30 30 A CA C 30 52.900 53.422 -0.522
1525 4 . 1 1 30 30 A CB C 30 17.000 17.483 -0.483
1526 4 . 1 1 30 30 A H H 30 7.830 7.875 -0.045
1527 4 . 1 1 31 31 G N N 31 105.400 105.387 0.013
1528 4 . 1 1 31 31 G C C 31 173.100 172.990 0.110
1529 4 . 1 1 31 31 G CA C 31 45.100 45.225 -0.125
1530 4 . 1 1 31 31 G H H 31 7.950 7.973 -0.023
1531 4 . 1 1 32 32 T N N 32 115.700 115.329 0.371
1532 4 . 1 1 32 32 T HA H 32 4.580 4.755 -0.175
1533 4 . 1 1 32 32 T C C 32 173.100 174.252 -1.152
1534 4 . 1 1 32 32 T CA C 32 61.900 63.018 -1.118
1535 4 . 1 1 32 32 T CB C 32 70.500 69.706 0.794
1536 4 . 1 1 32 32 T H H 32 8.220 8.366 -0.146
1537 4 . 1 1 33 33 V N N 33 125.300 127.840 -2.540
1538 4 . 1 1 33 33 V HA H 33 5.150 5.141 0.009
1539 4 . 1 1 33 33 V C C 33 175.300 174.529 0.771
1540 4 . 1 1 33 33 V CA C 33 60.800 60.855 -0.055
1541 4 . 1 1 33 33 V CB C 33 34.300 34.093 0.207
1542 4 . 1 1 33 33 V H H 33 8.610 8.890 -0.280
1543 4 . 1 1 34 34 T N N 34 120.200 122.843 -2.643
1544 4 . 1 1 34 34 T HA H 34 4.670 5.213 -0.543
1545 4 . 1 1 34 34 T CA C 34 60.200 59.831 0.369
1546 4 . 1 1 34 34 T CB C 34 71.600 71.578 0.022
1547 4 . 1 1 34 34 T H H 34 8.890 9.039 -0.149
1548 4 . 1 1 35 35 Y N N 35 118.100 120.488 -2.388
1549 4 . 1 1 35 35 Y HA H 35 5.720 6.234 -0.514
1550 4 . 1 1 35 35 Y C C 35 174.400 173.180 1.220
1551 4 . 1 1 35 35 Y CA C 35 56.200 55.836 0.364
1552 4 . 1 1 35 35 Y CB C 35 41.800 42.102 -0.302
1553 4 . 1 1 35 35 Y H H 35 8.360 8.681 -0.321
1554 4 . 1 1 36 36 T N N 36 115.200 113.534 1.666
1555 4 . 1 1 36 36 T HA H 36 4.400 5.150 -0.750
1556 4 . 1 1 36 36 T CA C 36 60.200 60.472 -0.272
1557 4 . 1 1 36 36 T CB C 36 71.800 71.903 -0.103
1558 4 . 1 1 36 36 T H H 36 9.020 9.034 -0.014
1559 4 . 1 1 37 37 L N N 37 129.300 125.949 3.351
1560 4 . 1 1 37 37 L HA H 37 5.020 5.211 -0.191
1561 4 . 1 1 37 37 L C C 37 174.900 174.543 0.357
1562 4 . 1 1 37 37 L CA C 37 54.400 54.004 0.396
1563 4 . 1 1 37 37 L CB C 37 43.800 41.928 1.872
1564 4 . 1 1 37 37 L H H 37 8.850 9.148 -0.298
1565 4 . 1 1 38 38 D N N 38 127.200 125.678 1.522
1566 4 . 1 1 38 38 D HA H 38 4.850 4.993 -0.143
1567 4 . 1 1 38 38 D CA C 38 53.000 52.786 0.214
1568 4 . 1 1 38 38 D CB C 38 42.300 41.896 0.404
1569 4 . 1 1 38 38 D H H 38 8.740 8.822 -0.082
1570 4 . 1 1 39 39 G N N 39 114.000 115.936 -1.936
1571 4 . 1 1 39 39 G C C 39 174.000 174.406 -0.406
1572 4 . 1 1 39 39 G CA C 39 47.400 47.334 0.066
1573 4 . 1 1 39 39 G H H 39 8.700 8.911 -0.211
1574 4 . 1 1 40 40 N N N 40 124.400 119.777 4.623
1575 4 . 1 1 40 40 N HA H 40 5.070 4.986 0.084
1576 4 . 1 1 40 40 N C C 40 173.100 174.801 -1.701
1577 4 . 1 1 40 40 N CA C 40 53.200 52.307 0.893
1578 4 . 1 1 40 40 N CB C 40 39.300 39.715 -0.415
1579 4 . 1 1 40 40 N H H 40 8.740 8.513 0.227
1580 4 . 1 1 41 41 D N N 41 118.500 120.013 -1.513
1581 4 . 1 1 41 41 D HA H 41 5.410 5.045 0.365
1582 4 . 1 1 41 41 D C C 41 173.600 174.583 -0.983
1583 4 . 1 1 41 41 D CA C 41 53.700 53.006 0.694
1584 4 . 1 1 41 41 D CB C 41 43.800 43.266 0.534
1585 4 . 1 1 41 41 D H H 41 7.980 7.967 0.013
1586 4 . 1 1 42 42 L N N 42 125.100 126.571 -1.471
1587 4 . 1 1 42 42 L HA H 42 4.960 5.043 -0.083
1588 4 . 1 1 42 42 L C C 42 173.600 175.522 -1.922
1589 4 . 1 1 42 42 L CA C 42 53.400 54.027 -0.627
1590 4 . 1 1 42 42 L CB C 42 43.700 44.148 -0.448
1591 4 . 1 1 42 42 L H H 42 8.520 9.205 -0.685
1592 4 . 1 1 43 43 E N N 43 127.800 127.543 0.257
1593 4 . 1 1 43 43 E HA H 43 5.280 4.789 0.491
1594 4 . 1 1 43 43 E C C 43 174.900 175.544 -0.644
1595 4 . 1 1 43 43 E CA C 43 54.500 55.785 -1.285
1596 4 . 1 1 43 43 E CB C 43 32.000 30.796 1.204
1597 4 . 1 1 43 43 E H H 43 8.990 9.302 -0.312
1598 4 . 1 1 44 44 I N N 44 126.300 128.560 -2.260
1599 4 . 1 1 44 44 I HA H 44 4.760 4.997 -0.237
1600 4 . 1 1 44 44 I C C 44 173.800 175.135 -1.335
1601 4 . 1 1 44 44 I CA C 44 60.000 60.584 -0.584
1602 4 . 1 1 44 44 I CB C 44 41.200 39.991 1.209
1603 4 . 1 1 44 44 I H H 44 9.590 9.507 0.083
1604 4 . 1 1 45 45 R N N 45 127.800 127.255 0.545
1605 4 . 1 1 45 45 R HA H 45 5.250 5.024 0.226
1606 4 . 1 1 45 45 R C C 45 175.300 175.045 0.255
1607 4 . 1 1 45 45 R CA C 45 55.000 54.500 0.500
1608 4 . 1 1 45 45 R CB C 45 31.700 31.924 -0.224
1609 4 . 1 1 45 45 R H H 45 9.130 9.293 -0.163
1610 4 . 1 1 46 46 I N N 46 125.800 125.019 0.781
1611 4 . 1 1 46 46 I HA H 46 5.150 4.957 0.193
1612 4 . 1 1 46 46 I C C 46 175.600 174.665 0.935
1613 4 . 1 1 46 46 I CA C 46 60.100 59.959 0.141
1614 4 . 1 1 46 46 I CB C 46 39.900 39.342 0.558
1615 4 . 1 1 46 46 I H H 46 9.180 9.095 0.085
1616 4 . 1 1 47 47 T N N 47 118.800 121.968 -3.168
1617 4 . 1 1 47 47 T HA H 47 5.010 4.751 0.259
1618 4 . 1 1 47 47 T C C 47 174.300 175.501 -1.201
1619 4 . 1 1 47 47 T CA C 47 60.100 61.126 -1.026
1620 4 . 1 1 47 47 T CB C 47 70.900 70.464 0.436
1621 4 . 1 1 47 47 T H H 47 9.020 9.186 -0.166
1622 4 . 1 1 48 48 G N N 48 109.000 114.470 -5.470
1623 4 . 1 1 48 48 G C C 48 174.700 173.964 0.736
1624 4 . 1 1 48 48 G CA C 48 46.200 46.740 -0.540
1625 4 . 1 1 48 48 G H H 48 8.350 8.474 -0.124
1626 4 . 1 1 49 49 V N N 49 114.200 113.560 0.640
1627 4 . 1 1 49 49 V HA H 49 4.260 4.681 -0.421
1628 4 . 1 1 49 49 V CA C 49 58.200 57.966 0.234
1629 4 . 1 1 49 49 V CB C 49 32.500 33.963 -1.463
1630 4 . 1 1 49 49 V H H 49 7.760 7.523 0.237
1631 4 . 1 1 50 50 P HA H 50 4.580 4.560 0.020
1632 4 . 1 1 50 50 P C C 50 177.200 177.715 -0.515
1633 4 . 1 1 50 50 P CA C 50 61.800 62.652 -0.852
1634 4 . 1 1 50 50 P CB C 50 32.500 32.127 0.373
1635 4 . 1 1 51 51 E N N 51 123.400 123.016 0.384
1636 4 . 1 1 51 51 E HA H 51 4.000 4.485 -0.485
1637 4 . 1 1 51 51 E C C 51 178.500 179.095 -0.595
1638 4 . 1 1 51 51 E CA C 51 59.500 59.762 -0.262
1639 4 . 1 1 51 51 E CB C 51 29.300 29.222 0.078
1640 4 . 1 1 51 51 E H H 51 8.890 8.652 0.238
1641 4 . 1 1 52 52 Q N N 52 115.200 118.246 -3.046
1642 4 . 1 1 52 52 Q HA H 52 4.100 4.062 0.038
1643 4 . 1 1 52 52 Q C C 52 177.300 176.999 0.301
1644 4 . 1 1 52 52 Q CA C 52 58.600 58.312 0.288
1645 4 . 1 1 52 52 Q CB C 52 27.700 27.677 0.023
1646 4 . 1 1 52 52 Q H H 52 8.910 8.470 0.440
1647 4 . 1 1 53 53 V N N 53 114.900 120.156 -5.256
1648 4 . 1 1 53 53 V HA H 53 4.120 3.967 0.153
1649 4 . 1 1 53 53 V C C 53 176.100 177.488 -1.388
1650 4 . 1 1 53 53 V CA C 53 62.100 65.161 -3.061
1651 4 . 1 1 53 53 V CB C 53 31.900 31.739 0.161
1652 4 . 1 1 53 53 V H H 53 7.080 7.484 -0.404
1653 4 . 1 1 54 54 R N N 54 121.500 122.144 -0.644
1654 4 . 1 1 54 54 R HA H 54 3.620 3.892 -0.272
1655 4 . 1 1 54 54 R C C 54 177.100 178.812 -1.712
1656 4 . 1 1 54 54 R CA C 54 60.400 59.768 0.632
1657 4 . 1 1 54 54 R CB C 54 29.700 29.838 -0.138
1658 4 . 1 1 54 54 R H H 54 7.510 7.806 -0.296
1659 4 . 1 1 55 55 K N N 55 116.800 118.100 -1.300
1660 4 . 1 1 55 55 K HA H 55 3.890 4.066 -0.176
1661 4 . 1 1 55 55 K C C 55 176.000 179.449 -3.449
1662 4 . 1 1 55 55 K CA C 55 59.600 59.327 0.273
1663 4 . 1 1 55 55 K CB C 55 31.800 32.164 -0.364
1664 4 . 1 1 55 55 K H H 55 8.170 8.054 0.116
1665 4 . 1 1 56 56 E N N 56 120.200 120.149 0.051
1666 4 . 1 1 56 56 E HA H 56 4.050 4.155 -0.105
1667 4 . 1 1 56 56 E CA C 56 59.100 58.835 0.265
1668 4 . 1 1 56 56 E CB C 56 29.200 29.966 -0.766
1669 4 . 1 1 56 56 E H H 56 7.600 7.943 -0.343
1670 4 . 1 1 57 57 L N N 57 120.200 120.287 -0.087
1671 4 . 1 1 57 57 L HA H 57 3.970 3.945 0.025
1672 4 . 1 1 57 57 L C C 57 178.300 178.693 -0.393
1673 4 . 1 1 57 57 L CA C 57 57.700 57.914 -0.214
1674 4 . 1 1 57 57 L CB C 57 42.000 41.562 0.438
1675 4 . 1 1 57 57 L H H 57 7.980 8.068 -0.088
1676 4 . 1 1 58 58 A N N 58 120.600 120.700 -0.100
1677 4 . 1 1 58 58 A HA H 58 3.400 3.537 -0.137
1678 4 . 1 1 58 58 A C C 58 178.600 178.799 -0.199
1679 4 . 1 1 58 58 A CA C 58 55.200 55.194 0.006
1680 4 . 1 1 58 58 A CB C 58 17.600 17.879 -0.279
1681 4 . 1 1 58 58 A H H 58 7.820 8.249 -0.429
1682 4 . 1 1 59 59 K N N 59 116.600 118.452 -1.852
1683 4 . 1 1 59 59 K HA H 59 3.990 3.936 0.054
1684 4 . 1 1 59 59 K C C 59 179.900 178.082 1.818
1685 4 . 1 1 59 59 K CA C 59 59.400 59.778 -0.378
1686 4 . 1 1 59 59 K CB C 59 32.000 32.372 -0.372
1687 4 . 1 1 59 59 K H H 59 7.630 7.908 -0.278
1688 4 . 1 1 60 60 E N N 60 120.700 118.522 2.178
1689 4 . 1 1 60 60 E HA H 60 4.390 4.134 0.256
1690 4 . 1 1 60 60 E C C 60 178.100 178.617 -0.517
1691 4 . 1 1 60 60 E CA C 60 58.100 58.621 -0.521
1692 4 . 1 1 60 60 E CB C 60 28.800 29.075 -0.275
1693 4 . 1 1 60 60 E H H 60 7.950 8.186 -0.236
1694 4 . 1 1 61 61 A N N 61 122.400 122.382 0.018
1695 4 . 1 1 61 61 A HA H 61 4.160 4.411 -0.251
1696 4 . 1 1 61 61 A C C 61 179.100 180.255 -1.155
1697 4 . 1 1 61 61 A CA C 61 56.000 54.996 1.004
1698 4 . 1 1 61 61 A CB C 61 17.300 18.323 -1.023
1699 4 . 1 1 61 61 A H H 61 8.300 8.462 -0.162
1700 4 . 1 1 62 62 E N N 62 115.600 117.982 -2.382
1701 4 . 1 1 62 62 E HA H 62 4.040 4.121 -0.081
1702 4 . 1 1 62 62 E C C 62 179.200 179.023 0.177
1703 4 . 1 1 62 62 E CA C 62 59.200 59.539 -0.339
1704 4 . 1 1 62 62 E CB C 62 29.300 29.179 0.121
1705 4 . 1 1 62 62 E H H 62 8.100 8.144 -0.044
1706 4 . 1 1 63 63 R N N 63 122.800 120.845 1.955
1707 4 . 1 1 63 63 R HA H 63 4.040 4.081 -0.041
1708 4 . 1 1 63 63 R C C 63 179.100 178.803 0.297
1709 4 . 1 1 63 63 R CA C 63 59.600 58.966 0.634
1710 4 . 1 1 63 63 R CB C 63 29.800 29.885 -0.085
1711 4 . 1 1 63 63 R H H 63 8.250 7.909 0.341
1712 4 . 1 1 64 64 L N N 64 120.800 120.075 0.725
1713 4 . 1 1 64 64 L HA H 64 3.870 4.240 -0.370
1714 4 . 1 1 64 64 L C C 64 178.200 179.540 -1.340
1715 4 . 1 1 64 64 L CA C 64 57.500 58.121 -0.621
1716 4 . 1 1 64 64 L CB C 64 42.300 41.691 0.609
1717 4 . 1 1 64 64 L H H 64 8.460 8.232 0.228
1718 4 . 1 1 65 65 A N N 65 120.200 122.166 -1.966
1719 4 . 1 1 65 65 A HA H 65 4.050 4.260 -0.210
1720 4 . 1 1 65 65 A C C 65 179.500 180.215 -0.715
1721 4 . 1 1 65 65 A CA C 65 55.200 55.892 -0.692
1722 4 . 1 1 65 65 A CB C 65 17.900 18.464 -0.564
1723 4 . 1 1 65 65 A H H 65 8.190 8.221 -0.031
1724 4 . 1 1 66 66 K N N 66 116.500 117.584 -1.084
1725 4 . 1 1 66 66 K HA H 66 4.190 4.049 0.141
1726 4 . 1 1 66 66 K C C 66 178.800 179.039 -0.239
1727 4 . 1 1 66 66 K CA C 66 58.900 59.157 -0.257
1728 4 . 1 1 66 66 K CB C 66 32.300 32.127 0.173
1729 4 . 1 1 66 66 K H H 66 7.700 8.235 -0.535
1730 4 . 1 1 67 67 E N N 67 120.200 119.140 1.060
1731 4 . 1 1 67 67 E HA H 67 3.840 3.947 -0.107
1732 4 . 1 1 67 67 E C C 67 178.000 177.667 0.333
1733 4 . 1 1 67 67 E CA C 67 59.100 58.677 0.423
1734 4 . 1 1 67 67 E CB C 67 29.300 30.078 -0.778
1735 4 . 1 1 67 67 E H H 67 8.270 8.193 0.077
1736 4 . 1 1 68 68 F N N 68 113.400 114.122 -0.722
1737 4 . 1 1 68 68 F HA H 68 4.760 4.601 0.159
1738 4 . 1 1 68 68 F C C 68 174.400 175.028 -0.628
1739 4 . 1 1 68 68 F CA C 68 56.300 57.484 -1.184
1740 4 . 1 1 68 68 F CB C 68 39.400 39.166 0.234
1741 4 . 1 1 68 68 F H H 68 7.800 7.680 0.120
1742 4 . 1 1 69 69 N N N 69 118.200 117.014 1.186
1743 4 . 1 1 69 69 N HA H 69 4.510 4.360 0.150
1744 4 . 1 1 69 69 N CA C 69 54.200 54.649 -0.449
1745 4 . 1 1 69 69 N CB C 69 37.000 38.152 -1.152
1746 4 . 1 1 69 69 N H H 69 7.950 8.078 -0.128
1747 4 . 1 1 70 70 I N N 70 113.900 116.922 -3.022
1748 4 . 1 1 70 70 I HA H 70 4.950 4.454 0.496
1749 4 . 1 1 70 70 I CA C 70 59.800 59.544 0.256
1750 4 . 1 1 70 70 I CB C 70 40.000 39.821 0.179
1751 4 . 1 1 70 70 I H H 70 8.480 7.637 0.843
1752 4 . 1 1 71 71 T N N 71 113.600 111.019 2.581
1753 4 . 1 1 71 71 T HA H 71 4.820 5.465 -0.645
1754 4 . 1 1 71 71 T C C 71 173.500 173.647 -0.147
1755 4 . 1 1 71 71 T CA C 71 61.500 59.752 1.748
1756 4 . 1 1 71 71 T CB C 71 71.200 71.899 -0.699
1757 4 . 1 1 71 71 T H H 71 8.520 8.685 -0.165
1758 4 . 1 1 72 72 V N N 72 122.600 120.389 2.211
1759 4 . 1 1 72 72 V HA H 72 5.330 4.864 0.466
1760 4 . 1 1 72 72 V C C 72 173.200 173.758 -0.558
1761 4 . 1 1 72 72 V CA C 72 59.200 60.444 -1.244
1762 4 . 1 1 72 72 V CB C 72 35.800 35.164 0.636
1763 4 . 1 1 72 72 V H H 72 8.720 8.607 0.113
1764 4 . 1 1 73 73 T N N 73 119.300 120.217 -0.917
1765 4 . 1 1 73 73 T HA H 73 4.410 5.195 -0.785
1766 4 . 1 1 73 73 T CA C 73 60.100 60.282 -0.182
1767 4 . 1 1 73 73 T CB C 73 71.800 71.164 0.636
1768 4 . 1 1 73 73 T H H 73 8.430 8.988 -0.558
1769 4 . 1 1 74 74 Y N N 74 118.100 119.433 -1.333
1770 4 . 1 1 74 74 Y HA H 74 5.530 5.980 -0.450
1771 4 . 1 1 74 74 Y CA C 74 55.900 55.267 0.633
1772 4 . 1 1 74 74 Y CB C 74 41.600 41.832 -0.232
1773 4 . 1 1 74 74 Y H H 74 8.120 8.500 -0.380
1774 4 . 1 1 75 75 T N N 75 115.000 118.246 -3.246
1775 4 . 1 1 75 75 T HA H 75 4.590 4.941 -0.351
1776 4 . 1 1 75 75 T CA C 75 60.700 61.646 -0.946
1777 4 . 1 1 75 75 T CB C 75 71.700 70.062 1.638
1778 4 . 1 1 75 75 T H H 75 8.810 8.714 0.096
1779 4 . 1 1 76 76 I N N 76 124.400 128.730 -4.330
1780 4 . 1 1 76 76 I HA H 76 4.800 4.650 0.150
1781 4 . 1 1 76 76 I C C 76 175.300 175.498 -0.198
1782 4 . 1 1 76 76 I CA C 76 59.900 60.249 -0.349
1783 4 . 1 1 76 76 I CB C 76 39.500 39.125 0.375
1784 4 . 1 1 76 76 I H H 76 8.650 9.287 -0.637
1785 4 . 1 1 77 77 R N N 77 125.900 127.807 -1.907
1786 4 . 1 1 77 77 R CA C 77 55.100 56.147 -1.047
1787 4 . 1 1 77 77 R CB C 77 32.500 30.448 2.052
1788 4 . 1 1 77 77 R H H 77 8.680 8.942 -0.262
1789 4 . 1 1 78 78 L N N 78 124.400 126.625 -2.225
1790 4 . 1 1 78 78 L HA H 78 4.320 4.987 -0.667
1791 4 . 1 1 78 78 L C C 78 177.000 175.437 1.563
1792 4 . 1 1 78 78 L CA C 78 55.200 53.697 1.503
1793 4 . 1 1 78 78 L CB C 78 42.200 45.521 -3.321
1794 4 . 1 1 78 78 L H H 78 8.500 9.032 -0.532
1795 4 . 1 1 79 79 E N N 79 121.300 128.083 -6.783
1796 4 . 1 1 79 79 E HA H 79 4.150 4.572 -0.422
1797 4 . 1 1 79 79 E C C 79 173.700 176.290 -2.590
1798 4 . 1 1 79 79 E CA C 79 55.400 56.808 -1.408
1799 4 . 1 1 79 79 E CB C 79 30.100 30.361 -0.261
1800 4 . 1 1 79 79 E H H 79 8.310 8.805 -0.495
1801 4 . 1 1 80 80 H N N 80 125.300 126.367 -1.067
1802 4 . 1 1 80 80 H HA H 80 4.580 4.725 -0.145
1803 4 . 1 1 80 80 H CA C 80 57.100 54.665 2.435
1804 4 . 1 1 80 80 H CB C 80 30.300 29.145 1.155
1805 4 . 1 1 80 80 H H H 80 8.090 8.927 -0.837
1806 5 . 1 1 2 2 E N N 2 121.100 124.168 -3.068
1807 5 . 1 1 2 2 E HA H 2 5.260 4.833 0.427
1808 5 . 1 1 2 2 E C C 2 174.300 174.849 -0.549
1809 5 . 1 1 2 2 E CA C 2 54.300 55.556 -1.256
1810 5 . 1 1 2 2 E CB C 2 32.400 31.636 0.764
1811 5 . 1 1 2 2 E H H 2 8.720 8.881 -0.161
1812 5 . 1 1 3 3 M N N 3 122.600 124.905 -2.305
1813 5 . 1 1 3 3 M HA H 3 5.120 5.130 -0.010
1814 5 . 1 1 3 3 M C C 3 172.600 174.158 -1.558
1815 5 . 1 1 3 3 M CA C 3 54.600 53.869 0.731
1816 5 . 1 1 3 3 M CB C 3 37.000 34.487 2.513
1817 5 . 1 1 3 3 M H H 3 8.990 9.209 -0.219
1818 5 . 1 1 4 4 D N N 4 126.300 128.535 -2.235
1819 5 . 1 1 4 4 D HA H 4 5.650 5.020 0.630
1820 5 . 1 1 4 4 D C C 4 175.000 175.373 -0.373
1821 5 . 1 1 4 4 D CA C 4 52.600 53.069 -0.469
1822 5 . 1 1 4 4 D CB C 4 41.800 41.913 -0.113
1823 5 . 1 1 4 4 D H H 4 8.810 9.296 -0.486
1824 5 . 1 1 5 5 I N N 5 124.600 127.163 -2.563
1825 5 . 1 1 5 5 I HA H 5 4.470 4.983 -0.513
1826 5 . 1 1 5 5 I C C 5 173.600 174.674 -1.074
1827 5 . 1 1 5 5 I CA C 5 60.500 60.622 -0.122
1828 5 . 1 1 5 5 I CB C 5 41.100 40.331 0.769
1829 5 . 1 1 5 5 I H H 5 9.520 9.223 0.297
1830 5 . 1 1 6 6 R N N 6 127.500 125.744 1.756
1831 5 . 1 1 6 6 R HA H 6 5.410 5.507 -0.097
1832 5 . 1 1 6 6 R C C 6 175.300 175.103 0.197
1833 5 . 1 1 6 6 R CA C 6 54.400 54.639 -0.239
1834 5 . 1 1 6 6 R CB C 6 32.500 32.460 0.040
1835 5 . 1 1 6 6 R H H 6 8.970 9.041 -0.071
1836 5 . 1 1 7 7 F N N 7 125.400 122.802 2.598
1837 5 . 1 1 7 7 F HA H 7 5.720 4.947 0.773
1838 5 . 1 1 7 7 F C C 7 174.800 174.803 -0.003
1839 5 . 1 1 7 7 F CA C 7 56.000 57.518 -1.518
1840 5 . 1 1 7 7 F CB C 7 42.300 41.053 1.247
1841 5 . 1 1 7 7 F H H 7 9.530 9.364 0.166
1842 5 . 1 1 8 8 R N N 8 121.100 121.746 -0.646
1843 5 . 1 1 8 8 R HA H 8 5.700 5.359 0.341
1844 5 . 1 1 8 8 R C C 8 175.400 174.950 0.450
1845 5 . 1 1 8 8 R CA C 8 54.500 54.538 -0.038
1846 5 . 1 1 8 8 R CB C 8 33.800 33.303 0.497
1847 5 . 1 1 8 8 R H H 8 8.770 8.914 -0.144
1848 5 . 1 1 9 9 G N N 9 111.500 113.925 -2.425
1849 5 . 1 1 9 9 G C C 9 171.200 174.488 -3.288
1850 5 . 1 1 9 9 G CA C 9 45.200 44.269 0.931
1851 5 . 1 1 9 9 G H H 9 8.630 8.880 -0.250
1852 5 . 1 1 10 10 D N N 10 117.300 122.229 -4.929
1853 5 . 1 1 10 10 D HA H 10 4.710 4.474 0.236
1854 5 . 1 1 10 10 D C C 10 175.300 176.181 -0.881
1855 5 . 1 1 10 10 D CA C 10 53.400 56.818 -3.418
1856 5 . 1 1 10 10 D CB C 10 41.400 41.847 -0.447
1857 5 . 1 1 10 10 D H H 10 8.230 8.534 -0.304
1858 5 . 1 1 11 11 D N N 11 119.000 117.469 1.531
1859 5 . 1 1 11 11 D HA H 11 4.690 4.723 -0.033
1860 5 . 1 1 11 11 D C C 11 175.500 176.067 -0.567
1861 5 . 1 1 11 11 D CA C 11 52.600 52.651 -0.051
1862 5 . 1 1 11 11 D CB C 11 41.500 41.437 0.063
1863 5 . 1 1 11 11 D H H 11 7.400 7.790 -0.390
1864 5 . 1 1 12 12 L N N 12 125.800 120.108 5.692
1865 5 . 1 1 12 12 L HA H 12 3.850 4.229 -0.379
1866 5 . 1 1 12 12 L C C 12 179.100 178.435 0.665
1867 5 . 1 1 12 12 L CA C 12 57.800 57.047 0.753
1868 5 . 1 1 12 12 L CB C 12 41.700 42.731 -1.031
1869 5 . 1 1 12 12 L H H 12 8.520 8.656 -0.136
1870 5 . 1 1 13 13 E N N 13 119.800 117.451 2.349
1871 5 . 1 1 13 13 E HA H 13 3.980 4.038 -0.058
1872 5 . 1 1 13 13 E C C 13 178.600 178.392 0.208
1873 5 . 1 1 13 13 E CA C 13 59.300 58.787 0.513
1874 5 . 1 1 13 13 E CB C 13 29.100 28.371 0.729
1875 5 . 1 1 13 13 E H H 13 8.140 8.321 -0.181
1876 5 . 1 1 14 14 A N N 14 122.200 122.974 -0.774
1877 5 . 1 1 14 14 A HA H 14 3.380 3.326 0.054
1878 5 . 1 1 14 14 A C C 14 179.300 179.257 0.043
1879 5 . 1 1 14 14 A CA C 14 54.400 54.425 -0.025
1880 5 . 1 1 14 14 A CB C 14 18.700 17.717 0.983
1881 5 . 1 1 14 14 A H H 14 7.460 7.793 -0.333
1882 5 . 1 1 15 15 F N N 15 115.400 120.035 -4.635
1883 5 . 1 1 15 15 F HA H 15 3.850 3.985 -0.135
1884 5 . 1 1 15 15 F C C 15 177.000 177.333 -0.333
1885 5 . 1 1 15 15 F CA C 15 57.700 61.064 -3.364
1886 5 . 1 1 15 15 F CB C 15 37.500 39.507 -2.007
1887 5 . 1 1 15 15 F H H 15 7.380 7.984 -0.604
1888 5 . 1 1 16 16 E N N 16 118.800 117.959 0.841
1889 5 . 1 1 16 16 E HA H 16 3.660 3.328 0.332
1890 5 . 1 1 16 16 E C C 16 178.700 178.913 -0.213
1891 5 . 1 1 16 16 E CA C 16 59.800 59.439 0.361
1892 5 . 1 1 16 16 E CB C 16 29.100 29.269 -0.169
1893 5 . 1 1 16 16 E H H 16 7.990 8.186 -0.196
1894 5 . 1 1 17 17 K N N 17 118.200 119.439 -1.239
1895 5 . 1 1 17 17 K HA H 17 3.780 3.953 -0.173
1896 5 . 1 1 17 17 K C C 17 179.000 178.745 0.255
1897 5 . 1 1 17 17 K CA C 17 59.600 59.478 0.122
1898 5 . 1 1 17 17 K CB C 17 32.400 32.496 -0.096
1899 5 . 1 1 17 17 K H H 17 7.550 8.043 -0.493
1900 5 . 1 1 18 18 A N N 18 122.400 121.601 0.799
1901 5 . 1 1 18 18 A HA H 18 3.890 4.002 -0.112
1902 5 . 1 1 18 18 A C C 18 178.900 179.596 -0.696
1903 5 . 1 1 18 18 A CA C 18 54.800 54.963 -0.163
1904 5 . 1 1 18 18 A CB C 18 17.100 18.248 -1.148
1905 5 . 1 1 18 18 A H H 18 8.060 7.169 0.891
1906 5 . 1 1 19 19 L N N 19 118.700 119.201 -0.501
1907 5 . 1 1 19 19 L HA H 19 3.690 3.895 -0.205
1908 5 . 1 1 19 19 L C C 19 177.700 178.290 -0.590
1909 5 . 1 1 19 19 L CA C 19 57.900 57.555 0.345
1910 5 . 1 1 19 19 L CB C 19 41.700 41.077 0.623
1911 5 . 1 1 19 19 L H H 19 8.280 7.422 0.858
1912 5 . 1 1 20 20 K N N 20 116.600 118.483 -1.883
1913 5 . 1 1 20 20 K HA H 20 3.780 3.770 0.010
1914 5 . 1 1 20 20 K C C 20 179.700 178.548 1.152
1915 5 . 1 1 20 20 K CA C 20 60.000 59.534 0.466
1916 5 . 1 1 20 20 K CB C 20 32.400 32.100 0.300
1917 5 . 1 1 20 20 K H H 20 7.760 8.134 -0.374
1918 5 . 1 1 21 21 E N N 21 118.700 119.181 -0.481
1919 5 . 1 1 21 21 E HA H 21 4.300 4.043 0.257
1920 5 . 1 1 21 21 E C C 21 178.500 179.400 -0.900
1921 5 . 1 1 21 21 E CA C 21 58.400 59.179 -0.779
1922 5 . 1 1 21 21 E CB C 21 29.100 29.235 -0.135
1923 5 . 1 1 21 21 E H H 21 7.750 7.905 -0.155
1924 5 . 1 1 22 22 M N N 22 119.100 119.213 -0.113
1925 5 . 1 1 22 22 M HA H 22 4.390 4.127 0.263
1926 5 . 1 1 22 22 M C C 22 178.800 178.666 0.134
1927 5 . 1 1 22 22 M CA C 22 57.300 58.835 -1.535
1928 5 . 1 1 22 22 M CB C 22 31.200 32.971 -1.771
1929 5 . 1 1 22 22 M H H 22 8.300 7.959 0.341
1930 5 . 1 1 23 23 I N N 23 120.200 119.579 0.621
1931 5 . 1 1 23 23 I HA H 23 3.550 3.660 -0.110
1932 5 . 1 1 23 23 I C C 23 177.600 177.727 -0.127
1933 5 . 1 1 23 23 I CA C 23 66.100 65.094 1.006
1934 5 . 1 1 23 23 I CB C 23 37.700 37.628 0.072
1935 5 . 1 1 23 23 I H H 23 8.460 8.156 0.304
1936 5 . 1 1 24 24 R N N 24 120.200 121.141 -0.941
1937 5 . 1 1 24 24 R HA H 24 3.890 3.885 0.005
1938 5 . 1 1 24 24 R C C 24 179.400 178.981 0.419
1939 5 . 1 1 24 24 R CA C 24 59.900 59.992 -0.092
1940 5 . 1 1 24 24 R CB C 24 30.200 30.151 0.049
1941 5 . 1 1 24 24 R H H 24 7.720 8.138 -0.418
1942 5 . 1 1 25 25 Q N N 25 117.100 118.196 -1.096
1943 5 . 1 1 25 25 Q HA H 25 3.930 4.076 -0.146
1944 5 . 1 1 25 25 Q C C 25 177.600 178.659 -1.059
1945 5 . 1 1 25 25 Q CA C 25 58.000 58.703 -0.703
1946 5 . 1 1 25 25 Q CB C 25 27.800 28.465 -0.665
1947 5 . 1 1 25 25 Q H H 25 8.190 7.930 0.260
1948 5 . 1 1 26 26 A N N 26 120.300 122.742 -2.442
1949 5 . 1 1 26 26 A HA H 26 3.690 4.200 -0.510
1950 5 . 1 1 26 26 A C C 26 179.400 179.999 -0.599
1951 5 . 1 1 26 26 A CA C 26 54.200 55.502 -1.302
1952 5 . 1 1 26 26 A CB C 26 18.300 18.333 -0.033
1953 5 . 1 1 26 26 A H H 26 8.240 8.301 -0.061
1954 5 . 1 1 27 27 R N N 27 117.500 117.494 0.006
1955 5 . 1 1 27 27 R HA H 27 4.070 4.116 -0.046
1956 5 . 1 1 27 27 R C C 27 178.900 179.358 -0.458
1957 5 . 1 1 27 27 R CA C 27 58.500 59.535 -1.035
1958 5 . 1 1 27 27 R CB C 27 29.700 29.830 -0.130
1959 5 . 1 1 27 27 R H H 27 8.080 8.347 -0.267
1960 5 . 1 1 28 28 K N N 28 119.100 119.620 -0.520
1961 5 . 1 1 28 28 K HA H 28 4.000 3.865 0.135
1962 5 . 1 1 28 28 K C C 28 176.900 175.745 1.155
1963 5 . 1 1 28 28 K CA C 28 58.600 58.787 -0.187
1964 5 . 1 1 28 28 K CB C 28 32.100 32.109 -0.009
1965 5 . 1 1 28 28 K H H 28 7.520 7.921 -0.401
1966 5 . 1 1 29 29 F N N 29 114.500 116.311 -1.811
1967 5 . 1 1 29 29 F HA H 29 4.930 4.829 0.101
1968 5 . 1 1 29 29 F C C 29 173.600 176.213 -2.613
1969 5 . 1 1 29 29 F CA C 29 55.800 57.039 -1.239
1970 5 . 1 1 29 29 F CB C 29 39.000 41.766 -2.766
1971 5 . 1 1 29 29 F H H 29 7.010 8.033 -1.023
1972 5 . 1 1 30 30 A N N 30 121.600 122.827 -1.227
1973 5 . 1 1 30 30 A HA H 30 4.130 4.399 -0.269
1974 5 . 1 1 30 30 A C C 30 176.700 177.937 -1.237
1975 5 . 1 1 30 30 A CA C 30 52.900 52.485 0.415
1976 5 . 1 1 30 30 A CB C 30 17.000 19.210 -2.210
1977 5 . 1 1 30 30 A H H 30 7.830 8.656 -0.826
1978 5 . 1 1 31 31 G N N 31 105.400 107.032 -1.632
1979 5 . 1 1 31 31 G C C 31 173.100 173.357 -0.257
1980 5 . 1 1 31 31 G CA C 31 45.100 46.810 -1.710
1981 5 . 1 1 31 31 G H H 31 7.950 8.303 -0.353
1982 5 . 1 1 32 32 T N N 32 115.700 120.907 -5.207
1983 5 . 1 1 32 32 T HA H 32 4.580 4.381 0.199
1984 5 . 1 1 32 32 T C C 32 173.100 174.213 -1.113
1985 5 . 1 1 32 32 T CA C 32 61.900 63.761 -1.861
1986 5 . 1 1 32 32 T CB C 32 70.500 69.230 1.270
1987 5 . 1 1 32 32 T H H 32 8.220 8.686 -0.466
1988 5 . 1 1 33 33 V N N 33 125.300 128.762 -3.462
1989 5 . 1 1 33 33 V HA H 33 5.150 4.650 0.500
1990 5 . 1 1 33 33 V C C 33 175.300 174.853 0.447
1991 5 . 1 1 33 33 V CA C 33 60.800 61.263 -0.463
1992 5 . 1 1 33 33 V CB C 33 34.300 32.909 1.391
1993 5 . 1 1 33 33 V H H 33 8.610 8.977 -0.367
1994 5 . 1 1 34 34 T N N 34 120.200 122.511 -2.311
1995 5 . 1 1 34 34 T HA H 34 4.670 5.320 -0.650
1996 5 . 1 1 34 34 T CA C 34 60.200 59.663 0.537
1997 5 . 1 1 34 34 T CB C 34 71.600 71.596 0.004
1998 5 . 1 1 34 34 T H H 34 8.890 8.880 0.010
1999 5 . 1 1 35 35 Y N N 35 118.100 122.690 -4.590
2000 5 . 1 1 35 35 Y HA H 35 5.720 6.462 -0.742
2001 5 . 1 1 35 35 Y C C 35 174.400 173.277 1.123
2002 5 . 1 1 35 35 Y CA C 35 56.200 55.394 0.806
2003 5 . 1 1 35 35 Y CB C 35 41.800 42.372 -0.572
2004 5 . 1 1 35 35 Y H H 35 8.360 8.658 -0.298
2005 5 . 1 1 36 36 T N N 36 115.200 113.740 1.460
2006 5 . 1 1 36 36 T HA H 36 4.400 5.229 -0.829
2007 5 . 1 1 36 36 T CA C 36 60.200 59.960 0.240
2008 5 . 1 1 36 36 T CB C 36 71.800 71.760 0.040
2009 5 . 1 1 36 36 T H H 36 9.020 9.040 -0.020
2010 5 . 1 1 37 37 L N N 37 129.300 125.636 3.664
2011 5 . 1 1 37 37 L HA H 37 5.020 5.339 -0.319
2012 5 . 1 1 37 37 L C C 37 174.900 175.224 -0.324
2013 5 . 1 1 37 37 L CA C 37 54.400 53.454 0.946
2014 5 . 1 1 37 37 L CB C 37 43.800 43.944 -0.144
2015 5 . 1 1 37 37 L H H 37 8.850 8.918 -0.068
2016 5 . 1 1 38 38 D N N 38 127.200 124.531 2.669
2017 5 . 1 1 38 38 D HA H 38 4.850 4.922 -0.072
2018 5 . 1 1 38 38 D CA C 38 53.000 53.168 -0.168
2019 5 . 1 1 38 38 D CB C 38 42.300 42.964 -0.664
2020 5 . 1 1 38 38 D H H 38 8.740 8.500 0.240
2021 5 . 1 1 39 39 G N N 39 114.000 116.447 -2.447
2022 5 . 1 1 39 39 G C C 39 174.000 174.450 -0.450
2023 5 . 1 1 39 39 G CA C 39 47.400 47.291 0.109
2024 5 . 1 1 39 39 G H H 39 8.700 9.055 -0.355
2025 5 . 1 1 40 40 N N N 40 124.400 121.171 3.229
2026 5 . 1 1 40 40 N HA H 40 5.070 4.961 0.109
2027 5 . 1 1 40 40 N C C 40 173.100 174.560 -1.460
2028 5 . 1 1 40 40 N CA C 40 53.200 52.341 0.859
2029 5 . 1 1 40 40 N CB C 40 39.300 39.833 -0.533
2030 5 . 1 1 40 40 N H H 40 8.740 8.312 0.428
2031 5 . 1 1 41 41 D N N 41 118.500 120.486 -1.986
2032 5 . 1 1 41 41 D HA H 41 5.410 5.039 0.371
2033 5 . 1 1 41 41 D C C 41 173.600 174.644 -1.044
2034 5 . 1 1 41 41 D CA C 41 53.700 53.726 -0.026
2035 5 . 1 1 41 41 D CB C 41 43.800 41.664 2.136
2036 5 . 1 1 41 41 D H H 41 7.980 7.930 0.050
2037 5 . 1 1 42 42 L N N 42 125.100 126.845 -1.745
2038 5 . 1 1 42 42 L HA H 42 4.960 5.050 -0.090
2039 5 . 1 1 42 42 L C C 42 173.600 174.995 -1.395
2040 5 . 1 1 42 42 L CA C 42 53.400 53.998 -0.598
2041 5 . 1 1 42 42 L CB C 42 43.700 44.269 -0.569
2042 5 . 1 1 42 42 L H H 42 8.520 9.376 -0.856
2043 5 . 1 1 43 43 E N N 43 127.800 126.379 1.421
2044 5 . 1 1 43 43 E HA H 43 5.280 4.793 0.487
2045 5 . 1 1 43 43 E C C 43 174.900 175.420 -0.520
2046 5 . 1 1 43 43 E CA C 43 54.500 56.140 -1.640
2047 5 . 1 1 43 43 E CB C 43 32.000 30.297 1.703
2048 5 . 1 1 43 43 E H H 43 8.990 9.192 -0.202
2049 5 . 1 1 44 44 I N N 44 126.300 127.119 -0.819
2050 5 . 1 1 44 44 I HA H 44 4.760 4.777 -0.017
2051 5 . 1 1 44 44 I C C 44 173.800 174.357 -0.557
2052 5 . 1 1 44 44 I CA C 44 60.000 60.468 -0.468
2053 5 . 1 1 44 44 I CB C 44 41.200 38.665 2.535
2054 5 . 1 1 44 44 I H H 44 9.590 9.351 0.239
2055 5 . 1 1 45 45 R N N 45 127.800 129.050 -1.250
2056 5 . 1 1 45 45 R HA H 45 5.250 5.601 -0.351
2057 5 . 1 1 45 45 R C C 45 175.300 174.656 0.644
2058 5 . 1 1 45 45 R CA C 45 55.000 54.765 0.235
2059 5 . 1 1 45 45 R CB C 45 31.700 32.522 -0.822
2060 5 . 1 1 45 45 R H H 45 9.130 9.539 -0.409
2061 5 . 1 1 46 46 I N N 46 125.800 128.802 -3.002
2062 5 . 1 1 46 46 I HA H 46 5.150 4.887 0.263
2063 5 . 1 1 46 46 I C C 46 175.600 175.294 0.306
2064 5 . 1 1 46 46 I CA C 46 60.100 60.862 -0.762
2065 5 . 1 1 46 46 I CB C 46 39.900 39.180 0.720
2066 5 . 1 1 46 46 I H H 46 9.180 9.099 0.081
2067 5 . 1 1 47 47 T N N 47 118.800 121.018 -2.218
2068 5 . 1 1 47 47 T HA H 47 5.010 4.757 0.253
2069 5 . 1 1 47 47 T C C 47 174.300 175.027 -0.727
2070 5 . 1 1 47 47 T CA C 47 60.100 61.251 -1.151
2071 5 . 1 1 47 47 T CB C 47 70.900 71.529 -0.629
2072 5 . 1 1 47 47 T H H 47 9.020 8.996 0.024
2073 5 . 1 1 48 48 G N N 48 109.000 114.541 -5.541
2074 5 . 1 1 48 48 G C C 48 174.700 173.942 0.758
2075 5 . 1 1 48 48 G CA C 48 46.200 46.939 -0.739
2076 5 . 1 1 48 48 G H H 48 8.350 8.432 -0.082
2077 5 . 1 1 49 49 V N N 49 114.200 113.560 0.640
2078 5 . 1 1 49 49 V HA H 49 4.260 4.784 -0.524
2079 5 . 1 1 49 49 V CA C 49 58.200 58.071 0.129
2080 5 . 1 1 49 49 V CB C 49 32.500 33.655 -1.155
2081 5 . 1 1 49 49 V H H 49 7.760 7.664 0.096
2082 5 . 1 1 50 50 P HA H 50 4.580 4.566 0.014
2083 5 . 1 1 50 50 P C C 50 177.200 177.474 -0.274
2084 5 . 1 1 50 50 P CA C 50 61.800 63.107 -1.307
2085 5 . 1 1 50 50 P CB C 50 32.500 31.819 0.681
2086 5 . 1 1 51 51 E N N 51 123.400 123.411 -0.011
2087 5 . 1 1 51 51 E HA H 51 4.000 3.960 0.040
2088 5 . 1 1 51 51 E C C 51 178.500 178.656 -0.156
2089 5 . 1 1 51 51 E CA C 51 59.500 59.133 0.367
2090 5 . 1 1 51 51 E CB C 51 29.300 28.934 0.366
2091 5 . 1 1 51 51 E H H 51 8.890 8.623 0.267
2092 5 . 1 1 52 52 Q N N 52 115.200 119.414 -4.214
2093 5 . 1 1 52 52 Q HA H 52 4.100 4.047 0.053
2094 5 . 1 1 52 52 Q C C 52 177.300 177.799 -0.499
2095 5 . 1 1 52 52 Q CA C 52 58.600 58.651 -0.051
2096 5 . 1 1 52 52 Q CB C 52 27.700 27.816 -0.116
2097 5 . 1 1 52 52 Q H H 52 8.910 8.276 0.634
2098 5 . 1 1 53 53 V N N 53 114.900 120.805 -5.905
2099 5 . 1 1 53 53 V HA H 53 4.120 3.556 0.564
2100 5 . 1 1 53 53 V C C 53 176.100 177.555 -1.455
2101 5 . 1 1 53 53 V CA C 53 62.100 66.461 -4.361
2102 5 . 1 1 53 53 V CB C 53 31.900 30.969 0.931
2103 5 . 1 1 53 53 V H H 53 7.080 7.495 -0.415
2104 5 . 1 1 54 54 R N N 54 121.500 120.142 1.358
2105 5 . 1 1 54 54 R HA H 54 3.620 3.932 -0.312
2106 5 . 1 1 54 54 R C C 54 177.100 178.710 -1.610
2107 5 . 1 1 54 54 R CA C 54 60.400 59.395 1.005
2108 5 . 1 1 54 54 R CB C 54 29.700 29.844 -0.144
2109 5 . 1 1 54 54 R H H 54 7.510 8.116 -0.606
2110 5 . 1 1 55 55 K N N 55 116.800 118.352 -1.552
2111 5 . 1 1 55 55 K HA H 55 3.890 4.069 -0.179
2112 5 . 1 1 55 55 K C C 55 176.000 179.572 -3.572
2113 5 . 1 1 55 55 K CA C 55 59.600 59.833 -0.233
2114 5 . 1 1 55 55 K CB C 55 31.800 32.213 -0.413
2115 5 . 1 1 55 55 K H H 55 8.170 7.926 0.244
2116 5 . 1 1 56 56 E N N 56 120.200 120.233 -0.033
2117 5 . 1 1 56 56 E HA H 56 4.050 4.058 -0.008
2118 5 . 1 1 56 56 E CA C 56 59.100 58.956 0.144
2119 5 . 1 1 56 56 E CB C 56 29.200 29.810 -0.610
2120 5 . 1 1 56 56 E H H 56 7.600 7.903 -0.303
2121 5 . 1 1 57 57 L N N 57 120.200 120.524 -0.324
2122 5 . 1 1 57 57 L HA H 57 3.970 3.943 0.027
2123 5 . 1 1 57 57 L C C 57 178.300 178.786 -0.486
2124 5 . 1 1 57 57 L CA C 57 57.700 57.915 -0.215
2125 5 . 1 1 57 57 L CB C 57 42.000 41.357 0.643
2126 5 . 1 1 57 57 L H H 57 7.980 8.259 -0.279
2127 5 . 1 1 58 58 A N N 58 120.600 121.490 -0.890
2128 5 . 1 1 58 58 A HA H 58 3.400 3.899 -0.499
2129 5 . 1 1 58 58 A C C 58 178.600 178.950 -0.350
2130 5 . 1 1 58 58 A CA C 58 55.200 55.385 -0.185
2131 5 . 1 1 58 58 A CB C 58 17.600 17.886 -0.286
2132 5 . 1 1 58 58 A H H 58 7.820 8.046 -0.226
2133 5 . 1 1 59 59 K N N 59 116.600 118.388 -1.788
2134 5 . 1 1 59 59 K HA H 59 3.990 4.162 -0.172
2135 5 . 1 1 59 59 K C C 59 179.900 177.954 1.946
2136 5 . 1 1 59 59 K CA C 59 59.400 59.245 0.155
2137 5 . 1 1 59 59 K CB C 59 32.000 31.952 0.048
2138 5 . 1 1 59 59 K H H 59 7.630 7.754 -0.124
2139 5 . 1 1 60 60 E N N 60 120.700 118.716 1.984
2140 5 . 1 1 60 60 E HA H 60 4.390 4.087 0.303
2141 5 . 1 1 60 60 E C C 60 178.100 178.792 -0.692
2142 5 . 1 1 60 60 E CA C 60 58.100 58.847 -0.747
2143 5 . 1 1 60 60 E CB C 60 28.800 29.141 -0.341
2144 5 . 1 1 60 60 E H H 60 7.950 8.174 -0.224
2145 5 . 1 1 61 61 A N N 61 122.400 122.180 0.220
2146 5 . 1 1 61 61 A HA H 61 4.160 4.368 -0.208
2147 5 . 1 1 61 61 A C C 61 179.100 180.121 -1.021
2148 5 . 1 1 61 61 A CA C 61 56.000 54.995 1.005
2149 5 . 1 1 61 61 A CB C 61 17.300 18.322 -1.022
2150 5 . 1 1 61 61 A H H 61 8.300 8.124 0.176
2151 5 . 1 1 62 62 E N N 62 115.600 117.869 -2.269
2152 5 . 1 1 62 62 E HA H 62 4.040 3.943 0.097
2153 5 . 1 1 62 62 E C C 62 179.200 179.205 -0.005
2154 5 . 1 1 62 62 E CA C 62 59.200 59.533 -0.333
2155 5 . 1 1 62 62 E CB C 62 29.300 29.343 -0.043
2156 5 . 1 1 62 62 E H H 62 8.100 7.744 0.356
2157 5 . 1 1 63 63 R N N 63 122.800 120.465 2.335
2158 5 . 1 1 63 63 R HA H 63 4.040 4.035 0.005
2159 5 . 1 1 63 63 R C C 63 179.100 179.027 0.073
2160 5 . 1 1 63 63 R CA C 63 59.600 58.904 0.696
2161 5 . 1 1 63 63 R CB C 63 29.800 29.771 0.029
2162 5 . 1 1 63 63 R H H 63 8.250 7.483 0.767
2163 5 . 1 1 64 64 L N N 64 120.800 120.138 0.662
2164 5 . 1 1 64 64 L HA H 64 3.870 4.005 -0.135
2165 5 . 1 1 64 64 L C C 64 178.200 179.145 -0.945
2166 5 . 1 1 64 64 L CA C 64 57.500 58.010 -0.510
2167 5 . 1 1 64 64 L CB C 64 42.300 41.639 0.661
2168 5 . 1 1 64 64 L H H 64 8.460 8.437 0.023
2169 5 . 1 1 65 65 A N N 65 120.200 122.201 -2.001
2170 5 . 1 1 65 65 A HA H 65 4.050 4.312 -0.262
2171 5 . 1 1 65 65 A C C 65 179.500 179.896 -0.396
2172 5 . 1 1 65 65 A CA C 65 55.200 55.861 -0.661
2173 5 . 1 1 65 65 A CB C 65 17.900 18.786 -0.886
2174 5 . 1 1 65 65 A H H 65 8.190 8.590 -0.400
2175 5 . 1 1 66 66 K N N 66 116.500 117.534 -1.034
2176 5 . 1 1 66 66 K HA H 66 4.190 4.056 0.134
2177 5 . 1 1 66 66 K C C 66 178.800 179.013 -0.213
2178 5 . 1 1 66 66 K CA C 66 58.900 59.332 -0.432
2179 5 . 1 1 66 66 K CB C 66 32.300 32.105 0.195
2180 5 . 1 1 66 66 K H H 66 7.700 8.088 -0.388
2181 5 . 1 1 67 67 E N N 67 120.200 119.714 0.486
2182 5 . 1 1 67 67 E HA H 67 3.840 3.916 -0.076
2183 5 . 1 1 67 67 E C C 67 178.000 178.190 -0.190
2184 5 . 1 1 67 67 E CA C 67 59.100 59.178 -0.078
2185 5 . 1 1 67 67 E CB C 67 29.300 29.304 -0.004
2186 5 . 1 1 67 67 E H H 67 8.270 8.008 0.262
2187 5 . 1 1 68 68 F N N 68 113.400 115.599 -2.199
2188 5 . 1 1 68 68 F HA H 68 4.760 4.583 0.177
2189 5 . 1 1 68 68 F C C 68 174.400 174.656 -0.256
2190 5 . 1 1 68 68 F CA C 68 56.300 57.787 -1.487
2191 5 . 1 1 68 68 F CB C 68 39.400 39.715 -0.315
2192 5 . 1 1 68 68 F H H 68 7.800 7.632 0.168
2193 5 . 1 1 69 69 N N N 69 118.200 113.779 4.421
2194 5 . 1 1 69 69 N HA H 69 4.510 4.344 0.166
2195 5 . 1 1 69 69 N CA C 69 54.200 54.633 -0.433
2196 5 . 1 1 69 69 N CB C 69 37.000 36.928 0.072
2197 5 . 1 1 69 69 N H H 69 7.950 7.906 0.044
2198 5 . 1 1 70 70 I N N 70 113.900 114.560 -0.660
2199 5 . 1 1 70 70 I HA H 70 4.950 4.770 0.180
2200 5 . 1 1 70 70 I CA C 70 59.800 59.269 0.531
2201 5 . 1 1 70 70 I CB C 70 40.000 40.508 -0.508
2202 5 . 1 1 70 70 I H H 70 8.480 7.684 0.796
2203 5 . 1 1 71 71 T N N 71 113.600 118.388 -4.788
2204 5 . 1 1 71 71 T HA H 71 4.820 5.032 -0.212
2205 5 . 1 1 71 71 T C C 71 173.500 173.977 -0.477
2206 5 . 1 1 71 71 T CA C 71 61.500 62.080 -0.580
2207 5 . 1 1 71 71 T CB C 71 71.200 70.711 0.489
2208 5 . 1 1 71 71 T H H 71 8.520 8.440 0.080
2209 5 . 1 1 72 72 V N N 72 122.600 123.471 -0.871
2210 5 . 1 1 72 72 V HA H 72 5.330 4.825 0.505
2211 5 . 1 1 72 72 V C C 72 173.200 173.797 -0.597
2212 5 . 1 1 72 72 V CA C 72 59.200 60.404 -1.204
2213 5 . 1 1 72 72 V CB C 72 35.800 35.315 0.485
2214 5 . 1 1 72 72 V H H 72 8.720 8.706 0.014
2215 5 . 1 1 73 73 T N N 73 119.300 119.633 -0.333
2216 5 . 1 1 73 73 T HA H 73 4.410 5.395 -0.985
2217 5 . 1 1 73 73 T CA C 73 60.100 59.180 0.920
2218 5 . 1 1 73 73 T CB C 73 71.800 71.937 -0.137
2219 5 . 1 1 73 73 T H H 73 8.430 8.625 -0.195
2220 5 . 1 1 74 74 Y N N 74 118.100 118.756 -0.656
2221 5 . 1 1 74 74 Y HA H 74 5.530 6.051 -0.521
2222 5 . 1 1 74 74 Y CA C 74 55.900 55.637 0.263
2223 5 . 1 1 74 74 Y CB C 74 41.600 41.708 -0.108
2224 5 . 1 1 74 74 Y H H 74 8.120 8.866 -0.746
2225 5 . 1 1 75 75 T N N 75 115.000 117.684 -2.684
2226 5 . 1 1 75 75 T HA H 75 4.590 4.972 -0.382
2227 5 . 1 1 75 75 T CA C 75 60.700 61.125 -0.425
2228 5 . 1 1 75 75 T CB C 75 71.700 72.589 -0.889
2229 5 . 1 1 75 75 T H H 75 8.810 9.226 -0.416
2230 5 . 1 1 76 76 I N N 76 124.400 126.457 -2.057
2231 5 . 1 1 76 76 I HA H 76 4.800 4.702 0.098
2232 5 . 1 1 76 76 I C C 76 175.300 174.939 0.361
2233 5 . 1 1 76 76 I CA C 76 59.900 60.392 -0.492
2234 5 . 1 1 76 76 I CB C 76 39.500 38.012 1.488
2235 5 . 1 1 76 76 I H H 76 8.650 8.910 -0.260
2236 5 . 1 1 77 77 R N N 77 125.900 127.676 -1.776
2237 5 . 1 1 77 77 R HA H 77 4.570 4.673 -0.103
2238 5 . 1 1 77 77 R CA C 77 55.100 55.879 -0.779
2239 5 . 1 1 77 77 R CB C 77 32.500 30.750 1.750
2240 5 . 1 1 77 77 R H H 77 8.680 9.067 -0.387
2241 5 . 1 1 78 78 L N N 78 124.400 127.714 -3.314
2242 5 . 1 1 78 78 L HA H 78 4.320 4.907 -0.587
2243 5 . 1 1 78 78 L C C 78 177.000 175.448 1.552
2244 5 . 1 1 78 78 L CA C 78 55.200 53.971 1.229
2245 5 . 1 1 78 78 L CB C 78 42.200 43.696 -1.496
2246 5 . 1 1 78 78 L H H 78 8.500 8.881 -0.381
2247 5 . 1 1 79 79 E N N 79 121.300 128.006 -6.706
2248 5 . 1 1 79 79 E HA H 79 4.150 4.994 -0.844
2249 5 . 1 1 79 79 E C C 79 173.700 175.577 -1.877
2250 5 . 1 1 79 79 E CA C 79 55.400 55.402 -0.002
2251 5 . 1 1 79 79 E CB C 79 30.100 30.972 -0.872
2252 5 . 1 1 79 79 E H H 79 8.310 8.925 -0.615
2253 5 . 1 1 80 80 H N N 80 125.300 124.807 0.493
2254 5 . 1 1 80 80 H HA H 80 4.580 4.928 -0.348
2255 5 . 1 1 80 80 H CA C 80 57.100 56.621 0.479
2256 5 . 1 1 80 80 H CB C 80 30.300 32.598 -2.298
2257 5 . 1 1 80 80 H H H 80 8.090 8.592 -0.502
2258 6 . 1 1 2 2 E N N 2 121.100 125.632 -4.532
2259 6 . 1 1 2 2 E HA H 2 5.260 5.288 -0.028
2260 6 . 1 1 2 2 E C C 2 174.300 175.203 -0.903
2261 6 . 1 1 2 2 E CA C 2 54.300 54.650 -0.350
2262 6 . 1 1 2 2 E CB C 2 32.400 33.952 -1.552
2263 6 . 1 1 2 2 E H H 2 8.720 9.217 -0.497
2264 6 . 1 1 3 3 M N N 3 122.600 119.861 2.739
2265 6 . 1 1 3 3 M HA H 3 5.120 5.493 -0.373
2266 6 . 1 1 3 3 M C C 3 172.600 173.718 -1.118
2267 6 . 1 1 3 3 M CA C 3 54.600 53.791 0.809
2268 6 . 1 1 3 3 M CB C 3 37.000 35.127 1.873
2269 6 . 1 1 3 3 M H H 3 8.990 8.871 0.119
2270 6 . 1 1 4 4 D N N 4 126.300 124.266 2.034
2271 6 . 1 1 4 4 D HA H 4 5.650 4.985 0.665
2272 6 . 1 1 4 4 D C C 4 175.000 175.028 -0.028
2273 6 . 1 1 4 4 D CA C 4 52.600 53.660 -1.060
2274 6 . 1 1 4 4 D CB C 4 41.800 41.527 0.273
2275 6 . 1 1 4 4 D H H 4 8.810 9.138 -0.328
2276 6 . 1 1 5 5 I N N 5 124.600 126.235 -1.635
2277 6 . 1 1 5 5 I HA H 5 4.470 4.760 -0.290
2278 6 . 1 1 5 5 I C C 5 173.600 174.791 -1.191
2279 6 . 1 1 5 5 I CA C 5 60.500 60.482 0.018
2280 6 . 1 1 5 5 I CB C 5 41.100 38.453 2.647
2281 6 . 1 1 5 5 I H H 5 9.520 9.387 0.133
2282 6 . 1 1 6 6 R N N 6 127.500 126.400 1.100
2283 6 . 1 1 6 6 R HA H 6 5.410 5.632 -0.222
2284 6 . 1 1 6 6 R C C 6 175.300 175.167 0.133
2285 6 . 1 1 6 6 R CA C 6 54.400 55.082 -0.682
2286 6 . 1 1 6 6 R CB C 6 32.500 32.184 0.316
2287 6 . 1 1 6 6 R H H 6 8.970 8.974 -0.004
2288 6 . 1 1 7 7 F N N 7 125.400 121.644 3.756
2289 6 . 1 1 7 7 F HA H 7 5.720 5.180 0.540
2290 6 . 1 1 7 7 F C C 7 174.800 174.716 0.084
2291 6 . 1 1 7 7 F CA C 7 56.000 56.851 -0.851
2292 6 . 1 1 7 7 F CB C 7 42.300 40.954 1.346
2293 6 . 1 1 7 7 F H H 7 9.530 9.302 0.228
2294 6 . 1 1 8 8 R N N 8 121.100 124.167 -3.067
2295 6 . 1 1 8 8 R HA H 8 5.700 5.237 0.463
2296 6 . 1 1 8 8 R C C 8 175.400 175.271 0.129
2297 6 . 1 1 8 8 R CA C 8 54.500 55.014 -0.514
2298 6 . 1 1 8 8 R CB C 8 33.800 33.650 0.150
2299 6 . 1 1 8 8 R H H 8 8.770 9.337 -0.567
2300 6 . 1 1 9 9 G N N 9 111.500 112.687 -1.187
2301 6 . 1 1 9 9 G C C 9 171.200 171.384 -0.184
2302 6 . 1 1 9 9 G CA C 9 45.200 45.674 -0.474
2303 6 . 1 1 9 9 G H H 9 8.630 8.466 0.164
2304 6 . 1 1 10 10 D N N 10 117.300 120.729 -3.429
2305 6 . 1 1 10 10 D HA H 10 4.710 5.030 -0.320
2306 6 . 1 1 10 10 D C C 10 175.300 174.681 0.619
2307 6 . 1 1 10 10 D CA C 10 53.400 53.505 -0.105
2308 6 . 1 1 10 10 D CB C 10 41.400 39.503 1.897
2309 6 . 1 1 10 10 D H H 10 8.230 8.426 -0.196
2310 6 . 1 1 11 11 D N N 11 119.000 124.561 -5.561
2311 6 . 1 1 11 11 D HA H 11 4.690 5.062 -0.372
2312 6 . 1 1 11 11 D C C 11 175.500 175.436 0.064
2313 6 . 1 1 11 11 D CA C 11 52.600 53.603 -1.003
2314 6 . 1 1 11 11 D CB C 11 41.500 44.097 -2.597
2315 6 . 1 1 11 11 D H H 11 7.400 7.834 -0.434
2316 6 . 1 1 12 12 L N N 12 125.800 124.460 1.340
2317 6 . 1 1 12 12 L HA H 12 3.850 4.399 -0.549
2318 6 . 1 1 12 12 L C C 12 179.100 178.840 0.260
2319 6 . 1 1 12 12 L CA C 12 57.800 56.791 1.009
2320 6 . 1 1 12 12 L CB C 12 41.700 43.254 -1.554
2321 6 . 1 1 12 12 L H H 12 8.520 8.434 0.086
2322 6 . 1 1 13 13 E N N 13 119.800 118.244 1.556
2323 6 . 1 1 13 13 E HA H 13 3.980 4.125 -0.145
2324 6 . 1 1 13 13 E C C 13 178.600 179.511 -0.911
2325 6 . 1 1 13 13 E CA C 13 59.300 59.278 0.022
2326 6 . 1 1 13 13 E CB C 13 29.100 28.364 0.736
2327 6 . 1 1 13 13 E H H 13 8.140 8.325 -0.185
2328 6 . 1 1 14 14 A N N 14 122.200 122.766 -0.566
2329 6 . 1 1 14 14 A HA H 14 3.380 3.378 0.002
2330 6 . 1 1 14 14 A C C 14 179.300 179.224 0.076
2331 6 . 1 1 14 14 A CA C 14 54.400 54.497 -0.097
2332 6 . 1 1 14 14 A CB C 14 18.700 17.874 0.826
2333 6 . 1 1 14 14 A H H 14 7.460 8.194 -0.734
2334 6 . 1 1 15 15 F N N 15 115.400 119.969 -4.569
2335 6 . 1 1 15 15 F HA H 15 3.850 3.950 -0.100
2336 6 . 1 1 15 15 F C C 15 177.000 177.082 -0.082
2337 6 . 1 1 15 15 F CA C 15 57.700 61.149 -3.449
2338 6 . 1 1 15 15 F CB C 15 37.500 39.531 -2.031
2339 6 . 1 1 15 15 F H H 15 7.380 8.146 -0.766
2340 6 . 1 1 16 16 E N N 16 118.800 119.264 -0.464
2341 6 . 1 1 16 16 E HA H 16 3.660 3.487 0.173
2342 6 . 1 1 16 16 E C C 16 178.700 178.424 0.276
2343 6 . 1 1 16 16 E CA C 16 59.800 59.675 0.125
2344 6 . 1 1 16 16 E CB C 16 29.100 28.991 0.109
2345 6 . 1 1 16 16 E H H 16 7.990 8.388 -0.398
2346 6 . 1 1 17 17 K N N 17 118.200 118.762 -0.562
2347 6 . 1 1 17 17 K HA H 17 3.780 3.888 -0.108
2348 6 . 1 1 17 17 K C C 17 179.000 178.975 0.025
2349 6 . 1 1 17 17 K CA C 17 59.600 59.157 0.443
2350 6 . 1 1 17 17 K CB C 17 32.400 32.126 0.274
2351 6 . 1 1 17 17 K H H 17 7.550 7.907 -0.357
2352 6 . 1 1 18 18 A N N 18 122.400 121.550 0.850
2353 6 . 1 1 18 18 A HA H 18 3.890 3.900 -0.010
2354 6 . 1 1 18 18 A C C 18 178.900 179.888 -0.988
2355 6 . 1 1 18 18 A CA C 18 54.800 54.692 0.108
2356 6 . 1 1 18 18 A CB C 18 17.100 17.474 -0.374
2357 6 . 1 1 18 18 A H H 18 8.060 7.781 0.279
2358 6 . 1 1 19 19 L N N 19 118.700 119.384 -0.684
2359 6 . 1 1 19 19 L HA H 19 3.690 3.778 -0.088
2360 6 . 1 1 19 19 L C C 19 177.700 178.205 -0.505
2361 6 . 1 1 19 19 L CA C 19 57.900 57.546 0.354
2362 6 . 1 1 19 19 L CB C 19 41.700 41.333 0.367
2363 6 . 1 1 19 19 L H H 19 8.280 7.557 0.723
2364 6 . 1 1 20 20 K N N 20 116.600 118.683 -2.083
2365 6 . 1 1 20 20 K HA H 20 3.780 3.772 0.008
2366 6 . 1 1 20 20 K C C 20 179.700 178.358 1.342
2367 6 . 1 1 20 20 K CA C 20 60.000 59.468 0.532
2368 6 . 1 1 20 20 K CB C 20 32.400 31.995 0.405
2369 6 . 1 1 20 20 K H H 20 7.760 7.979 -0.219
2370 6 . 1 1 21 21 E N N 21 118.700 118.884 -0.184
2371 6 . 1 1 21 21 E HA H 21 4.300 4.015 0.285
2372 6 . 1 1 21 21 E C C 21 178.500 179.552 -1.052
2373 6 . 1 1 21 21 E CA C 21 58.400 59.337 -0.937
2374 6 . 1 1 21 21 E CB C 21 29.100 29.288 -0.188
2375 6 . 1 1 21 21 E H H 21 7.750 8.113 -0.363
2376 6 . 1 1 22 22 M N N 22 119.100 118.960 0.140
2377 6 . 1 1 22 22 M HA H 22 4.390 4.231 0.159
2378 6 . 1 1 22 22 M C C 22 178.800 178.714 0.086
2379 6 . 1 1 22 22 M CA C 22 57.300 58.545 -1.245
2380 6 . 1 1 22 22 M CB C 22 31.200 32.232 -1.032
2381 6 . 1 1 22 22 M H H 22 8.300 7.829 0.471
2382 6 . 1 1 23 23 I N N 23 120.200 119.526 0.674
2383 6 . 1 1 23 23 I HA H 23 3.550 3.643 -0.093
2384 6 . 1 1 23 23 I C C 23 177.600 177.782 -0.182
2385 6 . 1 1 23 23 I CA C 23 66.100 65.253 0.847
2386 6 . 1 1 23 23 I CB C 23 37.700 37.482 0.218
2387 6 . 1 1 23 23 I H H 23 8.460 7.903 0.557
2388 6 . 1 1 24 24 R N N 24 120.200 121.320 -1.120
2389 6 . 1 1 24 24 R HA H 24 3.890 3.875 0.015
2390 6 . 1 1 24 24 R C C 24 179.400 178.889 0.511
2391 6 . 1 1 24 24 R CA C 24 59.900 59.845 0.055
2392 6 . 1 1 24 24 R CB C 24 30.200 29.985 0.215
2393 6 . 1 1 24 24 R H H 24 7.720 8.019 -0.299
2394 6 . 1 1 25 25 Q N N 25 117.100 118.307 -1.207
2395 6 . 1 1 25 25 Q HA H 25 3.930 4.014 -0.084
2396 6 . 1 1 25 25 Q C C 25 177.600 178.341 -0.741
2397 6 . 1 1 25 25 Q CA C 25 58.000 58.579 -0.579
2398 6 . 1 1 25 25 Q CB C 25 27.800 28.333 -0.533
2399 6 . 1 1 25 25 Q H H 25 8.190 7.915 0.275
2400 6 . 1 1 26 26 A N N 26 120.300 122.796 -2.496
2401 6 . 1 1 26 26 A HA H 26 3.690 4.334 -0.644
2402 6 . 1 1 26 26 A C C 26 179.400 180.232 -0.832
2403 6 . 1 1 26 26 A CA C 26 54.200 55.152 -0.952
2404 6 . 1 1 26 26 A CB C 26 18.300 18.324 -0.024
2405 6 . 1 1 26 26 A H H 26 8.240 8.311 -0.071
2406 6 . 1 1 27 27 R N N 27 117.500 117.559 -0.059
2407 6 . 1 1 27 27 R HA H 27 4.070 4.093 -0.023
2408 6 . 1 1 27 27 R C C 27 178.900 177.871 1.029
2409 6 . 1 1 27 27 R CA C 27 58.500 59.366 -0.866
2410 6 . 1 1 27 27 R CB C 27 29.700 29.863 -0.163
2411 6 . 1 1 27 27 R H H 27 8.080 8.272 -0.192
2412 6 . 1 1 28 28 K N N 28 119.100 116.824 2.276
2413 6 . 1 1 28 28 K HA H 28 4.000 4.093 -0.093
2414 6 . 1 1 28 28 K C C 28 176.900 175.718 1.182
2415 6 . 1 1 28 28 K CA C 28 58.600 57.514 1.086
2416 6 . 1 1 28 28 K CB C 28 32.100 32.563 -0.463
2417 6 . 1 1 28 28 K H H 28 7.520 7.618 -0.098
2418 6 . 1 1 29 29 F N N 29 114.500 118.047 -3.547
2419 6 . 1 1 29 29 F HA H 29 4.930 5.002 -0.072
2420 6 . 1 1 29 29 F C C 29 173.600 174.639 -1.039
2421 6 . 1 1 29 29 F CA C 29 55.800 56.837 -1.037
2422 6 . 1 1 29 29 F CB C 29 39.000 41.487 -2.487
2423 6 . 1 1 29 29 F H H 29 7.010 7.642 -0.632
2424 6 . 1 1 30 30 A N N 30 121.600 125.260 -3.660
2425 6 . 1 1 30 30 A HA H 30 4.130 4.593 -0.463
2426 6 . 1 1 30 30 A C C 30 176.700 176.776 -0.076
2427 6 . 1 1 30 30 A CA C 30 52.900 51.345 1.555
2428 6 . 1 1 30 30 A CB C 30 17.000 17.952 -0.952
2429 6 . 1 1 30 30 A H H 30 7.830 8.683 -0.853
2430 6 . 1 1 31 31 G N N 31 105.400 107.902 -2.502
2431 6 . 1 1 31 31 G C C 31 173.100 172.243 0.857
2432 6 . 1 1 31 31 G CA C 31 45.100 44.526 0.574
2433 6 . 1 1 31 31 G H H 31 7.950 8.300 -0.350
2434 6 . 1 1 32 32 T N N 32 115.700 115.795 -0.095
2435 6 . 1 1 32 32 T HA H 32 4.580 4.982 -0.402
2436 6 . 1 1 32 32 T C C 32 173.100 173.970 -0.870
2437 6 . 1 1 32 32 T CA C 32 61.900 61.689 0.211
2438 6 . 1 1 32 32 T CB C 32 70.500 70.162 0.338
2439 6 . 1 1 32 32 T H H 32 8.220 8.471 -0.251
2440 6 . 1 1 33 33 V N N 33 125.300 128.102 -2.802
2441 6 . 1 1 33 33 V HA H 33 5.150 5.033 0.117
2442 6 . 1 1 33 33 V C C 33 175.300 174.291 1.009
2443 6 . 1 1 33 33 V CA C 33 60.800 61.102 -0.302
2444 6 . 1 1 33 33 V CB C 33 34.300 34.281 0.019
2445 6 . 1 1 33 33 V H H 33 8.610 9.092 -0.482
2446 6 . 1 1 34 34 T N N 34 120.200 122.046 -1.846
2447 6 . 1 1 34 34 T HA H 34 4.670 5.327 -0.657
2448 6 . 1 1 34 34 T CA C 34 60.200 59.189 1.011
2449 6 . 1 1 34 34 T CB C 34 71.600 72.652 -1.052
2450 6 . 1 1 34 34 T H H 34 8.890 8.963 -0.073
2451 6 . 1 1 35 35 Y N N 35 118.100 120.137 -2.037
2452 6 . 1 1 35 35 Y HA H 35 5.720 6.068 -0.348
2453 6 . 1 1 35 35 Y C C 35 174.400 172.789 1.611
2454 6 . 1 1 35 35 Y CA C 35 56.200 56.218 -0.018
2455 6 . 1 1 35 35 Y CB C 35 41.800 41.340 0.460
2456 6 . 1 1 35 35 Y H H 35 8.360 8.788 -0.428
2457 6 . 1 1 36 36 T N N 36 115.200 115.839 -0.639
2458 6 . 1 1 36 36 T HA H 36 4.400 5.014 -0.614
2459 6 . 1 1 36 36 T CA C 36 60.200 60.055 0.145
2460 6 . 1 1 36 36 T CB C 36 71.800 71.400 0.400
2461 6 . 1 1 36 36 T H H 36 9.020 8.807 0.213
2462 6 . 1 1 37 37 L N N 37 129.300 128.842 0.458
2463 6 . 1 1 37 37 L HA H 37 5.020 4.953 0.067
2464 6 . 1 1 37 37 L C C 37 174.900 174.531 0.369
2465 6 . 1 1 37 37 L CA C 37 54.400 54.155 0.245
2466 6 . 1 1 37 37 L CB C 37 43.800 41.508 2.292
2467 6 . 1 1 37 37 L H H 37 8.850 8.885 -0.035
2468 6 . 1 1 38 38 D N N 38 127.200 125.409 1.791
2469 6 . 1 1 38 38 D HA H 38 4.850 4.961 -0.111
2470 6 . 1 1 38 38 D CA C 38 53.000 52.543 0.457
2471 6 . 1 1 38 38 D CB C 38 42.300 42.142 0.158
2472 6 . 1 1 38 38 D H H 38 8.740 8.597 0.143
2473 6 . 1 1 39 39 G N N 39 114.000 116.083 -2.083
2474 6 . 1 1 39 39 G C C 39 174.000 174.445 -0.445
2475 6 . 1 1 39 39 G CA C 39 47.400 47.302 0.098
2476 6 . 1 1 39 39 G H H 39 8.700 8.927 -0.227
2477 6 . 1 1 40 40 N N N 40 124.400 121.067 3.333
2478 6 . 1 1 40 40 N HA H 40 5.070 4.971 0.099
2479 6 . 1 1 40 40 N C C 40 173.100 174.684 -1.584
2480 6 . 1 1 40 40 N CA C 40 53.200 52.252 0.948
2481 6 . 1 1 40 40 N CB C 40 39.300 39.570 -0.270
2482 6 . 1 1 40 40 N H H 40 8.740 8.282 0.458
2483 6 . 1 1 41 41 D N N 41 118.500 120.042 -1.542
2484 6 . 1 1 41 41 D HA H 41 5.410 5.215 0.195
2485 6 . 1 1 41 41 D C C 41 173.600 174.071 -0.471
2486 6 . 1 1 41 41 D CA C 41 53.700 52.806 0.894
2487 6 . 1 1 41 41 D CB C 41 43.800 43.911 -0.111
2488 6 . 1 1 41 41 D H H 41 7.980 7.768 0.212
2489 6 . 1 1 42 42 L N N 42 125.100 126.524 -1.424
2490 6 . 1 1 42 42 L HA H 42 4.960 5.155 -0.195
2491 6 . 1 1 42 42 L C C 42 173.600 175.094 -1.494
2492 6 . 1 1 42 42 L CA C 42 53.400 53.847 -0.447
2493 6 . 1 1 42 42 L CB C 42 43.700 44.571 -0.871
2494 6 . 1 1 42 42 L H H 42 8.520 9.158 -0.638
2495 6 . 1 1 43 43 E N N 43 127.800 126.651 1.149
2496 6 . 1 1 43 43 E HA H 43 5.280 4.790 0.490
2497 6 . 1 1 43 43 E C C 43 174.900 175.591 -0.691
2498 6 . 1 1 43 43 E CA C 43 54.500 56.201 -1.701
2499 6 . 1 1 43 43 E CB C 43 32.000 30.490 1.510
2500 6 . 1 1 43 43 E H H 43 8.990 8.911 0.079
2501 6 . 1 1 44 44 I N N 44 126.300 126.294 0.006
2502 6 . 1 1 44 44 I HA H 44 4.760 5.140 -0.380
2503 6 . 1 1 44 44 I C C 44 173.800 174.221 -0.421
2504 6 . 1 1 44 44 I CA C 44 60.000 60.469 -0.469
2505 6 . 1 1 44 44 I CB C 44 41.200 39.688 1.512
2506 6 . 1 1 44 44 I H H 44 9.590 9.494 0.096
2507 6 . 1 1 45 45 R N N 45 127.800 129.188 -1.388
2508 6 . 1 1 45 45 R HA H 45 5.250 5.205 0.045
2509 6 . 1 1 45 45 R C C 45 175.300 174.803 0.497
2510 6 . 1 1 45 45 R CA C 45 55.000 54.833 0.167
2511 6 . 1 1 45 45 R CB C 45 31.700 32.949 -1.249
2512 6 . 1 1 45 45 R H H 45 9.130 9.229 -0.099
2513 6 . 1 1 46 46 I N N 46 125.800 128.679 -2.879
2514 6 . 1 1 46 46 I HA H 46 5.150 5.052 0.098
2515 6 . 1 1 46 46 I C C 46 175.600 175.324 0.276
2516 6 . 1 1 46 46 I CA C 46 60.100 60.156 -0.056
2517 6 . 1 1 46 46 I CB C 46 39.900 39.292 0.608
2518 6 . 1 1 46 46 I H H 46 9.180 8.990 0.190
2519 6 . 1 1 47 47 T N N 47 118.800 121.175 -2.375
2520 6 . 1 1 47 47 T HA H 47 5.010 4.694 0.316
2521 6 . 1 1 47 47 T C C 47 174.300 174.959 -0.659
2522 6 . 1 1 47 47 T CA C 47 60.100 61.365 -1.265
2523 6 . 1 1 47 47 T CB C 47 70.900 71.389 -0.489
2524 6 . 1 1 47 47 T H H 47 9.020 9.025 -0.005
2525 6 . 1 1 48 48 G N N 48 109.000 114.220 -5.220
2526 6 . 1 1 48 48 G C C 48 174.700 173.923 0.777
2527 6 . 1 1 48 48 G CA C 48 46.200 46.374 -0.174
2528 6 . 1 1 48 48 G H H 48 8.350 8.784 -0.434
2529 6 . 1 1 49 49 V N N 49 114.200 116.221 -2.021
2530 6 . 1 1 49 49 V HA H 49 4.260 4.425 -0.165
2531 6 . 1 1 49 49 V CA C 49 58.200 57.929 0.271
2532 6 . 1 1 49 49 V CB C 49 32.500 33.305 -0.805
2533 6 . 1 1 49 49 V H H 49 7.760 7.576 0.184
2534 6 . 1 1 50 50 P HA H 50 4.580 4.497 0.083
2535 6 . 1 1 50 50 P C C 50 177.200 177.446 -0.246
2536 6 . 1 1 50 50 P CA C 50 61.800 63.118 -1.318
2537 6 . 1 1 50 50 P CB C 50 32.500 32.156 0.344
2538 6 . 1 1 51 51 E N N 51 123.400 123.230 0.170
2539 6 . 1 1 51 51 E HA H 51 4.000 3.912 0.088
2540 6 . 1 1 51 51 E C C 51 178.500 178.484 0.016
2541 6 . 1 1 51 51 E CA C 51 59.500 59.008 0.492
2542 6 . 1 1 51 51 E CB C 51 29.300 28.939 0.361
2543 6 . 1 1 51 51 E H H 51 8.890 8.618 0.272
2544 6 . 1 1 52 52 Q N N 52 115.200 119.574 -4.374
2545 6 . 1 1 52 52 Q HA H 52 4.100 4.092 0.008
2546 6 . 1 1 52 52 Q C C 52 177.300 177.361 -0.061
2547 6 . 1 1 52 52 Q CA C 52 58.600 58.500 0.100
2548 6 . 1 1 52 52 Q CB C 52 27.700 28.110 -0.410
2549 6 . 1 1 52 52 Q H H 52 8.910 8.461 0.449
2550 6 . 1 1 53 53 V N N 53 114.900 120.394 -5.494
2551 6 . 1 1 53 53 V HA H 53 4.120 3.921 0.199
2552 6 . 1 1 53 53 V C C 53 176.100 177.521 -1.421
2553 6 . 1 1 53 53 V CA C 53 62.100 65.849 -3.749
2554 6 . 1 1 53 53 V CB C 53 31.900 31.682 0.218
2555 6 . 1 1 53 53 V H H 53 7.080 7.492 -0.412
2556 6 . 1 1 54 54 R N N 54 121.500 120.487 1.013
2557 6 . 1 1 54 54 R HA H 54 3.620 3.882 -0.262
2558 6 . 1 1 54 54 R C C 54 177.100 178.143 -1.043
2559 6 . 1 1 54 54 R CA C 54 60.400 59.535 0.865
2560 6 . 1 1 54 54 R CB C 54 29.700 29.614 0.086
2561 6 . 1 1 54 54 R H H 54 7.510 7.980 -0.470
2562 6 . 1 1 55 55 K N N 55 116.800 117.670 -0.870
2563 6 . 1 1 55 55 K HA H 55 3.890 4.010 -0.120
2564 6 . 1 1 55 55 K C C 55 176.000 178.905 -2.905
2565 6 . 1 1 55 55 K CA C 55 59.600 59.373 0.227
2566 6 . 1 1 55 55 K CB C 55 31.800 32.245 -0.445
2567 6 . 1 1 55 55 K H H 55 8.170 7.624 0.546
2568 6 . 1 1 56 56 E N N 56 120.200 119.652 0.548
2569 6 . 1 1 56 56 E HA H 56 4.050 4.074 -0.024
2570 6 . 1 1 56 56 E CA C 56 59.100 58.918 0.182
2571 6 . 1 1 56 56 E CB C 56 29.200 29.683 -0.483
2572 6 . 1 1 56 56 E H H 56 7.600 7.777 -0.177
2573 6 . 1 1 57 57 L N N 57 120.200 120.223 -0.023
2574 6 . 1 1 57 57 L HA H 57 3.970 3.992 -0.022
2575 6 . 1 1 57 57 L C C 57 178.300 178.826 -0.526
2576 6 . 1 1 57 57 L CA C 57 57.700 57.913 -0.213
2577 6 . 1 1 57 57 L CB C 57 42.000 41.476 0.524
2578 6 . 1 1 57 57 L H H 57 7.980 8.245 -0.265
2579 6 . 1 1 58 58 A N N 58 120.600 121.496 -0.896
2580 6 . 1 1 58 58 A HA H 58 3.400 3.628 -0.228
2581 6 . 1 1 58 58 A C C 58 178.600 179.095 -0.495
2582 6 . 1 1 58 58 A CA C 58 55.200 55.257 -0.057
2583 6 . 1 1 58 58 A CB C 58 17.600 18.187 -0.587
2584 6 . 1 1 58 58 A H H 58 7.820 8.358 -0.538
2585 6 . 1 1 59 59 K N N 59 116.600 118.504 -1.904
2586 6 . 1 1 59 59 K HA H 59 3.990 4.247 -0.257
2587 6 . 1 1 59 59 K C C 59 179.900 178.305 1.595
2588 6 . 1 1 59 59 K CA C 59 59.400 59.375 0.025
2589 6 . 1 1 59 59 K CB C 59 32.000 32.064 -0.064
2590 6 . 1 1 59 59 K H H 59 7.630 7.755 -0.125
2591 6 . 1 1 60 60 E N N 60 120.700 118.959 1.741
2592 6 . 1 1 60 60 E HA H 60 4.390 4.099 0.291
2593 6 . 1 1 60 60 E C C 60 178.100 178.811 -0.711
2594 6 . 1 1 60 60 E CA C 60 58.100 59.419 -1.319
2595 6 . 1 1 60 60 E CB C 60 28.800 29.286 -0.486
2596 6 . 1 1 60 60 E H H 60 7.950 8.437 -0.487
2597 6 . 1 1 61 61 A N N 61 122.400 121.398 1.002
2598 6 . 1 1 61 61 A HA H 61 4.160 4.262 -0.102
2599 6 . 1 1 61 61 A C C 61 179.100 179.820 -0.720
2600 6 . 1 1 61 61 A CA C 61 56.000 55.016 0.984
2601 6 . 1 1 61 61 A CB C 61 17.300 18.214 -0.914
2602 6 . 1 1 61 61 A H H 61 8.300 8.095 0.205
2603 6 . 1 1 62 62 E N N 62 115.600 118.185 -2.585
2604 6 . 1 1 62 62 E HA H 62 4.040 4.103 -0.063
2605 6 . 1 1 62 62 E C C 62 179.200 179.369 -0.169
2606 6 . 1 1 62 62 E CA C 62 59.200 59.681 -0.481
2607 6 . 1 1 62 62 E CB C 62 29.300 29.296 0.004
2608 6 . 1 1 62 62 E H H 62 8.100 8.456 -0.356
2609 6 . 1 1 63 63 R N N 63 122.800 120.344 2.456
2610 6 . 1 1 63 63 R HA H 63 4.040 4.121 -0.081
2611 6 . 1 1 63 63 R C C 63 179.100 178.821 0.279
2612 6 . 1 1 63 63 R CA C 63 59.600 58.604 0.996
2613 6 . 1 1 63 63 R CB C 63 29.800 30.365 -0.565
2614 6 . 1 1 63 63 R H H 63 8.250 7.504 0.746
2615 6 . 1 1 64 64 L N N 64 120.800 120.203 0.597
2616 6 . 1 1 64 64 L HA H 64 3.870 4.243 -0.373
2617 6 . 1 1 64 64 L C C 64 178.200 179.496 -1.296
2618 6 . 1 1 64 64 L CA C 64 57.500 58.169 -0.669
2619 6 . 1 1 64 64 L CB C 64 42.300 41.812 0.488
2620 6 . 1 1 64 64 L H H 64 8.460 8.116 0.344
2621 6 . 1 1 65 65 A N N 65 120.200 121.977 -1.777
2622 6 . 1 1 65 65 A HA H 65 4.050 4.386 -0.336
2623 6 . 1 1 65 65 A C C 65 179.500 180.203 -0.703
2624 6 . 1 1 65 65 A CA C 65 55.200 55.658 -0.458
2625 6 . 1 1 65 65 A CB C 65 17.900 18.521 -0.621
2626 6 . 1 1 65 65 A H H 65 8.190 8.290 -0.100
2627 6 . 1 1 66 66 K N N 66 116.500 117.452 -0.952
2628 6 . 1 1 66 66 K HA H 66 4.190 4.010 0.180
2629 6 . 1 1 66 66 K C C 66 178.800 178.486 0.314
2630 6 . 1 1 66 66 K CA C 66 58.900 58.963 -0.063
2631 6 . 1 1 66 66 K CB C 66 32.300 31.951 0.349
2632 6 . 1 1 66 66 K H H 66 7.700 8.137 -0.437
2633 6 . 1 1 67 67 E N N 67 120.200 119.477 0.723
2634 6 . 1 1 67 67 E HA H 67 3.840 3.944 -0.104
2635 6 . 1 1 67 67 E C C 67 178.000 178.070 -0.070
2636 6 . 1 1 67 67 E CA C 67 59.100 58.634 0.466
2637 6 . 1 1 67 67 E CB C 67 29.300 29.778 -0.478
2638 6 . 1 1 67 67 E H H 67 8.270 8.166 0.104
2639 6 . 1 1 68 68 F N N 68 113.400 115.600 -2.200
2640 6 . 1 1 68 68 F HA H 68 4.760 4.599 0.161
2641 6 . 1 1 68 68 F C C 68 174.400 174.818 -0.418
2642 6 . 1 1 68 68 F CA C 68 56.300 57.793 -1.493
2643 6 . 1 1 68 68 F CB C 68 39.400 39.682 -0.282
2644 6 . 1 1 68 68 F H H 68 7.800 7.689 0.111
2645 6 . 1 1 69 69 N N N 69 118.200 113.770 4.430
2646 6 . 1 1 69 69 N HA H 69 4.510 4.406 0.104
2647 6 . 1 1 69 69 N CA C 69 54.200 54.551 -0.351
2648 6 . 1 1 69 69 N CB C 69 37.000 37.757 -0.757
2649 6 . 1 1 69 69 N H H 69 7.950 8.034 -0.084
2650 6 . 1 1 70 70 I N N 70 113.900 116.155 -2.255
2651 6 . 1 1 70 70 I HA H 70 4.950 4.422 0.528
2652 6 . 1 1 70 70 I CA C 70 59.800 59.899 -0.099
2653 6 . 1 1 70 70 I CB C 70 40.000 39.182 0.818
2654 6 . 1 1 70 70 I H H 70 8.480 7.871 0.609
2655 6 . 1 1 71 71 T N N 71 113.600 119.174 -5.574
2656 6 . 1 1 71 71 T HA H 71 4.820 4.689 0.131
2657 6 . 1 1 71 71 T C C 71 173.500 173.416 0.084
2658 6 . 1 1 71 71 T CA C 71 61.500 62.405 -0.905
2659 6 . 1 1 71 71 T CB C 71 71.200 69.258 1.942
2660 6 . 1 1 71 71 T H H 71 8.520 8.857 -0.337
2661 6 . 1 1 72 72 V N N 72 122.600 127.067 -4.467
2662 6 . 1 1 72 72 V HA H 72 5.330 5.063 0.267
2663 6 . 1 1 72 72 V C C 72 173.200 174.470 -1.270
2664 6 . 1 1 72 72 V CA C 72 59.200 59.627 -0.427
2665 6 . 1 1 72 72 V CB C 72 35.800 34.604 1.196
2666 6 . 1 1 72 72 V H H 72 8.720 8.845 -0.125
2667 6 . 1 1 73 73 T N N 73 119.300 119.535 -0.235
2668 6 . 1 1 73 73 T HA H 73 4.410 4.844 -0.434
2669 6 . 1 1 73 73 T CA C 73 60.100 60.244 -0.144
2670 6 . 1 1 73 73 T CB C 73 71.800 71.531 0.269
2671 6 . 1 1 73 73 T H H 73 8.430 8.459 -0.029
2672 6 . 1 1 74 74 Y N N 74 118.100 119.047 -0.947
2673 6 . 1 1 74 74 Y HA H 74 5.530 6.319 -0.789
2674 6 . 1 1 74 74 Y CA C 74 55.900 55.458 0.442
2675 6 . 1 1 74 74 Y CB C 74 41.600 41.949 -0.349
2676 6 . 1 1 74 74 Y H H 74 8.120 8.435 -0.315
2677 6 . 1 1 75 75 T N N 75 115.000 118.858 -3.858
2678 6 . 1 1 75 75 T HA H 75 4.590 4.962 -0.372
2679 6 . 1 1 75 75 T CA C 75 60.700 61.891 -1.191
2680 6 . 1 1 75 75 T CB C 75 71.700 69.855 1.845
2681 6 . 1 1 75 75 T H H 75 8.810 8.685 0.125
2682 6 . 1 1 76 76 I N N 76 124.400 127.232 -2.832
2683 6 . 1 1 76 76 I HA H 76 4.800 5.276 -0.476
2684 6 . 1 1 76 76 I C C 76 175.300 174.529 0.771
2685 6 . 1 1 76 76 I CA C 76 59.900 59.447 0.453
2686 6 . 1 1 76 76 I CB C 76 39.500 40.643 -1.143
2687 6 . 1 1 76 76 I H H 76 8.650 9.161 -0.511
2688 6 . 1 1 77 77 R N N 77 125.900 124.636 1.264
2689 6 . 1 1 77 77 R HA H 77 4.570 5.066 -0.496
2690 6 . 1 1 77 77 R CA C 77 55.100 53.925 1.175
2691 6 . 1 1 77 77 R CB C 77 32.500 34.986 -2.486
2692 6 . 1 1 77 77 R H H 77 8.680 9.172 -0.492
2693 6 . 1 1 78 78 L N N 78 124.400 115.959 8.441
2694 6 . 1 1 78 78 L HA H 78 4.320 4.816 -0.496
2695 6 . 1 1 78 78 L C C 78 177.000 175.073 1.927
2696 6 . 1 1 78 78 L CA C 78 55.200 53.798 1.402
2697 6 . 1 1 78 78 L CB C 78 42.200 44.688 -2.488
2698 6 . 1 1 78 78 L H H 78 8.500 8.832 -0.332
2699 6 . 1 1 79 79 E N N 79 121.300 120.074 1.226
2700 6 . 1 1 79 79 E HA H 79 4.150 4.494 -0.344
2701 6 . 1 1 79 79 E C C 79 173.700 175.483 -1.783
2702 6 . 1 1 79 79 E CA C 79 55.400 56.139 -0.739
2703 6 . 1 1 79 79 E CB C 79 30.100 28.465 1.635
2704 6 . 1 1 79 79 E H H 79 8.310 8.452 -0.142
2705 6 . 1 1 80 80 H N N 80 125.300 125.916 -0.616
2706 6 . 1 1 80 80 H HA H 80 4.580 4.511 0.069
2707 6 . 1 1 80 80 H CA C 80 57.100 56.081 1.019
2708 6 . 1 1 80 80 H CB C 80 30.300 29.902 0.398
2709 6 . 1 1 80 80 H H H 80 8.090 8.580 -0.490
2710 7 . 1 1 2 2 E N N 2 121.100 125.273 -4.173
2711 7 . 1 1 2 2 E HA H 2 5.260 5.142 0.118
2712 7 . 1 1 2 2 E C C 2 174.300 174.919 -0.619
2713 7 . 1 1 2 2 E CA C 2 54.300 54.711 -0.411
2714 7 . 1 1 2 2 E CB C 2 32.400 33.551 -1.151
2715 7 . 1 1 2 2 E H H 2 8.720 8.881 -0.161
2716 7 . 1 1 3 3 M N N 3 122.600 119.467 3.133
2717 7 . 1 1 3 3 M HA H 3 5.120 5.293 -0.173
2718 7 . 1 1 3 3 M C C 3 172.600 174.481 -1.881
2719 7 . 1 1 3 3 M CA C 3 54.600 54.075 0.525
2720 7 . 1 1 3 3 M CB C 3 37.000 34.738 2.262
2721 7 . 1 1 3 3 M H H 3 8.990 8.866 0.124
2722 7 . 1 1 4 4 D N N 4 126.300 123.183 3.117
2723 7 . 1 1 4 4 D HA H 4 5.650 5.512 0.138
2724 7 . 1 1 4 4 D C C 4 175.000 174.896 0.104
2725 7 . 1 1 4 4 D CA C 4 52.600 52.848 -0.248
2726 7 . 1 1 4 4 D CB C 4 41.800 42.217 -0.417
2727 7 . 1 1 4 4 D H H 4 8.810 8.916 -0.106
2728 7 . 1 1 5 5 I N N 5 124.600 126.173 -1.573
2729 7 . 1 1 5 5 I HA H 5 4.470 4.671 -0.201
2730 7 . 1 1 5 5 I C C 5 173.600 174.154 -0.554
2731 7 . 1 1 5 5 I CA C 5 60.500 60.523 -0.023
2732 7 . 1 1 5 5 I CB C 5 41.100 39.345 1.755
2733 7 . 1 1 5 5 I H H 5 9.520 9.534 -0.014
2734 7 . 1 1 6 6 R N N 6 127.500 128.923 -1.423
2735 7 . 1 1 6 6 R HA H 6 5.410 5.159 0.251
2736 7 . 1 1 6 6 R C C 6 175.300 174.949 0.351
2737 7 . 1 1 6 6 R CA C 6 54.400 54.490 -0.090
2738 7 . 1 1 6 6 R CB C 6 32.500 31.688 0.812
2739 7 . 1 1 6 6 R H H 6 8.970 9.098 -0.128
2740 7 . 1 1 7 7 F N N 7 125.400 126.711 -1.311
2741 7 . 1 1 7 7 F HA H 7 5.720 4.939 0.781
2742 7 . 1 1 7 7 F C C 7 174.800 175.073 -0.273
2743 7 . 1 1 7 7 F CA C 7 56.000 57.536 -1.536
2744 7 . 1 1 7 7 F CB C 7 42.300 40.947 1.353
2745 7 . 1 1 7 7 F H H 7 9.530 9.445 0.085
2746 7 . 1 1 8 8 R N N 8 121.100 121.603 -0.503
2747 7 . 1 1 8 8 R HA H 8 5.700 5.820 -0.120
2748 7 . 1 1 8 8 R C C 8 175.400 175.340 0.060
2749 7 . 1 1 8 8 R CA C 8 54.500 54.938 -0.438
2750 7 . 1 1 8 8 R CB C 8 33.800 33.725 0.075
2751 7 . 1 1 8 8 R H H 8 8.770 9.333 -0.563
2752 7 . 1 1 9 9 G N N 9 111.500 112.536 -1.036
2753 7 . 1 1 9 9 G C C 9 171.200 173.715 -2.515
2754 7 . 1 1 9 9 G CA C 9 45.200 45.510 -0.310
2755 7 . 1 1 9 9 G H H 9 8.630 8.385 0.245
2756 7 . 1 1 10 10 D N N 10 117.300 119.631 -2.331
2757 7 . 1 1 10 10 D HA H 10 4.710 4.705 0.005
2758 7 . 1 1 10 10 D C C 10 175.300 176.807 -1.507
2759 7 . 1 1 10 10 D CA C 10 53.400 55.940 -2.540
2760 7 . 1 1 10 10 D CB C 10 41.400 41.860 -0.460
2761 7 . 1 1 10 10 D H H 10 8.230 8.731 -0.501
2762 7 . 1 1 11 11 D N N 11 119.000 118.725 0.275
2763 7 . 1 1 11 11 D HA H 11 4.690 4.540 0.150
2764 7 . 1 1 11 11 D C C 11 175.500 176.410 -0.910
2765 7 . 1 1 11 11 D CA C 11 52.600 54.397 -1.797
2766 7 . 1 1 11 11 D CB C 11 41.500 41.158 0.342
2767 7 . 1 1 11 11 D H H 11 7.400 7.383 0.017
2768 7 . 1 1 12 12 L N N 12 125.800 127.861 -2.061
2769 7 . 1 1 12 12 L HA H 12 3.850 4.404 -0.554
2770 7 . 1 1 12 12 L C C 12 179.100 178.655 0.445
2771 7 . 1 1 12 12 L CA C 12 57.800 58.577 -0.777
2772 7 . 1 1 12 12 L CB C 12 41.700 41.128 0.572
2773 7 . 1 1 12 12 L H H 12 8.520 8.732 -0.212
2774 7 . 1 1 13 13 E N N 13 119.800 118.649 1.151
2775 7 . 1 1 13 13 E HA H 13 3.980 3.918 0.062
2776 7 . 1 1 13 13 E C C 13 178.600 178.808 -0.208
2777 7 . 1 1 13 13 E CA C 13 59.300 59.192 0.108
2778 7 . 1 1 13 13 E CB C 13 29.100 28.947 0.153
2779 7 . 1 1 13 13 E H H 13 8.140 8.314 -0.174
2780 7 . 1 1 14 14 A N N 14 122.200 122.128 0.072
2781 7 . 1 1 14 14 A HA H 14 3.380 2.611 0.769
2782 7 . 1 1 14 14 A C C 14 179.300 179.182 0.118
2783 7 . 1 1 14 14 A CA C 14 54.400 53.898 0.502
2784 7 . 1 1 14 14 A CB C 14 18.700 17.268 1.432
2785 7 . 1 1 14 14 A H H 14 7.460 7.436 0.024
2786 7 . 1 1 15 15 F N N 15 115.400 115.588 -0.188
2787 7 . 1 1 15 15 F HA H 15 3.850 4.073 -0.223
2788 7 . 1 1 15 15 F C C 15 177.000 178.452 -1.452
2789 7 . 1 1 15 15 F CA C 15 57.700 61.512 -3.812
2790 7 . 1 1 15 15 F CB C 15 37.500 38.255 -0.755
2791 7 . 1 1 15 15 F H H 15 7.380 7.167 0.213
2792 7 . 1 1 16 16 E N N 16 118.800 117.043 1.757
2793 7 . 1 1 16 16 E HA H 16 3.660 3.957 -0.297
2794 7 . 1 1 16 16 E C C 16 178.700 178.779 -0.079
2795 7 . 1 1 16 16 E CA C 16 59.800 59.165 0.635
2796 7 . 1 1 16 16 E CB C 16 29.100 29.292 -0.192
2797 7 . 1 1 16 16 E H H 16 7.990 7.849 0.141
2798 7 . 1 1 17 17 K N N 17 118.200 119.665 -1.465
2799 7 . 1 1 17 17 K HA H 17 3.780 3.991 -0.211
2800 7 . 1 1 17 17 K C C 17 179.000 178.871 0.129
2801 7 . 1 1 17 17 K CA C 17 59.600 59.264 0.336
2802 7 . 1 1 17 17 K CB C 17 32.400 32.280 0.120
2803 7 . 1 1 17 17 K H H 17 7.550 7.958 -0.408
2804 7 . 1 1 18 18 A N N 18 122.400 121.986 0.414
2805 7 . 1 1 18 18 A HA H 18 3.890 3.893 -0.003
2806 7 . 1 1 18 18 A C C 18 178.900 179.794 -0.894
2807 7 . 1 1 18 18 A CA C 18 54.800 54.858 -0.058
2808 7 . 1 1 18 18 A CB C 18 17.100 17.660 -0.560
2809 7 . 1 1 18 18 A H H 18 8.060 7.564 0.496
2810 7 . 1 1 19 19 L N N 19 118.700 119.352 -0.652
2811 7 . 1 1 19 19 L HA H 19 3.690 4.038 -0.348
2812 7 . 1 1 19 19 L C C 19 177.700 178.175 -0.475
2813 7 . 1 1 19 19 L CA C 19 57.900 57.498 0.402
2814 7 . 1 1 19 19 L CB C 19 41.700 41.685 0.015
2815 7 . 1 1 19 19 L H H 19 8.280 7.900 0.380
2816 7 . 1 1 20 20 K N N 20 116.600 118.785 -2.185
2817 7 . 1 1 20 20 K HA H 20 3.780 3.916 -0.136
2818 7 . 1 1 20 20 K C C 20 179.700 178.668 1.032
2819 7 . 1 1 20 20 K CA C 20 60.000 59.823 0.177
2820 7 . 1 1 20 20 K CB C 20 32.400 32.258 0.142
2821 7 . 1 1 20 20 K H H 20 7.760 8.176 -0.416
2822 7 . 1 1 21 21 E N N 21 118.700 118.902 -0.202
2823 7 . 1 1 21 21 E HA H 21 4.300 4.047 0.253
2824 7 . 1 1 21 21 E C C 21 178.500 179.277 -0.777
2825 7 . 1 1 21 21 E CA C 21 58.400 59.158 -0.758
2826 7 . 1 1 21 21 E CB C 21 29.100 29.249 -0.149
2827 7 . 1 1 21 21 E H H 21 7.750 8.171 -0.421
2828 7 . 1 1 22 22 M N N 22 119.100 119.228 -0.128
2829 7 . 1 1 22 22 M HA H 22 4.390 4.177 0.213
2830 7 . 1 1 22 22 M C C 22 178.800 178.766 0.034
2831 7 . 1 1 22 22 M CA C 22 57.300 58.610 -1.310
2832 7 . 1 1 22 22 M CB C 22 31.200 32.967 -1.767
2833 7 . 1 1 22 22 M H H 22 8.300 8.077 0.223
2834 7 . 1 1 23 23 I N N 23 120.200 119.375 0.825
2835 7 . 1 1 23 23 I HA H 23 3.550 3.680 -0.130
2836 7 . 1 1 23 23 I C C 23 177.600 177.921 -0.321
2837 7 . 1 1 23 23 I CA C 23 66.100 64.808 1.292
2838 7 . 1 1 23 23 I CB C 23 37.700 37.358 0.342
2839 7 . 1 1 23 23 I H H 23 8.460 8.018 0.442
2840 7 . 1 1 24 24 R N N 24 120.200 120.652 -0.452
2841 7 . 1 1 24 24 R HA H 24 3.890 3.908 -0.018
2842 7 . 1 1 24 24 R C C 24 179.400 178.919 0.481
2843 7 . 1 1 24 24 R CA C 24 59.900 59.937 -0.037
2844 7 . 1 1 24 24 R CB C 24 30.200 29.949 0.251
2845 7 . 1 1 24 24 R H H 24 7.720 8.172 -0.452
2846 7 . 1 1 25 25 Q N N 25 117.100 118.266 -1.166
2847 7 . 1 1 25 25 Q HA H 25 3.930 4.083 -0.153
2848 7 . 1 1 25 25 Q C C 25 177.600 178.586 -0.986
2849 7 . 1 1 25 25 Q CA C 25 58.000 58.691 -0.691
2850 7 . 1 1 25 25 Q CB C 25 27.800 28.470 -0.670
2851 7 . 1 1 25 25 Q H H 25 8.190 7.629 0.561
2852 7 . 1 1 26 26 A N N 26 120.300 122.673 -2.373
2853 7 . 1 1 26 26 A HA H 26 3.690 4.304 -0.614
2854 7 . 1 1 26 26 A C C 26 179.400 180.129 -0.729
2855 7 . 1 1 26 26 A CA C 26 54.200 55.236 -1.036
2856 7 . 1 1 26 26 A CB C 26 18.300 18.496 -0.196
2857 7 . 1 1 26 26 A H H 26 8.240 8.371 -0.131
2858 7 . 1 1 27 27 R N N 27 117.500 117.751 -0.251
2859 7 . 1 1 27 27 R HA H 27 4.070 4.120 -0.050
2860 7 . 1 1 27 27 R C C 27 178.900 178.350 0.550
2861 7 . 1 1 27 27 R CA C 27 58.500 59.447 -0.947
2862 7 . 1 1 27 27 R CB C 27 29.700 30.020 -0.320
2863 7 . 1 1 27 27 R H H 27 8.080 8.281 -0.201
2864 7 . 1 1 28 28 K N N 28 119.100 116.985 2.115
2865 7 . 1 1 28 28 K HA H 28 4.000 4.070 -0.070
2866 7 . 1 1 28 28 K C C 28 176.900 175.536 1.364
2867 7 . 1 1 28 28 K CA C 28 58.600 57.702 0.898
2868 7 . 1 1 28 28 K CB C 28 32.100 32.175 -0.075
2869 7 . 1 1 28 28 K H H 28 7.520 7.571 -0.051
2870 7 . 1 1 29 29 F N N 29 114.500 118.109 -3.609
2871 7 . 1 1 29 29 F HA H 29 4.930 4.947 -0.017
2872 7 . 1 1 29 29 F C C 29 173.600 174.906 -1.306
2873 7 . 1 1 29 29 F CA C 29 55.800 56.426 -0.626
2874 7 . 1 1 29 29 F CB C 29 39.000 40.777 -1.777
2875 7 . 1 1 29 29 F H H 29 7.010 8.061 -1.051
2876 7 . 1 1 30 30 A N N 30 121.600 128.120 -6.520
2877 7 . 1 1 30 30 A HA H 30 4.130 4.325 -0.195
2878 7 . 1 1 30 30 A C C 30 176.700 177.227 -0.527
2879 7 . 1 1 30 30 A CA C 30 52.900 52.259 0.641
2880 7 . 1 1 30 30 A CB C 30 17.000 18.203 -1.203
2881 7 . 1 1 30 30 A H H 30 7.830 8.669 -0.839
2882 7 . 1 1 31 31 G N N 31 105.400 109.350 -3.950
2883 7 . 1 1 31 31 G C C 31 173.100 172.005 1.095
2884 7 . 1 1 31 31 G CA C 31 45.100 45.903 -0.803
2885 7 . 1 1 31 31 G H H 31 7.950 8.379 -0.429
2886 7 . 1 1 32 32 T N N 32 115.700 115.036 0.664
2887 7 . 1 1 32 32 T HA H 32 4.580 5.021 -0.441
2888 7 . 1 1 32 32 T C C 32 173.100 173.366 -0.266
2889 7 . 1 1 32 32 T CA C 32 61.900 61.288 0.612
2890 7 . 1 1 32 32 T CB C 32 70.500 72.548 -2.048
2891 7 . 1 1 32 32 T H H 32 8.220 8.633 -0.413
2892 7 . 1 1 33 33 V N N 33 125.300 127.493 -2.193
2893 7 . 1 1 33 33 V HA H 33 5.150 5.163 -0.013
2894 7 . 1 1 33 33 V C C 33 175.300 174.628 0.672
2895 7 . 1 1 33 33 V CA C 33 60.800 60.442 0.358
2896 7 . 1 1 33 33 V CB C 33 34.300 34.175 0.125
2897 7 . 1 1 33 33 V H H 33 8.610 8.950 -0.340
2898 7 . 1 1 34 34 T N N 34 120.200 122.214 -2.014
2899 7 . 1 1 34 34 T HA H 34 4.670 5.286 -0.616
2900 7 . 1 1 34 34 T CA C 34 60.200 58.915 1.285
2901 7 . 1 1 34 34 T CB C 34 71.600 72.525 -0.925
2902 7 . 1 1 34 34 T H H 34 8.890 8.929 -0.039
2903 7 . 1 1 35 35 Y N N 35 118.100 120.839 -2.739
2904 7 . 1 1 35 35 Y HA H 35 5.720 6.085 -0.365
2905 7 . 1 1 35 35 Y C C 35 174.400 173.176 1.224
2906 7 . 1 1 35 35 Y CA C 35 56.200 55.668 0.532
2907 7 . 1 1 35 35 Y CB C 35 41.800 42.168 -0.368
2908 7 . 1 1 35 35 Y H H 35 8.360 8.746 -0.386
2909 7 . 1 1 36 36 T N N 36 115.200 116.876 -1.676
2910 7 . 1 1 36 36 T HA H 36 4.400 4.900 -0.500
2911 7 . 1 1 36 36 T CA C 36 60.200 61.686 -1.486
2912 7 . 1 1 36 36 T CB C 36 71.800 70.559 1.241
2913 7 . 1 1 36 36 T H H 36 9.020 9.281 -0.261
2914 7 . 1 1 37 37 L N N 37 129.300 127.827 1.473
2915 7 . 1 1 37 37 L HA H 37 5.020 4.967 0.053
2916 7 . 1 1 37 37 L C C 37 174.900 175.023 -0.123
2917 7 . 1 1 37 37 L CA C 37 54.400 53.439 0.961
2918 7 . 1 1 37 37 L CB C 37 43.800 42.538 1.262
2919 7 . 1 1 37 37 L H H 37 8.850 9.132 -0.282
2920 7 . 1 1 38 38 D N N 38 127.200 124.543 2.657
2921 7 . 1 1 38 38 D HA H 38 4.850 4.813 0.037
2922 7 . 1 1 38 38 D CA C 38 53.000 52.514 0.486
2923 7 . 1 1 38 38 D CB C 38 42.300 41.298 1.002
2924 7 . 1 1 38 38 D H H 38 8.740 8.661 0.079
2925 7 . 1 1 39 39 G N N 39 114.000 115.396 -1.396
2926 7 . 1 1 39 39 G C C 39 174.000 174.929 -0.929
2927 7 . 1 1 39 39 G CA C 39 47.400 47.270 0.130
2928 7 . 1 1 39 39 G H H 39 8.700 8.867 -0.167
2929 7 . 1 1 40 40 N N N 40 124.400 124.629 -0.229
2930 7 . 1 1 40 40 N HA H 40 5.070 5.028 0.042
2931 7 . 1 1 40 40 N C C 40 173.100 175.005 -1.905
2932 7 . 1 1 40 40 N CA C 40 53.200 53.553 -0.353
2933 7 . 1 1 40 40 N CB C 40 39.300 39.427 -0.127
2934 7 . 1 1 40 40 N H H 40 8.740 8.530 0.210
2935 7 . 1 1 41 41 D N N 41 118.500 118.429 0.071
2936 7 . 1 1 41 41 D HA H 41 5.410 5.545 -0.135
2937 7 . 1 1 41 41 D C C 41 173.600 175.719 -2.119
2938 7 . 1 1 41 41 D CA C 41 53.700 52.971 0.729
2939 7 . 1 1 41 41 D CB C 41 43.800 42.730 1.070
2940 7 . 1 1 41 41 D H H 41 7.980 8.135 -0.155
2941 7 . 1 1 42 42 L N N 42 125.100 124.240 0.860
2942 7 . 1 1 42 42 L HA H 42 4.960 5.090 -0.130
2943 7 . 1 1 42 42 L C C 42 173.600 174.639 -1.039
2944 7 . 1 1 42 42 L CA C 42 53.400 54.363 -0.963
2945 7 . 1 1 42 42 L CB C 42 43.700 44.825 -1.125
2946 7 . 1 1 42 42 L H H 42 8.520 8.994 -0.474
2947 7 . 1 1 43 43 E N N 43 127.800 127.727 0.073
2948 7 . 1 1 43 43 E HA H 43 5.280 4.698 0.582
2949 7 . 1 1 43 43 E C C 43 174.900 175.508 -0.608
2950 7 . 1 1 43 43 E CA C 43 54.500 55.770 -1.270
2951 7 . 1 1 43 43 E CB C 43 32.000 30.708 1.292
2952 7 . 1 1 43 43 E H H 43 8.990 9.268 -0.278
2953 7 . 1 1 44 44 I N N 44 126.300 128.811 -2.511
2954 7 . 1 1 44 44 I HA H 44 4.760 4.755 0.005
2955 7 . 1 1 44 44 I C C 44 173.800 174.965 -1.165
2956 7 . 1 1 44 44 I CA C 44 60.000 60.517 -0.517
2957 7 . 1 1 44 44 I CB C 44 41.200 38.315 2.885
2958 7 . 1 1 44 44 I H H 44 9.590 9.451 0.139
2959 7 . 1 1 45 45 R N N 45 127.800 127.479 0.321
2960 7 . 1 1 45 45 R HA H 45 5.250 4.773 0.477
2961 7 . 1 1 45 45 R C C 45 175.300 174.896 0.404
2962 7 . 1 1 45 45 R CA C 45 55.000 55.526 -0.526
2963 7 . 1 1 45 45 R CB C 45 31.700 30.762 0.938
2964 7 . 1 1 45 45 R H H 45 9.130 9.430 -0.300
2965 7 . 1 1 46 46 I N N 46 125.800 126.247 -0.447
2966 7 . 1 1 46 46 I HA H 46 5.150 4.839 0.311
2967 7 . 1 1 46 46 I C C 46 175.600 175.272 0.328
2968 7 . 1 1 46 46 I CA C 46 60.100 60.225 -0.125
2969 7 . 1 1 46 46 I CB C 46 39.900 38.462 1.438
2970 7 . 1 1 46 46 I H H 46 9.180 9.013 0.167
2971 7 . 1 1 47 47 T N N 47 118.800 121.799 -2.999
2972 7 . 1 1 47 47 T HA H 47 5.010 4.827 0.183
2973 7 . 1 1 47 47 T C C 47 174.300 174.928 -0.628
2974 7 . 1 1 47 47 T CA C 47 60.100 61.181 -1.081
2975 7 . 1 1 47 47 T CB C 47 70.900 71.465 -0.565
2976 7 . 1 1 47 47 T H H 47 9.020 8.807 0.213
2977 7 . 1 1 48 48 G N N 48 109.000 114.441 -5.441
2978 7 . 1 1 48 48 G C C 48 174.700 173.692 1.008
2979 7 . 1 1 48 48 G CA C 48 46.200 46.866 -0.666
2980 7 . 1 1 48 48 G H H 48 8.350 8.768 -0.418
2981 7 . 1 1 49 49 V N N 49 114.200 113.101 1.099
2982 7 . 1 1 49 49 V HA H 49 4.260 4.801 -0.541
2983 7 . 1 1 49 49 V CA C 49 58.200 57.972 0.228
2984 7 . 1 1 49 49 V CB C 49 32.500 33.966 -1.466
2985 7 . 1 1 49 49 V H H 49 7.760 7.532 0.228
2986 7 . 1 1 50 50 P HA H 50 4.580 4.690 -0.110
2987 7 . 1 1 50 50 P C C 50 177.200 177.763 -0.563
2988 7 . 1 1 50 50 P CA C 50 61.800 62.598 -0.798
2989 7 . 1 1 50 50 P CB C 50 32.500 32.224 0.276
2990 7 . 1 1 51 51 E N N 51 123.400 124.378 -0.978
2991 7 . 1 1 51 51 E HA H 51 4.000 3.817 0.183
2992 7 . 1 1 51 51 E C C 51 178.500 178.390 0.110
2993 7 . 1 1 51 51 E CA C 51 59.500 59.545 -0.045
2994 7 . 1 1 51 51 E CB C 51 29.300 29.667 -0.367
2995 7 . 1 1 51 51 E H H 51 8.890 8.937 -0.047
2996 7 . 1 1 52 52 Q N N 52 115.200 116.946 -1.746
2997 7 . 1 1 52 52 Q HA H 52 4.100 4.078 0.022
2998 7 . 1 1 52 52 Q C C 52 177.300 177.480 -0.180
2999 7 . 1 1 52 52 Q CA C 52 58.600 58.230 0.370
3000 7 . 1 1 52 52 Q CB C 52 27.700 28.102 -0.402
3001 7 . 1 1 52 52 Q H H 52 8.910 8.443 0.467
3002 7 . 1 1 53 53 V N N 53 114.900 120.118 -5.218
3003 7 . 1 1 53 53 V HA H 53 4.120 3.764 0.356
3004 7 . 1 1 53 53 V C C 53 176.100 177.439 -1.339
3005 7 . 1 1 53 53 V CA C 53 62.100 65.703 -3.603
3006 7 . 1 1 53 53 V CB C 53 31.900 31.215 0.685
3007 7 . 1 1 53 53 V H H 53 7.080 7.379 -0.299
3008 7 . 1 1 54 54 R N N 54 121.500 120.356 1.144
3009 7 . 1 1 54 54 R HA H 54 3.620 3.865 -0.245
3010 7 . 1 1 54 54 R C C 54 177.100 178.629 -1.529
3011 7 . 1 1 54 54 R CA C 54 60.400 59.337 1.063
3012 7 . 1 1 54 54 R CB C 54 29.700 29.844 -0.144
3013 7 . 1 1 54 54 R H H 54 7.510 8.168 -0.658
3014 7 . 1 1 55 55 K N N 55 116.800 117.980 -1.180
3015 7 . 1 1 55 55 K HA H 55 3.890 4.010 -0.120
3016 7 . 1 1 55 55 K C C 55 176.000 179.249 -3.249
3017 7 . 1 1 55 55 K CA C 55 59.600 60.001 -0.401
3018 7 . 1 1 55 55 K CB C 55 31.800 32.231 -0.431
3019 7 . 1 1 55 55 K H H 55 8.170 7.745 0.425
3020 7 . 1 1 56 56 E N N 56 120.200 119.646 0.554
3021 7 . 1 1 56 56 E HA H 56 4.050 4.065 -0.015
3022 7 . 1 1 56 56 E CA C 56 59.100 59.267 -0.167
3023 7 . 1 1 56 56 E CB C 56 29.200 29.111 0.089
3024 7 . 1 1 56 56 E H H 56 7.600 7.794 -0.194
3025 7 . 1 1 57 57 L N N 57 120.200 120.736 -0.536
3026 7 . 1 1 57 57 L HA H 57 3.970 4.036 -0.066
3027 7 . 1 1 57 57 L C C 57 178.300 179.360 -1.060
3028 7 . 1 1 57 57 L CA C 57 57.700 57.735 -0.035
3029 7 . 1 1 57 57 L CB C 57 42.000 40.835 1.165
3030 7 . 1 1 57 57 L H H 57 7.980 8.144 -0.164
3031 7 . 1 1 58 58 A N N 58 120.600 122.067 -1.467
3032 7 . 1 1 58 58 A HA H 58 3.400 3.630 -0.230
3033 7 . 1 1 58 58 A C C 58 178.600 179.432 -0.832
3034 7 . 1 1 58 58 A CA C 58 55.200 54.950 0.250
3035 7 . 1 1 58 58 A CB C 58 17.600 17.762 -0.162
3036 7 . 1 1 58 58 A H H 58 7.820 7.981 -0.161
3037 7 . 1 1 59 59 K N N 59 116.600 118.188 -1.588
3038 7 . 1 1 59 59 K HA H 59 3.990 3.989 0.001
3039 7 . 1 1 59 59 K C C 59 179.900 178.813 1.087
3040 7 . 1 1 59 59 K CA C 59 59.400 59.228 0.172
3041 7 . 1 1 59 59 K CB C 59 32.000 31.827 0.173
3042 7 . 1 1 59 59 K H H 59 7.630 7.357 0.273
3043 7 . 1 1 60 60 E N N 60 120.700 119.282 1.418
3044 7 . 1 1 60 60 E HA H 60 4.390 4.064 0.326
3045 7 . 1 1 60 60 E C C 60 178.100 179.224 -1.124
3046 7 . 1 1 60 60 E CA C 60 58.100 59.539 -1.439
3047 7 . 1 1 60 60 E CB C 60 28.800 29.335 -0.535
3048 7 . 1 1 60 60 E H H 60 7.950 8.766 -0.816
3049 7 . 1 1 61 61 A N N 61 122.400 122.608 -0.208
3050 7 . 1 1 61 61 A HA H 61 4.160 4.382 -0.222
3051 7 . 1 1 61 61 A C C 61 179.100 180.103 -1.003
3052 7 . 1 1 61 61 A CA C 61 56.000 55.055 0.945
3053 7 . 1 1 61 61 A CB C 61 17.300 18.236 -0.936
3054 7 . 1 1 61 61 A H H 61 8.300 7.818 0.482
3055 7 . 1 1 62 62 E N N 62 115.600 117.925 -2.325
3056 7 . 1 1 62 62 E HA H 62 4.040 4.050 -0.010
3057 7 . 1 1 62 62 E C C 62 179.200 179.133 0.067
3058 7 . 1 1 62 62 E CA C 62 59.200 59.579 -0.379
3059 7 . 1 1 62 62 E CB C 62 29.300 29.503 -0.203
3060 7 . 1 1 62 62 E H H 62 8.100 8.120 -0.020
3061 7 . 1 1 63 63 R N N 63 122.800 119.571 3.229
3062 7 . 1 1 63 63 R HA H 63 4.040 4.179 -0.139
3063 7 . 1 1 63 63 R C C 63 179.100 179.394 -0.294
3064 7 . 1 1 63 63 R CA C 63 59.600 59.379 0.221
3065 7 . 1 1 63 63 R CB C 63 29.800 30.061 -0.261
3066 7 . 1 1 63 63 R H H 63 8.250 7.828 0.422
3067 7 . 1 1 64 64 L N N 64 120.800 120.950 -0.150
3068 7 . 1 1 64 64 L HA H 64 3.870 4.061 -0.191
3069 7 . 1 1 64 64 L C C 64 178.200 178.974 -0.774
3070 7 . 1 1 64 64 L CA C 64 57.500 57.931 -0.431
3071 7 . 1 1 64 64 L CB C 64 42.300 41.137 1.163
3072 7 . 1 1 64 64 L H H 64 8.460 8.563 -0.103
3073 7 . 1 1 65 65 A N N 65 120.200 122.029 -1.829
3074 7 . 1 1 65 65 A HA H 65 4.050 4.170 -0.120
3075 7 . 1 1 65 65 A C C 65 179.500 179.964 -0.464
3076 7 . 1 1 65 65 A CA C 65 55.200 55.844 -0.644
3077 7 . 1 1 65 65 A CB C 65 17.900 18.750 -0.850
3078 7 . 1 1 65 65 A H H 65 8.190 8.558 -0.368
3079 7 . 1 1 66 66 K N N 66 116.500 117.483 -0.983
3080 7 . 1 1 66 66 K HA H 66 4.190 4.060 0.130
3081 7 . 1 1 66 66 K C C 66 178.800 179.001 -0.201
3082 7 . 1 1 66 66 K CA C 66 58.900 59.279 -0.379
3083 7 . 1 1 66 66 K CB C 66 32.300 32.168 0.132
3084 7 . 1 1 66 66 K H H 66 7.700 7.948 -0.248
3085 7 . 1 1 67 67 E N N 67 120.200 119.711 0.489
3086 7 . 1 1 67 67 E HA H 67 3.840 4.031 -0.191
3087 7 . 1 1 67 67 E C C 67 178.000 178.062 -0.062
3088 7 . 1 1 67 67 E CA C 67 59.100 59.389 -0.289
3089 7 . 1 1 67 67 E CB C 67 29.300 29.713 -0.413
3090 7 . 1 1 67 67 E H H 67 8.270 8.103 0.167
3091 7 . 1 1 68 68 F N N 68 113.400 114.817 -1.417
3092 7 . 1 1 68 68 F HA H 68 4.760 4.569 0.191
3093 7 . 1 1 68 68 F C C 68 174.400 174.422 -0.022
3094 7 . 1 1 68 68 F CA C 68 56.300 57.345 -1.045
3095 7 . 1 1 68 68 F CB C 68 39.400 38.860 0.540
3096 7 . 1 1 68 68 F H H 68 7.800 7.414 0.386
3097 7 . 1 1 69 69 N N N 69 118.200 113.464 4.736
3098 7 . 1 1 69 69 N HA H 69 4.510 4.356 0.154
3099 7 . 1 1 69 69 N CA C 69 54.200 54.540 -0.340
3100 7 . 1 1 69 69 N CB C 69 37.000 37.223 -0.223
3101 7 . 1 1 69 69 N H H 69 7.950 8.191 -0.241
3102 7 . 1 1 70 70 I N N 70 113.900 115.585 -1.685
3103 7 . 1 1 70 70 I HA H 70 4.950 4.437 0.513
3104 7 . 1 1 70 70 I CA C 70 59.800 59.320 0.480
3105 7 . 1 1 70 70 I CB C 70 40.000 39.704 0.296
3106 7 . 1 1 70 70 I H H 70 8.480 7.861 0.619
3107 7 . 1 1 71 71 T N N 71 113.600 117.808 -4.208
3108 7 . 1 1 71 71 T HA H 71 4.820 5.010 -0.190
3109 7 . 1 1 71 71 T C C 71 173.500 173.749 -0.249
3110 7 . 1 1 71 71 T CA C 71 61.500 61.871 -0.371
3111 7 . 1 1 71 71 T CB C 71 71.200 71.050 0.150
3112 7 . 1 1 71 71 T H H 71 8.520 8.659 -0.139
3113 7 . 1 1 72 72 V N N 72 122.600 121.873 0.727
3114 7 . 1 1 72 72 V HA H 72 5.330 4.810 0.520
3115 7 . 1 1 72 72 V C C 72 173.200 173.899 -0.699
3116 7 . 1 1 72 72 V CA C 72 59.200 60.387 -1.187
3117 7 . 1 1 72 72 V CB C 72 35.800 35.168 0.632
3118 7 . 1 1 72 72 V H H 72 8.720 8.677 0.043
3119 7 . 1 1 73 73 T N N 73 119.300 119.968 -0.668
3120 7 . 1 1 73 73 T HA H 73 4.410 5.244 -0.834
3121 7 . 1 1 73 73 T CA C 73 60.100 60.274 -0.174
3122 7 . 1 1 73 73 T CB C 73 71.800 71.364 0.436
3123 7 . 1 1 73 73 T H H 73 8.430 8.963 -0.533
3124 7 . 1 1 74 74 Y N N 74 118.100 119.121 -1.021
3125 7 . 1 1 74 74 Y HA H 74 5.530 5.791 -0.261
3126 7 . 1 1 74 74 Y CA C 74 55.900 55.385 0.515
3127 7 . 1 1 74 74 Y CB C 74 41.600 41.878 -0.278
3128 7 . 1 1 74 74 Y H H 74 8.120 8.466 -0.346
3129 7 . 1 1 75 75 T N N 75 115.000 115.159 -0.159
3130 7 . 1 1 75 75 T HA H 75 4.590 5.141 -0.551
3131 7 . 1 1 75 75 T CA C 75 60.700 61.503 -0.803
3132 7 . 1 1 75 75 T CB C 75 71.700 70.942 0.758
3133 7 . 1 1 75 75 T H H 75 8.810 8.968 -0.158
3134 7 . 1 1 76 76 I N N 76 124.400 126.941 -2.541
3135 7 . 1 1 76 76 I HA H 76 4.800 4.720 0.080
3136 7 . 1 1 76 76 I C C 76 175.300 175.524 -0.224
3137 7 . 1 1 76 76 I CA C 76 59.900 60.684 -0.784
3138 7 . 1 1 76 76 I CB C 76 39.500 40.005 -0.505
3139 7 . 1 1 76 76 I H H 76 8.650 9.078 -0.428
3140 7 . 1 1 77 77 R N N 77 125.900 126.725 -0.825
3141 7 . 1 1 77 77 R HA H 77 4.570 4.756 -0.186
3142 7 . 1 1 77 77 R CA C 77 55.100 55.622 -0.522
3143 7 . 1 1 77 77 R CB C 77 32.500 31.381 1.119
3144 7 . 1 1 77 77 R H H 77 8.680 8.645 0.035
3145 7 . 1 1 78 78 L N N 78 124.400 120.418 3.982
3146 7 . 1 1 78 78 L HA H 78 4.320 4.875 -0.555
3147 7 . 1 1 78 78 L C C 78 177.000 174.682 2.318
3148 7 . 1 1 78 78 L CA C 78 55.200 53.244 1.956
3149 7 . 1 1 78 78 L CB C 78 42.200 45.542 -3.342
3150 7 . 1 1 78 78 L H H 78 8.500 8.732 -0.232
3151 7 . 1 1 79 79 E N N 79 121.300 121.051 0.249
3152 7 . 1 1 79 79 E HA H 79 4.150 4.323 -0.173
3153 7 . 1 1 79 79 E C C 79 173.700 175.638 -1.938
3154 7 . 1 1 79 79 E CA C 79 55.400 55.383 0.017
3155 7 . 1 1 79 79 E CB C 79 30.100 30.875 -0.775
3156 7 . 1 1 79 79 E H H 79 8.310 8.417 -0.107
3157 7 . 1 1 80 80 H N N 80 125.300 123.176 2.124
3158 7 . 1 1 80 80 H HA H 80 4.580 4.543 0.037
3159 7 . 1 1 80 80 H CA C 80 57.100 55.433 1.667
3160 7 . 1 1 80 80 H CB C 80 30.300 28.860 1.440
3161 7 . 1 1 80 80 H H H 80 8.090 8.315 -0.225
3162 8 . 1 1 2 2 E N N 2 121.100 123.563 -2.463
3163 8 . 1 1 2 2 E HA H 2 5.260 5.019 0.241
3164 8 . 1 1 2 2 E C C 2 174.300 175.702 -1.402
3165 8 . 1 1 2 2 E CA C 2 54.300 55.332 -1.032
3166 8 . 1 1 2 2 E CB C 2 32.400 31.902 0.498
3167 8 . 1 1 2 2 E H H 2 8.720 8.660 0.060
3168 8 . 1 1 3 3 M N N 3 122.600 122.849 -0.249
3169 8 . 1 1 3 3 M HA H 3 5.120 4.904 0.216
3170 8 . 1 1 3 3 M C C 3 172.600 173.984 -1.384
3171 8 . 1 1 3 3 M CA C 3 54.600 54.554 0.046
3172 8 . 1 1 3 3 M CB C 3 37.000 35.243 1.757
3173 8 . 1 1 3 3 M H H 3 8.990 8.768 0.222
3174 8 . 1 1 4 4 D N N 4 126.300 126.201 0.099
3175 8 . 1 1 4 4 D HA H 4 5.650 5.201 0.449
3176 8 . 1 1 4 4 D C C 4 175.000 175.304 -0.304
3177 8 . 1 1 4 4 D CA C 4 52.600 53.718 -1.118
3178 8 . 1 1 4 4 D CB C 4 41.800 41.786 0.014
3179 8 . 1 1 4 4 D H H 4 8.810 9.223 -0.413
3180 8 . 1 1 5 5 I N N 5 124.600 125.527 -0.927
3181 8 . 1 1 5 5 I HA H 5 4.470 4.732 -0.262
3182 8 . 1 1 5 5 I C C 5 173.600 174.684 -1.084
3183 8 . 1 1 5 5 I CA C 5 60.500 60.493 0.007
3184 8 . 1 1 5 5 I CB C 5 41.100 39.920 1.180
3185 8 . 1 1 5 5 I H H 5 9.520 9.266 0.254
3186 8 . 1 1 6 6 R N N 6 127.500 126.500 1.000
3187 8 . 1 1 6 6 R HA H 6 5.410 5.532 -0.122
3188 8 . 1 1 6 6 R C C 6 175.300 175.098 0.202
3189 8 . 1 1 6 6 R CA C 6 54.400 54.894 -0.494
3190 8 . 1 1 6 6 R CB C 6 32.500 32.001 0.499
3191 8 . 1 1 6 6 R H H 6 8.970 8.502 0.468
3192 8 . 1 1 7 7 F N N 7 125.400 121.655 3.745
3193 8 . 1 1 7 7 F HA H 7 5.720 5.260 0.460
3194 8 . 1 1 7 7 F C C 7 174.800 174.382 0.418
3195 8 . 1 1 7 7 F CA C 7 56.000 56.653 -0.653
3196 8 . 1 1 7 7 F CB C 7 42.300 40.941 1.359
3197 8 . 1 1 7 7 F H H 7 9.530 9.123 0.407
3198 8 . 1 1 8 8 R N N 8 121.100 124.635 -3.535
3199 8 . 1 1 8 8 R HA H 8 5.700 5.480 0.220
3200 8 . 1 1 8 8 R C C 8 175.400 175.391 0.009
3201 8 . 1 1 8 8 R CA C 8 54.500 54.572 -0.072
3202 8 . 1 1 8 8 R CB C 8 33.800 33.242 0.558
3203 8 . 1 1 8 8 R H H 8 8.770 9.335 -0.565
3204 8 . 1 1 9 9 G N N 9 111.500 112.576 -1.076
3205 8 . 1 1 9 9 G C C 9 171.200 173.579 -2.379
3206 8 . 1 1 9 9 G CA C 9 45.200 45.931 -0.731
3207 8 . 1 1 9 9 G H H 9 8.630 8.519 0.111
3208 8 . 1 1 10 10 D N N 10 117.300 119.936 -2.636
3209 8 . 1 1 10 10 D HA H 10 4.710 4.635 0.075
3210 8 . 1 1 10 10 D C C 10 175.300 176.126 -0.826
3211 8 . 1 1 10 10 D CA C 10 53.400 54.289 -0.889
3212 8 . 1 1 10 10 D CB C 10 41.400 41.511 -0.111
3213 8 . 1 1 10 10 D H H 10 8.230 8.613 -0.383
3214 8 . 1 1 11 11 D N N 11 119.000 119.941 -0.941
3215 8 . 1 1 11 11 D HA H 11 4.690 4.584 0.106
3216 8 . 1 1 11 11 D C C 11 175.500 176.544 -1.044
3217 8 . 1 1 11 11 D CA C 11 52.600 54.300 -1.700
3218 8 . 1 1 11 11 D CB C 11 41.500 41.058 0.442
3219 8 . 1 1 11 11 D H H 11 7.400 7.426 -0.026
3220 8 . 1 1 12 12 L N N 12 125.800 128.032 -2.232
3221 8 . 1 1 12 12 L HA H 12 3.850 3.900 -0.050
3222 8 . 1 1 12 12 L C C 12 179.100 178.231 0.869
3223 8 . 1 1 12 12 L CA C 12 57.800 58.998 -1.198
3224 8 . 1 1 12 12 L CB C 12 41.700 41.694 0.006
3225 8 . 1 1 12 12 L H H 12 8.520 8.636 -0.116
3226 8 . 1 1 13 13 E N N 13 119.800 117.165 2.635
3227 8 . 1 1 13 13 E HA H 13 3.980 3.984 -0.004
3228 8 . 1 1 13 13 E C C 13 178.600 178.374 0.226
3229 8 . 1 1 13 13 E CA C 13 59.300 58.834 0.466
3230 8 . 1 1 13 13 E CB C 13 29.100 28.391 0.709
3231 8 . 1 1 13 13 E H H 13 8.140 8.482 -0.342
3232 8 . 1 1 14 14 A N N 14 122.200 122.526 -0.326
3233 8 . 1 1 14 14 A HA H 14 3.380 3.059 0.321
3234 8 . 1 1 14 14 A C C 14 179.300 178.821 0.479
3235 8 . 1 1 14 14 A CA C 14 54.400 54.250 0.150
3236 8 . 1 1 14 14 A CB C 14 18.700 17.367 1.333
3237 8 . 1 1 14 14 A H H 14 7.460 7.415 0.045
3238 8 . 1 1 15 15 F N N 15 115.400 120.019 -4.619
3239 8 . 1 1 15 15 F HA H 15 3.850 3.834 0.016
3240 8 . 1 1 15 15 F C C 15 177.000 176.756 0.244
3241 8 . 1 1 15 15 F CA C 15 57.700 61.182 -3.482
3242 8 . 1 1 15 15 F CB C 15 37.500 39.001 -1.501
3243 8 . 1 1 15 15 F H H 15 7.380 7.930 -0.550
3244 8 . 1 1 16 16 E N N 16 118.800 118.922 -0.122
3245 8 . 1 1 16 16 E HA H 16 3.660 3.778 -0.118
3246 8 . 1 1 16 16 E C C 16 178.700 178.468 0.232
3247 8 . 1 1 16 16 E CA C 16 59.800 59.366 0.434
3248 8 . 1 1 16 16 E CB C 16 29.100 28.935 0.165
3249 8 . 1 1 16 16 E H H 16 7.990 8.335 -0.345
3250 8 . 1 1 17 17 K N N 17 118.200 118.428 -0.228
3251 8 . 1 1 17 17 K HA H 17 3.780 3.926 -0.146
3252 8 . 1 1 17 17 K C C 17 179.000 178.650 0.350
3253 8 . 1 1 17 17 K CA C 17 59.600 59.410 0.190
3254 8 . 1 1 17 17 K CB C 17 32.400 32.357 0.043
3255 8 . 1 1 17 17 K H H 17 7.550 8.049 -0.499
3256 8 . 1 1 18 18 A N N 18 122.400 121.712 0.688
3257 8 . 1 1 18 18 A HA H 18 3.890 3.754 0.136
3258 8 . 1 1 18 18 A C C 18 178.900 179.360 -0.460
3259 8 . 1 1 18 18 A CA C 18 54.800 54.860 -0.060
3260 8 . 1 1 18 18 A CB C 18 17.100 17.953 -0.853
3261 8 . 1 1 18 18 A H H 18 8.060 7.381 0.679
3262 8 . 1 1 19 19 L N N 19 118.700 119.299 -0.599
3263 8 . 1 1 19 19 L HA H 19 3.690 3.888 -0.198
3264 8 . 1 1 19 19 L C C 19 177.700 178.339 -0.639
3265 8 . 1 1 19 19 L CA C 19 57.900 57.190 0.710
3266 8 . 1 1 19 19 L CB C 19 41.700 41.309 0.391
3267 8 . 1 1 19 19 L H H 19 8.280 7.336 0.944
3268 8 . 1 1 20 20 K N N 20 116.600 118.803 -2.203
3269 8 . 1 1 20 20 K HA H 20 3.780 3.838 -0.058
3270 8 . 1 1 20 20 K C C 20 179.700 178.809 0.891
3271 8 . 1 1 20 20 K CA C 20 60.000 59.562 0.438
3272 8 . 1 1 20 20 K CB C 20 32.400 32.004 0.396
3273 8 . 1 1 20 20 K H H 20 7.760 8.154 -0.394
3274 8 . 1 1 21 21 E N N 21 118.700 119.706 -1.006
3275 8 . 1 1 21 21 E HA H 21 4.300 4.066 0.234
3276 8 . 1 1 21 21 E C C 21 178.500 179.595 -1.095
3277 8 . 1 1 21 21 E CA C 21 58.400 59.515 -1.115
3278 8 . 1 1 21 21 E CB C 21 29.100 29.563 -0.463
3279 8 . 1 1 21 21 E H H 21 7.750 7.506 0.244
3280 8 . 1 1 22 22 M N N 22 119.100 119.231 -0.131
3281 8 . 1 1 22 22 M HA H 22 4.390 4.205 0.185
3282 8 . 1 1 22 22 M C C 22 178.800 178.847 -0.047
3283 8 . 1 1 22 22 M CA C 22 57.300 58.688 -1.388
3284 8 . 1 1 22 22 M CB C 22 31.200 32.877 -1.677
3285 8 . 1 1 22 22 M H H 22 8.300 7.991 0.309
3286 8 . 1 1 23 23 I N N 23 120.200 119.363 0.837
3287 8 . 1 1 23 23 I HA H 23 3.550 3.700 -0.150
3288 8 . 1 1 23 23 I C C 23 177.600 177.828 -0.228
3289 8 . 1 1 23 23 I CA C 23 66.100 64.369 1.731
3290 8 . 1 1 23 23 I CB C 23 37.700 37.112 0.588
3291 8 . 1 1 23 23 I H H 23 8.460 8.118 0.342
3292 8 . 1 1 24 24 R N N 24 120.200 120.519 -0.319
3293 8 . 1 1 24 24 R HA H 24 3.890 3.926 -0.036
3294 8 . 1 1 24 24 R C C 24 179.400 179.080 0.320
3295 8 . 1 1 24 24 R CA C 24 59.900 59.942 -0.042
3296 8 . 1 1 24 24 R CB C 24 30.200 30.026 0.174
3297 8 . 1 1 24 24 R H H 24 7.720 8.438 -0.718
3298 8 . 1 1 25 25 Q N N 25 117.100 118.329 -1.229
3299 8 . 1 1 25 25 Q HA H 25 3.930 4.067 -0.137
3300 8 . 1 1 25 25 Q C C 25 177.600 178.524 -0.924
3301 8 . 1 1 25 25 Q CA C 25 58.000 58.864 -0.864
3302 8 . 1 1 25 25 Q CB C 25 27.800 28.557 -0.757
3303 8 . 1 1 25 25 Q H H 25 8.190 8.218 -0.028
3304 8 . 1 1 26 26 A N N 26 120.300 122.812 -2.512
3305 8 . 1 1 26 26 A HA H 26 3.690 4.234 -0.544
3306 8 . 1 1 26 26 A C C 26 179.400 180.025 -0.625
3307 8 . 1 1 26 26 A CA C 26 54.200 55.229 -1.029
3308 8 . 1 1 26 26 A CB C 26 18.300 18.372 -0.072
3309 8 . 1 1 26 26 A H H 26 8.240 8.313 -0.073
3310 8 . 1 1 27 27 R N N 27 117.500 117.748 -0.248
3311 8 . 1 1 27 27 R HA H 27 4.070 4.113 -0.043
3312 8 . 1 1 27 27 R C C 27 178.900 178.366 0.534
3313 8 . 1 1 27 27 R CA C 27 58.500 59.406 -0.906
3314 8 . 1 1 27 27 R CB C 27 29.700 29.822 -0.122
3315 8 . 1 1 27 27 R H H 27 8.080 8.328 -0.248
3316 8 . 1 1 28 28 K N N 28 119.100 117.218 1.882
3317 8 . 1 1 28 28 K HA H 28 4.000 4.083 -0.083
3318 8 . 1 1 28 28 K C C 28 176.900 175.660 1.240
3319 8 . 1 1 28 28 K CA C 28 58.600 57.747 0.853
3320 8 . 1 1 28 28 K CB C 28 32.100 32.458 -0.358
3321 8 . 1 1 28 28 K H H 28 7.520 7.510 0.010
3322 8 . 1 1 29 29 F N N 29 114.500 117.942 -3.442
3323 8 . 1 1 29 29 F HA H 29 4.930 4.915 0.015
3324 8 . 1 1 29 29 F C C 29 173.600 175.357 -1.757
3325 8 . 1 1 29 29 F CA C 29 55.800 56.603 -0.803
3326 8 . 1 1 29 29 F CB C 29 39.000 42.946 -3.946
3327 8 . 1 1 29 29 F H H 29 7.010 7.931 -0.921
3328 8 . 1 1 30 30 A N N 30 121.600 122.099 -0.499
3329 8 . 1 1 30 30 A HA H 30 4.130 4.611 -0.481
3330 8 . 1 1 30 30 A C C 30 176.700 177.440 -0.740
3331 8 . 1 1 30 30 A CA C 30 52.900 51.532 1.368
3332 8 . 1 1 30 30 A CB C 30 17.000 18.842 -1.842
3333 8 . 1 1 30 30 A H H 30 7.830 8.458 -0.628
3334 8 . 1 1 31 31 G N N 31 105.400 107.015 -1.615
3335 8 . 1 1 31 31 G C C 31 173.100 173.047 0.053
3336 8 . 1 1 31 31 G CA C 31 45.100 45.469 -0.369
3337 8 . 1 1 31 31 G H H 31 7.950 7.700 0.250
3338 8 . 1 1 32 32 T N N 32 115.700 120.470 -4.770
3339 8 . 1 1 32 32 T HA H 32 4.580 4.790 -0.210
3340 8 . 1 1 32 32 T C C 32 173.100 174.173 -1.073
3341 8 . 1 1 32 32 T CA C 32 61.900 63.354 -1.454
3342 8 . 1 1 32 32 T CB C 32 70.500 69.141 1.359
3343 8 . 1 1 32 32 T H H 32 8.220 9.183 -0.963
3344 8 . 1 1 33 33 V N N 33 125.300 128.291 -2.991
3345 8 . 1 1 33 33 V HA H 33 5.150 4.884 0.266
3346 8 . 1 1 33 33 V C C 33 175.300 175.169 0.131
3347 8 . 1 1 33 33 V CA C 33 60.800 61.379 -0.579
3348 8 . 1 1 33 33 V CB C 33 34.300 33.385 0.915
3349 8 . 1 1 33 33 V H H 33 8.610 9.018 -0.408
3350 8 . 1 1 34 34 T N N 34 120.200 120.515 -0.315
3351 8 . 1 1 34 34 T HA H 34 4.670 4.785 -0.115
3352 8 . 1 1 34 34 T CA C 34 60.200 60.588 -0.388
3353 8 . 1 1 34 34 T CB C 34 71.600 69.951 1.649
3354 8 . 1 1 34 34 T H H 34 8.890 9.093 -0.203
3355 8 . 1 1 35 35 Y N N 35 118.100 119.685 -1.585
3356 8 . 1 1 35 35 Y HA H 35 5.720 5.753 -0.033
3357 8 . 1 1 35 35 Y C C 35 174.400 172.397 2.003
3358 8 . 1 1 35 35 Y CA C 35 56.200 56.180 0.020
3359 8 . 1 1 35 35 Y CB C 35 41.800 41.322 0.478
3360 8 . 1 1 35 35 Y H H 35 8.360 8.511 -0.151
3361 8 . 1 1 36 36 T N N 36 115.200 115.646 -0.446
3362 8 . 1 1 36 36 T HA H 36 4.400 5.163 -0.763
3363 8 . 1 1 36 36 T CA C 36 60.200 59.762 0.438
3364 8 . 1 1 36 36 T CB C 36 71.800 71.353 0.447
3365 8 . 1 1 36 36 T H H 36 9.020 8.941 0.079
3366 8 . 1 1 37 37 L N N 37 129.300 129.260 0.040
3367 8 . 1 1 37 37 L HA H 37 5.020 5.195 -0.175
3368 8 . 1 1 37 37 L C C 37 174.900 175.692 -0.792
3369 8 . 1 1 37 37 L CA C 37 54.400 53.546 0.854
3370 8 . 1 1 37 37 L CB C 37 43.800 43.946 -0.146
3371 8 . 1 1 37 37 L H H 37 8.850 8.987 -0.137
3372 8 . 1 1 38 38 D N N 38 127.200 124.436 2.764
3373 8 . 1 1 38 38 D HA H 38 4.850 4.867 -0.017
3374 8 . 1 1 38 38 D CA C 38 53.000 52.653 0.347
3375 8 . 1 1 38 38 D CB C 38 42.300 41.391 0.909
3376 8 . 1 1 38 38 D H H 38 8.740 8.921 -0.181
3377 8 . 1 1 39 39 G N N 39 114.000 115.622 -1.622
3378 8 . 1 1 39 39 G C C 39 174.000 174.685 -0.685
3379 8 . 1 1 39 39 G CA C 39 47.400 47.293 0.107
3380 8 . 1 1 39 39 G H H 39 8.700 8.965 -0.265
3381 8 . 1 1 40 40 N N N 40 124.400 124.232 0.168
3382 8 . 1 1 40 40 N HA H 40 5.070 4.819 0.251
3383 8 . 1 1 40 40 N C C 40 173.100 174.373 -1.273
3384 8 . 1 1 40 40 N CA C 40 53.200 52.379 0.821
3385 8 . 1 1 40 40 N CB C 40 39.300 38.632 0.668
3386 8 . 1 1 40 40 N H H 40 8.740 8.668 0.072
3387 8 . 1 1 41 41 D N N 41 118.500 121.928 -3.428
3388 8 . 1 1 41 41 D HA H 41 5.410 5.140 0.270
3389 8 . 1 1 41 41 D C C 41 173.600 174.677 -1.077
3390 8 . 1 1 41 41 D CA C 41 53.700 53.287 0.413
3391 8 . 1 1 41 41 D CB C 41 43.800 43.897 -0.097
3392 8 . 1 1 41 41 D H H 41 7.980 7.790 0.190
3393 8 . 1 1 42 42 L N N 42 125.100 127.789 -2.689
3394 8 . 1 1 42 42 L HA H 42 4.960 5.090 -0.130
3395 8 . 1 1 42 42 L C C 42 173.600 174.912 -1.312
3396 8 . 1 1 42 42 L CA C 42 53.400 53.711 -0.311
3397 8 . 1 1 42 42 L CB C 42 43.700 44.129 -0.429
3398 8 . 1 1 42 42 L H H 42 8.520 9.142 -0.622
3399 8 . 1 1 43 43 E N N 43 127.800 127.595 0.205
3400 8 . 1 1 43 43 E HA H 43 5.280 4.743 0.537
3401 8 . 1 1 43 43 E C C 43 174.900 175.426 -0.526
3402 8 . 1 1 43 43 E CA C 43 54.500 55.809 -1.309
3403 8 . 1 1 43 43 E CB C 43 32.000 30.679 1.321
3404 8 . 1 1 43 43 E H H 43 8.990 8.929 0.061
3405 8 . 1 1 44 44 I N N 44 126.300 129.052 -2.752
3406 8 . 1 1 44 44 I HA H 44 4.760 4.789 -0.029
3407 8 . 1 1 44 44 I C C 44 173.800 174.537 -0.737
3408 8 . 1 1 44 44 I CA C 44 60.000 60.461 -0.461
3409 8 . 1 1 44 44 I CB C 44 41.200 38.451 2.749
3410 8 . 1 1 44 44 I H H 44 9.590 9.229 0.361
3411 8 . 1 1 45 45 R N N 45 127.800 128.657 -0.857
3412 8 . 1 1 45 45 R HA H 45 5.250 4.991 0.259
3413 8 . 1 1 45 45 R C C 45 175.300 175.032 0.268
3414 8 . 1 1 45 45 R CA C 45 55.000 55.204 -0.204
3415 8 . 1 1 45 45 R CB C 45 31.700 31.776 -0.076
3416 8 . 1 1 45 45 R H H 45 9.130 9.341 -0.211
3417 8 . 1 1 46 46 I N N 46 125.800 128.573 -2.773
3418 8 . 1 1 46 46 I HA H 46 5.150 4.940 0.210
3419 8 . 1 1 46 46 I C C 46 175.600 174.846 0.754
3420 8 . 1 1 46 46 I CB C 46 39.900 40.216 -0.316
3421 8 . 1 1 46 46 I H H 46 9.180 9.074 0.106
3422 8 . 1 1 47 47 T N N 47 118.800 121.256 -2.456
3423 8 . 1 1 47 47 T HA H 47 5.010 4.839 0.171
3424 8 . 1 1 47 47 T C C 47 174.300 175.463 -1.163
3425 8 . 1 1 47 47 T CA C 47 60.100 60.564 -0.464
3426 8 . 1 1 47 47 T CB C 47 70.900 71.120 -0.220
3427 8 . 1 1 47 47 T H H 47 9.020 8.949 0.071
3428 8 . 1 1 48 48 G N N 48 109.000 114.514 -5.514
3429 8 . 1 1 48 48 G C C 48 174.700 174.686 0.014
3430 8 . 1 1 48 48 G CA C 48 46.200 45.042 1.158
3431 8 . 1 1 48 48 G H H 48 8.350 8.760 -0.410
3432 8 . 1 1 49 49 V N N 49 114.200 119.356 -5.156
3433 8 . 1 1 49 49 V HA H 49 4.260 3.983 0.277
3434 8 . 1 1 49 49 V CA C 49 58.200 60.702 -2.502
3435 8 . 1 1 49 49 V CB C 49 32.500 31.238 1.262
3436 8 . 1 1 49 49 V H H 49 7.760 7.683 0.077
3437 8 . 1 1 50 50 P HA H 50 4.580 4.518 0.062
3438 8 . 1 1 50 50 P C C 50 177.200 177.606 -0.406
3439 8 . 1 1 50 50 P CA C 50 61.800 62.546 -0.746
3440 8 . 1 1 50 50 P CB C 50 32.500 32.471 0.029
3441 8 . 1 1 51 51 E N N 51 123.400 123.836 -0.436
3442 8 . 1 1 51 51 E HA H 51 4.000 3.889 0.111
3443 8 . 1 1 51 51 E C C 51 178.500 178.317 0.183
3444 8 . 1 1 51 51 E CA C 51 59.500 59.674 -0.174
3445 8 . 1 1 51 51 E CB C 51 29.300 29.594 -0.294
3446 8 . 1 1 51 51 E H H 51 8.890 8.984 -0.094
3447 8 . 1 1 52 52 Q N N 52 115.200 117.259 -2.059
3448 8 . 1 1 52 52 Q HA H 52 4.100 4.080 0.020
3449 8 . 1 1 52 52 Q C C 52 177.300 177.100 0.200
3450 8 . 1 1 52 52 Q CA C 52 58.600 58.132 0.468
3451 8 . 1 1 52 52 Q CB C 52 27.700 28.059 -0.359
3452 8 . 1 1 52 52 Q H H 52 8.910 8.420 0.490
3453 8 . 1 1 53 53 V N N 53 114.900 120.577 -5.677
3454 8 . 1 1 53 53 V HA H 53 4.120 3.761 0.359
3455 8 . 1 1 53 53 V C C 53 176.100 177.561 -1.461
3456 8 . 1 1 53 53 V CA C 53 62.100 66.507 -4.407
3457 8 . 1 1 53 53 V CB C 53 31.900 31.248 0.652
3458 8 . 1 1 53 53 V H H 53 7.080 7.465 -0.385
3459 8 . 1 1 54 54 R N N 54 121.500 120.925 0.575
3460 8 . 1 1 54 54 R HA H 54 3.620 3.893 -0.273
3461 8 . 1 1 54 54 R C C 54 177.100 178.547 -1.447
3462 8 . 1 1 54 54 R CA C 54 60.400 59.340 1.060
3463 8 . 1 1 54 54 R CB C 54 29.700 29.887 -0.187
3464 8 . 1 1 54 54 R H H 54 7.510 8.005 -0.495
3465 8 . 1 1 55 55 K N N 55 116.800 118.547 -1.747
3466 8 . 1 1 55 55 K HA H 55 3.890 4.047 -0.157
3467 8 . 1 1 55 55 K C C 55 176.000 179.740 -3.740
3468 8 . 1 1 55 55 K CA C 55 59.600 59.720 -0.120
3469 8 . 1 1 55 55 K CB C 55 31.800 32.386 -0.586
3470 8 . 1 1 55 55 K H H 55 8.170 7.773 0.397
3471 8 . 1 1 56 56 E N N 56 120.200 119.686 0.514
3472 8 . 1 1 56 56 E HA H 56 4.050 4.022 0.028
3473 8 . 1 1 56 56 E CA C 56 59.100 59.077 0.023
3474 8 . 1 1 56 56 E CB C 56 29.200 29.515 -0.315
3475 8 . 1 1 56 56 E H H 56 7.600 8.117 -0.517
3476 8 . 1 1 57 57 L N N 57 120.200 120.981 -0.781
3477 8 . 1 1 57 57 L HA H 57 3.970 4.002 -0.032
3478 8 . 1 1 57 57 L C C 57 178.300 178.682 -0.382
3479 8 . 1 1 57 57 L CA C 57 57.700 57.889 -0.189
3480 8 . 1 1 57 57 L CB C 57 42.000 41.666 0.334
3481 8 . 1 1 57 57 L H H 57 7.980 8.225 -0.245
3482 8 . 1 1 58 58 A N N 58 120.600 121.510 -0.910
3483 8 . 1 1 58 58 A HA H 58 3.400 3.943 -0.543
3484 8 . 1 1 58 58 A C C 58 178.600 179.072 -0.472
3485 8 . 1 1 58 58 A CA C 58 55.200 55.439 -0.239
3486 8 . 1 1 58 58 A CB C 58 17.600 18.223 -0.623
3487 8 . 1 1 58 58 A H H 58 7.820 8.083 -0.263
3488 8 . 1 1 59 59 K N N 59 116.600 118.502 -1.902
3489 8 . 1 1 59 59 K HA H 59 3.990 3.949 0.041
3490 8 . 1 1 59 59 K C C 59 179.900 177.696 2.204
3491 8 . 1 1 59 59 K CA C 59 59.400 59.444 -0.044
3492 8 . 1 1 59 59 K CB C 59 32.000 32.115 -0.115
3493 8 . 1 1 59 59 K H H 59 7.630 7.719 -0.089
3494 8 . 1 1 60 60 E N N 60 120.700 118.726 1.974
3495 8 . 1 1 60 60 E HA H 60 4.390 4.160 0.230
3496 8 . 1 1 60 60 E C C 60 178.100 178.325 -0.225
3497 8 . 1 1 60 60 E CA C 60 58.100 59.410 -1.310
3498 8 . 1 1 60 60 E CB C 60 28.800 29.699 -0.899
3499 8 . 1 1 60 60 E H H 60 7.950 8.116 -0.166
3500 8 . 1 1 61 61 A N N 61 122.400 122.376 0.024
3501 8 . 1 1 61 61 A HA H 61 4.160 4.449 -0.289
3502 8 . 1 1 61 61 A C C 61 179.100 180.172 -1.072
3503 8 . 1 1 61 61 A CA C 61 56.000 55.072 0.928
3504 8 . 1 1 61 61 A CB C 61 17.300 18.737 -1.437
3505 8 . 1 1 61 61 A H H 61 8.300 8.510 -0.210
3506 8 . 1 1 62 62 E N N 62 115.600 118.238 -2.638
3507 8 . 1 1 62 62 E HA H 62 4.040 4.055 -0.015
3508 8 . 1 1 62 62 E C C 62 179.200 179.268 -0.068
3509 8 . 1 1 62 62 E CA C 62 59.200 59.675 -0.475
3510 8 . 1 1 62 62 E CB C 62 29.300 29.263 0.037
3511 8 . 1 1 62 62 E H H 62 8.100 8.194 -0.094
3512 8 . 1 1 63 63 R N N 63 122.800 120.436 2.364
3513 8 . 1 1 63 63 R HA H 63 4.040 4.216 -0.176
3514 8 . 1 1 63 63 R C C 63 179.100 179.045 0.055
3515 8 . 1 1 63 63 R CA C 63 59.600 58.621 0.979
3516 8 . 1 1 63 63 R CB C 63 29.800 29.929 -0.129
3517 8 . 1 1 63 63 R H H 63 8.250 7.332 0.918
3518 8 . 1 1 64 64 L N N 64 120.800 120.033 0.767
3519 8 . 1 1 64 64 L HA H 64 3.870 4.090 -0.220
3520 8 . 1 1 64 64 L C C 64 178.200 179.197 -0.997
3521 8 . 1 1 64 64 L CA C 64 57.500 57.939 -0.439
3522 8 . 1 1 64 64 L CB C 64 42.300 41.867 0.433
3523 8 . 1 1 64 64 L H H 64 8.460 8.567 -0.107
3524 8 . 1 1 65 65 A N N 65 120.200 122.122 -1.922
3525 8 . 1 1 65 65 A HA H 65 4.050 4.297 -0.247
3526 8 . 1 1 65 65 A C C 65 179.500 180.050 -0.550
3527 8 . 1 1 65 65 A CA C 65 55.200 55.698 -0.498
3528 8 . 1 1 65 65 A CB C 65 17.900 18.361 -0.461
3529 8 . 1 1 65 65 A H H 65 8.190 8.538 -0.348
3530 8 . 1 1 66 66 K N N 66 116.500 117.588 -1.088
3531 8 . 1 1 66 66 K HA H 66 4.190 4.088 0.102
3532 8 . 1 1 66 66 K C C 66 178.800 179.012 -0.212
3533 8 . 1 1 66 66 K CA C 66 58.900 59.350 -0.450
3534 8 . 1 1 66 66 K CB C 66 32.300 31.935 0.365
3535 8 . 1 1 66 66 K H H 66 7.700 8.436 -0.736
3536 8 . 1 1 67 67 E N N 67 120.200 119.417 0.783
3537 8 . 1 1 67 67 E HA H 67 3.840 3.949 -0.109
3538 8 . 1 1 67 67 E C C 67 178.000 177.682 0.318
3539 8 . 1 1 67 67 E CA C 67 59.100 59.049 0.051
3540 8 . 1 1 67 67 E CB C 67 29.300 29.371 -0.071
3541 8 . 1 1 67 67 E H H 67 8.270 7.927 0.343
3542 8 . 1 1 68 68 F N N 68 113.400 113.996 -0.596
3543 8 . 1 1 68 68 F HA H 68 4.760 4.625 0.135
3544 8 . 1 1 68 68 F C C 68 174.400 175.122 -0.722
3545 8 . 1 1 68 68 F CA C 68 56.300 57.323 -1.023
3546 8 . 1 1 68 68 F CB C 68 39.400 38.880 0.520
3547 8 . 1 1 68 68 F H H 68 7.800 7.446 0.354
3548 8 . 1 1 69 69 N N N 69 118.200 117.301 0.899
3549 8 . 1 1 69 69 N HA H 69 4.510 4.354 0.156
3550 8 . 1 1 69 69 N CA C 69 54.200 54.476 -0.276
3551 8 . 1 1 69 69 N CB C 69 37.000 37.889 -0.889
3552 8 . 1 1 69 69 N H H 69 7.950 8.005 -0.055
3553 8 . 1 1 70 70 I N N 70 113.900 115.360 -1.460
3554 8 . 1 1 70 70 I HA H 70 4.950 4.464 0.486
3555 8 . 1 1 70 70 I CA C 70 59.800 59.424 0.376
3556 8 . 1 1 70 70 I CB C 70 40.000 39.636 0.364
3557 8 . 1 1 70 70 I H H 70 8.480 7.891 0.589
3558 8 . 1 1 71 71 T N N 71 113.600 118.421 -4.821
3559 8 . 1 1 71 71 T HA H 71 4.820 4.888 -0.068
3560 8 . 1 1 71 71 T C C 71 173.500 173.799 -0.299
3561 8 . 1 1 71 71 T CA C 71 61.500 61.881 -0.381
3562 8 . 1 1 71 71 T CB C 71 71.200 70.967 0.233
3563 8 . 1 1 71 71 T H H 71 8.520 8.456 0.064
3564 8 . 1 1 72 72 V N N 72 122.600 122.233 0.367
3565 8 . 1 1 72 72 V HA H 72 5.330 4.967 0.363
3566 8 . 1 1 72 72 V C C 72 173.200 173.642 -0.442
3567 8 . 1 1 72 72 V CA C 72 59.200 60.189 -0.989
3568 8 . 1 1 72 72 V CB C 72 35.800 34.886 0.914
3569 8 . 1 1 72 72 V H H 72 8.720 8.461 0.259
3570 8 . 1 1 73 73 T N N 73 119.300 118.775 0.525
3571 8 . 1 1 73 73 T HA H 73 4.410 5.014 -0.604
3572 8 . 1 1 73 73 T CA C 73 60.100 58.812 1.288
3573 8 . 1 1 73 73 T CB C 73 71.800 72.219 -0.419
3574 8 . 1 1 73 73 T H H 73 8.430 8.269 0.161
3575 8 . 1 1 74 74 Y N N 74 118.100 119.050 -0.950
3576 8 . 1 1 74 74 Y HA H 74 5.530 5.488 0.042
3577 8 . 1 1 74 74 Y CA C 74 55.900 56.440 -0.540
3578 8 . 1 1 74 74 Y CB C 74 41.600 42.840 -1.240
3579 8 . 1 1 74 74 Y H H 74 8.120 8.448 -0.328
3580 8 . 1 1 75 75 T N N 75 115.000 115.031 -0.031
3581 8 . 1 1 75 75 T HA H 75 4.590 5.108 -0.518
3582 8 . 1 1 75 75 T CA C 75 60.700 61.520 -0.820
3583 8 . 1 1 75 75 T CB C 75 71.700 71.556 0.144
3584 8 . 1 1 75 75 T H H 75 8.810 8.929 -0.119
3585 8 . 1 1 76 76 I N N 76 124.400 126.270 -1.870
3586 8 . 1 1 76 76 I HA H 76 4.800 4.659 0.141
3587 8 . 1 1 76 76 I C C 76 175.300 174.820 0.480
3588 8 . 1 1 76 76 I CA C 76 59.900 60.276 -0.376
3589 8 . 1 1 76 76 I CB C 76 39.500 42.146 -2.646
3590 8 . 1 1 76 76 I H H 76 8.650 8.863 -0.213
3591 8 . 1 1 77 77 R N N 77 125.900 127.673 -1.773
3592 8 . 1 1 77 77 R HA H 77 4.570 4.608 -0.038
3593 8 . 1 1 77 77 R CA C 77 55.100 55.851 -0.751
3594 8 . 1 1 77 77 R CB C 77 32.500 30.114 2.386
3595 8 . 1 1 77 77 R H H 77 8.680 8.689 -0.009
3596 8 . 1 1 78 78 L N N 78 124.400 127.379 -2.979
3597 8 . 1 1 78 78 L HA H 78 4.320 5.122 -0.802
3598 8 . 1 1 78 78 L C C 78 177.000 174.679 2.321
3599 8 . 1 1 78 78 L CA C 78 55.200 53.567 1.633
3600 8 . 1 1 78 78 L CB C 78 42.200 45.149 -2.949
3601 8 . 1 1 78 78 L H H 78 8.500 9.055 -0.555
3602 8 . 1 1 79 79 E N N 79 121.300 128.266 -6.966
3603 8 . 1 1 79 79 E HA H 79 4.150 4.870 -0.720
3604 8 . 1 1 79 79 E C C 79 173.700 176.050 -2.350
3605 8 . 1 1 79 79 E CA C 79 55.400 55.113 0.287
3606 8 . 1 1 79 79 E CB C 79 30.100 31.210 -1.110
3607 8 . 1 1 79 79 E H H 79 8.310 8.993 -0.683
3608 8 . 1 1 80 80 H N N 80 125.300 121.371 3.929
3609 8 . 1 1 80 80 H HA H 80 4.580 5.584 -1.004
3610 8 . 1 1 80 80 H CA C 80 57.100 53.719 3.381
3611 8 . 1 1 80 80 H CB C 80 30.300 33.144 -2.844
3612 8 . 1 1 80 80 H H H 80 8.090 8.744 -0.654
3613 9 . 1 1 2 2 E N N 2 121.100 125.450 -4.350
3614 9 . 1 1 2 2 E HA H 2 5.260 5.137 0.123
3615 9 . 1 1 2 2 E C C 2 174.300 173.996 0.304
3616 9 . 1 1 2 2 E CA C 2 54.300 55.105 -0.805
3617 9 . 1 1 2 2 E CB C 2 32.400 33.334 -0.934
3618 9 . 1 1 2 2 E H H 2 8.720 8.863 -0.143
3619 9 . 1 1 3 3 M N N 3 122.600 126.593 -3.993
3620 9 . 1 1 3 3 M HA H 3 5.120 5.173 -0.053
3621 9 . 1 1 3 3 M C C 3 172.600 174.030 -1.430
3622 9 . 1 1 3 3 M CA C 3 54.600 54.067 0.533
3623 9 . 1 1 3 3 M CB C 3 37.000 35.537 1.463
3624 9 . 1 1 3 3 M H H 3 8.990 8.946 0.044
3625 9 . 1 1 4 4 D N N 4 126.300 126.258 0.042
3626 9 . 1 1 4 4 D HA H 4 5.650 5.161 0.489
3627 9 . 1 1 4 4 D C C 4 175.000 175.364 -0.364
3628 9 . 1 1 4 4 D CA C 4 52.600 53.584 -0.984
3629 9 . 1 1 4 4 D CB C 4 41.800 41.996 -0.196
3630 9 . 1 1 4 4 D H H 4 8.810 8.709 0.101
3631 9 . 1 1 5 5 I N N 5 124.600 124.537 0.063
3632 9 . 1 1 5 5 I HA H 5 4.470 5.090 -0.620
3633 9 . 1 1 5 5 I C C 5 173.600 175.184 -1.584
3634 9 . 1 1 5 5 I CA C 5 60.500 59.429 1.071
3635 9 . 1 1 5 5 I CB C 5 41.100 40.538 0.562
3636 9 . 1 1 5 5 I H H 5 9.520 9.066 0.454
3637 9 . 1 1 6 6 R N N 6 127.500 124.905 2.595
3638 9 . 1 1 6 6 R HA H 6 5.410 5.407 0.003
3639 9 . 1 1 6 6 R C C 6 175.300 175.047 0.253
3640 9 . 1 1 6 6 R CA C 6 54.400 54.616 -0.216
3641 9 . 1 1 6 6 R CB C 6 32.500 33.179 -0.679
3642 9 . 1 1 6 6 R H H 6 8.970 8.910 0.060
3643 9 . 1 1 7 7 F N N 7 125.400 122.790 2.610
3644 9 . 1 1 7 7 F HA H 7 5.720 5.113 0.607
3645 9 . 1 1 7 7 F C C 7 174.800 174.874 -0.074
3646 9 . 1 1 7 7 F CA C 7 56.000 57.064 -1.064
3647 9 . 1 1 7 7 F CB C 7 42.300 41.933 0.367
3648 9 . 1 1 7 7 F H H 7 9.530 9.182 0.348
3649 9 . 1 1 8 8 R N N 8 121.100 122.230 -1.130
3650 9 . 1 1 8 8 R HA H 8 5.700 5.643 0.057
3651 9 . 1 1 8 8 R C C 8 175.400 175.201 0.199
3652 9 . 1 1 8 8 R CA C 8 54.500 55.159 -0.659
3653 9 . 1 1 8 8 R CB C 8 33.800 34.153 -0.353
3654 9 . 1 1 8 8 R H H 8 8.770 9.388 -0.618
3655 9 . 1 1 9 9 G N N 9 111.500 112.302 -0.802
3656 9 . 1 1 9 9 G C C 9 171.200 170.993 0.207
3657 9 . 1 1 9 9 G CA C 9 45.200 46.005 -0.805
3658 9 . 1 1 9 9 G H H 9 8.630 8.175 0.455
3659 9 . 1 1 10 10 D N N 10 117.300 120.475 -3.175
3660 9 . 1 1 10 10 D HA H 10 4.710 5.409 -0.699
3661 9 . 1 1 10 10 D C C 10 175.300 174.387 0.913
3662 9 . 1 1 10 10 D CA C 10 53.400 53.023 0.377
3663 9 . 1 1 10 10 D CB C 10 41.400 44.517 -3.117
3664 9 . 1 1 10 10 D H H 10 8.230 8.712 -0.482
3665 9 . 1 1 11 11 D N N 11 119.000 123.943 -4.943
3666 9 . 1 1 11 11 D HA H 11 4.690 4.764 -0.074
3667 9 . 1 1 11 11 D C C 11 175.500 176.072 -0.572
3668 9 . 1 1 11 11 D CA C 11 52.600 54.607 -2.007
3669 9 . 1 1 11 11 D CB C 11 41.500 40.257 1.243
3670 9 . 1 1 11 11 D H H 11 7.400 8.995 -1.595
3671 9 . 1 1 12 12 L N N 12 125.800 126.329 -0.529
3672 9 . 1 1 12 12 L HA H 12 3.850 4.128 -0.278
3673 9 . 1 1 12 12 L C C 12 179.100 178.758 0.342
3674 9 . 1 1 12 12 L CA C 12 57.800 58.358 -0.558
3675 9 . 1 1 12 12 L CB C 12 41.700 41.844 -0.144
3676 9 . 1 1 12 12 L H H 12 8.520 8.705 -0.185
3677 9 . 1 1 13 13 E N N 13 119.800 118.255 1.545
3678 9 . 1 1 13 13 E HA H 13 3.980 3.930 0.050
3679 9 . 1 1 13 13 E C C 13 178.600 178.779 -0.179
3680 9 . 1 1 13 13 E CA C 13 59.300 59.475 -0.175
3681 9 . 1 1 13 13 E CB C 13 29.100 29.283 -0.183
3682 9 . 1 1 13 13 E H H 13 8.140 8.319 -0.179
3683 9 . 1 1 14 14 A N N 14 122.200 122.570 -0.370
3684 9 . 1 1 14 14 A HA H 14 3.380 2.406 0.974
3685 9 . 1 1 14 14 A C C 14 179.300 179.534 -0.234
3686 9 . 1 1 14 14 A CA C 14 54.400 54.291 0.109
3687 9 . 1 1 14 14 A CB C 14 18.700 18.240 0.460
3688 9 . 1 1 14 14 A H H 14 7.460 7.691 -0.231
3689 9 . 1 1 15 15 F N N 15 115.400 119.283 -3.883
3690 9 . 1 1 15 15 F HA H 15 3.850 3.979 -0.129
3691 9 . 1 1 15 15 F C C 15 177.000 177.039 -0.039
3692 9 . 1 1 15 15 F CA C 15 57.700 60.932 -3.232
3693 9 . 1 1 15 15 F CB C 15 37.500 39.132 -1.632
3694 9 . 1 1 15 15 F H H 15 7.380 7.532 -0.152
3695 9 . 1 1 16 16 E N N 16 118.800 117.897 0.903
3696 9 . 1 1 16 16 E HA H 16 3.660 3.449 0.211
3697 9 . 1 1 16 16 E C C 16 178.700 178.711 -0.011
3698 9 . 1 1 16 16 E CA C 16 59.800 58.929 0.871
3699 9 . 1 1 16 16 E CB C 16 29.100 29.105 -0.005
3700 9 . 1 1 16 16 E H H 16 7.990 8.071 -0.081
3701 9 . 1 1 17 17 K N N 17 118.200 119.518 -1.318
3702 9 . 1 1 17 17 K HA H 17 3.780 3.912 -0.132
3703 9 . 1 1 17 17 K C C 17 179.000 178.940 0.060
3704 9 . 1 1 17 17 K CA C 17 59.600 59.145 0.455
3705 9 . 1 1 17 17 K CB C 17 32.400 32.167 0.233
3706 9 . 1 1 17 17 K H H 17 7.550 8.151 -0.601
3707 9 . 1 1 18 18 A N N 18 122.400 121.994 0.406
3708 9 . 1 1 18 18 A HA H 18 3.890 3.998 -0.108
3709 9 . 1 1 18 18 A C C 18 178.900 179.763 -0.863
3710 9 . 1 1 18 18 A CA C 18 54.800 54.938 -0.138
3711 9 . 1 1 18 18 A CB C 18 17.100 17.728 -0.628
3712 9 . 1 1 18 18 A H H 18 8.060 7.414 0.646
3713 9 . 1 1 19 19 L N N 19 118.700 119.113 -0.413
3714 9 . 1 1 19 19 L HA H 19 3.690 3.829 -0.139
3715 9 . 1 1 19 19 L C C 19 177.700 178.093 -0.393
3716 9 . 1 1 19 19 L CA C 19 57.900 57.404 0.496
3717 9 . 1 1 19 19 L CB C 19 41.700 41.208 0.492
3718 9 . 1 1 19 19 L H H 19 8.280 7.556 0.724
3719 9 . 1 1 20 20 K N N 20 116.600 118.583 -1.983
3720 9 . 1 1 20 20 K HA H 20 3.780 3.727 0.053
3721 9 . 1 1 20 20 K C C 20 179.700 178.710 0.990
3722 9 . 1 1 20 20 K CA C 20 60.000 59.819 0.181
3723 9 . 1 1 20 20 K CB C 20 32.400 32.156 0.244
3724 9 . 1 1 20 20 K H H 20 7.760 7.971 -0.211
3725 9 . 1 1 21 21 E N N 21 118.700 119.027 -0.327
3726 9 . 1 1 21 21 E HA H 21 4.300 3.965 0.335
3727 9 . 1 1 21 21 E C C 21 178.500 179.674 -1.174
3728 9 . 1 1 21 21 E CA C 21 58.400 59.523 -1.123
3729 9 . 1 1 21 21 E CB C 21 29.100 29.246 -0.146
3730 9 . 1 1 21 21 E H H 21 7.750 8.327 -0.577
3731 9 . 1 1 22 22 M N N 22 119.100 118.668 0.432
3732 9 . 1 1 22 22 M HA H 22 4.390 4.197 0.193
3733 9 . 1 1 22 22 M C C 22 178.800 178.865 -0.065
3734 9 . 1 1 22 22 M CA C 22 57.300 58.846 -1.546
3735 9 . 1 1 22 22 M CB C 22 31.200 32.975 -1.775
3736 9 . 1 1 22 22 M H H 22 8.300 7.946 0.354
3737 9 . 1 1 23 23 I N N 23 120.200 119.409 0.791
3738 9 . 1 1 23 23 I HA H 23 3.550 3.606 -0.056
3739 9 . 1 1 23 23 I C C 23 177.600 177.921 -0.321
3740 9 . 1 1 23 23 I CA C 23 66.100 64.874 1.226
3741 9 . 1 1 23 23 I CB C 23 37.700 37.305 0.395
3742 9 . 1 1 23 23 I H H 23 8.460 8.174 0.286
3743 9 . 1 1 24 24 R N N 24 120.200 120.650 -0.450
3744 9 . 1 1 24 24 R HA H 24 3.890 3.778 0.112
3745 9 . 1 1 24 24 R C C 24 179.400 178.720 0.680
3746 9 . 1 1 24 24 R CA C 24 59.900 59.830 0.070
3747 9 . 1 1 24 24 R CB C 24 30.200 29.702 0.498
3748 9 . 1 1 24 24 R H H 24 7.720 8.303 -0.583
3749 9 . 1 1 25 25 Q N N 25 117.100 118.058 -0.958
3750 9 . 1 1 25 25 Q HA H 25 3.930 3.810 0.120
3751 9 . 1 1 25 25 Q C C 25 177.600 178.342 -0.742
3752 9 . 1 1 25 25 Q CA C 25 58.000 58.453 -0.453
3753 9 . 1 1 25 25 Q CB C 25 27.800 28.368 -0.568
3754 9 . 1 1 25 25 Q H H 25 8.190 7.954 0.236
3755 9 . 1 1 26 26 A N N 26 120.300 122.099 -1.799
3756 9 . 1 1 26 26 A HA H 26 3.690 4.280 -0.590
3757 9 . 1 1 26 26 A C C 26 179.400 179.892 -0.492
3758 9 . 1 1 26 26 A CA C 26 54.200 55.051 -0.851
3759 9 . 1 1 26 26 A CB C 26 18.300 18.278 0.022
3760 9 . 1 1 26 26 A H H 26 8.240 8.434 -0.194
3761 9 . 1 1 27 27 R N N 27 117.500 117.526 -0.026
3762 9 . 1 1 27 27 R HA H 27 4.070 4.053 0.017
3763 9 . 1 1 27 27 R C C 27 178.900 178.006 0.894
3764 9 . 1 1 27 27 R CA C 27 58.500 59.275 -0.775
3765 9 . 1 1 27 27 R CB C 27 29.700 29.714 -0.014
3766 9 . 1 1 27 27 R H H 27 8.080 7.800 0.280
3767 9 . 1 1 28 28 K N N 28 119.100 116.588 2.512
3768 9 . 1 1 28 28 K HA H 28 4.000 4.173 -0.173
3769 9 . 1 1 28 28 K C C 28 176.900 176.588 0.312
3770 9 . 1 1 28 28 K CA C 28 58.600 57.232 1.368
3771 9 . 1 1 28 28 K CB C 28 32.100 32.826 -0.726
3772 9 . 1 1 28 28 K H H 28 7.520 7.346 0.174
3773 9 . 1 1 29 29 F N N 29 114.500 118.490 -3.990
3774 9 . 1 1 29 29 F HA H 29 4.930 4.687 0.243
3775 9 . 1 1 29 29 F C C 29 173.600 175.085 -1.485
3776 9 . 1 1 29 29 F CA C 29 55.800 57.592 -1.792
3777 9 . 1 1 29 29 F CB C 29 39.000 40.353 -1.353
3778 9 . 1 1 29 29 F H H 29 7.010 7.341 -0.331
3779 9 . 1 1 30 30 A N N 30 121.600 127.156 -5.556
3780 9 . 1 1 30 30 A HA H 30 4.130 4.375 -0.245
3781 9 . 1 1 30 30 A C C 30 176.700 176.793 -0.093
3782 9 . 1 1 30 30 A CA C 30 52.900 51.722 1.178
3783 9 . 1 1 30 30 A CB C 30 17.000 17.596 -0.596
3784 9 . 1 1 30 30 A H H 30 7.830 8.770 -0.940
3785 9 . 1 1 31 31 G N N 31 105.400 107.902 -2.502
3786 9 . 1 1 31 31 G C C 31 173.100 171.921 1.179
3787 9 . 1 1 31 31 G CA C 31 45.100 45.857 -0.757
3788 9 . 1 1 31 31 G H H 31 7.950 8.202 -0.252
3789 9 . 1 1 32 32 T N N 32 115.700 115.390 0.310
3790 9 . 1 1 32 32 T HA H 32 4.580 5.128 -0.548
3791 9 . 1 1 32 32 T C C 32 173.100 173.484 -0.384
3792 9 . 1 1 32 32 T CA C 32 61.900 61.424 0.476
3793 9 . 1 1 32 32 T CB C 32 70.500 72.409 -1.909
3794 9 . 1 1 32 32 T H H 32 8.220 8.547 -0.327
3795 9 . 1 1 33 33 V N N 33 125.300 126.699 -1.399
3796 9 . 1 1 33 33 V HA H 33 5.150 5.272 -0.122
3797 9 . 1 1 33 33 V C C 33 175.300 175.545 -0.245
3798 9 . 1 1 33 33 V CA C 33 60.800 60.520 0.280
3799 9 . 1 1 33 33 V CB C 33 34.300 35.012 -0.712
3800 9 . 1 1 33 33 V H H 33 8.610 8.915 -0.305
3801 9 . 1 1 34 34 T N N 34 120.200 117.446 2.754
3802 9 . 1 1 34 34 T HA H 34 4.670 5.430 -0.760
3803 9 . 1 1 34 34 T CA C 34 60.200 59.233 0.967
3804 9 . 1 1 34 34 T CB C 34 71.600 72.025 -0.425
3805 9 . 1 1 34 34 T H H 34 8.890 9.225 -0.335
3806 9 . 1 1 35 35 Y N N 35 118.100 118.271 -0.171
3807 9 . 1 1 35 35 Y HA H 35 5.720 6.141 -0.421
3808 9 . 1 1 35 35 Y C C 35 174.400 172.905 1.495
3809 9 . 1 1 35 35 Y CA C 35 56.200 56.320 -0.120
3810 9 . 1 1 35 35 Y CB C 35 41.800 41.410 0.390
3811 9 . 1 1 35 35 Y H H 35 8.360 8.821 -0.461
3812 9 . 1 1 36 36 T N N 36 115.200 116.045 -0.845
3813 9 . 1 1 36 36 T HA H 36 4.400 5.075 -0.675
3814 9 . 1 1 36 36 T CA C 36 60.200 59.993 0.207
3815 9 . 1 1 36 36 T CB C 36 71.800 71.776 0.024
3816 9 . 1 1 36 36 T H H 36 9.020 8.851 0.169
3817 9 . 1 1 37 37 L N N 37 129.300 128.099 1.201
3818 9 . 1 1 37 37 L HA H 37 5.020 4.998 0.022
3819 9 . 1 1 37 37 L C C 37 174.900 175.615 -0.715
3820 9 . 1 1 37 37 L CA C 37 54.400 53.649 0.751
3821 9 . 1 1 37 37 L CB C 37 43.800 43.774 0.026
3822 9 . 1 1 37 37 L H H 37 8.850 8.748 0.102
3823 9 . 1 1 38 38 D N N 38 127.200 124.162 3.038
3824 9 . 1 1 38 38 D HA H 38 4.850 4.831 0.019
3825 9 . 1 1 38 38 D CA C 38 53.000 52.590 0.410
3826 9 . 1 1 38 38 D CB C 38 42.300 41.250 1.050
3827 9 . 1 1 38 38 D H H 38 8.740 8.844 -0.104
3828 9 . 1 1 39 39 G N N 39 114.000 115.485 -1.485
3829 9 . 1 1 39 39 G C C 39 174.000 174.800 -0.800
3830 9 . 1 1 39 39 G CA C 39 47.400 47.268 0.132
3831 9 . 1 1 39 39 G H H 39 8.700 8.917 -0.217
3832 9 . 1 1 40 40 N N N 40 124.400 124.403 -0.003
3833 9 . 1 1 40 40 N HA H 40 5.070 4.789 0.281
3834 9 . 1 1 40 40 N C C 40 173.100 174.485 -1.385
3835 9 . 1 1 40 40 N CA C 40 53.200 53.075 0.125
3836 9 . 1 1 40 40 N CB C 40 39.300 39.179 0.121
3837 9 . 1 1 40 40 N H H 40 8.740 8.400 0.340
3838 9 . 1 1 41 41 D N N 41 118.500 118.786 -0.286
3839 9 . 1 1 41 41 D HA H 41 5.410 5.078 0.332
3840 9 . 1 1 41 41 D C C 41 173.600 175.752 -2.152
3841 9 . 1 1 41 41 D CA C 41 53.700 53.292 0.408
3842 9 . 1 1 41 41 D CB C 41 43.800 42.619 1.181
3843 9 . 1 1 41 41 D H H 41 7.980 8.101 -0.121
3844 9 . 1 1 42 42 L N N 42 125.100 123.925 1.175
3845 9 . 1 1 42 42 L HA H 42 4.960 4.916 0.044
3846 9 . 1 1 42 42 L C C 42 173.600 174.959 -1.359
3847 9 . 1 1 42 42 L CA C 42 53.400 54.280 -0.880
3848 9 . 1 1 42 42 L CB C 42 43.700 44.885 -1.185
3849 9 . 1 1 42 42 L H H 42 8.520 9.025 -0.505
3850 9 . 1 1 43 43 E N N 43 127.800 126.817 0.983
3851 9 . 1 1 43 43 E HA H 43 5.280 4.806 0.474
3852 9 . 1 1 43 43 E C C 43 174.900 175.624 -0.724
3853 9 . 1 1 43 43 E CA C 43 54.500 56.675 -2.175
3854 9 . 1 1 43 43 E CB C 43 32.000 30.130 1.870
3855 9 . 1 1 43 43 E H H 43 8.990 8.921 0.069
3856 9 . 1 1 44 44 I N N 44 126.300 126.533 -0.233
3857 9 . 1 1 44 44 I HA H 44 4.760 5.102 -0.342
3858 9 . 1 1 44 44 I C C 44 173.800 174.312 -0.512
3859 9 . 1 1 44 44 I CA C 44 60.000 60.641 -0.641
3860 9 . 1 1 44 44 I CB C 44 41.200 40.077 1.123
3861 9 . 1 1 44 44 I H H 44 9.590 9.184 0.406
3862 9 . 1 1 45 45 R N N 45 127.800 129.504 -1.704
3863 9 . 1 1 45 45 R HA H 45 5.250 5.158 0.092
3864 9 . 1 1 45 45 R C C 45 175.300 174.764 0.536
3865 9 . 1 1 45 45 R CA C 45 55.000 54.577 0.423
3866 9 . 1 1 45 45 R CB C 45 31.700 33.477 -1.777
3867 9 . 1 1 45 45 R H H 45 9.130 9.283 -0.153
3868 9 . 1 1 46 46 I N N 46 125.800 127.365 -1.565
3869 9 . 1 1 46 46 I HA H 46 5.150 4.706 0.444
3870 9 . 1 1 46 46 I C C 46 175.600 174.484 1.116
3871 9 . 1 1 46 46 I CA C 46 60.100 59.981 0.119
3872 9 . 1 1 46 46 I CB C 46 39.900 39.387 0.513
3873 9 . 1 1 46 46 I H H 46 9.180 9.282 -0.102
3874 9 . 1 1 47 47 T N N 47 118.800 123.334 -4.534
3875 9 . 1 1 47 47 T HA H 47 5.010 4.787 0.223
3876 9 . 1 1 47 47 T C C 47 174.300 175.310 -1.010
3877 9 . 1 1 47 47 T CA C 47 60.100 61.596 -1.496
3878 9 . 1 1 47 47 T CB C 47 70.900 68.683 2.217
3879 9 . 1 1 47 47 T H H 47 9.020 9.118 -0.098
3880 9 . 1 1 48 48 G N N 48 109.000 115.259 -6.259
3881 9 . 1 1 48 48 G C C 48 174.700 173.791 0.909
3882 9 . 1 1 48 48 G CA C 48 46.200 46.405 -0.205
3883 9 . 1 1 48 48 G H H 48 8.350 8.627 -0.277
3884 9 . 1 1 49 49 V N N 49 114.200 113.643 0.557
3885 9 . 1 1 49 49 V HA H 49 4.260 4.530 -0.270
3886 9 . 1 1 49 49 V CA C 49 58.200 57.805 0.395
3887 9 . 1 1 49 49 V CB C 49 32.500 33.614 -1.114
3888 9 . 1 1 49 49 V H H 49 7.760 7.256 0.504
3889 9 . 1 1 50 50 P HA H 50 4.580 4.643 -0.063
3890 9 . 1 1 50 50 P C C 50 177.200 177.832 -0.632
3891 9 . 1 1 50 50 P CA C 50 61.800 62.625 -0.825
3892 9 . 1 1 50 50 P CB C 50 32.500 32.674 -0.174
3893 9 . 1 1 51 51 E N N 51 123.400 124.119 -0.719
3894 9 . 1 1 51 51 E HA H 51 4.000 3.908 0.092
3895 9 . 1 1 51 51 E C C 51 178.500 178.341 0.159
3896 9 . 1 1 51 51 E CA C 51 59.500 59.710 -0.210
3897 9 . 1 1 51 51 E CB C 51 29.300 29.440 -0.140
3898 9 . 1 1 51 51 E H H 51 8.890 9.019 -0.129
3899 9 . 1 1 52 52 Q N N 52 115.200 116.944 -1.744
3900 9 . 1 1 52 52 Q HA H 52 4.100 4.101 -0.001
3901 9 . 1 1 52 52 Q C C 52 177.300 177.016 0.284
3902 9 . 1 1 52 52 Q CA C 52 58.600 58.238 0.362
3903 9 . 1 1 52 52 Q CB C 52 27.700 27.909 -0.209
3904 9 . 1 1 52 52 Q H H 52 8.910 8.543 0.367
3905 9 . 1 1 53 53 V N N 53 114.900 120.007 -5.107
3906 9 . 1 1 53 53 V HA H 53 4.120 4.110 0.010
3907 9 . 1 1 53 53 V C C 53 176.100 177.467 -1.367
3908 9 . 1 1 53 53 V CA C 53 62.100 63.692 -1.592
3909 9 . 1 1 53 53 V CB C 53 31.900 32.142 -0.242
3910 9 . 1 1 53 53 V H H 53 7.080 7.435 -0.355
3911 9 . 1 1 54 54 R N N 54 121.500 123.056 -1.556
3912 9 . 1 1 54 54 R HA H 54 3.620 3.966 -0.346
3913 9 . 1 1 54 54 R C C 54 177.100 178.322 -1.222
3914 9 . 1 1 54 54 R CA C 54 60.400 59.752 0.648
3915 9 . 1 1 54 54 R CB C 54 29.700 29.865 -0.165
3916 9 . 1 1 54 54 R H H 54 7.510 8.266 -0.756
3917 9 . 1 1 55 55 K N N 55 116.800 117.792 -0.992
3918 9 . 1 1 55 55 K HA H 55 3.890 4.035 -0.145
3919 9 . 1 1 55 55 K C C 55 176.000 178.978 -2.978
3920 9 . 1 1 55 55 K CA C 55 59.600 59.335 0.265
3921 9 . 1 1 55 55 K CB C 55 31.800 32.237 -0.437
3922 9 . 1 1 55 55 K H H 55 8.170 8.142 0.028
3923 9 . 1 1 56 56 E N N 56 120.200 119.617 0.583
3924 9 . 1 1 56 56 E HA H 56 4.050 4.092 -0.042
3925 9 . 1 1 56 56 E CA C 56 59.100 58.949 0.151
3926 9 . 1 1 56 56 E CB C 56 29.200 29.506 -0.306
3927 9 . 1 1 56 56 E H H 56 7.600 8.095 -0.495
3928 9 . 1 1 57 57 L N N 57 120.200 120.233 -0.033
3929 9 . 1 1 57 57 L HA H 57 3.970 4.056 -0.086
3930 9 . 1 1 57 57 L C C 57 178.300 178.899 -0.599
3931 9 . 1 1 57 57 L CA C 57 57.700 57.960 -0.260
3932 9 . 1 1 57 57 L CB C 57 42.000 41.628 0.372
3933 9 . 1 1 57 57 L H H 57 7.980 8.333 -0.353
3934 9 . 1 1 58 58 A N N 58 120.600 121.329 -0.729
3935 9 . 1 1 58 58 A HA H 58 3.400 3.674 -0.274
3936 9 . 1 1 58 58 A C C 58 178.600 178.850 -0.250
3937 9 . 1 1 58 58 A CA C 58 55.200 55.171 0.029
3938 9 . 1 1 58 58 A CB C 58 17.600 18.274 -0.674
3939 9 . 1 1 58 58 A H H 58 7.820 8.113 -0.293
3940 9 . 1 1 59 59 K N N 59 116.600 118.130 -1.530
3941 9 . 1 1 59 59 K HA H 59 3.990 3.813 0.177
3942 9 . 1 1 59 59 K C C 59 179.900 178.959 0.941
3943 9 . 1 1 59 59 K CA C 59 59.400 59.831 -0.431
3944 9 . 1 1 59 59 K CB C 59 32.000 32.561 -0.561
3945 9 . 1 1 59 59 K H H 59 7.630 7.908 -0.278
3946 9 . 1 1 60 60 E N N 60 120.700 119.604 1.096
3947 9 . 1 1 60 60 E HA H 60 4.390 4.043 0.347
3948 9 . 1 1 60 60 E C C 60 178.100 179.215 -1.115
3949 9 . 1 1 60 60 E CA C 60 58.100 59.022 -0.922
3950 9 . 1 1 60 60 E CB C 60 28.800 29.690 -0.890
3951 9 . 1 1 60 60 E H H 60 7.950 8.490 -0.540
3952 9 . 1 1 61 61 A N N 61 122.400 122.937 -0.537
3953 9 . 1 1 61 61 A HA H 61 4.160 4.358 -0.198
3954 9 . 1 1 61 61 A C C 61 179.100 179.973 -0.873
3955 9 . 1 1 61 61 A CA C 61 56.000 55.011 0.989
3956 9 . 1 1 61 61 A CB C 61 17.300 18.161 -0.861
3957 9 . 1 1 61 61 A H H 61 8.300 8.245 0.055
3958 9 . 1 1 62 62 E N N 62 115.600 117.773 -2.173
3959 9 . 1 1 62 62 E HA H 62 4.040 3.941 0.099
3960 9 . 1 1 62 62 E C C 62 179.200 179.173 0.027
3961 9 . 1 1 62 62 E CA C 62 59.200 59.578 -0.378
3962 9 . 1 1 62 62 E CB C 62 29.300 29.554 -0.254
3963 9 . 1 1 62 62 E H H 62 8.100 8.124 -0.024
3964 9 . 1 1 63 63 R N N 63 122.800 120.512 2.288
3965 9 . 1 1 63 63 R HA H 63 4.040 4.056 -0.016
3966 9 . 1 1 63 63 R C C 63 179.100 178.885 0.215
3967 9 . 1 1 63 63 R CA C 63 59.600 58.780 0.820
3968 9 . 1 1 63 63 R CB C 63 29.800 30.038 -0.238
3969 9 . 1 1 63 63 R H H 63 8.250 7.611 0.639
3970 9 . 1 1 64 64 L N N 64 120.800 120.276 0.524
3971 9 . 1 1 64 64 L HA H 64 3.870 4.057 -0.187
3972 9 . 1 1 64 64 L C C 64 178.200 179.123 -0.923
3973 9 . 1 1 64 64 L CA C 64 57.500 57.985 -0.485
3974 9 . 1 1 64 64 L CB C 64 42.300 41.945 0.355
3975 9 . 1 1 64 64 L H H 64 8.460 8.408 0.052
3976 9 . 1 1 65 65 A N N 65 120.200 121.464 -1.264
3977 9 . 1 1 65 65 A HA H 65 4.050 4.303 -0.253
3978 9 . 1 1 65 65 A C C 65 179.500 179.893 -0.393
3979 9 . 1 1 65 65 A CA C 65 55.200 55.973 -0.773
3980 9 . 1 1 65 65 A CB C 65 17.900 18.402 -0.502
3981 9 . 1 1 65 65 A H H 65 8.190 8.595 -0.405
3982 9 . 1 1 66 66 K N N 66 116.500 117.422 -0.922
3983 9 . 1 1 66 66 K HA H 66 4.190 3.974 0.216
3984 9 . 1 1 66 66 K C C 66 178.800 179.120 -0.320
3985 9 . 1 1 66 66 K CA C 66 58.900 59.561 -0.661
3986 9 . 1 1 66 66 K CB C 66 32.300 32.277 0.023
3987 9 . 1 1 66 66 K H H 66 7.700 8.426 -0.726
3988 9 . 1 1 67 67 E N N 67 120.200 119.511 0.689
3989 9 . 1 1 67 67 E HA H 67 3.840 3.875 -0.035
3990 9 . 1 1 67 67 E C C 67 178.000 177.798 0.202
3991 9 . 1 1 67 67 E CA C 67 59.100 58.945 0.155
3992 9 . 1 1 67 67 E CB C 67 29.300 29.264 0.036
3993 9 . 1 1 67 67 E H H 67 8.270 7.934 0.336
3994 9 . 1 1 68 68 F N N 68 113.400 114.170 -0.770
3995 9 . 1 1 68 68 F HA H 68 4.760 4.497 0.263
3996 9 . 1 1 68 68 F C C 68 174.400 174.571 -0.171
3997 9 . 1 1 68 68 F CA C 68 56.300 58.151 -1.851
3998 9 . 1 1 68 68 F CB C 68 39.400 39.663 -0.263
3999 9 . 1 1 68 68 F H H 68 7.800 7.375 0.425
4000 9 . 1 1 69 69 N N N 69 118.200 113.713 4.487
4001 9 . 1 1 69 69 N HA H 69 4.510 4.382 0.128
4002 9 . 1 1 69 69 N CA C 69 54.200 54.593 -0.393
4003 9 . 1 1 69 69 N CB C 69 37.000 36.866 0.134
4004 9 . 1 1 69 69 N H H 69 7.950 7.970 -0.020
4005 9 . 1 1 70 70 I N N 70 113.900 114.010 -0.110
4006 9 . 1 1 70 70 I HA H 70 4.950 4.795 0.155
4007 9 . 1 1 70 70 I CA C 70 59.800 59.109 0.691
4008 9 . 1 1 70 70 I CB C 70 40.000 40.862 -0.862
4009 9 . 1 1 70 70 I H H 70 8.480 8.041 0.439
4010 9 . 1 1 71 71 T N N 71 113.600 111.835 1.765
4011 9 . 1 1 71 71 T HA H 71 4.820 5.347 -0.527
4012 9 . 1 1 71 71 T C C 71 173.500 173.614 -0.114
4013 9 . 1 1 71 71 T CA C 71 61.500 59.789 1.711
4014 9 . 1 1 71 71 T CB C 71 71.200 71.659 -0.459
4015 9 . 1 1 71 71 T H H 71 8.520 8.840 -0.320
4016 9 . 1 1 72 72 V N N 72 122.600 119.937 2.663
4017 9 . 1 1 72 72 V HA H 72 5.330 4.746 0.584
4018 9 . 1 1 72 72 V C C 72 173.200 173.677 -0.477
4019 9 . 1 1 72 72 V CA C 72 59.200 60.367 -1.167
4020 9 . 1 1 72 72 V CB C 72 35.800 35.193 0.607
4021 9 . 1 1 72 72 V H H 72 8.720 8.613 0.107
4022 9 . 1 1 73 73 T N N 73 119.300 119.288 0.012
4023 9 . 1 1 73 73 T HA H 73 4.410 5.391 -0.981
4024 9 . 1 1 73 73 T CA C 73 60.100 59.455 0.645
4025 9 . 1 1 73 73 T CB C 73 71.800 71.620 0.180
4026 9 . 1 1 73 73 T H H 73 8.430 9.026 -0.596
4027 9 . 1 1 74 74 Y N N 74 118.100 118.957 -0.857
4028 9 . 1 1 74 74 Y HA H 74 5.530 5.611 -0.081
4029 9 . 1 1 74 74 Y CA C 74 55.900 55.665 0.235
4030 9 . 1 1 74 74 Y CB C 74 41.600 41.701 -0.101
4031 9 . 1 1 74 74 Y H H 74 8.120 8.667 -0.547
4032 9 . 1 1 75 75 T N N 75 115.000 116.737 -1.737
4033 9 . 1 1 75 75 T HA H 75 4.590 4.832 -0.242
4034 9 . 1 1 75 75 T CA C 75 60.700 61.704 -1.004
4035 9 . 1 1 75 75 T CB C 75 71.700 71.562 0.138
4036 9 . 1 1 75 75 T H H 75 8.810 8.903 -0.093
4037 9 . 1 1 76 76 I N N 76 124.400 128.424 -4.024
4038 9 . 1 1 76 76 I HA H 76 4.800 4.185 0.615
4039 9 . 1 1 76 76 I C C 76 175.300 175.476 -0.176
4040 9 . 1 1 76 76 I CA C 76 59.900 61.611 -1.711
4041 9 . 1 1 76 76 I CB C 76 39.500 38.081 1.419
4042 9 . 1 1 76 76 I H H 76 8.650 8.632 0.018
4043 9 . 1 1 77 77 R N N 77 125.900 125.687 0.213
4044 9 . 1 1 77 77 R HA H 77 4.570 4.314 0.256
4045 9 . 1 1 77 77 R CA C 77 55.100 56.049 -0.949
4046 9 . 1 1 77 77 R CB C 77 32.500 29.524 2.976
4047 9 . 1 1 77 77 R H H 77 8.680 8.072 0.608
4048 9 . 1 1 78 78 L N N 78 124.400 126.091 -1.691
4049 9 . 1 1 78 78 L HA H 78 4.320 4.155 0.165
4050 9 . 1 1 78 78 L C C 78 177.000 176.555 0.445
4051 9 . 1 1 78 78 L CA C 78 55.200 55.538 -0.338
4052 9 . 1 1 78 78 L CB C 78 42.200 42.107 0.093
4053 9 . 1 1 78 78 L H H 78 8.500 7.969 0.531
4054 9 . 1 1 79 79 E N N 79 121.300 122.659 -1.359
4055 9 . 1 1 79 79 E HA H 79 4.150 4.625 -0.475
4056 9 . 1 1 79 79 E C C 79 173.700 175.850 -2.150
4057 9 . 1 1 79 79 E CA C 79 55.400 55.102 0.298
4058 9 . 1 1 79 79 E CB C 79 30.100 31.286 -1.186
4059 9 . 1 1 79 79 E H H 79 8.310 8.433 -0.123
4060 9 . 1 1 80 80 H N N 80 125.300 122.682 2.618
4061 9 . 1 1 80 80 H HA H 80 4.580 4.495 0.085
4062 9 . 1 1 80 80 H CA C 80 57.100 55.683 1.417
4063 9 . 1 1 80 80 H CB C 80 30.300 29.686 0.614
4064 9 . 1 1 80 80 H H H 80 8.090 8.807 -0.717
4065 10 . 1 1 2 2 E N N 2 121.100 121.284 -0.184
4066 10 . 1 1 2 2 E HA H 2 5.260 4.963 0.297
4067 10 . 1 1 2 2 E C C 2 174.300 175.022 -0.722
4068 10 . 1 1 2 2 E CA C 2 54.300 54.905 -0.605
4069 10 . 1 1 2 2 E CB C 2 32.400 33.613 -1.213
4070 10 . 1 1 2 2 E H H 2 8.720 8.345 0.375
4071 10 . 1 1 3 3 M N N 3 122.600 121.288 1.312
4072 10 . 1 1 3 3 M HA H 3 5.120 4.926 0.194
4073 10 . 1 1 3 3 M C C 3 172.600 173.752 -1.152
4074 10 . 1 1 3 3 M CA C 3 54.600 54.434 0.166
4075 10 . 1 1 3 3 M CB C 3 37.000 35.812 1.188
4076 10 . 1 1 3 3 M H H 3 8.990 8.718 0.272
4077 10 . 1 1 4 4 D N N 4 126.300 125.642 0.658
4078 10 . 1 1 4 4 D HA H 4 5.650 4.997 0.653
4079 10 . 1 1 4 4 D C C 4 175.000 174.904 0.096
4080 10 . 1 1 4 4 D CA C 4 52.600 53.627 -1.027
4081 10 . 1 1 4 4 D CB C 4 41.800 41.466 0.334
4082 10 . 1 1 4 4 D H H 4 8.810 9.115 -0.305
4083 10 . 1 1 5 5 I N N 5 124.600 125.504 -0.904
4084 10 . 1 1 5 5 I HA H 5 4.470 4.956 -0.486
4085 10 . 1 1 5 5 I C C 5 173.600 175.243 -1.643
4086 10 . 1 1 5 5 I CA C 5 60.500 59.857 0.643
4087 10 . 1 1 5 5 I CB C 5 41.100 41.156 -0.056
4088 10 . 1 1 5 5 I H H 5 9.520 9.046 0.474
4089 10 . 1 1 6 6 R N N 6 127.500 123.376 4.124
4090 10 . 1 1 6 6 R HA H 6 5.410 5.174 0.236
4091 10 . 1 1 6 6 R C C 6 175.300 174.349 0.951
4092 10 . 1 1 6 6 R CA C 6 54.400 54.572 -0.172
4093 10 . 1 1 6 6 R CB C 6 32.500 33.409 -0.909
4094 10 . 1 1 6 6 R H H 6 8.970 9.093 -0.123
4095 10 . 1 1 7 7 F N N 7 125.400 122.905 2.495
4096 10 . 1 1 7 7 F HA H 7 5.720 5.023 0.697
4097 10 . 1 1 7 7 F C C 7 174.800 175.091 -0.291
4098 10 . 1 1 7 7 F CA C 7 56.000 57.438 -1.438
4099 10 . 1 1 7 7 F CB C 7 42.300 41.095 1.205
4100 10 . 1 1 7 7 F H H 7 9.530 9.287 0.243
4101 10 . 1 1 8 8 R N N 8 121.100 121.940 -0.840
4102 10 . 1 1 8 8 R HA H 8 5.700 5.307 0.393
4103 10 . 1 1 8 8 R C C 8 175.400 175.238 0.162
4104 10 . 1 1 8 8 R CA C 8 54.500 55.039 -0.539
4105 10 . 1 1 8 8 R CB C 8 33.800 33.689 0.111
4106 10 . 1 1 8 8 R H H 8 8.770 9.333 -0.563
4107 10 . 1 1 9 9 G N N 9 111.500 113.114 -1.614
4108 10 . 1 1 9 9 G C C 9 171.200 173.256 -2.056
4109 10 . 1 1 9 9 G CA C 9 45.200 45.859 -0.659
4110 10 . 1 1 9 9 G H H 9 8.630 8.428 0.202
4111 10 . 1 1 10 10 D N N 10 117.300 119.668 -2.368
4112 10 . 1 1 10 10 D HA H 10 4.710 4.809 -0.099
4113 10 . 1 1 10 10 D C C 10 175.300 176.150 -0.850
4114 10 . 1 1 10 10 D CA C 10 53.400 54.437 -1.037
4115 10 . 1 1 10 10 D CB C 10 41.400 42.872 -1.472
4116 10 . 1 1 10 10 D H H 10 8.230 8.565 -0.335
4117 10 . 1 1 11 11 D N N 11 119.000 119.186 -0.186
4118 10 . 1 1 11 11 D HA H 11 4.690 4.544 0.146
4119 10 . 1 1 11 11 D C C 11 175.500 176.168 -0.668
4120 10 . 1 1 11 11 D CA C 11 52.600 54.516 -1.916
4121 10 . 1 1 11 11 D CB C 11 41.500 41.273 0.227
4122 10 . 1 1 11 11 D H H 11 7.400 7.483 -0.083
4123 10 . 1 1 12 12 L N N 12 125.800 127.618 -1.818
4124 10 . 1 1 12 12 L HA H 12 3.850 4.034 -0.184
4125 10 . 1 1 12 12 L C C 12 179.100 178.630 0.470
4126 10 . 1 1 12 12 L CA C 12 57.800 58.375 -0.575
4127 10 . 1 1 12 12 L CB C 12 41.700 41.264 0.436
4128 10 . 1 1 12 12 L H H 12 8.520 8.782 -0.262
4129 10 . 1 1 13 13 E N N 13 119.800 118.378 1.422
4130 10 . 1 1 13 13 E HA H 13 3.980 4.000 -0.020
4131 10 . 1 1 13 13 E C C 13 178.600 178.817 -0.217
4132 10 . 1 1 13 13 E CA C 13 59.300 59.533 -0.233
4133 10 . 1 1 13 13 E CB C 13 29.100 29.191 -0.091
4134 10 . 1 1 13 13 E H H 13 8.140 8.482 -0.342
4135 10 . 1 1 14 14 A N N 14 122.200 122.204 -0.004
4136 10 . 1 1 14 14 A HA H 14 3.380 2.845 0.535
4137 10 . 1 1 14 14 A C C 14 179.300 178.882 0.418
4138 10 . 1 1 14 14 A CA C 14 54.400 54.110 0.290
4139 10 . 1 1 14 14 A CB C 14 18.700 17.482 1.218
4140 10 . 1 1 14 14 A H H 14 7.460 7.454 0.006
4141 10 . 1 1 15 15 F N N 15 115.400 119.778 -4.378
4142 10 . 1 1 15 15 F HA H 15 3.850 3.765 0.085
4143 10 . 1 1 15 15 F C C 15 177.000 176.675 0.325
4144 10 . 1 1 15 15 F CA C 15 57.700 61.336 -3.636
4145 10 . 1 1 15 15 F CB C 15 37.500 39.228 -1.728
4146 10 . 1 1 15 15 F H H 15 7.380 8.084 -0.704
4147 10 . 1 1 16 16 E N N 16 118.800 119.023 -0.223
4148 10 . 1 1 16 16 E HA H 16 3.660 3.749 -0.089
4149 10 . 1 1 16 16 E C C 16 178.700 178.611 0.089
4150 10 . 1 1 16 16 E CA C 16 59.800 59.355 0.445
4151 10 . 1 1 16 16 E CB C 16 29.100 28.735 0.365
4152 10 . 1 1 16 16 E H H 16 7.990 8.377 -0.387
4153 10 . 1 1 17 17 K N N 17 118.200 118.287 -0.087
4154 10 . 1 1 17 17 K HA H 17 3.780 3.996 -0.216
4155 10 . 1 1 17 17 K C C 17 179.000 178.452 0.548
4156 10 . 1 1 17 17 K CA C 17 59.600 59.427 0.173
4157 10 . 1 1 17 17 K CB C 17 32.400 32.431 -0.031
4158 10 . 1 1 17 17 K H H 17 7.550 7.834 -0.284
4159 10 . 1 1 18 18 A N N 18 122.400 121.247 1.153
4160 10 . 1 1 18 18 A HA H 18 3.890 3.913 -0.023
4161 10 . 1 1 18 18 A C C 18 178.900 179.457 -0.557
4162 10 . 1 1 18 18 A CA C 18 54.800 55.013 -0.213
4163 10 . 1 1 18 18 A CB C 18 17.100 18.630 -1.530
4164 10 . 1 1 18 18 A H H 18 8.060 7.533 0.527
4165 10 . 1 1 19 19 L N N 19 118.700 119.026 -0.326
4166 10 . 1 1 19 19 L HA H 19 3.690 3.848 -0.158
4167 10 . 1 1 19 19 L C C 19 177.700 178.226 -0.526
4168 10 . 1 1 19 19 L CA C 19 57.900 57.513 0.387
4169 10 . 1 1 19 19 L CB C 19 41.700 41.315 0.385
4170 10 . 1 1 19 19 L H H 19 8.280 7.372 0.908
4171 10 . 1 1 20 20 K N N 20 116.600 118.671 -2.071
4172 10 . 1 1 20 20 K HA H 20 3.780 3.738 0.042
4173 10 . 1 1 20 20 K C C 20 179.700 178.290 1.410
4174 10 . 1 1 20 20 K CA C 20 60.000 59.171 0.829
4175 10 . 1 1 20 20 K CB C 20 32.400 31.927 0.473
4176 10 . 1 1 20 20 K H H 20 7.760 7.778 -0.018
4177 10 . 1 1 21 21 E N N 21 118.700 118.944 -0.244
4178 10 . 1 1 21 21 E HA H 21 4.300 4.041 0.259
4179 10 . 1 1 21 21 E C C 21 178.500 178.753 -0.253
4180 10 . 1 1 21 21 E CA C 21 58.400 59.371 -0.971
4181 10 . 1 1 21 21 E CB C 21 29.100 28.919 0.181
4182 10 . 1 1 21 21 E H H 21 7.750 8.008 -0.258
4183 10 . 1 1 22 22 M N N 22 119.100 118.450 0.650
4184 10 . 1 1 22 22 M HA H 22 4.390 4.176 0.214
4185 10 . 1 1 22 22 M C C 22 178.800 178.764 0.036
4186 10 . 1 1 22 22 M CA C 22 57.300 58.597 -1.297
4187 10 . 1 1 22 22 M CB C 22 31.200 33.063 -1.863
4188 10 . 1 1 22 22 M H H 22 8.300 8.196 0.104
4189 10 . 1 1 23 23 I N N 23 120.200 119.393 0.807
4190 10 . 1 1 23 23 I HA H 23 3.550 3.631 -0.081
4191 10 . 1 1 23 23 I C C 23 177.600 177.935 -0.335
4192 10 . 1 1 23 23 I CA C 23 66.100 64.982 1.118
4193 10 . 1 1 23 23 I CB C 23 37.700 37.788 -0.088
4194 10 . 1 1 23 23 I H H 23 8.460 8.285 0.175
4195 10 . 1 1 24 24 R N N 24 120.200 120.695 -0.495
4196 10 . 1 1 24 24 R HA H 24 3.890 3.919 -0.029
4197 10 . 1 1 24 24 R C C 24 179.400 178.943 0.457
4198 10 . 1 1 24 24 R CA C 24 59.900 59.887 0.013
4199 10 . 1 1 24 24 R CB C 24 30.200 30.034 0.166
4200 10 . 1 1 24 24 R H H 24 7.720 8.218 -0.498
4201 10 . 1 1 25 25 Q N N 25 117.100 118.253 -1.153
4202 10 . 1 1 25 25 Q HA H 25 3.930 4.110 -0.180
4203 10 . 1 1 25 25 Q C C 25 177.600 179.277 -1.677
4204 10 . 1 1 25 25 Q CA C 25 58.000 58.790 -0.790
4205 10 . 1 1 25 25 Q CB C 25 27.800 28.606 -0.806
4206 10 . 1 1 25 25 Q H H 25 8.190 7.915 0.275
4207 10 . 1 1 26 26 A N N 26 120.300 122.229 -1.929
4208 10 . 1 1 26 26 A HA H 26 3.690 4.162 -0.472
4209 10 . 1 1 26 26 A C C 26 179.400 178.996 0.404
4210 10 . 1 1 26 26 A CA C 26 54.200 54.897 -0.697
4211 10 . 1 1 26 26 A CB C 26 18.300 18.260 0.040
4212 10 . 1 1 26 26 A H H 26 8.240 8.319 -0.079
4213 10 . 1 1 27 27 R N N 27 117.500 117.273 0.227
4214 10 . 1 1 27 27 R HA H 27 4.070 4.136 -0.066
4215 10 . 1 1 27 27 R C C 27 178.900 178.907 -0.007
4216 10 . 1 1 27 27 R CA C 27 58.500 58.587 -0.087
4217 10 . 1 1 27 27 R CB C 27 29.700 29.776 -0.076
4218 10 . 1 1 27 27 R H H 27 8.080 7.619 0.461
4219 10 . 1 1 28 28 K N N 28 119.100 118.085 1.015
4220 10 . 1 1 28 28 K HA H 28 4.000 4.057 -0.057
4221 10 . 1 1 28 28 K C C 28 176.900 177.046 -0.146
4222 10 . 1 1 28 28 K CA C 28 58.600 58.511 0.089
4223 10 . 1 1 28 28 K CB C 28 32.100 32.607 -0.507
4224 10 . 1 1 28 28 K H H 28 7.520 7.529 -0.009
4225 10 . 1 1 29 29 F N N 29 114.500 117.027 -2.527
4226 10 . 1 1 29 29 F HA H 29 4.930 4.760 0.170
4227 10 . 1 1 29 29 F C C 29 173.600 176.061 -2.461
4228 10 . 1 1 29 29 F CA C 29 55.800 57.912 -2.112
4229 10 . 1 1 29 29 F CB C 29 39.000 40.260 -1.260
4230 10 . 1 1 29 29 F H H 29 7.010 7.740 -0.730
4231 10 . 1 1 30 30 A N N 30 121.600 121.748 -0.148
4232 10 . 1 1 30 30 A HA H 30 4.130 4.611 -0.481
4233 10 . 1 1 30 30 A C C 30 176.700 177.809 -1.109
4234 10 . 1 1 30 30 A CA C 30 52.900 51.665 1.235
4235 10 . 1 1 30 30 A CB C 30 17.000 19.519 -2.519
4236 10 . 1 1 30 30 A H H 30 7.830 8.531 -0.701
4237 10 . 1 1 31 31 G N N 31 105.400 107.089 -1.689
4238 10 . 1 1 31 31 G C C 31 173.100 172.879 0.221
4239 10 . 1 1 31 31 G CA C 31 45.100 44.840 0.260
4240 10 . 1 1 31 31 G H H 31 7.950 7.959 -0.009
4241 10 . 1 1 32 32 T N N 32 115.700 115.435 0.265
4242 10 . 1 1 32 32 T HA H 32 4.580 5.001 -0.421
4243 10 . 1 1 32 32 T C C 32 173.100 173.365 -0.265
4244 10 . 1 1 32 32 T CA C 32 61.900 61.361 0.539
4245 10 . 1 1 32 32 T CB C 32 70.500 71.672 -1.172
4246 10 . 1 1 32 32 T H H 32 8.220 8.843 -0.623
4247 10 . 1 1 33 33 V N N 33 125.300 127.470 -2.170
4248 10 . 1 1 33 33 V HA H 33 5.150 4.845 0.305
4249 10 . 1 1 33 33 V C C 33 175.300 175.187 0.113
4250 10 . 1 1 33 33 V CA C 33 60.800 60.564 0.236
4251 10 . 1 1 33 33 V CB C 33 34.300 33.347 0.953
4252 10 . 1 1 33 33 V H H 33 8.610 8.961 -0.351
4253 10 . 1 1 34 34 T N N 34 120.200 121.934 -1.734
4254 10 . 1 1 34 34 T HA H 34 4.670 5.333 -0.663
4255 10 . 1 1 34 34 T CA C 34 60.200 59.093 1.107
4256 10 . 1 1 34 34 T CB C 34 71.600 72.512 -0.912
4257 10 . 1 1 34 34 T H H 34 8.890 9.074 -0.184
4258 10 . 1 1 35 35 Y N N 35 118.100 120.176 -2.076
4259 10 . 1 1 35 35 Y HA H 35 5.720 5.684 0.036
4260 10 . 1 1 35 35 Y C C 35 174.400 172.596 1.804
4261 10 . 1 1 35 35 Y CA C 35 56.200 56.141 0.059
4262 10 . 1 1 35 35 Y CB C 35 41.800 41.641 0.159
4263 10 . 1 1 35 35 Y H H 35 8.360 8.758 -0.398
4264 10 . 1 1 36 36 T N N 36 115.200 116.440 -1.240
4265 10 . 1 1 36 36 T HA H 36 4.400 5.124 -0.724
4266 10 . 1 1 36 36 T CA C 36 60.200 59.576 0.624
4267 10 . 1 1 36 36 T CB C 36 71.800 71.364 0.436
4268 10 . 1 1 36 36 T H H 36 9.020 9.083 -0.063
4269 10 . 1 1 37 37 L N N 37 129.300 129.583 -0.283
4270 10 . 1 1 37 37 L HA H 37 5.020 4.917 0.103
4271 10 . 1 1 37 37 L C C 37 174.900 175.438 -0.538
4272 10 . 1 1 37 37 L CA C 37 54.400 53.989 0.411
4273 10 . 1 1 37 37 L CB C 37 43.800 43.581 0.219
4274 10 . 1 1 37 37 L H H 37 8.850 8.959 -0.109
4275 10 . 1 1 38 38 D N N 38 127.200 124.445 2.755
4276 10 . 1 1 38 38 D HA H 38 4.850 4.863 -0.013
4277 10 . 1 1 38 38 D CA C 38 53.000 52.572 0.428
4278 10 . 1 1 38 38 D CB C 38 42.300 41.222 1.078
4279 10 . 1 1 38 38 D H H 38 8.740 9.062 -0.322
4280 10 . 1 1 39 39 G N N 39 114.000 115.375 -1.375
4281 10 . 1 1 39 39 G C C 39 174.000 174.570 -0.570
4282 10 . 1 1 39 39 G CA C 39 47.400 47.304 0.096
4283 10 . 1 1 39 39 G H H 39 8.700 8.948 -0.248
4284 10 . 1 1 40 40 N N N 40 124.400 122.994 1.406
4285 10 . 1 1 40 40 N HA H 40 5.070 4.819 0.251
4286 10 . 1 1 40 40 N C C 40 173.100 174.400 -1.300
4287 10 . 1 1 40 40 N CA C 40 53.200 52.381 0.819
4288 10 . 1 1 40 40 N CB C 40 39.300 38.767 0.533
4289 10 . 1 1 40 40 N H H 40 8.740 8.534 0.206
4290 10 . 1 1 41 41 D N N 41 118.500 120.034 -1.534
4291 10 . 1 1 41 41 D HA H 41 5.410 5.177 0.233
4292 10 . 1 1 41 41 D C C 41 173.600 174.432 -0.832
4293 10 . 1 1 41 41 D CA C 41 53.700 52.813 0.887
4294 10 . 1 1 41 41 D CB C 41 43.800 43.630 0.170
4295 10 . 1 1 41 41 D H H 41 7.980 7.940 0.040
4296 10 . 1 1 42 42 L N N 42 125.100 126.790 -1.690
4297 10 . 1 1 42 42 L HA H 42 4.960 5.137 -0.177
4298 10 . 1 1 42 42 L C C 42 173.600 175.105 -1.505
4299 10 . 1 1 42 42 L CA C 42 53.400 53.727 -0.327
4300 10 . 1 1 42 42 L CB C 42 43.700 44.073 -0.373
4301 10 . 1 1 42 42 L H H 42 8.520 9.358 -0.838
4302 10 . 1 1 43 43 E N N 43 127.800 126.309 1.491
4303 10 . 1 1 43 43 E HA H 43 5.280 4.829 0.451
4304 10 . 1 1 43 43 E C C 43 174.900 175.693 -0.793
4305 10 . 1 1 43 43 E CA C 43 54.500 56.090 -1.590
4306 10 . 1 1 43 43 E CB C 43 32.000 30.621 1.379
4307 10 . 1 1 43 43 E H H 43 8.990 8.991 -0.001
4308 10 . 1 1 44 44 I N N 44 126.300 126.632 -0.332
4309 10 . 1 1 44 44 I HA H 44 4.760 4.985 -0.225
4310 10 . 1 1 44 44 I C C 44 173.800 174.203 -0.403
4311 10 . 1 1 44 44 I CA C 44 60.000 60.469 -0.469
4312 10 . 1 1 44 44 I CB C 44 41.200 39.050 2.150
4313 10 . 1 1 44 44 I H H 44 9.590 9.545 0.045
4314 10 . 1 1 45 45 R N N 45 127.800 129.190 -1.390
4315 10 . 1 1 45 45 R HA H 45 5.250 5.100 0.150
4316 10 . 1 1 45 45 R C C 45 175.300 174.860 0.440
4317 10 . 1 1 45 45 R CA C 45 55.000 54.890 0.110
4318 10 . 1 1 45 45 R CB C 45 31.700 32.395 -0.695
4319 10 . 1 1 45 45 R H H 45 9.130 9.381 -0.251
4320 10 . 1 1 46 46 I N N 46 125.800 128.072 -2.272
4321 10 . 1 1 46 46 I HA H 46 5.150 4.949 0.201
4322 10 . 1 1 46 46 I C C 46 175.600 174.965 0.635
4323 10 . 1 1 46 46 I CA C 46 60.100 60.124 -0.024
4324 10 . 1 1 46 46 I CB C 46 39.900 39.773 0.127
4325 10 . 1 1 46 46 I H H 46 9.180 9.183 -0.003
4326 10 . 1 1 47 47 T N N 47 118.800 120.736 -1.936
4327 10 . 1 1 47 47 T HA H 47 5.010 4.862 0.148
4328 10 . 1 1 47 47 T C C 47 174.300 174.856 -0.556
4329 10 . 1 1 47 47 T CA C 47 60.100 61.160 -1.060
4330 10 . 1 1 47 47 T CB C 47 70.900 71.531 -0.631
4331 10 . 1 1 47 47 T H H 47 9.020 8.749 0.271
4332 10 . 1 1 48 48 G N N 48 109.000 114.712 -5.712
4333 10 . 1 1 48 48 G C C 48 174.700 173.755 0.945
4334 10 . 1 1 48 48 G CA C 48 46.200 46.751 -0.551
4335 10 . 1 1 48 48 G H H 48 8.350 8.766 -0.416
4336 10 . 1 1 49 49 V N N 49 114.200 113.608 0.592
4337 10 . 1 1 49 49 V HA H 49 4.260 4.755 -0.495
4338 10 . 1 1 49 49 V CA C 49 58.200 58.005 0.195
4339 10 . 1 1 49 49 V CB C 49 32.500 34.353 -1.853
4340 10 . 1 1 49 49 V H H 49 7.760 7.452 0.308
4341 10 . 1 1 50 50 P HA H 50 4.580 4.669 -0.089
4342 10 . 1 1 50 50 P C C 50 177.200 177.487 -0.287
4343 10 . 1 1 50 50 P CA C 50 61.800 61.845 -0.045
4344 10 . 1 1 50 50 P CB C 50 32.500 32.904 -0.404
4345 10 . 1 1 51 51 E N N 51 123.400 121.242 2.158
4346 10 . 1 1 51 51 E HA H 51 4.000 4.003 -0.003
4347 10 . 1 1 51 51 E C C 51 178.500 178.662 -0.162
4348 10 . 1 1 51 51 E CA C 51 59.500 59.682 -0.182
4349 10 . 1 1 51 51 E CB C 51 29.300 29.232 0.068
4350 10 . 1 1 51 51 E H H 51 8.890 8.669 0.221
4351 10 . 1 1 52 52 Q N N 52 115.200 118.816 -3.616
4352 10 . 1 1 52 52 Q HA H 52 4.100 4.051 0.049
4353 10 . 1 1 52 52 Q C C 52 177.300 177.932 -0.632
4354 10 . 1 1 52 52 Q CA C 52 58.600 58.374 0.226
4355 10 . 1 1 52 52 Q CB C 52 27.700 28.501 -0.801
4356 10 . 1 1 52 52 Q H H 52 8.910 8.190 0.720
4357 10 . 1 1 53 53 V N N 53 114.900 121.068 -6.168
4358 10 . 1 1 53 53 V HA H 53 4.120 3.550 0.570
4359 10 . 1 1 53 53 V C C 53 176.100 177.493 -1.393
4360 10 . 1 1 53 53 V CA C 53 62.100 66.387 -4.287
4361 10 . 1 1 53 53 V CB C 53 31.900 31.031 0.869
4362 10 . 1 1 53 53 V H H 53 7.080 7.622 -0.542
4363 10 . 1 1 54 54 R N N 54 121.500 120.027 1.473
4364 10 . 1 1 54 54 R HA H 54 3.620 3.870 -0.250
4365 10 . 1 1 54 54 R C C 54 177.100 178.789 -1.689
4366 10 . 1 1 54 54 R CA C 54 60.400 59.782 0.618
4367 10 . 1 1 54 54 R CB C 54 29.700 29.785 -0.085
4368 10 . 1 1 54 54 R H H 54 7.510 8.017 -0.507
4369 10 . 1 1 55 55 K N N 55 116.800 117.717 -0.917
4370 10 . 1 1 55 55 K HA H 55 3.890 3.978 -0.088
4371 10 . 1 1 55 55 K C C 55 176.000 180.067 -4.067
4372 10 . 1 1 55 55 K CA C 55 59.600 59.889 -0.289
4373 10 . 1 1 55 55 K CB C 55 31.800 32.084 -0.284
4374 10 . 1 1 55 55 K H H 55 8.170 7.503 0.667
4375 10 . 1 1 56 56 E N N 56 120.200 120.593 -0.393
4376 10 . 1 1 56 56 E HA H 56 4.050 4.013 0.037
4377 10 . 1 1 56 56 E CA C 56 59.100 58.906 0.194
4378 10 . 1 1 56 56 E CB C 56 29.200 29.621 -0.421
4379 10 . 1 1 56 56 E H H 56 7.600 8.005 -0.405
4380 10 . 1 1 57 57 L N N 57 120.200 120.546 -0.346
4381 10 . 1 1 57 57 L HA H 57 3.970 3.960 0.010
4382 10 . 1 1 57 57 L C C 57 178.300 178.580 -0.280
4383 10 . 1 1 57 57 L CA C 57 57.700 57.912 -0.212
4384 10 . 1 1 57 57 L CB C 57 42.000 41.663 0.337
4385 10 . 1 1 57 57 L H H 57 7.980 8.375 -0.395
4386 10 . 1 1 58 58 A N N 58 120.600 121.571 -0.971
4387 10 . 1 1 58 58 A HA H 58 3.400 3.892 -0.492
4388 10 . 1 1 58 58 A C C 58 178.600 178.619 -0.019
4389 10 . 1 1 58 58 A CA C 58 55.200 55.355 -0.155
4390 10 . 1 1 58 58 A CB C 58 17.600 18.782 -1.182
4391 10 . 1 1 58 58 A H H 58 7.820 8.375 -0.555
4392 10 . 1 1 59 59 K N N 59 116.600 118.722 -2.122
4393 10 . 1 1 59 59 K HA H 59 3.990 3.842 0.148
4394 10 . 1 1 59 59 K C C 59 179.900 177.684 2.216
4395 10 . 1 1 59 59 K CA C 59 59.400 60.026 -0.626
4396 10 . 1 1 59 59 K CB C 59 32.000 32.365 -0.365
4397 10 . 1 1 59 59 K H H 59 7.630 8.051 -0.421
4398 10 . 1 1 60 60 E N N 60 120.700 118.803 1.897
4399 10 . 1 1 60 60 E HA H 60 4.390 4.133 0.257
4400 10 . 1 1 60 60 E C C 60 178.100 178.290 -0.190
4401 10 . 1 1 60 60 E CA C 60 58.100 59.433 -1.333
4402 10 . 1 1 60 60 E CB C 60 28.800 29.585 -0.785
4403 10 . 1 1 60 60 E H H 60 7.950 7.879 0.071
4404 10 . 1 1 61 61 A N N 61 122.400 121.560 0.840
4405 10 . 1 1 61 61 A HA H 61 4.160 4.360 -0.200
4406 10 . 1 1 61 61 A C C 61 179.100 180.364 -1.264
4407 10 . 1 1 61 61 A CA C 61 56.000 55.292 0.708
4408 10 . 1 1 61 61 A CB C 61 17.300 18.167 -0.867
4409 10 . 1 1 61 61 A H H 61 8.300 8.443 -0.143
4410 10 . 1 1 62 62 E N N 62 115.600 117.966 -2.366
4411 10 . 1 1 62 62 E HA H 62 4.040 4.090 -0.050
4412 10 . 1 1 62 62 E C C 62 179.200 179.234 -0.034
4413 10 . 1 1 62 62 E CA C 62 59.200 59.565 -0.365
4414 10 . 1 1 62 62 E CB C 62 29.300 29.181 0.119
4415 10 . 1 1 62 62 E H H 62 8.100 8.332 -0.232
4416 10 . 1 1 63 63 R N N 63 122.800 120.947 1.853
4417 10 . 1 1 63 63 R HA H 63 4.040 4.245 -0.205
4418 10 . 1 1 63 63 R C C 63 179.100 178.980 0.120
4419 10 . 1 1 63 63 R CA C 63 59.600 58.446 1.154
4420 10 . 1 1 63 63 R CB C 63 29.800 29.948 -0.148
4421 10 . 1 1 63 63 R H H 63 8.250 8.013 0.237
4422 10 . 1 1 64 64 L N N 64 120.800 120.165 0.635
4423 10 . 1 1 64 64 L HA H 64 3.870 4.110 -0.240
4424 10 . 1 1 64 64 L C C 64 178.200 179.286 -1.086
4425 10 . 1 1 64 64 L CA C 64 57.500 58.071 -0.571
4426 10 . 1 1 64 64 L CB C 64 42.300 41.724 0.576
4427 10 . 1 1 64 64 L H H 64 8.460 8.484 -0.024
4428 10 . 1 1 65 65 A N N 65 120.200 121.969 -1.769
4429 10 . 1 1 65 65 A HA H 65 4.050 4.399 -0.349
4430 10 . 1 1 65 65 A C C 65 179.500 179.923 -0.423
4431 10 . 1 1 65 65 A CA C 65 55.200 55.819 -0.619
4432 10 . 1 1 65 65 A CB C 65 17.900 18.634 -0.734
4433 10 . 1 1 65 65 A H H 65 8.190 8.568 -0.378
4434 10 . 1 1 66 66 K N N 66 116.500 117.247 -0.747
4435 10 . 1 1 66 66 K HA H 66 4.190 4.035 0.155
4436 10 . 1 1 66 66 K C C 66 178.800 179.053 -0.253
4437 10 . 1 1 66 66 K CA C 66 58.900 59.913 -1.013
4438 10 . 1 1 66 66 K CB C 66 32.300 32.327 -0.027
4439 10 . 1 1 66 66 K H H 66 7.700 7.973 -0.273
4440 10 . 1 1 67 67 E N N 67 120.200 119.011 1.189
4441 10 . 1 1 67 67 E HA H 67 3.840 3.951 -0.111
4442 10 . 1 1 67 67 E C C 67 178.000 177.499 0.501
4443 10 . 1 1 67 67 E CA C 67 59.100 58.647 0.453
4444 10 . 1 1 67 67 E CB C 67 29.300 29.201 0.099
4445 10 . 1 1 67 67 E H H 67 8.270 8.170 0.100
4446 10 . 1 1 68 68 F N N 68 113.400 114.372 -0.972
4447 10 . 1 1 68 68 F HA H 68 4.760 4.690 0.070
4448 10 . 1 1 68 68 F C C 68 174.400 174.659 -0.259
4449 10 . 1 1 68 68 F CA C 68 56.300 57.194 -0.894
4450 10 . 1 1 68 68 F CB C 68 39.400 38.718 0.682
4451 10 . 1 1 68 68 F H H 68 7.800 7.549 0.251
4452 10 . 1 1 69 69 N N N 69 118.200 113.551 4.649
4453 10 . 1 1 69 69 N HA H 69 4.510 4.412 0.098
4454 10 . 1 1 69 69 N CA C 69 54.200 54.398 -0.198
4455 10 . 1 1 69 69 N CB C 69 37.000 37.585 -0.585
4456 10 . 1 1 69 69 N H H 69 7.950 8.168 -0.218
4457 10 . 1 1 70 70 I N N 70 113.900 116.196 -2.296
4458 10 . 1 1 70 70 I HA H 70 4.950 4.461 0.489
4459 10 . 1 1 70 70 I CA C 70 59.800 59.631 0.169
4460 10 . 1 1 70 70 I CB C 70 40.000 39.481 0.519
4461 10 . 1 1 70 70 I H H 70 8.480 7.863 0.617
4462 10 . 1 1 71 71 T N N 71 113.600 119.043 -5.443
4463 10 . 1 1 71 71 T HA H 71 4.820 4.856 -0.036
4464 10 . 1 1 71 71 T C C 71 173.500 174.073 -0.573
4465 10 . 1 1 71 71 T CA C 71 61.500 62.129 -0.629
4466 10 . 1 1 71 71 T CB C 71 71.200 70.767 0.433
4467 10 . 1 1 71 71 T H H 71 8.520 8.705 -0.185
4468 10 . 1 1 72 72 V N N 72 122.600 121.934 0.666
4469 10 . 1 1 72 72 V HA H 72 5.330 4.874 0.456
4470 10 . 1 1 72 72 V C C 72 173.200 173.775 -0.575
4471 10 . 1 1 72 72 V CA C 72 59.200 60.356 -1.156
4472 10 . 1 1 72 72 V CB C 72 35.800 34.958 0.842
4473 10 . 1 1 72 72 V H H 72 8.720 8.469 0.251
4474 10 . 1 1 73 73 T N N 73 119.300 118.718 0.582
4475 10 . 1 1 73 73 T HA H 73 4.410 5.164 -0.754
4476 10 . 1 1 73 73 T CA C 73 60.100 59.244 0.856
4477 10 . 1 1 73 73 T CB C 73 71.800 72.054 -0.254
4478 10 . 1 1 73 73 T H H 73 8.430 8.569 -0.139
4479 10 . 1 1 74 74 Y N N 74 118.100 118.533 -0.433
4480 10 . 1 1 74 74 Y HA H 74 5.530 5.780 -0.250
4481 10 . 1 1 74 74 Y CA C 74 55.900 55.601 0.299
4482 10 . 1 1 74 74 Y CB C 74 41.600 41.506 0.094
4483 10 . 1 1 74 74 Y H H 74 8.120 8.496 -0.376
4484 10 . 1 1 75 75 T N N 75 115.000 118.735 -3.735
4485 10 . 1 1 75 75 T HA H 75 4.590 4.840 -0.250
4486 10 . 1 1 75 75 T CA C 75 60.700 61.749 -1.049
4487 10 . 1 1 75 75 T CB C 75 71.700 70.162 1.538
4488 10 . 1 1 75 75 T H H 75 8.810 9.114 -0.304
4489 10 . 1 1 76 76 I N N 76 124.400 126.864 -2.464
4490 10 . 1 1 76 76 I HA H 76 4.800 4.805 -0.005
4491 10 . 1 1 76 76 I C C 76 175.300 175.236 0.064
4492 10 . 1 1 76 76 I CA C 76 59.900 59.817 0.083
4493 10 . 1 1 76 76 I CB C 76 39.500 40.135 -0.635
4494 10 . 1 1 76 76 I H H 76 8.650 9.065 -0.415
4495 10 . 1 1 77 77 R N N 77 125.900 124.028 1.872
4496 10 . 1 1 77 77 R HA H 77 4.570 5.073 -0.503
4497 10 . 1 1 77 77 R CA C 77 55.100 54.627 0.473
4498 10 . 1 1 77 77 R CB C 77 32.500 33.786 -1.286
4499 10 . 1 1 77 77 R H H 77 8.680 8.686 -0.006
4500 10 . 1 1 78 78 L N N 78 124.400 120.610 3.790
4501 10 . 1 1 78 78 L HA H 78 4.320 5.003 -0.683
4502 10 . 1 1 78 78 L C C 78 177.000 176.446 0.554
4503 10 . 1 1 78 78 L CA C 78 55.200 52.641 2.559
4504 10 . 1 1 78 78 L CB C 78 42.200 44.721 -2.521
4505 10 . 1 1 78 78 L H H 78 8.500 8.728 -0.228
4506 10 . 1 1 79 79 E N N 79 121.300 121.014 0.286
4507 10 . 1 1 79 79 E HA H 79 4.150 4.379 -0.229
4508 10 . 1 1 79 79 E C C 79 173.700 175.942 -2.242
4509 10 . 1 1 79 79 E CA C 79 55.400 56.603 -1.203
4510 10 . 1 1 79 79 E CB C 79 30.100 30.134 -0.034
4511 10 . 1 1 79 79 E H H 79 8.310 8.463 -0.153
4512 10 . 1 1 80 80 H N N 80 125.300 123.397 1.903
4513 10 . 1 1 80 80 H HA H 80 4.580 4.705 -0.125
4514 10 . 1 1 80 80 H CA C 80 57.100 55.281 1.819
4515 10 . 1 1 80 80 H CB C 80 30.300 29.176 1.124
4516 10 . 1 1 80 80 H H H 80 8.090 8.307 -0.217
4517 11 . 1 1 2 2 E N N 2 121.100 126.681 -5.581
4518 11 . 1 1 2 2 E HA H 2 5.260 4.798 0.462
4519 11 . 1 1 2 2 E C C 2 174.300 175.395 -1.095
4520 11 . 1 1 2 2 E CA C 2 54.300 55.738 -1.438
4521 11 . 1 1 2 2 E CB C 2 32.400 31.602 0.798
4522 11 . 1 1 2 2 E H H 2 8.720 8.892 -0.172
4523 11 . 1 1 3 3 M N N 3 122.600 122.327 0.273
4524 11 . 1 1 3 3 M HA H 3 5.120 5.032 0.088
4525 11 . 1 1 3 3 M C C 3 172.600 174.164 -1.564
4526 11 . 1 1 3 3 M CA C 3 54.600 54.005 0.595
4527 11 . 1 1 3 3 M CB C 3 37.000 34.861 2.139
4528 11 . 1 1 3 3 M H H 3 8.990 8.742 0.248
4529 11 . 1 1 4 4 D N N 4 126.300 127.031 -0.731
4530 11 . 1 1 4 4 D HA H 4 5.650 5.214 0.436
4531 11 . 1 1 4 4 D C C 4 175.000 175.509 -0.509
4532 11 . 1 1 4 4 D CA C 4 52.600 53.722 -1.122
4533 11 . 1 1 4 4 D CB C 4 41.800 42.155 -0.355
4534 11 . 1 1 4 4 D H H 4 8.810 8.996 -0.186
4535 11 . 1 1 5 5 I N N 5 124.600 124.248 0.352
4536 11 . 1 1 5 5 I HA H 5 4.470 4.845 -0.375
4537 11 . 1 1 5 5 I C C 5 173.600 174.926 -1.326
4538 11 . 1 1 5 5 I CA C 5 60.500 59.279 1.221
4539 11 . 1 1 5 5 I CB C 5 41.100 41.859 -0.759
4540 11 . 1 1 5 5 I H H 5 9.520 8.963 0.557
4541 11 . 1 1 6 6 R N N 6 127.500 124.954 2.546
4542 11 . 1 1 6 6 R HA H 6 5.410 5.375 0.035
4543 11 . 1 1 6 6 R C C 6 175.300 174.895 0.405
4544 11 . 1 1 6 6 R CA C 6 54.400 54.485 -0.085
4545 11 . 1 1 6 6 R CB C 6 32.500 32.184 0.316
4546 11 . 1 1 6 6 R H H 6 8.970 8.370 0.600
4547 11 . 1 1 7 7 F N N 7 125.400 123.440 1.960
4548 11 . 1 1 7 7 F HA H 7 5.720 4.944 0.776
4549 11 . 1 1 7 7 F C C 7 174.800 174.826 -0.026
4550 11 . 1 1 7 7 F CA C 7 56.000 57.661 -1.661
4551 11 . 1 1 7 7 F CB C 7 42.300 40.568 1.732
4552 11 . 1 1 7 7 F H H 7 9.530 8.922 0.608
4553 11 . 1 1 8 8 R N N 8 121.100 123.909 -2.809
4554 11 . 1 1 8 8 R HA H 8 5.700 5.537 0.163
4555 11 . 1 1 8 8 R C C 8 175.400 175.750 -0.350
4556 11 . 1 1 8 8 R CA C 8 54.500 54.823 -0.323
4557 11 . 1 1 8 8 R CB C 8 33.800 34.093 -0.293
4558 11 . 1 1 8 8 R H H 8 8.770 9.388 -0.618
4559 11 . 1 1 9 9 G N N 9 111.500 112.569 -1.069
4560 11 . 1 1 9 9 G C C 9 171.200 173.356 -2.156
4561 11 . 1 1 9 9 G CA C 9 45.200 45.939 -0.739
4562 11 . 1 1 9 9 G H H 9 8.630 8.429 0.201
4563 11 . 1 1 10 10 D N N 10 117.300 120.740 -3.440
4564 11 . 1 1 10 10 D HA H 10 4.710 4.822 -0.112
4565 11 . 1 1 10 10 D C C 10 175.300 174.810 0.490
4566 11 . 1 1 10 10 D CA C 10 53.400 53.791 -0.391
4567 11 . 1 1 10 10 D CB C 10 41.400 41.917 -0.517
4568 11 . 1 1 10 10 D H H 10 8.230 8.478 -0.248
4569 11 . 1 1 11 11 D N N 11 119.000 119.118 -0.118
4570 11 . 1 1 11 11 D HA H 11 4.690 4.951 -0.261
4571 11 . 1 1 11 11 D C C 11 175.500 175.744 -0.244
4572 11 . 1 1 11 11 D CA C 11 52.600 52.938 -0.338
4573 11 . 1 1 11 11 D CB C 11 41.500 42.853 -1.353
4574 11 . 1 1 11 11 D H H 11 7.400 7.350 0.050
4575 11 . 1 1 12 12 L N N 12 125.800 126.585 -0.785
4576 11 . 1 1 12 12 L HA H 12 3.850 4.111 -0.261
4577 11 . 1 1 12 12 L C C 12 179.100 178.632 0.468
4578 11 . 1 1 12 12 L CA C 12 57.800 58.099 -0.299
4579 11 . 1 1 12 12 L CB C 12 41.700 41.558 0.142
4580 11 . 1 1 12 12 L H H 12 8.520 8.555 -0.035
4581 11 . 1 1 13 13 E N N 13 119.800 117.884 1.916
4582 11 . 1 1 13 13 E HA H 13 3.980 3.940 0.040
4583 11 . 1 1 13 13 E C C 13 178.600 179.225 -0.625
4584 11 . 1 1 13 13 E CA C 13 59.300 59.229 0.071
4585 11 . 1 1 13 13 E CB C 13 29.100 28.829 0.271
4586 11 . 1 1 13 13 E H H 13 8.140 8.117 0.023
4587 11 . 1 1 14 14 A N N 14 122.200 122.371 -0.171
4588 11 . 1 1 14 14 A HA H 14 3.380 3.060 0.320
4589 11 . 1 1 14 14 A C C 14 179.300 179.014 0.286
4590 11 . 1 1 14 14 A CA C 14 54.400 54.262 0.138
4591 11 . 1 1 14 14 A CB C 14 18.700 17.749 0.951
4592 11 . 1 1 14 14 A H H 14 7.460 7.736 -0.276
4593 11 . 1 1 15 15 F N N 15 115.400 115.247 0.153
4594 11 . 1 1 15 15 F HA H 15 3.850 4.046 -0.196
4595 11 . 1 1 15 15 F C C 15 177.000 178.134 -1.134
4596 11 . 1 1 15 15 F CA C 15 57.700 61.642 -3.942
4597 11 . 1 1 15 15 F CB C 15 37.500 38.372 -0.872
4598 11 . 1 1 15 15 F H H 15 7.380 7.236 0.144
4599 11 . 1 1 16 16 E N N 16 118.800 119.839 -1.039
4600 11 . 1 1 16 16 E HA H 16 3.660 3.823 -0.163
4601 11 . 1 1 16 16 E C C 16 178.700 178.839 -0.139
4602 11 . 1 1 16 16 E CA C 16 59.800 59.537 0.263
4603 11 . 1 1 16 16 E CB C 16 29.100 29.465 -0.365
4604 11 . 1 1 16 16 E H H 16 7.990 8.021 -0.031
4605 11 . 1 1 17 17 K N N 17 118.200 119.713 -1.513
4606 11 . 1 1 17 17 K HA H 17 3.780 4.014 -0.234
4607 11 . 1 1 17 17 K C C 17 179.000 178.983 0.017
4608 11 . 1 1 17 17 K CA C 17 59.600 59.432 0.168
4609 11 . 1 1 17 17 K CB C 17 32.400 32.428 -0.028
4610 11 . 1 1 17 17 K H H 17 7.550 8.180 -0.630
4611 11 . 1 1 18 18 A N N 18 122.400 122.026 0.374
4612 11 . 1 1 18 18 A HA H 18 3.890 3.996 -0.106
4613 11 . 1 1 18 18 A C C 18 178.900 179.817 -0.917
4614 11 . 1 1 18 18 A CA C 18 54.800 54.960 -0.160
4615 11 . 1 1 18 18 A CB C 18 17.100 17.369 -0.269
4616 11 . 1 1 18 18 A H H 18 8.060 7.551 0.509
4617 11 . 1 1 19 19 L N N 19 118.700 119.415 -0.715
4618 11 . 1 1 19 19 L HA H 19 3.690 3.958 -0.268
4619 11 . 1 1 19 19 L C C 19 177.700 178.363 -0.663
4620 11 . 1 1 19 19 L CA C 19 57.900 57.659 0.241
4621 11 . 1 1 19 19 L CB C 19 41.700 41.312 0.388
4622 11 . 1 1 19 19 L H H 19 8.280 7.958 0.322
4623 11 . 1 1 20 20 K N N 20 116.600 118.548 -1.948
4624 11 . 1 1 20 20 K HA H 20 3.780 3.900 -0.120
4625 11 . 1 1 20 20 K C C 20 179.700 178.718 0.982
4626 11 . 1 1 20 20 K CA C 20 60.000 59.756 0.244
4627 11 . 1 1 20 20 K CB C 20 32.400 32.489 -0.089
4628 11 . 1 1 20 20 K H H 20 7.760 8.277 -0.517
4629 11 . 1 1 21 21 E N N 21 118.700 119.361 -0.661
4630 11 . 1 1 21 21 E HA H 21 4.300 4.029 0.271
4631 11 . 1 1 21 21 E C C 21 178.500 179.802 -1.302
4632 11 . 1 1 21 21 E CA C 21 58.400 59.526 -1.126
4633 11 . 1 1 21 21 E CB C 21 29.100 29.590 -0.490
4634 11 . 1 1 21 21 E H H 21 7.750 8.224 -0.474
4635 11 . 1 1 22 22 M N N 22 119.100 119.135 -0.035
4636 11 . 1 1 22 22 M HA H 22 4.390 4.236 0.154
4637 11 . 1 1 22 22 M C C 22 178.800 179.062 -0.262
4638 11 . 1 1 22 22 M CA C 22 57.300 58.801 -1.501
4639 11 . 1 1 22 22 M CB C 22 31.200 33.143 -1.943
4640 11 . 1 1 22 22 M H H 22 8.300 8.155 0.145
4641 11 . 1 1 23 23 I N N 23 120.200 119.337 0.863
4642 11 . 1 1 23 23 I HA H 23 3.550 3.700 -0.150
4643 11 . 1 1 23 23 I C C 23 177.600 177.944 -0.344
4644 11 . 1 1 23 23 I CA C 23 66.100 64.124 1.976
4645 11 . 1 1 23 23 I CB C 23 37.700 36.962 0.738
4646 11 . 1 1 23 23 I H H 23 8.460 8.225 0.235
4647 11 . 1 1 24 24 R N N 24 120.200 120.737 -0.537
4648 11 . 1 1 24 24 R HA H 24 3.890 3.850 0.040
4649 11 . 1 1 24 24 R C C 24 179.400 178.846 0.554
4650 11 . 1 1 24 24 R CA C 24 59.900 59.969 -0.069
4651 11 . 1 1 24 24 R CB C 24 30.200 29.913 0.287
4652 11 . 1 1 24 24 R H H 24 7.720 8.463 -0.743
4653 11 . 1 1 25 25 Q N N 25 117.100 118.220 -1.120
4654 11 . 1 1 25 25 Q HA H 25 3.930 4.036 -0.106
4655 11 . 1 1 25 25 Q C C 25 177.600 178.547 -0.947
4656 11 . 1 1 25 25 Q CA C 25 58.000 58.712 -0.712
4657 11 . 1 1 25 25 Q CB C 25 27.800 28.320 -0.520
4658 11 . 1 1 25 25 Q H H 25 8.190 7.902 0.288
4659 11 . 1 1 26 26 A N N 26 120.300 122.839 -2.539
4660 11 . 1 1 26 26 A HA H 26 3.690 4.466 -0.776
4661 11 . 1 1 26 26 A C C 26 179.400 180.114 -0.714
4662 11 . 1 1 26 26 A CA C 26 54.200 55.230 -1.030
4663 11 . 1 1 26 26 A CB C 26 18.300 18.483 -0.183
4664 11 . 1 1 26 26 A H H 26 8.240 8.567 -0.327
4665 11 . 1 1 27 27 R N N 27 117.500 117.666 -0.166
4666 11 . 1 1 27 27 R HA H 27 4.070 4.127 -0.057
4667 11 . 1 1 27 27 R C C 27 178.900 178.874 0.026
4668 11 . 1 1 27 27 R CA C 27 58.500 59.488 -0.988
4669 11 . 1 1 27 27 R CB C 27 29.700 29.965 -0.265
4670 11 . 1 1 27 27 R H H 27 8.080 8.097 -0.017
4671 11 . 1 1 28 28 K N N 28 119.100 117.379 1.721
4672 11 . 1 1 28 28 K HA H 28 4.000 4.103 -0.103
4673 11 . 1 1 28 28 K C C 28 176.900 176.878 0.022
4674 11 . 1 1 28 28 K CA C 28 58.600 58.191 0.409
4675 11 . 1 1 28 28 K CB C 28 32.100 32.542 -0.442
4676 11 . 1 1 28 28 K H H 28 7.520 7.541 -0.021
4677 11 . 1 1 29 29 F N N 29 114.500 117.636 -3.136
4678 11 . 1 1 29 29 F HA H 29 4.930 4.787 0.143
4679 11 . 1 1 29 29 F C C 29 173.600 175.287 -1.687
4680 11 . 1 1 29 29 F CA C 29 55.800 57.643 -1.843
4681 11 . 1 1 29 29 F CB C 29 39.000 40.740 -1.740
4682 11 . 1 1 29 29 F H H 29 7.010 7.611 -0.601
4683 11 . 1 1 30 30 A N N 30 121.600 125.869 -4.269
4684 11 . 1 1 30 30 A HA H 30 4.130 4.446 -0.316
4685 11 . 1 1 30 30 A C C 30 176.700 176.675 0.025
4686 11 . 1 1 30 30 A CA C 30 52.900 51.598 1.302
4687 11 . 1 1 30 30 A CB C 30 17.000 17.564 -0.564
4688 11 . 1 1 30 30 A H H 30 7.830 8.686 -0.856
4689 11 . 1 1 31 31 G N N 31 105.400 109.075 -3.675
4690 11 . 1 1 31 31 G C C 31 173.100 171.755 1.345
4691 11 . 1 1 31 31 G CA C 31 45.100 46.050 -0.950
4692 11 . 1 1 31 31 G H H 31 7.950 8.176 -0.226
4693 11 . 1 1 32 32 T N N 32 115.700 115.443 0.257
4694 11 . 1 1 32 32 T HA H 32 4.580 5.070 -0.490
4695 11 . 1 1 32 32 T C C 32 173.100 173.613 -0.513
4696 11 . 1 1 32 32 T CA C 32 61.900 61.530 0.370
4697 11 . 1 1 32 32 T CB C 32 70.500 71.695 -1.195
4698 11 . 1 1 32 32 T H H 32 8.220 8.523 -0.303
4699 11 . 1 1 33 33 V N N 33 125.300 126.671 -1.371
4700 11 . 1 1 33 33 V HA H 33 5.150 5.020 0.130
4701 11 . 1 1 33 33 V C C 33 175.300 174.732 0.568
4702 11 . 1 1 33 33 V CA C 33 60.800 60.808 -0.008
4703 11 . 1 1 33 33 V CB C 33 34.300 33.882 0.418
4704 11 . 1 1 33 33 V H H 33 8.610 8.784 -0.174
4705 11 . 1 1 34 34 T N N 34 120.200 121.261 -1.061
4706 11 . 1 1 34 34 T HA H 34 4.670 5.170 -0.500
4707 11 . 1 1 34 34 T CA C 34 60.200 60.144 0.056
4708 11 . 1 1 34 34 T CB C 34 71.600 71.360 0.240
4709 11 . 1 1 34 34 T H H 34 8.890 8.648 0.242
4710 11 . 1 1 35 35 Y N N 35 118.100 120.362 -2.262
4711 11 . 1 1 35 35 Y HA H 35 5.720 5.645 0.075
4712 11 . 1 1 35 35 Y C C 35 174.400 172.397 2.003
4713 11 . 1 1 35 35 Y CA C 35 56.200 56.138 0.062
4714 11 . 1 1 35 35 Y CB C 35 41.800 41.339 0.461
4715 11 . 1 1 35 35 Y H H 35 8.360 8.653 -0.293
4716 11 . 1 1 36 36 T N N 36 115.200 115.199 0.001
4717 11 . 1 1 36 36 T HA H 36 4.400 5.093 -0.693
4718 11 . 1 1 36 36 T CA C 36 60.200 59.982 0.218
4719 11 . 1 1 36 36 T CB C 36 71.800 71.753 0.047
4720 11 . 1 1 36 36 T H H 36 9.020 9.064 -0.044
4721 11 . 1 1 37 37 L N N 37 129.300 128.832 0.468
4722 11 . 1 1 37 37 L HA H 37 5.020 5.122 -0.102
4723 11 . 1 1 37 37 L C C 37 174.900 174.026 0.874
4724 11 . 1 1 37 37 L CA C 37 54.400 53.414 0.986
4725 11 . 1 1 37 37 L CB C 37 43.800 45.785 -1.985
4726 11 . 1 1 37 37 L H H 37 8.850 9.145 -0.295
4727 11 . 1 1 38 38 D N N 38 127.200 126.325 0.875
4728 11 . 1 1 38 38 D HA H 38 4.850 4.864 -0.014
4729 11 . 1 1 38 38 D CA C 38 53.000 52.476 0.524
4730 11 . 1 1 38 38 D CB C 38 42.300 41.572 0.728
4731 11 . 1 1 38 38 D H H 38 8.740 8.589 0.151
4732 11 . 1 1 39 39 G N N 39 114.000 115.379 -1.379
4733 11 . 1 1 39 39 G C C 39 174.000 174.789 -0.789
4734 11 . 1 1 39 39 G CA C 39 47.400 47.310 0.090
4735 11 . 1 1 39 39 G H H 39 8.700 8.918 -0.218
4736 11 . 1 1 40 40 N N N 40 124.400 124.787 -0.387
4737 11 . 1 1 40 40 N HA H 40 5.070 5.018 0.052
4738 11 . 1 1 40 40 N C C 40 173.100 173.968 -0.868
4739 11 . 1 1 40 40 N CA C 40 53.200 53.373 -0.173
4740 11 . 1 1 40 40 N CB C 40 39.300 39.030 0.270
4741 11 . 1 1 40 40 N H H 40 8.740 8.731 0.009
4742 11 . 1 1 41 41 D N N 41 118.500 119.520 -1.020
4743 11 . 1 1 41 41 D HA H 41 5.410 5.134 0.276
4744 11 . 1 1 41 41 D C C 41 173.600 173.316 0.284
4745 11 . 1 1 41 41 D CA C 41 53.700 53.411 0.289
4746 11 . 1 1 41 41 D CB C 41 43.800 44.289 -0.489
4747 11 . 1 1 41 41 D H H 41 7.980 7.135 0.845
4748 11 . 1 1 42 42 L N N 42 125.100 125.990 -0.890
4749 11 . 1 1 42 42 L HA H 42 4.960 4.813 0.147
4750 11 . 1 1 42 42 L C C 42 173.600 174.566 -0.966
4751 11 . 1 1 42 42 L CA C 42 53.400 53.393 0.007
4752 11 . 1 1 42 42 L CB C 42 43.700 45.130 -1.430
4753 11 . 1 1 42 42 L H H 42 8.520 9.087 -0.567
4754 11 . 1 1 43 43 E N N 43 127.800 128.166 -0.366
4755 11 . 1 1 43 43 E HA H 43 5.280 5.119 0.161
4756 11 . 1 1 43 43 E C C 43 174.900 175.315 -0.415
4757 11 . 1 1 43 43 E CA C 43 54.500 55.652 -1.152
4758 11 . 1 1 43 43 E CB C 43 32.000 31.341 0.659
4759 11 . 1 1 43 43 E H H 43 8.990 9.091 -0.101
4760 11 . 1 1 44 44 I N N 44 126.300 128.232 -1.932
4761 11 . 1 1 44 44 I HA H 44 4.760 4.972 -0.212
4762 11 . 1 1 44 44 I C C 44 173.800 174.562 -0.762
4763 11 . 1 1 44 44 I CA C 44 60.000 60.247 -0.247
4764 11 . 1 1 44 44 I CB C 44 41.200 40.487 0.713
4765 11 . 1 1 44 44 I H H 44 9.590 9.512 0.078
4766 11 . 1 1 45 45 R N N 45 127.800 128.991 -1.191
4767 11 . 1 1 45 45 R HA H 45 5.250 5.594 -0.344
4768 11 . 1 1 45 45 R C C 45 175.300 174.431 0.869
4769 11 . 1 1 45 45 R CA C 45 55.000 54.456 0.544
4770 11 . 1 1 45 45 R CB C 45 31.700 33.306 -1.606
4771 11 . 1 1 45 45 R H H 45 9.130 9.464 -0.334
4772 11 . 1 1 46 46 I N N 46 125.800 128.304 -2.504
4773 11 . 1 1 46 46 I HA H 46 5.150 4.912 0.238
4774 11 . 1 1 46 46 I C C 46 175.600 175.000 0.600
4775 11 . 1 1 46 46 I CA C 46 60.100 60.085 0.015
4776 11 . 1 1 46 46 I CB C 46 39.900 38.452 1.448
4777 11 . 1 1 46 46 I H H 46 9.180 8.972 0.208
4778 11 . 1 1 47 47 T N N 47 118.800 122.095 -3.295
4779 11 . 1 1 47 47 T HA H 47 5.010 4.616 0.394
4780 11 . 1 1 47 47 T C C 47 174.300 175.269 -0.969
4781 11 . 1 1 47 47 T CA C 47 60.100 62.561 -2.461
4782 11 . 1 1 47 47 T CB C 47 70.900 68.437 2.463
4783 11 . 1 1 47 47 T H H 47 9.020 9.162 -0.142
4784 11 . 1 1 48 48 G N N 48 109.000 115.070 -6.070
4785 11 . 1 1 48 48 G C C 48 174.700 173.762 0.938
4786 11 . 1 1 48 48 G CA C 48 46.200 46.536 -0.336
4787 11 . 1 1 48 48 G H H 48 8.350 8.820 -0.470
4788 11 . 1 1 49 49 V N N 49 114.200 113.508 0.692
4789 11 . 1 1 49 49 V HA H 49 4.260 4.509 -0.249
4790 11 . 1 1 49 49 V CA C 49 58.200 57.874 0.326
4791 11 . 1 1 49 49 V CB C 49 32.500 34.406 -1.906
4792 11 . 1 1 49 49 V H H 49 7.760 7.310 0.450
4793 11 . 1 1 50 50 P HA H 50 4.580 4.747 -0.167
4794 11 . 1 1 50 50 P C C 50 177.200 177.605 -0.405
4795 11 . 1 1 50 50 P CA C 50 61.800 62.340 -0.540
4796 11 . 1 1 50 50 P CB C 50 32.500 32.896 -0.396
4797 11 . 1 1 51 51 E N N 51 123.400 121.370 2.030
4798 11 . 1 1 51 51 E HA H 51 4.000 4.007 -0.007
4799 11 . 1 1 51 51 E C C 51 178.500 178.984 -0.484
4800 11 . 1 1 51 51 E CA C 51 59.500 59.410 0.090
4801 11 . 1 1 51 51 E CB C 51 29.300 28.849 0.451
4802 11 . 1 1 51 51 E H H 51 8.890 8.644 0.246
4803 11 . 1 1 52 52 Q N N 52 115.200 118.337 -3.137
4804 11 . 1 1 52 52 Q HA H 52 4.100 4.138 -0.038
4805 11 . 1 1 52 52 Q C C 52 177.300 177.081 0.219
4806 11 . 1 1 52 52 Q CA C 52 58.600 58.157 0.443
4807 11 . 1 1 52 52 Q CB C 52 27.700 27.892 -0.192
4808 11 . 1 1 52 52 Q H H 52 8.910 8.595 0.315
4809 11 . 1 1 53 53 V N N 53 114.900 119.596 -4.696
4810 11 . 1 1 53 53 V HA H 53 4.120 4.241 -0.121
4811 11 . 1 1 53 53 V C C 53 176.100 177.217 -1.117
4812 11 . 1 1 53 53 V CA C 53 62.100 62.896 -0.796
4813 11 . 1 1 53 53 V CB C 53 31.900 32.320 -0.420
4814 11 . 1 1 53 53 V H H 53 7.080 7.592 -0.512
4815 11 . 1 1 54 54 R N N 54 121.500 123.276 -1.776
4816 11 . 1 1 54 54 R HA H 54 3.620 3.912 -0.292
4817 11 . 1 1 54 54 R C C 54 177.100 178.572 -1.472
4818 11 . 1 1 54 54 R CA C 54 60.400 59.502 0.898
4819 11 . 1 1 54 54 R CB C 54 29.700 29.861 -0.161
4820 11 . 1 1 54 54 R H H 54 7.510 7.977 -0.467
4821 11 . 1 1 55 55 K N N 55 116.800 118.100 -1.300
4822 11 . 1 1 55 55 K HA H 55 3.890 3.971 -0.081
4823 11 . 1 1 55 55 K C C 55 176.000 179.507 -3.507
4824 11 . 1 1 55 55 K CA C 55 59.600 59.703 -0.103
4825 11 . 1 1 55 55 K CB C 55 31.800 32.182 -0.382
4826 11 . 1 1 55 55 K H H 55 8.170 8.145 0.025
4827 11 . 1 1 56 56 E N N 56 120.200 119.969 0.231
4828 11 . 1 1 56 56 E HA H 56 4.050 4.125 -0.075
4829 11 . 1 1 56 56 E CA C 56 59.100 58.892 0.208
4830 11 . 1 1 56 56 E CB C 56 29.200 29.574 -0.374
4831 11 . 1 1 56 56 E H H 56 7.600 7.734 -0.134
4832 11 . 1 1 57 57 L N N 57 120.200 120.194 0.006
4833 11 . 1 1 57 57 L HA H 57 3.970 4.023 -0.053
4834 11 . 1 1 57 57 L C C 57 178.300 178.995 -0.695
4835 11 . 1 1 57 57 L CA C 57 57.700 57.927 -0.227
4836 11 . 1 1 57 57 L CB C 57 42.000 41.530 0.470
4837 11 . 1 1 57 57 L H H 57 7.980 8.097 -0.117
4838 11 . 1 1 58 58 A N N 58 120.600 121.428 -0.828
4839 11 . 1 1 58 58 A HA H 58 3.400 3.974 -0.574
4840 11 . 1 1 58 58 A C C 58 178.600 179.657 -1.057
4841 11 . 1 1 58 58 A CA C 58 55.200 54.926 0.274
4842 11 . 1 1 58 58 A CB C 58 17.600 18.059 -0.459
4843 11 . 1 1 58 58 A H H 58 7.820 8.518 -0.698
4844 11 . 1 1 59 59 K N N 59 116.600 117.774 -1.174
4845 11 . 1 1 59 59 K HA H 59 3.990 4.056 -0.066
4846 11 . 1 1 59 59 K C C 59 179.900 178.225 1.675
4847 11 . 1 1 59 59 K CA C 59 59.400 59.148 0.252
4848 11 . 1 1 59 59 K CB C 59 32.000 32.108 -0.108
4849 11 . 1 1 59 59 K H H 59 7.630 7.542 0.088
4850 11 . 1 1 60 60 E N N 60 120.700 118.872 1.828
4851 11 . 1 1 60 60 E HA H 60 4.390 4.108 0.282
4852 11 . 1 1 60 60 E C C 60 178.100 178.481 -0.381
4853 11 . 1 1 60 60 E CA C 60 58.100 59.608 -1.508
4854 11 . 1 1 60 60 E CB C 60 28.800 29.338 -0.538
4855 11 . 1 1 60 60 E H H 60 7.950 8.455 -0.505
4856 11 . 1 1 61 61 A N N 61 122.400 121.766 0.634
4857 11 . 1 1 61 61 A HA H 61 4.160 4.334 -0.174
4858 11 . 1 1 61 61 A C C 61 179.100 180.114 -1.014
4859 11 . 1 1 61 61 A CA C 61 56.000 55.224 0.776
4860 11 . 1 1 61 61 A CB C 61 17.300 18.702 -1.402
4861 11 . 1 1 61 61 A H H 61 8.300 8.160 0.140
4862 11 . 1 1 62 62 E N N 62 115.600 118.093 -2.493
4863 11 . 1 1 62 62 E HA H 62 4.040 4.069 -0.029
4864 11 . 1 1 62 62 E C C 62 179.200 179.109 0.091
4865 11 . 1 1 62 62 E CA C 62 59.200 59.697 -0.497
4866 11 . 1 1 62 62 E CB C 62 29.300 29.219 0.081
4867 11 . 1 1 62 62 E H H 62 8.100 8.012 0.088
4868 11 . 1 1 63 63 R N N 63 122.800 120.636 2.164
4869 11 . 1 1 63 63 R HA H 63 4.040 4.106 -0.066
4870 11 . 1 1 63 63 R C C 63 179.100 178.706 0.394
4871 11 . 1 1 63 63 R CA C 63 59.600 58.976 0.624
4872 11 . 1 1 63 63 R CB C 63 29.800 29.883 -0.083
4873 11 . 1 1 63 63 R H H 63 8.250 7.448 0.802
4874 11 . 1 1 64 64 L N N 64 120.800 120.132 0.668
4875 11 . 1 1 64 64 L HA H 64 3.870 4.169 -0.299
4876 11 . 1 1 64 64 L C C 64 178.200 179.501 -1.301
4877 11 . 1 1 64 64 L CA C 64 57.500 58.188 -0.688
4878 11 . 1 1 64 64 L CB C 64 42.300 41.704 0.596
4879 11 . 1 1 64 64 L H H 64 8.460 8.297 0.163
4880 11 . 1 1 65 65 A N N 65 120.200 121.720 -1.520
4881 11 . 1 1 65 65 A HA H 65 4.050 4.271 -0.221
4882 11 . 1 1 65 65 A C C 65 179.500 179.626 -0.126
4883 11 . 1 1 65 65 A CA C 65 55.200 55.617 -0.417
4884 11 . 1 1 65 65 A CB C 65 17.900 18.143 -0.243
4885 11 . 1 1 65 65 A H H 65 8.190 8.633 -0.443
4886 11 . 1 1 66 66 K N N 66 116.500 117.647 -1.147
4887 11 . 1 1 66 66 K HA H 66 4.190 4.116 0.074
4888 11 . 1 1 66 66 K C C 66 178.800 179.347 -0.547
4889 11 . 1 1 66 66 K CA C 66 58.900 59.258 -0.358
4890 11 . 1 1 66 66 K CB C 66 32.300 32.312 -0.012
4891 11 . 1 1 66 66 K H H 66 7.700 7.930 -0.230
4892 11 . 1 1 67 67 E N N 67 120.200 121.065 -0.865
4893 11 . 1 1 67 67 E HA H 67 3.840 3.915 -0.075
4894 11 . 1 1 67 67 E C C 67 178.000 177.687 0.313
4895 11 . 1 1 67 67 E CA C 67 59.100 59.310 -0.210
4896 11 . 1 1 67 67 E CB C 67 29.300 29.231 0.069
4897 11 . 1 1 67 67 E H H 67 8.270 8.497 -0.227
4898 11 . 1 1 68 68 F N N 68 113.400 116.088 -2.688
4899 11 . 1 1 68 68 F HA H 68 4.760 4.350 0.410
4900 11 . 1 1 68 68 F C C 68 174.400 174.690 -0.290
4901 11 . 1 1 68 68 F CA C 68 56.300 58.851 -2.551
4902 11 . 1 1 68 68 F CB C 68 39.400 40.221 -0.821
4903 11 . 1 1 68 68 F H H 68 7.800 7.860 -0.060
4904 11 . 1 1 69 69 N N N 69 118.200 114.054 4.146
4905 11 . 1 1 69 69 N HA H 69 4.510 4.270 0.240
4906 11 . 1 1 69 69 N CA C 69 54.200 54.386 -0.186
4907 11 . 1 1 69 69 N CB C 69 37.000 36.757 0.243
4908 11 . 1 1 69 69 N H H 69 7.950 8.086 -0.136
4909 11 . 1 1 70 70 I N N 70 113.900 114.163 -0.263
4910 11 . 1 1 70 70 I HA H 70 4.950 4.826 0.124
4911 11 . 1 1 70 70 I CA C 70 59.800 59.152 0.648
4912 11 . 1 1 70 70 I CB C 70 40.000 40.323 -0.323
4913 11 . 1 1 70 70 I H H 70 8.480 8.053 0.427
4914 11 . 1 1 71 71 T N N 71 113.600 119.245 -5.645
4915 11 . 1 1 71 71 T HA H 71 4.820 4.835 -0.015
4916 11 . 1 1 71 71 T C C 71 173.500 174.070 -0.570
4917 11 . 1 1 71 71 T CA C 71 61.500 62.262 -0.762
4918 11 . 1 1 71 71 T CB C 71 71.200 70.683 0.517
4919 11 . 1 1 71 71 T H H 71 8.520 8.923 -0.403
4920 11 . 1 1 72 72 V N N 72 122.600 121.861 0.739
4921 11 . 1 1 72 72 V HA H 72 5.330 4.755 0.575
4922 11 . 1 1 72 72 V C C 72 173.200 173.559 -0.359
4923 11 . 1 1 72 72 V CA C 72 59.200 60.130 -0.930
4924 11 . 1 1 72 72 V CB C 72 35.800 35.207 0.593
4925 11 . 1 1 72 72 V H H 72 8.720 8.613 0.107
4926 11 . 1 1 73 73 T N N 73 119.300 120.567 -1.267
4927 11 . 1 1 73 73 T HA H 73 4.410 5.328 -0.918
4928 11 . 1 1 73 73 T CA C 73 60.100 59.040 1.060
4929 11 . 1 1 73 73 T CB C 73 71.800 71.606 0.194
4930 11 . 1 1 73 73 T H H 73 8.430 8.596 -0.166
4931 11 . 1 1 74 74 Y N N 74 118.100 119.905 -1.805
4932 11 . 1 1 74 74 Y HA H 74 5.530 5.330 0.200
4933 11 . 1 1 74 74 Y CA C 74 55.900 56.449 -0.549
4934 11 . 1 1 74 74 Y CB C 74 41.600 41.783 -0.183
4935 11 . 1 1 74 74 Y H H 74 8.120 8.960 -0.840
4936 11 . 1 1 75 75 T N N 75 115.000 116.597 -1.597
4937 11 . 1 1 75 75 T HA H 75 4.590 5.038 -0.448
4938 11 . 1 1 75 75 T CA C 75 60.700 61.626 -0.926
4939 11 . 1 1 75 75 T CB C 75 71.700 71.031 0.669
4940 11 . 1 1 75 75 T H H 75 8.810 9.082 -0.272
4941 11 . 1 1 76 76 I N N 76 124.400 127.951 -3.551
4942 11 . 1 1 76 76 I HA H 76 4.800 4.657 0.143
4943 11 . 1 1 76 76 I C C 76 175.300 174.909 0.391
4944 11 . 1 1 76 76 I CA C 76 59.900 60.401 -0.501
4945 11 . 1 1 76 76 I CB C 76 39.500 38.012 1.488
4946 11 . 1 1 76 76 I H H 76 8.650 9.265 -0.615
4947 11 . 1 1 77 77 R N N 77 125.900 127.101 -1.201
4948 11 . 1 1 77 77 R HA H 77 4.570 4.539 0.031
4949 11 . 1 1 77 77 R CA C 77 55.100 55.716 -0.616
4950 11 . 1 1 77 77 R CB C 77 32.500 30.055 2.445
4951 11 . 1 1 77 77 R H H 77 8.680 8.283 0.397
4952 11 . 1 1 78 78 L N N 78 124.400 127.242 -2.842
4953 11 . 1 1 78 78 L HA H 78 4.320 4.863 -0.543
4954 11 . 1 1 78 78 L C C 78 177.000 176.270 0.730
4955 11 . 1 1 78 78 L CA C 78 55.200 54.233 0.967
4956 11 . 1 1 78 78 L CB C 78 42.200 43.981 -1.781
4957 11 . 1 1 78 78 L H H 78 8.500 8.942 -0.442
4958 11 . 1 1 79 79 E N N 79 121.300 127.271 -5.971
4959 11 . 1 1 79 79 E HA H 79 4.150 4.623 -0.473
4960 11 . 1 1 79 79 E C C 79 173.700 175.555 -1.855
4961 11 . 1 1 79 79 E CA C 79 55.400 56.710 -1.310
4962 11 . 1 1 79 79 E CB C 79 30.100 29.704 0.396
4963 11 . 1 1 79 79 E H H 79 8.310 8.800 -0.490
4964 11 . 1 1 80 80 H N N 80 125.300 127.820 -2.520
4965 11 . 1 1 80 80 H HA H 80 4.580 5.457 -0.877
4966 11 . 1 1 80 80 H CA C 80 57.100 53.681 3.419
4967 11 . 1 1 80 80 H CB C 80 30.300 32.679 -2.379
4968 11 . 1 1 80 80 H H H 80 8.090 8.949 -0.859
4969 12 . 1 1 2 2 E N N 2 121.100 126.243 -5.143
4970 12 . 1 1 2 2 E HA H 2 5.260 5.269 -0.009
4971 12 . 1 1 2 2 E C C 2 174.300 174.733 -0.433
4972 12 . 1 1 2 2 E CA C 2 54.300 54.532 -0.232
4973 12 . 1 1 2 2 E CB C 2 32.400 33.450 -1.050
4974 12 . 1 1 2 2 E H H 2 8.720 9.095 -0.375
4975 12 . 1 1 3 3 M N N 3 122.600 120.920 1.680
4976 12 . 1 1 3 3 M HA H 3 5.120 5.288 -0.168
4977 12 . 1 1 3 3 M C C 3 172.600 173.817 -1.217
4978 12 . 1 1 3 3 M CA C 3 54.600 53.909 0.691
4979 12 . 1 1 3 3 M CB C 3 37.000 35.583 1.417
4980 12 . 1 1 3 3 M H H 3 8.990 8.893 0.097
4981 12 . 1 1 4 4 D N N 4 126.300 122.014 4.286
4982 12 . 1 1 4 4 D HA H 4 5.650 5.562 0.088
4983 12 . 1 1 4 4 D C C 4 175.000 175.189 -0.189
4984 12 . 1 1 4 4 D CA C 4 52.600 53.240 -0.640
4985 12 . 1 1 4 4 D CB C 4 41.800 43.082 -1.282
4986 12 . 1 1 4 4 D H H 4 8.810 9.224 -0.414
4987 12 . 1 1 5 5 I N N 5 124.600 125.357 -0.757
4988 12 . 1 1 5 5 I HA H 5 4.470 4.804 -0.334
4989 12 . 1 1 5 5 I C C 5 173.600 174.867 -1.267
4990 12 . 1 1 5 5 I CA C 5 60.500 60.534 -0.034
4991 12 . 1 1 5 5 I CB C 5 41.100 39.972 1.128
4992 12 . 1 1 5 5 I H H 5 9.520 9.510 0.010
4993 12 . 1 1 6 6 R N N 6 127.500 127.463 0.037
4994 12 . 1 1 6 6 R HA H 6 5.410 5.352 0.058
4995 12 . 1 1 6 6 R C C 6 175.300 175.031 0.269
4996 12 . 1 1 6 6 R CA C 6 54.400 54.896 -0.496
4997 12 . 1 1 6 6 R CB C 6 32.500 31.904 0.596
4998 12 . 1 1 6 6 R H H 6 8.970 9.070 -0.100
4999 12 . 1 1 7 7 F N N 7 125.400 123.068 2.332
5000 12 . 1 1 7 7 F HA H 7 5.720 5.108 0.612
5001 12 . 1 1 7 7 F C C 7 174.800 175.115 -0.315
5002 12 . 1 1 7 7 F CA C 7 56.000 57.337 -1.337
5003 12 . 1 1 7 7 F CB C 7 42.300 41.320 0.980
5004 12 . 1 1 7 7 F H H 7 9.530 9.436 0.094
5005 12 . 1 1 8 8 R N N 8 121.100 121.876 -0.776
5006 12 . 1 1 8 8 R HA H 8 5.700 5.857 -0.157
5007 12 . 1 1 8 8 R C C 8 175.400 175.383 0.017
5008 12 . 1 1 8 8 R CA C 8 54.500 55.076 -0.576
5009 12 . 1 1 8 8 R CB C 8 33.800 33.731 0.069
5010 12 . 1 1 8 8 R H H 8 8.770 9.422 -0.652
5011 12 . 1 1 9 9 G N N 9 111.500 112.822 -1.322
5012 12 . 1 1 9 9 G C C 9 171.200 172.815 -1.615
5013 12 . 1 1 9 9 G CA C 9 45.200 45.682 -0.482
5014 12 . 1 1 9 9 G H H 9 8.630 8.585 0.045
5015 12 . 1 1 10 10 D N N 10 117.300 117.376 -0.076
5016 12 . 1 1 10 10 D HA H 10 4.710 4.827 -0.117
5017 12 . 1 1 10 10 D C C 10 175.300 175.647 -0.347
5018 12 . 1 1 10 10 D CA C 10 53.400 54.177 -0.777
5019 12 . 1 1 10 10 D CB C 10 41.400 41.991 -0.591
5020 12 . 1 1 10 10 D H H 10 8.230 8.670 -0.440
5021 12 . 1 1 11 11 D N N 11 119.000 120.621 -1.621
5022 12 . 1 1 11 11 D HA H 11 4.690 4.608 0.082
5023 12 . 1 1 11 11 D C C 11 175.500 176.001 -0.501
5024 12 . 1 1 11 11 D CA C 11 52.600 53.792 -1.192
5025 12 . 1 1 11 11 D CB C 11 41.500 41.475 0.025
5026 12 . 1 1 11 11 D H H 11 7.400 7.794 -0.394
5027 12 . 1 1 12 12 L N N 12 125.800 128.983 -3.183
5028 12 . 1 1 12 12 L HA H 12 3.850 4.426 -0.576
5029 12 . 1 1 12 12 L C C 12 179.100 178.775 0.325
5030 12 . 1 1 12 12 L CA C 12 57.800 58.697 -0.897
5031 12 . 1 1 12 12 L CB C 12 41.700 41.183 0.517
5032 12 . 1 1 12 12 L H H 12 8.520 8.744 -0.224
5033 12 . 1 1 13 13 E N N 13 119.800 118.656 1.144
5034 12 . 1 1 13 13 E HA H 13 3.980 4.019 -0.039
5035 12 . 1 1 13 13 E C C 13 178.600 179.341 -0.741
5036 12 . 1 1 13 13 E CA C 13 59.300 59.477 -0.177
5037 12 . 1 1 13 13 E CB C 13 29.100 29.007 0.093
5038 12 . 1 1 13 13 E H H 13 8.140 8.309 -0.169
5039 12 . 1 1 14 14 A N N 14 122.200 122.777 -0.577
5040 12 . 1 1 14 14 A HA H 14 3.380 3.802 -0.422
5041 12 . 1 1 14 14 A C C 14 179.300 179.774 -0.474
5042 12 . 1 1 14 14 A CA C 14 54.400 54.657 -0.257
5043 12 . 1 1 14 14 A CB C 14 18.700 18.087 0.613
5044 12 . 1 1 14 14 A H H 14 7.460 7.978 -0.518
5045 12 . 1 1 15 15 F N N 15 115.400 115.863 -0.463
5046 12 . 1 1 15 15 F HA H 15 3.850 4.074 -0.224
5047 12 . 1 1 15 15 F C C 15 177.000 178.022 -1.022
5048 12 . 1 1 15 15 F CA C 15 57.700 61.643 -3.943
5049 12 . 1 1 15 15 F CB C 15 37.500 38.578 -1.078
5050 12 . 1 1 15 15 F H H 15 7.380 7.408 -0.028
5051 12 . 1 1 16 16 E N N 16 118.800 119.397 -0.597
5052 12 . 1 1 16 16 E HA H 16 3.660 3.754 -0.094
5053 12 . 1 1 16 16 E C C 16 178.700 178.403 0.297
5054 12 . 1 1 16 16 E CA C 16 59.800 59.845 -0.045
5055 12 . 1 1 16 16 E CB C 16 29.100 29.269 -0.169
5056 12 . 1 1 16 16 E H H 16 7.990 8.351 -0.361
5057 12 . 1 1 17 17 K N N 17 118.200 118.984 -0.784
5058 12 . 1 1 17 17 K HA H 17 3.780 3.857 -0.077
5059 12 . 1 1 17 17 K C C 17 179.000 178.574 0.426
5060 12 . 1 1 17 17 K CA C 17 59.600 58.924 0.676
5061 12 . 1 1 17 17 K CB C 17 32.400 31.678 0.722
5062 12 . 1 1 17 17 K H H 17 7.550 8.028 -0.478
5063 12 . 1 1 18 18 A N N 18 122.400 121.709 0.691
5064 12 . 1 1 18 18 A HA H 18 3.890 3.706 0.184
5065 12 . 1 1 18 18 A C C 18 178.900 179.474 -0.574
5066 12 . 1 1 18 18 A CA C 18 54.800 54.680 0.120
5067 12 . 1 1 18 18 A CB C 18 17.100 18.113 -1.013
5068 12 . 1 1 18 18 A H H 18 8.060 7.471 0.589
5069 12 . 1 1 19 19 L N N 19 118.700 119.294 -0.594
5070 12 . 1 1 19 19 L HA H 19 3.690 3.961 -0.271
5071 12 . 1 1 19 19 L C C 19 177.700 178.309 -0.609
5072 12 . 1 1 19 19 L CA C 19 57.900 57.483 0.417
5073 12 . 1 1 19 19 L CB C 19 41.700 41.361 0.339
5074 12 . 1 1 19 19 L H H 19 8.280 7.845 0.435
5075 12 . 1 1 20 20 K N N 20 116.600 118.599 -1.999
5076 12 . 1 1 20 20 K HA H 20 3.780 3.793 -0.013
5077 12 . 1 1 20 20 K C C 20 179.700 178.810 0.890
5078 12 . 1 1 20 20 K CA C 20 60.000 59.665 0.335
5079 12 . 1 1 20 20 K CB C 20 32.400 32.288 0.112
5080 12 . 1 1 20 20 K H H 20 7.760 8.453 -0.693
5081 12 . 1 1 21 21 E N N 21 118.700 119.772 -1.072
5082 12 . 1 1 21 21 E HA H 21 4.300 4.036 0.264
5083 12 . 1 1 21 21 E C C 21 178.500 179.354 -0.854
5084 12 . 1 1 21 21 E CA C 21 58.400 59.461 -1.061
5085 12 . 1 1 21 21 E CB C 21 29.100 29.333 -0.233
5086 12 . 1 1 21 21 E H H 21 7.750 7.769 -0.019
5087 12 . 1 1 22 22 M N N 22 119.100 119.202 -0.102
5088 12 . 1 1 22 22 M HA H 22 4.390 4.168 0.222
5089 12 . 1 1 22 22 M C C 22 178.800 178.771 0.029
5090 12 . 1 1 22 22 M CA C 22 57.300 58.694 -1.394
5091 12 . 1 1 22 22 M CB C 22 31.200 32.923 -1.723
5092 12 . 1 1 22 22 M H H 22 8.300 7.832 0.468
5093 12 . 1 1 23 23 I N N 23 120.200 119.380 0.820
5094 12 . 1 1 23 23 I HA H 23 3.550 3.654 -0.104
5095 12 . 1 1 23 23 I C C 23 177.600 177.898 -0.298
5096 12 . 1 1 23 23 I CA C 23 66.100 64.970 1.130
5097 12 . 1 1 23 23 I CB C 23 37.700 37.326 0.374
5098 12 . 1 1 23 23 I H H 23 8.460 8.310 0.150
5099 12 . 1 1 24 24 R N N 24 120.200 120.966 -0.766
5100 12 . 1 1 24 24 R HA H 24 3.890 3.882 0.008
5101 12 . 1 1 24 24 R C C 24 179.400 178.993 0.407
5102 12 . 1 1 24 24 R CA C 24 59.900 59.990 -0.090
5103 12 . 1 1 24 24 R CB C 24 30.200 30.007 0.193
5104 12 . 1 1 24 24 R H H 24 7.720 8.212 -0.492
5105 12 . 1 1 25 25 Q N N 25 117.100 118.102 -1.002
5106 12 . 1 1 25 25 Q HA H 25 3.930 4.113 -0.183
5107 12 . 1 1 25 25 Q C C 25 177.600 178.772 -1.172
5108 12 . 1 1 25 25 Q CA C 25 58.000 58.727 -0.727
5109 12 . 1 1 25 25 Q CB C 25 27.800 28.423 -0.623
5110 12 . 1 1 25 25 Q H H 25 8.190 8.208 -0.018
5111 12 . 1 1 26 26 A N N 26 120.300 122.494 -2.194
5112 12 . 1 1 26 26 A HA H 26 3.690 4.324 -0.634
5113 12 . 1 1 26 26 A C C 26 179.400 180.120 -0.720
5114 12 . 1 1 26 26 A CA C 26 54.200 55.184 -0.984
5115 12 . 1 1 26 26 A CB C 26 18.300 18.457 -0.157
5116 12 . 1 1 26 26 A H H 26 8.240 8.428 -0.188
5117 12 . 1 1 27 27 R N N 27 117.500 117.619 -0.119
5118 12 . 1 1 27 27 R HA H 27 4.070 4.133 -0.063
5119 12 . 1 1 27 27 R C C 27 178.900 178.050 0.850
5120 12 . 1 1 27 27 R CA C 27 58.500 59.358 -0.858
5121 12 . 1 1 27 27 R CB C 27 29.700 29.943 -0.243
5122 12 . 1 1 27 27 R H H 27 8.080 8.351 -0.271
5123 12 . 1 1 28 28 K N N 28 119.100 116.841 2.259
5124 12 . 1 1 28 28 K HA H 28 4.000 4.111 -0.111
5125 12 . 1 1 28 28 K C C 28 176.900 176.014 0.886
5126 12 . 1 1 28 28 K CA C 28 58.600 57.456 1.144
5127 12 . 1 1 28 28 K CB C 28 32.100 32.769 -0.669
5128 12 . 1 1 28 28 K H H 28 7.520 7.586 -0.066
5129 12 . 1 1 29 29 F N N 29 114.500 117.920 -3.420
5130 12 . 1 1 29 29 F HA H 29 4.930 5.008 -0.078
5131 12 . 1 1 29 29 F C C 29 173.600 174.780 -1.180
5132 12 . 1 1 29 29 F CA C 29 55.800 56.711 -0.911
5133 12 . 1 1 29 29 F CB C 29 39.000 41.271 -2.271
5134 12 . 1 1 29 29 F H H 29 7.010 7.763 -0.753
5135 12 . 1 1 30 30 A N N 30 121.600 125.529 -3.929
5136 12 . 1 1 30 30 A HA H 30 4.130 4.605 -0.475
5137 12 . 1 1 30 30 A C C 30 176.700 177.012 -0.312
5138 12 . 1 1 30 30 A CA C 30 52.900 51.641 1.259
5139 12 . 1 1 30 30 A CB C 30 17.000 18.213 -1.213
5140 12 . 1 1 30 30 A H H 30 7.830 8.724 -0.894
5141 12 . 1 1 31 31 G N N 31 105.400 109.223 -3.823
5142 12 . 1 1 31 31 G C C 31 173.100 171.769 1.331
5143 12 . 1 1 31 31 G CA C 31 45.100 46.124 -1.024
5144 12 . 1 1 31 31 G H H 31 7.950 8.100 -0.150
5145 12 . 1 1 32 32 T N N 32 115.700 115.222 0.478
5146 12 . 1 1 32 32 T HA H 32 4.580 5.014 -0.434
5147 12 . 1 1 32 32 T C C 32 173.100 173.743 -0.643
5148 12 . 1 1 32 32 T CA C 32 61.900 61.567 0.333
5149 12 . 1 1 32 32 T CB C 32 70.500 72.000 -1.500
5150 12 . 1 1 32 32 T H H 32 8.220 8.376 -0.156
5151 12 . 1 1 33 33 V N N 33 125.300 127.722 -2.422
5152 12 . 1 1 33 33 V HA H 33 5.150 5.098 0.052
5153 12 . 1 1 33 33 V C C 33 175.300 175.224 0.076
5154 12 . 1 1 33 33 V CA C 33 60.800 60.798 0.002
5155 12 . 1 1 33 33 V CB C 33 34.300 34.264 0.036
5156 12 . 1 1 33 33 V H H 33 8.610 9.179 -0.569
5157 12 . 1 1 34 34 T N N 34 120.200 120.016 0.184
5158 12 . 1 1 34 34 T HA H 34 4.670 5.327 -0.657
5159 12 . 1 1 34 34 T CA C 34 60.200 60.665 -0.465
5160 12 . 1 1 34 34 T CB C 34 71.600 70.413 1.187
5161 12 . 1 1 34 34 T H H 34 8.890 9.100 -0.210
5162 12 . 1 1 35 35 Y N N 35 118.100 119.589 -1.489
5163 12 . 1 1 35 35 Y HA H 35 5.720 6.273 -0.553
5164 12 . 1 1 35 35 Y C C 35 174.400 173.211 1.189
5165 12 . 1 1 35 35 Y CA C 35 56.200 55.400 0.800
5166 12 . 1 1 35 35 Y CB C 35 41.800 42.423 -0.623
5167 12 . 1 1 35 35 Y H H 35 8.360 8.656 -0.296
5168 12 . 1 1 36 36 T N N 36 115.200 113.313 1.887
5169 12 . 1 1 36 36 T HA H 36 4.400 5.055 -0.655
5170 12 . 1 1 36 36 T CA C 36 60.200 60.353 -0.153
5171 12 . 1 1 36 36 T CB C 36 71.800 71.727 0.073
5172 12 . 1 1 36 36 T H H 36 9.020 8.920 0.100
5173 12 . 1 1 37 37 L N N 37 129.300 125.726 3.574
5174 12 . 1 1 37 37 L HA H 37 5.020 5.288 -0.268
5175 12 . 1 1 37 37 L C C 37 174.900 175.489 -0.589
5176 12 . 1 1 37 37 L CA C 37 54.400 53.541 0.859
5177 12 . 1 1 37 37 L CB C 37 43.800 44.066 -0.266
5178 12 . 1 1 37 37 L H H 37 8.850 9.037 -0.187
5179 12 . 1 1 38 38 D N N 38 127.200 124.026 3.174
5180 12 . 1 1 38 38 D HA H 38 4.850 4.814 0.036
5181 12 . 1 1 38 38 D CA C 38 53.000 52.625 0.375
5182 12 . 1 1 38 38 D CB C 38 42.300 41.825 0.475
5183 12 . 1 1 38 38 D H H 38 8.740 8.688 0.052
5184 12 . 1 1 39 39 G N N 39 114.000 115.830 -1.830
5185 12 . 1 1 39 39 G C C 39 174.000 174.422 -0.422
5186 12 . 1 1 39 39 G CA C 39 47.400 47.274 0.126
5187 12 . 1 1 39 39 G H H 39 8.700 8.931 -0.231
5188 12 . 1 1 40 40 N N N 40 124.400 123.185 1.215
5189 12 . 1 1 40 40 N HA H 40 5.070 5.197 -0.127
5190 12 . 1 1 40 40 N C C 40 173.100 174.062 -0.962
5191 12 . 1 1 40 40 N CA C 40 53.200 53.004 0.196
5192 12 . 1 1 40 40 N CB C 40 39.300 40.140 -0.840
5193 12 . 1 1 40 40 N H H 40 8.740 8.652 0.088
5194 12 . 1 1 41 41 D N N 41 118.500 118.992 -0.492
5195 12 . 1 1 41 41 D HA H 41 5.410 5.192 0.218
5196 12 . 1 1 41 41 D C C 41 173.600 175.161 -1.561
5197 12 . 1 1 41 41 D CA C 41 53.700 53.051 0.649
5198 12 . 1 1 41 41 D CB C 41 43.800 42.928 0.872
5199 12 . 1 1 41 41 D H H 41 7.980 7.905 0.075
5200 12 . 1 1 42 42 L N N 42 125.100 126.290 -1.190
5201 12 . 1 1 42 42 L HA H 42 4.960 5.204 -0.244
5202 12 . 1 1 42 42 L C C 42 173.600 174.860 -1.260
5203 12 . 1 1 42 42 L CA C 42 53.400 54.010 -0.610
5204 12 . 1 1 42 42 L CB C 42 43.700 44.666 -0.966
5205 12 . 1 1 42 42 L H H 42 8.520 9.269 -0.749
5206 12 . 1 1 43 43 E N N 43 127.800 126.378 1.422
5207 12 . 1 1 43 43 E HA H 43 5.280 4.786 0.494
5208 12 . 1 1 43 43 E C C 43 174.900 175.296 -0.396
5209 12 . 1 1 43 43 E CA C 43 54.500 56.009 -1.509
5210 12 . 1 1 43 43 E CB C 43 32.000 30.237 1.763
5211 12 . 1 1 43 43 E H H 43 8.990 8.914 0.076
5212 12 . 1 1 44 44 I N N 44 126.300 126.733 -0.433
5213 12 . 1 1 44 44 I HA H 44 4.760 5.080 -0.320
5214 12 . 1 1 44 44 I C C 44 173.800 174.496 -0.696
5215 12 . 1 1 44 44 I CA C 44 60.000 60.026 -0.026
5216 12 . 1 1 44 44 I CB C 44 41.200 39.175 2.025
5217 12 . 1 1 44 44 I H H 44 9.590 9.231 0.359
5218 12 . 1 1 45 45 R N N 45 127.800 128.671 -0.871
5219 12 . 1 1 45 45 R HA H 45 5.250 5.243 0.007
5220 12 . 1 1 45 45 R C C 45 175.300 174.485 0.815
5221 12 . 1 1 45 45 R CA C 45 55.000 54.538 0.462
5222 12 . 1 1 45 45 R CB C 45 31.700 32.768 -1.068
5223 12 . 1 1 45 45 R H H 45 9.130 9.583 -0.453
5224 12 . 1 1 46 46 I N N 46 125.800 128.383 -2.583
5225 12 . 1 1 46 46 I HA H 46 5.150 4.878 0.272
5226 12 . 1 1 46 46 I C C 46 175.600 174.773 0.827
5227 12 . 1 1 46 46 I CA C 46 60.100 60.019 0.081
5228 12 . 1 1 46 46 I CB C 46 39.900 38.833 1.067
5229 12 . 1 1 46 46 I H H 46 9.180 9.239 -0.059
5230 12 . 1 1 47 47 T N N 47 118.800 121.985 -3.185
5231 12 . 1 1 47 47 T HA H 47 5.010 4.866 0.144
5232 12 . 1 1 47 47 T C C 47 174.300 175.542 -1.242
5233 12 . 1 1 47 47 T CA C 47 60.100 60.805 -0.705
5234 12 . 1 1 47 47 T CB C 47 70.900 70.079 0.821
5235 12 . 1 1 47 47 T H H 47 9.020 9.186 -0.166
5236 12 . 1 1 48 48 G N N 48 109.000 114.621 -5.621
5237 12 . 1 1 48 48 G C C 48 174.700 174.628 0.072
5238 12 . 1 1 48 48 G CA C 48 46.200 45.300 0.900
5239 12 . 1 1 48 48 G H H 48 8.350 8.742 -0.392
5240 12 . 1 1 49 49 V N N 49 114.200 120.050 -5.850
5241 12 . 1 1 49 49 V HA H 49 4.260 4.023 0.237
5242 12 . 1 1 49 49 V CA C 49 58.200 60.861 -2.661
5243 12 . 1 1 49 49 V CB C 49 32.500 31.564 0.936
5244 12 . 1 1 49 49 V H H 49 7.760 7.809 -0.049
5245 12 . 1 1 50 50 P HA H 50 4.580 4.617 -0.037
5246 12 . 1 1 50 50 P C C 50 177.200 176.936 0.264
5247 12 . 1 1 50 50 P CA C 50 61.800 61.971 -0.171
5248 12 . 1 1 50 50 P CB C 50 32.500 33.079 -0.579
5249 12 . 1 1 51 51 E N N 51 123.400 121.830 1.570
5250 12 . 1 1 51 51 E HA H 51 4.000 3.918 0.082
5251 12 . 1 1 51 51 E C C 51 178.500 178.195 0.305
5252 12 . 1 1 51 51 E CA C 51 59.500 59.539 -0.039
5253 12 . 1 1 51 51 E CB C 51 29.300 29.593 -0.293
5254 12 . 1 1 51 51 E H H 51 8.890 9.116 -0.226
5255 12 . 1 1 52 52 Q N N 52 115.200 118.067 -2.867
5256 12 . 1 1 52 52 Q HA H 52 4.100 4.072 0.028
5257 12 . 1 1 52 52 Q C C 52 177.300 177.628 -0.328
5258 12 . 1 1 52 52 Q CA C 52 58.600 58.254 0.346
5259 12 . 1 1 52 52 Q CB C 52 27.700 28.546 -0.846
5260 12 . 1 1 52 52 Q H H 52 8.910 8.214 0.696
5261 12 . 1 1 53 53 V N N 53 114.900 120.727 -5.827
5262 12 . 1 1 53 53 V HA H 53 4.120 3.649 0.471
5263 12 . 1 1 53 53 V C C 53 176.100 177.488 -1.388
5264 12 . 1 1 53 53 V CA C 53 62.100 66.026 -3.926
5265 12 . 1 1 53 53 V CB C 53 31.900 31.554 0.346
5266 12 . 1 1 53 53 V H H 53 7.080 7.569 -0.489
5267 12 . 1 1 54 54 R N N 54 121.500 120.154 1.346
5268 12 . 1 1 54 54 R HA H 54 3.620 3.889 -0.269
5269 12 . 1 1 54 54 R C C 54 177.100 178.333 -1.233
5270 12 . 1 1 54 54 R CA C 54 60.400 59.782 0.618
5271 12 . 1 1 54 54 R CB C 54 29.700 29.936 -0.236
5272 12 . 1 1 54 54 R H H 54 7.510 8.221 -0.711
5273 12 . 1 1 55 55 K N N 55 116.800 117.779 -0.979
5274 12 . 1 1 55 55 K HA H 55 3.890 3.987 -0.097
5275 12 . 1 1 55 55 K C C 55 176.000 178.587 -2.587
5276 12 . 1 1 55 55 K CA C 55 59.600 59.150 0.450
5277 12 . 1 1 55 55 K CB C 55 31.800 32.001 -0.201
5278 12 . 1 1 55 55 K H H 55 8.170 7.738 0.432
5279 12 . 1 1 56 56 E N N 56 120.200 119.606 0.594
5280 12 . 1 1 56 56 E HA H 56 4.050 4.086 -0.036
5281 12 . 1 1 56 56 E CA C 56 59.100 58.840 0.260
5282 12 . 1 1 56 56 E CB C 56 29.200 30.187 -0.987
5283 12 . 1 1 56 56 E H H 56 7.600 7.926 -0.326
5284 12 . 1 1 57 57 L N N 57 120.200 120.565 -0.365
5285 12 . 1 1 57 57 L HA H 57 3.970 3.983 -0.013
5286 12 . 1 1 57 57 L C C 57 178.300 178.575 -0.275
5287 12 . 1 1 57 57 L CA C 57 57.700 57.639 0.061
5288 12 . 1 1 57 57 L CB C 57 42.000 41.827 0.173
5289 12 . 1 1 57 57 L H H 57 7.980 8.286 -0.306
5290 12 . 1 1 58 58 A N N 58 120.600 121.543 -0.943
5291 12 . 1 1 58 58 A HA H 58 3.400 3.755 -0.355
5292 12 . 1 1 58 58 A C C 58 178.600 179.047 -0.447
5293 12 . 1 1 58 58 A CA C 58 55.200 55.544 -0.344
5294 12 . 1 1 58 58 A CB C 58 17.600 18.768 -1.168
5295 12 . 1 1 58 58 A H H 58 7.820 8.399 -0.579
5296 12 . 1 1 59 59 K N N 59 116.600 118.564 -1.964
5297 12 . 1 1 59 59 K HA H 59 3.990 3.904 0.086
5298 12 . 1 1 59 59 K C C 59 179.900 177.908 1.992
5299 12 . 1 1 59 59 K CA C 59 59.400 59.605 -0.205
5300 12 . 1 1 59 59 K CB C 59 32.000 32.085 -0.085
5301 12 . 1 1 59 59 K H H 59 7.630 7.739 -0.109
5302 12 . 1 1 60 60 E N N 60 120.700 118.642 2.058
5303 12 . 1 1 60 60 E HA H 60 4.390 4.122 0.268
5304 12 . 1 1 60 60 E C C 60 178.100 178.305 -0.205
5305 12 . 1 1 60 60 E CA C 60 58.100 59.478 -1.378
5306 12 . 1 1 60 60 E CB C 60 28.800 29.292 -0.492
5307 12 . 1 1 60 60 E H H 60 7.950 8.107 -0.157
5308 12 . 1 1 61 61 A N N 61 122.400 122.067 0.333
5309 12 . 1 1 61 61 A HA H 61 4.160 4.361 -0.201
5310 12 . 1 1 61 61 A C C 61 179.100 180.057 -0.957
5311 12 . 1 1 61 61 A CA C 61 56.000 54.994 1.006
5312 12 . 1 1 61 61 A CB C 61 17.300 18.639 -1.339
5313 12 . 1 1 61 61 A H H 61 8.300 8.157 0.143
5314 12 . 1 1 62 62 E N N 62 115.600 117.817 -2.217
5315 12 . 1 1 62 62 E C C 62 179.200 179.100 0.100
5316 12 . 1 1 62 62 E CA C 62 59.200 59.667 -0.467
5317 12 . 1 1 62 62 E CB C 62 29.300 29.480 -0.180
5318 12 . 1 1 62 62 E H H 62 8.100 7.707 0.393
5319 12 . 1 1 63 63 R N N 63 122.800 120.643 2.157
5320 12 . 1 1 63 63 R HA H 63 4.040 4.119 -0.079
5321 12 . 1 1 63 63 R C C 63 179.100 179.006 0.094
5322 12 . 1 1 63 63 R CA C 63 59.600 58.993 0.607
5323 12 . 1 1 63 63 R CB C 63 29.800 29.871 -0.071
5324 12 . 1 1 63 63 R H H 63 8.250 7.304 0.946
5325 12 . 1 1 64 64 L N N 64 120.800 120.186 0.614
5326 12 . 1 1 64 64 L HA H 64 3.870 4.374 -0.504
5327 12 . 1 1 64 64 L C C 64 178.200 179.499 -1.299
5328 12 . 1 1 64 64 L CA C 64 57.500 58.187 -0.687
5329 12 . 1 1 64 64 L CB C 64 42.300 41.717 0.583
5330 12 . 1 1 64 64 L H H 64 8.460 8.453 0.007
5331 12 . 1 1 65 65 A N N 65 120.200 122.075 -1.875
5332 12 . 1 1 65 65 A HA H 65 4.050 4.244 -0.194
5333 12 . 1 1 65 65 A C C 65 179.500 179.723 -0.223
5334 12 . 1 1 65 65 A CA C 65 55.200 55.746 -0.546
5335 12 . 1 1 65 65 A CB C 65 17.900 18.602 -0.702
5336 12 . 1 1 65 65 A H H 65 8.190 8.635 -0.445
5337 12 . 1 1 66 66 K N N 66 116.500 117.418 -0.918
5338 12 . 1 1 66 66 K HA H 66 4.190 3.970 0.220
5339 12 . 1 1 66 66 K C C 66 178.800 179.396 -0.596
5340 12 . 1 1 66 66 K CA C 66 58.900 59.769 -0.869
5341 12 . 1 1 66 66 K CB C 66 32.300 32.351 -0.051
5342 12 . 1 1 66 66 K H H 66 7.700 8.204 -0.504
5343 12 . 1 1 67 67 E N N 67 120.200 117.890 2.310
5344 12 . 1 1 67 67 E HA H 67 3.840 4.103 -0.263
5345 12 . 1 1 67 67 E C C 67 178.000 176.831 1.169
5346 12 . 1 1 67 67 E CA C 67 59.100 58.072 1.028
5347 12 . 1 1 67 67 E CB C 67 29.300 27.715 1.585
5348 12 . 1 1 67 67 E H H 67 8.270 8.403 -0.133
5349 12 . 1 1 68 68 F N N 68 113.400 118.241 -4.841
5350 12 . 1 1 68 68 F HA H 68 4.760 4.522 0.238
5351 12 . 1 1 68 68 F C C 68 174.400 174.449 -0.049
5352 12 . 1 1 68 68 F CA C 68 56.300 57.931 -1.631
5353 12 . 1 1 68 68 F CB C 68 39.400 39.548 -0.148
5354 12 . 1 1 68 68 F H H 68 7.800 7.748 0.052
5355 12 . 1 1 69 69 N N N 69 118.200 113.538 4.662
5356 12 . 1 1 69 69 N HA H 69 4.510 4.304 0.206
5357 12 . 1 1 69 69 N CA C 69 54.200 54.498 -0.298
5358 12 . 1 1 69 69 N CB C 69 37.000 36.739 0.261
5359 12 . 1 1 69 69 N H H 69 7.950 7.821 0.129
5360 12 . 1 1 70 70 I N N 70 113.900 112.612 1.288
5361 12 . 1 1 70 70 I HA H 70 4.950 4.895 0.055
5362 12 . 1 1 70 70 I CA C 70 59.800 58.958 0.842
5363 12 . 1 1 70 70 I CB C 70 40.000 41.694 -1.694
5364 12 . 1 1 70 70 I H H 70 8.480 7.668 0.812
5365 12 . 1 1 71 71 T N N 71 113.600 119.921 -6.321
5366 12 . 1 1 71 71 T HA H 71 4.820 4.690 0.130
5367 12 . 1 1 71 71 T C C 71 173.500 173.558 -0.058
5368 12 . 1 1 71 71 T CA C 71 61.500 62.399 -0.899
5369 12 . 1 1 71 71 T CB C 71 71.200 69.962 1.238
5370 12 . 1 1 71 71 T H H 71 8.520 9.066 -0.546
5371 12 . 1 1 72 72 V N N 72 122.600 126.013 -3.413
5372 12 . 1 1 72 72 V HA H 72 5.330 4.912 0.418
5373 12 . 1 1 72 72 V C C 72 173.200 174.108 -0.908
5374 12 . 1 1 72 72 V CA C 72 59.200 59.732 -0.532
5375 12 . 1 1 72 72 V CB C 72 35.800 34.286 1.514
5376 12 . 1 1 72 72 V H H 72 8.720 8.730 -0.010
5377 12 . 1 1 73 73 T N N 73 119.300 121.208 -1.908
5378 12 . 1 1 73 73 T HA H 73 4.410 5.087 -0.677
5379 12 . 1 1 73 73 T CA C 73 60.100 60.170 -0.070
5380 12 . 1 1 73 73 T CB C 73 71.800 70.725 1.075
5381 12 . 1 1 73 73 T H H 73 8.430 9.019 -0.589
5382 12 . 1 1 74 74 Y N N 74 118.100 119.856 -1.756
5383 12 . 1 1 74 74 Y HA H 74 5.530 6.002 -0.472
5384 12 . 1 1 74 74 Y CA C 74 55.900 55.178 0.722
5385 12 . 1 1 74 74 Y CB C 74 41.600 42.007 -0.407
5386 12 . 1 1 74 74 Y H H 74 8.120 8.260 -0.140
5387 12 . 1 1 75 75 T N N 75 115.000 116.370 -1.370
5388 12 . 1 1 75 75 T HA H 75 4.590 5.125 -0.535
5389 12 . 1 1 75 75 T CA C 75 60.700 61.623 -0.923
5390 12 . 1 1 75 75 T CB C 75 71.700 70.390 1.310
5391 12 . 1 1 75 75 T H H 75 8.810 9.236 -0.426
5392 12 . 1 1 76 76 I N N 76 124.400 128.156 -3.756
5393 12 . 1 1 76 76 I HA H 76 4.800 5.122 -0.322
5394 12 . 1 1 76 76 I C C 76 175.300 175.407 -0.107
5395 12 . 1 1 76 76 I CA C 76 59.900 59.456 0.444
5396 12 . 1 1 76 76 I CB C 76 39.500 40.701 -1.201
5397 12 . 1 1 76 76 I H H 76 8.650 9.147 -0.497
5398 12 . 1 1 77 77 R N N 77 125.900 125.537 0.363
5399 12 . 1 1 77 77 R HA H 77 4.570 4.999 -0.429
5400 12 . 1 1 77 77 R CA C 77 55.100 54.535 0.565
5401 12 . 1 1 77 77 R CB C 77 32.500 32.019 0.481
5402 12 . 1 1 77 77 R H H 77 8.680 8.933 -0.253
5403 12 . 1 1 78 78 L N N 78 124.400 127.641 -3.241
5404 12 . 1 1 78 78 L HA H 78 4.320 5.004 -0.684
5405 12 . 1 1 78 78 L C C 78 177.000 175.541 1.459
5406 12 . 1 1 78 78 L CA C 78 55.200 53.549 1.651
5407 12 . 1 1 78 78 L CB C 78 42.200 45.505 -3.305
5408 12 . 1 1 78 78 L H H 78 8.500 9.099 -0.599
5409 12 . 1 1 79 79 E N N 79 121.300 128.080 -6.780
5410 12 . 1 1 79 79 E HA H 79 4.150 4.506 -0.356
5411 12 . 1 1 79 79 E C C 79 173.700 175.923 -2.223
5412 12 . 1 1 79 79 E CA C 79 55.400 56.322 -0.922
5413 12 . 1 1 79 79 E CB C 79 30.100 29.562 0.538
5414 12 . 1 1 79 79 E H H 79 8.310 8.782 -0.472
5415 12 . 1 1 80 80 H N N 80 125.300 123.310 1.990
5416 12 . 1 1 80 80 H HA H 80 4.580 5.700 -1.120
5417 12 . 1 1 80 80 H CA C 80 57.100 53.725 3.375
5418 12 . 1 1 80 80 H CB C 80 30.300 32.537 -2.237
5419 12 . 1 1 80 80 H H H 80 8.090 8.065 0.025
5420 13 . 1 1 2 2 E N N 2 121.100 125.003 -3.903
5421 13 . 1 1 2 2 E HA H 2 5.260 5.028 0.232
5422 13 . 1 1 2 2 E C C 2 174.300 174.726 -0.426
5423 13 . 1 1 2 2 E CA C 2 54.300 54.705 -0.405
5424 13 . 1 1 2 2 E CB C 2 32.400 33.934 -1.534
5425 13 . 1 1 2 2 E H H 2 8.720 8.978 -0.258
5426 13 . 1 1 3 3 M N N 3 122.600 120.411 2.189
5427 13 . 1 1 3 3 M HA H 3 5.120 5.103 0.017
5428 13 . 1 1 3 3 M C C 3 172.600 174.257 -1.657
5429 13 . 1 1 3 3 M CA C 3 54.600 54.477 0.123
5430 13 . 1 1 3 3 M CB C 3 37.000 35.971 1.029
5431 13 . 1 1 3 3 M H H 3 8.990 8.668 0.322
5432 13 . 1 1 4 4 D N N 4 126.300 125.600 0.700
5433 13 . 1 1 4 4 D HA H 4 5.650 5.040 0.610
5434 13 . 1 1 4 4 D C C 4 175.000 175.290 -0.290
5435 13 . 1 1 4 4 D CA C 4 52.600 54.424 -1.824
5436 13 . 1 1 4 4 D CB C 4 41.800 41.554 0.246
5437 13 . 1 1 4 4 D H H 4 8.810 8.943 -0.133
5438 13 . 1 1 5 5 I N N 5 124.600 124.504 0.096
5439 13 . 1 1 5 5 I HA H 5 4.470 4.609 -0.139
5440 13 . 1 1 5 5 I C C 5 173.600 174.604 -1.004
5441 13 . 1 1 5 5 I CA C 5 60.500 60.536 -0.036
5442 13 . 1 1 5 5 I CB C 5 41.100 40.581 0.519
5443 13 . 1 1 5 5 I H H 5 9.520 8.745 0.775
5444 13 . 1 1 6 6 R N N 6 127.500 126.827 0.673
5445 13 . 1 1 6 6 R HA H 6 5.410 5.307 0.103
5446 13 . 1 1 6 6 R C C 6 175.300 174.928 0.372
5447 13 . 1 1 6 6 R CA C 6 54.400 54.635 -0.235
5448 13 . 1 1 6 6 R CB C 6 32.500 32.263 0.237
5449 13 . 1 1 6 6 R H H 6 8.970 8.974 -0.004
5450 13 . 1 1 7 7 F N N 7 125.400 122.660 2.740
5451 13 . 1 1 7 7 F HA H 7 5.720 5.388 0.332
5452 13 . 1 1 7 7 F C C 7 174.800 175.019 -0.219
5453 13 . 1 1 7 7 F CA C 7 56.000 56.574 -0.574
5454 13 . 1 1 7 7 F CB C 7 42.300 42.151 0.149
5455 13 . 1 1 7 7 F H H 7 9.530 8.937 0.593
5456 13 . 1 1 8 8 R N N 8 121.100 121.895 -0.795
5457 13 . 1 1 8 8 R HA H 8 5.700 5.118 0.582
5458 13 . 1 1 8 8 R C C 8 175.400 175.454 -0.054
5459 13 . 1 1 8 8 R CA C 8 54.500 54.976 -0.476
5460 13 . 1 1 8 8 R CB C 8 33.800 33.474 0.326
5461 13 . 1 1 8 8 R H H 8 8.770 9.373 -0.603
5462 13 . 1 1 9 9 G N N 9 111.500 112.792 -1.292
5463 13 . 1 1 9 9 G C C 9 171.200 173.502 -2.302
5464 13 . 1 1 9 9 G CA C 9 45.200 45.042 0.158
5465 13 . 1 1 9 9 G H H 9 8.630 8.776 -0.146
5466 13 . 1 1 10 10 D N N 10 117.300 118.690 -1.390
5467 13 . 1 1 10 10 D HA H 10 4.710 4.599 0.111
5468 13 . 1 1 10 10 D C C 10 175.300 175.507 -0.207
5469 13 . 1 1 10 10 D CA C 10 53.400 54.493 -1.093
5470 13 . 1 1 10 10 D CB C 10 41.400 41.361 0.039
5471 13 . 1 1 10 10 D H H 10 8.230 8.864 -0.634
5472 13 . 1 1 11 11 D N N 11 119.000 120.999 -1.999
5473 13 . 1 1 11 11 D HA H 11 4.690 4.653 0.037
5474 13 . 1 1 11 11 D C C 11 175.500 175.812 -0.312
5475 13 . 1 1 11 11 D CA C 11 52.600 54.297 -1.697
5476 13 . 1 1 11 11 D CB C 11 41.500 42.178 -0.678
5477 13 . 1 1 11 11 D H H 11 7.400 7.658 -0.258
5478 13 . 1 1 12 12 L N N 12 125.800 126.817 -1.017
5479 13 . 1 1 12 12 L HA H 12 3.850 4.068 -0.218
5480 13 . 1 1 12 12 L C C 12 179.100 178.791 0.309
5481 13 . 1 1 12 12 L CA C 12 57.800 57.495 0.305
5482 13 . 1 1 12 12 L CB C 12 41.700 42.203 -0.503
5483 13 . 1 1 12 12 L H H 12 8.520 8.808 -0.288
5484 13 . 1 1 13 13 E N N 13 119.800 118.000 1.800
5485 13 . 1 1 13 13 E HA H 13 3.980 4.021 -0.041
5486 13 . 1 1 13 13 E C C 13 178.600 179.208 -0.608
5487 13 . 1 1 13 13 E CA C 13 59.300 59.344 -0.044
5488 13 . 1 1 13 13 E CB C 13 29.100 28.641 0.459
5489 13 . 1 1 13 13 E H H 13 8.140 7.996 0.144
5490 13 . 1 1 14 14 A N N 14 122.200 122.688 -0.488
5491 13 . 1 1 14 14 A HA H 14 3.380 3.025 0.355
5492 13 . 1 1 14 14 A C C 14 179.300 179.195 0.105
5493 13 . 1 1 14 14 A CA C 14 54.400 54.230 0.170
5494 13 . 1 1 14 14 A CB C 14 18.700 17.419 1.281
5495 13 . 1 1 14 14 A H H 14 7.460 7.827 -0.367
5496 13 . 1 1 15 15 F N N 15 115.400 119.946 -4.546
5497 13 . 1 1 15 15 F HA H 15 3.850 3.996 -0.146
5498 13 . 1 1 15 15 F C C 15 177.000 177.115 -0.115
5499 13 . 1 1 15 15 F CA C 15 57.700 60.941 -3.241
5500 13 . 1 1 15 15 F CB C 15 37.500 39.321 -1.821
5501 13 . 1 1 15 15 F H H 15 7.380 7.604 -0.224
5502 13 . 1 1 16 16 E N N 16 118.800 118.995 -0.195
5503 13 . 1 1 16 16 E HA H 16 3.660 3.645 0.015
5504 13 . 1 1 16 16 E C C 16 178.700 178.585 0.115
5505 13 . 1 1 16 16 E CA C 16 59.800 59.372 0.428
5506 13 . 1 1 16 16 E CB C 16 29.100 29.301 -0.201
5507 13 . 1 1 16 16 E H H 16 7.990 8.005 -0.015
5508 13 . 1 1 17 17 K N N 17 118.200 119.620 -1.420
5509 13 . 1 1 17 17 K HA H 17 3.780 3.946 -0.166
5510 13 . 1 1 17 17 K C C 17 179.000 178.879 0.121
5511 13 . 1 1 17 17 K CA C 17 59.600 59.356 0.244
5512 13 . 1 1 17 17 K CB C 17 32.400 32.332 0.068
5513 13 . 1 1 17 17 K H H 17 7.550 7.968 -0.418
5514 13 . 1 1 18 18 A N N 18 122.400 121.748 0.652
5515 13 . 1 1 18 18 A HA H 18 3.890 3.863 0.027
5516 13 . 1 1 18 18 A C C 18 178.900 179.676 -0.776
5517 13 . 1 1 18 18 A CA C 18 54.800 54.836 -0.036
5518 13 . 1 1 18 18 A CB C 18 17.100 17.342 -0.242
5519 13 . 1 1 18 18 A H H 18 8.060 7.489 0.571
5520 13 . 1 1 19 19 L N N 19 118.700 119.190 -0.490
5521 13 . 1 1 19 19 L HA H 19 3.690 3.862 -0.172
5522 13 . 1 1 19 19 L C C 19 177.700 178.204 -0.504
5523 13 . 1 1 19 19 L CA C 19 57.900 57.391 0.509
5524 13 . 1 1 19 19 L CB C 19 41.700 41.206 0.494
5525 13 . 1 1 19 19 L H H 19 8.280 7.313 0.967
5526 13 . 1 1 20 20 K N N 20 116.600 118.078 -1.478
5527 13 . 1 1 20 20 K HA H 20 3.780 3.802 -0.022
5528 13 . 1 1 20 20 K C C 20 179.700 178.626 1.074
5529 13 . 1 1 20 20 K CA C 20 60.000 59.516 0.484
5530 13 . 1 1 20 20 K CB C 20 32.400 32.151 0.249
5531 13 . 1 1 20 20 K H H 20 7.760 8.130 -0.370
5532 13 . 1 1 21 21 E N N 21 118.700 119.170 -0.470
5533 13 . 1 1 21 21 E HA H 21 4.300 4.027 0.273
5534 13 . 1 1 21 21 E C C 21 178.500 179.461 -0.961
5535 13 . 1 1 21 21 E CA C 21 58.400 59.436 -1.036
5536 13 . 1 1 21 21 E CB C 21 29.100 29.443 -0.343
5537 13 . 1 1 21 21 E H H 21 7.750 8.171 -0.421
5538 13 . 1 1 22 22 M N N 22 119.100 119.419 -0.319
5539 13 . 1 1 22 22 M HA H 22 4.390 4.198 0.192
5540 13 . 1 1 22 22 M C C 22 178.800 179.163 -0.363
5541 13 . 1 1 22 22 M CA C 22 57.300 58.882 -1.582
5542 13 . 1 1 22 22 M CB C 22 31.200 33.041 -1.841
5543 13 . 1 1 22 22 M H H 22 8.300 7.874 0.426
5544 13 . 1 1 23 23 I N N 23 120.200 119.639 0.561
5545 13 . 1 1 23 23 I HA H 23 3.550 3.665 -0.115
5546 13 . 1 1 23 23 I C C 23 177.600 177.679 -0.079
5547 13 . 1 1 23 23 I CA C 23 66.100 64.534 1.566
5548 13 . 1 1 23 23 I CB C 23 37.700 37.141 0.559
5549 13 . 1 1 23 23 I H H 23 8.460 7.755 0.705
5550 13 . 1 1 24 24 R N N 24 120.200 120.605 -0.405
5551 13 . 1 1 24 24 R HA H 24 3.890 3.919 -0.029
5552 13 . 1 1 24 24 R C C 24 179.400 179.033 0.367
5553 13 . 1 1 24 24 R CA C 24 59.900 59.921 -0.021
5554 13 . 1 1 24 24 R CB C 24 30.200 30.014 0.186
5555 13 . 1 1 24 24 R H H 24 7.720 8.405 -0.685
5556 13 . 1 1 25 25 Q N N 25 117.100 118.610 -1.510
5557 13 . 1 1 25 25 Q HA H 25 3.930 4.056 -0.126
5558 13 . 1 1 25 25 Q C C 25 177.600 179.021 -1.421
5559 13 . 1 1 25 25 Q CA C 25 58.000 58.783 -0.783
5560 13 . 1 1 25 25 Q CB C 25 27.800 28.380 -0.580
5561 13 . 1 1 25 25 Q H H 25 8.190 8.337 -0.147
5562 13 . 1 1 26 26 A N N 26 120.300 122.610 -2.310
5563 13 . 1 1 26 26 A HA H 26 3.690 4.260 -0.570
5564 13 . 1 1 26 26 A C C 26 179.400 180.043 -0.643
5565 13 . 1 1 26 26 A CA C 26 54.200 55.112 -0.912
5566 13 . 1 1 26 26 A CB C 26 18.300 18.531 -0.231
5567 13 . 1 1 26 26 A H H 26 8.240 8.344 -0.104
5568 13 . 1 1 27 27 R N N 27 117.500 117.946 -0.446
5569 13 . 1 1 27 27 R HA H 27 4.070 4.115 -0.045
5570 13 . 1 1 27 27 R C C 27 178.900 179.052 -0.152
5571 13 . 1 1 27 27 R CA C 27 58.500 59.463 -0.963
5572 13 . 1 1 27 27 R CB C 27 29.700 29.952 -0.252
5573 13 . 1 1 27 27 R H H 27 8.080 8.046 0.034
5574 13 . 1 1 28 28 K N N 28 119.100 117.681 1.419
5575 13 . 1 1 28 28 K HA H 28 4.000 4.001 -0.001
5576 13 . 1 1 28 28 K C C 28 176.900 175.605 1.295
5577 13 . 1 1 28 28 K CA C 28 58.600 58.217 0.383
5578 13 . 1 1 28 28 K CB C 28 32.100 32.683 -0.583
5579 13 . 1 1 28 28 K H H 28 7.520 7.613 -0.093
5580 13 . 1 1 29 29 F N N 29 114.500 116.552 -2.052
5581 13 . 1 1 29 29 F HA H 29 4.930 5.067 -0.137
5582 13 . 1 1 29 29 F C C 29 173.600 174.800 -1.200
5583 13 . 1 1 29 29 F CA C 29 55.800 56.811 -1.011
5584 13 . 1 1 29 29 F CB C 29 39.000 42.683 -3.683
5585 13 . 1 1 29 29 F H H 29 7.010 7.784 -0.774
5586 13 . 1 1 30 30 A N N 30 121.600 123.420 -1.820
5587 13 . 1 1 30 30 A HA H 30 4.130 4.692 -0.562
5588 13 . 1 1 30 30 A C C 30 176.700 176.683 0.017
5589 13 . 1 1 30 30 A CA C 30 52.900 50.890 2.010
5590 13 . 1 1 30 30 A CB C 30 17.000 19.363 -2.363
5591 13 . 1 1 30 30 A H H 30 7.830 8.818 -0.988
5592 13 . 1 1 31 31 G N N 31 105.400 109.189 -3.789
5593 13 . 1 1 31 31 G C C 31 173.100 171.632 1.468
5594 13 . 1 1 31 31 G CA C 31 45.100 45.231 -0.131
5595 13 . 1 1 31 31 G H H 31 7.950 8.546 -0.596
5596 13 . 1 1 32 32 T N N 32 115.700 115.701 -0.001
5597 13 . 1 1 32 32 T HA H 32 4.580 4.870 -0.290
5598 13 . 1 1 32 32 T C C 32 173.100 174.195 -1.095
5599 13 . 1 1 32 32 T CA C 32 61.900 62.588 -0.688
5600 13 . 1 1 32 32 T CB C 32 70.500 69.602 0.898
5601 13 . 1 1 32 32 T H H 32 8.220 8.531 -0.311
5602 13 . 1 1 33 33 V N N 33 125.300 127.850 -2.550
5603 13 . 1 1 33 33 V HA H 33 5.150 4.899 0.251
5604 13 . 1 1 33 33 V C C 33 175.300 174.764 0.536
5605 13 . 1 1 33 33 V CA C 33 60.800 60.519 0.281
5606 13 . 1 1 33 33 V CB C 33 34.300 33.626 0.674
5607 13 . 1 1 33 33 V H H 33 8.610 8.980 -0.370
5608 13 . 1 1 34 34 T N N 34 120.200 121.182 -0.982
5609 13 . 1 1 34 34 T HA H 34 4.670 5.223 -0.553
5610 13 . 1 1 34 34 T CA C 34 60.200 59.593 0.607
5611 13 . 1 1 34 34 T CB C 34 71.600 72.063 -0.463
5612 13 . 1 1 34 34 T H H 34 8.890 8.886 0.004
5613 13 . 1 1 35 35 Y N N 35 118.100 119.875 -1.775
5614 13 . 1 1 35 35 Y HA H 35 5.720 5.614 0.106
5615 13 . 1 1 35 35 Y C C 35 174.400 172.582 1.818
5616 13 . 1 1 35 35 Y CA C 35 56.200 56.221 -0.021
5617 13 . 1 1 35 35 Y CB C 35 41.800 41.564 0.236
5618 13 . 1 1 35 35 Y H H 35 8.360 8.773 -0.413
5619 13 . 1 1 36 36 T N N 36 115.200 115.291 -0.091
5620 13 . 1 1 36 36 T HA H 36 4.400 5.013 -0.613
5621 13 . 1 1 36 36 T CA C 36 60.200 59.955 0.245
5622 13 . 1 1 36 36 T CB C 36 71.800 71.727 0.073
5623 13 . 1 1 36 36 T H H 36 9.020 9.054 -0.034
5624 13 . 1 1 37 37 L N N 37 129.300 128.571 0.729
5625 13 . 1 1 37 37 L HA H 37 5.020 4.834 0.186
5626 13 . 1 1 37 37 L C C 37 174.900 175.557 -0.657
5627 13 . 1 1 37 37 L CA C 37 54.400 54.302 0.098
5628 13 . 1 1 37 37 L CB C 37 43.800 43.416 0.384
5629 13 . 1 1 37 37 L H H 37 8.850 8.853 -0.003
5630 13 . 1 1 38 38 D N N 38 127.200 124.593 2.607
5631 13 . 1 1 38 38 D HA H 38 4.850 4.910 -0.060
5632 13 . 1 1 38 38 D CA C 38 53.000 52.719 0.281
5633 13 . 1 1 38 38 D CB C 38 42.300 42.120 0.180
5634 13 . 1 1 38 38 D H H 38 8.740 8.859 -0.119
5635 13 . 1 1 39 39 G N N 39 114.000 116.325 -2.325
5636 13 . 1 1 39 39 G C C 39 174.000 174.588 -0.588
5637 13 . 1 1 39 39 G CA C 39 47.400 47.298 0.102
5638 13 . 1 1 39 39 G H H 39 8.700 8.994 -0.294
5639 13 . 1 1 40 40 N N N 40 124.400 124.321 0.079
5640 13 . 1 1 40 40 N HA H 40 5.070 4.781 0.289
5641 13 . 1 1 40 40 N C C 40 173.100 174.069 -0.969
5642 13 . 1 1 40 40 N CA C 40 53.200 52.748 0.452
5643 13 . 1 1 40 40 N CB C 40 39.300 39.666 -0.366
5644 13 . 1 1 40 40 N H H 40 8.740 8.319 0.421
5645 13 . 1 1 41 41 D N N 41 118.500 117.567 0.933
5646 13 . 1 1 41 41 D HA H 41 5.410 5.389 0.021
5647 13 . 1 1 41 41 D C C 41 173.600 173.802 -0.202
5648 13 . 1 1 41 41 D CA C 41 53.700 52.252 1.448
5649 13 . 1 1 41 41 D CB C 41 43.800 44.405 -0.605
5650 13 . 1 1 41 41 D H H 41 7.980 7.934 0.046
5651 13 . 1 1 42 42 L N N 42 125.100 124.040 1.060
5652 13 . 1 1 42 42 L HA H 42 4.960 5.301 -0.341
5653 13 . 1 1 42 42 L C C 42 173.600 174.927 -1.327
5654 13 . 1 1 42 42 L CA C 42 53.400 53.607 -0.207
5655 13 . 1 1 42 42 L CB C 42 43.700 45.638 -1.938
5656 13 . 1 1 42 42 L H H 42 8.520 9.339 -0.819
5657 13 . 1 1 43 43 E N N 43 127.800 128.269 -0.469
5658 13 . 1 1 43 43 E HA H 43 5.280 4.935 0.345
5659 13 . 1 1 43 43 E C C 43 174.900 175.250 -0.350
5660 13 . 1 1 43 43 E CA C 43 54.500 55.260 -0.760
5661 13 . 1 1 43 43 E CB C 43 32.000 31.130 0.870
5662 13 . 1 1 43 43 E H H 43 8.990 9.271 -0.281
5663 13 . 1 1 44 44 I N N 44 126.300 128.068 -1.768
5664 13 . 1 1 44 44 I HA H 44 4.760 4.999 -0.239
5665 13 . 1 1 44 44 I C C 44 173.800 174.477 -0.677
5666 13 . 1 1 44 44 I CA C 44 60.000 59.888 0.112
5667 13 . 1 1 44 44 I CB C 44 41.200 40.543 0.657
5668 13 . 1 1 44 44 I H H 44 9.590 9.298 0.292
5669 13 . 1 1 45 45 R N N 45 127.800 127.392 0.408
5670 13 . 1 1 45 45 R HA H 45 5.250 5.197 0.053
5671 13 . 1 1 45 45 R C C 45 175.300 174.479 0.821
5672 13 . 1 1 45 45 R CA C 45 55.000 54.440 0.560
5673 13 . 1 1 45 45 R CB C 45 31.700 33.395 -1.695
5674 13 . 1 1 45 45 R H H 45 9.130 9.280 -0.150
5675 13 . 1 1 46 46 I N N 46 125.800 127.489 -1.689
5676 13 . 1 1 46 46 I HA H 46 5.150 4.908 0.242
5677 13 . 1 1 46 46 I C C 46 175.600 174.869 0.731
5678 13 . 1 1 46 46 I CA C 46 60.100 60.239 -0.139
5679 13 . 1 1 46 46 I CB C 46 39.900 39.576 0.324
5680 13 . 1 1 46 46 I H H 46 9.180 8.796 0.384
5681 13 . 1 1 47 47 T N N 47 118.800 121.829 -3.029
5682 13 . 1 1 47 47 T HA H 47 5.010 4.798 0.212
5683 13 . 1 1 47 47 T C C 47 174.300 174.953 -0.653
5684 13 . 1 1 47 47 T CA C 47 60.100 60.919 -0.819
5685 13 . 1 1 47 47 T CB C 47 70.900 71.529 -0.629
5686 13 . 1 1 47 47 T H H 47 9.020 8.935 0.085
5687 13 . 1 1 48 48 G N N 48 109.000 114.425 -5.425
5688 13 . 1 1 48 48 G C C 48 174.700 173.658 1.042
5689 13 . 1 1 48 48 G CA C 48 46.200 46.039 0.161
5690 13 . 1 1 48 48 G H H 48 8.350 8.133 0.217
5691 13 . 1 1 49 49 V N N 49 114.200 113.274 0.926
5692 13 . 1 1 49 49 V HA H 49 4.260 4.531 -0.271
5693 13 . 1 1 49 49 V CA C 49 58.200 57.839 0.361
5694 13 . 1 1 49 49 V CB C 49 32.500 34.292 -1.792
5695 13 . 1 1 49 49 V H H 49 7.760 7.510 0.250
5696 13 . 1 1 50 50 P HA H 50 4.580 4.710 -0.130
5697 13 . 1 1 50 50 P C C 50 177.200 176.977 0.223
5698 13 . 1 1 50 50 P CA C 50 61.800 61.640 0.160
5699 13 . 1 1 50 50 P CB C 50 32.500 32.896 -0.396
5700 13 . 1 1 51 51 E N N 51 123.400 122.358 1.042
5701 13 . 1 1 51 51 E HA H 51 4.000 3.913 0.087
5702 13 . 1 1 51 51 E C C 51 178.500 178.357 0.143
5703 13 . 1 1 51 51 E CA C 51 59.500 59.599 -0.099
5704 13 . 1 1 51 51 E CB C 51 29.300 29.308 -0.008
5705 13 . 1 1 51 51 E H H 51 8.890 9.046 -0.156
5706 13 . 1 1 52 52 Q N N 52 115.200 116.318 -1.118
5707 13 . 1 1 52 52 Q HA H 52 4.100 4.110 -0.010
5708 13 . 1 1 52 52 Q C C 52 177.300 176.473 0.827
5709 13 . 1 1 52 52 Q CA C 52 58.600 58.097 0.503
5710 13 . 1 1 52 52 Q CB C 52 27.700 27.596 0.104
5711 13 . 1 1 52 52 Q H H 52 8.910 8.733 0.177
5712 13 . 1 1 53 53 V N N 53 114.900 118.701 -3.801
5713 13 . 1 1 53 53 V HA H 53 4.120 4.232 -0.112
5714 13 . 1 1 53 53 V C C 53 176.100 176.519 -0.419
5715 13 . 1 1 53 53 V CA C 53 62.100 62.303 -0.203
5716 13 . 1 1 53 53 V CB C 53 31.900 32.406 -0.506
5717 13 . 1 1 53 53 V H H 53 7.080 7.268 -0.188
5718 13 . 1 1 54 54 R N N 54 121.500 123.870 -2.370
5719 13 . 1 1 54 54 R HA H 54 3.620 3.868 -0.248
5720 13 . 1 1 54 54 R C C 54 177.100 178.659 -1.559
5721 13 . 1 1 54 54 R CA C 54 60.400 59.699 0.701
5722 13 . 1 1 54 54 R CB C 54 29.700 30.127 -0.427
5723 13 . 1 1 54 54 R H H 54 7.510 7.985 -0.475
5724 13 . 1 1 55 55 K N N 55 116.800 117.792 -0.992
5725 13 . 1 1 55 55 K HA H 55 3.890 4.067 -0.177
5726 13 . 1 1 55 55 K C C 55 176.000 179.206 -3.206
5727 13 . 1 1 55 55 K CA C 55 59.600 59.387 0.213
5728 13 . 1 1 55 55 K CB C 55 31.800 32.064 -0.264
5729 13 . 1 1 55 55 K H H 55 8.170 8.059 0.111
5730 13 . 1 1 56 56 E N N 56 120.200 120.471 -0.271
5731 13 . 1 1 56 56 E HA H 56 4.050 4.091 -0.041
5732 13 . 1 1 56 56 E CA C 56 59.100 58.892 0.208
5733 13 . 1 1 56 56 E CB C 56 29.200 29.455 -0.255
5734 13 . 1 1 56 56 E H H 56 7.600 8.077 -0.477
5735 13 . 1 1 57 57 L N N 57 120.200 119.357 0.843
5736 13 . 1 1 57 57 L C C 57 178.300 178.906 -0.606
5737 13 . 1 1 57 57 L CA C 57 57.700 57.887 -0.187
5738 13 . 1 1 57 57 L CB C 57 42.000 41.270 0.730
5739 13 . 1 1 57 57 L H H 57 7.980 8.247 -0.267
5740 13 . 1 1 58 58 A N N 58 120.600 121.944 -1.344
5741 13 . 1 1 58 58 A HA H 58 3.400 3.764 -0.364
5742 13 . 1 1 58 58 A C C 58 178.600 179.425 -0.825
5743 13 . 1 1 58 58 A CA C 58 55.200 55.378 -0.178
5744 13 . 1 1 58 58 A CB C 58 17.600 18.553 -0.953
5745 13 . 1 1 58 58 A H H 58 7.820 8.093 -0.273
5746 13 . 1 1 59 59 K N N 59 116.600 117.860 -1.260
5747 13 . 1 1 59 59 K HA H 59 3.990 4.236 -0.246
5748 13 . 1 1 59 59 K C C 59 179.900 178.452 1.448
5749 13 . 1 1 59 59 K CA C 59 59.400 59.071 0.329
5750 13 . 1 1 59 59 K CB C 59 32.000 31.728 0.272
5751 13 . 1 1 59 59 K H H 59 7.630 7.575 0.055
5752 13 . 1 1 60 60 E N N 60 120.700 119.052 1.648
5753 13 . 1 1 60 60 E HA H 60 4.390 4.055 0.335
5754 13 . 1 1 60 60 E C C 60 178.100 178.564 -0.464
5755 13 . 1 1 60 60 E CA C 60 58.100 59.300 -1.200
5756 13 . 1 1 60 60 E CB C 60 28.800 29.242 -0.442
5757 13 . 1 1 60 60 E H H 60 7.950 8.294 -0.344
5758 13 . 1 1 61 61 A N N 61 122.400 121.976 0.424
5759 13 . 1 1 61 61 A HA H 61 4.160 4.155 0.005
5760 13 . 1 1 61 61 A C C 61 179.100 179.986 -0.886
5761 13 . 1 1 61 61 A CA C 61 56.000 54.776 1.224
5762 13 . 1 1 61 61 A CB C 61 17.300 18.317 -1.017
5763 13 . 1 1 61 61 A H H 61 8.300 8.180 0.120
5764 13 . 1 1 62 62 E N N 62 115.600 117.666 -2.066
5765 13 . 1 1 62 62 E HA H 62 4.040 3.994 0.046
5766 13 . 1 1 62 62 E C C 62 179.200 179.130 0.070
5767 13 . 1 1 62 62 E CA C 62 59.200 59.577 -0.377
5768 13 . 1 1 62 62 E CB C 62 29.300 29.629 -0.329
5769 13 . 1 1 62 62 E H H 62 8.100 8.091 0.009
5770 13 . 1 1 63 63 R N N 63 122.800 120.655 2.145
5771 13 . 1 1 63 63 R HA H 63 4.040 4.073 -0.033
5772 13 . 1 1 63 63 R C C 63 179.100 179.010 0.090
5773 13 . 1 1 63 63 R CA C 63 59.600 58.892 0.708
5774 13 . 1 1 63 63 R CB C 63 29.800 29.850 -0.050
5775 13 . 1 1 63 63 R H H 63 8.250 7.413 0.837
5776 13 . 1 1 64 64 L N N 64 120.800 119.973 0.827
5777 13 . 1 1 64 64 L HA H 64 3.870 4.112 -0.242
5778 13 . 1 1 64 64 L C C 64 178.200 179.344 -1.144
5779 13 . 1 1 64 64 L CA C 64 57.500 57.999 -0.499
5780 13 . 1 1 64 64 L CB C 64 42.300 41.591 0.709
5781 13 . 1 1 64 64 L H H 64 8.460 8.121 0.339
5782 13 . 1 1 65 65 A N N 65 120.200 122.181 -1.981
5783 13 . 1 1 65 65 A HA H 65 4.050 4.242 -0.192
5784 13 . 1 1 65 65 A C C 65 179.500 180.134 -0.634
5785 13 . 1 1 65 65 A CA C 65 55.200 55.657 -0.457
5786 13 . 1 1 65 65 A CB C 65 17.900 18.660 -0.760
5787 13 . 1 1 65 65 A H H 65 8.190 7.960 0.230
5788 13 . 1 1 66 66 K N N 66 116.500 117.547 -1.047
5789 13 . 1 1 66 66 K HA H 66 4.190 4.042 0.148
5790 13 . 1 1 66 66 K C C 66 178.800 179.267 -0.467
5791 13 . 1 1 66 66 K CA C 66 58.900 59.209 -0.309
5792 13 . 1 1 66 66 K CB C 66 32.300 31.993 0.307
5793 13 . 1 1 66 66 K H H 66 7.700 8.596 -0.896
5794 13 . 1 1 67 67 E N N 67 120.200 119.808 0.392
5795 13 . 1 1 67 67 E HA H 67 3.840 3.958 -0.118
5796 13 . 1 1 67 67 E C C 67 178.000 178.051 -0.051
5797 13 . 1 1 67 67 E CA C 67 59.100 59.356 -0.256
5798 13 . 1 1 67 67 E CB C 67 29.300 29.475 -0.175
5799 13 . 1 1 67 67 E H H 67 8.270 8.051 0.219
5800 13 . 1 1 68 68 F N N 68 113.400 114.414 -1.014
5801 13 . 1 1 68 68 F HA H 68 4.760 4.523 0.237
5802 13 . 1 1 68 68 F C C 68 174.400 174.627 -0.227
5803 13 . 1 1 68 68 F CA C 68 56.300 57.975 -1.675
5804 13 . 1 1 68 68 F CB C 68 39.400 39.505 -0.105
5805 13 . 1 1 68 68 F H H 68 7.800 7.839 -0.039
5806 13 . 1 1 69 69 N N N 69 118.200 113.734 4.466
5807 13 . 1 1 69 69 N HA H 69 4.510 4.376 0.134
5808 13 . 1 1 69 69 N CA C 69 54.200 54.542 -0.342
5809 13 . 1 1 69 69 N CB C 69 37.000 37.227 -0.227
5810 13 . 1 1 69 69 N H H 69 7.950 7.918 0.032
5811 13 . 1 1 70 70 I N N 70 113.900 115.700 -1.800
5812 13 . 1 1 70 70 I HA H 70 4.950 4.381 0.569
5813 13 . 1 1 70 70 I CA C 70 59.800 59.704 0.096
5814 13 . 1 1 70 70 I CB C 70 40.000 39.395 0.605
5815 13 . 1 1 70 70 I H H 70 8.480 7.938 0.542
5816 13 . 1 1 71 71 T N N 71 113.600 119.019 -5.419
5817 13 . 1 1 71 71 T HA H 71 4.820 4.834 -0.014
5818 13 . 1 1 71 71 T C C 71 173.500 173.875 -0.375
5819 13 . 1 1 71 71 T CA C 71 61.500 62.451 -0.951
5820 13 . 1 1 71 71 T CB C 71 71.200 70.465 0.735
5821 13 . 1 1 71 71 T H H 71 8.520 8.851 -0.331
5822 13 . 1 1 72 72 V N N 72 122.600 123.459 -0.859
5823 13 . 1 1 72 72 V HA H 72 5.330 5.146 0.184
5824 13 . 1 1 72 72 V C C 72 173.200 173.828 -0.628
5825 13 . 1 1 72 72 V CA C 72 59.200 60.439 -1.239
5826 13 . 1 1 72 72 V CB C 72 35.800 35.462 0.338
5827 13 . 1 1 72 72 V H H 72 8.720 8.713 0.007
5828 13 . 1 1 73 73 T N N 73 119.300 121.039 -1.739
5829 13 . 1 1 73 73 T HA H 73 4.410 5.407 -0.997
5830 13 . 1 1 73 73 T CA C 73 60.100 60.410 -0.310
5831 13 . 1 1 73 73 T CB C 73 71.800 70.802 0.998
5832 13 . 1 1 73 73 T H H 73 8.430 8.972 -0.542
5833 13 . 1 1 74 74 Y N N 74 118.100 119.448 -1.348
5834 13 . 1 1 74 74 Y HA H 74 5.530 6.274 -0.744
5835 13 . 1 1 74 74 Y CA C 74 55.900 55.149 0.751
5836 13 . 1 1 74 74 Y CB C 74 41.600 42.042 -0.442
5837 13 . 1 1 74 74 Y H H 74 8.120 8.569 -0.449
5838 13 . 1 1 75 75 T N N 75 115.000 116.121 -1.121
5839 13 . 1 1 75 75 T HA H 75 4.590 5.062 -0.472
5840 13 . 1 1 75 75 T CA C 75 60.700 61.238 -0.538
5841 13 . 1 1 75 75 T CB C 75 71.700 72.705 -1.005
5842 13 . 1 1 75 75 T H H 75 8.810 8.887 -0.077
5843 13 . 1 1 76 76 I N N 76 124.400 125.480 -1.080
5844 13 . 1 1 76 76 I HA H 76 4.800 4.630 0.170
5845 13 . 1 1 76 76 I C C 76 175.300 174.968 0.332
5846 13 . 1 1 76 76 I CA C 76 59.900 60.192 -0.292
5847 13 . 1 1 76 76 I CB C 76 39.500 38.741 0.759
5848 13 . 1 1 76 76 I H H 76 8.650 9.025 -0.375
5849 13 . 1 1 77 77 R N N 77 125.900 127.878 -1.978
5850 13 . 1 1 77 77 R HA H 77 4.570 4.707 -0.137
5851 13 . 1 1 77 77 R CA C 77 55.100 55.914 -0.814
5852 13 . 1 1 77 77 R CB C 77 32.500 30.823 1.677
5853 13 . 1 1 77 77 R H H 77 8.680 8.978 -0.298
5854 13 . 1 1 78 78 L N N 78 124.400 125.991 -1.591
5855 13 . 1 1 78 78 L HA H 78 4.320 4.881 -0.561
5856 13 . 1 1 78 78 L C C 78 177.000 175.903 1.097
5857 13 . 1 1 78 78 L CA C 78 55.200 53.416 1.784
5858 13 . 1 1 78 78 L CB C 78 42.200 43.694 -1.494
5859 13 . 1 1 78 78 L H H 78 8.500 8.919 -0.419
5860 13 . 1 1 79 79 E N N 79 121.300 121.261 0.039
5861 13 . 1 1 79 79 E HA H 79 4.150 4.424 -0.274
5862 13 . 1 1 79 79 E C C 79 173.700 176.969 -3.269
5863 13 . 1 1 79 79 E CA C 79 55.400 56.653 -1.253
5864 13 . 1 1 79 79 E CB C 79 30.100 30.558 -0.458
5865 13 . 1 1 79 79 E H H 79 8.310 8.602 -0.292
5866 13 . 1 1 80 80 H N N 80 125.300 123.178 2.122
5867 13 . 1 1 80 80 H HA H 80 4.580 4.568 0.012
5868 13 . 1 1 80 80 H CA C 80 57.100 55.375 1.725
5869 13 . 1 1 80 80 H CB C 80 30.300 28.893 1.407
5870 13 . 1 1 80 80 H H H 80 8.090 8.608 -0.518
5871 14 . 1 1 2 2 E N N 2 121.100 127.881 -6.781
5872 14 . 1 1 2 2 E HA H 2 5.260 5.013 0.247
5873 14 . 1 1 2 2 E C C 2 174.300 174.749 -0.449
5874 14 . 1 1 2 2 E CA C 2 54.300 55.400 -1.100
5875 14 . 1 1 2 2 E CB C 2 32.400 32.338 0.062
5876 14 . 1 1 2 2 E H H 2 8.720 9.003 -0.283
5877 14 . 1 1 3 3 M N N 3 122.600 125.533 -2.933
5878 14 . 1 1 3 3 M HA H 3 5.120 5.163 -0.043
5879 14 . 1 1 3 3 M C C 3 172.600 173.588 -0.988
5880 14 . 1 1 3 3 M CA C 3 54.600 54.288 0.312
5881 14 . 1 1 3 3 M CB C 3 37.000 35.845 1.155
5882 14 . 1 1 3 3 M H H 3 8.990 9.006 -0.016
5883 14 . 1 1 4 4 D N N 4 126.300 128.294 -1.994
5884 14 . 1 1 4 4 D HA H 4 5.650 5.281 0.369
5885 14 . 1 1 4 4 D C C 4 175.000 174.896 0.104
5886 14 . 1 1 4 4 D CA C 4 52.600 52.890 -0.290
5887 14 . 1 1 4 4 D CB C 4 41.800 42.779 -0.979
5888 14 . 1 1 4 4 D H H 4 8.810 9.256 -0.446
5889 14 . 1 1 5 5 I N N 5 124.600 126.248 -1.648
5890 14 . 1 1 5 5 I HA H 5 4.470 4.983 -0.513
5891 14 . 1 1 5 5 I C C 5 173.600 175.373 -1.773
5892 14 . 1 1 5 5 I CA C 5 60.500 59.383 1.117
5893 14 . 1 1 5 5 I CB C 5 41.100 40.283 0.817
5894 14 . 1 1 5 5 I H H 5 9.520 9.251 0.269
5895 14 . 1 1 6 6 R N N 6 127.500 124.816 2.684
5896 14 . 1 1 6 6 R HA H 6 5.410 5.367 0.043
5897 14 . 1 1 6 6 R C C 6 175.300 174.858 0.442
5898 14 . 1 1 6 6 R CA C 6 54.400 54.456 -0.056
5899 14 . 1 1 6 6 R CB C 6 32.500 33.666 -1.166
5900 14 . 1 1 6 6 R H H 6 8.970 8.886 0.084
5901 14 . 1 1 7 7 F N N 7 125.400 122.816 2.584
5902 14 . 1 1 7 7 F HA H 7 5.720 5.071 0.649
5903 14 . 1 1 7 7 F C C 7 174.800 174.588 0.212
5904 14 . 1 1 7 7 F CA C 7 56.000 57.019 -1.019
5905 14 . 1 1 7 7 F CB C 7 42.300 40.956 1.344
5906 14 . 1 1 7 7 F H H 7 9.530 9.214 0.316
5907 14 . 1 1 8 8 R N N 8 121.100 125.131 -4.031
5908 14 . 1 1 8 8 R HA H 8 5.700 5.243 0.457
5909 14 . 1 1 8 8 R C C 8 175.400 175.557 -0.157
5910 14 . 1 1 8 8 R CA C 8 54.500 54.940 -0.440
5911 14 . 1 1 8 8 R CB C 8 33.800 31.966 1.834
5912 14 . 1 1 8 8 R H H 8 8.770 9.387 -0.617
5913 14 . 1 1 9 9 G N N 9 111.500 112.779 -1.279
5914 14 . 1 1 9 9 G C C 9 171.200 173.188 -1.988
5915 14 . 1 1 9 9 G CA C 9 45.200 45.794 -0.594
5916 14 . 1 1 9 9 G H H 9 8.630 8.588 0.042
5917 14 . 1 1 10 10 D N N 10 117.300 119.297 -1.997
5918 14 . 1 1 10 10 D HA H 10 4.710 4.673 0.037
5919 14 . 1 1 10 10 D C C 10 175.300 176.153 -0.853
5920 14 . 1 1 10 10 D CA C 10 53.400 53.909 -0.509
5921 14 . 1 1 10 10 D CB C 10 41.400 40.671 0.729
5922 14 . 1 1 10 10 D H H 10 8.230 8.713 -0.483
5923 14 . 1 1 11 11 D N N 11 119.000 121.598 -2.598
5924 14 . 1 1 11 11 D HA H 11 4.690 4.606 0.084
5925 14 . 1 1 11 11 D C C 11 175.500 176.092 -0.592
5926 14 . 1 1 11 11 D CA C 11 52.600 54.214 -1.614
5927 14 . 1 1 11 11 D CB C 11 41.500 41.115 0.385
5928 14 . 1 1 11 11 D H H 11 7.400 7.433 -0.033
5929 14 . 1 1 12 12 L N N 12 125.800 126.844 -1.044
5930 14 . 1 1 12 12 L HA H 12 3.850 4.091 -0.241
5931 14 . 1 1 12 12 L C C 12 179.100 177.750 1.350
5932 14 . 1 1 12 12 L CA C 12 57.800 58.395 -0.595
5933 14 . 1 1 12 12 L CB C 12 41.700 41.495 0.205
5934 14 . 1 1 12 12 L H H 12 8.520 8.877 -0.357
5935 14 . 1 1 13 13 E N N 13 119.800 118.896 0.904
5936 14 . 1 1 13 13 E HA H 13 3.980 4.000 -0.020
5937 14 . 1 1 13 13 E C C 13 178.600 178.444 0.156
5938 14 . 1 1 13 13 E CA C 13 59.300 59.790 -0.490
5939 14 . 1 1 13 13 E CB C 13 29.100 29.257 -0.157
5940 14 . 1 1 13 13 E H H 13 8.140 8.626 -0.486
5941 14 . 1 1 14 14 A N N 14 122.200 121.485 0.715
5942 14 . 1 1 14 14 A HA H 14 3.380 3.027 0.353
5943 14 . 1 1 14 14 A C C 14 179.300 179.068 0.232
5944 14 . 1 1 14 14 A CA C 14 54.400 54.282 0.118
5945 14 . 1 1 14 14 A CB C 14 18.700 17.452 1.248
5946 14 . 1 1 14 14 A H H 14 7.460 7.735 -0.275
5947 14 . 1 1 15 15 F N N 15 115.400 119.716 -4.316
5948 14 . 1 1 15 15 F HA H 15 3.850 3.952 -0.102
5949 14 . 1 1 15 15 F C C 15 177.000 177.269 -0.269
5950 14 . 1 1 15 15 F CA C 15 57.700 60.956 -3.256
5951 14 . 1 1 15 15 F CB C 15 37.500 39.289 -1.789
5952 14 . 1 1 15 15 F H H 15 7.380 7.973 -0.593
5953 14 . 1 1 16 16 E N N 16 118.800 117.793 1.007
5954 14 . 1 1 16 16 E HA H 16 3.660 3.476 0.184
5955 14 . 1 1 16 16 E C C 16 178.700 178.627 0.073
5956 14 . 1 1 16 16 E CA C 16 59.800 59.613 0.187
5957 14 . 1 1 16 16 E CB C 16 29.100 29.171 -0.071
5958 14 . 1 1 16 16 E H H 16 7.990 8.202 -0.212
5959 14 . 1 1 17 17 K N N 17 118.200 119.645 -1.445
5960 14 . 1 1 17 17 K HA H 17 3.780 3.971 -0.191
5961 14 . 1 1 17 17 K C C 17 179.000 178.739 0.261
5962 14 . 1 1 17 17 K CA C 17 59.600 59.431 0.169
5963 14 . 1 1 17 17 K CB C 17 32.400 32.472 -0.072
5964 14 . 1 1 17 17 K H H 17 7.550 7.969 -0.419
5965 14 . 1 1 18 18 A N N 18 122.400 121.789 0.611
5966 14 . 1 1 18 18 A HA H 18 3.890 3.784 0.106
5967 14 . 1 1 18 18 A C C 18 178.900 179.544 -0.644
5968 14 . 1 1 18 18 A CA C 18 54.800 54.876 -0.076
5969 14 . 1 1 18 18 A CB C 18 17.100 17.548 -0.448
5970 14 . 1 1 18 18 A H H 18 8.060 7.897 0.163
5971 14 . 1 1 19 19 L N N 19 118.700 119.073 -0.373
5972 14 . 1 1 19 19 L HA H 19 3.690 3.917 -0.227
5973 14 . 1 1 19 19 L C C 19 177.700 178.183 -0.483
5974 14 . 1 1 19 19 L CA C 19 57.900 57.257 0.643
5975 14 . 1 1 19 19 L CB C 19 41.700 41.471 0.229
5976 14 . 1 1 19 19 L H H 19 8.280 7.429 0.851
5977 14 . 1 1 20 20 K N N 20 116.600 118.560 -1.960
5978 14 . 1 1 20 20 K HA H 20 3.780 3.843 -0.063
5979 14 . 1 1 20 20 K C C 20 179.700 178.744 0.956
5980 14 . 1 1 20 20 K CA C 20 60.000 59.704 0.296
5981 14 . 1 1 20 20 K CB C 20 32.400 32.362 0.038
5982 14 . 1 1 20 20 K H H 20 7.760 7.988 -0.228
5983 14 . 1 1 21 21 E N N 21 118.700 119.215 -0.515
5984 14 . 1 1 21 21 E HA H 21 4.300 4.043 0.257
5985 14 . 1 1 21 21 E C C 21 178.500 179.486 -0.986
5986 14 . 1 1 21 21 E CA C 21 58.400 59.403 -1.003
5987 14 . 1 1 21 21 E CB C 21 29.100 29.769 -0.669
5988 14 . 1 1 21 21 E H H 21 7.750 8.172 -0.422
5989 14 . 1 1 22 22 M N N 22 119.100 119.420 -0.320
5990 14 . 1 1 22 22 M HA H 22 4.390 4.127 0.263
5991 14 . 1 1 22 22 M C C 22 178.800 178.674 0.126
5992 14 . 1 1 22 22 M CA C 22 57.300 58.506 -1.206
5993 14 . 1 1 22 22 M CB C 22 31.200 32.867 -1.667
5994 14 . 1 1 22 22 M H H 22 8.300 7.844 0.456
5995 14 . 1 1 23 23 I N N 23 120.200 119.365 0.835
5996 14 . 1 1 23 23 I HA H 23 3.550 3.624 -0.074
5997 14 . 1 1 23 23 I C C 23 177.600 177.901 -0.301
5998 14 . 1 1 23 23 I CA C 23 66.100 64.888 1.212
5999 14 . 1 1 23 23 I CB C 23 37.700 37.575 0.125
6000 14 . 1 1 23 23 I H H 23 8.460 8.042 0.418
6001 14 . 1 1 24 24 R N N 24 120.200 120.592 -0.392
6002 14 . 1 1 24 24 R HA H 24 3.890 3.936 -0.046
6003 14 . 1 1 24 24 R C C 24 179.400 179.018 0.382
6004 14 . 1 1 24 24 R CA C 24 59.900 59.882 0.018
6005 14 . 1 1 24 24 R CB C 24 30.200 30.086 0.114
6006 14 . 1 1 24 24 R H H 24 7.720 8.385 -0.665
6007 14 . 1 1 25 25 Q N N 25 117.100 118.114 -1.014
6008 14 . 1 1 25 25 Q HA H 25 3.930 4.095 -0.165
6009 14 . 1 1 25 25 Q C C 25 177.600 178.865 -1.265
6010 14 . 1 1 25 25 Q CA C 25 58.000 58.734 -0.734
6011 14 . 1 1 25 25 Q CB C 25 27.800 28.544 -0.744
6012 14 . 1 1 25 25 Q H H 25 8.190 7.853 0.337
6013 14 . 1 1 26 26 A N N 26 120.300 122.833 -2.533
6014 14 . 1 1 26 26 A HA H 26 3.690 4.311 -0.621
6015 14 . 1 1 26 26 A C C 26 179.400 179.770 -0.370
6016 14 . 1 1 26 26 A CA C 26 54.200 54.846 -0.646
6017 14 . 1 1 26 26 A CB C 26 18.300 18.532 -0.232
6018 14 . 1 1 26 26 A H H 26 8.240 7.939 0.301
6019 14 . 1 1 27 27 R N N 27 117.500 117.958 -0.458
6020 14 . 1 1 27 27 R HA H 27 4.070 4.143 -0.073
6021 14 . 1 1 27 27 R C C 27 178.900 178.424 0.476
6022 14 . 1 1 27 27 R CA C 27 58.500 59.468 -0.968
6023 14 . 1 1 27 27 R CB C 27 29.700 30.058 -0.358
6024 14 . 1 1 27 27 R H H 27 8.080 8.168 -0.088
6025 14 . 1 1 28 28 K N N 28 119.100 117.047 2.053
6026 14 . 1 1 28 28 K HA H 28 4.000 4.125 -0.125
6027 14 . 1 1 28 28 K C C 28 176.900 176.266 0.634
6028 14 . 1 1 28 28 K CA C 28 58.600 57.613 0.987
6029 14 . 1 1 28 28 K CB C 28 32.100 32.858 -0.758
6030 14 . 1 1 28 28 K H H 28 7.520 7.321 0.199
6031 14 . 1 1 29 29 F N N 29 114.500 117.985 -3.485
6032 14 . 1 1 29 29 F HA H 29 4.930 4.886 0.044
6033 14 . 1 1 29 29 F C C 29 173.600 175.829 -2.229
6034 14 . 1 1 29 29 F CA C 29 55.800 57.571 -1.771
6035 14 . 1 1 29 29 F CB C 29 39.000 41.699 -2.699
6036 14 . 1 1 29 29 F H H 29 7.010 7.977 -0.967
6037 14 . 1 1 30 30 A N N 30 121.600 122.574 -0.974
6038 14 . 1 1 30 30 A HA H 30 4.130 4.593 -0.463
6039 14 . 1 1 30 30 A C C 30 176.700 177.376 -0.676
6040 14 . 1 1 30 30 A CA C 30 52.900 51.798 1.102
6041 14 . 1 1 30 30 A CB C 30 17.000 19.079 -2.079
6042 14 . 1 1 30 30 A H H 30 7.830 8.653 -0.823
6043 14 . 1 1 31 31 G N N 31 105.400 106.911 -1.511
6044 14 . 1 1 31 31 G C C 31 173.100 172.767 0.333
6045 14 . 1 1 31 31 G CA C 31 45.100 44.716 0.384
6046 14 . 1 1 31 31 G H H 31 7.950 8.197 -0.247
6047 14 . 1 1 32 32 T N N 32 115.700 120.369 -4.669
6048 14 . 1 1 32 32 T HA H 32 4.580 4.822 -0.242
6049 14 . 1 1 32 32 T C C 32 173.100 174.146 -1.046
6050 14 . 1 1 32 32 T CA C 32 61.900 63.037 -1.137
6051 14 . 1 1 32 32 T CB C 32 70.500 69.204 1.296
6052 14 . 1 1 32 32 T H H 32 8.220 9.088 -0.868
6053 14 . 1 1 33 33 V N N 33 125.300 128.211 -2.911
6054 14 . 1 1 33 33 V HA H 33 5.150 4.838 0.312
6055 14 . 1 1 33 33 V C C 33 175.300 175.220 0.080
6056 14 . 1 1 33 33 V CA C 33 60.800 61.188 -0.388
6057 14 . 1 1 33 33 V CB C 33 34.300 32.659 1.641
6058 14 . 1 1 33 33 V H H 33 8.610 9.129 -0.519
6059 14 . 1 1 34 34 T N N 34 120.200 122.369 -2.169
6060 14 . 1 1 34 34 T HA H 34 4.670 5.236 -0.566
6061 14 . 1 1 34 34 T CA C 34 60.200 59.479 0.721
6062 14 . 1 1 34 34 T CB C 34 71.600 72.141 -0.541
6063 14 . 1 1 34 34 T H H 34 8.890 9.148 -0.258
6064 14 . 1 1 35 35 Y N N 35 118.100 120.550 -2.450
6065 14 . 1 1 35 35 Y HA H 35 5.720 6.065 -0.345
6066 14 . 1 1 35 35 Y C C 35 174.400 173.263 1.137
6067 14 . 1 1 35 35 Y CA C 35 56.200 55.622 0.578
6068 14 . 1 1 35 35 Y CB C 35 41.800 42.210 -0.410
6069 14 . 1 1 35 35 Y H H 35 8.360 8.765 -0.405
6070 14 . 1 1 36 36 T N N 36 115.200 114.140 1.060
6071 14 . 1 1 36 36 T HA H 36 4.400 5.189 -0.789
6072 14 . 1 1 36 36 T CA C 36 60.200 60.560 -0.360
6073 14 . 1 1 36 36 T CB C 36 71.800 71.597 0.203
6074 14 . 1 1 36 36 T H H 36 9.020 9.198 -0.178
6075 14 . 1 1 37 37 L N N 37 129.300 126.415 2.885
6076 14 . 1 1 37 37 L HA H 37 5.020 4.883 0.137
6077 14 . 1 1 37 37 L C C 37 174.900 174.846 0.054
6078 14 . 1 1 37 37 L CA C 37 54.400 54.091 0.309
6079 14 . 1 1 37 37 L CB C 37 43.800 42.123 1.677
6080 14 . 1 1 37 37 L H H 37 8.850 9.046 -0.196
6081 14 . 1 1 38 38 D N N 38 127.200 125.001 2.199
6082 14 . 1 1 38 38 D HA H 38 4.850 4.956 -0.106
6083 14 . 1 1 38 38 D CA C 38 53.000 52.496 0.504
6084 14 . 1 1 38 38 D CB C 38 42.300 41.907 0.393
6085 14 . 1 1 38 38 D H H 38 8.740 8.979 -0.239
6086 14 . 1 1 39 39 G N N 39 114.000 115.565 -1.565
6087 14 . 1 1 39 39 G C C 39 174.000 174.744 -0.744
6088 14 . 1 1 39 39 G CA C 39 47.400 47.300 0.100
6089 14 . 1 1 39 39 G H H 39 8.700 8.909 -0.209
6090 14 . 1 1 40 40 N N N 40 124.400 124.558 -0.158
6091 14 . 1 1 40 40 N HA H 40 5.070 4.805 0.265
6092 14 . 1 1 40 40 N C C 40 173.100 173.749 -0.649
6093 14 . 1 1 40 40 N CA C 40 53.200 52.971 0.229
6094 14 . 1 1 40 40 N CB C 40 39.300 39.001 0.299
6095 14 . 1 1 40 40 N H H 40 8.740 8.725 0.015
6096 14 . 1 1 41 41 D N N 41 118.500 121.183 -2.683
6097 14 . 1 1 41 41 D HA H 41 5.410 5.673 -0.263
6098 14 . 1 1 41 41 D C C 41 173.600 173.989 -0.389
6099 14 . 1 1 41 41 D CA C 41 53.700 52.615 1.085
6100 14 . 1 1 41 41 D CB C 41 43.800 44.004 -0.204
6101 14 . 1 1 41 41 D H H 41 7.980 7.707 0.273
6102 14 . 1 1 42 42 L N N 42 125.100 127.842 -2.742
6103 14 . 1 1 42 42 L HA H 42 4.960 5.026 -0.066
6104 14 . 1 1 42 42 L C C 42 173.600 175.057 -1.457
6105 14 . 1 1 42 42 L CA C 42 53.400 54.099 -0.699
6106 14 . 1 1 42 42 L CB C 42 43.700 44.149 -0.449
6107 14 . 1 1 42 42 L H H 42 8.520 9.287 -0.767
6108 14 . 1 1 43 43 E N N 43 127.800 126.592 1.208
6109 14 . 1 1 43 43 E HA H 43 5.280 4.718 0.562
6110 14 . 1 1 43 43 E C C 43 174.900 175.516 -0.616
6111 14 . 1 1 43 43 E CA C 43 54.500 56.254 -1.754
6112 14 . 1 1 43 43 E CB C 43 32.000 30.365 1.635
6113 14 . 1 1 43 43 E H H 43 8.990 9.172 -0.182
6114 14 . 1 1 44 44 I N N 44 126.300 126.716 -0.416
6115 14 . 1 1 44 44 I HA H 44 4.760 4.899 -0.139
6116 14 . 1 1 44 44 I C C 44 173.800 174.568 -0.768
6117 14 . 1 1 44 44 I CA C 44 60.000 60.625 -0.625
6118 14 . 1 1 44 44 I CB C 44 41.200 38.622 2.578
6119 14 . 1 1 44 44 I H H 44 9.590 9.422 0.168
6120 14 . 1 1 45 45 R N N 45 127.800 129.079 -1.279
6121 14 . 1 1 45 45 R HA H 45 5.250 5.080 0.170
6122 14 . 1 1 45 45 R C C 45 175.300 174.721 0.579
6123 14 . 1 1 45 45 R CA C 45 55.000 54.717 0.283
6124 14 . 1 1 45 45 R CB C 45 31.700 32.968 -1.268
6125 14 . 1 1 45 45 R H H 45 9.130 9.451 -0.321
6126 14 . 1 1 46 46 I N N 46 125.800 129.406 -3.606
6127 14 . 1 1 46 46 I HA H 46 5.150 5.007 0.143
6128 14 . 1 1 46 46 I C C 46 175.600 174.761 0.839
6129 14 . 1 1 46 46 I CA C 46 60.100 60.027 0.073
6130 14 . 1 1 46 46 I CB C 46 39.900 39.384 0.516
6131 14 . 1 1 46 46 I H H 46 9.180 9.278 -0.098
6132 14 . 1 1 47 47 T N N 47 118.800 121.406 -2.606
6133 14 . 1 1 47 47 T HA H 47 5.010 4.832 0.178
6134 14 . 1 1 47 47 T C C 47 174.300 175.219 -0.919
6135 14 . 1 1 47 47 T CA C 47 60.100 60.985 -0.885
6136 14 . 1 1 47 47 T CB C 47 70.900 71.188 -0.288
6137 14 . 1 1 47 47 T H H 47 9.020 8.841 0.179
6138 14 . 1 1 48 48 G N N 48 109.000 114.554 -5.554
6139 14 . 1 1 48 48 G C C 48 174.700 173.684 1.016
6140 14 . 1 1 48 48 G CA C 48 46.200 46.859 -0.659
6141 14 . 1 1 48 48 G H H 48 8.350 8.855 -0.505
6142 14 . 1 1 49 49 V N N 49 114.200 113.098 1.102
6143 14 . 1 1 49 49 V HA H 49 4.260 4.800 -0.540
6144 14 . 1 1 49 49 V CA C 49 58.200 58.014 0.186
6145 14 . 1 1 49 49 V CB C 49 32.500 34.242 -1.742
6146 14 . 1 1 49 49 V H H 49 7.760 7.093 0.667
6147 14 . 1 1 50 50 P HA H 50 4.580 4.542 0.038
6148 14 . 1 1 50 50 P C C 50 177.200 177.500 -0.300
6149 14 . 1 1 50 50 P CA C 50 61.800 63.221 -1.421
6150 14 . 1 1 50 50 P CB C 50 32.500 32.242 0.258
6151 14 . 1 1 51 51 E N N 51 123.400 123.504 -0.104
6152 14 . 1 1 51 51 E HA H 51 4.000 4.028 -0.028
6153 14 . 1 1 51 51 E C C 51 178.500 178.680 -0.180
6154 14 . 1 1 51 51 E CA C 51 59.500 59.528 -0.028
6155 14 . 1 1 51 51 E CB C 51 29.300 29.045 0.255
6156 14 . 1 1 51 51 E H H 51 8.890 8.638 0.252
6157 14 . 1 1 52 52 Q N N 52 115.200 118.400 -3.200
6158 14 . 1 1 52 52 Q HA H 52 4.100 4.061 0.039
6159 14 . 1 1 52 52 Q C C 52 177.300 177.464 -0.164
6160 14 . 1 1 52 52 Q CA C 52 58.600 58.656 -0.056
6161 14 . 1 1 52 52 Q CB C 52 27.700 27.744 -0.044
6162 14 . 1 1 52 52 Q H H 52 8.910 8.306 0.604
6163 14 . 1 1 53 53 V N N 53 114.900 120.944 -6.044
6164 14 . 1 1 53 53 V HA H 53 4.120 3.567 0.553
6165 14 . 1 1 53 53 V C C 53 176.100 177.547 -1.447
6166 14 . 1 1 53 53 V CA C 53 62.100 66.549 -4.449
6167 14 . 1 1 53 53 V CB C 53 31.900 30.828 1.072
6168 14 . 1 1 53 53 V H H 53 7.080 7.567 -0.487
6169 14 . 1 1 54 54 R N N 54 121.500 120.657 0.843
6170 14 . 1 1 54 54 R HA H 54 3.620 3.883 -0.263
6171 14 . 1 1 54 54 R C C 54 177.100 178.525 -1.425
6172 14 . 1 1 54 54 R CA C 54 60.400 59.277 1.123
6173 14 . 1 1 54 54 R CB C 54 29.700 29.983 -0.283
6174 14 . 1 1 54 54 R H H 54 7.510 7.668 -0.158
6175 14 . 1 1 55 55 K N N 55 116.800 118.511 -1.711
6176 14 . 1 1 55 55 K HA H 55 3.890 4.048 -0.158
6177 14 . 1 1 55 55 K C C 55 176.000 179.955 -3.955
6178 14 . 1 1 55 55 K CA C 55 59.600 59.669 -0.069
6179 14 . 1 1 55 55 K CB C 55 31.800 32.059 -0.259
6180 14 . 1 1 55 55 K H H 55 8.170 7.826 0.344
6181 14 . 1 1 56 56 E N N 56 120.200 120.737 -0.537
6182 14 . 1 1 56 56 E HA H 56 4.050 4.043 0.007
6183 14 . 1 1 56 56 E CA C 56 59.100 58.895 0.205
6184 14 . 1 1 56 56 E CB C 56 29.200 29.688 -0.488
6185 14 . 1 1 56 56 E H H 56 7.600 7.844 -0.244
6186 14 . 1 1 57 57 L N N 57 120.200 120.405 -0.205
6187 14 . 1 1 57 57 L HA H 57 3.970 3.924 0.046
6188 14 . 1 1 57 57 L C C 57 178.300 178.730 -0.430
6189 14 . 1 1 57 57 L CA C 57 57.700 57.881 -0.181
6190 14 . 1 1 57 57 L CB C 57 42.000 41.411 0.589
6191 14 . 1 1 57 57 L H H 57 7.980 8.165 -0.185
6192 14 . 1 1 58 58 A N N 58 120.600 121.622 -1.022
6193 14 . 1 1 58 58 A HA H 58 3.400 3.741 -0.341
6194 14 . 1 1 58 58 A C C 58 178.600 178.866 -0.266
6195 14 . 1 1 58 58 A CA C 58 55.200 55.134 0.066
6196 14 . 1 1 58 58 A CB C 58 17.600 17.748 -0.148
6197 14 . 1 1 58 58 A H H 58 7.820 8.342 -0.522
6198 14 . 1 1 59 59 K N N 59 116.600 118.478 -1.878
6199 14 . 1 1 59 59 K HA H 59 3.990 4.289 -0.299
6200 14 . 1 1 59 59 K C C 59 179.900 178.093 1.807
6201 14 . 1 1 59 59 K CA C 59 59.400 59.394 0.006
6202 14 . 1 1 59 59 K CB C 59 32.000 32.050 -0.050
6203 14 . 1 1 59 59 K H H 59 7.630 8.033 -0.403
6204 14 . 1 1 60 60 E N N 60 120.700 118.785 1.915
6205 14 . 1 1 60 60 E HA H 60 4.390 4.059 0.331
6206 14 . 1 1 60 60 E C C 60 178.100 178.350 -0.250
6207 14 . 1 1 60 60 E CA C 60 58.100 59.631 -1.531
6208 14 . 1 1 60 60 E CB C 60 28.800 29.240 -0.440
6209 14 . 1 1 60 60 E H H 60 7.950 8.449 -0.499
6210 14 . 1 1 61 61 A N N 61 122.400 121.921 0.479
6211 14 . 1 1 61 61 A HA H 61 4.160 4.395 -0.235
6212 14 . 1 1 61 61 A C C 61 179.100 179.994 -0.894
6213 14 . 1 1 61 61 A CA C 61 56.000 55.115 0.885
6214 14 . 1 1 61 61 A CB C 61 17.300 18.312 -1.012
6215 14 . 1 1 61 61 A H H 61 8.300 8.106 0.194
6216 14 . 1 1 62 62 E N N 62 115.600 117.976 -2.376
6217 14 . 1 1 62 62 E HA H 62 4.040 4.041 -0.001
6218 14 . 1 1 62 62 E C C 62 179.200 179.239 -0.039
6219 14 . 1 1 62 62 E CA C 62 59.200 59.588 -0.388
6220 14 . 1 1 62 62 E CB C 62 29.300 29.243 0.057
6221 14 . 1 1 62 62 E H H 62 8.100 8.424 -0.324
6222 14 . 1 1 63 63 R N N 63 122.800 120.452 2.348
6223 14 . 1 1 63 63 R HA H 63 4.040 4.153 -0.113
6224 14 . 1 1 63 63 R C C 63 179.100 178.951 0.149
6225 14 . 1 1 63 63 R CA C 63 59.600 58.987 0.613
6226 14 . 1 1 63 63 R CB C 63 29.800 29.933 -0.133
6227 14 . 1 1 63 63 R H H 63 8.250 7.729 0.521
6228 14 . 1 1 64 64 L N N 64 120.800 120.130 0.670
6229 14 . 1 1 64 64 L HA H 64 3.870 4.057 -0.187
6230 14 . 1 1 64 64 L C C 64 178.200 179.249 -1.049
6231 14 . 1 1 64 64 L CA C 64 57.500 58.039 -0.539
6232 14 . 1 1 64 64 L CB C 64 42.300 41.616 0.684
6233 14 . 1 1 64 64 L H H 64 8.460 8.438 0.022
6234 14 . 1 1 65 65 A N N 65 120.200 121.868 -1.668
6235 14 . 1 1 65 65 A HA H 65 4.050 4.305 -0.255
6236 14 . 1 1 65 65 A C C 65 179.500 180.149 -0.649
6237 14 . 1 1 65 65 A CA C 65 55.200 55.881 -0.681
6238 14 . 1 1 65 65 A CB C 65 17.900 18.631 -0.731
6239 14 . 1 1 65 65 A H H 65 8.190 8.654 -0.464
6240 14 . 1 1 66 66 K N N 66 116.500 118.028 -1.528
6241 14 . 1 1 66 66 K HA H 66 4.190 4.102 0.088
6242 14 . 1 1 66 66 K C C 66 178.800 179.264 -0.464
6243 14 . 1 1 66 66 K CA C 66 58.900 59.611 -0.711
6244 14 . 1 1 66 66 K CB C 66 32.300 32.234 0.066
6245 14 . 1 1 66 66 K H H 66 7.700 8.218 -0.518
6246 14 . 1 1 67 67 E N N 67 120.200 119.284 0.916
6247 14 . 1 1 67 67 E HA H 67 3.840 3.947 -0.107
6248 14 . 1 1 67 67 E C C 67 178.000 177.920 0.080
6249 14 . 1 1 67 67 E CA C 67 59.100 59.083 0.017
6250 14 . 1 1 67 67 E CB C 67 29.300 29.477 -0.177
6251 14 . 1 1 67 67 E H H 67 8.270 8.289 -0.019
6252 14 . 1 1 68 68 F N N 68 113.400 114.128 -0.728
6253 14 . 1 1 68 68 F HA H 68 4.760 4.513 0.247
6254 14 . 1 1 68 68 F C C 68 174.400 174.761 -0.361
6255 14 . 1 1 68 68 F CA C 68 56.300 58.094 -1.794
6256 14 . 1 1 68 68 F CB C 68 39.400 39.781 -0.381
6257 14 . 1 1 68 68 F H H 68 7.800 7.388 0.412
6258 14 . 1 1 69 69 N N N 69 118.200 113.774 4.426
6259 14 . 1 1 69 69 N HA H 69 4.510 4.391 0.119
6260 14 . 1 1 69 69 N CA C 69 54.200 54.559 -0.359
6261 14 . 1 1 69 69 N CB C 69 37.000 37.486 -0.486
6262 14 . 1 1 69 69 N H H 69 7.950 7.971 -0.021
6263 14 . 1 1 70 70 I N N 70 113.900 115.972 -2.072
6264 14 . 1 1 70 70 I HA H 70 4.950 4.439 0.511
6265 14 . 1 1 70 70 I CA C 70 59.800 59.620 0.180
6266 14 . 1 1 70 70 I CB C 70 40.000 39.957 0.043
6267 14 . 1 1 70 70 I H H 70 8.480 7.845 0.635
6268 14 . 1 1 71 71 T N N 71 113.600 118.621 -5.021
6269 14 . 1 1 71 71 T HA H 71 4.820 4.937 -0.117
6270 14 . 1 1 71 71 T C C 71 173.500 173.642 -0.142
6271 14 . 1 1 71 71 T CA C 71 61.500 62.135 -0.635
6272 14 . 1 1 71 71 T CB C 71 71.200 70.763 0.437
6273 14 . 1 1 71 71 T H H 71 8.520 8.488 0.032
6274 14 . 1 1 72 72 V N N 72 122.600 123.333 -0.733
6275 14 . 1 1 72 72 V HA H 72 5.330 4.811 0.519
6276 14 . 1 1 72 72 V C C 72 173.200 174.137 -0.937
6277 14 . 1 1 72 72 V CA C 72 59.200 60.217 -1.017
6278 14 . 1 1 72 72 V CB C 72 35.800 35.729 0.071
6279 14 . 1 1 72 72 V H H 72 8.720 8.679 0.041
6280 14 . 1 1 73 73 T N N 73 119.300 118.503 0.797
6281 14 . 1 1 73 73 T HA H 73 4.410 5.187 -0.777
6282 14 . 1 1 73 73 T CA C 73 60.100 59.791 0.309
6283 14 . 1 1 73 73 T CB C 73 71.800 71.650 0.150
6284 14 . 1 1 73 73 T H H 73 8.430 8.841 -0.411
6285 14 . 1 1 74 74 Y N N 74 118.100 118.753 -0.653
6286 14 . 1 1 74 74 Y HA H 74 5.530 5.669 -0.139
6287 14 . 1 1 74 74 Y CA C 74 55.900 55.624 0.276
6288 14 . 1 1 74 74 Y CB C 74 41.600 41.825 -0.225
6289 14 . 1 1 74 74 Y H H 74 8.120 8.696 -0.576
6290 14 . 1 1 75 75 T N N 75 115.000 112.998 2.002
6291 14 . 1 1 75 75 T HA H 75 4.590 5.162 -0.572
6292 14 . 1 1 75 75 T CA C 75 60.700 59.633 1.067
6293 14 . 1 1 75 75 T CB C 75 71.700 71.692 0.008
6294 14 . 1 1 75 75 T H H 75 8.810 9.171 -0.361
6295 14 . 1 1 76 76 I N N 76 124.400 124.415 -0.015
6296 14 . 1 1 76 76 I HA H 76 4.800 5.141 -0.341
6297 14 . 1 1 76 76 I C C 76 175.300 174.689 0.611
6298 14 . 1 1 76 76 I CA C 76 59.900 59.506 0.394
6299 14 . 1 1 76 76 I CB C 76 39.500 40.856 -1.356
6300 14 . 1 1 76 76 I H H 76 8.650 8.924 -0.274
6301 14 . 1 1 77 77 R N N 77 125.900 123.887 2.013
6302 14 . 1 1 77 77 R HA H 77 4.570 5.007 -0.437
6303 14 . 1 1 77 77 R CA C 77 55.100 54.592 0.508
6304 14 . 1 1 77 77 R CB C 77 32.500 33.776 -1.276
6305 14 . 1 1 77 77 R H H 77 8.680 8.774 -0.094
6306 14 . 1 1 78 78 L N N 78 124.400 124.965 -0.565
6307 14 . 1 1 78 78 L HA H 78 4.320 4.946 -0.626
6308 14 . 1 1 78 78 L C C 78 177.000 175.484 1.516
6309 14 . 1 1 78 78 L CA C 78 55.200 53.805 1.395
6310 14 . 1 1 78 78 L CB C 78 42.200 44.367 -2.167
6311 14 . 1 1 78 78 L H H 78 8.500 8.922 -0.422
6312 14 . 1 1 79 79 E N N 79 121.300 126.422 -5.122
6313 14 . 1 1 79 79 E HA H 79 4.150 4.518 -0.368
6314 14 . 1 1 79 79 E C C 79 173.700 176.051 -2.351
6315 14 . 1 1 79 79 E CA C 79 55.400 56.528 -1.128
6316 14 . 1 1 79 79 E CB C 79 30.100 29.137 0.963
6317 14 . 1 1 79 79 E H H 79 8.310 8.653 -0.343
6318 14 . 1 1 80 80 H N N 80 125.300 123.326 1.974
6319 14 . 1 1 80 80 H HA H 80 4.580 4.907 -0.327
6320 14 . 1 1 80 80 H CA C 80 57.100 56.036 1.064
6321 14 . 1 1 80 80 H CB C 80 30.300 32.852 -2.552
6322 14 . 1 1 80 80 H H H 80 8.090 8.172 -0.082
6323 15 . 1 1 2 2 E N N 2 121.100 121.786 -0.686
6324 15 . 1 1 2 2 E HA H 2 5.260 5.182 0.078
6325 15 . 1 1 2 2 E C C 2 174.300 174.477 -0.177
6326 15 . 1 1 2 2 E CA C 2 54.300 54.807 -0.507
6327 15 . 1 1 2 2 E CB C 2 32.400 33.663 -1.263
6328 15 . 1 1 2 2 E H H 2 8.720 8.616 0.104
6329 15 . 1 1 3 3 M N N 3 122.600 123.878 -1.278
6330 15 . 1 1 3 3 M HA H 3 5.120 5.083 0.037
6331 15 . 1 1 3 3 M C C 3 172.600 173.965 -1.365
6332 15 . 1 1 3 3 M CA C 3 54.600 54.452 0.148
6333 15 . 1 1 3 3 M CB C 3 37.000 35.874 1.126
6334 15 . 1 1 3 3 M H H 3 8.990 8.633 0.357
6335 15 . 1 1 4 4 D N N 4 126.300 125.959 0.341
6336 15 . 1 1 4 4 D HA H 4 5.650 5.103 0.547
6337 15 . 1 1 4 4 D C C 4 175.000 175.321 -0.321
6338 15 . 1 1 4 4 D CA C 4 52.600 53.995 -1.395
6339 15 . 1 1 4 4 D CB C 4 41.800 41.804 -0.004
6340 15 . 1 1 4 4 D H H 4 8.810 8.612 0.198
6341 15 . 1 1 5 5 I N N 5 124.600 125.417 -0.817
6342 15 . 1 1 5 5 I HA H 5 4.470 4.659 -0.189
6343 15 . 1 1 5 5 I C C 5 173.600 174.576 -0.976
6344 15 . 1 1 5 5 I CA C 5 60.500 60.463 0.037
6345 15 . 1 1 5 5 I CB C 5 41.100 39.634 1.466
6346 15 . 1 1 5 5 I H H 5 9.520 9.339 0.181
6347 15 . 1 1 6 6 R N N 6 127.500 127.470 0.030
6348 15 . 1 1 6 6 R HA H 6 5.410 5.126 0.284
6349 15 . 1 1 6 6 R C C 6 175.300 174.596 0.704
6350 15 . 1 1 6 6 R CA C 6 54.400 55.177 -0.777
6351 15 . 1 1 6 6 R CB C 6 32.500 30.417 2.083
6352 15 . 1 1 6 6 R H H 6 8.970 9.167 -0.197
6353 15 . 1 1 7 7 F N N 7 125.400 124.948 0.452
6354 15 . 1 1 7 7 F HA H 7 5.720 4.885 0.835
6355 15 . 1 1 7 7 F C C 7 174.800 174.975 -0.175
6356 15 . 1 1 7 7 F CA C 7 56.000 57.892 -1.892
6357 15 . 1 1 7 7 F CB C 7 42.300 40.833 1.467
6358 15 . 1 1 7 7 F H H 7 9.530 9.179 0.351
6359 15 . 1 1 8 8 R N N 8 121.100 122.240 -1.140
6360 15 . 1 1 8 8 R HA H 8 5.700 5.501 0.199
6361 15 . 1 1 8 8 R C C 8 175.400 175.417 -0.017
6362 15 . 1 1 8 8 R CA C 8 54.500 54.928 -0.428
6363 15 . 1 1 8 8 R CB C 8 33.800 33.417 0.383
6364 15 . 1 1 8 8 R H H 8 8.770 9.133 -0.363
6365 15 . 1 1 9 9 G N N 9 111.500 112.667 -1.167
6366 15 . 1 1 9 9 G C C 9 171.200 174.074 -2.874
6367 15 . 1 1 9 9 G CA C 9 45.200 45.234 -0.034
6368 15 . 1 1 9 9 G H H 9 8.630 8.274 0.356
6369 15 . 1 1 10 10 D N N 10 117.300 120.922 -3.622
6370 15 . 1 1 10 10 D HA H 10 4.710 4.663 0.047
6371 15 . 1 1 10 10 D C C 10 175.300 177.540 -2.240
6372 15 . 1 1 10 10 D CA C 10 53.400 54.477 -1.077
6373 15 . 1 1 10 10 D CB C 10 41.400 41.669 -0.269
6374 15 . 1 1 10 10 D H H 10 8.230 8.754 -0.524
6375 15 . 1 1 11 11 D N N 11 119.000 119.335 -0.335
6376 15 . 1 1 11 11 D HA H 11 4.690 4.433 0.257
6377 15 . 1 1 11 11 D C C 11 175.500 176.068 -0.568
6378 15 . 1 1 11 11 D CA C 11 52.600 56.419 -3.819
6379 15 . 1 1 11 11 D CB C 11 41.500 40.705 0.795
6380 15 . 1 1 11 11 D H H 11 7.400 8.210 -0.810
6381 15 . 1 1 12 12 L N N 12 125.800 118.962 6.838
6382 15 . 1 1 12 12 L HA H 12 3.850 4.416 -0.566
6383 15 . 1 1 12 12 L C C 12 179.100 177.687 1.413
6384 15 . 1 1 12 12 L CA C 12 57.800 56.053 1.747
6385 15 . 1 1 12 12 L CB C 12 41.700 44.251 -2.551
6386 15 . 1 1 12 12 L H H 12 8.520 7.564 0.956
6387 15 . 1 1 13 13 E N N 13 119.800 119.471 0.329
6388 15 . 1 1 13 13 E HA H 13 3.980 4.027 -0.047
6389 15 . 1 1 13 13 E C C 13 178.600 179.326 -0.726
6390 15 . 1 1 13 13 E CA C 13 59.300 59.341 -0.041
6391 15 . 1 1 13 13 E CB C 13 29.100 29.043 0.057
6392 15 . 1 1 13 13 E H H 13 8.140 8.539 -0.399
6393 15 . 1 1 14 14 A N N 14 122.200 122.424 -0.224
6394 15 . 1 1 14 14 A HA H 14 3.380 2.608 0.772
6395 15 . 1 1 14 14 A C C 14 179.300 179.377 -0.077
6396 15 . 1 1 14 14 A CA C 14 54.400 54.152 0.248
6397 15 . 1 1 14 14 A CB C 14 18.700 17.552 1.148
6398 15 . 1 1 14 14 A H H 14 7.460 7.738 -0.278
6399 15 . 1 1 15 15 F N N 15 115.400 119.801 -4.401
6400 15 . 1 1 15 15 F HA H 15 3.850 3.989 -0.139
6401 15 . 1 1 15 15 F C C 15 177.000 176.922 0.078
6402 15 . 1 1 15 15 F CA C 15 57.700 61.111 -3.411
6403 15 . 1 1 15 15 F CB C 15 37.500 39.245 -1.745
6404 15 . 1 1 15 15 F H H 15 7.380 7.634 -0.254
6405 15 . 1 1 16 16 E N N 16 118.800 119.134 -0.334
6406 15 . 1 1 16 16 E HA H 16 3.660 3.475 0.185
6407 15 . 1 1 16 16 E C C 16 178.700 178.955 -0.255
6408 15 . 1 1 16 16 E CA C 16 59.800 59.620 0.180
6409 15 . 1 1 16 16 E CB C 16 29.100 29.019 0.081
6410 15 . 1 1 16 16 E H H 16 7.990 8.356 -0.366
6411 15 . 1 1 17 17 K N N 17 118.200 118.642 -0.442
6412 15 . 1 1 17 17 K HA H 17 3.780 3.971 -0.191
6413 15 . 1 1 17 17 K C C 17 179.000 178.967 0.033
6414 15 . 1 1 17 17 K CA C 17 59.600 59.182 0.418
6415 15 . 1 1 17 17 K CB C 17 32.400 32.378 0.022
6416 15 . 1 1 17 17 K H H 17 7.550 8.074 -0.524
6417 15 . 1 1 18 18 A N N 18 122.400 122.106 0.294
6418 15 . 1 1 18 18 A HA H 18 3.890 3.859 0.031
6419 15 . 1 1 18 18 A C C 18 178.900 180.054 -1.154
6420 15 . 1 1 18 18 A CA C 18 54.800 54.725 0.075
6421 15 . 1 1 18 18 A CB C 18 17.100 17.557 -0.457
6422 15 . 1 1 18 18 A H H 18 8.060 7.306 0.754
6423 15 . 1 1 19 19 L N N 19 118.700 119.353 -0.653
6424 15 . 1 1 19 19 L HA H 19 3.690 3.863 -0.173
6425 15 . 1 1 19 19 L C C 19 177.700 178.144 -0.444
6426 15 . 1 1 19 19 L CA C 19 57.900 57.544 0.356
6427 15 . 1 1 19 19 L CB C 19 41.700 41.166 0.534
6428 15 . 1 1 19 19 L H H 19 8.280 7.515 0.765
6429 15 . 1 1 20 20 K N N 20 116.600 118.711 -2.111
6430 15 . 1 1 20 20 K HA H 20 3.780 3.757 0.023
6431 15 . 1 1 20 20 K C C 20 179.700 178.935 0.765
6432 15 . 1 1 20 20 K CA C 20 60.000 59.709 0.291
6433 15 . 1 1 20 20 K CB C 20 32.400 32.452 -0.052
6434 15 . 1 1 20 20 K H H 20 7.760 8.041 -0.281
6435 15 . 1 1 21 21 E N N 21 118.700 118.065 0.635
6436 15 . 1 1 21 21 E HA H 21 4.300 4.002 0.298
6437 15 . 1 1 21 21 E C C 21 178.500 179.741 -1.241
6438 15 . 1 1 21 21 E CA C 21 58.400 59.473 -1.073
6439 15 . 1 1 21 21 E CB C 21 29.100 29.531 -0.431
6440 15 . 1 1 21 21 E H H 21 7.750 8.069 -0.319
6441 15 . 1 1 22 22 M N N 22 119.100 119.118 -0.018
6442 15 . 1 1 22 22 M HA H 22 4.390 4.187 0.203
6443 15 . 1 1 22 22 M C C 22 178.800 178.704 0.096
6444 15 . 1 1 22 22 M CA C 22 57.300 58.697 -1.397
6445 15 . 1 1 22 22 M CB C 22 31.200 33.033 -1.833
6446 15 . 1 1 22 22 M H H 22 8.300 8.133 0.167
6447 15 . 1 1 23 23 I N N 23 120.200 119.364 0.836
6448 15 . 1 1 23 23 I HA H 23 3.550 3.611 -0.061
6449 15 . 1 1 23 23 I C C 23 177.600 177.967 -0.367
6450 15 . 1 1 23 23 I CA C 23 66.100 65.114 0.986
6451 15 . 1 1 23 23 I CB C 23 37.700 37.724 -0.024
6452 15 . 1 1 23 23 I H H 23 8.460 8.175 0.285
6453 15 . 1 1 24 24 R N N 24 120.200 120.798 -0.598
6454 15 . 1 1 24 24 R HA H 24 3.890 3.823 0.067
6455 15 . 1 1 24 24 R C C 24 179.400 178.739 0.661
6456 15 . 1 1 24 24 R CA C 24 59.900 59.877 0.023
6457 15 . 1 1 24 24 R CB C 24 30.200 29.791 0.409
6458 15 . 1 1 24 24 R H H 24 7.720 8.095 -0.375
6459 15 . 1 1 25 25 Q N N 25 117.100 118.161 -1.061
6460 15 . 1 1 25 25 Q HA H 25 3.930 4.039 -0.109
6461 15 . 1 1 25 25 Q C C 25 177.600 178.596 -0.996
6462 15 . 1 1 25 25 Q CA C 25 58.000 58.689 -0.689
6463 15 . 1 1 25 25 Q CB C 25 27.800 28.489 -0.689
6464 15 . 1 1 25 25 Q H H 25 8.190 7.955 0.235
6465 15 . 1 1 26 26 A N N 26 120.300 122.655 -2.355
6466 15 . 1 1 26 26 A HA H 26 3.690 4.191 -0.501
6467 15 . 1 1 26 26 A C C 26 179.400 179.795 -0.395
6468 15 . 1 1 26 26 A CA C 26 54.200 55.201 -1.001
6469 15 . 1 1 26 26 A CB C 26 18.300 18.444 -0.144
6470 15 . 1 1 26 26 A H H 26 8.240 8.383 -0.143
6471 15 . 1 1 27 27 R N N 27 117.500 117.690 -0.190
6472 15 . 1 1 27 27 R HA H 27 4.070 4.061 0.009
6473 15 . 1 1 27 27 R C C 27 178.900 178.812 0.088
6474 15 . 1 1 27 27 R CA C 27 58.500 59.426 -0.926
6475 15 . 1 1 27 27 R CB C 27 29.700 29.882 -0.182
6476 15 . 1 1 27 27 R H H 27 8.080 8.222 -0.142
6477 15 . 1 1 28 28 K N N 28 119.100 120.403 -1.303
6478 15 . 1 1 28 28 K HA H 28 4.000 3.911 0.089
6479 15 . 1 1 28 28 K C C 28 176.900 177.872 -0.972
6480 15 . 1 1 28 28 K CA C 28 58.600 58.864 -0.264
6481 15 . 1 1 28 28 K CB C 28 32.100 32.069 0.031
6482 15 . 1 1 28 28 K H H 28 7.520 7.501 0.019
6483 15 . 1 1 29 29 F N N 29 114.500 116.351 -1.851
6484 15 . 1 1 29 29 F HA H 29 4.930 4.583 0.347
6485 15 . 1 1 29 29 F C C 29 173.600 174.712 -1.112
6486 15 . 1 1 29 29 F CA C 29 55.800 57.510 -1.710
6487 15 . 1 1 29 29 F CB C 29 39.000 39.407 -0.407
6488 15 . 1 1 29 29 F H H 29 7.010 7.668 -0.658
6489 15 . 1 1 30 30 A N N 30 121.600 120.792 0.808
6490 15 . 1 1 30 30 A HA H 30 4.130 3.973 0.157
6491 15 . 1 1 30 30 A C C 30 176.700 176.721 -0.021
6492 15 . 1 1 30 30 A CA C 30 52.900 53.334 -0.434
6493 15 . 1 1 30 30 A CB C 30 17.000 17.098 -0.098
6494 15 . 1 1 30 30 A H H 30 7.830 7.858 -0.028
6495 15 . 1 1 31 31 G N N 31 105.400 105.478 -0.078
6496 15 . 1 1 31 31 G C C 31 173.100 173.103 -0.003
6497 15 . 1 1 31 31 G CA C 31 45.100 44.455 0.645
6498 15 . 1 1 31 31 G H H 31 7.950 8.091 -0.141
6499 15 . 1 1 32 32 T N N 32 115.700 114.810 0.890
6500 15 . 1 1 32 32 T HA H 32 4.580 4.908 -0.328
6501 15 . 1 1 32 32 T C C 32 173.100 173.892 -0.792
6502 15 . 1 1 32 32 T CA C 32 61.900 62.593 -0.693
6503 15 . 1 1 32 32 T CB C 32 70.500 69.911 0.589
6504 15 . 1 1 32 32 T H H 32 8.220 8.758 -0.538
6505 15 . 1 1 33 33 V N N 33 125.300 127.147 -1.847
6506 15 . 1 1 33 33 V HA H 33 5.150 4.903 0.247
6507 15 . 1 1 33 33 V C C 33 175.300 174.386 0.914
6508 15 . 1 1 33 33 V CA C 33 60.800 60.769 0.031
6509 15 . 1 1 33 33 V CB C 33 34.300 34.290 0.010
6510 15 . 1 1 33 33 V H H 33 8.610 8.886 -0.276
6511 15 . 1 1 34 34 T N N 34 120.200 121.741 -1.541
6512 15 . 1 1 34 34 T HA H 34 4.670 5.238 -0.568
6513 15 . 1 1 34 34 T CA C 34 60.200 59.622 0.578
6514 15 . 1 1 34 34 T CB C 34 71.600 71.750 -0.150
6515 15 . 1 1 34 34 T H H 34 8.890 8.694 0.196
6516 15 . 1 1 35 35 Y N N 35 118.100 122.025 -3.925
6517 15 . 1 1 35 35 Y HA H 35 5.720 6.014 -0.294
6518 15 . 1 1 35 35 Y C C 35 174.400 173.116 1.284
6519 15 . 1 1 35 35 Y CA C 35 56.200 55.729 0.471
6520 15 . 1 1 35 35 Y CB C 35 41.800 42.155 -0.355
6521 15 . 1 1 35 35 Y H H 35 8.360 8.801 -0.441
6522 15 . 1 1 36 36 T N N 36 115.200 113.612 1.588
6523 15 . 1 1 36 36 T HA H 36 4.400 5.263 -0.863
6524 15 . 1 1 36 36 T CA C 36 60.200 59.830 0.370
6525 15 . 1 1 36 36 T CB C 36 71.800 71.391 0.409
6526 15 . 1 1 36 36 T H H 36 9.020 9.141 -0.121
6527 15 . 1 1 37 37 L N N 37 129.300 125.241 4.059
6528 15 . 1 1 37 37 L HA H 37 5.020 5.488 -0.468
6529 15 . 1 1 37 37 L C C 37 174.900 175.318 -0.418
6530 15 . 1 1 37 37 L CA C 37 54.400 53.165 1.235
6531 15 . 1 1 37 37 L CB C 37 43.800 43.679 0.121
6532 15 . 1 1 37 37 L H H 37 8.850 9.009 -0.159
6533 15 . 1 1 38 38 D N N 38 127.200 124.437 2.763
6534 15 . 1 1 38 38 D HA H 38 4.850 4.848 0.002
6535 15 . 1 1 38 38 D CA C 38 53.000 52.654 0.346
6536 15 . 1 1 38 38 D CB C 38 42.300 41.681 0.619
6537 15 . 1 1 38 38 D H H 38 8.740 8.835 -0.095
6538 15 . 1 1 39 39 G N N 39 114.000 115.831 -1.831
6539 15 . 1 1 39 39 G C C 39 174.000 174.721 -0.721
6540 15 . 1 1 39 39 G CA C 39 47.400 47.288 0.112
6541 15 . 1 1 39 39 G H H 39 8.700 8.941 -0.241
6542 15 . 1 1 40 40 N N N 40 124.400 124.473 -0.073
6543 15 . 1 1 40 40 N HA H 40 5.070 4.793 0.277
6544 15 . 1 1 40 40 N C C 40 173.100 174.227 -1.127
6545 15 . 1 1 40 40 N CA C 40 53.200 52.972 0.228
6546 15 . 1 1 40 40 N CB C 40 39.300 38.994 0.306
6547 15 . 1 1 40 40 N H H 40 8.740 8.734 0.006
6548 15 . 1 1 41 41 D N N 41 118.500 119.603 -1.103
6549 15 . 1 1 41 41 D HA H 41 5.410 4.949 0.461
6550 15 . 1 1 41 41 D C C 41 173.600 175.582 -1.982
6551 15 . 1 1 41 41 D CA C 41 53.700 53.722 -0.022
6552 15 . 1 1 41 41 D CB C 41 43.800 42.496 1.304
6553 15 . 1 1 41 41 D H H 41 7.980 7.914 0.066
6554 15 . 1 1 42 42 L N N 42 125.100 126.387 -1.287
6555 15 . 1 1 42 42 L HA H 42 4.960 5.366 -0.406
6556 15 . 1 1 42 42 L C C 42 173.600 174.607 -1.007
6557 15 . 1 1 42 42 L CA C 42 53.400 54.110 -0.710
6558 15 . 1 1 42 42 L CB C 42 43.700 44.737 -1.037
6559 15 . 1 1 42 42 L H H 42 8.520 9.296 -0.776
6560 15 . 1 1 43 43 E N N 43 127.800 127.629 0.171
6561 15 . 1 1 43 43 E HA H 43 5.280 4.833 0.447
6562 15 . 1 1 43 43 E C C 43 174.900 175.414 -0.514
6563 15 . 1 1 43 43 E CA C 43 54.500 55.461 -0.961
6564 15 . 1 1 43 43 E CB C 43 32.000 31.051 0.949
6565 15 . 1 1 43 43 E H H 43 8.990 8.982 0.008
6566 15 . 1 1 44 44 I N N 44 126.300 129.237 -2.937
6567 15 . 1 1 44 44 I HA H 44 4.760 4.979 -0.219
6568 15 . 1 1 44 44 I C C 44 173.800 174.309 -0.509
6569 15 . 1 1 44 44 I CA C 44 60.000 60.557 -0.557
6570 15 . 1 1 44 44 I CB C 44 41.200 38.363 2.837
6571 15 . 1 1 44 44 I H H 44 9.590 9.545 0.045
6572 15 . 1 1 45 45 R N N 45 127.800 128.622 -0.822
6573 15 . 1 1 45 45 R HA H 45 5.250 5.107 0.143
6574 15 . 1 1 45 45 R C C 45 175.300 174.899 0.401
6575 15 . 1 1 45 45 R CA C 45 55.000 55.671 -0.671
6576 15 . 1 1 45 45 R CB C 45 31.700 31.286 0.414
6577 15 . 1 1 45 45 R H H 45 9.130 9.265 -0.135
6578 15 . 1 1 46 46 I N N 46 125.800 129.802 -4.002
6579 15 . 1 1 46 46 I HA H 46 5.150 5.064 0.086
6580 15 . 1 1 46 46 I C C 46 175.600 174.872 0.728
6581 15 . 1 1 46 46 I CA C 46 60.100 60.121 -0.021
6582 15 . 1 1 46 46 I CB C 46 39.900 38.558 1.342
6583 15 . 1 1 46 46 I H H 46 9.180 9.356 -0.176
6584 15 . 1 1 47 47 T N N 47 118.800 122.371 -3.571
6585 15 . 1 1 47 47 T HA H 47 5.010 4.750 0.260
6586 15 . 1 1 47 47 T C C 47 174.300 175.524 -1.224
6587 15 . 1 1 47 47 T CA C 47 60.100 61.300 -1.200
6588 15 . 1 1 47 47 T CB C 47 70.900 70.115 0.785
6589 15 . 1 1 47 47 T H H 47 9.020 8.959 0.061
6590 15 . 1 1 48 48 G N N 48 109.000 114.602 -5.602
6591 15 . 1 1 48 48 G C C 48 174.700 174.690 0.010
6592 15 . 1 1 48 48 G CA C 48 46.200 45.076 1.124
6593 15 . 1 1 48 48 G H H 48 8.350 8.997 -0.647
6594 15 . 1 1 49 49 V N N 49 114.200 119.630 -5.430
6595 15 . 1 1 49 49 V HA H 49 4.260 3.938 0.322
6596 15 . 1 1 49 49 V CA C 49 58.200 60.617 -2.417
6597 15 . 1 1 49 49 V CB C 49 32.500 30.967 1.533
6598 15 . 1 1 49 49 V H H 49 7.760 7.689 0.071
6599 15 . 1 1 50 50 P HA H 50 4.580 4.589 -0.009
6600 15 . 1 1 50 50 P C C 50 177.200 176.645 0.555
6601 15 . 1 1 50 50 P CA C 50 61.800 62.206 -0.406
6602 15 . 1 1 50 50 P CB C 50 32.500 32.867 -0.367
6603 15 . 1 1 51 51 E N N 51 123.400 120.612 2.788
6604 15 . 1 1 51 51 E HA H 51 4.000 4.346 -0.346
6605 15 . 1 1 51 51 E C C 51 178.500 178.645 -0.145
6606 15 . 1 1 51 51 E CA C 51 59.500 59.051 0.449
6607 15 . 1 1 51 51 E CB C 51 29.300 29.598 -0.298
6608 15 . 1 1 51 51 E H H 51 8.890 8.545 0.345
6609 15 . 1 1 52 52 Q N N 52 115.200 117.731 -2.531
6610 15 . 1 1 52 52 Q HA H 52 4.100 4.071 0.029
6611 15 . 1 1 52 52 Q C C 52 177.300 177.408 -0.108
6612 15 . 1 1 52 52 Q CA C 52 58.600 58.590 0.010
6613 15 . 1 1 52 52 Q CB C 52 27.700 28.375 -0.675
6614 15 . 1 1 52 52 Q H H 52 8.910 8.195 0.715
6615 15 . 1 1 53 53 V N N 53 114.900 121.142 -6.242
6616 15 . 1 1 53 53 V HA H 53 4.120 3.941 0.179
6617 15 . 1 1 53 53 V C C 53 176.100 177.577 -1.477
6618 15 . 1 1 53 53 V CA C 53 62.100 65.163 -3.063
6619 15 . 1 1 53 53 V CB C 53 31.900 31.335 0.565
6620 15 . 1 1 53 53 V H H 53 7.080 7.826 -0.746
6621 15 . 1 1 54 54 R N N 54 121.500 123.227 -1.727
6622 15 . 1 1 54 54 R HA H 54 3.620 3.903 -0.283
6623 15 . 1 1 54 54 R C C 54 177.100 178.630 -1.530
6624 15 . 1 1 54 54 R CA C 54 60.400 59.314 1.086
6625 15 . 1 1 54 54 R CB C 54 29.700 29.986 -0.286
6626 15 . 1 1 54 54 R H H 54 7.510 7.917 -0.407
6627 15 . 1 1 55 55 K N N 55 116.800 118.413 -1.613
6628 15 . 1 1 55 55 K HA H 55 3.890 4.038 -0.148
6629 15 . 1 1 55 55 K C C 55 176.000 179.413 -3.413
6630 15 . 1 1 55 55 K CA C 55 59.600 59.831 -0.231
6631 15 . 1 1 55 55 K CB C 55 31.800 32.261 -0.461
6632 15 . 1 1 55 55 K H H 55 8.170 8.153 0.017
6633 15 . 1 1 56 56 E N N 56 120.200 119.107 1.093
6634 15 . 1 1 56 56 E HA H 56 4.050 4.100 -0.050
6635 15 . 1 1 56 56 E CA C 56 59.100 59.313 -0.213
6636 15 . 1 1 56 56 E CB C 56 29.200 29.145 0.055
6637 15 . 1 1 56 56 E H H 56 7.600 7.738 -0.138
6638 15 . 1 1 57 57 L N N 57 120.200 121.006 -0.806
6639 15 . 1 1 57 57 L HA H 57 3.970 3.947 0.023
6640 15 . 1 1 57 57 L C C 57 178.300 178.838 -0.538
6641 15 . 1 1 57 57 L CA C 57 57.700 57.908 -0.208
6642 15 . 1 1 57 57 L CB C 57 42.000 41.412 0.588
6643 15 . 1 1 57 57 L H H 57 7.980 8.150 -0.170
6644 15 . 1 1 58 58 A N N 58 120.600 121.788 -1.188
6645 15 . 1 1 58 58 A HA H 58 3.400 3.655 -0.255
6646 15 . 1 1 58 58 A C C 58 178.600 178.990 -0.390
6647 15 . 1 1 58 58 A CA C 58 55.200 55.011 0.189
6648 15 . 1 1 58 58 A CB C 58 17.600 17.878 -0.278
6649 15 . 1 1 58 58 A H H 58 7.820 8.261 -0.441
6650 15 . 1 1 59 59 K N N 59 116.600 118.745 -2.145
6651 15 . 1 1 59 59 K HA H 59 3.990 3.838 0.152
6652 15 . 1 1 59 59 K C C 59 179.900 178.063 1.837
6653 15 . 1 1 59 59 K CA C 59 59.400 60.036 -0.636
6654 15 . 1 1 59 59 K CB C 59 32.000 32.383 -0.383
6655 15 . 1 1 59 59 K H H 59 7.630 7.813 -0.183
6656 15 . 1 1 60 60 E N N 60 120.700 119.016 1.684
6657 15 . 1 1 60 60 E HA H 60 4.390 4.087 0.303
6658 15 . 1 1 60 60 E C C 60 178.100 178.481 -0.381
6659 15 . 1 1 60 60 E CA C 60 58.100 59.602 -1.502
6660 15 . 1 1 60 60 E CB C 60 28.800 29.336 -0.536
6661 15 . 1 1 60 60 E H H 60 7.950 8.555 -0.605
6662 15 . 1 1 61 61 A N N 61 122.400 122.339 0.061
6663 15 . 1 1 61 61 A HA H 61 4.160 4.365 -0.205
6664 15 . 1 1 61 61 A C C 61 179.100 180.224 -1.124
6665 15 . 1 1 61 61 A CA C 61 56.000 54.953 1.047
6666 15 . 1 1 61 61 A CB C 61 17.300 18.190 -0.890
6667 15 . 1 1 61 61 A H H 61 8.300 7.863 0.437
6668 15 . 1 1 62 62 E N N 62 115.600 117.889 -2.289
6669 15 . 1 1 62 62 E HA H 62 4.040 4.059 -0.019
6670 15 . 1 1 62 62 E C C 62 179.200 178.958 0.242
6671 15 . 1 1 62 62 E CA C 62 59.200 59.654 -0.454
6672 15 . 1 1 62 62 E CB C 62 29.300 29.552 -0.252
6673 15 . 1 1 62 62 E H H 62 8.100 8.192 -0.092
6674 15 . 1 1 63 63 R N N 63 122.800 120.733 2.067
6675 15 . 1 1 63 63 R HA H 63 4.040 4.071 -0.031
6676 15 . 1 1 63 63 R C C 63 179.100 178.853 0.247
6677 15 . 1 1 63 63 R CA C 63 59.600 58.897 0.703
6678 15 . 1 1 63 63 R CB C 63 29.800 29.838 -0.038
6679 15 . 1 1 63 63 R H H 63 8.250 7.767 0.483
6680 15 . 1 1 64 64 L N N 64 120.800 120.068 0.732
6681 15 . 1 1 64 64 L HA H 64 3.870 4.037 -0.167
6682 15 . 1 1 64 64 L C C 64 178.200 179.341 -1.141
6683 15 . 1 1 64 64 L CA C 64 57.500 58.021 -0.521
6684 15 . 1 1 64 64 L CB C 64 42.300 41.636 0.664
6685 15 . 1 1 64 64 L H H 64 8.460 8.218 0.242
6686 15 . 1 1 65 65 A N N 65 120.200 121.601 -1.401
6687 15 . 1 1 65 65 A HA H 65 4.050 4.248 -0.198
6688 15 . 1 1 65 65 A C C 65 179.500 179.561 -0.061
6689 15 . 1 1 65 65 A CA C 65 55.200 55.750 -0.550
6690 15 . 1 1 65 65 A CB C 65 17.900 18.787 -0.887
6691 15 . 1 1 65 65 A H H 65 8.190 8.574 -0.384
6692 15 . 1 1 66 66 K N N 66 116.500 117.633 -1.133
6693 15 . 1 1 66 66 K HA H 66 4.190 4.138 0.052
6694 15 . 1 1 66 66 K C C 66 178.800 179.438 -0.638
6695 15 . 1 1 66 66 K CA C 66 58.900 59.247 -0.347
6696 15 . 1 1 66 66 K CB C 66 32.300 32.110 0.190
6697 15 . 1 1 66 66 K H H 66 7.700 7.962 -0.262
6698 15 . 1 1 67 67 E N N 67 120.200 120.761 -0.561
6699 15 . 1 1 67 67 E HA H 67 3.840 3.951 -0.111
6700 15 . 1 1 67 67 E C C 67 178.000 177.787 0.213
6701 15 . 1 1 67 67 E CA C 67 59.100 59.211 -0.111
6702 15 . 1 1 67 67 E CB C 67 29.300 29.302 -0.002
6703 15 . 1 1 67 67 E H H 67 8.270 8.386 -0.116
6704 15 . 1 1 68 68 F N N 68 113.400 116.122 -2.722
6705 15 . 1 1 68 68 F HA H 68 4.760 4.542 0.218
6706 15 . 1 1 68 68 F C C 68 174.400 174.941 -0.541
6707 15 . 1 1 68 68 F CA C 68 56.300 57.711 -1.411
6708 15 . 1 1 68 68 F CB C 68 39.400 39.636 -0.236
6709 15 . 1 1 68 68 F H H 68 7.800 7.411 0.389
6710 15 . 1 1 69 69 N N N 69 118.200 118.466 -0.266
6711 15 . 1 1 69 69 N HA H 69 4.510 4.454 0.056
6712 15 . 1 1 69 69 N CA C 69 54.200 53.963 0.237
6713 15 . 1 1 69 69 N CB C 69 37.000 37.035 -0.035
6714 15 . 1 1 69 69 N H H 69 7.950 7.916 0.034
6715 15 . 1 1 70 70 I N N 70 113.900 114.009 -0.109
6716 15 . 1 1 70 70 I HA H 70 4.950 4.935 0.015
6717 15 . 1 1 70 70 I CA C 70 59.800 58.825 0.975
6718 15 . 1 1 70 70 I CB C 70 40.000 41.793 -1.793
6719 15 . 1 1 70 70 I H H 70 8.480 7.974 0.506
6720 15 . 1 1 71 71 T N N 71 113.600 117.712 -4.112
6721 15 . 1 1 71 71 T HA H 71 4.820 5.019 -0.199
6722 15 . 1 1 71 71 T C C 71 173.500 173.854 -0.354
6723 15 . 1 1 71 71 T CA C 71 61.500 62.061 -0.561
6724 15 . 1 1 71 71 T CB C 71 71.200 70.790 0.410
6725 15 . 1 1 71 71 T H H 71 8.520 8.639 -0.119
6726 15 . 1 1 72 72 V N N 72 122.600 124.680 -2.080
6727 15 . 1 1 72 72 V HA H 72 5.330 5.141 0.189
6728 15 . 1 1 72 72 V C C 72 173.200 173.932 -0.732
6729 15 . 1 1 72 72 V CA C 72 59.200 60.438 -1.238
6730 15 . 1 1 72 72 V CB C 72 35.800 35.098 0.702
6731 15 . 1 1 72 72 V H H 72 8.720 8.690 0.030
6732 15 . 1 1 73 73 T N N 73 119.300 120.961 -1.661
6733 15 . 1 1 73 73 T HA H 73 4.410 5.200 -0.790
6734 15 . 1 1 73 73 T CA C 73 60.100 60.135 -0.035
6735 15 . 1 1 73 73 T CB C 73 71.800 71.278 0.522
6736 15 . 1 1 73 73 T H H 73 8.430 8.880 -0.450
6737 15 . 1 1 74 74 Y N N 74 118.100 119.167 -1.067
6738 15 . 1 1 74 74 Y HA H 74 5.530 6.228 -0.698
6739 15 . 1 1 74 74 Y CA C 74 55.900 55.040 0.860
6740 15 . 1 1 74 74 Y CB C 74 41.600 41.845 -0.245
6741 15 . 1 1 74 74 Y H H 74 8.120 8.427 -0.307
6742 15 . 1 1 75 75 T N N 75 115.000 117.481 -2.481
6743 15 . 1 1 75 75 T HA H 75 4.590 4.874 -0.284
6744 15 . 1 1 75 75 T CA C 75 60.700 61.875 -1.175
6745 15 . 1 1 75 75 T CB C 75 71.700 69.988 1.712
6746 15 . 1 1 75 75 T H H 75 8.810 9.193 -0.383
6747 15 . 1 1 76 76 I N N 76 124.400 129.040 -4.640
6748 15 . 1 1 76 76 I HA H 76 4.800 4.656 0.144
6749 15 . 1 1 76 76 I C C 76 175.300 175.124 0.176
6750 15 . 1 1 76 76 I CA C 76 59.900 60.199 -0.299
6751 15 . 1 1 76 76 I CB C 76 39.500 38.785 0.715
6752 15 . 1 1 76 76 I H H 76 8.650 9.355 -0.705
6753 15 . 1 1 77 77 R N N 77 125.900 128.099 -2.199
6754 15 . 1 1 77 77 R HA H 77 4.570 4.724 -0.154
6755 15 . 1 1 77 77 R CA C 77 55.100 55.129 -0.029
6756 15 . 1 1 77 77 R CB C 77 32.500 31.072 1.428
6757 15 . 1 1 77 77 R H H 77 8.680 9.040 -0.360
6758 15 . 1 1 78 78 L N N 78 124.400 122.367 2.033
6759 15 . 1 1 78 78 L HA H 78 4.320 4.804 -0.484
6760 15 . 1 1 78 78 L C C 78 177.000 176.111 0.889
6761 15 . 1 1 78 78 L CA C 78 55.200 53.236 1.964
6762 15 . 1 1 78 78 L CB C 78 42.200 43.274 -1.074
6763 15 . 1 1 78 78 L H H 78 8.500 8.505 -0.005
6764 15 . 1 1 79 79 E N N 79 121.300 123.260 -1.960
6765 15 . 1 1 79 79 E HA H 79 4.150 4.228 -0.078
6766 15 . 1 1 79 79 E C C 79 173.700 176.250 -2.550
6767 15 . 1 1 79 79 E CA C 79 55.400 56.570 -1.170
6768 15 . 1 1 79 79 E CB C 79 30.100 30.007 0.093
6769 15 . 1 1 79 79 E H H 79 8.310 8.430 -0.120
6770 15 . 1 1 80 80 H N N 80 125.300 125.729 -0.429
6771 15 . 1 1 80 80 H HA H 80 4.580 4.695 -0.115
6772 15 . 1 1 80 80 H CA C 80 57.100 56.705 0.395
6773 15 . 1 1 80 80 H CB C 80 30.300 29.994 0.306
6774 15 . 1 1 80 80 H H H 80 8.090 8.509 -0.419
6775 16 . 1 1 2 2 E N N 2 121.100 125.367 -4.267
6776 16 . 1 1 2 2 E HA H 2 5.260 5.263 -0.003
6777 16 . 1 1 2 2 E C C 2 174.300 175.007 -0.707
6778 16 . 1 1 2 2 E CA C 2 54.300 54.741 -0.441
6779 16 . 1 1 2 2 E CB C 2 32.400 33.551 -1.151
6780 16 . 1 1 2 2 E H H 2 8.720 8.577 0.143
6781 16 . 1 1 3 3 M N N 3 122.600 123.791 -1.191
6782 16 . 1 1 3 3 M HA H 3 5.120 4.936 0.184
6783 16 . 1 1 3 3 M C C 3 172.600 174.084 -1.484
6784 16 . 1 1 3 3 M CA C 3 54.600 54.217 0.383
6785 16 . 1 1 3 3 M CB C 3 37.000 34.504 2.496
6786 16 . 1 1 3 3 M H H 3 8.990 9.054 -0.064
6787 16 . 1 1 4 4 D N N 4 126.300 126.408 -0.108
6788 16 . 1 1 4 4 D HA H 4 5.650 5.139 0.511
6789 16 . 1 1 4 4 D C C 4 175.000 174.995 0.005
6790 16 . 1 1 4 4 D CA C 4 52.600 53.680 -1.080
6791 16 . 1 1 4 4 D CB C 4 41.800 41.645 0.155
6792 16 . 1 1 4 4 D H H 4 8.810 9.401 -0.591
6793 16 . 1 1 5 5 I N N 5 124.600 126.270 -1.670
6794 16 . 1 1 5 5 I HA H 5 4.470 4.508 -0.038
6795 16 . 1 1 5 5 I C C 5 173.600 174.235 -0.635
6796 16 . 1 1 5 5 I CA C 5 60.500 60.510 -0.010
6797 16 . 1 1 5 5 I CB C 5 41.100 37.980 3.120
6798 16 . 1 1 5 5 I H H 5 9.520 9.260 0.260
6799 16 . 1 1 6 6 R N N 6 127.500 129.292 -1.792
6800 16 . 1 1 6 6 R HA H 6 5.410 5.503 -0.093
6801 16 . 1 1 6 6 R C C 6 175.300 174.573 0.727
6802 16 . 1 1 6 6 R CA C 6 54.400 54.270 0.130
6803 16 . 1 1 6 6 R CB C 6 32.500 33.021 -0.521
6804 16 . 1 1 6 6 R H H 6 8.970 9.073 -0.103
6805 16 . 1 1 7 7 F N N 7 125.400 126.604 -1.204
6806 16 . 1 1 7 7 F HA H 7 5.720 4.980 0.740
6807 16 . 1 1 7 7 F C C 7 174.800 174.933 -0.133
6808 16 . 1 1 7 7 F CA C 7 56.000 57.086 -1.086
6809 16 . 1 1 7 7 F CB C 7 42.300 41.346 0.954
6810 16 . 1 1 7 7 F H H 7 9.530 9.047 0.483
6811 16 . 1 1 8 8 R N N 8 121.100 122.395 -1.295
6812 16 . 1 1 8 8 R HA H 8 5.700 5.236 0.464
6813 16 . 1 1 8 8 R C C 8 175.400 175.183 0.217
6814 16 . 1 1 8 8 R CA C 8 54.500 55.013 -0.513
6815 16 . 1 1 8 8 R CB C 8 33.800 33.737 0.063
6816 16 . 1 1 8 8 R H H 8 8.770 9.328 -0.558
6817 16 . 1 1 9 9 G N N 9 111.500 112.915 -1.415
6818 16 . 1 1 9 9 G C C 9 171.200 171.021 0.179
6819 16 . 1 1 9 9 G CA C 9 45.200 45.877 -0.677
6820 16 . 1 1 9 9 G H H 9 8.630 8.446 0.184
6821 16 . 1 1 10 10 D N N 10 117.300 120.553 -3.253
6822 16 . 1 1 10 10 D HA H 10 4.710 5.297 -0.587
6823 16 . 1 1 10 10 D C C 10 175.300 174.168 1.132
6824 16 . 1 1 10 10 D CA C 10 53.400 52.869 0.531
6825 16 . 1 1 10 10 D CB C 10 41.400 42.170 -0.770
6826 16 . 1 1 10 10 D H H 10 8.230 8.594 -0.364
6827 16 . 1 1 11 11 D N N 11 119.000 124.897 -5.897
6828 16 . 1 1 11 11 D HA H 11 4.690 5.026 -0.336
6829 16 . 1 1 11 11 D C C 11 175.500 175.876 -0.376
6830 16 . 1 1 11 11 D CA C 11 52.600 54.025 -1.425
6831 16 . 1 1 11 11 D CB C 11 41.500 44.693 -3.193
6832 16 . 1 1 11 11 D H H 11 7.400 8.484 -1.084
6833 16 . 1 1 12 12 L N N 12 125.800 127.277 -1.477
6834 16 . 1 1 12 12 L HA H 12 3.850 4.186 -0.336
6835 16 . 1 1 12 12 L C C 12 179.100 178.572 0.528
6836 16 . 1 1 12 12 L CA C 12 57.800 58.114 -0.314
6837 16 . 1 1 12 12 L CB C 12 41.700 41.427 0.273
6838 16 . 1 1 12 12 L H H 12 8.520 8.640 -0.120
6839 16 . 1 1 13 13 E N N 13 119.800 118.534 1.266
6840 16 . 1 1 13 13 E HA H 13 3.980 4.067 -0.087
6841 16 . 1 1 13 13 E C C 13 178.600 179.216 -0.616
6842 16 . 1 1 13 13 E CA C 13 59.300 59.429 -0.129
6843 16 . 1 1 13 13 E CB C 13 29.100 28.216 0.884
6844 16 . 1 1 13 13 E H H 13 8.140 8.008 0.132
6845 16 . 1 1 14 14 A N N 14 122.200 122.591 -0.391
6846 16 . 1 1 14 14 A HA H 14 3.380 2.166 1.214
6847 16 . 1 1 14 14 A C C 14 179.300 179.527 -0.227
6848 16 . 1 1 14 14 A CA C 14 54.400 54.054 0.346
6849 16 . 1 1 14 14 A CB C 14 18.700 17.949 0.751
6850 16 . 1 1 14 14 A H H 14 7.460 7.724 -0.264
6851 16 . 1 1 15 15 F N N 15 115.400 115.615 -0.215
6852 16 . 1 1 15 15 F HA H 15 3.850 4.066 -0.216
6853 16 . 1 1 15 15 F C C 15 177.000 178.251 -1.251
6854 16 . 1 1 15 15 F CA C 15 57.700 61.159 -3.459
6855 16 . 1 1 15 15 F CB C 15 37.500 38.691 -1.191
6856 16 . 1 1 15 15 F H H 15 7.380 7.974 -0.594
6857 16 . 1 1 16 16 E N N 16 118.800 117.609 1.191
6858 16 . 1 1 16 16 E HA H 16 3.660 3.784 -0.124
6859 16 . 1 1 16 16 E C C 16 178.700 178.783 -0.083
6860 16 . 1 1 16 16 E CA C 16 59.800 59.865 -0.065
6861 16 . 1 1 16 16 E CB C 16 29.100 29.144 -0.044
6862 16 . 1 1 16 16 E H H 16 7.990 8.362 -0.372
6863 16 . 1 1 17 17 K N N 17 118.200 119.347 -1.147
6864 16 . 1 1 17 17 K HA H 17 3.780 4.035 -0.255
6865 16 . 1 1 17 17 K C C 17 179.000 179.198 -0.198
6866 16 . 1 1 17 17 K CA C 17 59.600 59.366 0.234
6867 16 . 1 1 17 17 K CB C 17 32.400 32.320 0.080
6868 16 . 1 1 17 17 K H H 17 7.550 8.059 -0.509
6869 16 . 1 1 18 18 A N N 18 122.400 121.979 0.421
6870 16 . 1 1 18 18 A HA H 18 3.890 3.971 -0.081
6871 16 . 1 1 18 18 A C C 18 178.900 179.772 -0.872
6872 16 . 1 1 18 18 A CA C 18 54.800 54.684 0.116
6873 16 . 1 1 18 18 A CB C 18 17.100 17.413 -0.313
6874 16 . 1 1 18 18 A H H 18 8.060 7.840 0.220
6875 16 . 1 1 19 19 L N N 19 118.700 120.108 -1.408
6876 16 . 1 1 19 19 L HA H 19 3.690 4.041 -0.351
6877 16 . 1 1 19 19 L C C 19 177.700 178.008 -0.308
6878 16 . 1 1 19 19 L CA C 19 57.900 57.377 0.523
6879 16 . 1 1 19 19 L CB C 19 41.700 41.712 -0.012
6880 16 . 1 1 19 19 L H H 19 8.280 7.758 0.522
6881 16 . 1 1 20 20 K N N 20 116.600 119.358 -2.758
6882 16 . 1 1 20 20 K HA H 20 3.780 3.824 -0.044
6883 16 . 1 1 20 20 K C C 20 179.700 178.861 0.839
6884 16 . 1 1 20 20 K CA C 20 60.000 59.947 0.053
6885 16 . 1 1 20 20 K CB C 20 32.400 32.265 0.135
6886 16 . 1 1 20 20 K H H 20 7.760 8.362 -0.602
6887 16 . 1 1 21 21 E N N 21 118.700 119.131 -0.431
6888 16 . 1 1 21 21 E HA H 21 4.300 4.063 0.237
6889 16 . 1 1 21 21 E C C 21 178.500 179.931 -1.431
6890 16 . 1 1 21 21 E CA C 21 58.400 59.402 -1.002
6891 16 . 1 1 21 21 E CB C 21 29.100 29.377 -0.277
6892 16 . 1 1 21 21 E H H 21 7.750 8.141 -0.391
6893 16 . 1 1 22 22 M N N 22 119.100 119.239 -0.139
6894 16 . 1 1 22 22 M HA H 22 4.390 4.209 0.181
6895 16 . 1 1 22 22 M C C 22 178.800 178.669 0.131
6896 16 . 1 1 22 22 M CA C 22 57.300 58.662 -1.362
6897 16 . 1 1 22 22 M CB C 22 31.200 32.982 -1.782
6898 16 . 1 1 22 22 M H H 22 8.300 7.799 0.501
6899 16 . 1 1 23 23 I N N 23 120.200 119.447 0.753
6900 16 . 1 1 23 23 I HA H 23 3.550 3.677 -0.127
6901 16 . 1 1 23 23 I C C 23 177.600 177.956 -0.356
6902 16 . 1 1 23 23 I CA C 23 66.100 65.081 1.019
6903 16 . 1 1 23 23 I CB C 23 37.700 37.350 0.350
6904 16 . 1 1 23 23 I H H 23 8.460 8.249 0.211
6905 16 . 1 1 24 24 R N N 24 120.200 121.158 -0.958
6906 16 . 1 1 24 24 R HA H 24 3.890 3.904 -0.014
6907 16 . 1 1 24 24 R C C 24 179.400 178.936 0.464
6908 16 . 1 1 24 24 R CA C 24 59.900 60.057 -0.157
6909 16 . 1 1 24 24 R CB C 24 30.200 30.049 0.151
6910 16 . 1 1 24 24 R H H 24 7.720 8.271 -0.551
6911 16 . 1 1 25 25 Q N N 25 117.100 118.372 -1.272
6912 16 . 1 1 25 25 Q HA H 25 3.930 4.098 -0.168
6913 16 . 1 1 25 25 Q C C 25 177.600 178.416 -0.816
6914 16 . 1 1 25 25 Q CA C 25 58.000 58.721 -0.721
6915 16 . 1 1 25 25 Q CB C 25 27.800 28.344 -0.544
6916 16 . 1 1 25 25 Q H H 25 8.190 7.757 0.433
6917 16 . 1 1 26 26 A N N 26 120.300 122.838 -2.538
6918 16 . 1 1 26 26 A HA H 26 3.690 4.289 -0.599
6919 16 . 1 1 26 26 A C C 26 179.400 179.987 -0.587
6920 16 . 1 1 26 26 A CA C 26 54.200 55.127 -0.927
6921 16 . 1 1 26 26 A CB C 26 18.300 18.371 -0.071
6922 16 . 1 1 26 26 A H H 26 8.240 8.549 -0.309
6923 16 . 1 1 27 27 R N N 27 117.500 117.737 -0.237
6924 16 . 1 1 27 27 R HA H 27 4.070 4.144 -0.074
6925 16 . 1 1 27 27 R C C 27 178.900 178.351 0.549
6926 16 . 1 1 27 27 R CA C 27 58.500 59.481 -0.981
6927 16 . 1 1 27 27 R CB C 27 29.700 30.041 -0.341
6928 16 . 1 1 27 27 R H H 27 8.080 8.442 -0.362
6929 16 . 1 1 28 28 K N N 28 119.100 117.116 1.984
6930 16 . 1 1 28 28 K HA H 28 4.000 4.138 -0.138
6931 16 . 1 1 28 28 K C C 28 176.900 176.180 0.720
6932 16 . 1 1 28 28 K CA C 28 58.600 57.607 0.993
6933 16 . 1 1 28 28 K CB C 28 32.100 32.630 -0.530
6934 16 . 1 1 28 28 K H H 28 7.520 7.610 -0.090
6935 16 . 1 1 29 29 F N N 29 114.500 118.154 -3.654
6936 16 . 1 1 29 29 F HA H 29 4.930 4.885 0.045
6937 16 . 1 1 29 29 F C C 29 173.600 175.966 -2.366
6938 16 . 1 1 29 29 F CA C 29 55.800 57.431 -1.631
6939 16 . 1 1 29 29 F CB C 29 39.000 41.946 -2.946
6940 16 . 1 1 29 29 F H H 29 7.010 7.846 -0.836
6941 16 . 1 1 30 30 A N N 30 121.600 122.048 -0.448
6942 16 . 1 1 30 30 A HA H 30 4.130 4.472 -0.342
6943 16 . 1 1 30 30 A C C 30 176.700 177.811 -1.111
6944 16 . 1 1 30 30 A CA C 30 52.900 52.622 0.278
6945 16 . 1 1 30 30 A CB C 30 17.000 19.881 -2.881
6946 16 . 1 1 30 30 A H H 30 7.830 8.595 -0.765
6947 16 . 1 1 31 31 G N N 31 105.400 106.880 -1.480
6948 16 . 1 1 31 31 G C C 31 173.100 172.909 0.191
6949 16 . 1 1 31 31 G CA C 31 45.100 45.366 -0.266
6950 16 . 1 1 31 31 G H H 31 7.950 7.966 -0.016
6951 16 . 1 1 32 32 T N N 32 115.700 117.684 -1.984
6952 16 . 1 1 32 32 T HA H 32 4.580 4.953 -0.373
6953 16 . 1 1 32 32 T C C 32 173.100 173.400 -0.300
6954 16 . 1 1 32 32 T CA C 32 61.900 62.115 -0.215
6955 16 . 1 1 32 32 T CB C 32 70.500 70.536 -0.036
6956 16 . 1 1 32 32 T H H 32 8.220 8.638 -0.418
6957 16 . 1 1 33 33 V N N 33 125.300 124.320 0.980
6958 16 . 1 1 33 33 V HA H 33 5.150 5.060 0.090
6959 16 . 1 1 33 33 V C C 33 175.300 174.267 1.033
6960 16 . 1 1 33 33 V CA C 33 60.800 60.705 0.095
6961 16 . 1 1 33 33 V CB C 33 34.300 34.698 -0.398
6962 16 . 1 1 33 33 V H H 33 8.610 8.670 -0.060
6963 16 . 1 1 34 34 T N N 34 120.200 122.300 -2.100
6964 16 . 1 1 34 34 T HA H 34 4.670 5.200 -0.530
6965 16 . 1 1 34 34 T CA C 34 60.200 59.359 0.841
6966 16 . 1 1 34 34 T CB C 34 71.600 71.754 -0.154
6967 16 . 1 1 34 34 T H H 34 8.890 8.822 0.068
6968 16 . 1 1 35 35 Y N N 35 118.100 122.910 -4.810
6969 16 . 1 1 35 35 Y HA H 35 5.720 5.978 -0.258
6970 16 . 1 1 35 35 Y C C 35 174.400 172.975 1.425
6971 16 . 1 1 35 35 Y CA C 35 56.200 55.533 0.667
6972 16 . 1 1 35 35 Y CB C 35 41.800 42.188 -0.388
6973 16 . 1 1 35 35 Y H H 35 8.360 8.537 -0.177
6974 16 . 1 1 36 36 T N N 36 115.200 115.356 -0.156
6975 16 . 1 1 36 36 T HA H 36 4.400 5.066 -0.666
6976 16 . 1 1 36 36 T CA C 36 60.200 60.065 0.135
6977 16 . 1 1 36 36 T CB C 36 71.800 71.480 0.320
6978 16 . 1 1 36 36 T H H 36 9.020 9.022 -0.002
6979 16 . 1 1 37 37 L N N 37 129.300 129.318 -0.018
6980 16 . 1 1 37 37 L HA H 37 5.020 5.028 -0.008
6981 16 . 1 1 37 37 L C C 37 174.900 174.961 -0.061
6982 16 . 1 1 37 37 L CA C 37 54.400 53.371 1.029
6983 16 . 1 1 37 37 L CB C 37 43.800 42.753 1.047
6984 16 . 1 1 37 37 L H H 37 8.850 8.991 -0.141
6985 16 . 1 1 38 38 D N N 38 127.200 124.873 2.327
6986 16 . 1 1 38 38 D HA H 38 4.850 4.897 -0.047
6987 16 . 1 1 38 38 D CA C 38 53.000 52.469 0.531
6988 16 . 1 1 38 38 D CB C 38 42.300 41.677 0.623
6989 16 . 1 1 38 38 D H H 38 8.740 8.981 -0.241
6990 16 . 1 1 39 39 G N N 39 114.000 115.369 -1.369
6991 16 . 1 1 39 39 G C C 39 174.000 174.646 -0.646
6992 16 . 1 1 39 39 G CA C 39 47.400 47.240 0.160
6993 16 . 1 1 39 39 G H H 39 8.700 8.868 -0.168
6994 16 . 1 1 40 40 N N N 40 124.400 124.581 -0.181
6995 16 . 1 1 40 40 N HA H 40 5.070 4.973 0.097
6996 16 . 1 1 40 40 N C C 40 173.100 173.736 -0.636
6997 16 . 1 1 40 40 N CA C 40 53.200 53.057 0.143
6998 16 . 1 1 40 40 N CB C 40 39.300 39.148 0.152
6999 16 . 1 1 40 40 N H H 40 8.740 8.701 0.039
7000 16 . 1 1 41 41 D N N 41 118.500 120.569 -2.069
7001 16 . 1 1 41 41 D HA H 41 5.410 5.450 -0.040
7002 16 . 1 1 41 41 D C C 41 173.600 174.044 -0.444
7003 16 . 1 1 41 41 D CA C 41 53.700 53.075 0.625
7004 16 . 1 1 41 41 D CB C 41 43.800 44.765 -0.965
7005 16 . 1 1 41 41 D H H 41 7.980 7.497 0.483
7006 16 . 1 1 42 42 L N N 42 125.100 125.639 -0.539
7007 16 . 1 1 42 42 L HA H 42 4.960 5.155 -0.195
7008 16 . 1 1 42 42 L C C 42 173.600 174.020 -0.420
7009 16 . 1 1 42 42 L CA C 42 53.400 54.294 -0.894
7010 16 . 1 1 42 42 L CB C 42 43.700 46.039 -2.339
7011 16 . 1 1 42 42 L H H 42 8.520 8.992 -0.472
7012 16 . 1 1 43 43 E N N 43 127.800 128.561 -0.761
7013 16 . 1 1 43 43 E HA H 43 5.280 5.251 0.029
7014 16 . 1 1 43 43 E C C 43 174.900 175.174 -0.274
7015 16 . 1 1 43 43 E CA C 43 54.500 55.113 -0.613
7016 16 . 1 1 43 43 E CB C 43 32.000 32.690 -0.690
7017 16 . 1 1 43 43 E H H 43 8.990 9.092 -0.102
7018 16 . 1 1 44 44 I N N 44 126.300 126.315 -0.015
7019 16 . 1 1 44 44 I HA H 44 4.760 4.911 -0.151
7020 16 . 1 1 44 44 I C C 44 173.800 174.478 -0.678
7021 16 . 1 1 44 44 I CA C 44 60.000 60.598 -0.598
7022 16 . 1 1 44 44 I CB C 44 41.200 40.187 1.013
7023 16 . 1 1 44 44 I H H 44 9.590 8.928 0.662
7024 16 . 1 1 45 45 R N N 45 127.800 128.764 -0.964
7025 16 . 1 1 45 45 R HA H 45 5.250 4.865 0.385
7026 16 . 1 1 45 45 R C C 45 175.300 174.972 0.328
7027 16 . 1 1 45 45 R CA C 45 55.000 55.608 -0.608
7028 16 . 1 1 45 45 R CB C 45 31.700 31.374 0.326
7029 16 . 1 1 45 45 R H H 45 9.130 9.229 -0.099
7030 16 . 1 1 46 46 I N N 46 125.800 128.787 -2.987
7031 16 . 1 1 46 46 I HA H 46 5.150 5.020 0.130
7032 16 . 1 1 46 46 I C C 46 175.600 175.144 0.456
7033 16 . 1 1 46 46 I CA C 46 60.100 60.133 -0.033
7034 16 . 1 1 46 46 I CB C 46 39.900 39.743 0.157
7035 16 . 1 1 46 46 I H H 46 9.180 9.059 0.121
7036 16 . 1 1 47 47 T N N 47 118.800 120.870 -2.070
7037 16 . 1 1 47 47 T HA H 47 5.010 4.796 0.214
7038 16 . 1 1 47 47 T C C 47 174.300 174.902 -0.602
7039 16 . 1 1 47 47 T CA C 47 60.100 60.888 -0.788
7040 16 . 1 1 47 47 T CB C 47 70.900 71.626 -0.726
7041 16 . 1 1 47 47 T H H 47 9.020 8.950 0.070
7042 16 . 1 1 48 48 G N N 48 109.000 114.799 -5.799
7043 16 . 1 1 48 48 G C C 48 174.700 174.581 0.119
7044 16 . 1 1 48 48 G CA C 48 46.200 45.334 0.866
7045 16 . 1 1 48 48 G H H 48 8.350 8.122 0.228
7046 16 . 1 1 49 49 V N N 49 114.200 119.350 -5.150
7047 16 . 1 1 49 49 V HA H 49 4.260 3.972 0.288
7048 16 . 1 1 49 49 V CA C 49 58.200 60.687 -2.487
7049 16 . 1 1 49 49 V CB C 49 32.500 31.203 1.297
7050 16 . 1 1 49 49 V H H 49 7.760 7.682 0.078
7051 16 . 1 1 50 50 P HA H 50 4.580 4.483 0.097
7052 16 . 1 1 50 50 P C C 50 177.200 177.842 -0.642
7053 16 . 1 1 50 50 P CA C 50 61.800 62.569 -0.769
7054 16 . 1 1 50 50 P CB C 50 32.500 32.730 -0.230
7055 16 . 1 1 51 51 E N N 51 123.400 122.119 1.281
7056 16 . 1 1 51 51 E HA H 51 4.000 3.980 0.020
7057 16 . 1 1 51 51 E C C 51 178.500 178.635 -0.135
7058 16 . 1 1 51 51 E CA C 51 59.500 59.260 0.240
7059 16 . 1 1 51 51 E CB C 51 29.300 28.925 0.375
7060 16 . 1 1 51 51 E H H 51 8.890 8.615 0.275
7061 16 . 1 1 52 52 Q N N 52 115.200 118.669 -3.469
7062 16 . 1 1 52 52 Q HA H 52 4.100 4.073 0.027
7063 16 . 1 1 52 52 Q C C 52 177.300 177.819 -0.519
7064 16 . 1 1 52 52 Q CA C 52 58.600 58.796 -0.196
7065 16 . 1 1 52 52 Q CB C 52 27.700 27.749 -0.049
7066 16 . 1 1 52 52 Q H H 52 8.910 8.267 0.643
7067 16 . 1 1 53 53 V N N 53 114.900 120.705 -5.805
7068 16 . 1 1 53 53 V HA H 53 4.120 3.675 0.445
7069 16 . 1 1 53 53 V C C 53 176.100 177.405 -1.305
7070 16 . 1 1 53 53 V CA C 53 62.100 66.374 -4.274
7071 16 . 1 1 53 53 V CB C 53 31.900 31.192 0.708
7072 16 . 1 1 53 53 V H H 53 7.080 7.386 -0.306
7073 16 . 1 1 54 54 R N N 54 121.500 120.189 1.311
7074 16 . 1 1 54 54 R HA H 54 3.620 3.875 -0.255
7075 16 . 1 1 54 54 R C C 54 177.100 178.396 -1.296
7076 16 . 1 1 54 54 R CA C 54 60.400 59.737 0.663
7077 16 . 1 1 54 54 R CB C 54 29.700 29.884 -0.184
7078 16 . 1 1 54 54 R H H 54 7.510 8.198 -0.688
7079 16 . 1 1 55 55 K N N 55 116.800 117.847 -1.047
7080 16 . 1 1 55 55 K HA H 55 3.890 4.004 -0.114
7081 16 . 1 1 55 55 K C C 55 176.000 178.702 -2.702
7082 16 . 1 1 55 55 K CA C 55 59.600 59.169 0.431
7083 16 . 1 1 55 55 K CB C 55 31.800 31.851 -0.051
7084 16 . 1 1 55 55 K H H 55 8.170 8.128 0.042
7085 16 . 1 1 56 56 E N N 56 120.200 119.636 0.564
7086 16 . 1 1 56 56 E HA H 56 4.050 4.089 -0.039
7087 16 . 1 1 56 56 E CA C 56 59.100 58.839 0.261
7088 16 . 1 1 56 56 E CB C 56 29.200 30.157 -0.957
7089 16 . 1 1 56 56 E H H 56 7.600 7.760 -0.160
7090 16 . 1 1 57 57 L N N 57 120.200 120.290 -0.090
7091 16 . 1 1 57 57 L HA H 57 3.970 4.015 -0.045
7092 16 . 1 1 57 57 L C C 57 178.300 178.937 -0.637
7093 16 . 1 1 57 57 L CA C 57 57.700 57.837 -0.137
7094 16 . 1 1 57 57 L CB C 57 42.000 40.884 1.116
7095 16 . 1 1 57 57 L H H 57 7.980 8.355 -0.375
7096 16 . 1 1 58 58 A N N 58 120.600 121.981 -1.381
7097 16 . 1 1 58 58 A HA H 58 3.400 3.765 -0.365
7098 16 . 1 1 58 58 A C C 58 178.600 178.749 -0.149
7099 16 . 1 1 58 58 A CA C 58 55.200 55.388 -0.188
7100 16 . 1 1 58 58 A CB C 58 17.600 19.061 -1.461
7101 16 . 1 1 58 58 A H H 58 7.820 8.289 -0.469
7102 16 . 1 1 59 59 K N N 59 116.600 118.654 -2.054
7103 16 . 1 1 59 59 K HA H 59 3.990 3.885 0.105
7104 16 . 1 1 59 59 K C C 59 179.900 178.202 1.698
7105 16 . 1 1 59 59 K CA C 59 59.400 59.839 -0.439
7106 16 . 1 1 59 59 K CB C 59 32.000 32.627 -0.627
7107 16 . 1 1 59 59 K H H 59 7.630 7.586 0.044
7108 16 . 1 1 60 60 E N N 60 120.700 118.724 1.976
7109 16 . 1 1 60 60 E HA H 60 4.390 4.082 0.308
7110 16 . 1 1 60 60 E C C 60 178.100 178.306 -0.206
7111 16 . 1 1 60 60 E CA C 60 58.100 59.443 -1.343
7112 16 . 1 1 60 60 E CB C 60 28.800 29.214 -0.414
7113 16 . 1 1 60 60 E H H 60 7.950 7.930 0.020
7114 16 . 1 1 61 61 A N N 61 122.400 122.119 0.281
7115 16 . 1 1 61 61 A HA H 61 4.160 4.297 -0.137
7116 16 . 1 1 61 61 A C C 61 179.100 180.207 -1.107
7117 16 . 1 1 61 61 A CA C 61 56.000 54.956 1.044
7118 16 . 1 1 61 61 A CB C 61 17.300 18.382 -1.082
7119 16 . 1 1 61 61 A H H 61 8.300 8.516 -0.216
7120 16 . 1 1 62 62 E N N 62 115.600 117.939 -2.339
7121 16 . 1 1 62 62 E HA H 62 4.040 4.109 -0.069
7122 16 . 1 1 62 62 E C C 62 179.200 179.118 0.082
7123 16 . 1 1 62 62 E CA C 62 59.200 59.471 -0.271
7124 16 . 1 1 62 62 E CB C 62 29.300 29.210 0.090
7125 16 . 1 1 62 62 E H H 62 8.100 8.053 0.047
7126 16 . 1 1 63 63 R N N 63 122.800 120.714 2.086
7127 16 . 1 1 63 63 R HA H 63 4.040 4.085 -0.045
7128 16 . 1 1 63 63 R C C 63 179.100 178.966 0.134
7129 16 . 1 1 63 63 R CA C 63 59.600 58.882 0.718
7130 16 . 1 1 63 63 R CB C 63 29.800 29.824 -0.024
7131 16 . 1 1 63 63 R H H 63 8.250 7.672 0.578
7132 16 . 1 1 64 64 L N N 64 120.800 120.139 0.661
7133 16 . 1 1 64 64 L HA H 64 3.870 3.991 -0.121
7134 16 . 1 1 64 64 L C C 64 178.200 179.120 -0.920
7135 16 . 1 1 64 64 L CA C 64 57.500 58.006 -0.506
7136 16 . 1 1 64 64 L CB C 64 42.300 41.684 0.616
7137 16 . 1 1 64 64 L H H 64 8.460 8.505 -0.045
7138 16 . 1 1 65 65 A N N 65 120.200 121.617 -1.417
7139 16 . 1 1 65 65 A HA H 65 4.050 4.198 -0.148
7140 16 . 1 1 65 65 A C C 65 179.500 179.880 -0.380
7141 16 . 1 1 65 65 A CA C 65 55.200 55.903 -0.703
7142 16 . 1 1 65 65 A CB C 65 17.900 18.413 -0.513
7143 16 . 1 1 65 65 A H H 65 8.190 8.444 -0.254
7144 16 . 1 1 66 66 K N N 66 116.500 117.491 -0.991
7145 16 . 1 1 66 66 K HA H 66 4.190 4.043 0.147
7146 16 . 1 1 66 66 K C C 66 178.800 179.682 -0.882
7147 16 . 1 1 66 66 K CA C 66 58.900 59.543 -0.643
7148 16 . 1 1 66 66 K CB C 66 32.300 32.244 0.056
7149 16 . 1 1 66 66 K H H 66 7.700 7.826 -0.126
7150 16 . 1 1 67 67 E N N 67 120.200 120.743 -0.543
7151 16 . 1 1 67 67 E HA H 67 3.840 3.888 -0.048
7152 16 . 1 1 67 67 E C C 67 178.000 177.325 0.675
7153 16 . 1 1 67 67 E CA C 67 59.100 59.099 0.001
7154 16 . 1 1 67 67 E CB C 67 29.300 29.294 0.006
7155 16 . 1 1 67 67 E H H 67 8.270 8.088 0.182
7156 16 . 1 1 68 68 F N N 68 113.400 116.225 -2.825
7157 16 . 1 1 68 68 F HA H 68 4.760 4.618 0.142
7158 16 . 1 1 68 68 F C C 68 174.400 174.582 -0.182
7159 16 . 1 1 68 68 F CA C 68 56.300 57.243 -0.943
7160 16 . 1 1 68 68 F CB C 68 39.400 38.782 0.618
7161 16 . 1 1 68 68 F H H 68 7.800 7.188 0.612
7162 16 . 1 1 69 69 N N N 69 118.200 113.669 4.531
7163 16 . 1 1 69 69 N HA H 69 4.510 4.345 0.165
7164 16 . 1 1 69 69 N CA C 69 54.200 54.527 -0.327
7165 16 . 1 1 69 69 N CB C 69 37.000 37.094 -0.094
7166 16 . 1 1 69 69 N H H 69 7.950 7.952 -0.002
7167 16 . 1 1 70 70 I N N 70 113.900 115.347 -1.447
7168 16 . 1 1 70 70 I HA H 70 4.950 4.672 0.278
7169 16 . 1 1 70 70 I CA C 70 59.800 59.094 0.706
7170 16 . 1 1 70 70 I CB C 70 40.000 40.061 -0.061
7171 16 . 1 1 70 70 I H H 70 8.480 7.796 0.684
7172 16 . 1 1 71 71 T N N 71 113.600 117.803 -4.203
7173 16 . 1 1 71 71 T HA H 71 4.820 4.915 -0.095
7174 16 . 1 1 71 71 T C C 71 173.500 173.367 0.133
7175 16 . 1 1 71 71 T CA C 71 61.500 61.929 -0.429
7176 16 . 1 1 71 71 T CB C 71 71.200 70.470 0.730
7177 16 . 1 1 71 71 T H H 71 8.520 8.643 -0.123
7178 16 . 1 1 72 72 V N N 72 122.600 128.171 -5.571
7179 16 . 1 1 72 72 V HA H 72 5.330 4.886 0.444
7180 16 . 1 1 72 72 V C C 72 173.200 174.861 -1.661
7181 16 . 1 1 72 72 V CA C 72 59.200 59.516 -0.316
7182 16 . 1 1 72 72 V CB C 72 35.800 34.266 1.534
7183 16 . 1 1 72 72 V H H 72 8.720 9.077 -0.357
7184 16 . 1 1 73 73 T N N 73 119.300 120.677 -1.377
7185 16 . 1 1 73 73 T HA H 73 4.410 5.155 -0.745
7186 16 . 1 1 73 73 T CA C 73 60.100 60.149 -0.049
7187 16 . 1 1 73 73 T CB C 73 71.800 71.006 0.794
7188 16 . 1 1 73 73 T H H 73 8.430 9.151 -0.721
7189 16 . 1 1 74 74 Y N N 74 118.100 119.436 -1.336
7190 16 . 1 1 74 74 Y HA H 74 5.530 6.233 -0.703
7191 16 . 1 1 74 74 Y CA C 74 55.900 55.260 0.640
7192 16 . 1 1 74 74 Y CB C 74 41.600 41.773 -0.173
7193 16 . 1 1 74 74 Y H H 74 8.120 8.395 -0.275
7194 16 . 1 1 75 75 T N N 75 115.000 118.690 -3.690
7195 16 . 1 1 75 75 T HA H 75 4.590 4.899 -0.309
7196 16 . 1 1 75 75 T CA C 75 60.700 62.078 -1.378
7197 16 . 1 1 75 75 T CB C 75 71.700 69.704 1.996
7198 16 . 1 1 75 75 T H H 75 8.810 8.891 -0.081
7199 16 . 1 1 76 76 I N N 76 124.400 128.114 -3.714
7200 16 . 1 1 76 76 I HA H 76 4.800 5.152 -0.352
7201 16 . 1 1 76 76 I C C 76 175.300 175.230 0.070
7202 16 . 1 1 76 76 I CA C 76 59.900 59.704 0.196
7203 16 . 1 1 76 76 I CB C 76 39.500 40.855 -1.355
7204 16 . 1 1 76 76 I H H 76 8.650 9.236 -0.586
7205 16 . 1 1 77 77 R N N 77 125.900 124.811 1.089
7206 16 . 1 1 77 77 R HA H 77 4.570 5.113 -0.543
7207 16 . 1 1 77 77 R CA C 77 55.100 54.549 0.551
7208 16 . 1 1 77 77 R CB C 77 32.500 33.672 -1.172
7209 16 . 1 1 77 77 R H H 77 8.680 8.887 -0.207
7210 16 . 1 1 78 78 L N N 78 124.400 120.954 3.446
7211 16 . 1 1 78 78 L HA H 78 4.320 5.077 -0.757
7212 16 . 1 1 78 78 L C C 78 177.000 175.371 1.629
7213 16 . 1 1 78 78 L CA C 78 55.200 52.823 2.377
7214 16 . 1 1 78 78 L CB C 78 42.200 45.727 -3.527
7215 16 . 1 1 78 78 L H H 78 8.500 9.041 -0.541
7216 16 . 1 1 79 79 E N N 79 121.300 121.574 -0.274
7217 16 . 1 1 79 79 E HA H 79 4.150 4.169 -0.019
7218 16 . 1 1 79 79 E C C 79 173.700 175.573 -1.873
7219 16 . 1 1 79 79 E CA C 79 55.400 56.185 -0.785
7220 16 . 1 1 79 79 E CB C 79 30.100 29.529 0.571
7221 16 . 1 1 79 79 E H H 79 8.310 8.430 -0.120
7222 16 . 1 1 80 80 H N N 80 125.300 123.251 2.049
7223 16 . 1 1 80 80 H HA H 80 4.580 5.132 -0.552
7224 16 . 1 1 80 80 H CA C 80 57.100 54.258 2.842
7225 16 . 1 1 80 80 H CB C 80 30.300 31.231 -0.931
7226 16 . 1 1 80 80 H H H 80 8.090 7.831 0.259
7227 17 . 1 1 2 2 E N N 2 121.100 124.196 -3.096
7228 17 . 1 1 2 2 E HA H 2 5.260 5.364 -0.104
7229 17 . 1 1 2 2 E C C 2 174.300 174.295 0.005
7230 17 . 1 1 2 2 E CA C 2 54.300 54.737 -0.437
7231 17 . 1 1 2 2 E CB C 2 32.400 33.665 -1.265
7232 17 . 1 1 2 2 E H H 2 8.720 8.402 0.318
7233 17 . 1 1 3 3 M N N 3 122.600 126.074 -3.474
7234 17 . 1 1 3 3 M HA H 3 5.120 5.094 0.026
7235 17 . 1 1 3 3 M C C 3 172.600 173.689 -1.089
7236 17 . 1 1 3 3 M CA C 3 54.600 54.306 0.294
7237 17 . 1 1 3 3 M CB C 3 37.000 35.604 1.396
7238 17 . 1 1 3 3 M H H 3 8.990 8.980 0.010
7239 17 . 1 1 4 4 D N N 4 126.300 128.335 -2.035
7240 17 . 1 1 4 4 D HA H 4 5.650 4.924 0.726
7241 17 . 1 1 4 4 D C C 4 175.000 175.035 -0.035
7242 17 . 1 1 4 4 D CA C 4 52.600 53.072 -0.472
7243 17 . 1 1 4 4 D CB C 4 41.800 42.416 -0.616
7244 17 . 1 1 4 4 D H H 4 8.810 9.280 -0.470
7245 17 . 1 1 5 5 I N N 5 124.600 127.091 -2.491
7246 17 . 1 1 5 5 I HA H 5 4.470 4.845 -0.375
7247 17 . 1 1 5 5 I C C 5 173.600 174.918 -1.318
7248 17 . 1 1 5 5 I CA C 5 60.500 60.461 0.039
7249 17 . 1 1 5 5 I CB C 5 41.100 40.072 1.028
7250 17 . 1 1 5 5 I H H 5 9.520 9.122 0.398
7251 17 . 1 1 6 6 R N N 6 127.500 126.126 1.374
7252 17 . 1 1 6 6 R HA H 6 5.410 5.113 0.297
7253 17 . 1 1 6 6 R C C 6 175.300 175.020 0.280
7254 17 . 1 1 6 6 R CA C 6 54.400 54.778 -0.378
7255 17 . 1 1 6 6 R CB C 6 32.500 32.803 -0.303
7256 17 . 1 1 6 6 R H H 6 8.970 8.785 0.185
7257 17 . 1 1 7 7 F N N 7 125.400 120.545 4.855
7258 17 . 1 1 7 7 F HA H 7 5.720 5.491 0.229
7259 17 . 1 1 7 7 F C C 7 174.800 174.821 -0.021
7260 17 . 1 1 7 7 F CA C 7 56.000 56.563 -0.563
7261 17 . 1 1 7 7 F CB C 7 42.300 42.145 0.155
7262 17 . 1 1 7 7 F H H 7 9.530 9.226 0.304
7263 17 . 1 1 8 8 R N N 8 121.100 122.252 -1.152
7264 17 . 1 1 8 8 R HA H 8 5.700 5.351 0.349
7265 17 . 1 1 8 8 R C C 8 175.400 175.374 0.026
7266 17 . 1 1 8 8 R CA C 8 54.500 55.063 -0.563
7267 17 . 1 1 8 8 R CB C 8 33.800 34.044 -0.244
7268 17 . 1 1 8 8 R H H 8 8.770 9.283 -0.513
7269 17 . 1 1 9 9 G N N 9 111.500 112.083 -0.583
7270 17 . 1 1 9 9 G C C 9 171.200 173.660 -2.460
7271 17 . 1 1 9 9 G CA C 9 45.200 45.935 -0.735
7272 17 . 1 1 9 9 G H H 9 8.630 8.091 0.539
7273 17 . 1 1 10 10 D N N 10 117.300 121.133 -3.833
7274 17 . 1 1 10 10 D HA H 10 4.710 4.757 -0.047
7275 17 . 1 1 10 10 D C C 10 175.300 175.887 -0.587
7276 17 . 1 1 10 10 D CA C 10 53.400 54.436 -1.036
7277 17 . 1 1 10 10 D CB C 10 41.400 42.345 -0.945
7278 17 . 1 1 10 10 D H H 10 8.230 8.857 -0.627
7279 17 . 1 1 11 11 D N N 11 119.000 119.807 -0.807
7280 17 . 1 1 11 11 D HA H 11 4.690 4.587 0.103
7281 17 . 1 1 11 11 D C C 11 175.500 176.515 -1.015
7282 17 . 1 1 11 11 D CA C 11 52.600 54.395 -1.795
7283 17 . 1 1 11 11 D CB C 11 41.500 41.329 0.171
7284 17 . 1 1 11 11 D H H 11 7.400 7.482 -0.082
7285 17 . 1 1 12 12 L N N 12 125.800 127.725 -1.925
7286 17 . 1 1 12 12 L HA H 12 3.850 4.023 -0.173
7287 17 . 1 1 12 12 L C C 12 179.100 177.830 1.270
7288 17 . 1 1 12 12 L CA C 12 57.800 58.955 -1.155
7289 17 . 1 1 12 12 L CB C 12 41.700 41.427 0.273
7290 17 . 1 1 12 12 L H H 12 8.520 8.708 -0.188
7291 17 . 1 1 13 13 E N N 13 119.800 118.516 1.284
7292 17 . 1 1 13 13 E HA H 13 3.980 4.004 -0.024
7293 17 . 1 1 13 13 E C C 13 178.600 179.040 -0.440
7294 17 . 1 1 13 13 E CA C 13 59.300 59.617 -0.317
7295 17 . 1 1 13 13 E CB C 13 29.100 29.596 -0.496
7296 17 . 1 1 13 13 E H H 13 8.140 8.625 -0.485
7297 17 . 1 1 14 14 A N N 14 122.200 121.208 0.992
7298 17 . 1 1 14 14 A HA H 14 3.380 3.244 0.136
7299 17 . 1 1 14 14 A C C 14 179.300 179.148 0.152
7300 17 . 1 1 14 14 A CA C 14 54.400 54.351 0.049
7301 17 . 1 1 14 14 A CB C 14 18.700 17.799 0.901
7302 17 . 1 1 14 14 A H H 14 7.460 7.976 -0.516
7303 17 . 1 1 15 15 F N N 15 115.400 120.007 -4.607
7304 17 . 1 1 15 15 F HA H 15 3.850 3.909 -0.059
7305 17 . 1 1 15 15 F C C 15 177.000 177.230 -0.230
7306 17 . 1 1 15 15 F CA C 15 57.700 61.261 -3.561
7307 17 . 1 1 15 15 F CB C 15 37.500 39.487 -1.987
7308 17 . 1 1 15 15 F H H 15 7.380 8.009 -0.629
7309 17 . 1 1 16 16 E N N 16 118.800 117.738 1.062
7310 17 . 1 1 16 16 E HA H 16 3.660 3.540 0.120
7311 17 . 1 1 16 16 E C C 16 178.700 178.468 0.232
7312 17 . 1 1 16 16 E CA C 16 59.800 58.874 0.926
7313 17 . 1 1 16 16 E CB C 16 29.100 28.722 0.378
7314 17 . 1 1 16 16 E H H 16 7.990 8.487 -0.497
7315 17 . 1 1 17 17 K N N 17 118.200 119.117 -0.917
7316 17 . 1 1 17 17 K HA H 17 3.780 3.900 -0.120
7317 17 . 1 1 17 17 K C C 17 179.000 178.495 0.505
7318 17 . 1 1 17 17 K CA C 17 59.600 59.057 0.543
7319 17 . 1 1 17 17 K CB C 17 32.400 31.987 0.413
7320 17 . 1 1 17 17 K H H 17 7.550 7.820 -0.270
7321 17 . 1 1 18 18 A N N 18 122.400 121.587 0.813
7322 17 . 1 1 18 18 A HA H 18 3.890 3.764 0.126
7323 17 . 1 1 18 18 A C C 18 178.900 179.516 -0.616
7324 17 . 1 1 18 18 A CA C 18 54.800 54.784 0.016
7325 17 . 1 1 18 18 A CB C 18 17.100 17.887 -0.787
7326 17 . 1 1 18 18 A H H 18 8.060 7.594 0.466
7327 17 . 1 1 19 19 L N N 19 118.700 119.187 -0.487
7328 17 . 1 1 19 19 L HA H 19 3.690 3.806 -0.116
7329 17 . 1 1 19 19 L C C 19 177.700 178.146 -0.446
7330 17 . 1 1 19 19 L CA C 19 57.900 57.630 0.270
7331 17 . 1 1 19 19 L CB C 19 41.700 40.918 0.782
7332 17 . 1 1 19 19 L H H 19 8.280 7.572 0.708
7333 17 . 1 1 20 20 K N N 20 116.600 118.447 -1.847
7334 17 . 1 1 20 20 K HA H 20 3.780 3.821 -0.041
7335 17 . 1 1 20 20 K C C 20 179.700 178.674 1.026
7336 17 . 1 1 20 20 K CA C 20 60.000 59.704 0.296
7337 17 . 1 1 20 20 K CB C 20 32.400 32.391 0.009
7338 17 . 1 1 20 20 K H H 20 7.760 7.726 0.034
7339 17 . 1 1 21 21 E N N 21 118.700 119.170 -0.470
7340 17 . 1 1 21 21 E HA H 21 4.300 4.030 0.270
7341 17 . 1 1 21 21 E C C 21 178.500 179.595 -1.095
7342 17 . 1 1 21 21 E CA C 21 58.400 59.420 -1.020
7343 17 . 1 1 21 21 E CB C 21 29.100 29.717 -0.617
7344 17 . 1 1 21 21 E H H 21 7.750 7.812 -0.062
7345 17 . 1 1 22 22 M N N 22 119.100 119.339 -0.239
7346 17 . 1 1 22 22 M HA H 22 4.390 4.117 0.273
7347 17 . 1 1 22 22 M C C 22 178.800 178.708 0.092
7348 17 . 1 1 22 22 M CA C 22 57.300 58.497 -1.197
7349 17 . 1 1 22 22 M CB C 22 31.200 32.677 -1.477
7350 17 . 1 1 22 22 M H H 22 8.300 8.108 0.192
7351 17 . 1 1 23 23 I N N 23 120.200 119.321 0.879
7352 17 . 1 1 23 23 I HA H 23 3.550 3.624 -0.074
7353 17 . 1 1 23 23 I C C 23 177.600 178.048 -0.448
7354 17 . 1 1 23 23 I CA C 23 66.100 64.996 1.104
7355 17 . 1 1 23 23 I CB C 23 37.700 37.750 -0.050
7356 17 . 1 1 23 23 I H H 23 8.460 7.943 0.517
7357 17 . 1 1 24 24 R N N 24 120.200 120.901 -0.701
7358 17 . 1 1 24 24 R HA H 24 3.890 3.859 0.031
7359 17 . 1 1 24 24 R C C 24 179.400 178.463 0.937
7360 17 . 1 1 24 24 R CA C 24 59.900 59.583 0.317
7361 17 . 1 1 24 24 R CB C 24 30.200 29.995 0.205
7362 17 . 1 1 24 24 R H H 24 7.720 8.228 -0.508
7363 17 . 1 1 25 25 Q N N 25 117.100 118.831 -1.731
7364 17 . 1 1 25 25 Q HA H 25 3.930 4.108 -0.178
7365 17 . 1 1 25 25 Q C C 25 177.600 178.679 -1.079
7366 17 . 1 1 25 25 Q CA C 25 58.000 58.621 -0.621
7367 17 . 1 1 25 25 Q CB C 25 27.800 28.896 -1.096
7368 17 . 1 1 25 25 Q H H 25 8.190 7.912 0.278
7369 17 . 1 1 26 26 A N N 26 120.300 122.147 -1.847
7370 17 . 1 1 26 26 A HA H 26 3.690 4.288 -0.598
7371 17 . 1 1 26 26 A C C 26 179.400 179.948 -0.548
7372 17 . 1 1 26 26 A CA C 26 54.200 55.223 -1.023
7373 17 . 1 1 26 26 A CB C 26 18.300 18.424 -0.124
7374 17 . 1 1 26 26 A H H 26 8.240 8.105 0.135
7375 17 . 1 1 27 27 R N N 27 117.500 117.789 -0.289
7376 17 . 1 1 27 27 R HA H 27 4.070 4.121 -0.051
7377 17 . 1 1 27 27 R C C 27 178.900 178.755 0.145
7378 17 . 1 1 27 27 R CA C 27 58.500 59.436 -0.936
7379 17 . 1 1 27 27 R CB C 27 29.700 29.999 -0.299
7380 17 . 1 1 27 27 R H H 27 8.080 7.999 0.081
7381 17 . 1 1 28 28 K N N 28 119.100 117.488 1.612
7382 17 . 1 1 28 28 K HA H 28 4.000 4.054 -0.054
7383 17 . 1 1 28 28 K C C 28 176.900 175.923 0.977
7384 17 . 1 1 28 28 K CA C 28 58.600 58.231 0.369
7385 17 . 1 1 28 28 K CB C 28 32.100 32.509 -0.409
7386 17 . 1 1 28 28 K H H 28 7.520 7.276 0.244
7387 17 . 1 1 29 29 F N N 29 114.500 116.976 -2.476
7388 17 . 1 1 29 29 F HA H 29 4.930 4.843 0.087
7389 17 . 1 1 29 29 F C C 29 173.600 175.892 -2.292
7390 17 . 1 1 29 29 F CA C 29 55.800 57.580 -1.780
7391 17 . 1 1 29 29 F CB C 29 39.000 41.669 -2.669
7392 17 . 1 1 29 29 F H H 29 7.010 8.003 -0.993
7393 17 . 1 1 30 30 A N N 30 121.600 122.604 -1.004
7394 17 . 1 1 30 30 A HA H 30 4.130 4.499 -0.369
7395 17 . 1 1 30 30 A C C 30 176.700 176.596 0.104
7396 17 . 1 1 30 30 A CA C 30 52.900 52.351 0.549
7397 17 . 1 1 30 30 A CB C 30 17.000 18.776 -1.776
7398 17 . 1 1 30 30 A H H 30 7.830 8.667 -0.837
7399 17 . 1 1 31 31 G N N 31 105.400 107.361 -1.961
7400 17 . 1 1 31 31 G C C 31 173.100 172.397 0.703
7401 17 . 1 1 31 31 G CA C 31 45.100 43.982 1.118
7402 17 . 1 1 31 31 G H H 31 7.950 8.115 -0.165
7403 17 . 1 1 32 32 T N N 32 115.700 116.098 -0.398
7404 17 . 1 1 32 32 T HA H 32 4.580 5.063 -0.483
7405 17 . 1 1 32 32 T C C 32 173.100 173.347 -0.247
7406 17 . 1 1 32 32 T CA C 32 61.900 61.487 0.413
7407 17 . 1 1 32 32 T CB C 32 70.500 71.645 -1.145
7408 17 . 1 1 32 32 T H H 32 8.220 8.790 -0.570
7409 17 . 1 1 33 33 V N N 33 125.300 127.147 -1.847
7410 17 . 1 1 33 33 V HA H 33 5.150 4.813 0.337
7411 17 . 1 1 33 33 V C C 33 175.300 175.166 0.134
7412 17 . 1 1 33 33 V CA C 33 60.800 61.393 -0.593
7413 17 . 1 1 33 33 V CB C 33 34.300 32.679 1.621
7414 17 . 1 1 33 33 V H H 33 8.610 9.012 -0.402
7415 17 . 1 1 34 34 T N N 34 120.200 122.502 -2.302
7416 17 . 1 1 34 34 T HA H 34 4.670 5.152 -0.482
7417 17 . 1 1 34 34 T CA C 34 60.200 60.309 -0.109
7418 17 . 1 1 34 34 T CB C 34 71.600 71.614 -0.014
7419 17 . 1 1 34 34 T H H 34 8.890 9.157 -0.267
7420 17 . 1 1 35 35 Y N N 35 118.100 121.769 -3.669
7421 17 . 1 1 35 35 Y HA H 35 5.720 6.048 -0.328
7422 17 . 1 1 35 35 Y C C 35 174.400 172.749 1.651
7423 17 . 1 1 35 35 Y CA C 35 56.200 56.105 0.095
7424 17 . 1 1 35 35 Y CB C 35 41.800 41.920 -0.120
7425 17 . 1 1 35 35 Y H H 35 8.360 8.713 -0.353
7426 17 . 1 1 36 36 T N N 36 115.200 115.421 -0.221
7427 17 . 1 1 36 36 T HA H 36 4.400 5.168 -0.768
7428 17 . 1 1 36 36 T CA C 36 60.200 59.811 0.389
7429 17 . 1 1 36 36 T CB C 36 71.800 71.594 0.206
7430 17 . 1 1 36 36 T H H 36 9.020 8.715 0.305
7431 17 . 1 1 37 37 L N N 37 129.300 128.469 0.831
7432 17 . 1 1 37 37 L HA H 37 5.020 5.283 -0.263
7433 17 . 1 1 37 37 L C C 37 174.900 175.793 -0.893
7434 17 . 1 1 37 37 L CA C 37 54.400 53.564 0.836
7435 17 . 1 1 37 37 L CB C 37 43.800 44.115 -0.315
7436 17 . 1 1 37 37 L H H 37 8.850 8.936 -0.086
7437 17 . 1 1 38 38 D N N 38 127.200 123.716 3.484
7438 17 . 1 1 38 38 D HA H 38 4.850 4.875 -0.025
7439 17 . 1 1 38 38 D CA C 38 53.000 52.954 0.046
7440 17 . 1 1 38 38 D CB C 38 42.300 42.162 0.138
7441 17 . 1 1 38 38 D H H 38 8.740 8.718 0.022
7442 17 . 1 1 39 39 G N N 39 114.000 116.103 -2.103
7443 17 . 1 1 39 39 G C C 39 174.000 174.710 -0.710
7444 17 . 1 1 39 39 G CA C 39 47.400 47.290 0.110
7445 17 . 1 1 39 39 G H H 39 8.700 8.987 -0.287
7446 17 . 1 1 40 40 N N N 40 124.400 123.698 0.702
7447 17 . 1 1 40 40 N HA H 40 5.070 4.801 0.269
7448 17 . 1 1 40 40 N C C 40 173.100 174.437 -1.337
7449 17 . 1 1 40 40 N CA C 40 53.200 52.513 0.687
7450 17 . 1 1 40 40 N CB C 40 39.300 38.615 0.685
7451 17 . 1 1 40 40 N H H 40 8.740 8.366 0.374
7452 17 . 1 1 41 41 D N N 41 118.500 120.048 -1.548
7453 17 . 1 1 41 41 D HA H 41 5.410 5.265 0.145
7454 17 . 1 1 41 41 D C C 41 173.600 175.143 -1.543
7455 17 . 1 1 41 41 D CA C 41 53.700 52.795 0.905
7456 17 . 1 1 41 41 D CB C 41 43.800 43.741 0.059
7457 17 . 1 1 41 41 D H H 41 7.980 7.962 0.018
7458 17 . 1 1 42 42 L N N 42 125.100 125.564 -0.464
7459 17 . 1 1 42 42 L HA H 42 4.960 5.061 -0.101
7460 17 . 1 1 42 42 L C C 42 173.600 174.855 -1.255
7461 17 . 1 1 42 42 L CA C 42 53.400 54.224 -0.824
7462 17 . 1 1 42 42 L CB C 42 43.700 44.693 -0.993
7463 17 . 1 1 42 42 L H H 42 8.520 9.078 -0.558
7464 17 . 1 1 43 43 E N N 43 127.800 126.329 1.471
7465 17 . 1 1 43 43 E HA H 43 5.280 4.804 0.476
7466 17 . 1 1 43 43 E C C 43 174.900 175.817 -0.917
7467 17 . 1 1 43 43 E CA C 43 54.500 56.122 -1.622
7468 17 . 1 1 43 43 E CB C 43 32.000 30.734 1.266
7469 17 . 1 1 43 43 E H H 43 8.990 8.872 0.118
7470 17 . 1 1 44 44 I N N 44 126.300 126.079 0.221
7471 17 . 1 1 44 44 I HA H 44 4.760 4.869 -0.109
7472 17 . 1 1 44 44 I C C 44 173.800 174.247 -0.447
7473 17 . 1 1 44 44 I CA C 44 60.000 60.573 -0.573
7474 17 . 1 1 44 44 I CB C 44 41.200 39.799 1.401
7475 17 . 1 1 44 44 I H H 44 9.590 9.368 0.222
7476 17 . 1 1 45 45 R N N 45 127.800 129.336 -1.536
7477 17 . 1 1 45 45 R HA H 45 5.250 5.175 0.075
7478 17 . 1 1 45 45 R C C 45 175.300 174.722 0.578
7479 17 . 1 1 45 45 R CA C 45 55.000 54.644 0.356
7480 17 . 1 1 45 45 R CB C 45 31.700 33.054 -1.354
7481 17 . 1 1 45 45 R H H 45 9.130 9.643 -0.513
7482 17 . 1 1 46 46 I N N 46 125.800 127.298 -1.498
7483 17 . 1 1 46 46 I HA H 46 5.150 4.844 0.306
7484 17 . 1 1 46 46 I C C 46 175.600 174.700 0.900
7485 17 . 1 1 46 46 I CA C 46 60.100 60.016 0.084
7486 17 . 1 1 46 46 I CB C 46 39.900 39.184 0.716
7487 17 . 1 1 46 46 I H H 46 9.180 9.278 -0.098
7488 17 . 1 1 47 47 T N N 47 118.800 122.485 -3.685
7489 17 . 1 1 47 47 T HA H 47 5.010 4.784 0.226
7490 17 . 1 1 47 47 T C C 47 174.300 175.411 -1.111
7491 17 . 1 1 47 47 T CA C 47 60.100 61.059 -0.959
7492 17 . 1 1 47 47 T CB C 47 70.900 69.839 1.061
7493 17 . 1 1 47 47 T H H 47 9.020 8.852 0.168
7494 17 . 1 1 48 48 G N N 48 109.000 114.488 -5.488
7495 17 . 1 1 48 48 G C C 48 174.700 173.814 0.886
7496 17 . 1 1 48 48 G CA C 48 46.200 46.346 -0.146
7497 17 . 1 1 48 48 G H H 48 8.350 8.750 -0.400
7498 17 . 1 1 49 49 V N N 49 114.200 113.802 0.398
7499 17 . 1 1 49 49 V HA H 49 4.260 4.830 -0.570
7500 17 . 1 1 49 49 V CA C 49 58.200 58.026 0.174
7501 17 . 1 1 49 49 V CB C 49 32.500 33.923 -1.423
7502 17 . 1 1 49 49 V H H 49 7.760 7.804 -0.044
7503 17 . 1 1 50 50 P HA H 50 4.580 4.611 -0.031
7504 17 . 1 1 50 50 P C C 50 177.200 177.335 -0.135
7505 17 . 1 1 50 50 P CA C 50 61.800 62.310 -0.510
7506 17 . 1 1 50 50 P CB C 50 32.500 32.662 -0.162
7507 17 . 1 1 51 51 E N N 51 123.400 122.754 0.646
7508 17 . 1 1 51 51 E HA H 51 4.000 3.900 0.100
7509 17 . 1 1 51 51 E C C 51 178.500 178.343 0.157
7510 17 . 1 1 51 51 E CA C 51 59.500 59.593 -0.093
7511 17 . 1 1 51 51 E CB C 51 29.300 29.343 -0.043
7512 17 . 1 1 51 51 E H H 51 8.890 9.045 -0.155
7513 17 . 1 1 52 52 Q N N 52 115.200 116.591 -1.391
7514 17 . 1 1 52 52 Q HA H 52 4.100 4.080 0.020
7515 17 . 1 1 52 52 Q C C 52 177.300 177.517 -0.217
7516 17 . 1 1 52 52 Q CA C 52 58.600 58.138 0.462
7517 17 . 1 1 52 52 Q CB C 52 27.700 27.662 0.038
7518 17 . 1 1 52 52 Q H H 52 8.910 8.499 0.411
7519 17 . 1 1 53 53 V N N 53 114.900 119.745 -4.845
7520 17 . 1 1 53 53 V HA H 53 4.120 3.651 0.469
7521 17 . 1 1 53 53 V C C 53 176.100 177.424 -1.324
7522 17 . 1 1 53 53 V CA C 53 62.100 65.534 -3.434
7523 17 . 1 1 53 53 V CB C 53 31.900 31.325 0.575
7524 17 . 1 1 53 53 V H H 53 7.080 7.317 -0.237
7525 17 . 1 1 54 54 R N N 54 121.500 120.284 1.216
7526 17 . 1 1 54 54 R HA H 54 3.620 3.896 -0.276
7527 17 . 1 1 54 54 R C C 54 177.100 178.699 -1.599
7528 17 . 1 1 54 54 R CA C 54 60.400 59.753 0.647
7529 17 . 1 1 54 54 R CB C 54 29.700 30.015 -0.315
7530 17 . 1 1 54 54 R H H 54 7.510 8.468 -0.958
7531 17 . 1 1 55 55 K N N 55 116.800 117.623 -0.823
7532 17 . 1 1 55 55 K HA H 55 3.890 4.021 -0.131
7533 17 . 1 1 55 55 K C C 55 176.000 179.516 -3.516
7534 17 . 1 1 55 55 K CA C 55 59.600 59.539 0.061
7535 17 . 1 1 55 55 K CB C 55 31.800 32.167 -0.367
7536 17 . 1 1 55 55 K H H 55 8.170 7.974 0.196
7537 17 . 1 1 56 56 E N N 56 120.200 120.270 -0.070
7538 17 . 1 1 56 56 E HA H 56 4.050 4.053 -0.003
7539 17 . 1 1 56 56 E CA C 56 59.100 59.271 -0.171
7540 17 . 1 1 56 56 E CB C 56 29.200 29.095 0.105
7541 17 . 1 1 56 56 E H H 56 7.600 7.684 -0.084
7542 17 . 1 1 57 57 L N N 57 120.200 121.058 -0.858
7543 17 . 1 1 57 57 L HA H 57 3.970 3.976 -0.006
7544 17 . 1 1 57 57 L C C 57 178.300 178.571 -0.271
7545 17 . 1 1 57 57 L CA C 57 57.700 57.743 -0.043
7546 17 . 1 1 57 57 L CB C 57 42.000 41.645 0.355
7547 17 . 1 1 57 57 L H H 57 7.980 8.119 -0.139
7548 17 . 1 1 58 58 A N N 58 120.600 121.706 -1.106
7549 17 . 1 1 58 58 A HA H 58 3.400 3.854 -0.454
7550 17 . 1 1 58 58 A C C 58 178.600 178.830 -0.230
7551 17 . 1 1 58 58 A CA C 58 55.200 55.442 -0.242
7552 17 . 1 1 58 58 A CB C 58 17.600 18.423 -0.823
7553 17 . 1 1 58 58 A H H 58 7.820 8.256 -0.436
7554 17 . 1 1 59 59 K N N 59 116.600 118.180 -1.580
7555 17 . 1 1 59 59 K HA H 59 3.990 3.827 0.163
7556 17 . 1 1 59 59 K C C 59 179.900 177.965 1.935
7557 17 . 1 1 59 59 K CA C 59 59.400 59.879 -0.479
7558 17 . 1 1 59 59 K CB C 59 32.000 32.294 -0.294
7559 17 . 1 1 59 59 K H H 59 7.630 7.746 -0.116
7560 17 . 1 1 60 60 E N N 60 120.700 118.631 2.069
7561 17 . 1 1 60 60 E HA H 60 4.390 4.122 0.268
7562 17 . 1 1 60 60 E C C 60 178.100 178.184 -0.084
7563 17 . 1 1 60 60 E CA C 60 58.100 59.094 -0.994
7564 17 . 1 1 60 60 E CB C 60 28.800 29.351 -0.551
7565 17 . 1 1 60 60 E H H 60 7.950 7.897 0.053
7566 17 . 1 1 61 61 A N N 61 122.400 122.263 0.137
7567 17 . 1 1 61 61 A HA H 61 4.160 4.282 -0.122
7568 17 . 1 1 61 61 A C C 61 179.100 180.145 -1.045
7569 17 . 1 1 61 61 A CA C 61 56.000 54.977 1.023
7570 17 . 1 1 61 61 A CB C 61 17.300 18.518 -1.218
7571 17 . 1 1 61 61 A H H 61 8.300 8.295 0.005
7572 17 . 1 1 62 62 E N N 62 115.600 118.085 -2.485
7573 17 . 1 1 62 62 E HA H 62 4.040 4.042 -0.002
7574 17 . 1 1 62 62 E C C 62 179.200 179.227 -0.027
7575 17 . 1 1 62 62 E CA C 62 59.200 59.582 -0.382
7576 17 . 1 1 62 62 E CB C 62 29.300 29.308 -0.008
7577 17 . 1 1 62 62 E H H 62 8.100 8.436 -0.336
7578 17 . 1 1 63 63 R N N 63 122.800 120.481 2.319
7579 17 . 1 1 63 63 R HA H 63 4.040 4.088 -0.048
7580 17 . 1 1 63 63 R C C 63 179.100 178.934 0.166
7581 17 . 1 1 63 63 R CA C 63 59.600 59.009 0.591
7582 17 . 1 1 63 63 R CB C 63 29.800 29.766 0.034
7583 17 . 1 1 63 63 R H H 63 8.250 7.687 0.563
7584 17 . 1 1 64 64 L N N 64 120.800 120.119 0.681
7585 17 . 1 1 64 64 L HA H 64 3.870 4.212 -0.342
7586 17 . 1 1 64 64 L C C 64 178.200 179.386 -1.186
7587 17 . 1 1 64 64 L CA C 64 57.500 58.111 -0.611
7588 17 . 1 1 64 64 L CB C 64 42.300 41.628 0.672
7589 17 . 1 1 64 64 L H H 64 8.460 8.036 0.424
7590 17 . 1 1 65 65 A N N 65 120.200 122.032 -1.832
7591 17 . 1 1 65 65 A HA H 65 4.050 4.274 -0.224
7592 17 . 1 1 65 65 A C C 65 179.500 180.098 -0.598
7593 17 . 1 1 65 65 A CA C 65 55.200 55.793 -0.593
7594 17 . 1 1 65 65 A CB C 65 17.900 18.681 -0.781
7595 17 . 1 1 65 65 A H H 65 8.190 8.643 -0.453
7596 17 . 1 1 66 66 K N N 66 116.500 117.843 -1.343
7597 17 . 1 1 66 66 K HA H 66 4.190 4.019 0.171
7598 17 . 1 1 66 66 K C C 66 178.800 179.219 -0.419
7599 17 . 1 1 66 66 K CA C 66 58.900 59.607 -0.707
7600 17 . 1 1 66 66 K CB C 66 32.300 32.268 0.032
7601 17 . 1 1 66 66 K H H 66 7.700 8.299 -0.599
7602 17 . 1 1 67 67 E N N 67 120.200 119.731 0.469
7603 17 . 1 1 67 67 E HA H 67 3.840 3.871 -0.031
7604 17 . 1 1 67 67 E C C 67 178.000 177.888 0.112
7605 17 . 1 1 67 67 E CA C 67 59.100 59.061 0.039
7606 17 . 1 1 67 67 E CB C 67 29.300 29.395 -0.095
7607 17 . 1 1 67 67 E H H 67 8.270 8.277 -0.007
7608 17 . 1 1 68 68 F N N 68 113.400 113.991 -0.591
7609 17 . 1 1 68 68 F HA H 68 4.760 4.516 0.244
7610 17 . 1 1 68 68 F C C 68 174.400 174.560 -0.160
7611 17 . 1 1 68 68 F CA C 68 56.300 58.008 -1.708
7612 17 . 1 1 68 68 F CB C 68 39.400 39.458 -0.058
7613 17 . 1 1 68 68 F H H 68 7.800 7.326 0.474
7614 17 . 1 1 69 69 N N N 69 118.200 113.700 4.500
7615 17 . 1 1 69 69 N HA H 69 4.510 4.352 0.158
7616 17 . 1 1 69 69 N CA C 69 54.200 54.587 -0.387
7617 17 . 1 1 69 69 N CB C 69 37.000 37.084 -0.084
7618 17 . 1 1 69 69 N H H 69 7.950 7.887 0.063
7619 17 . 1 1 70 70 I N N 70 113.900 115.203 -1.303
7620 17 . 1 1 70 70 I HA H 70 4.950 4.585 0.365
7621 17 . 1 1 70 70 I CA C 70 59.800 59.700 0.100
7622 17 . 1 1 70 70 I CB C 70 40.000 39.505 0.495
7623 17 . 1 1 70 70 I H H 70 8.480 7.775 0.705
7624 17 . 1 1 71 71 T N N 71 113.600 116.247 -2.647
7625 17 . 1 1 71 71 T HA H 71 4.820 5.041 -0.221
7626 17 . 1 1 71 71 T C C 71 173.500 174.027 -0.527
7627 17 . 1 1 71 71 T CA C 71 61.500 60.834 0.666
7628 17 . 1 1 71 71 T CB C 71 71.200 70.425 0.775
7629 17 . 1 1 71 71 T H H 71 8.520 8.840 -0.320
7630 17 . 1 1 72 72 V N N 72 122.600 121.673 0.927
7631 17 . 1 1 72 72 V HA H 72 5.330 5.166 0.164
7632 17 . 1 1 72 72 V C C 72 173.200 173.970 -0.770
7633 17 . 1 1 72 72 V CA C 72 59.200 60.393 -1.193
7634 17 . 1 1 72 72 V CB C 72 35.800 35.478 0.322
7635 17 . 1 1 72 72 V H H 72 8.720 8.665 0.055
7636 17 . 1 1 73 73 T N N 73 119.300 120.030 -0.730
7637 17 . 1 1 73 73 T HA H 73 4.410 5.318 -0.908
7638 17 . 1 1 73 73 T CA C 73 60.100 59.491 0.609
7639 17 . 1 1 73 73 T CB C 73 71.800 71.691 0.109
7640 17 . 1 1 73 73 T H H 73 8.430 8.416 0.014
7641 17 . 1 1 74 74 Y N N 74 118.100 119.237 -1.137
7642 17 . 1 1 74 74 Y HA H 74 5.530 6.150 -0.620
7643 17 . 1 1 74 74 Y CA C 74 55.900 55.448 0.452
7644 17 . 1 1 74 74 Y CB C 74 41.600 41.230 0.370
7645 17 . 1 1 74 74 Y H H 74 8.120 8.610 -0.490
7646 17 . 1 1 75 75 T N N 75 115.000 120.229 -5.229
7647 17 . 1 1 75 75 T HA H 75 4.590 4.898 -0.308
7648 17 . 1 1 75 75 T CA C 75 60.700 61.709 -1.009
7649 17 . 1 1 75 75 T CB C 75 71.700 69.912 1.788
7650 17 . 1 1 75 75 T H H 75 8.810 9.069 -0.259
7651 17 . 1 1 76 76 I N N 76 124.400 127.848 -3.448
7652 17 . 1 1 76 76 I HA H 76 4.800 5.011 -0.211
7653 17 . 1 1 76 76 I C C 76 175.300 175.292 0.008
7654 17 . 1 1 76 76 I CA C 76 59.900 59.534 0.366
7655 17 . 1 1 76 76 I CB C 76 39.500 40.544 -1.044
7656 17 . 1 1 76 76 I H H 76 8.650 9.238 -0.588
7657 17 . 1 1 77 77 R N N 77 125.900 124.217 1.683
7658 17 . 1 1 77 77 R HA H 77 4.570 5.084 -0.514
7659 17 . 1 1 77 77 R CA C 77 55.100 54.532 0.568
7660 17 . 1 1 77 77 R CB C 77 32.500 33.449 -0.949
7661 17 . 1 1 77 77 R H H 77 8.680 8.757 -0.077
7662 17 . 1 1 78 78 L N N 78 124.400 121.115 3.285
7663 17 . 1 1 78 78 L HA H 78 4.320 5.123 -0.803
7664 17 . 1 1 78 78 L C C 78 177.000 175.578 1.422
7665 17 . 1 1 78 78 L CA C 78 55.200 52.792 2.408
7666 17 . 1 1 78 78 L CB C 78 42.200 45.577 -3.377
7667 17 . 1 1 78 78 L H H 78 8.500 9.048 -0.548
7668 17 . 1 1 79 79 E N N 79 121.300 119.158 2.142
7669 17 . 1 1 79 79 E HA H 79 4.150 4.394 -0.244
7670 17 . 1 1 79 79 E C C 79 173.700 176.362 -2.662
7671 17 . 1 1 79 79 E CA C 79 55.400 55.836 -0.436
7672 17 . 1 1 79 79 E CB C 79 30.100 28.605 1.495
7673 17 . 1 1 79 79 E H H 79 8.310 8.388 -0.078
7674 17 . 1 1 80 80 H N N 80 125.300 122.193 3.107
7675 17 . 1 1 80 80 H HA H 80 4.580 4.429 0.151
7676 17 . 1 1 80 80 H CA C 80 57.100 55.690 1.410
7677 17 . 1 1 80 80 H CB C 80 30.300 30.135 0.165
7678 17 . 1 1 80 80 H H H 80 8.090 8.204 -0.114
7679 18 . 1 1 2 2 E N N 2 121.100 124.925 -3.825
7680 18 . 1 1 2 2 E HA H 2 5.260 5.305 -0.045
7681 18 . 1 1 2 2 E C C 2 174.300 175.479 -1.179
7682 18 . 1 1 2 2 E CA C 2 54.300 54.770 -0.470
7683 18 . 1 1 2 2 E CB C 2 32.400 33.890 -1.490
7684 18 . 1 1 2 2 E H H 2 8.720 8.709 0.011
7685 18 . 1 1 3 3 M N N 3 122.600 119.640 2.960
7686 18 . 1 1 3 3 M HA H 3 5.120 5.380 -0.260
7687 18 . 1 1 3 3 M C C 3 172.600 173.592 -0.992
7688 18 . 1 1 3 3 M CA C 3 54.600 53.644 0.956
7689 18 . 1 1 3 3 M CB C 3 37.000 34.798 2.202
7690 18 . 1 1 3 3 M H H 3 8.990 9.177 -0.187
7691 18 . 1 1 4 4 D N N 4 126.300 125.217 1.083
7692 18 . 1 1 4 4 D HA H 4 5.650 5.027 0.623
7693 18 . 1 1 4 4 D C C 4 175.000 175.093 -0.093
7694 18 . 1 1 4 4 D CA C 4 52.600 53.013 -0.413
7695 18 . 1 1 4 4 D CB C 4 41.800 42.284 -0.484
7696 18 . 1 1 4 4 D H H 4 8.810 9.434 -0.624
7697 18 . 1 1 5 5 I N N 5 124.600 127.040 -2.440
7698 18 . 1 1 5 5 I HA H 5 4.470 4.691 -0.221
7699 18 . 1 1 5 5 I C C 5 173.600 174.933 -1.333
7700 18 . 1 1 5 5 I CA C 5 60.500 60.509 -0.009
7701 18 . 1 1 5 5 I CB C 5 41.100 38.490 2.610
7702 18 . 1 1 5 5 I H H 5 9.520 9.527 -0.007
7703 18 . 1 1 6 6 R N N 6 127.500 127.819 -0.319
7704 18 . 1 1 6 6 R HA H 6 5.410 4.849 0.561
7705 18 . 1 1 6 6 R C C 6 175.300 174.649 0.651
7706 18 . 1 1 6 6 R CA C 6 54.400 55.145 -0.745
7707 18 . 1 1 6 6 R CB C 6 32.500 30.719 1.781
7708 18 . 1 1 6 6 R H H 6 8.970 8.987 -0.017
7709 18 . 1 1 7 7 F N N 7 125.400 124.339 1.061
7710 18 . 1 1 7 7 F HA H 7 5.720 4.960 0.760
7711 18 . 1 1 7 7 F C C 7 174.800 175.078 -0.278
7712 18 . 1 1 7 7 F CA C 7 56.000 57.232 -1.232
7713 18 . 1 1 7 7 F CB C 7 42.300 41.378 0.922
7714 18 . 1 1 7 7 F H H 7 9.530 9.305 0.225
7715 18 . 1 1 8 8 R N N 8 121.100 121.987 -0.887
7716 18 . 1 1 8 8 R HA H 8 5.700 5.273 0.427
7717 18 . 1 1 8 8 R C C 8 175.400 175.447 -0.047
7718 18 . 1 1 8 8 R CA C 8 54.500 54.997 -0.497
7719 18 . 1 1 8 8 R CB C 8 33.800 33.657 0.143
7720 18 . 1 1 8 8 R H H 8 8.770 9.287 -0.517
7721 18 . 1 1 9 9 G N N 9 111.500 112.665 -1.165
7722 18 . 1 1 9 9 G C C 9 171.200 174.093 -2.893
7723 18 . 1 1 9 9 G CA C 9 45.200 45.382 -0.182
7724 18 . 1 1 9 9 G H H 9 8.630 8.016 0.614
7725 18 . 1 1 10 10 D N N 10 117.300 120.511 -3.211
7726 18 . 1 1 10 10 D HA H 10 4.710 4.624 0.086
7727 18 . 1 1 10 10 D C C 10 175.300 176.014 -0.714
7728 18 . 1 1 10 10 D CA C 10 53.400 55.867 -2.467
7729 18 . 1 1 10 10 D CB C 10 41.400 41.787 -0.387
7730 18 . 1 1 10 10 D H H 10 8.230 8.902 -0.672
7731 18 . 1 1 11 11 D N N 11 119.000 119.476 -0.476
7732 18 . 1 1 11 11 D HA H 11 4.690 4.538 0.152
7733 18 . 1 1 11 11 D C C 11 175.500 176.569 -1.069
7734 18 . 1 1 11 11 D CA C 11 52.600 54.284 -1.684
7735 18 . 1 1 11 11 D CB C 11 41.500 41.207 0.293
7736 18 . 1 1 11 11 D H H 11 7.400 7.397 0.003
7737 18 . 1 1 12 12 L N N 12 125.800 127.851 -2.051
7738 18 . 1 1 12 12 L HA H 12 3.850 4.076 -0.226
7739 18 . 1 1 12 12 L C C 12 179.100 177.756 1.344
7740 18 . 1 1 12 12 L CA C 12 57.800 58.493 -0.693
7741 18 . 1 1 12 12 L CB C 12 41.700 41.075 0.625
7742 18 . 1 1 12 12 L H H 12 8.520 8.711 -0.191
7743 18 . 1 1 13 13 E N N 13 119.800 119.137 0.663
7744 18 . 1 1 13 13 E HA H 13 3.980 3.830 0.150
7745 18 . 1 1 13 13 E C C 13 178.600 178.076 0.524
7746 18 . 1 1 13 13 E CA C 13 59.300 59.610 -0.310
7747 18 . 1 1 13 13 E CB C 13 29.100 29.231 -0.131
7748 18 . 1 1 13 13 E H H 13 8.140 8.469 -0.329
7749 18 . 1 1 14 14 A N N 14 122.200 121.217 0.983
7750 18 . 1 1 14 14 A HA H 14 3.380 3.196 0.184
7751 18 . 1 1 14 14 A C C 14 179.300 178.940 0.360
7752 18 . 1 1 14 14 A CA C 14 54.400 54.279 0.121
7753 18 . 1 1 14 14 A CB C 14 18.700 17.820 0.880
7754 18 . 1 1 14 14 A H H 14 7.460 7.477 -0.017
7755 18 . 1 1 15 15 F N N 15 115.400 119.733 -4.333
7756 18 . 1 1 15 15 F HA H 15 3.850 3.844 0.006
7757 18 . 1 1 15 15 F C C 15 177.000 177.024 -0.024
7758 18 . 1 1 15 15 F CA C 15 57.700 61.410 -3.710
7759 18 . 1 1 15 15 F CB C 15 37.500 39.314 -1.814
7760 18 . 1 1 15 15 F H H 15 7.380 7.807 -0.427
7761 18 . 1 1 16 16 E N N 16 118.800 118.881 -0.081
7762 18 . 1 1 16 16 E HA H 16 3.660 3.185 0.475
7763 18 . 1 1 16 16 E C C 16 178.700 178.622 0.078
7764 18 . 1 1 16 16 E CA C 16 59.800 59.157 0.643
7765 18 . 1 1 16 16 E CB C 16 29.100 29.320 -0.220
7766 18 . 1 1 16 16 E H H 16 7.990 7.717 0.273
7767 18 . 1 1 17 17 K N N 17 118.200 119.453 -1.253
7768 18 . 1 1 17 17 K HA H 17 3.780 3.947 -0.167
7769 18 . 1 1 17 17 K C C 17 179.000 178.862 0.138
7770 18 . 1 1 17 17 K CA C 17 59.600 59.349 0.251
7771 18 . 1 1 17 17 K CB C 17 32.400 32.326 0.074
7772 18 . 1 1 17 17 K H H 17 7.550 7.892 -0.342
7773 18 . 1 1 18 18 A N N 18 122.400 122.041 0.359
7774 18 . 1 1 18 18 A HA H 18 3.890 3.897 -0.007
7775 18 . 1 1 18 18 A C C 18 178.900 179.593 -0.693
7776 18 . 1 1 18 18 A CA C 18 54.800 54.847 -0.047
7777 18 . 1 1 18 18 A CB C 18 17.100 17.515 -0.415
7778 18 . 1 1 18 18 A H H 18 8.060 7.686 0.374
7779 18 . 1 1 19 19 L N N 19 118.700 119.054 -0.354
7780 18 . 1 1 19 19 L HA H 19 3.690 3.896 -0.206
7781 18 . 1 1 19 19 L C C 19 177.700 177.962 -0.262
7782 18 . 1 1 19 19 L CA C 19 57.900 57.258 0.642
7783 18 . 1 1 19 19 L CB C 19 41.700 41.447 0.253
7784 18 . 1 1 19 19 L H H 19 8.280 7.293 0.987
7785 18 . 1 1 20 20 K N N 20 116.600 119.078 -2.478
7786 18 . 1 1 20 20 K HA H 20 3.780 3.805 -0.025
7787 18 . 1 1 20 20 K C C 20 179.700 178.883 0.817
7788 18 . 1 1 20 20 K CA C 20 60.000 59.769 0.231
7789 18 . 1 1 20 20 K CB C 20 32.400 32.237 0.163
7790 18 . 1 1 20 20 K H H 20 7.760 8.255 -0.495
7791 18 . 1 1 21 21 E N N 21 118.700 118.271 0.429
7792 18 . 1 1 21 21 E HA H 21 4.300 4.016 0.284
7793 18 . 1 1 21 21 E C C 21 178.500 179.708 -1.208
7794 18 . 1 1 21 21 E CA C 21 58.400 59.508 -1.108
7795 18 . 1 1 21 21 E CB C 21 29.100 29.587 -0.487
7796 18 . 1 1 21 21 E H H 21 7.750 8.175 -0.425
7797 18 . 1 1 22 22 M N N 22 119.100 119.377 -0.277
7798 18 . 1 1 22 22 M HA H 22 4.390 4.155 0.235
7799 18 . 1 1 22 22 M C C 22 178.800 178.791 0.009
7800 18 . 1 1 22 22 M CA C 22 57.300 58.613 -1.313
7801 18 . 1 1 22 22 M CB C 22 31.200 32.924 -1.724
7802 18 . 1 1 22 22 M H H 22 8.300 7.807 0.493
7803 18 . 1 1 23 23 I N N 23 120.200 119.385 0.815
7804 18 . 1 1 23 23 I HA H 23 3.550 3.654 -0.104
7805 18 . 1 1 23 23 I C C 23 177.600 177.910 -0.310
7806 18 . 1 1 23 23 I CA C 23 66.100 64.917 1.183
7807 18 . 1 1 23 23 I CB C 23 37.700 36.996 0.704
7808 18 . 1 1 23 23 I H H 23 8.460 7.865 0.595
7809 18 . 1 1 24 24 R N N 24 120.200 121.033 -0.833
7810 18 . 1 1 24 24 R HA H 24 3.890 3.865 0.025
7811 18 . 1 1 24 24 R C C 24 179.400 178.959 0.441
7812 18 . 1 1 24 24 R CA C 24 59.900 60.034 -0.134
7813 18 . 1 1 24 24 R CB C 24 30.200 30.090 0.110
7814 18 . 1 1 24 24 R H H 24 7.720 8.312 -0.592
7815 18 . 1 1 25 25 Q N N 25 117.100 118.328 -1.228
7816 18 . 1 1 25 25 Q HA H 25 3.930 4.068 -0.138
7817 18 . 1 1 25 25 Q C C 25 177.600 178.651 -1.051
7818 18 . 1 1 25 25 Q CA C 25 58.000 58.698 -0.698
7819 18 . 1 1 25 25 Q CB C 25 27.800 28.417 -0.617
7820 18 . 1 1 25 25 Q H H 25 8.190 8.133 0.057
7821 18 . 1 1 26 26 A N N 26 120.300 122.602 -2.302
7822 18 . 1 1 26 26 A HA H 26 3.690 4.296 -0.606
7823 18 . 1 1 26 26 A C C 26 179.400 180.121 -0.721
7824 18 . 1 1 26 26 A CA C 26 54.200 55.181 -0.981
7825 18 . 1 1 26 26 A CB C 26 18.300 18.548 -0.248
7826 18 . 1 1 26 26 A H H 26 8.240 8.383 -0.143
7827 18 . 1 1 27 27 R N N 27 117.500 117.656 -0.156
7828 18 . 1 1 27 27 R HA H 27 4.070 4.095 -0.025
7829 18 . 1 1 27 27 R C C 27 178.900 177.893 1.007
7830 18 . 1 1 27 27 R CA C 27 58.500 59.486 -0.986
7831 18 . 1 1 27 27 R CB C 27 29.700 30.043 -0.343
7832 18 . 1 1 27 27 R H H 27 8.080 8.073 0.007
7833 18 . 1 1 28 28 K N N 28 119.100 116.991 2.109
7834 18 . 1 1 28 28 K HA H 28 4.000 4.068 -0.068
7835 18 . 1 1 28 28 K C C 28 176.900 175.732 1.168
7836 18 . 1 1 28 28 K CA C 28 58.600 57.458 1.142
7837 18 . 1 1 28 28 K CB C 28 32.100 32.514 -0.414
7838 18 . 1 1 28 28 K H H 28 7.520 7.489 0.031
7839 18 . 1 1 29 29 F N N 29 114.500 117.980 -3.480
7840 18 . 1 1 29 29 F HA H 29 4.930 4.933 -0.003
7841 18 . 1 1 29 29 F C C 29 173.600 175.747 -2.147
7842 18 . 1 1 29 29 F CA C 29 55.800 56.662 -0.862
7843 18 . 1 1 29 29 F CB C 29 39.000 42.747 -3.747
7844 18 . 1 1 29 29 F H H 29 7.010 7.922 -0.912
7845 18 . 1 1 30 30 A N N 30 121.600 123.012 -1.412
7846 18 . 1 1 30 30 A HA H 30 4.130 4.443 -0.313
7847 18 . 1 1 30 30 A C C 30 176.700 177.330 -0.630
7848 18 . 1 1 30 30 A CA C 30 52.900 52.308 0.592
7849 18 . 1 1 30 30 A CB C 30 17.000 18.593 -1.593
7850 18 . 1 1 30 30 A H H 30 7.830 8.696 -0.866
7851 18 . 1 1 31 31 G N N 31 105.400 106.990 -1.590
7852 18 . 1 1 31 31 G C C 31 173.100 172.870 0.230
7853 18 . 1 1 31 31 G CA C 31 45.100 45.007 0.093
7854 18 . 1 1 31 31 G H H 31 7.950 8.180 -0.230
7855 18 . 1 1 32 32 T N N 32 115.700 120.881 -5.181
7856 18 . 1 1 32 32 T HA H 32 4.580 4.991 -0.411
7857 18 . 1 1 32 32 T C C 32 173.100 174.271 -1.171
7858 18 . 1 1 32 32 T CA C 32 61.900 61.702 0.198
7859 18 . 1 1 32 32 T CB C 32 70.500 69.676 0.824
7860 18 . 1 1 32 32 T H H 32 8.220 9.701 -1.481
7861 18 . 1 1 33 33 V N N 33 125.300 128.390 -3.090
7862 18 . 1 1 33 33 V HA H 33 5.150 4.782 0.368
7863 18 . 1 1 33 33 V C C 33 175.300 174.857 0.443
7864 18 . 1 1 33 33 V CA C 33 60.800 61.063 -0.263
7865 18 . 1 1 33 33 V CB C 33 34.300 33.265 1.035
7866 18 . 1 1 33 33 V H H 33 8.610 9.023 -0.413
7867 18 . 1 1 34 34 T N N 34 120.200 121.584 -1.384
7868 18 . 1 1 34 34 T HA H 34 4.670 5.235 -0.565
7869 18 . 1 1 34 34 T CA C 34 60.200 59.661 0.539
7870 18 . 1 1 34 34 T CB C 34 71.600 72.110 -0.510
7871 18 . 1 1 34 34 T H H 34 8.890 8.732 0.158
7872 18 . 1 1 35 35 Y N N 35 118.100 120.111 -2.011
7873 18 . 1 1 35 35 Y HA H 35 5.720 6.046 -0.326
7874 18 . 1 1 35 35 Y C C 35 174.400 172.729 1.671
7875 18 . 1 1 35 35 Y CA C 35 56.200 56.110 0.090
7876 18 . 1 1 35 35 Y CB C 35 41.800 42.036 -0.236
7877 18 . 1 1 35 35 Y H H 35 8.360 8.802 -0.442
7878 18 . 1 1 36 36 T N N 36 115.200 115.466 -0.266
7879 18 . 1 1 36 36 T HA H 36 4.400 5.071 -0.671
7880 18 . 1 1 36 36 T CA C 36 60.200 60.109 0.091
7881 18 . 1 1 36 36 T CB C 36 71.800 71.318 0.482
7882 18 . 1 1 36 36 T H H 36 9.020 8.813 0.207
7883 18 . 1 1 37 37 L N N 37 129.300 129.297 0.003
7884 18 . 1 1 37 37 L HA H 37 5.020 5.143 -0.123
7885 18 . 1 1 37 37 L C C 37 174.900 175.585 -0.685
7886 18 . 1 1 37 37 L CA C 37 54.400 53.475 0.925
7887 18 . 1 1 37 37 L CB C 37 43.800 44.177 -0.377
7888 18 . 1 1 37 37 L H H 37 8.850 8.994 -0.144
7889 18 . 1 1 38 38 D N N 38 127.200 124.192 3.008
7890 18 . 1 1 38 38 D HA H 38 4.850 4.852 -0.002
7891 18 . 1 1 38 38 D CA C 38 53.000 52.597 0.403
7892 18 . 1 1 38 38 D CB C 38 42.300 41.250 1.050
7893 18 . 1 1 38 38 D H H 38 8.740 8.772 -0.032
7894 18 . 1 1 39 39 G N N 39 114.000 115.504 -1.504
7895 18 . 1 1 39 39 G C C 39 174.000 174.963 -0.963
7896 18 . 1 1 39 39 G CA C 39 47.400 47.291 0.109
7897 18 . 1 1 39 39 G H H 39 8.700 8.926 -0.226
7898 18 . 1 1 40 40 N N N 40 124.400 124.529 -0.129
7899 18 . 1 1 40 40 N HA H 40 5.070 4.774 0.296
7900 18 . 1 1 40 40 N C C 40 173.100 175.164 -2.064
7901 18 . 1 1 40 40 N CA C 40 53.200 53.581 -0.381
7902 18 . 1 1 40 40 N CB C 40 39.300 39.150 0.150
7903 18 . 1 1 40 40 N H H 40 8.740 8.578 0.162
7904 18 . 1 1 41 41 D N N 41 118.500 118.315 0.185
7905 18 . 1 1 41 41 D HA H 41 5.410 5.033 0.377
7906 18 . 1 1 41 41 D C C 41 173.600 175.765 -2.165
7907 18 . 1 1 41 41 D CA C 41 53.700 53.424 0.276
7908 18 . 1 1 41 41 D CB C 41 43.800 42.522 1.278
7909 18 . 1 1 41 41 D H H 41 7.980 8.063 -0.083
7910 18 . 1 1 42 42 L N N 42 125.100 124.604 0.496
7911 18 . 1 1 42 42 L HA H 42 4.960 4.995 -0.035
7912 18 . 1 1 42 42 L C C 42 173.600 174.556 -0.956
7913 18 . 1 1 42 42 L CA C 42 53.400 54.241 -0.841
7914 18 . 1 1 42 42 L CB C 42 43.700 45.020 -1.320
7915 18 . 1 1 42 42 L H H 42 8.520 9.203 -0.683
7916 18 . 1 1 43 43 E N N 43 127.800 127.724 0.076
7917 18 . 1 1 43 43 E HA H 43 5.280 4.849 0.431
7918 18 . 1 1 43 43 E C C 43 174.900 175.640 -0.740
7919 18 . 1 1 43 43 E CA C 43 54.500 55.657 -1.157
7920 18 . 1 1 43 43 E CB C 43 32.000 31.024 0.976
7921 18 . 1 1 43 43 E H H 43 8.990 9.198 -0.208
7922 18 . 1 1 44 44 I N N 44 126.300 129.352 -3.052
7923 18 . 1 1 44 44 I HA H 44 4.760 5.057 -0.297
7924 18 . 1 1 44 44 I C C 44 173.800 174.224 -0.424
7925 18 . 1 1 44 44 I CA C 44 60.000 60.497 -0.497
7926 18 . 1 1 44 44 I CB C 44 41.200 39.754 1.446
7927 18 . 1 1 44 44 I H H 44 9.590 9.384 0.206
7928 18 . 1 1 45 45 R N N 45 127.800 129.279 -1.479
7929 18 . 1 1 45 45 R HA H 45 5.250 5.099 0.151
7930 18 . 1 1 45 45 R C C 45 175.300 174.835 0.465
7931 18 . 1 1 45 45 R CA C 45 55.000 54.996 0.004
7932 18 . 1 1 45 45 R CB C 45 31.700 32.766 -1.066
7933 18 . 1 1 45 45 R H H 45 9.130 9.282 -0.152
7934 18 . 1 1 46 46 I N N 46 125.800 129.154 -3.354
7935 18 . 1 1 46 46 I HA H 46 5.150 5.017 0.133
7936 18 . 1 1 46 46 I C C 46 175.600 175.237 0.363
7937 18 . 1 1 46 46 I CA C 46 60.100 60.258 -0.158
7938 18 . 1 1 46 46 I CB C 46 39.900 39.219 0.681
7939 18 . 1 1 46 46 I H H 46 9.180 9.254 -0.074
7940 18 . 1 1 47 47 T N N 47 118.800 120.686 -1.886
7941 18 . 1 1 47 47 T HA H 47 5.010 4.815 0.195
7942 18 . 1 1 47 47 T C C 47 174.300 175.274 -0.974
7943 18 . 1 1 47 47 T CA C 47 60.100 60.949 -0.849
7944 18 . 1 1 47 47 T CB C 47 70.900 71.512 -0.612
7945 18 . 1 1 47 47 T H H 47 9.020 8.843 0.177
7946 18 . 1 1 48 48 G N N 48 109.000 114.476 -5.476
7947 18 . 1 1 48 48 G C C 48 174.700 174.714 -0.014
7948 18 . 1 1 48 48 G CA C 48 46.200 45.002 1.198
7949 18 . 1 1 48 48 G H H 48 8.350 8.545 -0.195
7950 18 . 1 1 49 49 V N N 49 114.200 119.501 -5.301
7951 18 . 1 1 49 49 V HA H 49 4.260 4.164 0.096
7952 18 . 1 1 49 49 V CA C 49 58.200 60.696 -2.496
7953 18 . 1 1 49 49 V CB C 49 32.500 31.001 1.499
7954 18 . 1 1 49 49 V H H 49 7.760 7.709 0.051
7955 18 . 1 1 50 50 P HA H 50 4.580 4.504 0.076
7956 18 . 1 1 50 50 P C C 50 177.200 177.856 -0.656
7957 18 . 1 1 50 50 P CA C 50 61.800 62.472 -0.672
7958 18 . 1 1 50 50 P CB C 50 32.500 32.661 -0.161
7959 18 . 1 1 51 51 E N N 51 123.400 122.884 0.516
7960 18 . 1 1 51 51 E HA H 51 4.000 4.059 -0.059
7961 18 . 1 1 51 51 E C C 51 178.500 178.726 -0.226
7962 18 . 1 1 51 51 E CA C 51 59.500 59.586 -0.086
7963 18 . 1 1 51 51 E CB C 51 29.300 29.080 0.220
7964 18 . 1 1 51 51 E H H 51 8.890 8.714 0.176
7965 18 . 1 1 52 52 Q N N 52 115.200 118.241 -3.041
7966 18 . 1 1 52 52 Q HA H 52 4.100 4.048 0.052
7967 18 . 1 1 52 52 Q C C 52 177.300 177.854 -0.554
7968 18 . 1 1 52 52 Q CA C 52 58.600 58.489 0.111
7969 18 . 1 1 52 52 Q CB C 52 27.700 27.934 -0.234
7970 18 . 1 1 52 52 Q H H 52 8.910 8.296 0.614
7971 18 . 1 1 53 53 V N N 53 114.900 120.823 -5.923
7972 18 . 1 1 53 53 V HA H 53 4.120 3.527 0.593
7973 18 . 1 1 53 53 V C C 53 176.100 177.420 -1.320
7974 18 . 1 1 53 53 V CA C 53 62.100 66.466 -4.366
7975 18 . 1 1 53 53 V CB C 53 31.900 30.764 1.136
7976 18 . 1 1 53 53 V H H 53 7.080 7.437 -0.357
7977 18 . 1 1 54 54 R N N 54 121.500 120.300 1.200
7978 18 . 1 1 54 54 R HA H 54 3.620 3.865 -0.245
7979 18 . 1 1 54 54 R C C 54 177.100 178.715 -1.615
7980 18 . 1 1 54 54 R CA C 54 60.400 59.792 0.608
7981 18 . 1 1 54 54 R CB C 54 29.700 29.976 -0.276
7982 18 . 1 1 54 54 R H H 54 7.510 7.751 -0.241
7983 18 . 1 1 55 55 K N N 55 116.800 117.748 -0.948
7984 18 . 1 1 55 55 K HA H 55 3.890 3.976 -0.086
7985 18 . 1 1 55 55 K C C 55 176.000 179.687 -3.687
7986 18 . 1 1 55 55 K CA C 55 59.600 59.770 -0.170
7987 18 . 1 1 55 55 K CB C 55 31.800 32.025 -0.225
7988 18 . 1 1 55 55 K H H 55 8.170 8.120 0.050
7989 18 . 1 1 56 56 E N N 56 120.200 120.328 -0.128
7990 18 . 1 1 56 56 E HA H 56 4.050 4.058 -0.008
7991 18 . 1 1 56 56 E CA C 56 59.100 58.940 0.160
7992 18 . 1 1 56 56 E CB C 56 29.200 29.510 -0.310
7993 18 . 1 1 56 56 E H H 56 7.600 7.925 -0.325
7994 18 . 1 1 57 57 L N N 57 120.200 119.713 0.487
7995 18 . 1 1 57 57 L HA H 57 3.970 4.044 -0.074
7996 18 . 1 1 57 57 L C C 57 178.300 178.925 -0.625
7997 18 . 1 1 57 57 L CA C 57 57.700 57.804 -0.104
7998 18 . 1 1 57 57 L CB C 57 42.000 41.104 0.896
7999 18 . 1 1 57 57 L H H 57 7.980 8.340 -0.360
8000 18 . 1 1 58 58 A N N 58 120.600 121.912 -1.312
8001 18 . 1 1 58 58 A HA H 58 3.400 3.910 -0.510
8002 18 . 1 1 58 58 A C C 58 178.600 178.795 -0.195
8003 18 . 1 1 58 58 A CA C 58 55.200 55.428 -0.228
8004 18 . 1 1 58 58 A CB C 58 17.600 19.560 -1.960
8005 18 . 1 1 58 58 A H H 58 7.820 7.887 -0.067
8006 18 . 1 1 59 59 K N N 59 116.600 118.318 -1.718
8007 18 . 1 1 59 59 K HA H 59 3.990 3.860 0.130
8008 18 . 1 1 59 59 K C C 59 179.900 178.861 1.039
8009 18 . 1 1 59 59 K CA C 59 59.400 59.780 -0.380
8010 18 . 1 1 59 59 K CB C 59 32.000 32.462 -0.462
8011 18 . 1 1 59 59 K H H 59 7.630 7.564 0.066
8012 18 . 1 1 60 60 E N N 60 120.700 118.966 1.734
8013 18 . 1 1 60 60 E HA H 60 4.390 4.074 0.316
8014 18 . 1 1 60 60 E C C 60 178.100 179.401 -1.301
8015 18 . 1 1 60 60 E CA C 60 58.100 59.364 -1.264
8016 18 . 1 1 60 60 E CB C 60 28.800 29.745 -0.945
8017 18 . 1 1 60 60 E H H 60 7.950 8.534 -0.584
8018 18 . 1 1 61 61 A N N 61 122.400 122.832 -0.432
8019 18 . 1 1 61 61 A HA H 61 4.160 4.311 -0.151
8020 18 . 1 1 61 61 A C C 61 179.100 180.043 -0.943
8021 18 . 1 1 61 61 A CA C 61 56.000 55.012 0.988
8022 18 . 1 1 61 61 A CB C 61 17.300 18.480 -1.180
8023 18 . 1 1 61 61 A H H 61 8.300 8.499 -0.199
8024 18 . 1 1 62 62 E N N 62 115.600 117.821 -2.221
8025 18 . 1 1 62 62 E HA H 62 4.040 4.044 -0.004
8026 18 . 1 1 62 62 E C C 62 179.200 179.361 -0.161
8027 18 . 1 1 62 62 E CA C 62 59.200 59.540 -0.340
8028 18 . 1 1 62 62 E CB C 62 29.300 29.594 -0.294
8029 18 . 1 1 62 62 E H H 62 8.100 7.888 0.212
8030 18 . 1 1 63 63 R N N 63 122.800 120.519 2.281
8031 18 . 1 1 63 63 R HA H 63 4.040 4.245 -0.205
8032 18 . 1 1 63 63 R C C 63 179.100 179.028 0.072
8033 18 . 1 1 63 63 R CA C 63 59.600 58.613 0.987
8034 18 . 1 1 63 63 R CB C 63 29.800 29.912 -0.112
8035 18 . 1 1 63 63 R H H 63 8.250 7.773 0.477
8036 18 . 1 1 64 64 L N N 64 120.800 120.170 0.630
8037 18 . 1 1 64 64 L HA H 64 3.870 4.050 -0.180
8038 18 . 1 1 64 64 L C C 64 178.200 179.157 -0.957
8039 18 . 1 1 64 64 L CA C 64 57.500 58.008 -0.508
8040 18 . 1 1 64 64 L CB C 64 42.300 41.689 0.611
8041 18 . 1 1 64 64 L H H 64 8.460 8.619 -0.159
8042 18 . 1 1 65 65 A N N 65 120.200 121.907 -1.707
8043 18 . 1 1 65 65 A HA H 65 4.050 4.264 -0.214
8044 18 . 1 1 65 65 A C C 65 179.500 180.073 -0.573
8045 18 . 1 1 65 65 A CA C 65 55.200 55.934 -0.734
8046 18 . 1 1 65 65 A CB C 65 17.900 18.526 -0.626
8047 18 . 1 1 65 65 A H H 65 8.190 8.531 -0.341
8048 18 . 1 1 66 66 K N N 66 116.500 117.442 -0.942
8049 18 . 1 1 66 66 K HA H 66 4.190 4.047 0.143
8050 18 . 1 1 66 66 K C C 66 178.800 179.203 -0.403
8051 18 . 1 1 66 66 K CA C 66 58.900 59.281 -0.381
8052 18 . 1 1 66 66 K CB C 66 32.300 31.929 0.371
8053 18 . 1 1 66 66 K H H 66 7.700 8.145 -0.445
8054 18 . 1 1 67 67 E N N 67 120.200 119.638 0.562
8055 18 . 1 1 67 67 E HA H 67 3.840 3.960 -0.120
8056 18 . 1 1 67 67 E C C 67 178.000 177.967 0.033
8057 18 . 1 1 67 67 E CA C 67 59.100 59.247 -0.147
8058 18 . 1 1 67 67 E CB C 67 29.300 29.516 -0.216
8059 18 . 1 1 67 67 E H H 67 8.270 8.066 0.204
8060 18 . 1 1 68 68 F N N 68 113.400 114.362 -0.962
8061 18 . 1 1 68 68 F HA H 68 4.760 4.547 0.213
8062 18 . 1 1 68 68 F C C 68 174.400 174.928 -0.528
8063 18 . 1 1 68 68 F CA C 68 56.300 57.882 -1.582
8064 18 . 1 1 68 68 F CB C 68 39.400 39.470 -0.070
8065 18 . 1 1 68 68 F H H 68 7.800 7.379 0.421
8066 18 . 1 1 69 69 N N N 69 118.200 118.519 -0.319
8067 18 . 1 1 69 69 N HA H 69 4.510 4.443 0.067
8068 18 . 1 1 69 69 N CA C 69 54.200 53.984 0.216
8069 18 . 1 1 69 69 N CB C 69 37.000 37.140 -0.140
8070 18 . 1 1 69 69 N H H 69 7.950 8.000 -0.050
8071 18 . 1 1 70 70 I N N 70 113.900 114.527 -0.627
8072 18 . 1 1 70 70 I HA H 70 4.950 4.978 -0.028
8073 18 . 1 1 70 70 I CA C 70 59.800 58.899 0.901
8074 18 . 1 1 70 70 I CB C 70 40.000 41.780 -1.780
8075 18 . 1 1 70 70 I H H 70 8.480 7.912 0.568
8076 18 . 1 1 71 71 T N N 71 113.600 118.352 -4.752
8077 18 . 1 1 71 71 T HA H 71 4.820 5.016 -0.196
8078 18 . 1 1 71 71 T C C 71 173.500 173.680 -0.180
8079 18 . 1 1 71 71 T CA C 71 61.500 62.166 -0.666
8080 18 . 1 1 71 71 T CB C 71 71.200 70.581 0.619
8081 18 . 1 1 71 71 T H H 71 8.520 8.674 -0.154
8082 18 . 1 1 72 72 V N N 72 122.600 124.436 -1.836
8083 18 . 1 1 72 72 V HA H 72 5.330 4.997 0.333
8084 18 . 1 1 72 72 V C C 72 173.200 174.003 -0.803
8085 18 . 1 1 72 72 V CA C 72 59.200 60.221 -1.021
8086 18 . 1 1 72 72 V CB C 72 35.800 35.507 0.293
8087 18 . 1 1 72 72 V H H 72 8.720 8.644 0.076
8088 18 . 1 1 73 73 T N N 73 119.300 118.959 0.341
8089 18 . 1 1 73 73 T HA H 73 4.410 5.225 -0.815
8090 18 . 1 1 73 73 T CA C 73 60.100 59.252 0.848
8091 18 . 1 1 73 73 T CB C 73 71.800 72.266 -0.466
8092 18 . 1 1 73 73 T H H 73 8.430 8.735 -0.305
8093 18 . 1 1 74 74 Y N N 74 118.100 117.798 0.302
8094 18 . 1 1 74 74 Y HA H 74 5.530 5.557 -0.027
8095 18 . 1 1 74 74 Y CA C 74 55.900 55.643 0.257
8096 18 . 1 1 74 74 Y CB C 74 41.600 41.297 0.303
8097 18 . 1 1 74 74 Y H H 74 8.120 8.569 -0.449
8098 18 . 1 1 75 75 T N N 75 115.000 120.193 -5.193
8099 18 . 1 1 75 75 T HA H 75 4.590 4.786 -0.196
8100 18 . 1 1 75 75 T CA C 75 60.700 62.423 -1.723
8101 18 . 1 1 75 75 T CB C 75 71.700 68.832 2.868
8102 18 . 1 1 75 75 T H H 75 8.810 9.093 -0.283
8103 18 . 1 1 76 76 I N N 76 124.400 128.031 -3.631
8104 18 . 1 1 76 76 I HA H 76 4.800 4.720 0.080
8105 18 . 1 1 76 76 I C C 76 175.300 174.988 0.312
8106 18 . 1 1 76 76 I CA C 76 59.900 60.039 -0.139
8107 18 . 1 1 76 76 I CB C 76 39.500 40.380 -0.880
8108 18 . 1 1 76 76 I H H 76 8.650 9.141 -0.491
8109 18 . 1 1 77 77 R N N 77 125.900 127.553 -1.653
8110 18 . 1 1 77 77 R HA H 77 4.570 4.851 -0.281
8111 18 . 1 1 77 77 R CA C 77 55.100 55.384 -0.284
8112 18 . 1 1 77 77 R CB C 77 32.500 30.724 1.776
8113 18 . 1 1 77 77 R H H 77 8.680 8.806 -0.126
8114 18 . 1 1 78 78 L N N 78 124.400 126.538 -2.138
8115 18 . 1 1 78 78 L HA H 78 4.320 4.848 -0.528
8116 18 . 1 1 78 78 L C C 78 177.000 175.577 1.423
8117 18 . 1 1 78 78 L CA C 78 55.200 54.424 0.776
8118 18 . 1 1 78 78 L CB C 78 42.200 45.252 -3.052
8119 18 . 1 1 78 78 L H H 78 8.500 8.741 -0.241
8120 18 . 1 1 79 79 E N N 79 121.300 124.891 -3.591
8121 18 . 1 1 79 79 E HA H 79 4.150 4.448 -0.298
8122 18 . 1 1 79 79 E C C 79 173.700 176.207 -2.507
8123 18 . 1 1 79 79 E CA C 79 55.400 56.554 -1.154
8124 18 . 1 1 79 79 E CB C 79 30.100 30.306 -0.206
8125 18 . 1 1 79 79 E H H 79 8.310 8.677 -0.367
8126 18 . 1 1 80 80 H N N 80 125.300 122.321 2.979
8127 18 . 1 1 80 80 H HA H 80 4.580 5.198 -0.618
8128 18 . 1 1 80 80 H CA C 80 57.100 53.705 3.395
8129 18 . 1 1 80 80 H CB C 80 30.300 30.615 -0.315
8130 18 . 1 1 80 80 H H H 80 8.090 8.839 -0.749
8131 19 . 1 1 2 2 E N N 2 121.100 124.352 -3.252
8132 19 . 1 1 2 2 E HA H 2 5.260 5.129 0.131
8133 19 . 1 1 2 2 E C C 2 174.300 175.118 -0.818
8134 19 . 1 1 2 2 E CA C 2 54.300 54.992 -0.692
8135 19 . 1 1 2 2 E CB C 2 32.400 33.145 -0.745
8136 19 . 1 1 2 2 E H H 2 8.720 9.179 -0.459
8137 19 . 1 1 3 3 M N N 3 122.600 123.207 -0.607
8138 19 . 1 1 3 3 M HA H 3 5.120 5.210 -0.090
8139 19 . 1 1 3 3 M C C 3 172.600 174.125 -1.525
8140 19 . 1 1 3 3 M CA C 3 54.600 54.125 0.475
8141 19 . 1 1 3 3 M CB C 3 37.000 34.890 2.110
8142 19 . 1 1 3 3 M H H 3 8.990 8.903 0.087
8143 19 . 1 1 4 4 D N N 4 126.300 126.805 -0.505
8144 19 . 1 1 4 4 D HA H 4 5.650 5.180 0.470
8145 19 . 1 1 4 4 D C C 4 175.000 175.279 -0.279
8146 19 . 1 1 4 4 D CA C 4 52.600 54.037 -1.437
8147 19 . 1 1 4 4 D CB C 4 41.800 41.279 0.521
8148 19 . 1 1 4 4 D H H 4 8.810 9.317 -0.507
8149 19 . 1 1 5 5 I N N 5 124.600 125.732 -1.132
8150 19 . 1 1 5 5 I HA H 5 4.470 4.717 -0.247
8151 19 . 1 1 5 5 I C C 5 173.600 174.982 -1.382
8152 19 . 1 1 5 5 I CA C 5 60.500 60.337 0.163
8153 19 . 1 1 5 5 I CB C 5 41.100 38.792 2.308
8154 19 . 1 1 5 5 I H H 5 9.520 9.368 0.152
8155 19 . 1 1 6 6 R N N 6 127.500 127.563 -0.063
8156 19 . 1 1 6 6 R HA H 6 5.410 5.008 0.402
8157 19 . 1 1 6 6 R C C 6 175.300 174.718 0.582
8158 19 . 1 1 6 6 R CA C 6 54.400 55.094 -0.694
8159 19 . 1 1 6 6 R CB C 6 32.500 30.710 1.790
8160 19 . 1 1 6 6 R H H 6 8.970 9.323 -0.353
8161 19 . 1 1 7 7 F N N 7 125.400 124.602 0.798
8162 19 . 1 1 7 7 F HA H 7 5.720 4.962 0.758
8163 19 . 1 1 7 7 F C C 7 174.800 175.005 -0.205
8164 19 . 1 1 7 7 F CA C 7 56.000 57.850 -1.850
8165 19 . 1 1 7 7 F CB C 7 42.300 40.933 1.367
8166 19 . 1 1 7 7 F H H 7 9.530 9.050 0.480
8167 19 . 1 1 8 8 R N N 8 121.100 122.903 -1.803
8168 19 . 1 1 8 8 R HA H 8 5.700 5.356 0.344
8169 19 . 1 1 8 8 R C C 8 175.400 175.527 -0.127
8170 19 . 1 1 8 8 R CA C 8 54.500 54.879 -0.379
8171 19 . 1 1 8 8 R CB C 8 33.800 33.718 0.082
8172 19 . 1 1 8 8 R H H 8 8.770 9.408 -0.638
8173 19 . 1 1 9 9 G N N 9 111.500 112.699 -1.199
8174 19 . 1 1 9 9 G C C 9 171.200 173.720 -2.520
8175 19 . 1 1 9 9 G CA C 9 45.200 45.609 -0.409
8176 19 . 1 1 9 9 G H H 9 8.630 8.144 0.486
8177 19 . 1 1 10 10 D N N 10 117.300 120.183 -2.883
8178 19 . 1 1 10 10 D HA H 10 4.710 4.812 -0.102
8179 19 . 1 1 10 10 D C C 10 175.300 174.630 0.670
8180 19 . 1 1 10 10 D CA C 10 53.400 54.343 -0.943
8181 19 . 1 1 10 10 D CB C 10 41.400 41.467 -0.067
8182 19 . 1 1 10 10 D H H 10 8.230 8.395 -0.165
8183 19 . 1 1 11 11 D N N 11 119.000 121.306 -2.306
8184 19 . 1 1 11 11 D HA H 11 4.690 4.903 -0.213
8185 19 . 1 1 11 11 D C C 11 175.500 176.235 -0.735
8186 19 . 1 1 11 11 D CA C 11 52.600 52.615 -0.015
8187 19 . 1 1 11 11 D CB C 11 41.500 42.716 -1.216
8188 19 . 1 1 11 11 D H H 11 7.400 7.748 -0.348
8189 19 . 1 1 12 12 L N N 12 125.800 128.498 -2.698
8190 19 . 1 1 12 12 L HA H 12 3.850 4.119 -0.269
8191 19 . 1 1 12 12 L C C 12 179.100 178.747 0.353
8192 19 . 1 1 12 12 L CA C 12 57.800 58.054 -0.254
8193 19 . 1 1 12 12 L CB C 12 41.700 41.494 0.206
8194 19 . 1 1 12 12 L H H 12 8.520 8.718 -0.198
8195 19 . 1 1 13 13 E N N 13 119.800 118.971 0.829
8196 19 . 1 1 13 13 E HA H 13 3.980 4.010 -0.030
8197 19 . 1 1 13 13 E C C 13 178.600 178.980 -0.380
8198 19 . 1 1 13 13 E CA C 13 59.300 59.320 -0.020
8199 19 . 1 1 13 13 E CB C 13 29.100 29.498 -0.398
8200 19 . 1 1 13 13 E H H 13 8.140 8.415 -0.275
8201 19 . 1 1 14 14 A N N 14 122.200 122.484 -0.284
8202 19 . 1 1 14 14 A HA H 14 3.380 2.842 0.538
8203 19 . 1 1 14 14 A C C 14 179.300 178.820 0.480
8204 19 . 1 1 14 14 A CA C 14 54.400 54.218 0.182
8205 19 . 1 1 14 14 A CB C 14 18.700 17.770 0.930
8206 19 . 1 1 14 14 A H H 14 7.460 7.838 -0.378
8207 19 . 1 1 15 15 F N N 15 115.400 119.592 -4.192
8208 19 . 1 1 15 15 F HA H 15 3.850 3.770 0.080
8209 19 . 1 1 15 15 F C C 15 177.000 176.681 0.319
8210 19 . 1 1 15 15 F CA C 15 57.700 61.739 -4.039
8211 19 . 1 1 15 15 F CB C 15 37.500 39.087 -1.587
8212 19 . 1 1 15 15 F H H 15 7.380 8.027 -0.647
8213 19 . 1 1 16 16 E N N 16 118.800 118.931 -0.131
8214 19 . 1 1 16 16 E HA H 16 3.660 3.531 0.129
8215 19 . 1 1 16 16 E C C 16 178.700 178.804 -0.104
8216 19 . 1 1 16 16 E CA C 16 59.800 59.365 0.435
8217 19 . 1 1 16 16 E CB C 16 29.100 28.675 0.425
8218 19 . 1 1 16 16 E H H 16 7.990 7.949 0.041
8219 19 . 1 1 17 17 K N N 17 118.200 118.315 -0.115
8220 19 . 1 1 17 17 K HA H 17 3.780 3.958 -0.178
8221 19 . 1 1 17 17 K C C 17 179.000 179.015 -0.015
8222 19 . 1 1 17 17 K CA C 17 59.600 59.430 0.170
8223 19 . 1 1 17 17 K CB C 17 32.400 32.479 -0.079
8224 19 . 1 1 17 17 K H H 17 7.550 7.700 -0.150
8225 19 . 1 1 18 18 A N N 18 122.400 121.973 0.427
8226 19 . 1 1 18 18 A HA H 18 3.890 4.033 -0.143
8227 19 . 1 1 18 18 A C C 18 178.900 179.587 -0.687
8228 19 . 1 1 18 18 A CA C 18 54.800 54.955 -0.155
8229 19 . 1 1 18 18 A CB C 18 17.100 17.762 -0.662
8230 19 . 1 1 18 18 A H H 18 8.060 7.729 0.331
8231 19 . 1 1 19 19 L N N 19 118.700 119.026 -0.326
8232 19 . 1 1 19 19 L HA H 19 3.690 3.826 -0.136
8233 19 . 1 1 19 19 L C C 19 177.700 177.921 -0.221
8234 19 . 1 1 19 19 L CA C 19 57.900 57.189 0.711
8235 19 . 1 1 19 19 L CB C 19 41.700 41.318 0.382
8236 19 . 1 1 19 19 L H H 19 8.280 7.278 1.002
8237 19 . 1 1 20 20 K N N 20 116.600 118.620 -2.020
8238 19 . 1 1 20 20 K HA H 20 3.780 3.714 0.066
8239 19 . 1 1 20 20 K C C 20 179.700 178.171 1.529
8240 19 . 1 1 20 20 K CA C 20 60.000 59.869 0.131
8241 19 . 1 1 20 20 K CB C 20 32.400 32.197 0.203
8242 19 . 1 1 20 20 K H H 20 7.760 8.193 -0.433
8243 19 . 1 1 21 21 E N N 21 118.700 119.143 -0.443
8244 19 . 1 1 21 21 E HA H 21 4.300 4.022 0.278
8245 19 . 1 1 21 21 E C C 21 178.500 179.806 -1.306
8246 19 . 1 1 21 21 E CA C 21 58.400 59.537 -1.137
8247 19 . 1 1 21 21 E CB C 21 29.100 29.365 -0.265
8248 19 . 1 1 21 21 E H H 21 7.750 8.004 -0.254
8249 19 . 1 1 22 22 M N N 22 119.100 119.134 -0.034
8250 19 . 1 1 22 22 M HA H 22 4.390 4.225 0.165
8251 19 . 1 1 22 22 M C C 22 178.800 178.769 0.031
8252 19 . 1 1 22 22 M CA C 22 57.300 58.399 -1.099
8253 19 . 1 1 22 22 M CB C 22 31.200 33.211 -2.011
8254 19 . 1 1 22 22 M H H 22 8.300 7.799 0.501
8255 19 . 1 1 23 23 I N N 23 120.200 119.279 0.921
8256 19 . 1 1 23 23 I HA H 23 3.550 3.651 -0.101
8257 19 . 1 1 23 23 I C C 23 177.600 177.913 -0.313
8258 19 . 1 1 23 23 I CA C 23 66.100 64.952 1.148
8259 19 . 1 1 23 23 I CB C 23 37.700 37.203 0.497
8260 19 . 1 1 23 23 I H H 23 8.460 7.945 0.515
8261 19 . 1 1 24 24 R N N 24 120.200 120.954 -0.754
8262 19 . 1 1 24 24 R HA H 24 3.890 3.829 0.061
8263 19 . 1 1 24 24 R C C 24 179.400 178.846 0.554
8264 19 . 1 1 24 24 R CA C 24 59.900 59.968 -0.068
8265 19 . 1 1 24 24 R CB C 24 30.200 29.920 0.280
8266 19 . 1 1 24 24 R H H 24 7.720 8.319 -0.599
8267 19 . 1 1 25 25 Q N N 25 117.100 118.277 -1.177
8268 19 . 1 1 25 25 Q HA H 25 3.930 4.048 -0.118
8269 19 . 1 1 25 25 Q C C 25 177.600 178.545 -0.945
8270 19 . 1 1 25 25 Q CA C 25 58.000 58.628 -0.628
8271 19 . 1 1 25 25 Q CB C 25 27.800 28.460 -0.660
8272 19 . 1 1 25 25 Q H H 25 8.190 7.704 0.486
8273 19 . 1 1 26 26 A N N 26 120.300 122.554 -2.254
8274 19 . 1 1 26 26 A HA H 26 3.690 4.315 -0.625
8275 19 . 1 1 26 26 A C C 26 179.400 180.150 -0.750
8276 19 . 1 1 26 26 A CA C 26 54.200 55.163 -0.963
8277 19 . 1 1 26 26 A CB C 26 18.300 18.333 -0.033
8278 19 . 1 1 26 26 A H H 26 8.240 8.286 -0.046
8279 19 . 1 1 27 27 R N N 27 117.500 117.925 -0.425
8280 19 . 1 1 27 27 R HA H 27 4.070 4.119 -0.049
8281 19 . 1 1 27 27 R C C 27 178.900 178.656 0.244
8282 19 . 1 1 27 27 R CA C 27 58.500 59.554 -1.054
8283 19 . 1 1 27 27 R CB C 27 29.700 29.951 -0.251
8284 19 . 1 1 27 27 R H H 27 8.080 8.272 -0.192
8285 19 . 1 1 28 28 K N N 28 119.100 118.190 0.910
8286 19 . 1 1 28 28 K HA H 28 4.000 3.996 0.004
8287 19 . 1 1 28 28 K C C 28 176.900 176.821 0.079
8288 19 . 1 1 28 28 K CA C 28 58.600 58.594 0.006
8289 19 . 1 1 28 28 K CB C 28 32.100 31.938 0.162
8290 19 . 1 1 28 28 K H H 28 7.520 7.746 -0.226
8291 19 . 1 1 29 29 F N N 29 114.500 116.774 -2.274
8292 19 . 1 1 29 29 F HA H 29 4.930 4.783 0.147
8293 19 . 1 1 29 29 F C C 29 173.600 176.311 -2.711
8294 19 . 1 1 29 29 F CA C 29 55.800 57.689 -1.889
8295 19 . 1 1 29 29 F CB C 29 39.000 40.597 -1.597
8296 19 . 1 1 29 29 F H H 29 7.010 7.576 -0.566
8297 19 . 1 1 30 30 A N N 30 121.600 122.359 -0.759
8298 19 . 1 1 30 30 A HA H 30 4.130 4.462 -0.332
8299 19 . 1 1 30 30 A C C 30 176.700 177.734 -1.034
8300 19 . 1 1 30 30 A CA C 30 52.900 52.802 0.098
8301 19 . 1 1 30 30 A CB C 30 17.000 19.459 -2.459
8302 19 . 1 1 30 30 A H H 30 7.830 8.649 -0.819
8303 19 . 1 1 31 31 G N N 31 105.400 106.840 -1.440
8304 19 . 1 1 31 31 G C C 31 173.100 172.693 0.407
8305 19 . 1 1 31 31 G CA C 31 45.100 45.085 0.015
8306 19 . 1 1 31 31 G H H 31 7.950 7.996 -0.046
8307 19 . 1 1 32 32 T N N 32 115.700 116.484 -0.784
8308 19 . 1 1 32 32 T HA H 32 4.580 5.166 -0.586
8309 19 . 1 1 32 32 T C C 32 173.100 173.520 -0.420
8310 19 . 1 1 32 32 T CA C 32 61.900 61.196 0.704
8311 19 . 1 1 32 32 T CB C 32 70.500 71.652 -1.152
8312 19 . 1 1 32 32 T H H 32 8.220 8.794 -0.574
8313 19 . 1 1 33 33 V N N 33 125.300 126.386 -1.086
8314 19 . 1 1 33 33 V HA H 33 5.150 4.977 0.173
8315 19 . 1 1 33 33 V C C 33 175.300 174.586 0.714
8316 19 . 1 1 33 33 V CA C 33 60.800 60.503 0.297
8317 19 . 1 1 33 33 V CB C 33 34.300 34.195 0.105
8318 19 . 1 1 33 33 V H H 33 8.610 9.041 -0.431
8319 19 . 1 1 34 34 T N N 34 120.200 122.079 -1.879
8320 19 . 1 1 34 34 T HA H 34 4.670 5.268 -0.598
8321 19 . 1 1 34 34 T CA C 34 60.200 58.784 1.416
8322 19 . 1 1 34 34 T CB C 34 71.600 72.425 -0.825
8323 19 . 1 1 34 34 T H H 34 8.890 8.882 0.008
8324 19 . 1 1 35 35 Y N N 35 118.100 121.526 -3.426
8325 19 . 1 1 35 35 Y HA H 35 5.720 5.762 -0.042
8326 19 . 1 1 35 35 Y C C 35 174.400 173.149 1.251
8327 19 . 1 1 35 35 Y CA C 35 56.200 56.085 0.115
8328 19 . 1 1 35 35 Y CB C 35 41.800 41.846 -0.046
8329 19 . 1 1 35 35 Y H H 35 8.360 8.766 -0.406
8330 19 . 1 1 36 36 T N N 36 115.200 113.900 1.300
8331 19 . 1 1 36 36 T HA H 36 4.400 5.313 -0.913
8332 19 . 1 1 36 36 T CA C 36 60.200 60.650 -0.450
8333 19 . 1 1 36 36 T CB C 36 71.800 71.038 0.762
8334 19 . 1 1 36 36 T H H 36 9.020 9.196 -0.176
8335 19 . 1 1 37 37 L N N 37 129.300 128.075 1.225
8336 19 . 1 1 37 37 L HA H 37 5.020 5.095 -0.075
8337 19 . 1 1 37 37 L C C 37 174.900 175.242 -0.342
8338 19 . 1 1 37 37 L CA C 37 54.400 54.092 0.308
8339 19 . 1 1 37 37 L CB C 37 43.800 43.763 0.037
8340 19 . 1 1 37 37 L H H 37 8.850 9.103 -0.253
8341 19 . 1 1 38 38 D N N 38 127.200 127.279 -0.079
8342 19 . 1 1 38 38 D HA H 38 4.850 4.977 -0.127
8343 19 . 1 1 38 38 D CA C 38 53.000 52.761 0.239
8344 19 . 1 1 38 38 D CB C 38 42.300 41.982 0.318
8345 19 . 1 1 38 38 D H H 38 8.740 9.124 -0.384
8346 19 . 1 1 39 39 G N N 39 114.000 115.732 -1.732
8347 19 . 1 1 39 39 G C C 39 174.000 174.559 -0.559
8348 19 . 1 1 39 39 G CA C 39 47.400 47.272 0.128
8349 19 . 1 1 39 39 G H H 39 8.700 8.871 -0.171
8350 19 . 1 1 40 40 N N N 40 124.400 124.201 0.199
8351 19 . 1 1 40 40 N HA H 40 5.070 4.756 0.314
8352 19 . 1 1 40 40 N C C 40 173.100 173.872 -0.772
8353 19 . 1 1 40 40 N CA C 40 53.200 52.835 0.365
8354 19 . 1 1 40 40 N CB C 40 39.300 39.472 -0.172
8355 19 . 1 1 40 40 N H H 40 8.740 8.443 0.297
8356 19 . 1 1 41 41 D N N 41 118.500 119.198 -0.698
8357 19 . 1 1 41 41 D HA H 41 5.410 4.939 0.471
8358 19 . 1 1 41 41 D C C 41 173.600 174.417 -0.817
8359 19 . 1 1 41 41 D CA C 41 53.700 53.412 0.288
8360 19 . 1 1 41 41 D CB C 41 43.800 41.995 1.805
8361 19 . 1 1 41 41 D H H 41 7.980 7.906 0.074
8362 19 . 1 1 42 42 L N N 42 125.100 126.842 -1.742
8363 19 . 1 1 42 42 L HA H 42 4.960 5.117 -0.157
8364 19 . 1 1 42 42 L C C 42 173.600 175.066 -1.466
8365 19 . 1 1 42 42 L CA C 42 53.400 53.825 -0.425
8366 19 . 1 1 42 42 L CB C 42 43.700 44.352 -0.652
8367 19 . 1 1 42 42 L H H 42 8.520 9.530 -1.010
8368 19 . 1 1 43 43 E N N 43 127.800 126.749 1.051
8369 19 . 1 1 43 43 E HA H 43 5.280 4.755 0.525
8370 19 . 1 1 43 43 E C C 43 174.900 175.299 -0.399
8371 19 . 1 1 43 43 E CA C 43 54.500 56.260 -1.760
8372 19 . 1 1 43 43 E CB C 43 32.000 30.380 1.620
8373 19 . 1 1 43 43 E H H 43 8.990 9.061 -0.071
8374 19 . 1 1 44 44 I N N 44 126.300 126.611 -0.311
8375 19 . 1 1 44 44 I HA H 44 4.760 5.080 -0.320
8376 19 . 1 1 44 44 I C C 44 173.800 175.473 -1.673
8377 19 . 1 1 44 44 I CA C 44 60.000 60.117 -0.117
8378 19 . 1 1 44 44 I CB C 44 41.200 40.405 0.795
8379 19 . 1 1 44 44 I H H 44 9.590 9.156 0.434
8380 19 . 1 1 45 45 R N N 45 127.800 126.213 1.587
8381 19 . 1 1 45 45 R HA H 45 5.250 5.075 0.175
8382 19 . 1 1 45 45 R C C 45 175.300 175.143 0.157
8383 19 . 1 1 45 45 R CA C 45 55.000 54.510 0.490
8384 19 . 1 1 45 45 R CB C 45 31.700 32.129 -0.429
8385 19 . 1 1 45 45 R H H 45 9.130 9.329 -0.199
8386 19 . 1 1 46 46 I N N 46 125.800 125.558 0.242
8387 19 . 1 1 46 46 I HA H 46 5.150 4.958 0.192
8388 19 . 1 1 46 46 I C C 46 175.600 174.945 0.655
8389 19 . 1 1 46 46 I CA C 46 60.100 60.092 0.008
8390 19 . 1 1 46 46 I CB C 46 39.900 38.391 1.509
8391 19 . 1 1 46 46 I H H 46 9.180 9.101 0.079
8392 19 . 1 1 47 47 T N N 47 118.800 121.915 -3.115
8393 19 . 1 1 47 47 T HA H 47 5.010 4.747 0.263
8394 19 . 1 1 47 47 T C C 47 174.300 175.359 -1.059
8395 19 . 1 1 47 47 T CA C 47 60.100 61.459 -1.359
8396 19 . 1 1 47 47 T CB C 47 70.900 70.133 0.767
8397 19 . 1 1 47 47 T H H 47 9.020 8.933 0.087
8398 19 . 1 1 48 48 G N N 48 109.000 114.617 -5.617
8399 19 . 1 1 48 48 G C C 48 174.700 173.957 0.743
8400 19 . 1 1 48 48 G CA C 48 46.200 46.830 -0.630
8401 19 . 1 1 48 48 G H H 48 8.350 8.806 -0.456
8402 19 . 1 1 49 49 V N N 49 114.200 113.889 0.311
8403 19 . 1 1 49 49 V HA H 49 4.260 4.659 -0.399
8404 19 . 1 1 49 49 V CA C 49 58.200 58.107 0.093
8405 19 . 1 1 49 49 V CB C 49 32.500 33.960 -1.460
8406 19 . 1 1 49 49 V H H 49 7.760 7.131 0.629
8407 19 . 1 1 50 50 P HA H 50 4.580 4.663 -0.083
8408 19 . 1 1 50 50 P C C 50 177.200 177.492 -0.292
8409 19 . 1 1 50 50 P CA C 50 61.800 62.810 -1.010
8410 19 . 1 1 50 50 P CB C 50 32.500 31.583 0.917
8411 19 . 1 1 51 51 E N N 51 123.400 123.717 -0.317
8412 19 . 1 1 51 51 E HA H 51 4.000 4.011 -0.011
8413 19 . 1 1 51 51 E C C 51 178.500 178.683 -0.183
8414 19 . 1 1 51 51 E CA C 51 59.500 59.400 0.100
8415 19 . 1 1 51 51 E CB C 51 29.300 29.014 0.286
8416 19 . 1 1 51 51 E H H 51 8.890 8.612 0.278
8417 19 . 1 1 52 52 Q N N 52 115.200 118.340 -3.140
8418 19 . 1 1 52 52 Q HA H 52 4.100 4.055 0.045
8419 19 . 1 1 52 52 Q C C 52 177.300 177.271 0.029
8420 19 . 1 1 52 52 Q CA C 52 58.600 58.603 -0.003
8421 19 . 1 1 52 52 Q CB C 52 27.700 28.150 -0.450
8422 19 . 1 1 52 52 Q H H 52 8.910 8.340 0.570
8423 19 . 1 1 53 53 V N N 53 114.900 120.608 -5.708
8424 19 . 1 1 53 53 V HA H 53 4.120 3.819 0.301
8425 19 . 1 1 53 53 V C C 53 176.100 177.520 -1.420
8426 19 . 1 1 53 53 V CA C 53 62.100 65.857 -3.757
8427 19 . 1 1 53 53 V CB C 53 31.900 31.638 0.262
8428 19 . 1 1 53 53 V H H 53 7.080 7.543 -0.463
8429 19 . 1 1 54 54 R N N 54 121.500 120.790 0.710
8430 19 . 1 1 54 54 R HA H 54 3.620 3.866 -0.246
8431 19 . 1 1 54 54 R C C 54 177.100 178.101 -1.001
8432 19 . 1 1 54 54 R CA C 54 60.400 59.255 1.145
8433 19 . 1 1 54 54 R CB C 54 29.700 29.903 -0.203
8434 19 . 1 1 54 54 R H H 54 7.510 8.007 -0.497
8435 19 . 1 1 55 55 K N N 55 116.800 117.631 -0.831
8436 19 . 1 1 55 55 K HA H 55 3.890 4.008 -0.118
8437 19 . 1 1 55 55 K C C 55 176.000 178.737 -2.737
8438 19 . 1 1 55 55 K CA C 55 59.600 59.372 0.228
8439 19 . 1 1 55 55 K CB C 55 31.800 32.227 -0.427
8440 19 . 1 1 55 55 K H H 55 8.170 8.128 0.042
8441 19 . 1 1 56 56 E N N 56 120.200 119.500 0.700
8442 19 . 1 1 56 56 E HA H 56 4.050 4.043 0.007
8443 19 . 1 1 56 56 E CA C 56 59.100 59.176 -0.076
8444 19 . 1 1 56 56 E CB C 56 29.200 29.430 -0.230
8445 19 . 1 1 56 56 E H H 56 7.600 7.808 -0.208
8446 19 . 1 1 57 57 L N N 57 120.200 120.778 -0.578
8447 19 . 1 1 57 57 L HA H 57 3.970 4.034 -0.064
8448 19 . 1 1 57 57 L C C 57 178.300 178.561 -0.261
8449 19 . 1 1 57 57 L CA C 57 57.700 57.780 -0.080
8450 19 . 1 1 57 57 L CB C 57 42.000 41.870 0.130
8451 19 . 1 1 57 57 L H H 57 7.980 8.060 -0.080
8452 19 . 1 1 58 58 A N N 58 120.600 121.607 -1.007
8453 19 . 1 1 58 58 A HA H 58 3.400 3.528 -0.128
8454 19 . 1 1 58 58 A C C 58 178.600 178.770 -0.170
8455 19 . 1 1 58 58 A CA C 58 55.200 55.161 0.039
8456 19 . 1 1 58 58 A CB C 58 17.600 18.030 -0.430
8457 19 . 1 1 58 58 A H H 58 7.820 8.574 -0.754
8458 19 . 1 1 59 59 K N N 59 116.600 118.084 -1.484
8459 19 . 1 1 59 59 K HA H 59 3.990 3.879 0.111
8460 19 . 1 1 59 59 K C C 59 179.900 178.648 1.252
8461 19 . 1 1 59 59 K CA C 59 59.400 59.750 -0.350
8462 19 . 1 1 59 59 K CB C 59 32.000 32.550 -0.550
8463 19 . 1 1 59 59 K H H 59 7.630 7.906 -0.276
8464 19 . 1 1 60 60 E N N 60 120.700 119.114 1.586
8465 19 . 1 1 60 60 E HA H 60 4.390 4.072 0.318
8466 19 . 1 1 60 60 E C C 60 178.100 178.308 -0.208
8467 19 . 1 1 60 60 E CA C 60 58.100 59.036 -0.936
8468 19 . 1 1 60 60 E CB C 60 28.800 29.154 -0.354
8469 19 . 1 1 60 60 E H H 60 7.950 8.253 -0.303
8470 19 . 1 1 61 61 A N N 61 122.400 122.388 0.012
8471 19 . 1 1 61 61 A HA H 61 4.160 4.218 -0.058
8472 19 . 1 1 61 61 A C C 61 179.100 180.091 -0.991
8473 19 . 1 1 61 61 A CA C 61 56.000 55.169 0.831
8474 19 . 1 1 61 61 A CB C 61 17.300 18.076 -0.776
8475 19 . 1 1 61 61 A H H 61 8.300 8.392 -0.092
8476 19 . 1 1 62 62 E N N 62 115.600 117.574 -1.974
8477 19 . 1 1 62 62 E HA H 62 4.040 4.080 -0.040
8478 19 . 1 1 62 62 E C C 62 179.200 178.967 0.233
8479 19 . 1 1 62 62 E CA C 62 59.200 59.289 -0.089
8480 19 . 1 1 62 62 E CB C 62 29.300 29.082 0.218
8481 19 . 1 1 62 62 E H H 62 8.100 7.632 0.468
8482 19 . 1 1 63 63 R N N 63 122.800 120.903 1.897
8483 19 . 1 1 63 63 R HA H 63 4.040 4.062 -0.022
8484 19 . 1 1 63 63 R C C 63 179.100 178.802 0.298
8485 19 . 1 1 63 63 R CA C 63 59.600 58.934 0.666
8486 19 . 1 1 63 63 R CB C 63 29.800 29.833 -0.033
8487 19 . 1 1 63 63 R H H 63 8.250 7.730 0.520
8488 19 . 1 1 64 64 L N N 64 120.800 120.097 0.703
8489 19 . 1 1 64 64 L HA H 64 3.870 3.966 -0.096
8490 19 . 1 1 64 64 L C C 64 178.200 179.168 -0.968
8491 19 . 1 1 64 64 L CA C 64 57.500 58.000 -0.500
8492 19 . 1 1 64 64 L CB C 64 42.300 41.806 0.494
8493 19 . 1 1 64 64 L H H 64 8.460 8.486 -0.026
8494 19 . 1 1 65 65 A N N 65 120.200 121.415 -1.215
8495 19 . 1 1 65 65 A HA H 65 4.050 4.181 -0.131
8496 19 . 1 1 65 65 A C C 65 179.500 179.768 -0.268
8497 19 . 1 1 65 65 A CA C 65 55.200 55.685 -0.485
8498 19 . 1 1 65 65 A CB C 65 17.900 18.648 -0.748
8499 19 . 1 1 65 65 A H H 65 8.190 8.148 0.042
8500 19 . 1 1 66 66 K N N 66 116.500 117.348 -0.848
8501 19 . 1 1 66 66 K HA H 66 4.190 4.057 0.133
8502 19 . 1 1 66 66 K C C 66 178.800 179.342 -0.542
8503 19 . 1 1 66 66 K CA C 66 58.900 59.182 -0.282
8504 19 . 1 1 66 66 K CB C 66 32.300 32.116 0.184
8505 19 . 1 1 66 66 K H H 66 7.700 7.969 -0.269
8506 19 . 1 1 67 67 E N N 67 120.200 119.574 0.626
8507 19 . 1 1 67 67 E HA H 67 3.840 3.877 -0.037
8508 19 . 1 1 67 67 E C C 67 178.000 177.934 0.066
8509 19 . 1 1 67 67 E CA C 67 59.100 58.710 0.390
8510 19 . 1 1 67 67 E CB C 67 29.300 29.230 0.070
8511 19 . 1 1 67 67 E H H 67 8.270 7.813 0.457
8512 19 . 1 1 68 68 F N N 68 113.400 116.371 -2.971
8513 19 . 1 1 68 68 F HA H 68 4.760 4.584 0.176
8514 19 . 1 1 68 68 F C C 68 174.400 174.717 -0.317
8515 19 . 1 1 68 68 F CA C 68 56.300 57.911 -1.611
8516 19 . 1 1 68 68 F CB C 68 39.400 39.822 -0.422
8517 19 . 1 1 68 68 F H H 68 7.800 7.354 0.446
8518 19 . 1 1 69 69 N N N 69 118.200 113.735 4.465
8519 19 . 1 1 69 69 N HA H 69 4.510 4.365 0.145
8520 19 . 1 1 69 69 N CA C 69 54.200 54.570 -0.370
8521 19 . 1 1 69 69 N CB C 69 37.000 37.042 -0.042
8522 19 . 1 1 69 69 N H H 69 7.950 8.019 -0.069
8523 19 . 1 1 70 70 I N N 70 113.900 115.167 -1.267
8524 19 . 1 1 70 70 I HA H 70 4.950 4.751 0.199
8525 19 . 1 1 70 70 I CA C 70 59.800 59.134 0.666
8526 19 . 1 1 70 70 I CB C 70 40.000 40.490 -0.490
8527 19 . 1 1 70 70 I H H 70 8.480 7.663 0.817
8528 19 . 1 1 71 71 T N N 71 113.600 118.475 -4.875
8529 19 . 1 1 71 71 T HA H 71 4.820 5.016 -0.196
8530 19 . 1 1 71 71 T C C 71 173.500 173.892 -0.392
8531 19 . 1 1 71 71 T CA C 71 61.500 62.178 -0.678
8532 19 . 1 1 71 71 T CB C 71 71.200 70.616 0.584
8533 19 . 1 1 71 71 T H H 71 8.520 8.364 0.156
8534 19 . 1 1 72 72 V N N 72 122.600 124.136 -1.536
8535 19 . 1 1 72 72 V HA H 72 5.330 5.062 0.268
8536 19 . 1 1 72 72 V C C 72 173.200 173.902 -0.702
8537 19 . 1 1 72 72 V CA C 72 59.200 60.290 -1.090
8538 19 . 1 1 72 72 V CB C 72 35.800 35.379 0.421
8539 19 . 1 1 72 72 V H H 72 8.720 8.627 0.093
8540 19 . 1 1 73 73 T N N 73 119.300 119.421 -0.121
8541 19 . 1 1 73 73 T HA H 73 4.410 5.302 -0.892
8542 19 . 1 1 73 73 T CA C 73 60.100 59.693 0.407
8543 19 . 1 1 73 73 T CB C 73 71.800 71.507 0.293
8544 19 . 1 1 73 73 T H H 73 8.430 8.662 -0.232
8545 19 . 1 1 74 74 Y N N 74 118.100 119.273 -1.173
8546 19 . 1 1 74 74 Y HA H 74 5.530 6.189 -0.659
8547 19 . 1 1 74 74 Y CA C 74 55.900 55.404 0.496
8548 19 . 1 1 74 74 Y CB C 74 41.600 41.344 0.256
8549 19 . 1 1 74 74 Y H H 74 8.120 8.606 -0.486
8550 19 . 1 1 75 75 T N N 75 115.000 119.865 -4.865
8551 19 . 1 1 75 75 T HA H 75 4.590 4.905 -0.315
8552 19 . 1 1 75 75 T CA C 75 60.700 61.587 -0.887
8553 19 . 1 1 75 75 T CB C 75 71.700 70.751 0.949
8554 19 . 1 1 75 75 T H H 75 8.810 9.129 -0.319
8555 19 . 1 1 76 76 I N N 76 124.400 124.964 -0.564
8556 19 . 1 1 76 76 I HA H 76 4.800 4.857 -0.057
8557 19 . 1 1 76 76 I C C 76 175.300 174.825 0.475
8558 19 . 1 1 76 76 I CA C 76 59.900 60.338 -0.438
8559 19 . 1 1 76 76 I CB C 76 39.500 41.616 -2.116
8560 19 . 1 1 76 76 I H H 76 8.650 8.973 -0.323
8561 19 . 1 1 77 77 R N N 77 125.900 128.163 -2.263
8562 19 . 1 1 77 77 R HA H 77 4.570 4.658 -0.088
8563 19 . 1 1 77 77 R CA C 77 55.100 55.821 -0.721
8564 19 . 1 1 77 77 R CB C 77 32.500 30.789 1.711
8565 19 . 1 1 77 77 R H H 77 8.680 8.842 -0.162
8566 19 . 1 1 78 78 L N N 78 124.400 127.514 -3.114
8567 19 . 1 1 78 78 L HA H 78 4.320 4.954 -0.634
8568 19 . 1 1 78 78 L C C 78 177.000 174.870 2.130
8569 19 . 1 1 78 78 L CA C 78 55.200 54.022 1.178
8570 19 . 1 1 78 78 L CB C 78 42.200 44.136 -1.936
8571 19 . 1 1 78 78 L H H 78 8.500 9.006 -0.506
8572 19 . 1 1 79 79 E N N 79 121.300 126.219 -4.919
8573 19 . 1 1 79 79 E HA H 79 4.150 4.688 -0.538
8574 19 . 1 1 79 79 E C C 79 173.700 175.337 -1.637
8575 19 . 1 1 79 79 E CA C 79 55.400 55.856 -0.456
8576 19 . 1 1 79 79 E CB C 79 30.100 30.162 -0.062
8577 19 . 1 1 79 79 E H H 79 8.310 8.895 -0.585
8578 19 . 1 1 80 80 H N N 80 125.300 124.894 0.406
8579 19 . 1 1 80 80 H HA H 80 4.580 5.205 -0.625
8580 19 . 1 1 80 80 H CA C 80 57.100 54.277 2.823
8581 19 . 1 1 80 80 H CB C 80 30.300 33.453 -3.153
8582 19 . 1 1 80 80 H H H 80 8.090 8.742 -0.652
8583 20 . 1 1 2 2 E N N 2 121.100 125.261 -4.161
8584 20 . 1 1 2 2 E HA H 2 5.260 5.317 -0.057
8585 20 . 1 1 2 2 E C C 2 174.300 175.370 -1.070
8586 20 . 1 1 2 2 E CA C 2 54.300 54.742 -0.442
8587 20 . 1 1 2 2 E CB C 2 32.400 33.593 -1.193
8588 20 . 1 1 2 2 E H H 2 8.720 8.716 0.004
8589 20 . 1 1 3 3 M N N 3 122.600 119.590 3.010
8590 20 . 1 1 3 3 M HA H 3 5.120 5.434 -0.314
8591 20 . 1 1 3 3 M C C 3 172.600 174.083 -1.483
8592 20 . 1 1 3 3 M CA C 3 54.600 53.528 1.072
8593 20 . 1 1 3 3 M CB C 3 37.000 35.135 1.865
8594 20 . 1 1 3 3 M H H 3 8.990 8.982 0.008
8595 20 . 1 1 4 4 D N N 4 126.300 124.440 1.860
8596 20 . 1 1 4 4 D HA H 4 5.650 5.154 0.496
8597 20 . 1 1 4 4 D C C 4 175.000 175.540 -0.540
8598 20 . 1 1 4 4 D CA C 4 52.600 54.304 -1.704
8599 20 . 1 1 4 4 D CB C 4 41.800 41.834 -0.034
8600 20 . 1 1 4 4 D H H 4 8.810 9.005 -0.195
8601 20 . 1 1 5 5 I N N 5 124.600 123.757 0.843
8602 20 . 1 1 5 5 I HA H 5 4.470 4.859 -0.389
8603 20 . 1 1 5 5 I C C 5 173.600 174.932 -1.332
8604 20 . 1 1 5 5 I CA C 5 60.500 60.172 0.328
8605 20 . 1 1 5 5 I CB C 5 41.100 41.757 -0.657
8606 20 . 1 1 5 5 I H H 5 9.520 9.164 0.356
8607 20 . 1 1 6 6 R N N 6 127.500 126.115 1.385
8608 20 . 1 1 6 6 R HA H 6 5.410 5.452 -0.042
8609 20 . 1 1 6 6 R C C 6 175.300 175.111 0.189
8610 20 . 1 1 6 6 R CA C 6 54.400 54.582 -0.182
8611 20 . 1 1 6 6 R CB C 6 32.500 32.381 0.119
8612 20 . 1 1 6 6 R H H 6 8.970 8.999 -0.029
8613 20 . 1 1 7 7 F N N 7 125.400 123.439 1.961
8614 20 . 1 1 7 7 F HA H 7 5.720 5.095 0.625
8615 20 . 1 1 7 7 F C C 7 174.800 175.192 -0.392
8616 20 . 1 1 7 7 F CA C 7 56.000 57.282 -1.282
8617 20 . 1 1 7 7 F CB C 7 42.300 41.247 1.053
8618 20 . 1 1 7 7 F H H 7 9.530 8.739 0.791
8619 20 . 1 1 8 8 R N N 8 121.100 122.305 -1.205
8620 20 . 1 1 8 8 R HA H 8 5.700 5.855 -0.155
8621 20 . 1 1 8 8 R C C 8 175.400 175.471 -0.071
8622 20 . 1 1 8 8 R CA C 8 54.500 55.183 -0.683
8623 20 . 1 1 8 8 R CB C 8 33.800 33.878 -0.078
8624 20 . 1 1 8 8 R H H 8 8.770 9.321 -0.551
8625 20 . 1 1 9 9 G N N 9 111.500 112.491 -0.991
8626 20 . 1 1 9 9 G C C 9 171.200 173.622 -2.422
8627 20 . 1 1 9 9 G CA C 9 45.200 45.692 -0.492
8628 20 . 1 1 9 9 G H H 9 8.630 8.294 0.336
8629 20 . 1 1 10 10 D N N 10 117.300 119.381 -2.081
8630 20 . 1 1 10 10 D HA H 10 4.710 4.727 -0.017
8631 20 . 1 1 10 10 D C C 10 175.300 176.666 -1.366
8632 20 . 1 1 10 10 D CA C 10 53.400 55.781 -2.381
8633 20 . 1 1 10 10 D CB C 10 41.400 42.140 -0.740
8634 20 . 1 1 10 10 D H H 10 8.230 8.686 -0.456
8635 20 . 1 1 11 11 D N N 11 119.000 118.326 0.674
8636 20 . 1 1 11 11 D HA H 11 4.690 4.550 0.140
8637 20 . 1 1 11 11 D C C 11 175.500 176.516 -1.016
8638 20 . 1 1 11 11 D CA C 11 52.600 54.440 -1.840
8639 20 . 1 1 11 11 D CB C 11 41.500 41.248 0.252
8640 20 . 1 1 11 11 D H H 11 7.400 7.556 -0.156
8641 20 . 1 1 12 12 L N N 12 125.800 127.885 -2.085
8642 20 . 1 1 12 12 L HA H 12 3.850 4.291 -0.441
8643 20 . 1 1 12 12 L C C 12 179.100 178.552 0.548
8644 20 . 1 1 12 12 L CA C 12 57.800 58.969 -1.169
8645 20 . 1 1 12 12 L CB C 12 41.700 41.401 0.299
8646 20 . 1 1 12 12 L H H 12 8.520 8.697 -0.177
8647 20 . 1 1 13 13 E N N 13 119.800 117.924 1.876
8648 20 . 1 1 13 13 E HA H 13 3.980 4.000 -0.020
8649 20 . 1 1 13 13 E C C 13 178.600 179.160 -0.560
8650 20 . 1 1 13 13 E CA C 13 59.300 59.322 -0.022
8651 20 . 1 1 13 13 E CB C 13 29.100 29.077 0.023
8652 20 . 1 1 13 13 E H H 13 8.140 8.270 -0.130
8653 20 . 1 1 14 14 A N N 14 122.200 122.421 -0.221
8654 20 . 1 1 14 14 A HA H 14 3.380 3.256 0.124
8655 20 . 1 1 14 14 A C C 14 179.300 179.210 0.090
8656 20 . 1 1 14 14 A CA C 14 54.400 54.259 0.141
8657 20 . 1 1 14 14 A CB C 14 18.700 17.653 1.047
8658 20 . 1 1 14 14 A H H 14 7.460 7.491 -0.031
8659 20 . 1 1 15 15 F N N 15 115.400 115.791 -0.391
8660 20 . 1 1 15 15 F HA H 15 3.850 4.020 -0.170
8661 20 . 1 1 15 15 F C C 15 177.000 178.380 -1.380
8662 20 . 1 1 15 15 F CA C 15 57.700 60.919 -3.219
8663 20 . 1 1 15 15 F CB C 15 37.500 38.752 -1.252
8664 20 . 1 1 15 15 F H H 15 7.380 7.413 -0.033
8665 20 . 1 1 16 16 E N N 16 118.800 117.759 1.041
8666 20 . 1 1 16 16 E HA H 16 3.660 3.942 -0.282
8667 20 . 1 1 16 16 E C C 16 178.700 178.642 0.058
8668 20 . 1 1 16 16 E CA C 16 59.800 59.012 0.788
8669 20 . 1 1 16 16 E CB C 16 29.100 29.450 -0.350
8670 20 . 1 1 16 16 E H H 16 7.990 8.310 -0.320
8671 20 . 1 1 17 17 K N N 17 118.200 119.510 -1.310
8672 20 . 1 1 17 17 K HA H 17 3.780 3.926 -0.146
8673 20 . 1 1 17 17 K C C 17 179.000 178.815 0.185
8674 20 . 1 1 17 17 K CA C 17 59.600 59.208 0.392
8675 20 . 1 1 17 17 K CB C 17 32.400 32.079 0.321
8676 20 . 1 1 17 17 K H H 17 7.550 8.041 -0.491
8677 20 . 1 1 18 18 A N N 18 122.400 121.813 0.587
8678 20 . 1 1 18 18 A HA H 18 3.890 3.987 -0.097
8679 20 . 1 1 18 18 A C C 18 178.900 180.290 -1.390
8680 20 . 1 1 18 18 A CA C 18 54.800 54.735 0.065
8681 20 . 1 1 18 18 A CB C 18 17.100 17.671 -0.571
8682 20 . 1 1 18 18 A H H 18 8.060 7.139 0.921
8683 20 . 1 1 19 19 L N N 19 118.700 119.431 -0.731
8684 20 . 1 1 19 19 L HA H 19 3.690 3.985 -0.295
8685 20 . 1 1 19 19 L C C 19 177.700 178.234 -0.534
8686 20 . 1 1 19 19 L CA C 19 57.900 57.493 0.407
8687 20 . 1 1 19 19 L CB C 19 41.700 41.446 0.254
8688 20 . 1 1 19 19 L H H 19 8.280 7.937 0.343
8689 20 . 1 1 20 20 K N N 20 116.600 118.794 -2.194
8690 20 . 1 1 20 20 K HA H 20 3.780 3.800 -0.020
8691 20 . 1 1 20 20 K C C 20 179.700 178.691 1.009
8692 20 . 1 1 20 20 K CA C 20 60.000 59.894 0.106
8693 20 . 1 1 20 20 K CB C 20 32.400 32.183 0.217
8694 20 . 1 1 20 20 K H H 20 7.760 8.321 -0.561
8695 20 . 1 1 21 21 E N N 21 118.700 119.323 -0.623
8696 20 . 1 1 21 21 E HA H 21 4.300 4.057 0.243
8697 20 . 1 1 21 21 E C C 21 178.500 179.873 -1.373
8698 20 . 1 1 21 21 E CA C 21 58.400 59.542 -1.142
8699 20 . 1 1 21 21 E CB C 21 29.100 29.531 -0.431
8700 20 . 1 1 21 21 E H H 21 7.750 7.893 -0.143
8701 20 . 1 1 22 22 M N N 22 119.100 119.339 -0.239
8702 20 . 1 1 22 22 M HA H 22 4.390 4.193 0.197
8703 20 . 1 1 22 22 M C C 22 178.800 178.669 0.131
8704 20 . 1 1 22 22 M CA C 22 57.300 58.408 -1.108
8705 20 . 1 1 22 22 M CB C 22 31.200 32.890 -1.690
8706 20 . 1 1 22 22 M H H 22 8.300 8.027 0.273
8707 20 . 1 1 23 23 I N N 23 120.200 119.178 1.022
8708 20 . 1 1 23 23 I HA H 23 3.550 3.616 -0.066
8709 20 . 1 1 23 23 I C C 23 177.600 177.936 -0.336
8710 20 . 1 1 23 23 I CA C 23 66.100 65.097 1.003
8711 20 . 1 1 23 23 I CB C 23 37.700 37.760 -0.060
8712 20 . 1 1 23 23 I H H 23 8.460 8.293 0.167
8713 20 . 1 1 24 24 R N N 24 120.200 120.619 -0.419
8714 20 . 1 1 24 24 R HA H 24 3.890 3.931 -0.041
8715 20 . 1 1 24 24 R C C 24 179.400 178.919 0.481
8716 20 . 1 1 24 24 R CA C 24 59.900 59.879 0.021
8717 20 . 1 1 24 24 R CB C 24 30.200 30.091 0.109
8718 20 . 1 1 24 24 R H H 24 7.720 8.353 -0.633
8719 20 . 1 1 25 25 Q N N 25 117.100 118.525 -1.425
8720 20 . 1 1 25 25 Q HA H 25 3.930 4.096 -0.166
8721 20 . 1 1 25 25 Q C C 25 177.600 178.412 -0.812
8722 20 . 1 1 25 25 Q CA C 25 58.000 58.702 -0.702
8723 20 . 1 1 25 25 Q CB C 25 27.800 28.360 -0.560
8724 20 . 1 1 25 25 Q H H 25 8.190 8.035 0.155
8725 20 . 1 1 26 26 A N N 26 120.300 122.732 -2.432
8726 20 . 1 1 26 26 A HA H 26 3.690 4.174 -0.484
8727 20 . 1 1 26 26 A C C 26 179.400 179.821 -0.421
8728 20 . 1 1 26 26 A CA C 26 54.200 55.173 -0.973
8729 20 . 1 1 26 26 A CB C 26 18.300 18.335 -0.035
8730 20 . 1 1 26 26 A H H 26 8.240 8.401 -0.161
8731 20 . 1 1 27 27 R N N 27 117.500 117.568 -0.068
8732 20 . 1 1 27 27 R HA H 27 4.070 4.127 -0.057
8733 20 . 1 1 27 27 R C C 27 178.900 179.290 -0.390
8734 20 . 1 1 27 27 R CA C 27 58.500 59.345 -0.845
8735 20 . 1 1 27 27 R CB C 27 29.700 29.936 -0.236
8736 20 . 1 1 27 27 R H H 27 8.080 8.082 -0.002
8737 20 . 1 1 28 28 K N N 28 119.100 119.263 -0.163
8738 20 . 1 1 28 28 K HA H 28 4.000 3.877 0.123
8739 20 . 1 1 28 28 K C C 28 176.900 175.329 1.571
8740 20 . 1 1 28 28 K CA C 28 58.600 58.547 0.053
8741 20 . 1 1 28 28 K CB C 28 32.100 32.179 -0.079
8742 20 . 1 1 28 28 K H H 28 7.520 7.483 0.037
8743 20 . 1 1 29 29 F N N 29 114.500 116.182 -1.682
8744 20 . 1 1 29 29 F HA H 29 4.930 5.121 -0.191
8745 20 . 1 1 29 29 F C C 29 173.600 175.068 -1.468
8746 20 . 1 1 29 29 F CA C 29 55.800 56.984 -1.184
8747 20 . 1 1 29 29 F CB C 29 39.000 42.662 -3.662
8748 20 . 1 1 29 29 F H H 29 7.010 7.722 -0.712
8749 20 . 1 1 30 30 A N N 30 121.600 124.173 -2.573
8750 20 . 1 1 30 30 A HA H 30 4.130 4.544 -0.414
8751 20 . 1 1 30 30 A C C 30 176.700 177.016 -0.316
8752 20 . 1 1 30 30 A CA C 30 52.900 51.564 1.336
8753 20 . 1 1 30 30 A CB C 30 17.000 18.340 -1.340
8754 20 . 1 1 30 30 A H H 30 7.830 8.583 -0.753
8755 20 . 1 1 31 31 G N N 31 105.400 109.401 -4.001
8756 20 . 1 1 31 31 G C C 31 173.100 171.777 1.323
8757 20 . 1 1 31 31 G CA C 31 45.100 44.798 0.302
8758 20 . 1 1 31 31 G H H 31 7.950 8.195 -0.245
8759 20 . 1 1 32 32 T N N 32 115.700 116.028 -0.328
8760 20 . 1 1 32 32 T HA H 32 4.580 5.138 -0.558
8761 20 . 1 1 32 32 T C C 32 173.100 173.542 -0.442
8762 20 . 1 1 32 32 T CA C 32 61.900 61.601 0.299
8763 20 . 1 1 32 32 T CB C 32 70.500 70.411 0.089
8764 20 . 1 1 32 32 T H H 32 8.220 8.600 -0.380
8765 20 . 1 1 33 33 V N N 33 125.300 127.613 -2.313
8766 20 . 1 1 33 33 V HA H 33 5.150 4.841 0.309
8767 20 . 1 1 33 33 V C C 33 175.300 175.232 0.068
8768 20 . 1 1 33 33 V CA C 33 60.800 61.019 -0.219
8769 20 . 1 1 33 33 V CB C 33 34.300 32.806 1.494
8770 20 . 1 1 33 33 V H H 33 8.610 9.067 -0.457
8771 20 . 1 1 34 34 T N N 34 120.200 119.725 0.475
8772 20 . 1 1 34 34 T HA H 34 4.670 5.241 -0.571
8773 20 . 1 1 34 34 T CA C 34 60.200 60.652 -0.452
8774 20 . 1 1 34 34 T CB C 34 71.600 70.353 1.247
8775 20 . 1 1 34 34 T H H 34 8.890 8.990 -0.100
8776 20 . 1 1 35 35 Y N N 35 118.100 119.243 -1.143
8777 20 . 1 1 35 35 Y HA H 35 5.720 6.235 -0.515
8778 20 . 1 1 35 35 Y C C 35 174.400 172.768 1.632
8779 20 . 1 1 35 35 Y CA C 35 56.200 55.830 0.370
8780 20 . 1 1 35 35 Y CB C 35 41.800 42.560 -0.760
8781 20 . 1 1 35 35 Y H H 35 8.360 8.608 -0.248
8782 20 . 1 1 36 36 T N N 36 115.200 115.224 -0.024
8783 20 . 1 1 36 36 T HA H 36 4.400 4.996 -0.596
8784 20 . 1 1 36 36 T CA C 36 60.200 60.197 0.003
8785 20 . 1 1 36 36 T CB C 36 71.800 71.443 0.357
8786 20 . 1 1 36 36 T H H 36 9.020 9.005 0.015
8787 20 . 1 1 37 37 L N N 37 129.300 130.186 -0.886
8788 20 . 1 1 37 37 L HA H 37 5.020 4.835 0.185
8789 20 . 1 1 37 37 L C C 37 174.900 175.028 -0.128
8790 20 . 1 1 37 37 L CA C 37 54.400 53.925 0.475
8791 20 . 1 1 37 37 L CB C 37 43.800 43.788 0.012
8792 20 . 1 1 37 37 L H H 37 8.850 8.989 -0.139
8793 20 . 1 1 38 38 D N N 38 127.200 126.563 0.637
8794 20 . 1 1 38 38 D HA H 38 4.850 4.901 -0.051
8795 20 . 1 1 38 38 D CA C 38 53.000 52.690 0.310
8796 20 . 1 1 38 38 D CB C 38 42.300 42.543 -0.243
8797 20 . 1 1 38 38 D H H 38 8.740 8.925 -0.185
8798 20 . 1 1 39 39 G N N 39 114.000 116.503 -2.503
8799 20 . 1 1 39 39 G C C 39 174.000 174.684 -0.684
8800 20 . 1 1 39 39 G CA C 39 47.400 47.251 0.149
8801 20 . 1 1 39 39 G H H 39 8.700 8.966 -0.266
8802 20 . 1 1 40 40 N N N 40 124.400 124.342 0.058
8803 20 . 1 1 40 40 N HA H 40 5.070 4.757 0.313
8804 20 . 1 1 40 40 N C C 40 173.100 173.578 -0.478
8805 20 . 1 1 40 40 N CA C 40 53.200 52.750 0.450
8806 20 . 1 1 40 40 N CB C 40 39.300 39.659 -0.359
8807 20 . 1 1 40 40 N H H 40 8.740 8.671 0.069
8808 20 . 1 1 41 41 D N N 41 118.500 118.136 0.364
8809 20 . 1 1 41 41 D HA H 41 5.410 5.486 -0.076
8810 20 . 1 1 41 41 D C C 41 173.600 174.405 -0.805
8811 20 . 1 1 41 41 D CA C 41 53.700 52.696 1.004
8812 20 . 1 1 41 41 D CB C 41 43.800 44.095 -0.295
8813 20 . 1 1 41 41 D H H 41 7.980 7.864 0.116
8814 20 . 1 1 42 42 L N N 42 125.100 125.988 -0.888
8815 20 . 1 1 42 42 L HA H 42 4.960 5.043 -0.083
8816 20 . 1 1 42 42 L C C 42 173.600 175.490 -1.890
8817 20 . 1 1 42 42 L CA C 42 53.400 53.572 -0.172
8818 20 . 1 1 42 42 L CB C 42 43.700 44.619 -0.919
8819 20 . 1 1 42 42 L H H 42 8.520 9.534 -1.014
8820 20 . 1 1 43 43 E N N 43 127.800 127.850 -0.050
8821 20 . 1 1 43 43 E HA H 43 5.280 4.730 0.550
8822 20 . 1 1 43 43 E C C 43 174.900 175.390 -0.490
8823 20 . 1 1 43 43 E CA C 43 54.500 56.068 -1.568
8824 20 . 1 1 43 43 E CB C 43 32.000 30.334 1.666
8825 20 . 1 1 43 43 E H H 43 8.990 9.092 -0.102
8826 20 . 1 1 44 44 I N N 44 126.300 128.043 -1.743
8827 20 . 1 1 44 44 I HA H 44 4.760 5.112 -0.352
8828 20 . 1 1 44 44 I C C 44 173.800 174.703 -0.903
8829 20 . 1 1 44 44 I CA C 44 60.000 60.210 -0.210
8830 20 . 1 1 44 44 I CB C 44 41.200 41.145 0.055
8831 20 . 1 1 44 44 I H H 44 9.590 9.126 0.464
8832 20 . 1 1 45 45 R N N 45 127.800 128.867 -1.067
8833 20 . 1 1 45 45 R HA H 45 5.250 5.409 -0.159
8834 20 . 1 1 45 45 R C C 45 175.300 174.522 0.778
8835 20 . 1 1 45 45 R CA C 45 55.000 54.481 0.519
8836 20 . 1 1 45 45 R CB C 45 31.700 33.642 -1.942
8837 20 . 1 1 45 45 R H H 45 9.130 9.871 -0.741
8838 20 . 1 1 46 46 I N N 46 125.800 127.787 -1.987
8839 20 . 1 1 46 46 I HA H 46 5.150 5.025 0.125
8840 20 . 1 1 46 46 I C C 46 175.600 174.806 0.794
8841 20 . 1 1 46 46 I CA C 46 60.100 59.976 0.124
8842 20 . 1 1 46 46 I CB C 46 39.900 39.532 0.368
8843 20 . 1 1 46 46 I H H 46 9.180 8.892 0.288
8844 20 . 1 1 47 47 T N N 47 118.800 121.097 -2.297
8845 20 . 1 1 47 47 T HA H 47 5.010 4.773 0.237
8846 20 . 1 1 47 47 T C C 47 174.300 175.566 -1.266
8847 20 . 1 1 47 47 T CA C 47 60.100 60.871 -0.771
8848 20 . 1 1 47 47 T CB C 47 70.900 71.135 -0.235
8849 20 . 1 1 47 47 T H H 47 9.020 9.061 -0.041
8850 20 . 1 1 48 48 G N N 48 109.000 114.533 -5.533
8851 20 . 1 1 48 48 G C C 48 174.700 174.201 0.499
8852 20 . 1 1 48 48 G CA C 48 46.200 45.818 0.382
8853 20 . 1 1 48 48 G H H 48 8.350 8.698 -0.348
8854 20 . 1 1 49 49 V N N 49 114.200 118.238 -4.038
8855 20 . 1 1 49 49 V HA H 49 4.260 4.150 0.110
8856 20 . 1 1 49 49 V CA C 49 58.200 60.064 -1.864
8857 20 . 1 1 49 49 V CB C 49 32.500 32.044 0.456
8858 20 . 1 1 49 49 V H H 49 7.760 7.186 0.574
8859 20 . 1 1 50 50 P HA H 50 4.580 4.597 -0.017
8860 20 . 1 1 50 50 P C C 50 177.200 177.698 -0.498
8861 20 . 1 1 50 50 P CA C 50 61.800 62.395 -0.595
8862 20 . 1 1 50 50 P CB C 50 32.500 32.379 0.121
8863 20 . 1 1 51 51 E N N 51 123.400 124.124 -0.724
8864 20 . 1 1 51 51 E HA H 51 4.000 3.879 0.121
8865 20 . 1 1 51 51 E C C 51 178.500 178.225 0.275
8866 20 . 1 1 51 51 E CA C 51 59.500 59.650 -0.150
8867 20 . 1 1 51 51 E CB C 51 29.300 29.379 -0.079
8868 20 . 1 1 51 51 E H H 51 8.890 8.986 -0.096
8869 20 . 1 1 52 52 Q N N 52 115.200 117.030 -1.830
8870 20 . 1 1 52 52 Q HA H 52 4.100 4.083 0.017
8871 20 . 1 1 52 52 Q C C 52 177.300 177.394 -0.094
8872 20 . 1 1 52 52 Q CA C 52 58.600 58.068 0.532
8873 20 . 1 1 52 52 Q CB C 52 27.700 28.015 -0.315
8874 20 . 1 1 52 52 Q H H 52 8.910 8.462 0.448
8875 20 . 1 1 53 53 V N N 53 114.900 120.123 -5.223
8876 20 . 1 1 53 53 V HA H 53 4.120 3.883 0.237
8877 20 . 1 1 53 53 V C C 53 176.100 177.541 -1.441
8878 20 . 1 1 53 53 V CA C 53 62.100 65.479 -3.379
8879 20 . 1 1 53 53 V CB C 53 31.900 31.711 0.189
8880 20 . 1 1 53 53 V H H 53 7.080 7.278 -0.198
8881 20 . 1 1 54 54 R N N 54 121.500 120.615 0.885
8882 20 . 1 1 54 54 R HA H 54 3.620 3.900 -0.280
8883 20 . 1 1 54 54 R C C 54 177.100 178.142 -1.042
8884 20 . 1 1 54 54 R CA C 54 60.400 59.787 0.613
8885 20 . 1 1 54 54 R CB C 54 29.700 29.851 -0.151
8886 20 . 1 1 54 54 R H H 54 7.510 8.075 -0.565
8887 20 . 1 1 55 55 K N N 55 116.800 117.576 -0.776
8888 20 . 1 1 55 55 K HA H 55 3.890 4.028 -0.138
8889 20 . 1 1 55 55 K C C 55 176.000 178.721 -2.721
8890 20 . 1 1 55 55 K CA C 55 59.600 59.329 0.271
8891 20 . 1 1 55 55 K CB C 55 31.800 32.309 -0.509
8892 20 . 1 1 55 55 K H H 55 8.170 7.668 0.502
8893 20 . 1 1 56 56 E N N 56 120.200 119.524 0.676
8894 20 . 1 1 56 56 E HA H 56 4.050 4.089 -0.039
8895 20 . 1 1 56 56 E CA C 56 59.100 58.807 0.293
8896 20 . 1 1 56 56 E CB C 56 29.200 30.064 -0.864
8897 20 . 1 1 56 56 E H H 56 7.600 7.859 -0.259
8898 20 . 1 1 57 57 L N N 57 120.200 120.315 -0.115
8899 20 . 1 1 57 57 L HA H 57 3.970 3.974 -0.004
8900 20 . 1 1 57 57 L C C 57 178.300 178.619 -0.319
8901 20 . 1 1 57 57 L CA C 57 57.700 57.936 -0.236
8902 20 . 1 1 57 57 L CB C 57 42.000 41.778 0.222
8903 20 . 1 1 57 57 L H H 57 7.980 8.309 -0.329
8904 20 . 1 1 58 58 A N N 58 120.600 121.754 -1.154
8905 20 . 1 1 58 58 A HA H 58 3.400 3.936 -0.536
8906 20 . 1 1 58 58 A C C 58 178.600 178.889 -0.289
8907 20 . 1 1 58 58 A CA C 58 55.200 55.416 -0.216
8908 20 . 1 1 58 58 A CB C 58 17.600 18.560 -0.960
8909 20 . 1 1 58 58 A H H 58 7.820 8.539 -0.719
8910 20 . 1 1 59 59 K N N 59 116.600 118.070 -1.470
8911 20 . 1 1 59 59 K HA H 59 3.990 3.875 0.115
8912 20 . 1 1 59 59 K C C 59 179.900 178.790 1.110
8913 20 . 1 1 59 59 K CA C 59 59.400 59.766 -0.366
8914 20 . 1 1 59 59 K CB C 59 32.000 32.508 -0.508
8915 20 . 1 1 59 59 K H H 59 7.630 7.778 -0.148
8916 20 . 1 1 60 60 E N N 60 120.700 118.965 1.735
8917 20 . 1 1 60 60 E HA H 60 4.390 4.035 0.355
8918 20 . 1 1 60 60 E C C 60 178.100 178.531 -0.431
8919 20 . 1 1 60 60 E CA C 60 58.100 59.576 -1.476
8920 20 . 1 1 60 60 E CB C 60 28.800 29.235 -0.435
8921 20 . 1 1 60 60 E H H 60 7.950 8.577 -0.627
8922 20 . 1 1 61 61 A N N 61 122.400 121.961 0.439
8923 20 . 1 1 61 61 A HA H 61 4.160 4.377 -0.217
8924 20 . 1 1 61 61 A C C 61 179.100 180.177 -1.077
8925 20 . 1 1 61 61 A CA C 61 56.000 54.981 1.019
8926 20 . 1 1 61 61 A CB C 61 17.300 18.304 -1.004
8927 20 . 1 1 61 61 A H H 61 8.300 8.375 -0.075
8928 20 . 1 1 62 62 E N N 62 115.600 117.892 -2.292
8929 20 . 1 1 62 62 E HA H 62 4.040 4.019 0.021
8930 20 . 1 1 62 62 E C C 62 179.200 179.353 -0.153
8931 20 . 1 1 62 62 E CA C 62 59.200 59.603 -0.403
8932 20 . 1 1 62 62 E CB C 62 29.300 29.412 -0.112
8933 20 . 1 1 62 62 E H H 62 8.100 7.935 0.165
8934 20 . 1 1 63 63 R N N 63 122.800 120.352 2.448
8935 20 . 1 1 63 63 R HA H 63 4.040 4.184 -0.144
8936 20 . 1 1 63 63 R C C 63 179.100 179.024 0.076
8937 20 . 1 1 63 63 R CA C 63 59.600 58.877 0.723
8938 20 . 1 1 63 63 R CB C 63 29.800 30.070 -0.270
8939 20 . 1 1 63 63 R H H 63 8.250 7.737 0.513
8940 20 . 1 1 64 64 L N N 64 120.800 120.229 0.571
8941 20 . 1 1 64 64 L HA H 64 3.870 3.982 -0.112
8942 20 . 1 1 64 64 L C C 64 178.200 179.183 -0.983
8943 20 . 1 1 64 64 L CA C 64 57.500 58.016 -0.516
8944 20 . 1 1 64 64 L CB C 64 42.300 41.760 0.540
8945 20 . 1 1 64 64 L H H 64 8.460 8.646 -0.186
8946 20 . 1 1 65 65 A N N 65 120.200 121.309 -1.109
8947 20 . 1 1 65 65 A HA H 65 4.050 4.362 -0.312
8948 20 . 1 1 65 65 A C C 65 179.500 180.179 -0.679
8949 20 . 1 1 65 65 A CA C 65 55.200 55.974 -0.774
8950 20 . 1 1 65 65 A CB C 65 17.900 18.432 -0.532
8951 20 . 1 1 65 65 A H H 65 8.190 8.803 -0.613
8952 20 . 1 1 66 66 K N N 66 116.500 117.885 -1.385
8953 20 . 1 1 66 66 K HA H 66 4.190 4.073 0.117
8954 20 . 1 1 66 66 K C C 66 178.800 179.022 -0.222
8955 20 . 1 1 66 66 K CA C 66 58.900 59.624 -0.724
8956 20 . 1 1 66 66 K CB C 66 32.300 32.134 0.166
8957 20 . 1 1 66 66 K H H 66 7.700 8.258 -0.558
8958 20 . 1 1 67 67 E N N 67 120.200 119.409 0.791
8959 20 . 1 1 67 67 E HA H 67 3.840 3.932 -0.092
8960 20 . 1 1 67 67 E C C 67 178.000 177.980 0.020
8961 20 . 1 1 67 67 E CA C 67 59.100 59.223 -0.123
8962 20 . 1 1 67 67 E CB C 67 29.300 29.269 0.031
8963 20 . 1 1 67 67 E H H 67 8.270 8.160 0.110
8964 20 . 1 1 68 68 F N N 68 113.400 115.020 -1.620
8965 20 . 1 1 68 68 F HA H 68 4.760 4.525 0.235
8966 20 . 1 1 68 68 F C C 68 174.400 174.814 -0.414
8967 20 . 1 1 68 68 F CA C 68 56.300 57.691 -1.391
8968 20 . 1 1 68 68 F CB C 68 39.400 39.512 -0.112
8969 20 . 1 1 68 68 F H H 68 7.800 7.640 0.160
8970 20 . 1 1 69 69 N N N 69 118.200 117.752 0.448
8971 20 . 1 1 69 69 N HA H 69 4.510 4.321 0.189
8972 20 . 1 1 69 69 N CA C 69 54.200 54.304 -0.104
8973 20 . 1 1 69 69 N CB C 69 37.000 37.526 -0.526
8974 20 . 1 1 69 69 N H H 69 7.950 8.156 -0.206
8975 20 . 1 1 70 70 I N N 70 113.900 114.308 -0.408
8976 20 . 1 1 70 70 I HA H 70 4.950 4.822 0.128
8977 20 . 1 1 70 70 I CA C 70 59.800 59.158 0.642
8978 20 . 1 1 70 70 I CB C 70 40.000 40.831 -0.831
8979 20 . 1 1 70 70 I H H 70 8.480 8.038 0.442
8980 20 . 1 1 71 71 T N N 71 113.600 118.693 -5.093
8981 20 . 1 1 71 71 T HA H 71 4.820 4.960 -0.140
8982 20 . 1 1 71 71 T C C 71 173.500 173.322 0.178
8983 20 . 1 1 71 71 T CA C 71 61.500 62.162 -0.662
8984 20 . 1 1 71 71 T CB C 71 71.200 70.346 0.854
8985 20 . 1 1 71 71 T H H 71 8.520 8.852 -0.332
8986 20 . 1 1 72 72 V N N 72 122.600 126.599 -3.999
8987 20 . 1 1 72 72 V HA H 72 5.330 5.273 0.057
8988 20 . 1 1 72 72 V C C 72 173.200 174.503 -1.303
8989 20 . 1 1 72 72 V CA C 72 59.200 59.557 -0.357
8990 20 . 1 1 72 72 V CB C 72 35.800 34.569 1.231
8991 20 . 1 1 72 72 V H H 72 8.720 8.895 -0.175
8992 20 . 1 1 73 73 T N N 73 119.300 119.330 -0.030
8993 20 . 1 1 73 73 T HA H 73 4.410 5.374 -0.964
8994 20 . 1 1 73 73 T CA C 73 60.100 59.539 0.561
8995 20 . 1 1 73 73 T CB C 73 71.800 71.609 0.191
8996 20 . 1 1 73 73 T H H 73 8.430 8.888 -0.458
8997 20 . 1 1 74 74 Y N N 74 118.100 118.937 -0.837
8998 20 . 1 1 74 74 Y HA H 74 5.530 5.618 -0.088
8999 20 . 1 1 74 74 Y CA C 74 55.900 55.611 0.289
9000 20 . 1 1 74 74 Y CB C 74 41.600 42.324 -0.724
9001 20 . 1 1 74 74 Y H H 74 8.120 8.791 -0.671
9002 20 . 1 1 75 75 T N N 75 115.000 114.509 0.491
9003 20 . 1 1 75 75 T HA H 75 4.590 4.940 -0.350
9004 20 . 1 1 75 75 T CA C 75 60.700 61.673 -0.973
9005 20 . 1 1 75 75 T CB C 75 71.700 71.235 0.465
9006 20 . 1 1 75 75 T H H 75 8.810 9.055 -0.245
9007 20 . 1 1 76 76 I N N 76 124.400 128.275 -3.875
9008 20 . 1 1 76 76 I HA H 76 4.800 4.833 -0.033
9009 20 . 1 1 76 76 I C C 76 175.300 174.813 0.487
9010 20 . 1 1 76 76 I CA C 76 59.900 60.112 -0.212
9011 20 . 1 1 76 76 I CB C 76 39.500 39.380 0.120
9012 20 . 1 1 76 76 I H H 76 8.650 9.241 -0.591
9013 20 . 1 1 77 77 R N N 77 125.900 127.333 -1.433
9014 20 . 1 1 77 77 R HA H 77 4.570 4.854 -0.284
9015 20 . 1 1 77 77 R CA C 77 55.100 54.913 0.187
9016 20 . 1 1 77 77 R CB C 77 32.500 31.425 1.075
9017 20 . 1 1 77 77 R H H 77 8.680 9.190 -0.510
9018 20 . 1 1 78 78 L N N 78 124.400 127.206 -2.806
9019 20 . 1 1 78 78 L HA H 78 4.320 5.044 -0.724
9020 20 . 1 1 78 78 L C C 78 177.000 175.105 1.895
9021 20 . 1 1 78 78 L CA C 78 55.200 53.455 1.745
9022 20 . 1 1 78 78 L CB C 78 42.200 45.982 -3.782
9023 20 . 1 1 78 78 L H H 78 8.500 9.009 -0.509
9024 20 . 1 1 79 79 E N N 79 121.300 125.699 -4.399
9025 20 . 1 1 79 79 E HA H 79 4.150 4.296 -0.146
9026 20 . 1 1 79 79 E C C 79 173.700 176.373 -2.673
9027 20 . 1 1 79 79 E CA C 79 55.400 55.779 -0.379
9028 20 . 1 1 79 79 E CB C 79 30.100 29.044 1.056
9029 20 . 1 1 79 79 E H H 79 8.310 8.505 -0.195
9030 20 . 1 1 80 80 H N N 80 125.300 124.432 0.868
9031 20 . 1 1 80 80 H HA H 80 4.580 4.735 -0.155
9032 20 . 1 1 80 80 H CA C 80 57.100 55.005 2.095
9033 20 . 1 1 80 80 H CB C 80 30.300 30.692 -0.392
9034 20 . 1 1 80 80 H H H 80 8.090 8.283 -0.193
stop_
loop_
_SPARTA_ouput.Data_ID
_SPARTA_ouput.Conformer_ID
_SPARTA_ouput.Data_type
_SPARTA_ouput.Data_atom
_SPARTA_ouput.Data_num_shifts
_SPARTA_ouput.Data_value
1 1 "Std.dev. of prediction error" N . 2.22853
2 1 "Average of prediction error" N . 1.10285
3 1 "RMS(OBS, PRED)" N 78 2.48966
4 1 "RMS(OBS, PRED)" HA 83 0.33562
5 1 "Std.dev. of prediction error" C . 0.93255
6 1 "Average of prediction error" C . 0.38799
7 1 "RMS(OBS, PRED)" C 67 1.01117
8 1 "RMS(OBS, PRED)" CA 79 1.14903
9 1 "RMS(OBS, PRED)" CB 75 1.08952
10 1 "Std.dev. of prediction error" H . 0.39175
11 1 "Average of prediction error" H . 0.13516
12 1 "RMS(OBS, PRED)" H 78 0.41469
13 2 "Std.dev. of prediction error" N . 2.20714
14 2 "Average of prediction error" N . 0.75751
15 2 "RMS(OBS, PRED)" N 78 2.33511
16 2 "RMS(OBS, PRED)" HA 83 0.33570
17 2 "Std.dev. of prediction error" C . 0.91024
18 2 "Average of prediction error" C . 0.39085
19 2 "RMS(OBS, PRED)" C 67 0.99178
20 2 "RMS(OBS, PRED)" CA 79 1.07685
21 2 "RMS(OBS, PRED)" CB 75 1.00566
22 2 "RMS(OBS, PRED)" H 78 0.43939
23 3 "RMS(OBS, PRED)" N 78 2.46664
24 3 "RMS(OBS, PRED)" HA 83 0.30837
25 3 "Std.dev. of prediction error" C . 0.85937
26 3 "Average of prediction error" C . 0.33727
27 3 "RMS(OBS, PRED)" C 67 0.92412
28 3 "RMS(OBS, PRED)" CA 79 1.03055
29 3 "RMS(OBS, PRED)" CB 75 1.01793
30 3 "RMS(OBS, PRED)" H 78 0.41720
31 4 "Std.dev. of prediction error" N . 2.09821
32 4 "Average of prediction error" N . 0.86460
33 4 "RMS(OBS, PRED)" N 78 2.27150
34 4 "RMS(OBS, PRED)" HA 83 0.31365
35 4 "Std.dev. of prediction error" C . 0.96209
36 4 "Average of prediction error" C . 0.39518
37 4 "RMS(OBS, PRED)" C 67 1.04123
38 4 "RMS(OBS, PRED)" CA 79 0.96272
39 4 "RMS(OBS, PRED)" CB 75 0.85995
40 4 "RMS(OBS, PRED)" H 78 0.37906
41 5 "Std.dev. of prediction error" N . 2.38609
42 5 "Average of prediction error" N . 0.98556
43 5 "RMS(OBS, PRED)" N 78 2.58406
44 5 "RMS(OBS, PRED)" HA 83 0.35244
45 5 "Std.dev. of prediction error" C . 0.96437
46 5 "Average of prediction error" C . 0.42012
47 5 "RMS(OBS, PRED)" C 67 1.05318
48 5 "RMS(OBS, PRED)" CA 79 1.05752
49 5 "RMS(OBS, PRED)" CB 75 1.01356
50 5 "RMS(OBS, PRED)" H 78 0.40373
51 6 "RMS(OBS, PRED)" N 78 2.61446
52 6 "RMS(OBS, PRED)" HA 83 0.31396
53 6 "RMS(OBS, PRED)" C 67 0.90403
54 6 "RMS(OBS, PRED)" CA 79 0.93629
55 6 "RMS(OBS, PRED)" CB 75 1.09047
56 6 "RMS(OBS, PRED)" H 78 0.37742
57 7 "RMS(OBS, PRED)" N 78 2.17450
58 7 "RMS(OBS, PRED)" HA 83 0.31684
59 7 "Std.dev. of prediction error" C . 0.96329
60 7 "Average of prediction error" C . 0.41224
61 7 "RMS(OBS, PRED)" C 67 1.04902
62 7 "RMS(OBS, PRED)" CA 79 1.00917
63 7 "RMS(OBS, PRED)" CB 75 1.00419
64 7 "RMS(OBS, PRED)" H 78 0.35503
65 8 "Std.dev. of prediction error" N . 2.09351
66 8 "Average of prediction error" N . 1.08119
67 8 "RMS(OBS, PRED)" N 78 2.35943
68 8 "RMS(OBS, PRED)" HA 83 0.30598
69 8 "RMS(OBS, PRED)" C 67 1.06891
70 8 "RMS(OBS, PRED)" CA 79 1.09917
71 8 "RMS(OBS, PRED)" CB 75 1.12705
72 8 "RMS(OBS, PRED)" H 78 0.40390
73 9 "RMS(OBS, PRED)" N 78 2.21777
74 9 "RMS(OBS, PRED)" HA 83 0.34176
75 9 "RMS(OBS, PRED)" C 67 0.90405
76 9 "RMS(OBS, PRED)" CA 79 0.94738
77 9 "RMS(OBS, PRED)" CB 75 0.94378
78 9 "RMS(OBS, PRED)" H 78 0.42849
79 10 "RMS(OBS, PRED)" N 78 2.10792
80 10 "RMS(OBS, PRED)" HA 83 0.31808
81 10 "RMS(OBS, PRED)" C 67 1.04827
82 10 "RMS(OBS, PRED)" CA 79 1.04121
83 10 "RMS(OBS, PRED)" CB 75 0.92343
84 10 "RMS(OBS, PRED)" H 78 0.37235
85 11 "Std.dev. of prediction error" N . 1.98679
86 11 "Average of prediction error" N . 1.06633
87 11 "RMS(OBS, PRED)" N 78 2.25814
88 11 "RMS(OBS, PRED)" HA 83 0.32695
89 11 "RMS(OBS, PRED)" C 67 0.98090
90 11 "RMS(OBS, PRED)" CA 79 1.02890
91 11 "RMS(OBS, PRED)" CB 75 0.96613
92 11 "RMS(OBS, PRED)" H 78 0.40064
93 12 "Std.dev. of prediction error" N . 2.44119
94 12 "Average of prediction error" N . 0.86100
95 12 "RMS(OBS, PRED)" N 78 2.59044
96 12 "Std.dev. of prediction error" HA . 0.31987
97 12 "Average of prediction error" HA . 0.11541
98 12 "RMS(OBS, PRED)" HA 83 0.34029
99 12 "RMS(OBS, PRED)" C 67 0.91815
100 12 "RMS(OBS, PRED)" CA 79 1.08368
101 12 "RMS(OBS, PRED)" CB 75 1.01747
102 12 "Std.dev. of prediction error" H . 0.36951
103 12 "Average of prediction error" H . 0.15975
104 12 "RMS(OBS, PRED)" H 78 0.40297
105 13 "Std.dev. of prediction error" N . 1.80023
106 13 "Average of prediction error" N . 0.70406
107 13 "RMS(OBS, PRED)" N 78 1.93468
108 13 "RMS(OBS, PRED)" HA 83 0.30823
109 13 "RMS(OBS, PRED)" C 67 0.99258
110 13 "RMS(OBS, PRED)" CA 79 0.86574
111 13 "RMS(OBS, PRED)" CB 75 0.92741
112 13 "RMS(OBS, PRED)" H 78 0.41382
113 14 "Std.dev. of prediction error" N . 2.23851
114 14 "Average of prediction error" N . 0.94053
115 14 "RMS(OBS, PRED)" N 78 2.43043
116 14 "RMS(OBS, PRED)" HA 83 0.32116
117 14 "RMS(OBS, PRED)" C 67 1.00894
118 14 "RMS(OBS, PRED)" CA 79 1.00284
119 14 "RMS(OBS, PRED)" CB 75 1.00329
120 14 "Std.dev. of prediction error" H . 0.38362
121 14 "Average of prediction error" H . 0.14124
122 14 "RMS(OBS, PRED)" H 78 0.40912
123 15 "Std.dev. of prediction error" N . 2.11788
124 15 "Average of prediction error" N . 0.94237
125 15 "RMS(OBS, PRED)" N 78 2.32056
126 15 "RMS(OBS, PRED)" HA 83 0.31692
127 15 "Std.dev. of prediction error" C . 0.95108
128 15 "Average of prediction error" C . 0.42625
129 15 "RMS(OBS, PRED)" C 67 1.04355
130 15 "RMS(OBS, PRED)" CA 79 1.07325
131 15 "RMS(OBS, PRED)" CB 75 0.90979
132 15 "RMS(OBS, PRED)" H 78 0.38661
133 16 "Std.dev. of prediction error" N . 2.12039
134 16 "Average of prediction error" N . 1.11530
135 16 "RMS(OBS, PRED)" N 78 2.39918
136 16 "RMS(OBS, PRED)" HA 83 0.33809
137 16 "RMS(OBS, PRED)" C 67 0.89562
138 16 "RMS(OBS, PRED)" CA 79 1.03854
139 16 "RMS(OBS, PRED)" CB 75 1.14906
140 16 "RMS(OBS, PRED)" H 78 0.39376
141 17 "RMS(OBS, PRED)" N 78 2.21142
142 17 "RMS(OBS, PRED)" HA 83 0.31553
143 17 "RMS(OBS, PRED)" C 67 1.04814
144 17 "RMS(OBS, PRED)" CA 79 0.95866
145 17 "RMS(OBS, PRED)" CB 75 0.94450
146 17 "RMS(OBS, PRED)" H 78 0.39866
147 18 "Std.dev. of prediction error" N . 2.02666
148 18 "Average of prediction error" N . 1.10354
149 18 "RMS(OBS, PRED)" N 78 2.31105
150 18 "RMS(OBS, PRED)" HA 83 0.31052
151 18 "Std.dev. of prediction error" C . 1.00288
152 18 "Average of prediction error" C . 0.45442
153 18 "RMS(OBS, PRED)" C 67 1.10245
154 18 "RMS(OBS, PRED)" CA 79 1.11168
155 18 "RMS(OBS, PRED)" CB 75 1.12606
156 18 "RMS(OBS, PRED)" H 78 0.41738
157 19 "Std.dev. of prediction error" N . 1.82127
158 19 "Average of prediction error" N . 0.99244
159 19 "RMS(OBS, PRED)" N 78 2.07720
160 19 "RMS(OBS, PRED)" HA 83 0.32487
161 19 "RMS(OBS, PRED)" C 67 0.97346
162 19 "RMS(OBS, PRED)" CA 79 1.00997
163 19 "RMS(OBS, PRED)" CB 75 1.01785
164 19 "RMS(OBS, PRED)" H 78 0.42188
165 20 "Std.dev. of prediction error" N . 1.82123
166 20 "Average of prediction error" N . 0.88754
167 20 "RMS(OBS, PRED)" N 78 2.02850
168 20 "RMS(OBS, PRED)" HA 83 0.30940
169 20 "Std.dev. of prediction error" C . 0.94722
170 20 "Average of prediction error" C . 0.39851
171 20 "RMS(OBS, PRED)" C 67 1.02881
172 20 "RMS(OBS, PRED)" CA 79 0.99116
173 20 "RMS(OBS, PRED)" CB 75 0.94978
174 20 "Std.dev. of prediction error" H . 0.38143
175 20 "Average of prediction error" H . 0.14101
176 20 "RMS(OBS, PRED)" H 78 0.40698
stop_
save_
save_delta_chem_shifts
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts
_Entity_delta_chem_shifts.Model_type "average"
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
1 . 1 1 2 2 E N N 2 121.100 124.582 -3.482
2 . 1 1 2 2 E HA H 2 5.260 5.165 0.095
3 . 1 1 2 2 E C C 2 174.300 174.981 -0.681
4 . 1 1 2 2 E CA C 2 54.300 54.953 -0.653
5 . 1 1 2 2 E CB C 2 32.400 33.117 -0.717
6 . 1 1 2 2 E H H 2 8.720 8.771 -0.051
7 . 1 1 3 3 M N N 3 122.600 122.559 0.041
8 . 1 1 3 3 M HA H 3 5.120 5.147 -0.027
9 . 1 1 3 3 M C C 3 172.600 173.971 -1.371
10 . 1 1 3 3 M CA C 3 54.600 54.129 0.471
11 . 1 1 3 3 M CB C 3 37.000 35.311 1.689
12 . 1 1 3 3 M H H 3 8.990 8.871 0.119
13 . 1 1 4 4 D N N 4 126.300 125.961 0.339
14 . 1 1 4 4 D HA H 4 5.650 5.158 0.492
15 . 1 1 4 4 D C C 4 175.000 175.182 -0.182
16 . 1 1 4 4 D CA C 4 52.600 53.596 -0.996
17 . 1 1 4 4 D CB C 4 41.800 41.995 -0.195
18 . 1 1 4 4 D H H 4 8.810 9.071 -0.261
19 . 1 1 5 5 I N N 5 124.600 125.630 -1.030
20 . 1 1 5 5 I HA H 5 4.470 4.782 -0.312
21 . 1 1 5 5 I C C 5 173.600 174.844 -1.244
22 . 1 1 5 5 I CA C 5 60.500 60.231 0.269
23 . 1 1 5 5 I CB C 5 41.100 39.944 1.156
24 . 1 1 5 5 I H H 5 9.520 9.219 0.301
25 . 1 1 6 6 R N N 6 127.500 126.593 0.907
26 . 1 1 6 6 R HA H 6 5.410 5.290 0.120
27 . 1 1 6 6 R C C 6 175.300 174.906 0.394
28 . 1 1 6 6 R CA C 6 54.400 54.766 -0.366
29 . 1 1 6 6 R CB C 6 32.500 32.056 0.444
30 . 1 1 6 6 R H H 6 8.970 9.015 -0.045
31 . 1 1 7 7 F N N 7 125.400 123.497 1.903
32 . 1 1 7 7 F HA H 7 5.720 5.072 0.648
33 . 1 1 7 7 F C C 7 174.800 174.894 -0.094
34 . 1 1 7 7 F CA C 7 56.000 57.282 -1.282
35 . 1 1 7 7 F CB C 7 42.300 41.101 1.199
36 . 1 1 7 7 F H H 7 9.530 9.162 0.368
37 . 1 1 8 8 R N N 8 121.100 122.921 -1.821
38 . 1 1 8 8 R HA H 8 5.700 5.428 0.272
39 . 1 1 8 8 R C C 8 175.400 175.355 0.045
40 . 1 1 8 8 R CA C 8 54.500 54.921 -0.421
41 . 1 1 8 8 R CB C 8 33.800 33.592 0.208
42 . 1 1 8 8 R H H 8 8.770 9.303 -0.533
43 . 1 1 9 9 G N N 9 111.500 112.693 -1.193
44 . 1 1 9 9 G C C 9 171.200 173.020 -1.820
45 . 1 1 9 9 G CA C 9 45.200 45.584 -0.384
46 . 1 1 9 9 G H H 9 8.630 8.387 0.243
47 . 1 1 10 10 D N N 10 117.300 120.090 -2.790
48 . 1 1 10 10 D HA H 10 4.710 4.812 -0.102
49 . 1 1 10 10 D C C 10 175.300 175.629 -0.329
50 . 1 1 10 10 D CA C 10 53.400 54.423 -1.023
51 . 1 1 10 10 D CB C 10 41.400 41.657 -0.257
52 . 1 1 10 10 D H H 10 8.230 8.668 -0.438
53 . 1 1 11 11 D N N 11 119.000 120.858 -1.858
54 . 1 1 11 11 D HA H 11 4.690 4.742 -0.052
55 . 1 1 11 11 D C C 11 175.500 176.080 -0.580
56 . 1 1 11 11 D CA C 11 52.600 54.006 -1.406
57 . 1 1 11 11 D CB C 11 41.500 41.984 -0.484
58 . 1 1 11 11 D H H 11 7.400 7.779 -0.379
59 . 1 1 12 12 L N N 12 125.800 126.089 -0.289
60 . 1 1 12 12 L HA H 12 3.850 4.193 -0.343
61 . 1 1 12 12 L C C 12 179.100 178.458 0.642
62 . 1 1 12 12 L CA C 12 57.800 57.962 -0.162
63 . 1 1 12 12 L CB C 12 41.700 41.942 -0.242
64 . 1 1 12 12 L H H 12 8.520 8.601 -0.081
65 . 1 1 13 13 E N N 13 119.800 118.406 1.394
66 . 1 1 13 13 E HA H 13 3.980 3.996 -0.016
67 . 1 1 13 13 E C C 13 178.600 178.947 -0.347
68 . 1 1 13 13 E CA C 13 59.300 59.354 -0.054
69 . 1 1 13 13 E CB C 13 29.100 28.952 0.148
70 . 1 1 13 13 E H H 13 8.140 8.354 -0.214
71 . 1 1 14 14 A N N 14 122.200 122.336 -0.136
72 . 1 1 14 14 A HA H 14 3.380 3.019 0.361
73 . 1 1 14 14 A C C 14 179.300 179.176 0.124
74 . 1 1 14 14 A CA C 14 54.400 54.283 0.117
75 . 1 1 14 14 A CB C 14 18.700 17.733 0.967
76 . 1 1 14 14 A H H 14 7.460 7.739 -0.279
77 . 1 1 15 15 F N N 15 115.400 118.560 -3.160
78 . 1 1 15 15 F HA H 15 3.850 3.956 -0.106
79 . 1 1 15 15 F C C 15 177.000 177.377 -0.377
80 . 1 1 15 15 F CA C 15 57.700 61.256 -3.556
81 . 1 1 15 15 F CB C 15 37.500 39.047 -1.547
82 . 1 1 15 15 F H H 15 7.380 7.803 -0.423
83 . 1 1 16 16 E N N 16 118.800 118.585 0.215
84 . 1 1 16 16 E HA H 16 3.660 3.641 0.019
85 . 1 1 16 16 E C C 16 178.700 178.683 0.017
86 . 1 1 16 16 E CA C 16 59.800 59.412 0.388
87 . 1 1 16 16 E CB C 16 29.100 29.096 0.004
88 . 1 1 16 16 E H H 16 7.990 8.192 -0.202
89 . 1 1 17 17 K N N 17 118.200 119.056 -0.856
90 . 1 1 17 17 K HA H 17 3.780 3.950 -0.170
91 . 1 1 17 17 K C C 17 179.000 178.812 0.188
92 . 1 1 17 17 K CA C 17 59.600 59.307 0.293
93 . 1 1 17 17 K CB C 17 32.400 32.298 0.102
94 . 1 1 17 17 K H H 17 7.550 7.977 -0.427
95 . 1 1 18 18 A N N 18 122.400 121.800 0.600
96 . 1 1 18 18 A HA H 18 3.890 3.885 0.005
97 . 1 1 18 18 A C C 18 178.900 179.668 -0.768
98 . 1 1 18 18 A CA C 18 54.800 54.824 -0.024
99 . 1 1 18 18 A CB C 18 17.100 17.732 -0.632
100 . 1 1 18 18 A H H 18 8.060 7.555 0.505
101 . 1 1 19 19 L N N 19 118.700 119.251 -0.551
102 . 1 1 19 19 L HA H 19 3.690 3.899 -0.209
103 . 1 1 19 19 L C C 19 177.700 178.157 -0.457
104 . 1 1 19 19 L CA C 19 57.900 57.401 0.499
105 . 1 1 19 19 L CB C 19 41.700 41.340 0.360
106 . 1 1 19 19 L H H 19 8.280 7.545 0.735
107 . 1 1 20 20 K N N 20 116.600 118.692 -2.092
108 . 1 1 20 20 K HA H 20 3.780 3.808 -0.028
109 . 1 1 20 20 K C C 20 179.700 178.703 0.997
110 . 1 1 20 20 K CA C 20 60.000 59.659 0.341
111 . 1 1 20 20 K CB C 20 32.400 32.192 0.208
112 . 1 1 20 20 K H H 20 7.760 8.113 -0.353
113 . 1 1 21 21 E N N 21 118.700 119.065 -0.365
114 . 1 1 21 21 E HA H 21 4.300 4.030 0.270
115 . 1 1 21 21 E C C 21 178.500 179.583 -1.083
116 . 1 1 21 21 E CA C 21 58.400 59.423 -1.023
117 . 1 1 21 21 E CB C 21 29.100 29.405 -0.305
118 . 1 1 21 21 E H H 21 7.750 8.028 -0.278
119 . 1 1 22 22 M N N 22 119.100 119.157 -0.057
120 . 1 1 22 22 M HA H 22 4.390 4.184 0.206
121 . 1 1 22 22 M C C 22 178.800 178.811 -0.011
122 . 1 1 22 22 M CA C 22 57.300 58.665 -1.365
123 . 1 1 22 22 M CB C 22 31.200 32.933 -1.733
124 . 1 1 22 22 M H H 22 8.300 7.946 0.354
125 . 1 1 23 23 I N N 23 120.200 119.388 0.812
126 . 1 1 23 23 I HA H 23 3.550 3.643 -0.093
127 . 1 1 23 23 I C C 23 177.600 177.889 -0.289
128 . 1 1 23 23 I CA C 23 66.100 64.899 1.201
129 . 1 1 23 23 I CB C 23 37.700 37.409 0.291
130 . 1 1 23 23 I H H 23 8.460 8.077 0.383
131 . 1 1 24 24 R N N 24 120.200 120.840 -0.640
132 . 1 1 24 24 R HA H 24 3.890 3.873 0.017
133 . 1 1 24 24 R C C 24 179.400 178.848 0.552
134 . 1 1 24 24 R CA C 24 59.900 59.899 0.001
135 . 1 1 24 24 R CB C 24 30.200 29.973 0.227
136 . 1 1 24 24 R H H 24 7.720 8.271 -0.551
137 . 1 1 25 25 Q N N 25 117.100 118.340 -1.240
138 . 1 1 25 25 Q HA H 25 3.930 4.045 -0.115
139 . 1 1 25 25 Q C C 25 177.600 178.600 -1.000
140 . 1 1 25 25 Q CA C 25 58.000 58.687 -0.687
141 . 1 1 25 25 Q CB C 25 27.800 28.478 -0.678
142 . 1 1 25 25 Q H H 25 8.190 7.949 0.241
143 . 1 1 26 26 A N N 26 120.300 122.601 -2.301
144 . 1 1 26 26 A HA H 26 3.690 4.273 -0.583
145 . 1 1 26 26 A C C 26 179.400 179.943 -0.543
146 . 1 1 26 26 A CA C 26 54.200 55.175 -0.975
147 . 1 1 26 26 A CB C 26 18.300 18.410 -0.110
148 . 1 1 26 26 A H H 26 8.240 8.374 -0.134
149 . 1 1 27 27 R N N 27 117.500 117.648 -0.148
150 . 1 1 27 27 R HA H 27 4.070 4.113 -0.043
151 . 1 1 27 27 R C C 27 178.900 178.581 0.319
152 . 1 1 27 27 R CA C 27 58.500 59.401 -0.901
153 . 1 1 27 27 R CB C 27 29.700 29.910 -0.210
154 . 1 1 27 27 R H H 27 8.080 8.160 -0.080
155 . 1 1 28 28 K N N 28 119.100 117.866 1.234
156 . 1 1 28 28 K HA H 28 4.000 4.030 -0.030
157 . 1 1 28 28 K C C 28 176.900 176.244 0.656
158 . 1 1 28 28 K CA C 28 58.600 58.072 0.528
159 . 1 1 28 28 K CB C 28 32.100 32.350 -0.250
160 . 1 1 28 28 K H H 28 7.520 7.608 -0.088
161 . 1 1 29 29 F N N 29 114.500 117.341 -2.841
162 . 1 1 29 29 F HA H 29 4.930 4.855 0.075
163 . 1 1 29 29 F C C 29 173.600 175.355 -1.755
164 . 1 1 29 29 F CA C 29 55.800 57.193 -1.393
165 . 1 1 29 29 F CB C 29 39.000 41.223 -2.223
166 . 1 1 29 29 F H H 29 7.010 7.760 -0.750
167 . 1 1 30 30 A N N 30 121.600 123.440 -1.840
168 . 1 1 30 30 A HA H 30 4.130 4.421 -0.291
169 . 1 1 30 30 A C C 30 176.700 177.145 -0.445
170 . 1 1 30 30 A CA C 30 52.900 52.169 0.731
171 . 1 1 30 30 A CB C 30 17.000 18.462 -1.462
172 . 1 1 30 30 A H H 30 7.830 8.550 -0.720
173 . 1 1 31 31 G N N 31 105.400 107.477 -2.077
174 . 1 1 31 31 G C C 31 173.100 172.485 0.615
175 . 1 1 31 31 G CA C 31 45.100 45.260 -0.160
176 . 1 1 31 31 G H H 31 7.950 8.177 -0.227
177 . 1 1 32 32 T N N 32 115.700 117.455 -1.755
178 . 1 1 32 32 T HA H 32 4.580 4.911 -0.331
179 . 1 1 32 32 T C C 32 173.100 173.856 -0.756
180 . 1 1 32 32 T CA C 32 61.900 62.252 -0.352
181 . 1 1 32 32 T CB C 32 70.500 70.499 0.001
182 . 1 1 32 32 T H H 32 8.220 8.782 -0.562
183 . 1 1 33 33 V N N 33 125.300 127.479 -2.179
184 . 1 1 33 33 V HA H 33 5.150 4.929 0.221
185 . 1 1 33 33 V C C 33 175.300 174.888 0.412
186 . 1 1 33 33 V CA C 33 60.800 60.928 -0.128
187 . 1 1 33 33 V CB C 33 34.300 33.607 0.693
188 . 1 1 33 33 V H H 33 8.610 8.971 -0.361
189 . 1 1 34 34 T N N 34 120.200 121.374 -1.174
190 . 1 1 34 34 T HA H 34 4.670 5.246 -0.576
191 . 1 1 34 34 T CA C 34 60.200 59.632 0.568
192 . 1 1 34 34 T CB C 34 71.600 71.728 -0.128
193 . 1 1 34 34 T H H 34 8.890 8.968 -0.078
194 . 1 1 35 35 Y N N 35 118.100 120.653 -2.553
195 . 1 1 35 35 Y HA H 35 5.720 6.020 -0.300
196 . 1 1 35 35 Y C C 35 174.400 172.946 1.454
197 . 1 1 35 35 Y CA C 35 56.200 55.903 0.297
198 . 1 1 35 35 Y CB C 35 41.800 41.917 -0.117
199 . 1 1 35 35 Y H H 35 8.360 8.712 -0.352
200 . 1 1 36 36 T N N 36 115.200 114.725 0.475
201 . 1 1 36 36 T HA H 36 4.400 5.103 -0.703
202 . 1 1 36 36 T CA C 36 60.200 60.236 -0.036
203 . 1 1 36 36 T CB C 36 71.800 71.524 0.276
204 . 1 1 36 36 T H H 36 9.020 9.030 -0.010
205 . 1 1 37 37 L N N 37 129.300 127.760 1.540
206 . 1 1 37 37 L HA H 37 5.020 5.056 -0.036
207 . 1 1 37 37 L C C 37 174.900 175.152 -0.252
208 . 1 1 37 37 L CA C 37 54.400 53.796 0.604
209 . 1 1 37 37 L CB C 37 43.800 43.363 0.437
210 . 1 1 37 37 L H H 37 8.850 8.987 -0.137
211 . 1 1 38 38 D N N 38 127.200 125.080 2.120
212 . 1 1 38 38 D HA H 38 4.850 4.902 -0.052
213 . 1 1 38 38 D CA C 38 53.000 52.643 0.357
214 . 1 1 38 38 D CB C 38 42.300 41.834 0.466
215 . 1 1 38 38 D H H 38 8.740 8.815 -0.075
216 . 1 1 39 39 G N N 39 114.000 115.790 -1.790
217 . 1 1 39 39 G C C 39 174.000 174.617 -0.617
218 . 1 1 39 39 G CA C 39 47.400 47.294 0.106
219 . 1 1 39 39 G H H 39 8.700 8.932 -0.232
220 . 1 1 40 40 N N N 40 124.400 123.444 0.956
221 . 1 1 40 40 N HA H 40 5.070 4.885 0.185
222 . 1 1 40 40 N C C 40 173.100 174.268 -1.168
223 . 1 1 40 40 N CA C 40 53.200 52.788 0.412
224 . 1 1 40 40 N CB C 40 39.300 39.275 0.025
225 . 1 1 40 40 N H H 40 8.740 8.559 0.181
226 . 1 1 41 41 D N N 41 118.500 119.567 -1.067
227 . 1 1 41 41 D HA H 41 5.410 5.237 0.173
228 . 1 1 41 41 D C C 41 173.600 174.551 -0.951
229 . 1 1 41 41 D CA C 41 53.700 53.095 0.605
230 . 1 1 41 41 D CB C 41 43.800 43.480 0.320
231 . 1 1 41 41 D H H 41 7.980 7.844 0.136
232 . 1 1 42 42 L N N 42 125.100 125.875 -0.775
233 . 1 1 42 42 L HA H 42 4.960 5.098 -0.138
234 . 1 1 42 42 L C C 42 173.600 174.952 -1.352
235 . 1 1 42 42 L CA C 42 53.400 53.949 -0.549
236 . 1 1 42 42 L CB C 42 43.700 44.675 -0.975
237 . 1 1 42 42 L H H 42 8.520 9.224 -0.704
238 . 1 1 43 43 E N N 43 127.800 127.147 0.653
239 . 1 1 43 43 E HA H 43 5.280 4.843 0.437
240 . 1 1 43 43 E C C 43 174.900 175.480 -0.580
241 . 1 1 43 43 E CA C 43 54.500 55.942 -1.442
242 . 1 1 43 43 E CB C 43 32.000 30.700 1.300
243 . 1 1 43 43 E H H 43 8.990 9.083 -0.093
244 . 1 1 44 44 I N N 44 126.300 127.373 -1.073
245 . 1 1 44 44 I HA H 44 4.760 4.967 -0.207
246 . 1 1 44 44 I C C 44 173.800 174.525 -0.725
247 . 1 1 44 44 I CA C 44 60.000 60.432 -0.432
248 . 1 1 44 44 I CB C 44 41.200 39.513 1.687
249 . 1 1 44 44 I H H 44 9.590 9.329 0.261
250 . 1 1 45 45 R N N 45 127.800 128.630 -0.830
251 . 1 1 45 45 R HA H 45 5.250 5.189 0.061
252 . 1 1 45 45 R C C 45 175.300 174.756 0.544
253 . 1 1 45 45 R CA C 45 55.000 54.844 0.156
254 . 1 1 45 45 R CB C 45 31.700 32.545 -0.845
255 . 1 1 45 45 R H H 45 9.130 9.413 -0.283
256 . 1 1 46 46 I N N 46 125.800 128.002 -2.203
257 . 1 1 46 46 I HA H 46 5.150 4.942 0.208
258 . 1 1 46 46 I C C 46 175.600 174.964 0.636
259 . 1 1 46 46 I CA C 46 60.100 60.141 -0.041
260 . 1 1 46 46 I CB C 46 39.900 39.194 0.706
261 . 1 1 46 46 I H H 46 9.180 9.084 0.096
262 . 1 1 47 47 T N N 47 118.800 121.633 -2.833
263 . 1 1 47 47 T HA H 47 5.010 4.776 0.234
264 . 1 1 47 47 T C C 47 174.300 175.233 -0.933
265 . 1 1 47 47 T CA C 47 60.100 61.279 -1.179
266 . 1 1 47 47 T CB C 47 70.900 70.691 0.209
267 . 1 1 47 47 T H H 47 9.020 8.981 0.039
268 . 1 1 48 48 G N N 48 109.000 114.586 -5.586
269 . 1 1 48 48 G C C 48 174.700 174.086 0.614
270 . 1 1 48 48 G CA C 48 46.200 46.165 0.035
271 . 1 1 48 48 G H H 48 8.350 8.660 -0.310
272 . 1 1 49 49 V N N 49 114.200 115.824 -1.624
273 . 1 1 49 49 V HA H 49 4.260 4.452 -0.192
274 . 1 1 49 49 V CA C 49 58.200 58.944 -0.744
275 . 1 1 49 49 V CB C 49 32.500 33.046 -0.546
276 . 1 1 49 49 V H H 49 7.760 7.482 0.278
277 . 1 1 50 50 P HA H 50 4.580 4.597 -0.017
278 . 1 1 50 50 P C C 50 177.200 177.506 -0.306
279 . 1 1 50 50 P CA C 50 61.800 62.502 -0.702
280 . 1 1 50 50 P CB C 50 32.500 32.475 0.025
281 . 1 1 51 51 E N N 51 123.400 122.911 0.489
282 . 1 1 51 51 E HA H 51 4.000 4.002 -0.002
283 . 1 1 51 51 E C C 51 178.500 178.566 -0.066
284 . 1 1 51 51 E CA C 51 59.500 59.448 0.052
285 . 1 1 51 51 E CB C 51 29.300 29.217 0.083
286 . 1 1 51 51 E H H 51 8.890 8.769 0.121
287 . 1 1 52 52 Q N N 52 115.200 118.087 -2.887
288 . 1 1 52 52 Q HA H 52 4.100 4.074 0.026
289 . 1 1 52 52 Q C C 52 177.300 177.499 -0.199
290 . 1 1 52 52 Q CA C 52 58.600 58.411 0.189
291 . 1 1 52 52 Q CB C 52 27.700 28.029 -0.329
292 . 1 1 52 52 Q H H 52 8.910 8.363 0.547
293 . 1 1 53 53 V N N 53 114.900 120.448 -5.548
294 . 1 1 53 53 V HA H 53 4.120 3.767 0.353
295 . 1 1 53 53 V C C 53 176.100 177.445 -1.345
296 . 1 1 53 53 V CA C 53 62.100 65.602 -3.502
297 . 1 1 53 53 V CB C 53 31.900 31.409 0.491
298 . 1 1 53 53 V H H 53 7.080 7.522 -0.442
299 . 1 1 54 54 R N N 54 121.500 121.073 0.427
300 . 1 1 54 54 R HA H 54 3.620 3.893 -0.273
301 . 1 1 54 54 R C C 54 177.100 178.542 -1.442
302 . 1 1 54 54 R CA C 54 60.400 59.554 0.846
303 . 1 1 54 54 R CB C 54 29.700 29.889 -0.189
304 . 1 1 54 54 R H H 54 7.510 8.044 -0.534
305 . 1 1 55 55 K N N 55 116.800 117.972 -1.172
306 . 1 1 55 55 K HA H 55 3.890 4.022 -0.132
307 . 1 1 55 55 K C C 55 176.000 179.315 -3.315
308 . 1 1 55 55 K CA C 55 59.600 59.561 0.039
309 . 1 1 55 55 K CB C 55 31.800 32.179 -0.379
310 . 1 1 55 55 K H H 55 8.170 7.865 0.305
311 . 1 1 56 56 E N N 56 120.200 119.910 0.290
312 . 1 1 56 56 E HA H 56 4.050 4.067 -0.017
313 . 1 1 56 56 E CA C 56 59.100 58.993 0.107
314 . 1 1 56 56 E CB C 56 29.200 29.583 -0.383
315 . 1 1 56 56 E H H 56 7.600 7.873 -0.273
316 . 1 1 57 57 L N N 57 120.200 120.443 -0.243
317 . 1 1 57 57 L HA H 57 3.970 3.993 -0.023
318 . 1 1 57 57 L C C 57 178.300 178.806 -0.506
319 . 1 1 57 57 L CA C 57 57.700 57.837 -0.137
320 . 1 1 57 57 L CB C 57 42.000 41.478 0.522
321 . 1 1 57 57 L H H 57 7.980 8.212 -0.232
322 . 1 1 58 58 A N N 58 120.600 121.598 -0.998
323 . 1 1 58 58 A HA H 58 3.400 3.761 -0.361
324 . 1 1 58 58 A C C 58 178.600 179.039 -0.439
325 . 1 1 58 58 A CA C 58 55.200 55.225 -0.025
326 . 1 1 58 58 A CB C 58 17.600 18.262 -0.662
327 . 1 1 58 58 A H H 58 7.820 8.262 -0.442
328 . 1 1 59 59 K N N 59 116.600 118.295 -1.695
329 . 1 1 59 59 K HA H 59 3.990 3.988 0.002
330 . 1 1 59 59 K C C 59 179.900 178.269 1.631
331 . 1 1 59 59 K CA C 59 59.400 59.569 -0.169
332 . 1 1 59 59 K CB C 59 32.000 32.230 -0.230
333 . 1 1 59 59 K H H 59 7.630 7.743 -0.113
334 . 1 1 60 60 E N N 60 120.700 118.887 1.813
335 . 1 1 60 60 E HA H 60 4.390 4.087 0.303
336 . 1 1 60 60 E C C 60 178.100 178.576 -0.476
337 . 1 1 60 60 E CA C 60 58.100 59.325 -1.225
338 . 1 1 60 60 E CB C 60 28.800 29.322 -0.522
339 . 1 1 60 60 E H H 60 7.950 8.280 -0.330
340 . 1 1 61 61 A N N 61 122.400 122.180 0.220
341 . 1 1 61 61 A HA H 61 4.160 4.337 -0.177
342 . 1 1 61 61 A C C 61 179.100 180.122 -1.022
343 . 1 1 61 61 A CA C 61 56.000 55.040 0.960
344 . 1 1 61 61 A CB C 61 17.300 18.353 -1.053
345 . 1 1 61 61 A H H 61 8.300 8.223 0.077
346 . 1 1 62 62 E N N 62 115.600 117.897 -2.297
347 . 1 1 62 62 E HA H 62 4.040 4.049 -0.009
348 . 1 1 62 62 E C C 62 179.200 179.180 0.020
349 . 1 1 62 62 E CA C 62 59.200 59.579 -0.379
350 . 1 1 62 62 E CB C 62 29.300 29.350 -0.050
351 . 1 1 62 62 E H H 62 8.100 8.077 0.023
352 . 1 1 63 63 R N N 63 122.800 120.559 2.241
353 . 1 1 63 63 R HA H 63 4.040 4.127 -0.087
354 . 1 1 63 63 R C C 63 179.100 178.956 0.144
355 . 1 1 63 63 R CA C 63 59.600 58.855 0.745
356 . 1 1 63 63 R CB C 63 29.800 29.908 -0.108
357 . 1 1 63 63 R H H 63 8.250 7.645 0.605
358 . 1 1 64 64 L N N 64 120.800 120.171 0.629
359 . 1 1 64 64 L HA H 64 3.870 4.097 -0.227
360 . 1 1 64 64 L C C 64 178.200 179.253 -1.053
361 . 1 1 64 64 L CA C 64 57.500 58.047 -0.547
362 . 1 1 64 64 L CB C 64 42.300 41.687 0.613
363 . 1 1 64 64 L H H 64 8.460 8.424 0.036
364 . 1 1 65 65 A N N 65 120.200 121.809 -1.609
365 . 1 1 65 65 A HA H 65 4.050 4.284 -0.234
366 . 1 1 65 65 A C C 65 179.500 179.982 -0.482
367 . 1 1 65 65 A CA C 65 55.200 55.773 -0.573
368 . 1 1 65 65 A CB C 65 17.900 18.584 -0.684
369 . 1 1 65 65 A H H 65 8.190 8.495 -0.305
370 . 1 1 66 66 K N N 66 116.500 117.560 -1.060
371 . 1 1 66 66 K HA H 66 4.190 4.060 0.130
372 . 1 1 66 66 K C C 66 178.800 179.210 -0.410
373 . 1 1 66 66 K CA C 66 58.900 59.417 -0.517
374 . 1 1 66 66 K CB C 66 32.300 32.182 0.118
375 . 1 1 66 66 K H H 66 7.700 8.143 -0.443
376 . 1 1 67 67 E N N 67 120.200 119.659 0.541
377 . 1 1 67 67 E HA H 67 3.840 3.939 -0.099
378 . 1 1 67 67 E C C 67 178.000 177.800 0.200
379 . 1 1 67 67 E CA C 67 59.100 59.017 0.083
380 . 1 1 67 67 E CB C 67 29.300 29.321 -0.021
381 . 1 1 67 67 E H H 67 8.270 8.142 0.128
382 . 1 1 68 68 F N N 68 113.400 115.234 -1.834
383 . 1 1 68 68 F HA H 68 4.760 4.558 0.202
384 . 1 1 68 68 F C C 68 174.400 174.736 -0.336
385 . 1 1 68 68 F CA C 68 56.300 57.758 -1.458
386 . 1 1 68 68 F CB C 68 39.400 39.425 -0.025
387 . 1 1 68 68 F H H 68 7.800 7.509 0.291
388 . 1 1 69 69 N N N 69 118.200 115.118 3.082
389 . 1 1 69 69 N HA H 69 4.510 4.367 0.143
390 . 1 1 69 69 N CA C 69 54.200 54.458 -0.258
391 . 1 1 69 69 N CB C 69 37.000 37.314 -0.314
392 . 1 1 69 69 N H H 69 7.950 8.011 -0.061
393 . 1 1 70 70 I N N 70 113.900 115.110 -1.210
394 . 1 1 70 70 I HA H 70 4.950 4.638 0.312
395 . 1 1 70 70 I CA C 70 59.800 59.332 0.468
396 . 1 1 70 70 I CB C 70 40.000 40.265 -0.265
397 . 1 1 70 70 I H H 70 8.480 7.871 0.609
398 . 1 1 71 71 T N N 71 113.600 117.471 -3.871
399 . 1 1 71 71 T HA H 71 4.820 4.963 -0.143
400 . 1 1 71 71 T C C 71 173.500 173.726 -0.226
401 . 1 1 71 71 T CA C 71 61.500 61.768 -0.268
402 . 1 1 71 71 T CB C 71 71.200 70.634 0.566
403 . 1 1 71 71 T H H 71 8.520 8.713 -0.193
404 . 1 1 72 72 V N N 72 122.600 123.726 -1.126
405 . 1 1 72 72 V HA H 72 5.330 4.955 0.375
406 . 1 1 72 72 V C C 72 173.200 173.998 -0.798
407 . 1 1 72 72 V CA C 72 59.200 60.154 -0.954
408 . 1 1 72 72 V CB C 72 35.800 35.000 0.800
409 . 1 1 72 72 V H H 72 8.720 8.694 0.026
410 . 1 1 73 73 T N N 73 119.300 120.012 -0.712
411 . 1 1 73 73 T HA H 73 4.410 5.234 -0.824
412 . 1 1 73 73 T CA C 73 60.100 59.782 0.318
413 . 1 1 73 73 T CB C 73 71.800 71.448 0.352
414 . 1 1 73 73 T H H 73 8.430 8.782 -0.352
415 . 1 1 74 74 Y N N 74 118.100 119.191 -1.091
416 . 1 1 74 74 Y HA H 74 5.530 5.915 -0.385
417 . 1 1 74 74 Y CA C 74 55.900 55.538 0.362
418 . 1 1 74 74 Y CB C 74 41.600 41.800 -0.200
419 . 1 1 74 74 Y H H 74 8.120 8.574 -0.454
420 . 1 1 75 75 T N N 75 115.000 117.328 -2.328
421 . 1 1 75 75 T HA H 75 4.590 4.970 -0.380
422 . 1 1 75 75 T CA C 75 60.700 61.597 -0.897
423 . 1 1 75 75 T CB C 75 71.700 70.710 0.990
424 . 1 1 75 75 T H H 75 8.810 9.043 -0.233
425 . 1 1 76 76 I N N 76 124.400 127.399 -2.999
426 . 1 1 76 76 I HA H 76 4.800 4.796 0.004
427 . 1 1 76 76 I C C 76 175.300 175.114 0.186
428 . 1 1 76 76 I CA C 76 59.900 60.205 -0.305
429 . 1 1 76 76 I CB C 76 39.500 39.746 -0.246
430 . 1 1 76 76 I H H 76 8.650 9.092 -0.442
431 . 1 1 77 77 R N N 77 125.900 126.490 -0.590
432 . 1 1 77 77 R HA H 77 4.570 4.821 -0.251
433 . 1 1 77 77 R CA C 77 55.100 55.232 -0.132
434 . 1 1 77 77 R CB C 77 32.500 31.717 0.783
435 . 1 1 77 77 R H H 77 8.680 8.818 -0.138
436 . 1 1 78 78 L N N 78 124.400 124.599 -0.199
437 . 1 1 78 78 L HA H 78 4.320 4.876 -0.556
438 . 1 1 78 78 L C C 78 177.000 175.602 1.398
439 . 1 1 78 78 L CA C 78 55.200 53.732 1.468
440 . 1 1 78 78 L CB C 78 42.200 44.484 -2.284
441 . 1 1 78 78 L H H 78 8.500 8.854 -0.354
442 . 1 1 79 79 E N N 79 121.300 124.257 -2.957
443 . 1 1 79 79 E HA H 79 4.150 4.485 -0.335
444 . 1 1 79 79 E C C 79 173.700 176.013 -2.313
445 . 1 1 79 79 E CA C 79 55.400 56.181 -0.781
446 . 1 1 79 79 E CB C 79 30.100 29.976 0.124
447 . 1 1 79 79 E H H 79 8.310 8.621 -0.311
448 . 1 1 80 80 H N N 80 125.300 123.664 1.636
449 . 1 1 80 80 H HA H 80 4.580 4.949 -0.369
450 . 1 1 80 80 H CA C 80 57.100 54.987 2.113
451 . 1 1 80 80 H CB C 80 30.300 31.061 -0.761
452 . 1 1 80 80 H H H 80 8.090 8.456 -0.366
stop_
save_