data_15864_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15864
_Entry.PDB_ID 2K6B
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_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
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 2 2 SER H H 1 8.780 8.683 0.097 1
1 2 . 1 1 1 A 2 2 SER HA H 1 4.480 4.136 0.344 1
1 5 . 1 1 1 A 2 2 SER C C 1 175.000 174.333 0.667 1
1 6 . 1 1 1 A 2 2 SER CA C 1 59.100 59.865 -0.765 1
1 7 . 1 1 1 A 2 2 SER CB C 1 63.900 61.717 2.183 1
1 8 . 1 1 1 A 2 2 SER N N 1 116.600 114.717 1.883 1
1 9 . 1 1 1 A 3 3 ALA H H 2 8.710 7.972 0.738 1
1 10 . 1 1 1 A 3 3 ALA HA H 2 4.310 4.064 0.246 1
1 14 . 1 1 1 A 3 3 ALA C C 2 178.800 179.339 -0.539 1
1 15 . 1 1 1 A 3 3 ALA CA C 2 53.800 55.195 -1.395 1
1 16 . 1 1 1 A 3 3 ALA CB C 2 18.500 18.319 0.181 1
1 17 . 1 1 1 A 3 3 ALA N N 2 125.500 122.136 3.364 1
1 18 . 1 1 1 A 4 4 ASP H H 3 8.190 8.151 0.039 1
1 19 . 1 1 1 A 4 4 ASP HA H 3 4.500 4.386 0.114 1
1 22 . 1 1 1 A 4 4 ASP C C 3 177.700 178.755 -1.055 1
1 23 . 1 1 1 A 4 4 ASP CA C 3 55.900 56.818 -0.918 1
1 24 . 1 1 1 A 4 4 ASP CB C 3 40.500 40.205 0.295 1
1 25 . 1 1 1 A 4 4 ASP N N 3 117.800 118.370 -0.570 1
1 26 . 1 1 1 A 5 5 GLU H H 4 8.150 8.243 -0.093 1
1 27 . 1 1 1 A 5 5 GLU HA H 4 4.140 4.033 0.107 1
1 32 . 1 1 1 A 5 5 GLU C C 4 178.600 179.375 -0.775 1
1 33 . 1 1 1 A 5 5 GLU CA C 4 58.600 59.408 -0.808 1
1 34 . 1 1 1 A 5 5 GLU CB C 4 29.100 29.255 -0.155 1
1 36 . 1 1 1 A 5 5 GLU N N 4 120.800 120.158 0.642 1
1 37 . 1 1 1 A 6 6 GLU H H 5 8.250 8.415 -0.165 1
1 38 . 1 1 1 A 6 6 GLU HA H 5 4.200 4.049 0.151 1
1 43 . 1 1 1 A 6 6 GLU C C 5 178.300 179.168 -0.868 1
1 44 . 1 1 1 A 6 6 GLU CA C 5 58.600 59.133 -0.533 1
1 45 . 1 1 1 A 6 6 GLU CB C 5 28.800 29.271 -0.471 1
1 47 . 1 1 1 A 6 6 GLU N N 5 120.800 119.606 1.194 1
1 48 . 1 1 1 A 7 7 LEU H H 6 7.990 8.092 -0.102 1
1 49 . 1 1 1 A 7 7 LEU HA H 6 4.170 4.067 0.103 1
1 58 . 1 1 1 A 7 7 LEU C C 6 179.500 178.275 1.225 1
1 59 . 1 1 1 A 7 7 LEU CA C 6 57.500 57.869 -0.369 1
1 60 . 1 1 1 A 7 7 LEU CB C 6 41.600 41.600 0.000 1
1 64 . 1 1 1 A 7 7 LEU N N 6 120.900 122.665 -1.765 1
1 65 . 1 1 1 A 8 8 GLU H H 7 8.130 8.519 -0.389 1
1 66 . 1 1 1 A 8 8 GLU HA H 7 4.160 4.006 0.154 1
1 71 . 1 1 1 A 8 8 GLU C C 7 178.300 178.621 -0.321 1
1 72 . 1 1 1 A 8 8 GLU CA C 7 58.800 59.495 -0.695 1
1 73 . 1 1 1 A 8 8 GLU CB C 7 28.800 29.485 -0.685 1
1 75 . 1 1 1 A 8 8 GLU N N 7 120.100 119.098 1.002 1
1 76 . 1 1 1 A 9 9 ALA H H 8 8.030 8.291 -0.261 1
1 77 . 1 1 1 A 9 9 ALA HA H 8 4.090 4.111 -0.021 1
1 81 . 1 1 1 A 9 9 ALA C C 8 180.500 179.974 0.526 1
1 82 . 1 1 1 A 9 9 ALA CA C 8 55.100 55.087 0.013 1
1 83 . 1 1 1 A 9 9 ALA CB C 8 17.900 18.437 -0.537 1
1 84 . 1 1 1 A 9 9 ALA N N 8 122.100 122.007 0.093 1
1 85 . 1 1 1 A 10 10 LEU H H 9 7.890 7.904 -0.014 1
1 86 . 1 1 1 A 10 10 LEU HA H 9 4.160 3.972 0.188 1
1 95 . 1 1 1 A 10 10 LEU C C 9 179.200 179.304 -0.104 1
1 96 . 1 1 1 A 10 10 LEU CA C 9 57.500 57.664 -0.164 1
1 97 . 1 1 1 A 10 10 LEU CB C 9 41.800 41.310 0.490 1
1 101 . 1 1 1 A 10 10 LEU N N 9 119.500 119.647 -0.147 1
1 102 . 1 1 1 A 11 11 ARG H H 10 8.080 8.053 0.027 1
1 103 . 1 1 1 A 11 11 ARG HA H 10 4.010 3.926 0.084 1
1 110 . 1 1 1 A 11 11 ARG C C 10 178.900 179.425 -0.525 1
1 111 . 1 1 1 A 11 11 ARG CA C 10 59.400 59.696 -0.296 1
1 112 . 1 1 1 A 11 11 ARG CB C 10 30.100 29.881 0.219 1
1 115 . 1 1 1 A 11 11 ARG N N 10 120.400 120.281 0.119 1
1 116 . 1 1 1 A 12 12 ARG H H 11 8.170 8.288 -0.118 1
1 117 . 1 1 1 A 12 12 ARG HA H 11 4.040 4.138 -0.098 1
1 124 . 1 1 1 A 12 12 ARG C C 11 178.900 178.819 0.081 1
1 125 . 1 1 1 A 12 12 ARG CA C 11 59.300 59.391 -0.091 1
1 126 . 1 1 1 A 12 12 ARG CB C 11 30.000 29.791 0.209 1
1 129 . 1 1 1 A 12 12 ARG N N 11 118.400 118.917 -0.517 1
1 130 . 1 1 1 A 13 13 GLN H H 12 8.060 8.593 -0.533 1
1 131 . 1 1 1 A 13 13 GLN HA H 12 4.150 4.013 0.137 1
1 136 . 1 1 1 A 13 13 GLN C C 12 177.900 178.573 -0.673 1
1 137 . 1 1 1 A 13 13 GLN CA C 12 58.600 59.239 -0.639 1
1 138 . 1 1 1 A 13 13 GLN CB C 12 28.500 28.317 0.183 1
1 140 . 1 1 1 A 13 13 GLN N N 12 120.400 119.304 1.096 1
1 141 . 1 1 1 A 14 14 ARG H H 13 8.180 7.509 0.671 1
1 142 . 1 1 1 A 14 14 ARG HA H 13 4.160 4.090 0.070 1
1 149 . 1 1 1 A 14 14 ARG C C 13 178.600 178.999 -0.399 1
1 150 . 1 1 1 A 14 14 ARG CA C 13 58.600 59.057 -0.457 1
1 151 . 1 1 1 A 14 14 ARG CB C 13 29.900 30.004 -0.104 1
1 154 . 1 1 1 A 14 14 ARG N N 13 119.900 119.220 0.680 1
1 155 . 1 1 1 A 15 15 LEU H H 14 7.980 7.508 0.472 1
1 156 . 1 1 1 A 15 15 LEU HA H 14 4.180 4.108 0.072 1
1 165 . 1 1 1 A 15 15 LEU C C 14 178.800 178.419 0.381 1
1 166 . 1 1 1 A 15 15 LEU CA C 14 57.300 57.647 -0.347 1
1 167 . 1 1 1 A 15 15 LEU CB C 14 41.700 41.568 0.132 1
1 171 . 1 1 1 A 15 15 LEU N N 14 119.900 121.337 -1.437 1
1 172 . 1 1 1 A 16 16 ALA H H 15 7.930 8.375 -0.445 1
1 173 . 1 1 1 A 16 16 ALA HA H 15 4.190 4.070 0.120 1
1 177 . 1 1 1 A 16 16 ALA C C 15 180.100 179.558 0.542 1
1 178 . 1 1 1 A 16 16 ALA CA C 15 54.500 55.222 -0.722 1
1 179 . 1 1 1 A 16 16 ALA CB C 15 18.000 18.109 -0.109 1
1 180 . 1 1 1 A 16 16 ALA N N 15 122.000 121.212 0.788 1
1 181 . 1 1 1 A 17 17 GLU H H 16 8.010 8.341 -0.331 1
1 182 . 1 1 1 A 17 17 GLU HA H 16 4.160 4.039 0.121 1
1 187 . 1 1 1 A 17 17 GLU C C 16 178.100 179.115 -1.015 1
1 188 . 1 1 1 A 17 17 GLU CA C 16 58.100 58.877 -0.777 1
1 189 . 1 1 1 A 17 17 GLU CB C 16 28.900 29.148 -0.248 1
1 191 . 1 1 1 A 17 17 GLU N N 16 118.500 118.446 0.054 1
1 192 . 1 1 1 A 18 18 LEU H H 17 7.890 7.917 -0.027 1
1 193 . 1 1 1 A 18 18 LEU HA H 17 4.200 4.064 0.136 1
1 203 . 1 1 1 A 18 18 LEU C C 17 178.700 176.435 2.265 1
1 204 . 1 1 1 A 18 18 LEU CA C 17 56.900 58.145 -1.245 1
1 205 . 1 1 1 A 18 18 LEU CB C 17 42.100 41.664 0.436 1
1 209 . 1 1 1 A 18 18 LEU N N 17 120.400 121.164 -0.764 1
1 210 . 1 1 1 A 19 19 GLN H H 18 8.020 7.849 0.171 1
1 211 . 1 1 1 A 19 19 GLN HA H 18 4.200 4.015 0.185 1
1 216 . 1 1 1 A 19 19 GLN C C 18 176.700 175.054 1.646 1
1 217 . 1 1 1 A 19 19 GLN CA C 18 56.900 56.503 0.397 1
1 218 . 1 1 1 A 19 19 GLN CB C 18 28.800 27.304 1.496 1
1 220 . 1 1 1 A 19 19 GLN N N 18 118.500 117.015 1.485 1
1 221 . 1 1 1 A 20 20 ALA H H 19 7.850 7.991 -0.141 1
1 222 . 1 1 1 A 20 20 ALA HA H 19 4.240 4.423 -0.183 1
1 226 . 1 1 1 A 20 20 ALA C C 19 178.000 177.215 0.785 1
1 227 . 1 1 1 A 20 20 ALA CA C 19 53.100 52.196 0.904 1
1 228 . 1 1 1 A 20 20 ALA CB C 19 18.700 19.171 -0.471 1
1 229 . 1 1 1 A 20 20 ALA N N 19 122.700 122.715 -0.015 1
1 230 . 1 1 1 A 21 21 LYS H H 20 7.950 9.053 -1.103 1
1 231 . 1 1 1 A 21 21 LYS HA H 20 4.260 4.642 -0.382 1
1 238 . 1 1 1 A 21 21 LYS C C 20 176.600 177.502 -0.902 1
1 239 . 1 1 1 A 21 21 LYS CA C 20 56.500 54.848 1.652 1
1 240 . 1 1 1 A 21 21 LYS CB C 20 32.600 33.858 -1.258 1
1 244 . 1 1 1 A 21 21 LYS N N 20 118.800 123.589 -4.789 1
1 245 . 1 1 1 A 22 22 HIS H H 21 8.320 8.645 -0.325 1
1 246 . 1 1 1 A 22 22 HIS HA H 21 4.730 5.009 -0.279 1
1 249 . 1 1 1 A 22 22 HIS C C 21 174.800 176.093 -1.293 1
1 250 . 1 1 1 A 22 22 HIS CA C 21 55.400 56.108 -0.708 1
1 251 . 1 1 1 A 22 22 HIS CB C 21 28.800 30.735 -1.935 1
1 252 . 1 1 1 A 22 22 HIS N N 21 118.600 118.152 0.448 1
1 253 . 1 1 1 A 23 23 GLY H H 22 8.360 7.905 0.455 1
1 254 . 1 1 1 A 23 23 GLY HA2 H 22 3.960 3.851 0.109 1
1 255 . 1 1 1 A 23 23 GLY HA3 H 22 3.960 3.878 0.082 1
1 256 . 1 1 1 A 23 23 GLY C C 22 173.200 173.669 -0.469 1
1 257 . 1 1 1 A 23 23 GLY CA C 22 45.000 45.181 -0.181 1
1 258 . 1 1 1 A 23 23 GLY N N 22 109.600 109.413 0.187 1
1 259 . 1 1 1 A 24 24 ASP H H 23 8.320 7.684 0.636 1
1 260 . 1 1 1 A 24 24 ASP HA H 23 4.940 5.081 -0.141 1
1 263 . 1 1 1 A 24 24 ASP C C 23 174.900 175.862 -0.962 1
1 264 . 1 1 1 A 24 24 ASP CA C 23 52.200 51.282 0.918 1
1 265 . 1 1 1 A 24 24 ASP CB C 23 41.300 42.420 -1.120 1
1 266 . 1 1 1 A 24 24 ASP N N 23 121.600 118.372 3.228 1
1 267 . 1 1 1 A 25 25 PRO HA H 24 4.430 4.545 -0.115 1
1 274 . 1 1 1 A 25 25 PRO C C 24 177.800 175.516 2.284 1
1 275 . 1 1 1 A 25 25 PRO CA C 24 64.100 63.713 0.387 1
1 276 . 1 1 1 A 25 25 PRO CB C 24 31.900 32.371 -0.471 1
1 279 . 1 1 1 A 26 26 GLY H H 25 8.520 7.799 0.721 1
1 280 . 1 1 1 A 26 26 GLY HA2 H 25 3.940 4.157 -0.217 1
1 281 . 1 1 1 A 26 26 GLY HA3 H 25 3.940 4.163 -0.223 1
1 282 . 1 1 1 A 26 26 GLY C C 25 174.400 174.240 0.160 1
1 283 . 1 1 1 A 26 26 GLY CA C 25 45.500 44.909 0.591 1
1 284 . 1 1 1 A 26 26 GLY N N 25 108.300 109.568 -1.268 1
1 285 . 1 1 1 A 27 27 ASP H H 26 8.100 8.893 -0.793 1
1 286 . 1 1 1 A 27 27 ASP HA H 26 4.610 4.505 0.105 1
1 289 . 1 1 1 A 27 27 ASP C C 26 176.900 176.874 0.026 1
1 290 . 1 1 1 A 27 27 ASP CA C 26 54.800 56.713 -1.913 1
1 291 . 1 1 1 A 27 27 ASP CB C 26 40.800 40.215 0.585 1
1 292 . 1 1 1 A 27 27 ASP N N 26 120.700 120.486 0.214 1
1 293 . 1 1 1 A 28 28 ALA H H 27 8.320 8.491 -0.171 1
1 294 . 1 1 1 A 28 28 ALA HA H 27 4.180 4.013 0.167 1
1 298 . 1 1 1 A 28 28 ALA C C 27 179.300 180.019 -0.719 1
1 299 . 1 1 1 A 28 28 ALA CA C 27 54.600 54.707 -0.107 1
1 300 . 1 1 1 A 28 28 ALA CB C 27 18.400 18.067 0.333 1
1 301 . 1 1 1 A 28 28 ALA N N 27 124.100 120.958 3.142 1
1 302 . 1 1 1 A 29 29 ALA H H 28 8.250 8.256 -0.006 1
1 303 . 1 1 1 A 29 29 ALA HA H 28 4.230 4.125 0.105 1
1 307 . 1 1 1 A 29 29 ALA C C 28 180.000 179.741 0.259 1
1 308 . 1 1 1 A 29 29 ALA CA C 28 54.300 55.022 -0.722 1
1 309 . 1 1 1 A 29 29 ALA CB C 28 18.200 18.570 -0.370 1
1 310 . 1 1 1 A 29 29 ALA N N 28 121.200 120.209 0.991 1
1 311 . 1 1 1 A 30 30 GLN H H 29 8.120 7.232 0.888 1
1 312 . 1 1 1 A 30 30 GLN HA H 29 4.230 4.174 0.056 1
1 317 . 1 1 1 A 30 30 GLN C C 29 177.900 178.393 -0.493 1
1 318 . 1 1 1 A 30 30 GLN CA C 29 57.800 58.694 -0.894 1
1 319 . 1 1 1 A 30 30 GLN CB C 29 28.600 28.233 0.367 1
1 321 . 1 1 1 A 30 30 GLN N N 29 118.800 117.788 1.012 1
1 322 . 1 1 1 A 31 31 GLN H H 30 8.240 7.820 0.420 1
1 323 . 1 1 1 A 31 31 GLN HA H 30 4.120 4.039 0.081 1
1 328 . 1 1 1 A 31 31 GLN C C 30 178.100 178.262 -0.162 1
1 329 . 1 1 1 A 31 31 GLN CA C 30 58.000 59.078 -1.078 1
1 330 . 1 1 1 A 31 31 GLN CB C 30 28.500 28.552 -0.052 1
1 332 . 1 1 1 A 31 31 GLN N N 30 119.600 119.879 -0.279 1
1 333 . 1 1 1 A 32 32 GLU H H 31 8.300 8.654 -0.354 1
1 334 . 1 1 1 A 32 32 GLU HA H 31 4.190 4.106 0.084 1
1 339 . 1 1 1 A 32 32 GLU C C 31 178.100 178.286 -0.186 1
1 340 . 1 1 1 A 32 32 GLU CA C 31 58.600 59.795 -1.195 1
1 341 . 1 1 1 A 32 32 GLU CB C 31 28.800 29.255 -0.455 1
1 343 . 1 1 1 A 32 32 GLU N N 31 120.800 119.675 1.125 1
1 344 . 1 1 1 A 33 33 ALA H H 32 8.070 8.409 -0.339 1
1 345 . 1 1 1 A 33 33 ALA HA H 32 4.160 4.095 0.065 1
1 349 . 1 1 1 A 33 33 ALA C C 32 179.900 179.506 0.394 1
1 350 . 1 1 1 A 33 33 ALA CA C 32 54.900 55.079 -0.179 1
1 351 . 1 1 1 A 33 33 ALA CB C 32 18.200 18.249 -0.049 1
1 352 . 1 1 1 A 33 33 ALA N N 32 123.000 121.723 1.277 1
1 353 . 1 1 1 A 34 34 LYS H H 33 8.050 7.853 0.197 1
1 354 . 1 1 1 A 34 34 LYS HA H 33 4.150 4.173 -0.023 1
1 363 . 1 1 1 A 34 34 LYS C C 33 178.900 179.048 -0.148 1
1 364 . 1 1 1 A 34 34 LYS CA C 33 58.600 59.192 -0.592 1
1 365 . 1 1 1 A 34 34 LYS CB C 33 32.300 31.954 0.346 1
1 369 . 1 1 1 A 34 34 LYS N N 33 118.600 118.938 -0.338 1
1 370 . 1 1 1 A 35 35 HIS H H 34 8.240 8.569 -0.329 1
1 371 . 1 1 1 A 35 35 HIS HA H 34 4.580 4.192 0.388 1
1 374 . 1 1 1 A 35 35 HIS C C 34 176.300 177.462 -1.162 1
1 375 . 1 1 1 A 35 35 HIS CA C 34 57.800 60.173 -2.373 1
1 376 . 1 1 1 A 35 35 HIS CB C 34 28.300 29.751 -1.451 1
1 377 . 1 1 1 A 35 35 HIS N N 34 119.100 119.492 -0.392 1
1 378 . 1 1 1 A 36 36 ARG H H 35 8.390 8.370 0.020 1
1 379 . 1 1 1 A 36 36 ARG HA H 35 4.160 3.734 0.426 1
1 386 . 1 1 1 A 36 36 ARG C C 35 178.500 179.027 -0.527 1
1 387 . 1 1 1 A 36 36 ARG CA C 35 58.800 58.861 -0.061 1
1 388 . 1 1 1 A 36 36 ARG CB C 35 29.200 29.480 -0.280 1
1 391 . 1 1 1 A 36 36 ARG N N 35 120.600 119.135 1.465 1
1 392 . 1 1 1 A 37 37 GLU H H 36 8.240 8.438 -0.198 1
1 393 . 1 1 1 A 37 37 GLU HA H 36 4.080 4.021 0.059 1
1 398 . 1 1 1 A 37 37 GLU C C 36 178.200 179.025 -0.825 1
1 399 . 1 1 1 A 37 37 GLU CA C 36 59.100 59.214 -0.114 1
1 400 . 1 1 1 A 37 37 GLU CB C 36 29.100 29.776 -0.676 1
1 402 . 1 1 1 A 37 37 GLU N N 36 120.400 119.848 0.552 1
1 403 . 1 1 1 A 38 38 ALA H H 37 7.980 7.985 -0.005 1
1 404 . 1 1 1 A 38 38 ALA HA H 37 4.100 4.099 0.001 1
1 408 . 1 1 1 A 38 38 ALA C C 37 179.800 179.434 0.366 1
1 409 . 1 1 1 A 38 38 ALA CA C 37 55.100 55.185 -0.085 1
1 410 . 1 1 1 A 38 38 ALA CB C 37 18.000 18.485 -0.485 1
1 411 . 1 1 1 A 38 38 ALA N N 37 122.000 122.428 -0.428 1
1 412 . 1 1 1 A 39 39 GLU H H 38 8.050 8.607 -0.557 1
1 413 . 1 1 1 A 39 39 GLU HA H 38 4.120 4.082 0.038 1
1 418 . 1 1 1 A 39 39 GLU C C 38 179.000 178.348 0.652 1
1 419 . 1 1 1 A 39 39 GLU CA C 38 58.800 59.189 -0.389 1
1 420 . 1 1 1 A 39 39 GLU CB C 38 29.100 29.047 0.053 1
1 422 . 1 1 1 A 39 39 GLU N N 38 118.200 118.548 -0.348 1
1 423 . 1 1 1 A 40 40 MET H H 39 8.130 8.321 -0.191 1
1 424 . 1 1 1 A 40 40 MET HA H 39 4.200 4.162 0.038 1
1 429 . 1 1 1 A 40 40 MET C C 39 178.200 178.490 -0.290 1
1 430 . 1 1 1 A 40 40 MET CA C 39 58.100 58.673 -0.573 1
1 431 . 1 1 1 A 40 40 MET CB C 39 32.300 32.819 -0.519 1
1 433 . 1 1 1 A 40 40 MET N N 39 120.300 119.069 1.231 1
1 434 . 1 1 1 A 41 41 ARG HA H 40 3.890 4.201 -0.311 1
1 441 . 1 1 1 A 41 41 ARG C C 40 177.700 178.933 -1.233 1
1 442 . 1 1 1 A 41 41 ARG CA C 40 59.500 59.558 -0.058 1
1 443 . 1 1 1 A 41 41 ARG CB C 40 30.300 30.402 -0.102 1
1 444 . 1 1 1 A 42 42 ASN H H 41 8.190 8.935 -0.745 1
1 445 . 1 1 1 A 42 42 ASN HA H 41 4.440 4.470 -0.030 1
1 450 . 1 1 1 A 42 42 ASN C C 41 177.700 177.581 0.119 1
1 451 . 1 1 1 A 42 42 ASN CA C 41 55.900 56.738 -0.838 1
1 452 . 1 1 1 A 42 42 ASN CB C 41 38.100 38.759 -0.659 1
1 453 . 1 1 1 A 42 42 ASN N N 41 116.300 118.547 -2.247 1
1 455 . 1 1 1 A 43 43 SER H H 42 8.130 8.588 -0.458 1
1 456 . 1 1 1 A 43 43 SER HA H 42 4.300 4.171 0.129 1
1 459 . 1 1 1 A 43 43 SER C C 42 176.600 176.452 0.148 1
1 460 . 1 1 1 A 43 43 SER CA C 42 61.200 61.444 -0.244 1
1 461 . 1 1 1 A 43 43 SER CB C 42 63.100 62.395 0.705 1
1 462 . 1 1 1 A 43 43 SER N N 42 116.300 115.317 0.983 1
1 463 . 1 1 1 A 44 44 ILE H H 43 7.940 7.488 0.452 1
1 464 . 1 1 1 A 44 44 ILE HA H 43 3.860 3.809 0.051 1
1 474 . 1 1 1 A 44 44 ILE C C 43 178.400 178.366 0.034 1
1 475 . 1 1 1 A 44 44 ILE CA C 43 64.500 64.640 -0.140 1
1 476 . 1 1 1 A 44 44 ILE CB C 43 37.900 37.485 0.415 1
1 480 . 1 1 1 A 44 44 ILE N N 43 122.500 118.467 4.033 1
1 481 . 1 1 1 A 45 45 LEU H H 44 8.070 7.938 0.132 1
1 482 . 1 1 1 A 45 45 LEU HA H 44 3.940 4.099 -0.159 1
1 492 . 1 1 1 A 45 45 LEU C C 44 178.200 179.173 -0.973 1
1 493 . 1 1 1 A 45 45 LEU CA C 44 58.100 57.702 0.398 1
1 494 . 1 1 1 A 45 45 LEU CB C 44 41.100 39.853 1.247 1
1 498 . 1 1 1 A 45 45 LEU N N 44 119.100 121.951 -2.851 1
1 499 . 1 1 1 A 46 46 ALA H H 45 7.760 8.149 -0.389 1
1 500 . 1 1 1 A 46 46 ALA HA H 45 4.100 4.117 -0.017 1
1 504 . 1 1 1 A 46 46 ALA C C 45 178.700 178.142 0.558 1
1 505 . 1 1 1 A 46 46 ALA CA C 45 54.100 54.688 -0.588 1
1 506 . 1 1 1 A 46 46 ALA CB C 45 18.100 18.140 -0.040 1
1 507 . 1 1 1 A 46 46 ALA N N 45 117.600 121.773 -4.173 1
1 508 . 1 1 1 A 47 47 GLN H H 46 7.570 7.416 0.154 1
1 509 . 1 1 1 A 47 47 GLN HA H 46 4.270 4.338 -0.068 1
1 514 . 1 1 1 A 47 47 GLN C C 46 177.800 178.098 -0.298 1
1 515 . 1 1 1 A 47 47 GLN CA C 46 57.300 57.391 -0.091 1
1 516 . 1 1 1 A 47 47 GLN CB C 46 29.500 29.188 0.312 1
1 518 . 1 1 1 A 47 47 GLN N N 46 114.300 116.200 -1.900 1
1 519 . 1 1 1 A 48 48 VAL H H 47 7.690 7.532 0.158 1
1 520 . 1 1 1 A 48 48 VAL HA H 47 4.380 4.028 0.352 1
1 528 . 1 1 1 A 48 48 VAL C C 47 174.400 175.828 -1.428 1
1 529 . 1 1 1 A 48 48 VAL CA C 47 62.600 64.607 -2.007 1
1 530 . 1 1 1 A 48 48 VAL CB C 47 32.800 32.920 -0.120 1
1 533 . 1 1 1 A 48 48 VAL N N 47 111.900 116.263 -4.363 1
1 534 . 1 1 1 A 49 49 LEU H H 48 7.480 7.899 -0.419 1
1 535 . 1 1 1 A 49 49 LEU HA H 48 4.910 4.539 0.371 1
1 545 . 1 1 1 A 49 49 LEU C C 48 177.000 176.092 0.908 1
1 546 . 1 1 1 A 49 49 LEU CA C 48 53.700 53.877 -0.177 1
1 547 . 1 1 1 A 49 49 LEU CB C 48 44.500 42.587 1.913 1
1 551 . 1 1 1 A 49 49 LEU N N 48 119.600 118.801 0.799 1
1 552 . 1 1 1 A 50 50 ASP H H 49 8.430 8.488 -0.058 1
1 553 . 1 1 1 A 50 50 ASP HA H 49 4.630 4.790 -0.160 1
1 556 . 1 1 1 A 50 50 ASP C C 49 176.000 176.951 -0.951 1
1 557 . 1 1 1 A 50 50 ASP CA C 49 53.000 52.893 0.107 1
1 558 . 1 1 1 A 50 50 ASP CB C 49 40.200 42.501 -2.301 1
1 559 . 1 1 1 A 50 50 ASP N N 49 121.200 125.449 -4.249 1
1 560 . 1 1 1 A 51 51 GLN H H 50 8.580 8.575 0.005 1
1 561 . 1 1 1 A 51 51 GLN HA H 50 3.950 3.915 0.035 1
1 566 . 1 1 1 A 51 51 GLN C C 50 178.800 178.044 0.756 1
1 567 . 1 1 1 A 51 51 GLN CA C 50 60.200 59.494 0.706 1
1 568 . 1 1 1 A 51 51 GLN CB C 50 28.300 28.522 -0.222 1
1 570 . 1 1 1 A 51 51 GLN N N 50 118.200 123.885 -5.685 1
1 571 . 1 1 1 A 52 52 SER H H 51 8.430 8.421 0.009 1
1 572 . 1 1 1 A 52 52 SER HA H 51 4.320 4.211 0.109 1
1 575 . 1 1 1 A 52 52 SER C C 51 177.200 177.042 0.158 1
1 576 . 1 1 1 A 52 52 SER CA C 51 61.500 61.505 -0.005 1
1 577 . 1 1 1 A 52 52 SER CB C 51 62.400 62.137 0.263 1
1 578 . 1 1 1 A 52 52 SER N N 51 117.000 114.550 2.450 1
1 579 . 1 1 1 A 53 53 ALA H H 52 8.760 8.026 0.734 1
1 580 . 1 1 1 A 53 53 ALA HA H 52 3.960 3.998 -0.038 1
1 584 . 1 1 1 A 53 53 ALA C C 52 178.900 179.169 -0.269 1
1 585 . 1 1 1 A 53 53 ALA CA C 52 55.400 55.147 0.253 1
1 586 . 1 1 1 A 53 53 ALA CB C 52 19.200 18.102 1.098 1
1 587 . 1 1 1 A 53 53 ALA N N 52 127.400 123.885 3.515 1
1 588 . 1 1 1 A 54 54 ARG H H 53 8.640 8.071 0.569 1
1 589 . 1 1 1 A 54 54 ARG HA H 53 3.880 3.973 -0.093 1
1 596 . 1 1 1 A 54 54 ARG C C 53 179.000 178.749 0.251 1
1 597 . 1 1 1 A 54 54 ARG CA C 53 59.700 59.489 0.211 1
1 598 . 1 1 1 A 54 54 ARG CB C 53 29.900 30.046 -0.146 1
1 601 . 1 1 1 A 54 54 ARG N N 53 118.200 117.722 0.478 1
1 602 . 1 1 1 A 55 55 ALA H H 54 7.960 8.373 -0.413 1
1 603 . 1 1 1 A 55 55 ALA HA H 54 4.190 4.012 0.178 1
1 607 . 1 1 1 A 55 55 ALA C C 54 180.100 179.608 0.492 1
1 608 . 1 1 1 A 55 55 ALA CA C 54 55.100 55.103 -0.003 1
1 609 . 1 1 1 A 55 55 ALA CB C 54 17.700 18.255 -0.555 1
1 610 . 1 1 1 A 55 55 ALA N N 54 122.200 121.863 0.337 1
1 611 . 1 1 1 A 56 56 ARG H H 55 7.800 7.652 0.148 1
1 612 . 1 1 1 A 56 56 ARG HA H 55 4.160 4.145 0.015 1
1 619 . 1 1 1 A 56 56 ARG C C 55 178.900 178.314 0.586 1
1 620 . 1 1 1 A 56 56 ARG CA C 55 58.300 58.464 -0.164 1
1 621 . 1 1 1 A 56 56 ARG CB C 55 29.100 29.860 -0.760 1
1 624 . 1 1 1 A 56 56 ARG N N 55 119.100 118.809 0.291 1
1 625 . 1 1 1 A 57 57 LEU H H 56 8.390 8.263 0.127 1
1 626 . 1 1 1 A 57 57 LEU HA H 56 4.060 4.039 0.021 1
1 635 . 1 1 1 A 57 57 LEU C C 56 178.100 178.951 -0.851 1
1 636 . 1 1 1 A 57 57 LEU CA C 56 57.800 58.014 -0.214 1
1 637 . 1 1 1 A 57 57 LEU CB C 56 41.600 41.412 0.188 1
1 641 . 1 1 1 A 57 57 LEU N N 56 120.600 121.613 -1.013 1
1 642 . 1 1 1 A 58 58 SER H H 57 8.150 8.287 -0.137 1
1 643 . 1 1 1 A 58 58 SER HA H 57 4.210 4.083 0.127 1
1 646 . 1 1 1 A 58 58 SER C C 57 176.500 176.204 0.296 1
1 647 . 1 1 1 A 58 58 SER CA C 57 61.800 62.075 -0.275 1
1 648 . 1 1 1 A 58 58 SER CB C 57 62.600 62.922 -0.322 1
1 649 . 1 1 1 A 58 58 SER N N 57 114.100 116.873 -2.773 1
1 650 . 1 1 1 A 59 59 ASN H H 58 7.700 8.151 -0.451 1
1 651 . 1 1 1 A 59 59 ASN HA H 58 4.580 4.497 0.083 1
1 656 . 1 1 1 A 59 59 ASN C C 58 178.000 177.512 0.488 1
1 657 . 1 1 1 A 59 59 ASN CA C 58 56.200 56.198 0.002 1
1 658 . 1 1 1 A 59 59 ASN CB C 58 38.700 39.322 -0.622 1
1 659 . 1 1 1 A 59 59 ASN N N 58 119.500 120.086 -0.586 1
1 661 . 1 1 1 A 60 60 LEU H H 59 8.250 7.937 0.313 1
1 662 . 1 1 1 A 60 60 LEU HA H 59 4.070 4.106 -0.036 1
1 671 . 1 1 1 A 60 60 LEU C C 59 178.400 178.430 -0.030 1
1 672 . 1 1 1 A 60 60 LEU CA C 59 57.500 57.539 -0.039 1
1 673 . 1 1 1 A 60 60 LEU CB C 59 42.100 41.487 0.613 1
1 677 . 1 1 1 A 60 60 LEU N N 59 123.000 120.663 2.337 1
1 678 . 1 1 1 A 61 61 ALA H H 60 8.070 8.171 -0.101 1
1 679 . 1 1 1 A 61 61 ALA HA H 60 3.910 4.320 -0.410 1
1 683 . 1 1 1 A 61 61 ALA C C 60 178.400 179.466 -1.066 1
1 684 . 1 1 1 A 61 61 ALA CA C 60 54.600 54.944 -0.344 1
1 685 . 1 1 1 A 61 61 ALA CB C 60 18.200 18.412 -0.212 1
1 686 . 1 1 1 A 61 61 ALA N N 60 120.700 120.642 0.058 1
1 687 . 1 1 1 A 62 62 LEU H H 61 7.170 7.885 -0.715 1
1 688 . 1 1 1 A 62 62 LEU HA H 61 4.200 4.090 0.110 1
1 695 . 1 1 1 A 62 62 LEU C C 61 178.300 178.457 -0.157 1
1 696 . 1 1 1 A 62 62 LEU CA C 61 56.500 57.731 -1.231 1
1 697 . 1 1 1 A 62 62 LEU CB C 61 42.100 41.700 0.400 1
1 701 . 1 1 1 A 62 62 LEU N N 61 113.700 120.557 -6.857 1
1 702 . 1 1 1 A 63 63 VAL H H 62 7.330 7.375 -0.045 1
1 703 . 1 1 1 A 63 63 VAL HA H 62 4.380 4.000 0.380 1
1 711 . 1 1 1 A 63 63 VAL C C 62 176.200 176.126 0.074 1
1 712 . 1 1 1 A 63 63 VAL CA C 62 62.800 64.980 -2.180 1
1 713 . 1 1 1 A 63 63 VAL CB C 62 33.900 31.988 1.912 1
1 716 . 1 1 1 A 63 63 VAL N N 62 112.500 113.873 -1.373 1
1 717 . 1 1 1 A 64 64 LYS H H 63 8.710 7.744 0.966 1
1 718 . 1 1 1 A 64 64 LYS HA H 63 5.000 4.659 0.341 1
1 727 . 1 1 1 A 64 64 LYS C C 63 174.200 175.565 -1.365 1
1 728 . 1 1 1 A 64 64 LYS CA C 63 53.600 53.320 0.280 1
1 729 . 1 1 1 A 64 64 LYS CB C 63 33.400 32.603 0.797 1
1 733 . 1 1 1 A 64 64 LYS N N 63 120.400 119.568 0.832 1
1 734 . 1 1 1 A 65 65 PRO HA H 64 4.360 4.725 -0.365 1
1 741 . 1 1 1 A 65 65 PRO C C 64 179.400 178.595 0.805 1
1 742 . 1 1 1 A 65 65 PRO CA C 64 66.000 64.538 1.462 1
1 743 . 1 1 1 A 65 65 PRO CB C 64 31.400 32.088 -0.688 1
1 746 . 1 1 1 A 66 66 GLU H H 65 8.920 8.440 0.480 1
1 747 . 1 1 1 A 66 66 GLU HA H 65 4.200 4.071 0.129 1
1 752 . 1 1 1 A 66 66 GLU C C 65 179.600 179.608 -0.008 1
1 753 . 1 1 1 A 66 66 GLU CA C 65 59.400 59.879 -0.479 1
1 754 . 1 1 1 A 66 66 GLU CB C 65 28.300 28.917 -0.617 1
1 756 . 1 1 1 A 66 66 GLU N N 65 118.700 118.401 0.299 1
1 757 . 1 1 1 A 67 67 LYS H H 66 8.000 7.554 0.446 1
1 758 . 1 1 1 A 67 67 LYS HA H 66 4.160 4.161 -0.001 1
1 767 . 1 1 1 A 67 67 LYS C C 66 178.400 179.033 -0.633 1
1 768 . 1 1 1 A 67 67 LYS CA C 66 58.500 58.811 -0.311 1
1 769 . 1 1 1 A 67 67 LYS CB C 66 32.300 31.986 0.314 1
1 773 . 1 1 1 A 67 67 LYS N N 66 121.300 118.827 2.473 1
1 774 . 1 1 1 A 68 68 THR H H 67 7.960 7.548 0.412 1
1 775 . 1 1 1 A 68 68 THR HA H 67 4.130 3.855 0.275 1
1 780 . 1 1 1 A 68 68 THR C C 67 176.200 176.454 -0.254 1
1 781 . 1 1 1 A 68 68 THR CA C 67 67.800 67.128 0.672 1
1 782 . 1 1 1 A 68 68 THR CB C 67 67.800 68.478 -0.678 1
1 784 . 1 1 1 A 68 68 THR N N 67 114.200 116.891 -2.691 1
1 785 . 1 1 1 A 69 69 LYS H H 68 7.770 8.312 -0.542 1
1 786 . 1 1 1 A 69 69 LYS HA H 68 3.990 4.054 -0.064 1
1 795 . 1 1 1 A 69 69 LYS C C 68 178.100 179.008 -0.908 1
1 796 . 1 1 1 A 69 69 LYS CA C 68 59.400 59.468 -0.068 1
1 797 . 1 1 1 A 69 69 LYS CB C 68 31.700 32.208 -0.508 1
1 801 . 1 1 1 A 69 69 LYS N N 68 122.000 120.011 1.989 1
1 802 . 1 1 1 A 70 70 ALA H H 69 7.480 7.342 0.138 1
1 803 . 1 1 1 A 70 70 ALA HA H 69 4.240 4.106 0.134 1
1 807 . 1 1 1 A 70 70 ALA C C 69 181.200 179.950 1.250 1
1 808 . 1 1 1 A 70 70 ALA CA C 69 55.200 55.032 0.168 1
1 809 . 1 1 1 A 70 70 ALA CB C 69 17.900 18.207 -0.307 1
1 810 . 1 1 1 A 70 70 ALA N N 69 120.300 122.243 -1.943 1
1 811 . 1 1 1 A 71 71 VAL H H 70 8.160 7.991 0.169 1
1 812 . 1 1 1 A 71 71 VAL HA H 70 3.620 3.804 -0.184 1
1 820 . 1 1 1 A 71 71 VAL C C 70 177.400 178.072 -0.672 1
1 821 . 1 1 1 A 71 71 VAL CA C 70 66.600 65.135 1.465 1
1 822 . 1 1 1 A 71 71 VAL CB C 70 31.500 31.582 -0.082 1
1 825 . 1 1 1 A 71 71 VAL N N 70 120.300 117.153 3.147 1
1 826 . 1 1 1 A 72 72 GLU H H 71 8.690 8.976 -0.286 1
1 827 . 1 1 1 A 72 72 GLU HA H 71 3.800 3.965 -0.165 1
1 832 . 1 1 1 A 72 72 GLU C C 71 178.000 179.002 -1.002 1
1 833 . 1 1 1 A 72 72 GLU CA C 71 60.400 60.139 0.261 1
1 834 . 1 1 1 A 72 72 GLU CB C 71 29.200 29.325 -0.125 1
1 836 . 1 1 1 A 72 72 GLU N N 71 119.300 121.890 -2.590 1
1 837 . 1 1 1 A 73 73 ASN H H 72 8.460 7.928 0.532 1
1 838 . 1 1 1 A 73 73 ASN HA H 72 4.440 4.506 -0.066 1
1 843 . 1 1 1 A 73 73 ASN C C 72 177.600 177.069 0.531 1
1 844 . 1 1 1 A 73 73 ASN CA C 72 56.200 56.300 -0.100 1
1 845 . 1 1 1 A 73 73 ASN CB C 72 37.600 39.174 -1.574 1
1 846 . 1 1 1 A 73 73 ASN N N 72 115.900 118.507 -2.607 1
1 848 . 1 1 1 A 74 74 TYR H H 73 7.940 8.421 -0.481 1
1 849 . 1 1 1 A 74 74 TYR HA H 73 4.200 4.237 -0.037 1
1 856 . 1 1 1 A 74 74 TYR C C 73 177.600 176.990 0.610 1
1 857 . 1 1 1 A 74 74 TYR CA C 73 61.500 61.602 -0.102 1
1 858 . 1 1 1 A 74 74 TYR CB C 73 38.400 38.761 -0.361 1
1 863 . 1 1 1 A 74 74 TYR N N 73 122.400 120.338 2.062 1
1 864 . 1 1 1 A 75 75 LEU H H 74 8.410 8.831 -0.421 1
1 865 . 1 1 1 A 75 75 LEU HA H 74 3.930 3.885 0.045 1
1 875 . 1 1 1 A 75 75 LEU C C 74 178.500 179.087 -0.587 1
1 876 . 1 1 1 A 75 75 LEU CA C 74 58.100 57.941 0.159 1
1 877 . 1 1 1 A 75 75 LEU CB C 74 42.600 41.447 1.153 1
1 881 . 1 1 1 A 75 75 LEU N N 74 119.500 120.143 -0.643 1
1 882 . 1 1 1 A 76 76 ILE H H 75 8.400 8.090 0.310 1
1 883 . 1 1 1 A 76 76 ILE HA H 75 3.570 3.530 0.040 1
1 890 . 1 1 1 A 76 76 ILE C C 75 178.100 178.381 -0.281 1
1 891 . 1 1 1 A 76 76 ILE CA C 75 65.200 65.136 0.064 1
1 892 . 1 1 1 A 76 76 ILE CB C 75 37.800 37.662 0.138 1
1 896 . 1 1 1 A 76 76 ILE N N 75 118.600 119.760 -1.160 1
1 897 . 1 1 1 A 77 77 GLN H H 76 7.830 7.636 0.194 1
1 898 . 1 1 1 A 77 77 GLN HA H 76 3.920 4.053 -0.133 1
1 903 . 1 1 1 A 77 77 GLN C C 76 178.100 178.434 -0.334 1
1 904 . 1 1 1 A 77 77 GLN CA C 76 59.100 58.869 0.231 1
1 905 . 1 1 1 A 77 77 GLN CB C 76 28.000 28.711 -0.711 1
1 907 . 1 1 1 A 77 77 GLN N N 76 119.300 119.086 0.214 1
1 908 . 1 1 1 A 78 78 MET H H 77 8.060 7.995 0.065 1
1 909 . 1 1 1 A 78 78 MET HA H 77 4.040 3.996 0.044 1
1 912 . 1 1 1 A 78 78 MET C C 77 178.700 178.029 0.671 1
1 913 . 1 1 1 A 78 78 MET CA C 77 58.600 58.520 0.080 1
1 914 . 1 1 1 A 78 78 MET CB C 77 33.000 32.319 0.681 1
1 916 . 1 1 1 A 78 78 MET N N 77 117.600 119.217 -1.617 1
1 917 . 1 1 1 A 79 79 ALA H H 78 8.210 8.460 -0.250 1
1 918 . 1 1 1 A 79 79 ALA HA H 78 4.190 3.997 0.193 1
1 922 . 1 1 1 A 79 79 ALA C C 78 180.600 180.268 0.332 1
1 923 . 1 1 1 A 79 79 ALA CA C 78 54.100 55.192 -1.092 1
1 924 . 1 1 1 A 79 79 ALA CB C 78 18.400 18.189 0.211 1
1 925 . 1 1 1 A 79 79 ALA N N 78 121.400 121.559 -0.159 1
1 926 . 1 1 1 A 80 80 ARG H H 79 8.120 7.869 0.251 1
1 927 . 1 1 1 A 80 80 ARG HA H 79 3.960 4.094 -0.134 1
1 934 . 1 1 1 A 80 80 ARG C C 79 177.900 177.912 -0.012 1
1 935 . 1 1 1 A 80 80 ARG CA C 79 58.800 58.466 0.334 1
1 936 . 1 1 1 A 80 80 ARG CB C 79 29.900 29.798 0.102 1
1 939 . 1 1 1 A 80 80 ARG N N 79 119.100 120.070 -0.970 1
1 940 . 1 1 1 A 81 81 TYR H H 80 7.800 7.337 0.463 1
1 941 . 1 1 1 A 81 81 TYR HA H 80 4.710 4.583 0.127 1
1 948 . 1 1 1 A 81 81 TYR C C 80 176.500 176.070 0.430 1
1 949 . 1 1 1 A 81 81 TYR CA C 80 57.500 58.053 -0.553 1
1 950 . 1 1 1 A 81 81 TYR CB C 80 38.100 38.696 -0.596 1
1 955 . 1 1 1 A 81 81 TYR N N 80 115.900 116.267 -0.367 1
1 956 . 1 1 1 A 82 82 GLY H H 81 7.850 7.906 -0.056 1
1 957 . 1 1 1 A 82 82 GLY HA2 H 81 4.030 3.943 0.087 1
1 958 . 1 1 1 A 82 82 GLY HA3 H 81 4.030 3.944 0.086 1
1 959 . 1 1 1 A 82 82 GLY C C 81 174.900 175.328 -0.428 1
1 960 . 1 1 1 A 82 82 GLY CA C 81 46.300 46.397 -0.097 1
1 961 . 1 1 1 A 82 82 GLY N N 81 108.500 108.717 -0.217 1
1 962 . 1 1 1 A 83 83 GLN H H 82 8.200 8.226 -0.026 1
1 963 . 1 1 1 A 83 83 GLN HA H 82 4.310 4.400 -0.090 1
1 968 . 1 1 1 A 83 83 GLN C C 82 175.500 175.466 0.034 1
1 969 . 1 1 1 A 83 83 GLN CA C 82 55.700 55.757 -0.057 1
1 970 . 1 1 1 A 83 83 GLN CB C 82 29.400 28.227 1.173 1
1 972 . 1 1 1 A 83 83 GLN N N 82 116.900 118.672 -1.772 1
1 973 . 1 1 1 A 84 84 LEU H H 83 7.990 7.701 0.289 1
1 974 . 1 1 1 A 84 84 LEU HA H 83 4.610 4.565 0.045 1
1 984 . 1 1 1 A 84 84 LEU C C 83 176.500 176.623 -0.123 1
1 985 . 1 1 1 A 84 84 LEU CA C 83 54.300 54.574 -0.274 1
1 986 . 1 1 1 A 84 84 LEU CB C 83 42.600 40.492 2.108 1
1 990 . 1 1 1 A 84 84 LEU N N 83 121.400 122.719 -1.319 1
1 991 . 1 1 1 A 85 85 SER H H 84 8.630 8.364 0.266 1
1 992 . 1 1 1 A 85 85 SER HA H 84 4.410 4.592 -0.182 1
1 995 . 1 1 1 A 85 85 SER C C 84 173.700 174.382 -0.682 1
1 996 . 1 1 1 A 85 85 SER CA C 84 59.400 60.166 -0.766 1
1 997 . 1 1 1 A 85 85 SER CB C 84 63.900 64.409 -0.509 1
1 998 . 1 1 1 A 85 85 SER N N 84 118.400 121.118 -2.718 1
1 999 . 1 1 1 A 86 86 GLU H H 85 7.690 7.777 -0.087 1
1 1000 . 1 1 1 A 86 86 GLU HA H 85 4.530 4.744 -0.214 1
1 1005 . 1 1 1 A 86 86 GLU C C 85 175.400 176.107 -0.707 1
1 1006 . 1 1 1 A 86 86 GLU CA C 85 54.900 54.761 0.139 1
1 1007 . 1 1 1 A 86 86 GLU CB C 85 31.200 31.290 -0.090 1
1 1009 . 1 1 1 A 86 86 GLU N N 85 119.400 118.759 0.641 1
1 1010 . 1 1 1 A 87 87 LYS H H 86 8.380 8.433 -0.053 1
1 1011 . 1 1 1 A 87 87 LYS HA H 86 4.230 4.469 -0.239 1
1 1018 . 1 1 1 A 87 87 LYS C C 86 176.900 176.850 0.050 1
1 1019 . 1 1 1 A 87 87 LYS CA C 86 57.000 56.304 0.696 1
1 1020 . 1 1 1 A 87 87 LYS CB C 86 33.300 32.933 0.367 1
1 1024 . 1 1 1 A 87 87 LYS N N 86 120.400 121.815 -1.415 1
1 1025 . 1 1 1 A 88 88 VAL H H 87 8.960 9.154 -0.194 1
1 1026 . 1 1 1 A 88 88 VAL HA H 87 3.970 4.195 -0.225 1
1 1034 . 1 1 1 A 88 88 VAL C C 87 174.700 176.232 -1.532 1
1 1035 . 1 1 1 A 88 88 VAL CA C 87 63.300 62.935 0.365 1
1 1036 . 1 1 1 A 88 88 VAL CB C 87 32.400 31.745 0.655 1
1 1038 . 1 1 1 A 88 88 VAL N N 87 125.200 123.634 1.566 1
1 1039 . 1 1 1 A 89 89 SER H H 88 8.190 8.719 -0.529 1
1 1040 . 1 1 1 A 89 89 SER HA H 88 4.990 4.810 0.180 1
1 1043 . 1 1 1 A 89 89 SER C C 88 175.700 175.615 0.085 1
1 1044 . 1 1 1 A 89 89 SER CA C 88 56.200 56.993 -0.793 1
1 1045 . 1 1 1 A 89 89 SER CB C 88 66.600 65.617 0.983 1
1 1046 . 1 1 1 A 89 89 SER N N 88 121.700 122.968 -1.268 1
1 1047 . 1 1 1 A 90 90 GLU H H 89 9.230 8.956 0.274 1
1 1048 . 1 1 1 A 90 90 GLU HA H 89 3.720 4.002 -0.282 1
1 1053 . 1 1 1 A 90 90 GLU C C 89 177.700 178.568 -0.868 1
1 1054 . 1 1 1 A 90 90 GLU CA C 89 61.200 59.822 1.378 1
1 1055 . 1 1 1 A 90 90 GLU CB C 89 29.100 29.540 -0.440 1
1 1057 . 1 1 1 A 90 90 GLU N N 89 121.600 120.733 0.867 1
1 1058 . 1 1 1 A 91 91 GLN H H 90 8.430 8.260 0.170 1
1 1059 . 1 1 1 A 91 91 GLN HA H 90 4.040 4.074 -0.034 1
1 1066 . 1 1 1 A 91 91 GLN C C 90 178.900 178.227 0.673 1
1 1067 . 1 1 1 A 91 91 GLN CA C 90 59.100 58.105 0.995 1
1 1068 . 1 1 1 A 91 91 GLN CB C 90 27.800 28.355 -0.555 1
1 1070 . 1 1 1 A 91 91 GLN N N 90 117.100 118.050 -0.950 1
1 1072 . 1 1 1 A 92 92 GLY H H 91 8.080 8.252 -0.172 1
1 1073 . 1 1 1 A 92 92 GLY HA2 H 91 3.890 3.560 0.330 1
1 1074 . 1 1 1 A 92 92 GLY HA3 H 91 3.890 3.566 0.324 1
1 1075 . 1 1 1 A 92 92 GLY C C 91 176.600 175.643 0.957 1
1 1076 . 1 1 1 A 92 92 GLY CA C 91 46.900 47.343 -0.443 1
1 1077 . 1 1 1 A 92 92 GLY N N 91 109.400 108.803 0.597 1
1 1078 . 1 1 1 A 93 93 LEU H H 92 8.610 8.290 0.320 1
1 1079 . 1 1 1 A 93 93 LEU HA H 92 4.000 4.134 -0.134 1
1 1089 . 1 1 1 A 93 93 LEU C C 92 178.000 178.430 -0.430 1
1 1090 . 1 1 1 A 93 93 LEU CA C 92 57.500 57.207 0.293 1
1 1091 . 1 1 1 A 93 93 LEU CB C 92 41.800 41.352 0.448 1
1 1095 . 1 1 1 A 93 93 LEU N N 92 123.700 122.196 1.504 1
1 1096 . 1 1 1 A 94 94 ILE H H 93 7.970 8.326 -0.356 1
1 1097 . 1 1 1 A 94 94 ILE HA H 93 3.640 3.526 0.114 1
1 1107 . 1 1 1 A 94 94 ILE C C 93 178.500 178.107 0.393 1
1 1108 . 1 1 1 A 94 94 ILE CA C 93 64.800 64.750 0.050 1
1 1109 . 1 1 1 A 94 94 ILE CB C 93 37.100 37.117 -0.017 1
1 1113 . 1 1 1 A 94 94 ILE N N 93 119.900 119.861 0.039 1
1 1114 . 1 1 1 A 95 95 GLU H H 94 7.610 8.043 -0.433 1
1 1115 . 1 1 1 A 95 95 GLU HA H 94 4.090 4.043 0.047 1
1 1120 . 1 1 1 A 95 95 GLU C C 94 179.400 179.595 -0.195 1
1 1121 . 1 1 1 A 95 95 GLU CA C 94 59.200 59.333 -0.133 1
1 1122 . 1 1 1 A 95 95 GLU CB C 94 28.800 29.719 -0.919 1
1 1124 . 1 1 1 A 95 95 GLU N N 94 118.800 119.735 -0.935 1
1 1125 . 1 1 1 A 96 96 ILE H H 95 7.840 7.997 -0.157 1
1 1126 . 1 1 1 A 96 96 ILE HA H 95 3.520 3.504 0.016 1
1 1136 . 1 1 1 A 96 96 ILE C C 95 177.500 177.885 -0.385 1
1 1137 . 1 1 1 A 96 96 ILE CA C 95 65.500 65.665 -0.165 1
1 1138 . 1 1 1 A 96 96 ILE CB C 95 37.900 38.100 -0.200 1
1 1142 . 1 1 1 A 96 96 ILE N N 95 121.600 120.493 1.107 1
1 1143 . 1 1 1 A 97 97 LEU H H 96 8.620 8.373 0.247 1
1 1144 . 1 1 1 A 97 97 LEU HA H 96 3.800 3.944 -0.144 1
1 1151 . 1 1 1 A 97 97 LEU C C 96 179.400 178.469 0.931 1
1 1152 . 1 1 1 A 97 97 LEU CA C 96 58.600 58.313 0.287 1
1 1153 . 1 1 1 A 97 97 LEU CB C 96 41.500 41.581 -0.081 1
1 1156 . 1 1 1 A 97 97 LEU N N 96 120.400 121.346 -0.946 1
1 1157 . 1 1 1 A 98 98 LYS H H 97 7.750 8.174 -0.424 1
1 1158 . 1 1 1 A 98 98 LYS HA H 97 3.990 3.806 0.184 1
1 1167 . 1 1 1 A 98 98 LYS C C 97 178.600 179.631 -1.031 1
1 1168 . 1 1 1 A 98 98 LYS CA C 97 59.400 60.296 -0.896 1
1 1169 . 1 1 1 A 98 98 LYS CB C 97 32.300 32.198 0.102 1
1 1172 . 1 1 1 A 98 98 LYS N N 97 119.000 119.649 -0.649 1
1 1173 . 1 1 1 A 99 99 LYS H H 98 7.710 7.909 -0.199 1
1 1174 . 1 1 1 A 99 99 LYS HA H 98 4.110 4.050 0.060 1
1 1183 . 1 1 1 A 99 99 LYS C C 98 179.100 177.440 1.660 1
1 1184 . 1 1 1 A 99 99 LYS CA C 98 59.100 58.871 0.229 1
1 1185 . 1 1 1 A 99 99 LYS CB C 98 32.500 31.560 0.940 1
1 1189 . 1 1 1 A 99 99 LYS N N 98 119.500 118.968 0.532 1
1 1190 . 1 1 1 A 100 100 VAL H H 99 8.210 7.298 0.912 1
1 1191 . 1 1 1 A 100 100 VAL HA H 99 3.920 4.028 -0.108 1
1 1196 . 1 1 1 A 100 100 VAL C C 99 177.600 177.511 0.089 1
1 1197 . 1 1 1 A 100 100 VAL CA C 99 64.200 63.587 0.613 1
1 1198 . 1 1 1 A 100 100 VAL CB C 99 31.500 32.001 -0.501 1
1 1200 . 1 1 1 A 100 100 VAL N N 99 115.800 120.084 -4.284 1
1 1201 . 1 1 1 A 101 101 SER H H 100 7.900 7.933 -0.033 1
1 1202 . 1 1 1 A 101 101 SER HA H 100 4.340 4.156 0.184 1
1 1205 . 1 1 1 A 101 101 SER C C 100 174.600 176.188 -1.588 1
1 1206 . 1 1 1 A 101 101 SER CA C 100 60.400 61.342 -0.942 1
1 1207 . 1 1 1 A 101 101 SER CB C 100 63.600 62.368 1.232 1
1 1208 . 1 1 1 A 101 101 SER N N 100 116.500 117.153 -0.653 1
1 1209 . 1 1 1 A 102 102 GLN H H 101 7.860 7.703 0.157 1
1 1210 . 1 1 1 A 102 102 GLN HA H 101 4.280 4.282 -0.002 1
1 1215 . 1 1 1 A 102 102 GLN C C 101 176.400 175.674 0.726 1
1 1216 . 1 1 1 A 102 102 GLN CA C 101 56.800 57.646 -0.846 1
1 1217 . 1 1 1 A 102 102 GLN CB C 101 28.900 30.049 -1.149 1
1 1219 . 1 1 1 A 102 102 GLN N N 101 120.100 120.720 -0.620 1
1 1220 . 1 1 1 A 103 103 GLN H H 102 8.080 7.640 0.440 1
1 1221 . 1 1 1 A 103 103 GLN HA H 102 4.360 4.698 -0.338 1
1 1226 . 1 1 1 A 103 103 GLN C C 102 176.500 173.636 2.864 1
1 1227 . 1 1 1 A 103 103 GLN CA C 102 56.700 55.163 1.537 1
1 1228 . 1 1 1 A 103 103 GLN CB C 102 29.000 31.400 -2.400 1
1 1230 . 1 1 1 A 103 103 GLN N N 102 119.700 113.043 6.657 1
1 1231 . 1 1 1 A 104 104 THR H H 103 8.070 8.936 -0.866 1
1 1232 . 1 1 1 A 104 104 THR HA H 103 4.350 4.832 -0.482 1
1 1237 . 1 1 1 A 104 104 THR C C 103 174.700 173.921 0.779 1
1 1238 . 1 1 1 A 104 104 THR CA C 103 62.500 61.387 1.113 1
1 1239 . 1 1 1 A 104 104 THR CB C 103 69.800 69.822 -0.022 1
1 1241 . 1 1 1 A 104 104 THR N N 103 113.900 118.728 -4.828 1
1 1242 . 1 1 1 A 105 105 GLU H H 104 8.290 8.615 -0.325 1
1 1243 . 1 1 1 A 105 105 GLU HA H 104 4.350 4.721 -0.371 1
1 1248 . 1 1 1 A 105 105 GLU C C 104 176.300 176.334 -0.034 1
1 1249 . 1 1 1 A 105 105 GLU CA C 104 56.700 56.388 0.312 1
1 1250 . 1 1 1 A 105 105 GLU CB C 104 29.900 31.977 -2.077 1
1 1252 . 1 1 1 A 105 105 GLU N N 104 122.900 120.967 1.933 1
1 1253 . 1 1 1 A 106 106 LYS H H 105 8.320 7.661 0.659 1
1 1254 . 1 1 1 A 106 106 LYS HA H 105 4.390 4.407 -0.017 1
1 1263 . 1 1 1 A 106 106 LYS C C 105 176.800 175.166 1.634 1
1 1264 . 1 1 1 A 106 106 LYS CA C 105 56.700 55.595 1.105 1
1 1265 . 1 1 1 A 106 106 LYS CB C 105 32.800 31.892 0.908 1
1 1269 . 1 1 1 A 106 106 LYS N N 105 121.900 122.498 -0.598 1
1 1270 . 1 1 1 A 107 107 THR H H 106 8.150 8.582 -0.432 1
1 1271 . 1 1 1 A 107 107 THR HA H 106 4.430 4.670 -0.240 1
1 1276 . 1 1 1 A 107 107 THR C C 106 174.600 174.128 0.472 1
1 1277 . 1 1 1 A 107 107 THR CA C 106 62.000 61.219 0.781 1
1 1278 . 1 1 1 A 107 107 THR CB C 106 70.000 70.323 -0.323 1
1 1280 . 1 1 1 A 107 107 THR N N 106 115.000 122.361 -7.361 1
1 1281 . 1 1 1 A 108 108 THR H H 107 8.190 8.710 -0.520 1
1 1282 . 1 1 1 A 108 108 THR HA H 107 4.440 4.552 -0.112 1
1 1287 . 1 1 1 A 108 108 THR C C 107 174.500 173.335 1.165 1
1 1288 . 1 1 1 A 108 108 THR CA C 107 62.000 61.807 0.193 1
1 1289 . 1 1 1 A 108 108 THR CB C 107 69.800 66.754 3.046 1
1 1291 . 1 1 1 A 108 108 THR N N 107 116.500 121.698 -5.198 1
1 1292 . 1 1 1 A 109 109 THR H H 108 8.170 7.982 0.188 1
1 1293 . 1 1 1 A 109 109 THR HA H 108 4.350 4.698 -0.348 1
1 1298 . 1 1 1 A 109 109 THR C C 108 174.200 172.811 1.389 1
1 1299 . 1 1 1 A 109 109 THR CA C 108 62.000 61.432 0.568 1
1 1300 . 1 1 1 A 109 109 THR CB C 108 69.800 72.663 -2.863 1
1 1302 . 1 1 1 A 109 109 THR N N 108 117.200 118.694 -1.494 1
1 1303 . 1 1 1 A 110 110 VAL H H 109 8.100 8.427 -0.327 1
1 1304 . 1 1 1 A 110 110 VAL HA H 109 4.040 4.387 -0.347 1
1 1312 . 1 1 1 A 110 110 VAL C C 109 175.200 175.208 -0.008 1
1 1313 . 1 1 1 A 110 110 VAL CA C 109 62.300 61.198 1.102 1
1 1314 . 1 1 1 A 110 110 VAL CB C 109 32.600 31.348 1.252 1
1 1316 . 1 1 1 A 110 110 VAL N N 109 123.100 122.630 0.470 1
1 1317 . 1 1 1 A 111 111 LYS H H 110 8.200 7.913 0.287 1
1 1318 . 1 1 1 A 111 111 LYS HA H 110 4.310 4.674 -0.364 1
1 1327 . 1 1 1 A 111 111 LYS C C 110 175.700 176.342 -0.642 1
1 1328 . 1 1 1 A 111 111 LYS CA C 110 55.700 55.681 0.019 1
1 1329 . 1 1 1 A 111 111 LYS CB C 110 33.300 33.583 -0.283 1
1 1333 . 1 1 1 A 111 111 LYS N N 110 125.200 125.489 -0.289 1
1 1334 . 1 1 1 A 112 112 PHE H H 111 8.310 8.890 -0.580 1
1 1335 . 1 1 1 A 112 112 PHE HA H 111 4.650 4.766 -0.116 1
1 1338 . 1 1 1 A 112 112 PHE C C 111 174.500 175.902 -1.402 1
1 1339 . 1 1 1 A 112 112 PHE CA C 111 57.500 58.209 -0.709 1
1 1340 . 1 1 1 A 112 112 PHE CB C 111 39.700 40.218 -0.518 1
1 1341 . 1 1 1 A 112 112 PHE N N 111 122.100 121.472 0.628 1
1 1 . 2 1 1 A 2 2 SER H H 1 8.780 8.510 0.270 1
1 2 . 2 1 1 A 2 2 SER HA H 1 4.480 4.360 0.120 1
1 5 . 2 1 1 A 2 2 SER C C 1 175.000 175.587 -0.587 1
1 6 . 2 1 1 A 2 2 SER CA C 1 59.100 59.753 -0.653 1
1 7 . 2 1 1 A 2 2 SER CB C 1 63.900 63.074 0.826 1
1 8 . 2 1 1 A 2 2 SER N N 1 116.600 120.845 -4.245 1
1 9 . 2 1 1 A 3 3 ALA H H 2 8.710 8.946 -0.236 1
1 10 . 2 1 1 A 3 3 ALA HA H 2 4.310 3.984 0.326 1
1 14 . 2 1 1 A 3 3 ALA C C 2 178.800 179.611 -0.811 1
1 15 . 2 1 1 A 3 3 ALA CA C 2 53.800 55.606 -1.806 1
1 16 . 2 1 1 A 3 3 ALA CB C 2 18.500 18.272 0.228 1
1 17 . 2 1 1 A 3 3 ALA N N 2 125.500 129.148 -3.648 1
1 18 . 2 1 1 A 4 4 ASP H H 3 8.190 8.496 -0.306 1
1 19 . 2 1 1 A 4 4 ASP HA H 3 4.500 4.330 0.170 1
1 22 . 2 1 1 A 4 4 ASP C C 3 177.700 178.489 -0.789 1
1 23 . 2 1 1 A 4 4 ASP CA C 3 55.900 56.584 -0.684 1
1 24 . 2 1 1 A 4 4 ASP CB C 3 40.500 39.723 0.777 1
1 25 . 2 1 1 A 4 4 ASP N N 3 117.800 117.318 0.482 1
1 26 . 2 1 1 A 5 5 GLU H H 4 8.150 8.250 -0.100 1
1 27 . 2 1 1 A 5 5 GLU HA H 4 4.140 4.017 0.123 1
1 32 . 2 1 1 A 5 5 GLU C C 4 178.600 178.980 -0.380 1
1 33 . 2 1 1 A 5 5 GLU CA C 4 58.600 59.424 -0.824 1
1 34 . 2 1 1 A 5 5 GLU CB C 4 29.100 29.359 -0.259 1
1 36 . 2 1 1 A 5 5 GLU N N 4 120.800 120.543 0.257 1
1 37 . 2 1 1 A 6 6 GLU H H 5 8.250 8.409 -0.159 1
1 38 . 2 1 1 A 6 6 GLU HA H 5 4.200 4.003 0.197 1
1 43 . 2 1 1 A 6 6 GLU C C 5 178.300 178.903 -0.603 1
1 44 . 2 1 1 A 6 6 GLU CA C 5 58.600 59.196 -0.596 1
1 45 . 2 1 1 A 6 6 GLU CB C 5 28.800 29.427 -0.627 1
1 47 . 2 1 1 A 6 6 GLU N N 5 120.800 118.979 1.821 1
1 48 . 2 1 1 A 7 7 LEU H H 6 7.990 8.182 -0.192 1
1 49 . 2 1 1 A 7 7 LEU HA H 6 4.170 4.005 0.165 1
1 58 . 2 1 1 A 7 7 LEU C C 6 179.500 178.528 0.972 1
1 59 . 2 1 1 A 7 7 LEU CA C 6 57.500 58.361 -0.861 1
1 60 . 2 1 1 A 7 7 LEU CB C 6 41.600 41.556 0.044 1
1 64 . 2 1 1 A 7 7 LEU N N 6 120.900 121.463 -0.563 1
1 65 . 2 1 1 A 8 8 GLU H H 7 8.130 7.915 0.215 1
1 66 . 2 1 1 A 8 8 GLU HA H 7 4.160 4.044 0.116 1
1 71 . 2 1 1 A 8 8 GLU C C 7 178.300 179.135 -0.835 1
1 72 . 2 1 1 A 8 8 GLU CA C 7 58.800 59.428 -0.628 1
1 73 . 2 1 1 A 8 8 GLU CB C 7 28.800 29.490 -0.690 1
1 75 . 2 1 1 A 8 8 GLU N N 7 120.100 118.142 1.958 1
1 76 . 2 1 1 A 9 9 ALA H H 8 8.030 8.259 -0.229 1
1 77 . 2 1 1 A 9 9 ALA HA H 8 4.090 4.116 -0.026 1
1 81 . 2 1 1 A 9 9 ALA C C 8 180.500 180.265 0.235 1
1 82 . 2 1 1 A 9 9 ALA CA C 8 55.100 55.215 -0.115 1
1 83 . 2 1 1 A 9 9 ALA CB C 8 17.900 17.993 -0.093 1
1 84 . 2 1 1 A 9 9 ALA N N 8 122.100 122.402 -0.302 1
1 85 . 2 1 1 A 10 10 LEU H H 9 7.890 8.311 -0.421 1
1 86 . 2 1 1 A 10 10 LEU HA H 9 4.160 4.021 0.139 1
1 95 . 2 1 1 A 10 10 LEU C C 9 179.200 178.859 0.341 1
1 96 . 2 1 1 A 10 10 LEU CA C 9 57.500 57.748 -0.248 1
1 97 . 2 1 1 A 10 10 LEU CB C 9 41.800 41.560 0.240 1
1 101 . 2 1 1 A 10 10 LEU N N 9 119.500 118.328 1.172 1
1 102 . 2 1 1 A 11 11 ARG H H 10 8.080 8.428 -0.348 1
1 103 . 2 1 1 A 11 11 ARG HA H 10 4.010 3.864 0.146 1
1 110 . 2 1 1 A 11 11 ARG C C 10 178.900 179.091 -0.191 1
1 111 . 2 1 1 A 11 11 ARG CA C 10 59.400 59.635 -0.235 1
1 112 . 2 1 1 A 11 11 ARG CB C 10 30.100 29.483 0.617 1
1 115 . 2 1 1 A 11 11 ARG N N 10 120.400 119.416 0.984 1
1 116 . 2 1 1 A 12 12 ARG H H 11 8.170 8.360 -0.190 1
1 117 . 2 1 1 A 12 12 ARG HA H 11 4.040 4.134 -0.094 1
1 124 . 2 1 1 A 12 12 ARG C C 11 178.900 178.605 0.295 1
1 125 . 2 1 1 A 12 12 ARG CA C 11 59.300 59.343 -0.043 1
1 126 . 2 1 1 A 12 12 ARG CB C 11 30.000 29.771 0.229 1
1 129 . 2 1 1 A 12 12 ARG N N 11 118.400 118.945 -0.545 1
1 130 . 2 1 1 A 13 13 GLN H H 12 8.060 7.991 0.069 1
1 131 . 2 1 1 A 13 13 GLN HA H 12 4.150 3.942 0.208 1
1 136 . 2 1 1 A 13 13 GLN C C 12 177.900 178.349 -0.449 1
1 137 . 2 1 1 A 13 13 GLN CA C 12 58.600 59.103 -0.503 1
1 138 . 2 1 1 A 13 13 GLN CB C 12 28.500 28.391 0.109 1
1 140 . 2 1 1 A 13 13 GLN N N 12 120.400 119.400 1.000 1
1 141 . 2 1 1 A 14 14 ARG H H 13 8.180 7.829 0.351 1
1 142 . 2 1 1 A 14 14 ARG HA H 13 4.160 4.100 0.060 1
1 149 . 2 1 1 A 14 14 ARG C C 13 178.600 178.514 0.086 1
1 150 . 2 1 1 A 14 14 ARG CA C 13 58.600 58.639 -0.039 1
1 151 . 2 1 1 A 14 14 ARG CB C 13 29.900 30.092 -0.192 1
1 154 . 2 1 1 A 14 14 ARG N N 13 119.900 119.896 0.004 1
1 155 . 2 1 1 A 15 15 LEU H H 14 7.980 8.289 -0.309 1
1 156 . 2 1 1 A 15 15 LEU HA H 14 4.180 4.105 0.075 1
1 165 . 2 1 1 A 15 15 LEU C C 14 178.800 178.465 0.335 1
1 166 . 2 1 1 A 15 15 LEU CA C 14 57.300 57.457 -0.157 1
1 167 . 2 1 1 A 15 15 LEU CB C 14 41.700 41.512 0.188 1
1 171 . 2 1 1 A 15 15 LEU N N 14 119.900 120.921 -1.021 1
1 172 . 2 1 1 A 16 16 ALA H H 15 7.930 8.113 -0.183 1
1 173 . 2 1 1 A 16 16 ALA HA H 15 4.190 3.996 0.194 1
1 177 . 2 1 1 A 16 16 ALA C C 15 180.100 179.956 0.144 1
1 178 . 2 1 1 A 16 16 ALA CA C 15 54.500 55.465 -0.965 1
1 179 . 2 1 1 A 16 16 ALA CB C 15 18.000 18.061 -0.061 1
1 180 . 2 1 1 A 16 16 ALA N N 15 122.000 120.956 1.044 1
1 181 . 2 1 1 A 17 17 GLU H H 16 8.010 8.012 -0.002 1
1 182 . 2 1 1 A 17 17 GLU HA H 16 4.160 4.033 0.127 1
1 187 . 2 1 1 A 17 17 GLU C C 16 178.100 179.220 -1.120 1
1 188 . 2 1 1 A 17 17 GLU CA C 16 58.100 59.504 -1.404 1
1 189 . 2 1 1 A 17 17 GLU CB C 16 28.900 29.297 -0.397 1
1 191 . 2 1 1 A 17 17 GLU N N 16 118.500 118.193 0.307 1
1 192 . 2 1 1 A 18 18 LEU H H 17 7.890 7.848 0.042 1
1 193 . 2 1 1 A 18 18 LEU HA H 17 4.200 4.084 0.116 1
1 203 . 2 1 1 A 18 18 LEU C C 17 178.700 178.476 0.224 1
1 204 . 2 1 1 A 18 18 LEU CA C 17 56.900 57.795 -0.895 1
1 205 . 2 1 1 A 18 18 LEU CB C 17 42.100 41.554 0.546 1
1 209 . 2 1 1 A 18 18 LEU N N 17 120.400 121.169 -0.769 1
1 210 . 2 1 1 A 19 19 GLN H H 18 8.020 8.056 -0.036 1
1 211 . 2 1 1 A 19 19 GLN HA H 18 4.200 4.091 0.109 1
1 216 . 2 1 1 A 19 19 GLN C C 18 176.700 175.841 0.859 1
1 217 . 2 1 1 A 19 19 GLN CA C 18 56.900 58.594 -1.694 1
1 218 . 2 1 1 A 19 19 GLN CB C 18 28.800 28.829 -0.029 1
1 220 . 2 1 1 A 19 19 GLN N N 18 118.500 118.854 -0.354 1
1 221 . 2 1 1 A 20 20 ALA H H 19 7.850 7.252 0.598 1
1 222 . 2 1 1 A 20 20 ALA HA H 19 4.240 4.535 -0.295 1
1 226 . 2 1 1 A 20 20 ALA C C 19 178.000 177.251 0.749 1
1 227 . 2 1 1 A 20 20 ALA CA C 19 53.100 51.954 1.146 1
1 228 . 2 1 1 A 20 20 ALA CB C 19 18.700 21.879 -3.179 1
1 229 . 2 1 1 A 20 20 ALA N N 19 122.700 118.157 4.543 1
1 230 . 2 1 1 A 21 21 LYS H H 20 7.950 8.847 -0.897 1
1 231 . 2 1 1 A 21 21 LYS HA H 20 4.260 4.247 0.013 1
1 238 . 2 1 1 A 21 21 LYS C C 20 176.600 176.596 0.004 1
1 239 . 2 1 1 A 21 21 LYS CA C 20 56.500 57.995 -1.495 1
1 240 . 2 1 1 A 21 21 LYS CB C 20 32.600 33.519 -0.919 1
1 244 . 2 1 1 A 21 21 LYS N N 20 118.800 124.255 -5.455 1
1 245 . 2 1 1 A 22 22 HIS H H 21 8.320 7.821 0.499 1
1 246 . 2 1 1 A 22 22 HIS HA H 21 4.730 4.618 0.112 1
1 249 . 2 1 1 A 22 22 HIS C C 21 174.800 176.348 -1.548 1
1 250 . 2 1 1 A 22 22 HIS CA C 21 55.400 56.216 -0.816 1
1 251 . 2 1 1 A 22 22 HIS CB C 21 28.800 32.644 -3.844 1
1 252 . 2 1 1 A 22 22 HIS N N 21 118.600 117.740 0.860 1
1 253 . 2 1 1 A 23 23 GLY H H 22 8.360 8.358 0.002 1
1 254 . 2 1 1 A 23 23 GLY HA2 H 22 3.960 3.833 0.127 1
1 255 . 2 1 1 A 23 23 GLY HA3 H 22 3.960 3.872 0.088 1
1 256 . 2 1 1 A 23 23 GLY C C 22 173.200 173.385 -0.185 1
1 257 . 2 1 1 A 23 23 GLY CA C 22 45.000 46.023 -1.023 1
1 258 . 2 1 1 A 23 23 GLY N N 22 109.600 106.401 3.199 1
1 259 . 2 1 1 A 24 24 ASP H H 23 8.320 7.880 0.440 1
1 260 . 2 1 1 A 24 24 ASP HA H 23 4.940 4.816 0.124 1
1 263 . 2 1 1 A 24 24 ASP C C 23 174.900 175.621 -0.721 1
1 264 . 2 1 1 A 24 24 ASP CA C 23 52.200 50.932 1.268 1
1 265 . 2 1 1 A 24 24 ASP CB C 23 41.300 42.522 -1.222 1
1 266 . 2 1 1 A 24 24 ASP N N 23 121.600 122.328 -0.728 1
1 267 . 2 1 1 A 25 25 PRO HA H 24 4.430 4.357 0.073 1
1 274 . 2 1 1 A 25 25 PRO C C 24 177.800 177.725 0.075 1
1 275 . 2 1 1 A 25 25 PRO CA C 24 64.100 63.887 0.213 1
1 276 . 2 1 1 A 25 25 PRO CB C 24 31.900 32.002 -0.102 1
1 279 . 2 1 1 A 26 26 GLY H H 25 8.520 7.964 0.556 1
1 280 . 2 1 1 A 26 26 GLY HA2 H 25 3.940 3.912 0.028 1
1 281 . 2 1 1 A 26 26 GLY HA3 H 25 3.940 3.915 0.025 1
1 282 . 2 1 1 A 26 26 GLY C C 25 174.400 174.752 -0.352 1
1 283 . 2 1 1 A 26 26 GLY CA C 25 45.500 46.024 -0.524 1
1 284 . 2 1 1 A 26 26 GLY N N 25 108.300 108.683 -0.383 1
1 285 . 2 1 1 A 27 27 ASP H H 26 8.100 8.042 0.058 1
1 286 . 2 1 1 A 27 27 ASP HA H 26 4.610 4.322 0.288 1
1 289 . 2 1 1 A 27 27 ASP C C 26 176.900 178.393 -1.493 1
1 290 . 2 1 1 A 27 27 ASP CA C 26 54.800 56.901 -2.101 1
1 291 . 2 1 1 A 27 27 ASP CB C 26 40.800 41.084 -0.284 1
1 292 . 2 1 1 A 27 27 ASP N N 26 120.700 121.943 -1.243 1
1 293 . 2 1 1 A 28 28 ALA H H 27 8.320 8.066 0.254 1
1 294 . 2 1 1 A 28 28 ALA HA H 27 4.180 4.042 0.138 1
1 298 . 2 1 1 A 28 28 ALA C C 27 179.300 179.794 -0.494 1
1 299 . 2 1 1 A 28 28 ALA CA C 27 54.600 54.892 -0.292 1
1 300 . 2 1 1 A 28 28 ALA CB C 27 18.400 18.111 0.289 1
1 301 . 2 1 1 A 28 28 ALA N N 27 124.100 120.824 3.276 1
1 302 . 2 1 1 A 29 29 ALA H H 28 8.250 7.940 0.310 1
1 303 . 2 1 1 A 29 29 ALA HA H 28 4.230 4.034 0.196 1
1 307 . 2 1 1 A 29 29 ALA C C 28 180.000 179.382 0.618 1
1 308 . 2 1 1 A 29 29 ALA CA C 28 54.300 55.307 -1.007 1
1 309 . 2 1 1 A 29 29 ALA CB C 28 18.200 17.770 0.430 1
1 310 . 2 1 1 A 29 29 ALA N N 28 121.200 120.006 1.194 1
1 311 . 2 1 1 A 30 30 GLN H H 29 8.120 8.016 0.104 1
1 312 . 2 1 1 A 30 30 GLN HA H 29 4.230 4.063 0.167 1
1 317 . 2 1 1 A 30 30 GLN C C 29 177.900 178.157 -0.257 1
1 318 . 2 1 1 A 30 30 GLN CA C 29 57.800 58.740 -0.940 1
1 319 . 2 1 1 A 30 30 GLN CB C 29 28.600 28.107 0.493 1
1 321 . 2 1 1 A 30 30 GLN N N 29 118.800 116.179 2.621 1
1 322 . 2 1 1 A 31 31 GLN H H 30 8.240 8.309 -0.069 1
1 323 . 2 1 1 A 31 31 GLN HA H 30 4.120 4.037 0.083 1
1 328 . 2 1 1 A 31 31 GLN C C 30 178.100 178.361 -0.261 1
1 329 . 2 1 1 A 31 31 GLN CA C 30 58.000 59.087 -1.087 1
1 330 . 2 1 1 A 31 31 GLN CB C 30 28.500 28.543 -0.043 1
1 332 . 2 1 1 A 31 31 GLN N N 30 119.600 119.140 0.460 1
1 333 . 2 1 1 A 32 32 GLU H H 31 8.300 8.429 -0.129 1
1 334 . 2 1 1 A 32 32 GLU HA H 31 4.190 4.062 0.128 1
1 339 . 2 1 1 A 32 32 GLU C C 31 178.100 178.226 -0.126 1
1 340 . 2 1 1 A 32 32 GLU CA C 31 58.600 59.611 -1.011 1
1 341 . 2 1 1 A 32 32 GLU CB C 31 28.800 29.396 -0.596 1
1 343 . 2 1 1 A 32 32 GLU N N 31 120.800 120.207 0.593 1
1 344 . 2 1 1 A 33 33 ALA H H 32 8.070 8.287 -0.217 1
1 345 . 2 1 1 A 33 33 ALA HA H 32 4.160 4.091 0.069 1
1 349 . 2 1 1 A 33 33 ALA C C 32 179.900 179.511 0.389 1
1 350 . 2 1 1 A 33 33 ALA CA C 32 54.900 55.023 -0.123 1
1 351 . 2 1 1 A 33 33 ALA CB C 32 18.200 18.552 -0.352 1
1 352 . 2 1 1 A 33 33 ALA N N 32 123.000 121.475 1.525 1
1 353 . 2 1 1 A 34 34 LYS H H 33 8.050 8.208 -0.158 1
1 354 . 2 1 1 A 34 34 LYS HA H 33 4.150 4.066 0.084 1
1 363 . 2 1 1 A 34 34 LYS C C 33 178.900 179.111 -0.211 1
1 364 . 2 1 1 A 34 34 LYS CA C 33 58.600 59.005 -0.405 1
1 365 . 2 1 1 A 34 34 LYS CB C 33 32.300 31.754 0.546 1
1 369 . 2 1 1 A 34 34 LYS N N 33 118.600 118.742 -0.142 1
1 370 . 2 1 1 A 35 35 HIS H H 34 8.240 8.533 -0.293 1
1 371 . 2 1 1 A 35 35 HIS HA H 34 4.580 4.181 0.399 1
1 374 . 2 1 1 A 35 35 HIS C C 34 176.300 177.358 -1.058 1
1 375 . 2 1 1 A 35 35 HIS CA C 34 57.800 60.164 -2.364 1
1 376 . 2 1 1 A 35 35 HIS CB C 34 28.300 29.878 -1.578 1
1 377 . 2 1 1 A 35 35 HIS N N 34 119.100 119.519 -0.419 1
1 378 . 2 1 1 A 36 36 ARG H H 35 8.390 8.189 0.201 1
1 379 . 2 1 1 A 36 36 ARG HA H 35 4.160 3.799 0.361 1
1 386 . 2 1 1 A 36 36 ARG C C 35 178.500 178.952 -0.452 1
1 387 . 2 1 1 A 36 36 ARG CA C 35 58.800 59.428 -0.628 1
1 388 . 2 1 1 A 36 36 ARG CB C 35 29.200 29.909 -0.709 1
1 391 . 2 1 1 A 36 36 ARG N N 35 120.600 120.355 0.245 1
1 392 . 2 1 1 A 37 37 GLU H H 36 8.240 8.508 -0.268 1
1 393 . 2 1 1 A 37 37 GLU HA H 36 4.080 4.042 0.038 1
1 398 . 2 1 1 A 37 37 GLU C C 36 178.200 178.676 -0.476 1
1 399 . 2 1 1 A 37 37 GLU CA C 36 59.100 59.112 -0.012 1
1 400 . 2 1 1 A 37 37 GLU CB C 36 29.100 29.913 -0.813 1
1 402 . 2 1 1 A 37 37 GLU N N 36 120.400 119.830 0.570 1
1 403 . 2 1 1 A 38 38 ALA H H 37 7.980 8.516 -0.536 1
1 404 . 2 1 1 A 38 38 ALA HA H 37 4.100 4.063 0.037 1
1 408 . 2 1 1 A 38 38 ALA C C 37 179.800 180.070 -0.270 1
1 409 . 2 1 1 A 38 38 ALA CA C 37 55.100 54.942 0.158 1
1 410 . 2 1 1 A 38 38 ALA CB C 37 18.000 18.273 -0.273 1
1 411 . 2 1 1 A 38 38 ALA N N 37 122.000 122.684 -0.684 1
1 412 . 2 1 1 A 39 39 GLU H H 38 8.050 7.684 0.366 1
1 413 . 2 1 1 A 39 39 GLU HA H 38 4.120 3.959 0.161 1
1 418 . 2 1 1 A 39 39 GLU C C 38 179.000 179.540 -0.540 1
1 419 . 2 1 1 A 39 39 GLU CA C 38 58.800 59.170 -0.370 1
1 420 . 2 1 1 A 39 39 GLU CB C 38 29.100 29.286 -0.186 1
1 422 . 2 1 1 A 39 39 GLU N N 38 118.200 117.808 0.392 1
1 423 . 2 1 1 A 40 40 MET H H 39 8.130 7.952 0.178 1
1 424 . 2 1 1 A 40 40 MET HA H 39 4.200 4.201 -0.001 1
1 429 . 2 1 1 A 40 40 MET C C 39 178.200 178.745 -0.545 1
1 430 . 2 1 1 A 40 40 MET CA C 39 58.100 58.851 -0.751 1
1 431 . 2 1 1 A 40 40 MET CB C 39 32.300 32.770 -0.470 1
1 433 . 2 1 1 A 40 40 MET N N 39 120.300 119.388 0.912 1
1 434 . 2 1 1 A 41 41 ARG HA H 40 3.890 4.125 -0.235 1
1 441 . 2 1 1 A 41 41 ARG C C 40 177.700 179.145 -1.445 1
1 442 . 2 1 1 A 41 41 ARG CA C 40 59.500 59.355 0.145 1
1 443 . 2 1 1 A 41 41 ARG CB C 40 30.300 29.952 0.348 1
1 444 . 2 1 1 A 42 42 ASN H H 41 8.190 8.611 -0.421 1
1 445 . 2 1 1 A 42 42 ASN HA H 41 4.440 4.464 -0.024 1
1 450 . 2 1 1 A 42 42 ASN C C 41 177.700 177.672 0.028 1
1 451 . 2 1 1 A 42 42 ASN CA C 41 55.900 56.534 -0.634 1
1 452 . 2 1 1 A 42 42 ASN CB C 41 38.100 39.849 -1.749 1
1 453 . 2 1 1 A 42 42 ASN N N 41 116.300 118.628 -2.328 1
1 455 . 2 1 1 A 43 43 SER H H 42 8.130 7.485 0.645 1
1 456 . 2 1 1 A 43 43 SER HA H 42 4.300 4.069 0.231 1
1 459 . 2 1 1 A 43 43 SER C C 42 176.600 176.801 -0.201 1
1 460 . 2 1 1 A 43 43 SER CA C 42 61.200 62.292 -1.092 1
1 461 . 2 1 1 A 43 43 SER CB C 42 63.100 63.002 0.098 1
1 462 . 2 1 1 A 43 43 SER N N 42 116.300 116.477 -0.177 1
1 463 . 2 1 1 A 44 44 ILE H H 43 7.940 7.772 0.168 1
1 464 . 2 1 1 A 44 44 ILE HA H 43 3.860 3.838 0.022 1
1 474 . 2 1 1 A 44 44 ILE C C 43 178.400 178.123 0.277 1
1 475 . 2 1 1 A 44 44 ILE CA C 43 64.500 64.497 0.003 1
1 476 . 2 1 1 A 44 44 ILE CB C 43 37.900 37.698 0.202 1
1 480 . 2 1 1 A 44 44 ILE N N 43 122.500 118.778 3.722 1
1 481 . 2 1 1 A 45 45 LEU H H 44 8.070 8.659 -0.589 1
1 482 . 2 1 1 A 45 45 LEU HA H 44 3.940 3.920 0.020 1
1 492 . 2 1 1 A 45 45 LEU C C 44 178.200 178.994 -0.794 1
1 493 . 2 1 1 A 45 45 LEU CA C 44 58.100 57.971 0.129 1
1 494 . 2 1 1 A 45 45 LEU CB C 44 41.100 41.193 -0.093 1
1 498 . 2 1 1 A 45 45 LEU N N 44 119.100 122.789 -3.689 1
1 499 . 2 1 1 A 46 46 ALA H H 45 7.760 8.292 -0.532 1
1 500 . 2 1 1 A 46 46 ALA HA H 45 4.100 4.126 -0.026 1
1 504 . 2 1 1 A 46 46 ALA C C 45 178.700 178.136 0.564 1
1 505 . 2 1 1 A 46 46 ALA CA C 45 54.100 54.599 -0.499 1
1 506 . 2 1 1 A 46 46 ALA CB C 45 18.100 18.225 -0.125 1
1 507 . 2 1 1 A 46 46 ALA N N 45 117.600 121.680 -4.080 1
1 508 . 2 1 1 A 47 47 GLN H H 46 7.570 7.500 0.070 1
1 509 . 2 1 1 A 47 47 GLN HA H 46 4.270 4.227 0.043 1
1 514 . 2 1 1 A 47 47 GLN C C 46 177.800 177.282 0.518 1
1 515 . 2 1 1 A 47 47 GLN CA C 46 57.300 58.177 -0.877 1
1 516 . 2 1 1 A 47 47 GLN CB C 46 29.500 28.585 0.915 1
1 518 . 2 1 1 A 47 47 GLN N N 46 114.300 116.549 -2.249 1
1 519 . 2 1 1 A 48 48 VAL H H 47 7.690 7.024 0.666 1
1 520 . 2 1 1 A 48 48 VAL HA H 47 4.380 4.125 0.255 1
1 528 . 2 1 1 A 48 48 VAL C C 47 174.400 175.978 -1.578 1
1 529 . 2 1 1 A 48 48 VAL CA C 47 62.600 63.837 -1.237 1
1 530 . 2 1 1 A 48 48 VAL CB C 47 32.800 32.605 0.195 1
1 533 . 2 1 1 A 48 48 VAL N N 47 111.900 111.051 0.849 1
1 534 . 2 1 1 A 49 49 LEU H H 48 7.480 8.009 -0.529 1
1 535 . 2 1 1 A 49 49 LEU HA H 48 4.910 4.524 0.386 1
1 545 . 2 1 1 A 49 49 LEU C C 48 177.000 176.064 0.936 1
1 546 . 2 1 1 A 49 49 LEU CA C 48 53.700 54.502 -0.802 1
1 547 . 2 1 1 A 49 49 LEU CB C 48 44.500 41.830 2.670 1
1 551 . 2 1 1 A 49 49 LEU N N 48 119.600 123.710 -4.110 1
1 552 . 2 1 1 A 50 50 ASP H H 49 8.430 9.152 -0.722 1
1 553 . 2 1 1 A 50 50 ASP HA H 49 4.630 4.720 -0.090 1
1 556 . 2 1 1 A 50 50 ASP C C 49 176.000 177.041 -1.041 1
1 557 . 2 1 1 A 50 50 ASP CA C 49 53.000 52.855 0.145 1
1 558 . 2 1 1 A 50 50 ASP CB C 49 40.200 42.341 -2.141 1
1 559 . 2 1 1 A 50 50 ASP N N 49 121.200 125.235 -4.035 1
1 560 . 2 1 1 A 51 51 GLN H H 50 8.580 8.946 -0.366 1
1 561 . 2 1 1 A 51 51 GLN HA H 50 3.950 3.906 0.044 1
1 566 . 2 1 1 A 51 51 GLN C C 50 178.800 177.613 1.187 1
1 567 . 2 1 1 A 51 51 GLN CA C 50 60.200 59.570 0.630 1
1 568 . 2 1 1 A 51 51 GLN CB C 50 28.300 28.817 -0.517 1
1 570 . 2 1 1 A 51 51 GLN N N 50 118.200 125.235 -7.035 1
1 571 . 2 1 1 A 52 52 SER H H 51 8.430 8.038 0.392 1
1 572 . 2 1 1 A 52 52 SER HA H 51 4.320 4.318 0.002 1
1 575 . 2 1 1 A 52 52 SER C C 51 177.200 176.548 0.652 1
1 576 . 2 1 1 A 52 52 SER CA C 51 61.500 61.158 0.342 1
1 577 . 2 1 1 A 52 52 SER CB C 51 62.400 63.424 -1.024 1
1 578 . 2 1 1 A 52 52 SER N N 51 117.000 117.186 -0.186 1
1 579 . 2 1 1 A 53 53 ALA H H 52 8.760 7.969 0.791 1
1 580 . 2 1 1 A 53 53 ALA HA H 52 3.960 3.973 -0.013 1
1 584 . 2 1 1 A 53 53 ALA C C 52 178.900 179.635 -0.735 1
1 585 . 2 1 1 A 53 53 ALA CA C 52 55.400 55.146 0.254 1
1 586 . 2 1 1 A 53 53 ALA CB C 52 19.200 18.254 0.946 1
1 587 . 2 1 1 A 53 53 ALA N N 52 127.400 122.934 4.466 1
1 588 . 2 1 1 A 54 54 ARG H H 53 8.640 7.575 1.065 1
1 589 . 2 1 1 A 54 54 ARG HA H 53 3.880 4.003 -0.123 1
1 596 . 2 1 1 A 54 54 ARG C C 53 179.000 178.957 0.043 1
1 597 . 2 1 1 A 54 54 ARG CA C 53 59.700 59.527 0.173 1
1 598 . 2 1 1 A 54 54 ARG CB C 53 29.900 29.632 0.268 1
1 601 . 2 1 1 A 54 54 ARG N N 53 118.200 117.884 0.316 1
1 602 . 2 1 1 A 55 55 ALA H H 54 7.960 8.106 -0.146 1
1 603 . 2 1 1 A 55 55 ALA HA H 54 4.190 4.025 0.165 1
1 607 . 2 1 1 A 55 55 ALA C C 54 180.100 179.310 0.790 1
1 608 . 2 1 1 A 55 55 ALA CA C 54 55.100 55.317 -0.217 1
1 609 . 2 1 1 A 55 55 ALA CB C 54 17.700 18.326 -0.626 1
1 610 . 2 1 1 A 55 55 ALA N N 54 122.200 122.378 -0.178 1
1 611 . 2 1 1 A 56 56 ARG H H 55 7.800 8.243 -0.443 1
1 612 . 2 1 1 A 56 56 ARG HA H 55 4.160 4.069 0.091 1
1 619 . 2 1 1 A 56 56 ARG C C 55 178.900 178.390 0.510 1
1 620 . 2 1 1 A 56 56 ARG CA C 55 58.300 59.140 -0.840 1
1 621 . 2 1 1 A 56 56 ARG CB C 55 29.100 29.846 -0.746 1
1 624 . 2 1 1 A 56 56 ARG N N 55 119.100 118.513 0.587 1
1 625 . 2 1 1 A 57 57 LEU H H 56 8.390 8.254 0.136 1
1 626 . 2 1 1 A 57 57 LEU HA H 56 4.060 4.075 -0.015 1
1 635 . 2 1 1 A 57 57 LEU C C 56 178.100 178.381 -0.281 1
1 636 . 2 1 1 A 57 57 LEU CA C 56 57.800 58.061 -0.261 1
1 637 . 2 1 1 A 57 57 LEU CB C 56 41.600 41.401 0.199 1
1 641 . 2 1 1 A 57 57 LEU N N 56 120.600 121.164 -0.564 1
1 642 . 2 1 1 A 58 58 SER H H 57 8.150 8.272 -0.122 1
1 643 . 2 1 1 A 58 58 SER HA H 57 4.210 4.140 0.070 1
1 646 . 2 1 1 A 58 58 SER C C 57 176.500 177.297 -0.797 1
1 647 . 2 1 1 A 58 58 SER CA C 57 61.800 61.478 0.322 1
1 648 . 2 1 1 A 58 58 SER CB C 57 62.600 62.816 -0.216 1
1 649 . 2 1 1 A 58 58 SER N N 57 114.100 114.715 -0.615 1
1 650 . 2 1 1 A 59 59 ASN H H 58 7.700 8.389 -0.689 1
1 651 . 2 1 1 A 59 59 ASN HA H 58 4.580 4.498 0.082 1
1 656 . 2 1 1 A 59 59 ASN C C 58 178.000 177.476 0.524 1
1 657 . 2 1 1 A 59 59 ASN CA C 58 56.200 56.817 -0.617 1
1 658 . 2 1 1 A 59 59 ASN CB C 58 38.700 38.852 -0.152 1
1 659 . 2 1 1 A 59 59 ASN N N 58 119.500 119.411 0.089 1
1 661 . 2 1 1 A 60 60 LEU H H 59 8.250 8.414 -0.164 1
1 662 . 2 1 1 A 60 60 LEU HA H 59 4.070 4.074 -0.004 1
1 671 . 2 1 1 A 60 60 LEU C C 59 178.400 178.466 -0.066 1
1 672 . 2 1 1 A 60 60 LEU CA C 59 57.500 57.831 -0.331 1
1 673 . 2 1 1 A 60 60 LEU CB C 59 42.100 41.545 0.555 1
1 677 . 2 1 1 A 60 60 LEU N N 59 123.000 120.618 2.382 1
1 678 . 2 1 1 A 61 61 ALA H H 60 8.070 8.303 -0.233 1
1 679 . 2 1 1 A 61 61 ALA HA H 60 3.910 4.384 -0.474 1
1 683 . 2 1 1 A 61 61 ALA C C 60 178.400 180.510 -2.110 1
1 684 . 2 1 1 A 61 61 ALA CA C 60 54.600 55.042 -0.442 1
1 685 . 2 1 1 A 61 61 ALA CB C 60 18.200 18.287 -0.087 1
1 686 . 2 1 1 A 61 61 ALA N N 60 120.700 120.324 0.376 1
1 687 . 2 1 1 A 62 62 LEU H H 61 7.170 7.860 -0.690 1
1 688 . 2 1 1 A 62 62 LEU HA H 61 4.200 4.016 0.184 1
1 695 . 2 1 1 A 62 62 LEU C C 61 178.300 178.938 -0.638 1
1 696 . 2 1 1 A 62 62 LEU CA C 61 56.500 57.769 -1.269 1
1 697 . 2 1 1 A 62 62 LEU CB C 61 42.100 41.911 0.189 1
1 701 . 2 1 1 A 62 62 LEU N N 61 113.700 119.810 -6.110 1
1 702 . 2 1 1 A 63 63 VAL H H 62 7.330 7.357 -0.027 1
1 703 . 2 1 1 A 63 63 VAL HA H 62 4.380 3.902 0.478 1
1 711 . 2 1 1 A 63 63 VAL C C 62 176.200 175.702 0.498 1
1 712 . 2 1 1 A 63 63 VAL CA C 62 62.800 64.752 -1.952 1
1 713 . 2 1 1 A 63 63 VAL CB C 62 33.900 31.964 1.936 1
1 716 . 2 1 1 A 63 63 VAL N N 62 112.500 114.615 -2.115 1
1 717 . 2 1 1 A 64 64 LYS H H 63 8.710 8.100 0.610 1
1 718 . 2 1 1 A 64 64 LYS HA H 63 5.000 4.720 0.280 1
1 727 . 2 1 1 A 64 64 LYS C C 63 174.200 174.971 -0.771 1
1 728 . 2 1 1 A 64 64 LYS CA C 63 53.600 54.253 -0.653 1
1 729 . 2 1 1 A 64 64 LYS CB C 63 33.400 32.663 0.737 1
1 733 . 2 1 1 A 64 64 LYS N N 63 120.400 120.717 -0.317 1
1 734 . 2 1 1 A 65 65 PRO HA H 64 4.360 4.719 -0.359 1
1 741 . 2 1 1 A 65 65 PRO C C 64 179.400 177.927 1.473 1
1 742 . 2 1 1 A 65 65 PRO CA C 64 66.000 64.482 1.518 1
1 743 . 2 1 1 A 65 65 PRO CB C 64 31.400 31.948 -0.548 1
1 746 . 2 1 1 A 66 66 GLU H H 65 8.920 8.411 0.509 1
1 747 . 2 1 1 A 66 66 GLU HA H 65 4.200 4.047 0.153 1
1 752 . 2 1 1 A 66 66 GLU C C 65 179.600 179.292 0.308 1
1 753 . 2 1 1 A 66 66 GLU CA C 65 59.400 59.776 -0.376 1
1 754 . 2 1 1 A 66 66 GLU CB C 65 28.300 28.959 -0.659 1
1 756 . 2 1 1 A 66 66 GLU N N 65 118.700 118.291 0.409 1
1 757 . 2 1 1 A 67 67 LYS H H 66 8.000 7.659 0.341 1
1 758 . 2 1 1 A 67 67 LYS HA H 66 4.160 4.135 0.025 1
1 767 . 2 1 1 A 67 67 LYS C C 66 178.400 179.107 -0.707 1
1 768 . 2 1 1 A 67 67 LYS CA C 66 58.500 58.800 -0.300 1
1 769 . 2 1 1 A 67 67 LYS CB C 66 32.300 32.103 0.197 1
1 773 . 2 1 1 A 67 67 LYS N N 66 121.300 119.015 2.285 1
1 774 . 2 1 1 A 68 68 THR H H 67 7.960 7.631 0.329 1
1 775 . 2 1 1 A 68 68 THR HA H 67 4.130 3.866 0.264 1
1 780 . 2 1 1 A 68 68 THR C C 67 176.200 175.892 0.308 1
1 781 . 2 1 1 A 68 68 THR CA C 67 67.800 67.108 0.692 1
1 782 . 2 1 1 A 68 68 THR CB C 67 67.800 68.138 -0.338 1
1 784 . 2 1 1 A 68 68 THR N N 67 114.200 117.328 -3.128 1
1 785 . 2 1 1 A 69 69 LYS H H 68 7.770 8.402 -0.632 1
1 786 . 2 1 1 A 69 69 LYS HA H 68 3.990 3.922 0.068 1
1 795 . 2 1 1 A 69 69 LYS C C 68 178.100 178.793 -0.693 1
1 796 . 2 1 1 A 69 69 LYS CA C 68 59.400 59.441 -0.041 1
1 797 . 2 1 1 A 69 69 LYS CB C 68 31.700 32.324 -0.624 1
1 801 . 2 1 1 A 69 69 LYS N N 68 122.000 121.561 0.439 1
1 802 . 2 1 1 A 70 70 ALA H H 69 7.480 7.214 0.266 1
1 803 . 2 1 1 A 70 70 ALA HA H 69 4.240 4.070 0.170 1
1 807 . 2 1 1 A 70 70 ALA C C 69 181.200 179.460 1.740 1
1 808 . 2 1 1 A 70 70 ALA CA C 69 55.200 55.075 0.125 1
1 809 . 2 1 1 A 70 70 ALA CB C 69 17.900 18.468 -0.568 1
1 810 . 2 1 1 A 70 70 ALA N N 69 120.300 120.917 -0.617 1
1 811 . 2 1 1 A 71 71 VAL H H 70 8.160 8.197 -0.037 1
1 812 . 2 1 1 A 71 71 VAL HA H 70 3.620 3.833 -0.213 1
1 820 . 2 1 1 A 71 71 VAL C C 70 177.400 178.225 -0.825 1
1 821 . 2 1 1 A 71 71 VAL CA C 70 66.600 65.273 1.327 1
1 822 . 2 1 1 A 71 71 VAL CB C 70 31.500 31.543 -0.043 1
1 825 . 2 1 1 A 71 71 VAL N N 70 120.300 116.070 4.230 1
1 826 . 2 1 1 A 72 72 GLU H H 71 8.690 8.925 -0.235 1
1 827 . 2 1 1 A 72 72 GLU HA H 71 3.800 4.006 -0.206 1
1 832 . 2 1 1 A 72 72 GLU C C 71 178.000 178.877 -0.877 1
1 833 . 2 1 1 A 72 72 GLU CA C 71 60.400 59.627 0.773 1
1 834 . 2 1 1 A 72 72 GLU CB C 71 29.200 29.120 0.080 1
1 836 . 2 1 1 A 72 72 GLU N N 71 119.300 122.396 -3.096 1
1 837 . 2 1 1 A 73 73 ASN H H 72 8.460 7.815 0.645 1
1 838 . 2 1 1 A 73 73 ASN HA H 72 4.440 4.438 0.002 1
1 843 . 2 1 1 A 73 73 ASN C C 72 177.600 177.035 0.565 1
1 844 . 2 1 1 A 73 73 ASN CA C 72 56.200 56.410 -0.210 1
1 845 . 2 1 1 A 73 73 ASN CB C 72 37.600 39.748 -2.148 1
1 846 . 2 1 1 A 73 73 ASN N N 72 115.900 118.702 -2.802 1
1 848 . 2 1 1 A 74 74 TYR H H 73 7.940 8.323 -0.383 1
1 849 . 2 1 1 A 74 74 TYR HA H 73 4.200 4.242 -0.042 1
1 856 . 2 1 1 A 74 74 TYR C C 73 177.600 177.077 0.523 1
1 857 . 2 1 1 A 74 74 TYR CA C 73 61.500 61.438 0.062 1
1 858 . 2 1 1 A 74 74 TYR CB C 73 38.400 38.947 -0.547 1
1 863 . 2 1 1 A 74 74 TYR N N 73 122.400 120.472 1.928 1
1 864 . 2 1 1 A 75 75 LEU H H 74 8.410 8.810 -0.400 1
1 865 . 2 1 1 A 75 75 LEU HA H 74 3.930 3.930 0.000 1
1 875 . 2 1 1 A 75 75 LEU C C 74 178.500 179.127 -0.627 1
1 876 . 2 1 1 A 75 75 LEU CA C 74 58.100 58.008 0.092 1
1 877 . 2 1 1 A 75 75 LEU CB C 74 42.600 41.531 1.069 1
1 881 . 2 1 1 A 75 75 LEU N N 74 119.500 120.522 -1.022 1
1 882 . 2 1 1 A 76 76 ILE H H 75 8.400 8.307 0.093 1
1 883 . 2 1 1 A 76 76 ILE HA H 75 3.570 3.470 0.100 1
1 890 . 2 1 1 A 76 76 ILE C C 75 178.100 178.166 -0.066 1
1 891 . 2 1 1 A 76 76 ILE CA C 75 65.200 65.455 -0.255 1
1 892 . 2 1 1 A 76 76 ILE CB C 75 37.800 37.851 -0.051 1
1 896 . 2 1 1 A 76 76 ILE N N 75 118.600 119.679 -1.079 1
1 897 . 2 1 1 A 77 77 GLN H H 76 7.830 8.401 -0.571 1
1 898 . 2 1 1 A 77 77 GLN HA H 76 3.920 4.010 -0.090 1
1 903 . 2 1 1 A 77 77 GLN C C 76 178.100 177.979 0.121 1
1 904 . 2 1 1 A 77 77 GLN CA C 76 59.100 59.068 0.032 1
1 905 . 2 1 1 A 77 77 GLN CB C 76 28.000 28.333 -0.333 1
1 907 . 2 1 1 A 77 77 GLN N N 76 119.300 120.488 -1.188 1
1 908 . 2 1 1 A 78 78 MET H H 77 8.060 8.166 -0.106 1
1 909 . 2 1 1 A 78 78 MET HA H 77 4.040 4.017 0.023 1
1 912 . 2 1 1 A 78 78 MET C C 77 178.700 177.299 1.401 1
1 913 . 2 1 1 A 78 78 MET CA C 77 58.600 58.346 0.254 1
1 914 . 2 1 1 A 78 78 MET CB C 77 33.000 31.983 1.017 1
1 916 . 2 1 1 A 78 78 MET N N 77 117.600 118.671 -1.071 1
1 917 . 2 1 1 A 79 79 ALA H H 78 8.210 8.370 -0.160 1
1 918 . 2 1 1 A 79 79 ALA HA H 78 4.190 3.925 0.265 1
1 922 . 2 1 1 A 79 79 ALA C C 78 180.600 179.654 0.946 1
1 923 . 2 1 1 A 79 79 ALA CA C 78 54.100 55.483 -1.383 1
1 924 . 2 1 1 A 79 79 ALA CB C 78 18.400 18.049 0.351 1
1 925 . 2 1 1 A 79 79 ALA N N 78 121.400 121.186 0.214 1
1 926 . 2 1 1 A 80 80 ARG H H 79 8.120 7.806 0.314 1
1 927 . 2 1 1 A 80 80 ARG HA H 79 3.960 4.069 -0.109 1
1 934 . 2 1 1 A 80 80 ARG C C 79 177.900 177.488 0.412 1
1 935 . 2 1 1 A 80 80 ARG CA C 79 58.800 58.862 -0.062 1
1 936 . 2 1 1 A 80 80 ARG CB C 79 29.900 29.459 0.441 1
1 939 . 2 1 1 A 80 80 ARG N N 79 119.100 118.126 0.974 1
1 940 . 2 1 1 A 81 81 TYR H H 80 7.800 7.343 0.457 1
1 941 . 2 1 1 A 81 81 TYR HA H 80 4.710 4.589 0.121 1
1 948 . 2 1 1 A 81 81 TYR C C 80 176.500 176.035 0.465 1
1 949 . 2 1 1 A 81 81 TYR CA C 80 57.500 58.002 -0.502 1
1 950 . 2 1 1 A 81 81 TYR CB C 80 38.100 38.721 -0.621 1
1 955 . 2 1 1 A 81 81 TYR N N 80 115.900 116.015 -0.115 1
1 956 . 2 1 1 A 82 82 GLY H H 81 7.850 7.788 0.062 1
1 957 . 2 1 1 A 82 82 GLY HA2 H 81 4.030 3.945 0.085 1
1 958 . 2 1 1 A 82 82 GLY HA3 H 81 4.030 3.948 0.082 1
1 959 . 2 1 1 A 82 82 GLY C C 81 174.900 175.328 -0.428 1
1 960 . 2 1 1 A 82 82 GLY CA C 81 46.300 46.258 0.042 1
1 961 . 2 1 1 A 82 82 GLY N N 81 108.500 108.759 -0.259 1
1 962 . 2 1 1 A 83 83 GLN H H 82 8.200 7.748 0.452 1
1 963 . 2 1 1 A 83 83 GLN HA H 82 4.310 4.285 0.025 1
1 968 . 2 1 1 A 83 83 GLN C C 82 175.500 175.621 -0.121 1
1 969 . 2 1 1 A 83 83 GLN CA C 82 55.700 55.420 0.280 1
1 970 . 2 1 1 A 83 83 GLN CB C 82 29.400 27.961 1.439 1
1 972 . 2 1 1 A 83 83 GLN N N 82 116.900 118.924 -2.024 1
1 973 . 2 1 1 A 84 84 LEU H H 83 7.990 7.339 0.651 1
1 974 . 2 1 1 A 84 84 LEU HA H 83 4.610 4.190 0.420 1
1 984 . 2 1 1 A 84 84 LEU C C 83 176.500 175.587 0.913 1
1 985 . 2 1 1 A 84 84 LEU CA C 83 54.300 55.224 -0.924 1
1 986 . 2 1 1 A 84 84 LEU CB C 83 42.600 42.472 0.128 1
1 990 . 2 1 1 A 84 84 LEU N N 83 121.400 123.436 -2.036 1
1 991 . 2 1 1 A 85 85 SER H H 84 8.630 8.749 -0.119 1
1 992 . 2 1 1 A 85 85 SER HA H 84 4.410 4.807 -0.397 1
1 995 . 2 1 1 A 85 85 SER C C 84 173.700 173.735 -0.035 1
1 996 . 2 1 1 A 85 85 SER CA C 84 59.400 57.503 1.897 1
1 997 . 2 1 1 A 85 85 SER CB C 84 63.900 65.018 -1.118 1
1 998 . 2 1 1 A 85 85 SER N N 84 118.400 118.079 0.321 1
1 999 . 2 1 1 A 86 86 GLU H H 85 7.690 8.881 -1.191 1
1 1000 . 2 1 1 A 86 86 GLU HA H 85 4.530 4.435 0.095 1
1 1005 . 2 1 1 A 86 86 GLU C C 85 175.400 175.684 -0.284 1
1 1006 . 2 1 1 A 86 86 GLU CA C 85 54.900 56.784 -1.884 1
1 1007 . 2 1 1 A 86 86 GLU CB C 85 31.200 30.291 0.909 1
1 1009 . 2 1 1 A 86 86 GLU N N 85 119.400 126.238 -6.838 1
1 1010 . 2 1 1 A 87 87 LYS H H 86 8.380 8.528 -0.148 1
1 1011 . 2 1 1 A 87 87 LYS HA H 86 4.230 4.402 -0.172 1
1 1018 . 2 1 1 A 87 87 LYS C C 86 176.900 176.841 0.059 1
1 1019 . 2 1 1 A 87 87 LYS CA C 86 57.000 57.055 -0.055 1
1 1020 . 2 1 1 A 87 87 LYS CB C 86 33.300 33.118 0.182 1
1 1024 . 2 1 1 A 87 87 LYS N N 86 120.400 122.748 -2.348 1
1 1025 . 2 1 1 A 88 88 VAL H H 87 8.960 9.260 -0.300 1
1 1026 . 2 1 1 A 88 88 VAL HA H 87 3.970 4.194 -0.224 1
1 1034 . 2 1 1 A 88 88 VAL C C 87 174.700 175.945 -1.245 1
1 1035 . 2 1 1 A 88 88 VAL CA C 87 63.300 62.763 0.537 1
1 1036 . 2 1 1 A 88 88 VAL CB C 87 32.400 31.473 0.927 1
1 1038 . 2 1 1 A 88 88 VAL N N 87 125.200 123.279 1.921 1
1 1039 . 2 1 1 A 89 89 SER H H 88 8.190 8.810 -0.620 1
1 1040 . 2 1 1 A 89 89 SER HA H 88 4.990 4.914 0.076 1
1 1043 . 2 1 1 A 89 89 SER C C 88 175.700 175.652 0.048 1
1 1044 . 2 1 1 A 89 89 SER CA C 88 56.200 56.433 -0.233 1
1 1045 . 2 1 1 A 89 89 SER CB C 88 66.600 64.946 1.654 1
1 1046 . 2 1 1 A 89 89 SER N N 88 121.700 122.938 -1.238 1
1 1047 . 2 1 1 A 90 90 GLU H H 89 9.230 8.761 0.469 1
1 1048 . 2 1 1 A 90 90 GLU HA H 89 3.720 3.971 -0.251 1
1 1053 . 2 1 1 A 90 90 GLU C C 89 177.700 178.955 -1.255 1
1 1054 . 2 1 1 A 90 90 GLU CA C 89 61.200 59.867 1.333 1
1 1055 . 2 1 1 A 90 90 GLU CB C 89 29.100 29.241 -0.141 1
1 1057 . 2 1 1 A 90 90 GLU N N 89 121.600 119.967 1.633 1
1 1058 . 2 1 1 A 91 91 GLN H H 90 8.430 7.998 0.432 1
1 1059 . 2 1 1 A 91 91 GLN HA H 90 4.040 3.985 0.055 1
1 1066 . 2 1 1 A 91 91 GLN C C 90 178.900 178.586 0.314 1
1 1067 . 2 1 1 A 91 91 GLN CA C 90 59.100 59.407 -0.307 1
1 1068 . 2 1 1 A 91 91 GLN CB C 90 27.800 28.162 -0.362 1
1 1070 . 2 1 1 A 91 91 GLN N N 90 117.100 119.861 -2.761 1
1 1072 . 2 1 1 A 92 92 GLY H H 91 8.080 8.048 0.032 1
1 1073 . 2 1 1 A 92 92 GLY HA2 H 91 3.890 3.726 0.164 1
1 1074 . 2 1 1 A 92 92 GLY HA3 H 91 3.890 3.729 0.161 1
1 1075 . 2 1 1 A 92 92 GLY C C 91 176.600 175.790 0.810 1
1 1076 . 2 1 1 A 92 92 GLY CA C 91 46.900 47.358 -0.458 1
1 1077 . 2 1 1 A 92 92 GLY N N 91 109.400 107.522 1.878 1
1 1078 . 2 1 1 A 93 93 LEU H H 92 8.610 8.606 0.004 1
1 1079 . 2 1 1 A 93 93 LEU HA H 92 4.000 4.190 -0.190 1
1 1089 . 2 1 1 A 93 93 LEU C C 92 178.000 178.590 -0.590 1
1 1090 . 2 1 1 A 93 93 LEU CA C 92 57.500 57.144 0.356 1
1 1091 . 2 1 1 A 93 93 LEU CB C 92 41.800 41.518 0.282 1
1 1095 . 2 1 1 A 93 93 LEU N N 92 123.700 122.210 1.490 1
1 1096 . 2 1 1 A 94 94 ILE H H 93 7.970 8.476 -0.506 1
1 1097 . 2 1 1 A 94 94 ILE HA H 93 3.640 3.528 0.112 1
1 1107 . 2 1 1 A 94 94 ILE C C 93 178.500 178.173 0.327 1
1 1108 . 2 1 1 A 94 94 ILE CA C 93 64.800 64.838 -0.038 1
1 1109 . 2 1 1 A 94 94 ILE CB C 93 37.100 37.449 -0.349 1
1 1113 . 2 1 1 A 94 94 ILE N N 93 119.900 119.822 0.078 1
1 1114 . 2 1 1 A 95 95 GLU H H 94 7.610 8.328 -0.718 1
1 1115 . 2 1 1 A 95 95 GLU HA H 94 4.090 3.972 0.118 1
1 1120 . 2 1 1 A 95 95 GLU C C 94 179.400 179.195 0.205 1
1 1121 . 2 1 1 A 95 95 GLU CA C 94 59.200 59.228 -0.028 1
1 1122 . 2 1 1 A 95 95 GLU CB C 94 28.800 29.513 -0.713 1
1 1124 . 2 1 1 A 95 95 GLU N N 94 118.800 121.591 -2.791 1
1 1125 . 2 1 1 A 96 96 ILE H H 95 7.840 7.969 -0.129 1
1 1126 . 2 1 1 A 96 96 ILE HA H 95 3.520 3.579 -0.059 1
1 1136 . 2 1 1 A 96 96 ILE C C 95 177.500 178.021 -0.521 1
1 1137 . 2 1 1 A 96 96 ILE CA C 95 65.500 64.985 0.515 1
1 1138 . 2 1 1 A 96 96 ILE CB C 95 37.900 37.326 0.574 1
1 1142 . 2 1 1 A 96 96 ILE N N 95 121.600 119.976 1.624 1
1 1143 . 2 1 1 A 97 97 LEU H H 96 8.620 8.632 -0.012 1
1 1144 . 2 1 1 A 97 97 LEU HA H 96 3.800 3.987 -0.187 1
1 1151 . 2 1 1 A 97 97 LEU C C 96 179.400 178.607 0.793 1
1 1152 . 2 1 1 A 97 97 LEU CA C 96 58.600 58.443 0.157 1
1 1153 . 2 1 1 A 97 97 LEU CB C 96 41.500 41.805 -0.305 1
1 1156 . 2 1 1 A 97 97 LEU N N 96 120.400 121.523 -1.123 1
1 1157 . 2 1 1 A 98 98 LYS H H 97 7.750 8.440 -0.690 1
1 1158 . 2 1 1 A 98 98 LYS HA H 97 3.990 3.864 0.126 1
1 1167 . 2 1 1 A 98 98 LYS C C 97 178.600 179.907 -1.307 1
1 1168 . 2 1 1 A 98 98 LYS CA C 97 59.400 60.371 -0.971 1
1 1169 . 2 1 1 A 98 98 LYS CB C 97 32.300 32.193 0.107 1
1 1172 . 2 1 1 A 98 98 LYS N N 97 119.000 119.460 -0.460 1
1 1173 . 2 1 1 A 99 99 LYS H H 98 7.710 7.780 -0.070 1
1 1174 . 2 1 1 A 99 99 LYS HA H 98 4.110 3.969 0.141 1
1 1183 . 2 1 1 A 99 99 LYS C C 98 179.100 179.282 -0.182 1
1 1184 . 2 1 1 A 99 99 LYS CA C 98 59.100 59.184 -0.084 1
1 1185 . 2 1 1 A 99 99 LYS CB C 98 32.500 32.396 0.104 1
1 1189 . 2 1 1 A 99 99 LYS N N 98 119.500 119.748 -0.248 1
1 1190 . 2 1 1 A 100 100 VAL H H 99 8.210 7.649 0.561 1
1 1191 . 2 1 1 A 100 100 VAL HA H 99 3.920 3.918 0.002 1
1 1196 . 2 1 1 A 100 100 VAL C C 99 177.600 178.005 -0.405 1
1 1197 . 2 1 1 A 100 100 VAL CA C 99 64.200 64.535 -0.335 1
1 1198 . 2 1 1 A 100 100 VAL CB C 99 31.500 31.332 0.168 1
1 1200 . 2 1 1 A 100 100 VAL N N 99 115.800 115.394 0.406 1
1 1201 . 2 1 1 A 101 101 SER H H 100 7.900 8.082 -0.182 1
1 1202 . 2 1 1 A 101 101 SER HA H 100 4.340 4.260 0.080 1
1 1205 . 2 1 1 A 101 101 SER C C 100 174.600 176.209 -1.609 1
1 1206 . 2 1 1 A 101 101 SER CA C 100 60.400 61.579 -1.179 1
1 1207 . 2 1 1 A 101 101 SER CB C 100 63.600 63.732 -0.132 1
1 1208 . 2 1 1 A 101 101 SER N N 100 116.500 118.744 -2.244 1
1 1209 . 2 1 1 A 102 102 GLN H H 101 7.860 8.524 -0.664 1
1 1210 . 2 1 1 A 102 102 GLN HA H 101 4.280 4.100 0.180 1
1 1215 . 2 1 1 A 102 102 GLN C C 101 176.400 177.704 -1.304 1
1 1216 . 2 1 1 A 102 102 GLN CA C 101 56.800 58.824 -2.024 1
1 1217 . 2 1 1 A 102 102 GLN CB C 101 28.900 28.621 0.279 1
1 1219 . 2 1 1 A 102 102 GLN N N 101 120.100 121.107 -1.007 1
1 1220 . 2 1 1 A 103 103 GLN H H 102 8.080 7.893 0.187 1
1 1221 . 2 1 1 A 103 103 GLN HA H 102 4.360 4.391 -0.031 1
1 1226 . 2 1 1 A 103 103 GLN C C 102 176.500 175.229 1.271 1
1 1227 . 2 1 1 A 103 103 GLN CA C 102 56.700 55.378 1.322 1
1 1228 . 2 1 1 A 103 103 GLN CB C 102 29.000 29.772 -0.772 1
1 1230 . 2 1 1 A 103 103 GLN N N 102 119.700 115.809 3.891 1
1 1231 . 2 1 1 A 104 104 THR H H 103 8.070 7.676 0.394 1
1 1232 . 2 1 1 A 104 104 THR HA H 103 4.350 4.139 0.211 1
1 1237 . 2 1 1 A 104 104 THR C C 103 174.700 173.005 1.695 1
1 1238 . 2 1 1 A 104 104 THR CA C 103 62.500 62.408 0.092 1
1 1239 . 2 1 1 A 104 104 THR CB C 103 69.800 66.742 3.058 1
1 1241 . 2 1 1 A 104 104 THR N N 103 113.900 111.990 1.910 1
1 1242 . 2 1 1 A 105 105 GLU H H 104 8.290 7.988 0.302 1
1 1243 . 2 1 1 A 105 105 GLU HA H 104 4.350 4.636 -0.286 1
1 1248 . 2 1 1 A 105 105 GLU C C 104 176.300 175.515 0.785 1
1 1249 . 2 1 1 A 105 105 GLU CA C 104 56.700 55.673 1.027 1
1 1250 . 2 1 1 A 105 105 GLU CB C 104 29.900 30.570 -0.670 1
1 1252 . 2 1 1 A 105 105 GLU N N 104 122.900 121.286 1.614 1
1 1253 . 2 1 1 A 106 106 LYS H H 105 8.320 8.480 -0.160 1
1 1254 . 2 1 1 A 106 106 LYS HA H 105 4.390 4.861 -0.471 1
1 1263 . 2 1 1 A 106 106 LYS C C 105 176.800 174.292 2.508 1
1 1264 . 2 1 1 A 106 106 LYS CA C 105 56.700 55.477 1.223 1
1 1265 . 2 1 1 A 106 106 LYS CB C 105 32.800 36.692 -3.892 1
1 1269 . 2 1 1 A 106 106 LYS N N 105 121.900 126.787 -4.887 1
1 1270 . 2 1 1 A 107 107 THR H H 106 8.150 8.731 -0.581 1
1 1271 . 2 1 1 A 107 107 THR HA H 106 4.430 4.510 -0.080 1
1 1276 . 2 1 1 A 107 107 THR C C 106 174.600 173.933 0.667 1
1 1277 . 2 1 1 A 107 107 THR CA C 106 62.000 62.391 -0.391 1
1 1278 . 2 1 1 A 107 107 THR CB C 106 70.000 67.308 2.692 1
1 1280 . 2 1 1 A 107 107 THR N N 106 115.000 118.941 -3.941 1
1 1281 . 2 1 1 A 108 108 THR H H 107 8.190 8.279 -0.089 1
1 1282 . 2 1 1 A 108 108 THR HA H 107 4.440 4.765 -0.325 1
1 1287 . 2 1 1 A 108 108 THR C C 107 174.500 173.215 1.285 1
1 1288 . 2 1 1 A 108 108 THR CA C 107 62.000 61.406 0.594 1
1 1289 . 2 1 1 A 108 108 THR CB C 107 69.800 71.755 -1.955 1
1 1291 . 2 1 1 A 108 108 THR N N 107 116.500 119.917 -3.417 1
1 1292 . 2 1 1 A 109 109 THR H H 108 8.170 8.504 -0.334 1
1 1293 . 2 1 1 A 109 109 THR HA H 108 4.350 4.827 -0.477 1
1 1298 . 2 1 1 A 109 109 THR C C 108 174.200 172.922 1.278 1
1 1299 . 2 1 1 A 109 109 THR CA C 108 62.000 60.422 1.578 1
1 1300 . 2 1 1 A 109 109 THR CB C 108 69.800 69.715 0.085 1
1 1302 . 2 1 1 A 109 109 THR N N 108 117.200 117.777 -0.577 1
1 1303 . 2 1 1 A 110 110 VAL H H 109 8.100 8.379 -0.279 1
1 1304 . 2 1 1 A 110 110 VAL HA H 109 4.040 4.074 -0.034 1
1 1312 . 2 1 1 A 110 110 VAL C C 109 175.200 175.635 -0.435 1
1 1313 . 2 1 1 A 110 110 VAL CA C 109 62.300 63.581 -1.281 1
1 1314 . 2 1 1 A 110 110 VAL CB C 109 32.600 32.973 -0.373 1
1 1316 . 2 1 1 A 110 110 VAL N N 109 123.100 122.905 0.195 1
1 1317 . 2 1 1 A 111 111 LYS H H 110 8.200 7.420 0.780 1
1 1318 . 2 1 1 A 111 111 LYS HA H 110 4.310 4.598 -0.288 1
1 1327 . 2 1 1 A 111 111 LYS C C 110 175.700 175.838 -0.138 1
1 1328 . 2 1 1 A 111 111 LYS CA C 110 55.700 54.552 1.148 1
1 1329 . 2 1 1 A 111 111 LYS CB C 110 33.300 35.368 -2.068 1
1 1333 . 2 1 1 A 111 111 LYS N N 110 125.200 118.942 6.258 1
1 1334 . 2 1 1 A 112 112 PHE H H 111 8.310 8.889 -0.579 1
1 1335 . 2 1 1 A 112 112 PHE HA H 111 4.650 4.476 0.174 1
1 1338 . 2 1 1 A 112 112 PHE C C 111 174.500 176.584 -2.084 1
1 1339 . 2 1 1 A 112 112 PHE CA C 111 57.500 59.977 -2.477 1
1 1340 . 2 1 1 A 112 112 PHE CB C 111 39.700 39.940 -0.240 1
1 1341 . 2 1 1 A 112 112 PHE N N 111 122.100 121.705 0.395 1
1 1 . 3 1 1 A 2 2 SER H H 1 8.780 8.040 0.740 1
1 2 . 3 1 1 A 2 2 SER HA H 1 4.480 4.866 -0.386 1
1 5 . 3 1 1 A 2 2 SER C C 1 175.000 174.526 0.474 1
1 6 . 3 1 1 A 2 2 SER CA C 1 59.100 57.513 1.587 1
1 7 . 3 1 1 A 2 2 SER CB C 1 63.900 65.375 -1.475 1
1 8 . 3 1 1 A 2 2 SER N N 1 116.600 117.430 -0.830 1
1 9 . 3 1 1 A 3 3 ALA H H 2 8.710 9.109 -0.399 1
1 10 . 3 1 1 A 3 3 ALA HA H 2 4.310 3.946 0.364 1
1 14 . 3 1 1 A 3 3 ALA C C 2 178.800 179.270 -0.470 1
1 15 . 3 1 1 A 3 3 ALA CA C 2 53.800 55.413 -1.613 1
1 16 . 3 1 1 A 3 3 ALA CB C 2 18.500 18.285 0.215 1
1 17 . 3 1 1 A 3 3 ALA N N 2 125.500 129.627 -4.127 1
1 18 . 3 1 1 A 4 4 ASP H H 3 8.190 8.252 -0.062 1
1 19 . 3 1 1 A 4 4 ASP HA H 3 4.500 4.365 0.135 1
1 22 . 3 1 1 A 4 4 ASP C C 3 177.700 178.435 -0.735 1
1 23 . 3 1 1 A 4 4 ASP CA C 3 55.900 57.429 -1.529 1
1 24 . 3 1 1 A 4 4 ASP CB C 3 40.500 41.385 -0.885 1
1 25 . 3 1 1 A 4 4 ASP N N 3 117.800 118.184 -0.384 1
1 26 . 3 1 1 A 5 5 GLU H H 4 8.150 7.761 0.389 1
1 27 . 3 1 1 A 5 5 GLU HA H 4 4.140 4.008 0.132 1
1 32 . 3 1 1 A 5 5 GLU C C 4 178.600 178.935 -0.335 1
1 33 . 3 1 1 A 5 5 GLU CA C 4 58.600 59.278 -0.678 1
1 34 . 3 1 1 A 5 5 GLU CB C 4 29.100 29.692 -0.592 1
1 36 . 3 1 1 A 5 5 GLU N N 4 120.800 119.386 1.414 1
1 37 . 3 1 1 A 6 6 GLU H H 5 8.250 8.506 -0.256 1
1 38 . 3 1 1 A 6 6 GLU HA H 5 4.200 4.094 0.106 1
1 43 . 3 1 1 A 6 6 GLU C C 5 178.300 179.027 -0.727 1
1 44 . 3 1 1 A 6 6 GLU CA C 5 58.600 59.094 -0.494 1
1 45 . 3 1 1 A 6 6 GLU CB C 5 28.800 28.218 0.582 1
1 47 . 3 1 1 A 6 6 GLU N N 5 120.800 118.012 2.788 1
1 48 . 3 1 1 A 7 7 LEU H H 6 7.990 8.003 -0.013 1
1 49 . 3 1 1 A 7 7 LEU HA H 6 4.170 4.012 0.158 1
1 58 . 3 1 1 A 7 7 LEU C C 6 179.500 178.528 0.972 1
1 59 . 3 1 1 A 7 7 LEU CA C 6 57.500 58.088 -0.588 1
1 60 . 3 1 1 A 7 7 LEU CB C 6 41.600 41.545 0.055 1
1 64 . 3 1 1 A 7 7 LEU N N 6 120.900 123.500 -2.600 1
1 65 . 3 1 1 A 8 8 GLU H H 7 8.130 7.733 0.397 1
1 66 . 3 1 1 A 8 8 GLU HA H 7 4.160 3.981 0.179 1
1 71 . 3 1 1 A 8 8 GLU C C 7 178.300 179.264 -0.964 1
1 72 . 3 1 1 A 8 8 GLU CA C 7 58.800 59.150 -0.350 1
1 73 . 3 1 1 A 8 8 GLU CB C 7 28.800 29.252 -0.452 1
1 75 . 3 1 1 A 8 8 GLU N N 7 120.100 118.225 1.875 1
1 76 . 3 1 1 A 9 9 ALA H H 8 8.030 8.459 -0.429 1
1 77 . 3 1 1 A 9 9 ALA HA H 8 4.090 4.095 -0.005 1
1 81 . 3 1 1 A 9 9 ALA C C 8 180.500 179.843 0.657 1
1 82 . 3 1 1 A 9 9 ALA CA C 8 55.100 55.093 0.007 1
1 83 . 3 1 1 A 9 9 ALA CB C 8 17.900 18.476 -0.576 1
1 84 . 3 1 1 A 9 9 ALA N N 8 122.100 122.517 -0.417 1
1 85 . 3 1 1 A 10 10 LEU H H 9 7.890 8.358 -0.468 1
1 86 . 3 1 1 A 10 10 LEU HA H 9 4.160 4.102 0.058 1
1 95 . 3 1 1 A 10 10 LEU C C 9 179.200 178.444 0.756 1
1 96 . 3 1 1 A 10 10 LEU CA C 9 57.500 57.546 -0.046 1
1 97 . 3 1 1 A 10 10 LEU CB C 9 41.800 41.677 0.123 1
1 101 . 3 1 1 A 10 10 LEU N N 9 119.500 119.377 0.123 1
1 102 . 3 1 1 A 11 11 ARG H H 10 8.080 7.691 0.389 1
1 103 . 3 1 1 A 11 11 ARG HA H 10 4.010 3.823 0.187 1
1 110 . 3 1 1 A 11 11 ARG C C 10 178.900 178.380 0.520 1
1 111 . 3 1 1 A 11 11 ARG CA C 10 59.400 59.690 -0.290 1
1 112 . 3 1 1 A 11 11 ARG CB C 10 30.100 29.493 0.607 1
1 115 . 3 1 1 A 11 11 ARG N N 10 120.400 119.097 1.303 1
1 116 . 3 1 1 A 12 12 ARG H H 11 8.170 8.289 -0.119 1
1 117 . 3 1 1 A 12 12 ARG HA H 11 4.040 3.895 0.145 1
1 124 . 3 1 1 A 12 12 ARG C C 11 178.900 178.614 0.286 1
1 125 . 3 1 1 A 12 12 ARG CA C 11 59.300 59.514 -0.214 1
1 126 . 3 1 1 A 12 12 ARG CB C 11 30.000 29.673 0.327 1
1 129 . 3 1 1 A 12 12 ARG N N 11 118.400 119.677 -1.277 1
1 130 . 3 1 1 A 13 13 GLN H H 12 8.060 7.848 0.212 1
1 131 . 3 1 1 A 13 13 GLN HA H 12 4.150 3.995 0.155 1
1 136 . 3 1 1 A 13 13 GLN C C 12 177.900 178.430 -0.530 1
1 137 . 3 1 1 A 13 13 GLN CA C 12 58.600 59.179 -0.579 1
1 138 . 3 1 1 A 13 13 GLN CB C 12 28.500 28.294 0.206 1
1 140 . 3 1 1 A 13 13 GLN N N 12 120.400 118.552 1.848 1
1 141 . 3 1 1 A 14 14 ARG H H 13 8.180 8.109 0.071 1
1 142 . 3 1 1 A 14 14 ARG HA H 13 4.160 4.062 0.098 1
1 149 . 3 1 1 A 14 14 ARG C C 13 178.600 178.883 -0.283 1
1 150 . 3 1 1 A 14 14 ARG CA C 13 58.600 58.773 -0.173 1
1 151 . 3 1 1 A 14 14 ARG CB C 13 29.900 30.073 -0.173 1
1 154 . 3 1 1 A 14 14 ARG N N 13 119.900 119.795 0.105 1
1 155 . 3 1 1 A 15 15 LEU H H 14 7.980 8.440 -0.460 1
1 156 . 3 1 1 A 15 15 LEU HA H 14 4.180 3.996 0.184 1
1 165 . 3 1 1 A 15 15 LEU C C 14 178.800 179.053 -0.253 1
1 166 . 3 1 1 A 15 15 LEU CA C 14 57.300 57.726 -0.426 1
1 167 . 3 1 1 A 15 15 LEU CB C 14 41.700 41.648 0.052 1
1 171 . 3 1 1 A 15 15 LEU N N 14 119.900 120.718 -0.818 1
1 172 . 3 1 1 A 16 16 ALA H H 15 7.930 8.460 -0.530 1
1 173 . 3 1 1 A 16 16 ALA HA H 15 4.190 3.976 0.214 1
1 177 . 3 1 1 A 16 16 ALA C C 15 180.100 179.935 0.165 1
1 178 . 3 1 1 A 16 16 ALA CA C 15 54.500 55.239 -0.739 1
1 179 . 3 1 1 A 16 16 ALA CB C 15 18.000 17.744 0.256 1
1 180 . 3 1 1 A 16 16 ALA N N 15 122.000 122.318 -0.318 1
1 181 . 3 1 1 A 17 17 GLU H H 16 8.010 8.453 -0.443 1
1 182 . 3 1 1 A 17 17 GLU HA H 16 4.160 4.029 0.131 1
1 187 . 3 1 1 A 17 17 GLU C C 16 178.100 179.125 -1.025 1
1 188 . 3 1 1 A 17 17 GLU CA C 16 58.100 59.328 -1.228 1
1 189 . 3 1 1 A 17 17 GLU CB C 16 28.900 29.303 -0.403 1
1 191 . 3 1 1 A 17 17 GLU N N 16 118.500 118.236 0.264 1
1 192 . 3 1 1 A 18 18 LEU H H 17 7.890 7.604 0.286 1
1 193 . 3 1 1 A 18 18 LEU HA H 17 4.200 3.980 0.220 1
1 203 . 3 1 1 A 18 18 LEU C C 17 178.700 177.815 0.885 1
1 204 . 3 1 1 A 18 18 LEU CA C 17 56.900 58.008 -1.108 1
1 205 . 3 1 1 A 18 18 LEU CB C 17 42.100 42.217 -0.117 1
1 209 . 3 1 1 A 18 18 LEU N N 17 120.400 121.628 -1.228 1
1 210 . 3 1 1 A 19 19 GLN H H 18 8.020 7.714 0.306 1
1 211 . 3 1 1 A 19 19 GLN HA H 18 4.200 4.447 -0.247 1
1 216 . 3 1 1 A 19 19 GLN C C 18 176.700 175.204 1.496 1
1 217 . 3 1 1 A 19 19 GLN CA C 18 56.900 55.488 1.412 1
1 218 . 3 1 1 A 19 19 GLN CB C 18 28.800 31.213 -2.413 1
1 220 . 3 1 1 A 19 19 GLN N N 18 118.500 114.825 3.675 1
1 221 . 3 1 1 A 20 20 ALA H H 19 7.850 8.262 -0.412 1
1 222 . 3 1 1 A 20 20 ALA HA H 19 4.240 4.152 0.088 1
1 226 . 3 1 1 A 20 20 ALA C C 19 178.000 176.781 1.219 1
1 227 . 3 1 1 A 20 20 ALA CA C 19 53.100 52.941 0.159 1
1 228 . 3 1 1 A 20 20 ALA CB C 19 18.700 18.199 0.501 1
1 229 . 3 1 1 A 20 20 ALA N N 19 122.700 122.301 0.399 1
1 230 . 3 1 1 A 21 21 LYS H H 20 7.950 7.972 -0.022 1
1 231 . 3 1 1 A 21 21 LYS HA H 20 4.260 5.125 -0.865 1
1 238 . 3 1 1 A 21 21 LYS C C 20 176.600 175.210 1.390 1
1 239 . 3 1 1 A 21 21 LYS CA C 20 56.500 55.099 1.401 1
1 240 . 3 1 1 A 21 21 LYS CB C 20 32.600 36.415 -3.815 1
1 244 . 3 1 1 A 21 21 LYS N N 20 118.800 119.434 -0.634 1
1 245 . 3 1 1 A 22 22 HIS H H 21 8.320 8.792 -0.472 1
1 246 . 3 1 1 A 22 22 HIS HA H 21 4.730 4.798 -0.068 1
1 249 . 3 1 1 A 22 22 HIS C C 21 174.800 175.523 -0.723 1
1 250 . 3 1 1 A 22 22 HIS CA C 21 55.400 55.038 0.362 1
1 251 . 3 1 1 A 22 22 HIS CB C 21 28.800 31.266 -2.466 1
1 252 . 3 1 1 A 22 22 HIS N N 21 118.600 121.553 -2.953 1
1 253 . 3 1 1 A 23 23 GLY H H 22 8.360 8.163 0.197 1
1 254 . 3 1 1 A 23 23 GLY HA2 H 22 3.960 3.759 0.201 1
1 255 . 3 1 1 A 23 23 GLY HA3 H 22 3.960 3.784 0.176 1
1 256 . 3 1 1 A 23 23 GLY C C 22 173.200 173.384 -0.184 1
1 257 . 3 1 1 A 23 23 GLY CA C 22 45.000 47.088 -2.088 1
1 258 . 3 1 1 A 23 23 GLY N N 22 109.600 107.812 1.788 1
1 259 . 3 1 1 A 24 24 ASP H H 23 8.320 8.084 0.236 1
1 260 . 3 1 1 A 24 24 ASP HA H 23 4.940 5.166 -0.226 1
1 263 . 3 1 1 A 24 24 ASP C C 23 174.900 175.080 -0.180 1
1 264 . 3 1 1 A 24 24 ASP CA C 23 52.200 51.533 0.667 1
1 265 . 3 1 1 A 24 24 ASP CB C 23 41.300 44.092 -2.792 1
1 266 . 3 1 1 A 24 24 ASP N N 23 121.600 117.734 3.866 1
1 267 . 3 1 1 A 25 25 PRO HA H 24 4.430 4.556 -0.126 1
1 274 . 3 1 1 A 25 25 PRO C C 24 177.800 178.084 -0.284 1
1 275 . 3 1 1 A 25 25 PRO CA C 24 64.100 63.690 0.410 1
1 276 . 3 1 1 A 25 25 PRO CB C 24 31.900 32.157 -0.257 1
1 279 . 3 1 1 A 26 26 GLY H H 25 8.520 8.117 0.403 1
1 280 . 3 1 1 A 26 26 GLY HA2 H 25 3.940 3.975 -0.035 1
1 281 . 3 1 1 A 26 26 GLY HA3 H 25 3.940 3.980 -0.040 1
1 282 . 3 1 1 A 26 26 GLY C C 25 174.400 174.662 -0.262 1
1 283 . 3 1 1 A 26 26 GLY CA C 25 45.500 45.647 -0.147 1
1 284 . 3 1 1 A 26 26 GLY N N 25 108.300 109.593 -1.293 1
1 285 . 3 1 1 A 27 27 ASP H H 26 8.100 8.720 -0.620 1
1 286 . 3 1 1 A 27 27 ASP HA H 26 4.610 4.608 0.002 1
1 289 . 3 1 1 A 27 27 ASP C C 26 176.900 178.065 -1.165 1
1 290 . 3 1 1 A 27 27 ASP CA C 26 54.800 56.481 -1.681 1
1 291 . 3 1 1 A 27 27 ASP CB C 26 40.800 39.936 0.864 1
1 292 . 3 1 1 A 27 27 ASP N N 26 120.700 121.005 -0.305 1
1 293 . 3 1 1 A 28 28 ALA H H 27 8.320 8.119 0.201 1
1 294 . 3 1 1 A 28 28 ALA HA H 27 4.180 4.146 0.034 1
1 298 . 3 1 1 A 28 28 ALA C C 27 179.300 179.567 -0.267 1
1 299 . 3 1 1 A 28 28 ALA CA C 27 54.600 54.729 -0.129 1
1 300 . 3 1 1 A 28 28 ALA CB C 27 18.400 18.358 0.042 1
1 301 . 3 1 1 A 28 28 ALA N N 27 124.100 121.592 2.508 1
1 302 . 3 1 1 A 29 29 ALA H H 28 8.250 8.077 0.173 1
1 303 . 3 1 1 A 29 29 ALA HA H 28 4.230 4.041 0.189 1
1 307 . 3 1 1 A 29 29 ALA C C 28 180.000 179.296 0.704 1
1 308 . 3 1 1 A 29 29 ALA CA C 28 54.300 55.347 -1.047 1
1 309 . 3 1 1 A 29 29 ALA CB C 28 18.200 17.971 0.229 1
1 310 . 3 1 1 A 29 29 ALA N N 28 121.200 119.946 1.254 1
1 311 . 3 1 1 A 30 30 GLN H H 29 8.120 7.936 0.184 1
1 312 . 3 1 1 A 30 30 GLN HA H 29 4.230 4.030 0.200 1
1 317 . 3 1 1 A 30 30 GLN C C 29 177.900 178.103 -0.203 1
1 318 . 3 1 1 A 30 30 GLN CA C 29 57.800 58.658 -0.858 1
1 319 . 3 1 1 A 30 30 GLN CB C 29 28.600 28.185 0.415 1
1 321 . 3 1 1 A 30 30 GLN N N 29 118.800 116.226 2.574 1
1 322 . 3 1 1 A 31 31 GLN H H 30 8.240 7.566 0.674 1
1 323 . 3 1 1 A 31 31 GLN HA H 30 4.120 4.117 0.003 1
1 328 . 3 1 1 A 31 31 GLN C C 30 178.100 179.268 -1.168 1
1 329 . 3 1 1 A 31 31 GLN CA C 30 58.000 58.945 -0.945 1
1 330 . 3 1 1 A 31 31 GLN CB C 30 28.500 28.275 0.225 1
1 332 . 3 1 1 A 31 31 GLN N N 30 119.600 119.280 0.320 1
1 333 . 3 1 1 A 32 32 GLU H H 31 8.300 8.081 0.219 1
1 334 . 3 1 1 A 32 32 GLU HA H 31 4.190 4.115 0.075 1
1 339 . 3 1 1 A 32 32 GLU C C 31 178.100 178.932 -0.832 1
1 340 . 3 1 1 A 32 32 GLU CA C 31 58.600 59.044 -0.444 1
1 341 . 3 1 1 A 32 32 GLU CB C 31 28.800 29.227 -0.427 1
1 343 . 3 1 1 A 32 32 GLU N N 31 120.800 119.943 0.857 1
1 344 . 3 1 1 A 33 33 ALA H H 32 8.070 8.326 -0.256 1
1 345 . 3 1 1 A 33 33 ALA HA H 32 4.160 4.089 0.071 1
1 349 . 3 1 1 A 33 33 ALA C C 32 179.900 179.727 0.173 1
1 350 . 3 1 1 A 33 33 ALA CA C 32 54.900 55.222 -0.322 1
1 351 . 3 1 1 A 33 33 ALA CB C 32 18.200 18.296 -0.096 1
1 352 . 3 1 1 A 33 33 ALA N N 32 123.000 122.402 0.598 1
1 353 . 3 1 1 A 34 34 LYS H H 33 8.050 8.007 0.043 1
1 354 . 3 1 1 A 34 34 LYS HA H 33 4.150 4.097 0.053 1
1 363 . 3 1 1 A 34 34 LYS C C 33 178.900 179.084 -0.184 1
1 364 . 3 1 1 A 34 34 LYS CA C 33 58.600 59.132 -0.532 1
1 365 . 3 1 1 A 34 34 LYS CB C 33 32.300 31.975 0.325 1
1 369 . 3 1 1 A 34 34 LYS N N 33 118.600 119.141 -0.541 1
1 370 . 3 1 1 A 35 35 HIS H H 34 8.240 8.324 -0.084 1
1 371 . 3 1 1 A 35 35 HIS HA H 34 4.580 4.208 0.372 1
1 374 . 3 1 1 A 35 35 HIS C C 34 176.300 177.630 -1.330 1
1 375 . 3 1 1 A 35 35 HIS CA C 34 57.800 59.945 -2.145 1
1 376 . 3 1 1 A 35 35 HIS CB C 34 28.300 29.814 -1.514 1
1 377 . 3 1 1 A 35 35 HIS N N 34 119.100 119.419 -0.319 1
1 378 . 3 1 1 A 36 36 ARG H H 35 8.390 8.015 0.375 1
1 379 . 3 1 1 A 36 36 ARG HA H 35 4.160 4.071 0.089 1
1 386 . 3 1 1 A 36 36 ARG C C 35 178.500 178.534 -0.034 1
1 387 . 3 1 1 A 36 36 ARG CA C 35 58.800 58.784 0.016 1
1 388 . 3 1 1 A 36 36 ARG CB C 35 29.200 29.814 -0.614 1
1 391 . 3 1 1 A 36 36 ARG N N 35 120.600 118.829 1.771 1
1 392 . 3 1 1 A 37 37 GLU H H 36 8.240 8.324 -0.084 1
1 393 . 3 1 1 A 37 37 GLU HA H 36 4.080 4.028 0.052 1
1 398 . 3 1 1 A 37 37 GLU C C 36 178.200 178.661 -0.461 1
1 399 . 3 1 1 A 37 37 GLU CA C 36 59.100 59.685 -0.585 1
1 400 . 3 1 1 A 37 37 GLU CB C 36 29.100 29.459 -0.359 1
1 402 . 3 1 1 A 37 37 GLU N N 36 120.400 119.437 0.963 1
1 403 . 3 1 1 A 38 38 ALA H H 37 7.980 7.636 0.344 1
1 404 . 3 1 1 A 38 38 ALA HA H 37 4.100 4.065 0.035 1
1 408 . 3 1 1 A 38 38 ALA C C 37 179.800 179.459 0.341 1
1 409 . 3 1 1 A 38 38 ALA CA C 37 55.100 55.205 -0.105 1
1 410 . 3 1 1 A 38 38 ALA CB C 37 18.000 18.356 -0.356 1
1 411 . 3 1 1 A 38 38 ALA N N 37 122.000 121.085 0.915 1
1 412 . 3 1 1 A 39 39 GLU H H 38 8.050 7.821 0.229 1
1 413 . 3 1 1 A 39 39 GLU HA H 38 4.120 3.975 0.145 1
1 418 . 3 1 1 A 39 39 GLU C C 38 179.000 179.825 -0.825 1
1 419 . 3 1 1 A 39 39 GLU CA C 38 58.800 59.644 -0.844 1
1 420 . 3 1 1 A 39 39 GLU CB C 38 29.100 29.210 -0.110 1
1 422 . 3 1 1 A 39 39 GLU N N 38 118.200 118.425 -0.225 1
1 423 . 3 1 1 A 40 40 MET H H 39 8.130 8.697 -0.567 1
1 424 . 3 1 1 A 40 40 MET HA H 39 4.200 4.049 0.151 1
1 429 . 3 1 1 A 40 40 MET C C 39 178.200 178.572 -0.372 1
1 430 . 3 1 1 A 40 40 MET CA C 39 58.100 59.833 -1.733 1
1 431 . 3 1 1 A 40 40 MET CB C 39 32.300 32.764 -0.464 1
1 433 . 3 1 1 A 40 40 MET N N 39 120.300 119.488 0.812 1
1 434 . 3 1 1 A 41 41 ARG HA H 40 3.890 4.089 -0.199 1
1 441 . 3 1 1 A 41 41 ARG C C 40 177.700 178.542 -0.842 1
1 442 . 3 1 1 A 41 41 ARG CA C 40 59.500 59.059 0.441 1
1 443 . 3 1 1 A 41 41 ARG CB C 40 30.300 29.807 0.493 1
1 444 . 3 1 1 A 42 42 ASN H H 41 8.190 8.451 -0.261 1
1 445 . 3 1 1 A 42 42 ASN HA H 41 4.440 4.473 -0.033 1
1 450 . 3 1 1 A 42 42 ASN C C 41 177.700 177.587 0.113 1
1 451 . 3 1 1 A 42 42 ASN CA C 41 55.900 56.625 -0.725 1
1 452 . 3 1 1 A 42 42 ASN CB C 41 38.100 39.024 -0.924 1
1 453 . 3 1 1 A 42 42 ASN N N 41 116.300 118.599 -2.299 1
1 455 . 3 1 1 A 43 43 SER H H 42 8.130 8.557 -0.427 1
1 456 . 3 1 1 A 43 43 SER HA H 42 4.300 4.146 0.154 1
1 459 . 3 1 1 A 43 43 SER C C 42 176.600 176.924 -0.324 1
1 460 . 3 1 1 A 43 43 SER CA C 42 61.200 62.801 -1.601 1
1 461 . 3 1 1 A 43 43 SER CB C 42 63.100 63.167 -0.067 1
1 462 . 3 1 1 A 43 43 SER N N 42 116.300 116.508 -0.208 1
1 463 . 3 1 1 A 44 44 ILE H H 43 7.940 7.595 0.345 1
1 464 . 3 1 1 A 44 44 ILE HA H 43 3.860 3.801 0.059 1
1 474 . 3 1 1 A 44 44 ILE C C 43 178.400 178.249 0.151 1
1 475 . 3 1 1 A 44 44 ILE CA C 43 64.500 64.565 -0.065 1
1 476 . 3 1 1 A 44 44 ILE CB C 43 37.900 37.455 0.445 1
1 480 . 3 1 1 A 44 44 ILE N N 43 122.500 118.957 3.543 1
1 481 . 3 1 1 A 45 45 LEU H H 44 8.070 7.803 0.267 1
1 482 . 3 1 1 A 45 45 LEU HA H 44 3.940 3.982 -0.042 1
1 492 . 3 1 1 A 45 45 LEU C C 44 178.200 179.347 -1.147 1
1 493 . 3 1 1 A 45 45 LEU CA C 44 58.100 57.927 0.173 1
1 494 . 3 1 1 A 45 45 LEU CB C 44 41.100 41.434 -0.334 1
1 498 . 3 1 1 A 45 45 LEU N N 44 119.100 122.117 -3.017 1
1 499 . 3 1 1 A 46 46 ALA H H 45 7.760 8.188 -0.428 1
1 500 . 3 1 1 A 46 46 ALA HA H 45 4.100 4.114 -0.014 1
1 504 . 3 1 1 A 46 46 ALA C C 45 178.700 178.465 0.235 1
1 505 . 3 1 1 A 46 46 ALA CA C 45 54.100 54.507 -0.407 1
1 506 . 3 1 1 A 46 46 ALA CB C 45 18.100 18.229 -0.129 1
1 507 . 3 1 1 A 46 46 ALA N N 45 117.600 121.297 -3.697 1
1 508 . 3 1 1 A 47 47 GLN H H 46 7.570 7.294 0.276 1
1 509 . 3 1 1 A 47 47 GLN HA H 46 4.270 4.396 -0.126 1
1 514 . 3 1 1 A 47 47 GLN C C 46 177.800 178.063 -0.263 1
1 515 . 3 1 1 A 47 47 GLN CA C 46 57.300 57.175 0.125 1
1 516 . 3 1 1 A 47 47 GLN CB C 46 29.500 29.622 -0.122 1
1 518 . 3 1 1 A 47 47 GLN N N 46 114.300 115.992 -1.692 1
1 519 . 3 1 1 A 48 48 VAL H H 47 7.690 7.540 0.150 1
1 520 . 3 1 1 A 48 48 VAL HA H 47 4.380 4.091 0.289 1
1 528 . 3 1 1 A 48 48 VAL C C 47 174.400 176.074 -1.674 1
1 529 . 3 1 1 A 48 48 VAL CA C 47 62.600 64.766 -2.166 1
1 530 . 3 1 1 A 48 48 VAL CB C 47 32.800 31.599 1.201 1
1 533 . 3 1 1 A 48 48 VAL N N 47 111.900 113.998 -2.098 1
1 534 . 3 1 1 A 49 49 LEU H H 48 7.480 7.550 -0.070 1
1 535 . 3 1 1 A 49 49 LEU HA H 48 4.910 4.725 0.185 1
1 545 . 3 1 1 A 49 49 LEU C C 48 177.000 176.029 0.971 1
1 546 . 3 1 1 A 49 49 LEU CA C 48 53.700 53.020 0.680 1
1 547 . 3 1 1 A 49 49 LEU CB C 48 44.500 43.247 1.253 1
1 551 . 3 1 1 A 49 49 LEU N N 48 119.600 121.558 -1.958 1
1 552 . 3 1 1 A 50 50 ASP H H 49 8.430 9.037 -0.607 1
1 553 . 3 1 1 A 50 50 ASP HA H 49 4.630 4.599 0.031 1
1 556 . 3 1 1 A 50 50 ASP C C 49 176.000 177.469 -1.469 1
1 557 . 3 1 1 A 50 50 ASP CA C 49 53.000 54.269 -1.269 1
1 558 . 3 1 1 A 50 50 ASP CB C 49 40.200 42.636 -2.436 1
1 559 . 3 1 1 A 50 50 ASP N N 49 121.200 125.430 -4.230 1
1 560 . 3 1 1 A 51 51 GLN H H 50 8.580 8.794 -0.214 1
1 561 . 3 1 1 A 51 51 GLN HA H 50 3.950 3.938 0.012 1
1 566 . 3 1 1 A 51 51 GLN C C 50 178.800 177.961 0.839 1
1 567 . 3 1 1 A 51 51 GLN CA C 50 60.200 59.518 0.682 1
1 568 . 3 1 1 A 51 51 GLN CB C 50 28.300 28.560 -0.260 1
1 570 . 3 1 1 A 51 51 GLN N N 50 118.200 124.263 -6.063 1
1 571 . 3 1 1 A 52 52 SER H H 51 8.430 8.036 0.394 1
1 572 . 3 1 1 A 52 52 SER HA H 51 4.320 4.207 0.113 1
1 575 . 3 1 1 A 52 52 SER C C 51 177.200 176.362 0.838 1
1 576 . 3 1 1 A 52 52 SER CA C 51 61.500 61.521 -0.021 1
1 577 . 3 1 1 A 52 52 SER CB C 51 62.400 63.221 -0.821 1
1 578 . 3 1 1 A 52 52 SER N N 51 117.000 116.143 0.857 1
1 579 . 3 1 1 A 53 53 ALA H H 52 8.760 8.033 0.727 1
1 580 . 3 1 1 A 53 53 ALA HA H 52 3.960 4.101 -0.141 1
1 584 . 3 1 1 A 53 53 ALA C C 52 178.900 179.240 -0.340 1
1 585 . 3 1 1 A 53 53 ALA CA C 52 55.400 54.842 0.558 1
1 586 . 3 1 1 A 53 53 ALA CB C 52 19.200 18.395 0.805 1
1 587 . 3 1 1 A 53 53 ALA N N 52 127.400 123.193 4.207 1
1 588 . 3 1 1 A 54 54 ARG H H 53 8.640 8.520 0.120 1
1 589 . 3 1 1 A 54 54 ARG HA H 53 3.880 3.930 -0.050 1
1 596 . 3 1 1 A 54 54 ARG C C 53 179.000 178.483 0.517 1
1 597 . 3 1 1 A 54 54 ARG CA C 53 59.700 59.670 0.030 1
1 598 . 3 1 1 A 54 54 ARG CB C 53 29.900 30.216 -0.316 1
1 601 . 3 1 1 A 54 54 ARG N N 53 118.200 118.049 0.151 1
1 602 . 3 1 1 A 55 55 ALA H H 54 7.960 7.961 -0.001 1
1 603 . 3 1 1 A 55 55 ALA HA H 54 4.190 4.043 0.147 1
1 607 . 3 1 1 A 55 55 ALA C C 54 180.100 179.345 0.755 1
1 608 . 3 1 1 A 55 55 ALA CA C 54 55.100 55.230 -0.130 1
1 609 . 3 1 1 A 55 55 ALA CB C 54 17.700 18.323 -0.623 1
1 610 . 3 1 1 A 55 55 ALA N N 54 122.200 122.003 0.197 1
1 611 . 3 1 1 A 56 56 ARG H H 55 7.800 7.928 -0.128 1
1 612 . 3 1 1 A 56 56 ARG HA H 55 4.160 4.052 0.108 1
1 619 . 3 1 1 A 56 56 ARG C C 55 178.900 178.165 0.735 1
1 620 . 3 1 1 A 56 56 ARG CA C 55 58.300 59.154 -0.854 1
1 621 . 3 1 1 A 56 56 ARG CB C 55 29.100 29.826 -0.726 1
1 624 . 3 1 1 A 56 56 ARG N N 55 119.100 118.668 0.432 1
1 625 . 3 1 1 A 57 57 LEU H H 56 8.390 8.446 -0.056 1
1 626 . 3 1 1 A 57 57 LEU HA H 56 4.060 4.082 -0.022 1
1 635 . 3 1 1 A 57 57 LEU C C 56 178.100 178.839 -0.739 1
1 636 . 3 1 1 A 57 57 LEU CA C 56 57.800 57.993 -0.193 1
1 637 . 3 1 1 A 57 57 LEU CB C 56 41.600 41.349 0.251 1
1 641 . 3 1 1 A 57 57 LEU N N 56 120.600 121.102 -0.502 1
1 642 . 3 1 1 A 58 58 SER H H 57 8.150 7.805 0.345 1
1 643 . 3 1 1 A 58 58 SER HA H 57 4.210 4.074 0.136 1
1 646 . 3 1 1 A 58 58 SER C C 57 176.500 176.172 0.328 1
1 647 . 3 1 1 A 58 58 SER CA C 57 61.800 62.180 -0.380 1
1 648 . 3 1 1 A 58 58 SER CB C 57 62.600 62.797 -0.197 1
1 649 . 3 1 1 A 58 58 SER N N 57 114.100 116.575 -2.475 1
1 650 . 3 1 1 A 59 59 ASN H H 58 7.700 8.213 -0.513 1
1 651 . 3 1 1 A 59 59 ASN HA H 58 4.580 4.450 0.130 1
1 656 . 3 1 1 A 59 59 ASN C C 58 178.000 177.407 0.593 1
1 657 . 3 1 1 A 59 59 ASN CA C 58 56.200 56.564 -0.364 1
1 658 . 3 1 1 A 59 59 ASN CB C 58 38.700 39.568 -0.868 1
1 659 . 3 1 1 A 59 59 ASN N N 58 119.500 120.443 -0.943 1
1 661 . 3 1 1 A 60 60 LEU H H 59 8.250 7.990 0.260 1
1 662 . 3 1 1 A 60 60 LEU HA H 59 4.070 4.068 0.002 1
1 671 . 3 1 1 A 60 60 LEU C C 59 178.400 178.432 -0.032 1
1 672 . 3 1 1 A 60 60 LEU CA C 59 57.500 57.723 -0.223 1
1 673 . 3 1 1 A 60 60 LEU CB C 59 42.100 41.467 0.633 1
1 677 . 3 1 1 A 60 60 LEU N N 59 123.000 120.579 2.421 1
1 678 . 3 1 1 A 61 61 ALA H H 60 8.070 8.187 -0.117 1
1 679 . 3 1 1 A 61 61 ALA HA H 60 3.910 4.349 -0.439 1
1 683 . 3 1 1 A 61 61 ALA C C 60 178.400 179.996 -1.596 1
1 684 . 3 1 1 A 61 61 ALA CA C 60 54.600 54.923 -0.323 1
1 685 . 3 1 1 A 61 61 ALA CB C 60 18.200 18.319 -0.119 1
1 686 . 3 1 1 A 61 61 ALA N N 60 120.700 120.321 0.379 1
1 687 . 3 1 1 A 62 62 LEU H H 61 7.170 7.842 -0.672 1
1 688 . 3 1 1 A 62 62 LEU HA H 61 4.200 4.028 0.172 1
1 695 . 3 1 1 A 62 62 LEU C C 61 178.300 178.420 -0.120 1
1 696 . 3 1 1 A 62 62 LEU CA C 61 56.500 57.611 -1.111 1
1 697 . 3 1 1 A 62 62 LEU CB C 61 42.100 41.719 0.381 1
1 701 . 3 1 1 A 62 62 LEU N N 61 113.700 119.743 -6.043 1
1 702 . 3 1 1 A 63 63 VAL H H 62 7.330 7.213 0.117 1
1 703 . 3 1 1 A 63 63 VAL HA H 62 4.380 4.181 0.199 1
1 711 . 3 1 1 A 63 63 VAL C C 62 176.200 176.150 0.050 1
1 712 . 3 1 1 A 63 63 VAL CA C 62 62.800 63.265 -0.465 1
1 713 . 3 1 1 A 63 63 VAL CB C 62 33.900 32.676 1.224 1
1 716 . 3 1 1 A 63 63 VAL N N 62 112.500 111.166 1.334 1
1 717 . 3 1 1 A 64 64 LYS H H 63 8.710 7.897 0.813 1
1 718 . 3 1 1 A 64 64 LYS HA H 63 5.000 4.750 0.250 1
1 727 . 3 1 1 A 64 64 LYS C C 63 174.200 175.310 -1.110 1
1 728 . 3 1 1 A 64 64 LYS CA C 63 53.600 53.688 -0.088 1
1 729 . 3 1 1 A 64 64 LYS CB C 63 33.400 33.711 -0.311 1
1 733 . 3 1 1 A 64 64 LYS N N 63 120.400 119.443 0.957 1
1 734 . 3 1 1 A 65 65 PRO HA H 64 4.360 4.902 -0.542 1
1 741 . 3 1 1 A 65 65 PRO C C 64 179.400 177.498 1.902 1
1 742 . 3 1 1 A 65 65 PRO CA C 64 66.000 64.296 1.704 1
1 743 . 3 1 1 A 65 65 PRO CB C 64 31.400 31.857 -0.457 1
1 746 . 3 1 1 A 66 66 GLU H H 65 8.920 8.317 0.603 1
1 747 . 3 1 1 A 66 66 GLU HA H 65 4.200 4.107 0.093 1
1 752 . 3 1 1 A 66 66 GLU C C 65 179.600 179.157 0.443 1
1 753 . 3 1 1 A 66 66 GLU CA C 65 59.400 59.560 -0.160 1
1 754 . 3 1 1 A 66 66 GLU CB C 65 28.300 29.370 -1.070 1
1 756 . 3 1 1 A 66 66 GLU N N 65 118.700 118.634 0.066 1
1 757 . 3 1 1 A 67 67 LYS H H 66 8.000 7.607 0.393 1
1 758 . 3 1 1 A 67 67 LYS HA H 66 4.160 4.167 -0.007 1
1 767 . 3 1 1 A 67 67 LYS C C 66 178.400 179.140 -0.740 1
1 768 . 3 1 1 A 67 67 LYS CA C 66 58.500 58.770 -0.270 1
1 769 . 3 1 1 A 67 67 LYS CB C 66 32.300 32.055 0.245 1
1 773 . 3 1 1 A 67 67 LYS N N 66 121.300 119.122 2.178 1
1 774 . 3 1 1 A 68 68 THR H H 67 7.960 7.973 -0.013 1
1 775 . 3 1 1 A 68 68 THR HA H 67 4.130 3.844 0.286 1
1 780 . 3 1 1 A 68 68 THR C C 67 176.200 176.727 -0.527 1
1 781 . 3 1 1 A 68 68 THR CA C 67 67.800 67.314 0.486 1
1 782 . 3 1 1 A 68 68 THR CB C 67 67.800 68.533 -0.733 1
1 784 . 3 1 1 A 68 68 THR N N 67 114.200 116.975 -2.775 1
1 785 . 3 1 1 A 69 69 LYS H H 68 7.770 8.526 -0.756 1
1 786 . 3 1 1 A 69 69 LYS HA H 68 3.990 4.042 -0.052 1
1 795 . 3 1 1 A 69 69 LYS C C 68 178.100 178.678 -0.578 1
1 796 . 3 1 1 A 69 69 LYS CA C 68 59.400 58.874 0.526 1
1 797 . 3 1 1 A 69 69 LYS CB C 68 31.700 31.958 -0.258 1
1 801 . 3 1 1 A 69 69 LYS N N 68 122.000 120.018 1.982 1
1 802 . 3 1 1 A 70 70 ALA H H 69 7.480 7.508 -0.028 1
1 803 . 3 1 1 A 70 70 ALA HA H 69 4.240 4.035 0.205 1
1 807 . 3 1 1 A 70 70 ALA C C 69 181.200 179.729 1.471 1
1 808 . 3 1 1 A 70 70 ALA CA C 69 55.200 55.080 0.120 1
1 809 . 3 1 1 A 70 70 ALA CB C 69 17.900 18.509 -0.609 1
1 810 . 3 1 1 A 70 70 ALA N N 69 120.300 122.228 -1.928 1
1 811 . 3 1 1 A 71 71 VAL H H 70 8.160 8.068 0.092 1
1 812 . 3 1 1 A 71 71 VAL HA H 70 3.620 3.854 -0.234 1
1 820 . 3 1 1 A 71 71 VAL C C 70 177.400 178.110 -0.710 1
1 821 . 3 1 1 A 71 71 VAL CA C 70 66.600 65.257 1.343 1
1 822 . 3 1 1 A 71 71 VAL CB C 70 31.500 31.581 -0.081 1
1 825 . 3 1 1 A 71 71 VAL N N 70 120.300 116.177 4.123 1
1 826 . 3 1 1 A 72 72 GLU H H 71 8.690 8.613 0.077 1
1 827 . 3 1 1 A 72 72 GLU HA H 71 3.800 4.018 -0.218 1
1 832 . 3 1 1 A 72 72 GLU C C 71 178.000 179.003 -1.003 1
1 833 . 3 1 1 A 72 72 GLU CA C 71 60.400 59.634 0.766 1
1 834 . 3 1 1 A 72 72 GLU CB C 71 29.200 29.295 -0.095 1
1 836 . 3 1 1 A 72 72 GLU N N 71 119.300 122.145 -2.845 1
1 837 . 3 1 1 A 73 73 ASN H H 72 8.460 8.381 0.079 1
1 838 . 3 1 1 A 73 73 ASN HA H 72 4.440 4.444 -0.004 1
1 843 . 3 1 1 A 73 73 ASN C C 72 177.600 176.947 0.653 1
1 844 . 3 1 1 A 73 73 ASN CA C 72 56.200 56.273 -0.073 1
1 845 . 3 1 1 A 73 73 ASN CB C 72 37.600 39.244 -1.644 1
1 846 . 3 1 1 A 73 73 ASN N N 72 115.900 118.771 -2.871 1
1 848 . 3 1 1 A 74 74 TYR H H 73 7.940 8.144 -0.204 1
1 849 . 3 1 1 A 74 74 TYR HA H 73 4.200 4.181 0.019 1
1 856 . 3 1 1 A 74 74 TYR C C 73 177.600 177.219 0.381 1
1 857 . 3 1 1 A 74 74 TYR CA C 73 61.500 61.506 -0.006 1
1 858 . 3 1 1 A 74 74 TYR CB C 73 38.400 38.420 -0.020 1
1 863 . 3 1 1 A 74 74 TYR N N 73 122.400 119.868 2.532 1
1 864 . 3 1 1 A 75 75 LEU H H 74 8.410 8.596 -0.186 1
1 865 . 3 1 1 A 75 75 LEU HA H 74 3.930 3.703 0.227 1
1 875 . 3 1 1 A 75 75 LEU C C 74 178.500 179.065 -0.565 1
1 876 . 3 1 1 A 75 75 LEU CA C 74 58.100 57.998 0.102 1
1 877 . 3 1 1 A 75 75 LEU CB C 74 42.600 41.717 0.883 1
1 881 . 3 1 1 A 75 75 LEU N N 74 119.500 119.804 -0.304 1
1 882 . 3 1 1 A 76 76 ILE H H 75 8.400 8.392 0.008 1
1 883 . 3 1 1 A 76 76 ILE HA H 75 3.570 3.502 0.068 1
1 890 . 3 1 1 A 76 76 ILE C C 75 178.100 178.274 -0.174 1
1 891 . 3 1 1 A 76 76 ILE CA C 75 65.200 65.813 -0.613 1
1 892 . 3 1 1 A 76 76 ILE CB C 75 37.800 37.885 -0.085 1
1 896 . 3 1 1 A 76 76 ILE N N 75 118.600 120.083 -1.483 1
1 897 . 3 1 1 A 77 77 GLN H H 76 7.830 7.810 0.020 1
1 898 . 3 1 1 A 77 77 GLN HA H 76 3.920 4.149 -0.229 1
1 903 . 3 1 1 A 77 77 GLN C C 76 178.100 178.614 -0.514 1
1 904 . 3 1 1 A 77 77 GLN CA C 76 59.100 58.768 0.332 1
1 905 . 3 1 1 A 77 77 GLN CB C 76 28.000 28.861 -0.861 1
1 907 . 3 1 1 A 77 77 GLN N N 76 119.300 119.129 0.171 1
1 908 . 3 1 1 A 78 78 MET H H 77 8.060 8.496 -0.436 1
1 909 . 3 1 1 A 78 78 MET HA H 77 4.040 3.981 0.059 1
1 912 . 3 1 1 A 78 78 MET C C 77 178.700 177.815 0.885 1
1 913 . 3 1 1 A 78 78 MET CA C 77 58.600 58.499 0.101 1
1 914 . 3 1 1 A 78 78 MET CB C 77 33.000 31.946 1.054 1
1 916 . 3 1 1 A 78 78 MET N N 77 117.600 119.302 -1.702 1
1 917 . 3 1 1 A 79 79 ALA H H 78 8.210 8.204 0.006 1
1 918 . 3 1 1 A 79 79 ALA HA H 78 4.190 3.917 0.273 1
1 922 . 3 1 1 A 79 79 ALA C C 78 180.600 179.493 1.107 1
1 923 . 3 1 1 A 79 79 ALA CA C 78 54.100 55.417 -1.317 1
1 924 . 3 1 1 A 79 79 ALA CB C 78 18.400 17.805 0.595 1
1 925 . 3 1 1 A 79 79 ALA N N 78 121.400 121.520 -0.120 1
1 926 . 3 1 1 A 80 80 ARG H H 79 8.120 7.450 0.670 1
1 927 . 3 1 1 A 80 80 ARG HA H 79 3.960 4.069 -0.109 1
1 934 . 3 1 1 A 80 80 ARG C C 79 177.900 177.101 0.799 1
1 935 . 3 1 1 A 80 80 ARG CA C 79 58.800 57.783 1.017 1
1 936 . 3 1 1 A 80 80 ARG CB C 79 29.900 29.961 -0.061 1
1 939 . 3 1 1 A 80 80 ARG N N 79 119.100 118.336 0.764 1
1 940 . 3 1 1 A 81 81 TYR H H 80 7.800 7.214 0.586 1
1 941 . 3 1 1 A 81 81 TYR HA H 80 4.710 4.601 0.109 1
1 948 . 3 1 1 A 81 81 TYR C C 80 176.500 175.674 0.826 1
1 949 . 3 1 1 A 81 81 TYR CA C 80 57.500 57.816 -0.316 1
1 950 . 3 1 1 A 81 81 TYR CB C 80 38.100 38.555 -0.455 1
1 955 . 3 1 1 A 81 81 TYR N N 80 115.900 116.677 -0.777 1
1 956 . 3 1 1 A 82 82 GLY H H 81 7.850 7.964 -0.114 1
1 957 . 3 1 1 A 82 82 GLY HA2 H 81 4.030 3.926 0.104 1
1 958 . 3 1 1 A 82 82 GLY HA3 H 81 4.030 3.936 0.094 1
1 959 . 3 1 1 A 82 82 GLY C C 81 174.900 175.257 -0.357 1
1 960 . 3 1 1 A 82 82 GLY CA C 81 46.300 45.754 0.546 1
1 961 . 3 1 1 A 82 82 GLY N N 81 108.500 108.113 0.387 1
1 962 . 3 1 1 A 83 83 GLN H H 82 8.200 7.961 0.239 1
1 963 . 3 1 1 A 83 83 GLN HA H 82 4.310 4.232 0.078 1
1 968 . 3 1 1 A 83 83 GLN C C 82 175.500 175.544 -0.044 1
1 969 . 3 1 1 A 83 83 GLN CA C 82 55.700 57.137 -1.437 1
1 970 . 3 1 1 A 83 83 GLN CB C 82 29.400 29.274 0.126 1
1 972 . 3 1 1 A 83 83 GLN N N 82 116.900 118.417 -1.517 1
1 973 . 3 1 1 A 84 84 LEU H H 83 7.990 8.007 -0.017 1
1 974 . 3 1 1 A 84 84 LEU HA H 83 4.610 4.628 -0.018 1
1 984 . 3 1 1 A 84 84 LEU C C 83 176.500 176.168 0.332 1
1 985 . 3 1 1 A 84 84 LEU CA C 83 54.300 53.714 0.586 1
1 986 . 3 1 1 A 84 84 LEU CB C 83 42.600 42.886 -0.286 1
1 990 . 3 1 1 A 84 84 LEU N N 83 121.400 121.341 0.059 1
1 991 . 3 1 1 A 85 85 SER H H 84 8.630 8.864 -0.234 1
1 992 . 3 1 1 A 85 85 SER HA H 84 4.410 4.702 -0.292 1
1 995 . 3 1 1 A 85 85 SER C C 84 173.700 173.557 0.143 1
1 996 . 3 1 1 A 85 85 SER CA C 84 59.400 57.401 1.999 1
1 997 . 3 1 1 A 85 85 SER CB C 84 63.900 64.482 -0.582 1
1 998 . 3 1 1 A 85 85 SER N N 84 118.400 120.639 -2.239 1
1 999 . 3 1 1 A 86 86 GLU H H 85 7.690 7.813 -0.123 1
1 1000 . 3 1 1 A 86 86 GLU HA H 85 4.530 4.848 -0.318 1
1 1005 . 3 1 1 A 86 86 GLU C C 85 175.400 175.231 0.169 1
1 1006 . 3 1 1 A 86 86 GLU CA C 85 54.900 54.885 0.015 1
1 1007 . 3 1 1 A 86 86 GLU CB C 85 31.200 33.801 -2.601 1
1 1009 . 3 1 1 A 86 86 GLU N N 85 119.400 120.288 -0.888 1
1 1010 . 3 1 1 A 87 87 LYS H H 86 8.380 8.504 -0.124 1
1 1011 . 3 1 1 A 87 87 LYS HA H 86 4.230 4.852 -0.622 1
1 1018 . 3 1 1 A 87 87 LYS C C 86 176.900 176.094 0.806 1
1 1019 . 3 1 1 A 87 87 LYS CA C 86 57.000 55.662 1.338 1
1 1020 . 3 1 1 A 87 87 LYS CB C 86 33.300 34.115 -0.815 1
1 1024 . 3 1 1 A 87 87 LYS N N 86 120.400 121.834 -1.434 1
1 1025 . 3 1 1 A 88 88 VAL H H 87 8.960 9.156 -0.196 1
1 1026 . 3 1 1 A 88 88 VAL HA H 87 3.970 4.231 -0.261 1
1 1034 . 3 1 1 A 88 88 VAL C C 87 174.700 175.574 -0.874 1
1 1035 . 3 1 1 A 88 88 VAL CA C 87 63.300 62.443 0.857 1
1 1036 . 3 1 1 A 88 88 VAL CB C 87 32.400 31.888 0.512 1
1 1038 . 3 1 1 A 88 88 VAL N N 87 125.200 124.112 1.088 1
1 1039 . 3 1 1 A 89 89 SER H H 88 8.190 8.827 -0.637 1
1 1040 . 3 1 1 A 89 89 SER HA H 88 4.990 4.598 0.392 1
1 1043 . 3 1 1 A 89 89 SER C C 88 175.700 175.807 -0.107 1
1 1044 . 3 1 1 A 89 89 SER CA C 88 56.200 57.815 -1.615 1
1 1045 . 3 1 1 A 89 89 SER CB C 88 66.600 64.463 2.137 1
1 1046 . 3 1 1 A 89 89 SER N N 88 121.700 123.158 -1.458 1
1 1047 . 3 1 1 A 90 90 GLU H H 89 9.230 8.852 0.378 1
1 1048 . 3 1 1 A 90 90 GLU HA H 89 3.720 3.991 -0.271 1
1 1053 . 3 1 1 A 90 90 GLU C C 89 177.700 179.128 -1.428 1
1 1054 . 3 1 1 A 90 90 GLU CA C 89 61.200 59.947 1.253 1
1 1055 . 3 1 1 A 90 90 GLU CB C 89 29.100 29.397 -0.297 1
1 1057 . 3 1 1 A 90 90 GLU N N 89 121.600 123.804 -2.204 1
1 1058 . 3 1 1 A 91 91 GLN H H 90 8.430 8.052 0.378 1
1 1059 . 3 1 1 A 91 91 GLN HA H 90 4.040 4.001 0.039 1
1 1066 . 3 1 1 A 91 91 GLN C C 90 178.900 178.398 0.502 1
1 1067 . 3 1 1 A 91 91 GLN CA C 90 59.100 59.577 -0.477 1
1 1068 . 3 1 1 A 91 91 GLN CB C 90 27.800 28.060 -0.260 1
1 1070 . 3 1 1 A 91 91 GLN N N 90 117.100 119.411 -2.311 1
1 1072 . 3 1 1 A 92 92 GLY H H 91 8.080 8.145 -0.065 1
1 1073 . 3 1 1 A 92 92 GLY HA2 H 91 3.890 3.619 0.271 1
1 1074 . 3 1 1 A 92 92 GLY HA3 H 91 3.890 3.621 0.269 1
1 1075 . 3 1 1 A 92 92 GLY C C 91 176.600 175.590 1.010 1
1 1076 . 3 1 1 A 92 92 GLY CA C 91 46.900 47.136 -0.236 1
1 1077 . 3 1 1 A 92 92 GLY N N 91 109.400 107.177 2.223 1
1 1078 . 3 1 1 A 93 93 LEU H H 92 8.610 8.355 0.255 1
1 1079 . 3 1 1 A 93 93 LEU HA H 92 4.000 4.252 -0.252 1
1 1089 . 3 1 1 A 93 93 LEU C C 92 178.000 178.706 -0.706 1
1 1090 . 3 1 1 A 93 93 LEU CA C 92 57.500 57.086 0.414 1
1 1091 . 3 1 1 A 93 93 LEU CB C 92 41.800 41.240 0.560 1
1 1095 . 3 1 1 A 93 93 LEU N N 92 123.700 122.681 1.019 1
1 1096 . 3 1 1 A 94 94 ILE H H 93 7.970 8.290 -0.320 1
1 1097 . 3 1 1 A 94 94 ILE HA H 93 3.640 3.594 0.046 1
1 1107 . 3 1 1 A 94 94 ILE C C 93 178.500 178.282 0.218 1
1 1108 . 3 1 1 A 94 94 ILE CA C 93 64.800 64.831 -0.031 1
1 1109 . 3 1 1 A 94 94 ILE CB C 93 37.100 37.377 -0.277 1
1 1113 . 3 1 1 A 94 94 ILE N N 93 119.900 119.015 0.885 1
1 1114 . 3 1 1 A 95 95 GLU H H 94 7.610 7.848 -0.238 1
1 1115 . 3 1 1 A 95 95 GLU HA H 94 4.090 4.063 0.027 1
1 1120 . 3 1 1 A 95 95 GLU C C 94 179.400 179.922 -0.522 1
1 1121 . 3 1 1 A 95 95 GLU CA C 94 59.200 59.316 -0.116 1
1 1122 . 3 1 1 A 95 95 GLU CB C 94 28.800 29.698 -0.898 1
1 1124 . 3 1 1 A 95 95 GLU N N 94 118.800 121.510 -2.710 1
1 1125 . 3 1 1 A 96 96 ILE H H 95 7.840 7.522 0.318 1
1 1126 . 3 1 1 A 96 96 ILE HA H 95 3.520 3.785 -0.265 1
1 1136 . 3 1 1 A 96 96 ILE C C 95 177.500 178.264 -0.764 1
1 1137 . 3 1 1 A 96 96 ILE CA C 95 65.500 64.543 0.957 1
1 1138 . 3 1 1 A 96 96 ILE CB C 95 37.900 37.942 -0.042 1
1 1142 . 3 1 1 A 96 96 ILE N N 95 121.600 120.688 0.912 1
1 1143 . 3 1 1 A 97 97 LEU H H 96 8.620 8.607 0.013 1
1 1144 . 3 1 1 A 97 97 LEU HA H 96 3.800 4.041 -0.241 1
1 1151 . 3 1 1 A 97 97 LEU C C 96 179.400 178.795 0.605 1
1 1152 . 3 1 1 A 97 97 LEU CA C 96 58.600 58.460 0.140 1
1 1153 . 3 1 1 A 97 97 LEU CB C 96 41.500 41.702 -0.202 1
1 1156 . 3 1 1 A 97 97 LEU N N 96 120.400 121.278 -0.878 1
1 1157 . 3 1 1 A 98 98 LYS H H 97 7.750 8.264 -0.514 1
1 1158 . 3 1 1 A 98 98 LYS HA H 97 3.990 4.083 -0.093 1
1 1167 . 3 1 1 A 98 98 LYS C C 97 178.600 179.518 -0.918 1
1 1168 . 3 1 1 A 98 98 LYS CA C 97 59.400 60.190 -0.790 1
1 1169 . 3 1 1 A 98 98 LYS CB C 97 32.300 32.072 0.228 1
1 1172 . 3 1 1 A 98 98 LYS N N 97 119.000 118.987 0.013 1
1 1173 . 3 1 1 A 99 99 LYS H H 98 7.710 7.668 0.042 1
1 1174 . 3 1 1 A 99 99 LYS HA H 98 4.110 3.953 0.157 1
1 1183 . 3 1 1 A 99 99 LYS C C 98 179.100 179.524 -0.424 1
1 1184 . 3 1 1 A 99 99 LYS CA C 98 59.100 59.502 -0.402 1
1 1185 . 3 1 1 A 99 99 LYS CB C 98 32.500 32.166 0.334 1
1 1189 . 3 1 1 A 99 99 LYS N N 98 119.500 120.006 -0.506 1
1 1190 . 3 1 1 A 100 100 VAL H H 99 8.210 7.756 0.454 1
1 1191 . 3 1 1 A 100 100 VAL HA H 99 3.920 3.885 0.035 1
1 1196 . 3 1 1 A 100 100 VAL C C 99 177.600 177.355 0.245 1
1 1197 . 3 1 1 A 100 100 VAL CA C 99 64.200 64.668 -0.468 1
1 1198 . 3 1 1 A 100 100 VAL CB C 99 31.500 31.162 0.338 1
1 1200 . 3 1 1 A 100 100 VAL N N 99 115.800 114.657 1.143 1
1 1201 . 3 1 1 A 101 101 SER H H 100 7.900 7.797 0.103 1
1 1202 . 3 1 1 A 101 101 SER HA H 100 4.340 4.347 -0.007 1
1 1205 . 3 1 1 A 101 101 SER C C 100 174.600 175.795 -1.195 1
1 1206 . 3 1 1 A 101 101 SER CA C 100 60.400 60.161 0.239 1
1 1207 . 3 1 1 A 101 101 SER CB C 100 63.600 63.545 0.055 1
1 1208 . 3 1 1 A 101 101 SER N N 100 116.500 115.588 0.912 1
1 1209 . 3 1 1 A 102 102 GLN H H 101 7.860 7.615 0.245 1
1 1210 . 3 1 1 A 102 102 GLN HA H 101 4.280 4.465 -0.185 1
1 1215 . 3 1 1 A 102 102 GLN C C 101 176.400 176.872 -0.472 1
1 1216 . 3 1 1 A 102 102 GLN CA C 101 56.800 56.750 0.050 1
1 1217 . 3 1 1 A 102 102 GLN CB C 101 28.900 30.284 -1.384 1
1 1219 . 3 1 1 A 102 102 GLN N N 101 120.100 118.284 1.816 1
1 1220 . 3 1 1 A 103 103 GLN H H 102 8.080 8.070 0.010 1
1 1221 . 3 1 1 A 103 103 GLN HA H 102 4.360 4.599 -0.239 1
1 1226 . 3 1 1 A 103 103 GLN C C 102 176.500 176.652 -0.152 1
1 1227 . 3 1 1 A 103 103 GLN CA C 102 56.700 56.340 0.360 1
1 1228 . 3 1 1 A 103 103 GLN CB C 102 29.000 30.284 -1.284 1
1 1230 . 3 1 1 A 103 103 GLN N N 102 119.700 117.402 2.298 1
1 1231 . 3 1 1 A 104 104 THR H H 103 8.070 7.882 0.188 1
1 1232 . 3 1 1 A 104 104 THR HA H 103 4.350 4.417 -0.067 1
1 1237 . 3 1 1 A 104 104 THR C C 103 174.700 174.422 0.278 1
1 1238 . 3 1 1 A 104 104 THR CA C 103 62.500 62.999 -0.499 1
1 1239 . 3 1 1 A 104 104 THR CB C 103 69.800 71.130 -1.330 1
1 1241 . 3 1 1 A 104 104 THR N N 103 113.900 109.062 4.838 1
1 1242 . 3 1 1 A 105 105 GLU H H 104 8.290 8.066 0.224 1
1 1243 . 3 1 1 A 105 105 GLU HA H 104 4.350 4.571 -0.221 1
1 1248 . 3 1 1 A 105 105 GLU C C 104 176.300 173.814 2.486 1
1 1249 . 3 1 1 A 105 105 GLU CA C 104 56.700 55.054 1.646 1
1 1250 . 3 1 1 A 105 105 GLU CB C 104 29.900 32.834 -2.934 1
1 1252 . 3 1 1 A 105 105 GLU N N 104 122.900 115.865 7.035 1
1 1253 . 3 1 1 A 106 106 LYS H H 105 8.320 8.516 -0.196 1
1 1254 . 3 1 1 A 106 106 LYS HA H 105 4.390 5.031 -0.641 1
1 1263 . 3 1 1 A 106 106 LYS C C 105 176.800 174.956 1.844 1
1 1264 . 3 1 1 A 106 106 LYS CA C 105 56.700 54.392 2.308 1
1 1265 . 3 1 1 A 106 106 LYS CB C 105 32.800 36.461 -3.661 1
1 1269 . 3 1 1 A 106 106 LYS N N 105 121.900 119.941 1.959 1
1 1270 . 3 1 1 A 107 107 THR H H 106 8.150 8.740 -0.590 1
1 1271 . 3 1 1 A 107 107 THR HA H 106 4.430 4.697 -0.267 1
1 1276 . 3 1 1 A 107 107 THR C C 106 174.600 173.496 1.104 1
1 1277 . 3 1 1 A 107 107 THR CA C 106 62.000 60.447 1.553 1
1 1278 . 3 1 1 A 107 107 THR CB C 106 70.000 69.665 0.335 1
1 1280 . 3 1 1 A 107 107 THR N N 106 115.000 118.100 -3.100 1
1 1281 . 3 1 1 A 108 108 THR H H 107 8.190 8.854 -0.664 1
1 1282 . 3 1 1 A 108 108 THR HA H 107 4.440 4.207 0.233 1
1 1287 . 3 1 1 A 108 108 THR C C 107 174.500 174.381 0.119 1
1 1288 . 3 1 1 A 108 108 THR CA C 107 62.000 64.241 -2.241 1
1 1289 . 3 1 1 A 108 108 THR CB C 107 69.800 69.127 0.673 1
1 1291 . 3 1 1 A 108 108 THR N N 107 116.500 124.443 -7.943 1
1 1292 . 3 1 1 A 109 109 THR H H 108 8.170 8.968 -0.798 1
1 1293 . 3 1 1 A 109 109 THR HA H 108 4.350 4.707 -0.357 1
1 1298 . 3 1 1 A 109 109 THR C C 108 174.200 174.109 0.091 1
1 1299 . 3 1 1 A 109 109 THR CA C 108 62.000 61.117 0.883 1
1 1300 . 3 1 1 A 109 109 THR CB C 108 69.800 69.259 0.541 1
1 1302 . 3 1 1 A 109 109 THR N N 108 117.200 122.812 -5.612 1
1 1303 . 3 1 1 A 110 110 VAL H H 109 8.100 8.705 -0.605 1
1 1304 . 3 1 1 A 110 110 VAL HA H 109 4.040 4.408 -0.368 1
1 1312 . 3 1 1 A 110 110 VAL C C 109 175.200 175.796 -0.596 1
1 1313 . 3 1 1 A 110 110 VAL CA C 109 62.300 62.670 -0.370 1
1 1314 . 3 1 1 A 110 110 VAL CB C 109 32.600 33.305 -0.705 1
1 1316 . 3 1 1 A 110 110 VAL N N 109 123.100 125.727 -2.627 1
1 1317 . 3 1 1 A 111 111 LYS H H 110 8.200 8.092 0.108 1
1 1318 . 3 1 1 A 111 111 LYS HA H 110 4.310 3.992 0.318 1
1 1327 . 3 1 1 A 111 111 LYS C C 110 175.700 175.479 0.221 1
1 1328 . 3 1 1 A 111 111 LYS CA C 110 55.700 57.197 -1.497 1
1 1329 . 3 1 1 A 111 111 LYS CB C 110 33.300 31.019 2.281 1
1 1333 . 3 1 1 A 111 111 LYS N N 110 125.200 121.825 3.375 1
1 1334 . 3 1 1 A 112 112 PHE H H 111 8.310 8.004 0.306 1
1 1335 . 3 1 1 A 112 112 PHE HA H 111 4.650 5.007 -0.357 1
1 1338 . 3 1 1 A 112 112 PHE C C 111 174.500 172.948 1.552 1
1 1339 . 3 1 1 A 112 112 PHE CA C 111 57.500 57.625 -0.125 1
1 1340 . 3 1 1 A 112 112 PHE CB C 111 39.700 42.950 -3.250 1
1 1341 . 3 1 1 A 112 112 PHE N N 111 122.100 120.875 1.225 1
1 1 . 4 1 1 A 2 2 SER H H 1 8.780 8.019 0.761 1
1 2 . 4 1 1 A 2 2 SER HA H 1 4.480 4.462 0.018 1
1 5 . 4 1 1 A 2 2 SER C C 1 175.000 175.460 -0.460 1
1 6 . 4 1 1 A 2 2 SER CA C 1 59.100 58.543 0.557 1
1 7 . 4 1 1 A 2 2 SER CB C 1 63.900 64.189 -0.289 1
1 8 . 4 1 1 A 2 2 SER N N 1 116.600 115.190 1.410 1
1 9 . 4 1 1 A 3 3 ALA H H 2 8.710 8.914 -0.204 1
1 10 . 4 1 1 A 3 3 ALA HA H 2 4.310 4.033 0.277 1
1 14 . 4 1 1 A 3 3 ALA C C 2 178.800 179.488 -0.688 1
1 15 . 4 1 1 A 3 3 ALA CA C 2 53.800 55.658 -1.858 1
1 16 . 4 1 1 A 3 3 ALA CB C 2 18.500 18.172 0.328 1
1 17 . 4 1 1 A 3 3 ALA N N 2 125.500 126.671 -1.171 1
1 18 . 4 1 1 A 4 4 ASP H H 3 8.190 8.213 -0.023 1
1 19 . 4 1 1 A 4 4 ASP HA H 3 4.500 4.338 0.162 1
1 22 . 4 1 1 A 4 4 ASP C C 3 177.700 178.630 -0.930 1
1 23 . 4 1 1 A 4 4 ASP CA C 3 55.900 57.221 -1.321 1
1 24 . 4 1 1 A 4 4 ASP CB C 3 40.500 40.056 0.444 1
1 25 . 4 1 1 A 4 4 ASP N N 3 117.800 118.505 -0.705 1
1 26 . 4 1 1 A 5 5 GLU H H 4 8.150 8.344 -0.194 1
1 27 . 4 1 1 A 5 5 GLU HA H 4 4.140 4.053 0.087 1
1 32 . 4 1 1 A 5 5 GLU C C 4 178.600 178.555 0.045 1
1 33 . 4 1 1 A 5 5 GLU CA C 4 58.600 59.629 -1.029 1
1 34 . 4 1 1 A 5 5 GLU CB C 4 29.100 29.169 -0.069 1
1 36 . 4 1 1 A 5 5 GLU N N 4 120.800 120.000 0.800 1
1 37 . 4 1 1 A 6 6 GLU H H 5 8.250 8.796 -0.546 1
1 38 . 4 1 1 A 6 6 GLU HA H 5 4.200 4.087 0.113 1
1 43 . 4 1 1 A 6 6 GLU C C 5 178.300 178.939 -0.639 1
1 44 . 4 1 1 A 6 6 GLU CA C 5 58.600 59.197 -0.597 1
1 45 . 4 1 1 A 6 6 GLU CB C 5 28.800 29.109 -0.309 1
1 47 . 4 1 1 A 6 6 GLU N N 5 120.800 117.957 2.843 1
1 48 . 4 1 1 A 7 7 LEU H H 6 7.990 8.200 -0.210 1
1 49 . 4 1 1 A 7 7 LEU HA H 6 4.170 4.089 0.081 1
1 58 . 4 1 1 A 7 7 LEU C C 6 179.500 178.345 1.155 1
1 59 . 4 1 1 A 7 7 LEU CA C 6 57.500 57.952 -0.452 1
1 60 . 4 1 1 A 7 7 LEU CB C 6 41.600 42.473 -0.873 1
1 64 . 4 1 1 A 7 7 LEU N N 6 120.900 122.650 -1.750 1
1 65 . 4 1 1 A 8 8 GLU H H 7 8.130 8.493 -0.363 1
1 66 . 4 1 1 A 8 8 GLU HA H 7 4.160 3.966 0.194 1
1 71 . 4 1 1 A 8 8 GLU C C 7 178.300 178.500 -0.200 1
1 72 . 4 1 1 A 8 8 GLU CA C 7 58.800 59.738 -0.938 1
1 73 . 4 1 1 A 8 8 GLU CB C 7 28.800 29.434 -0.634 1
1 75 . 4 1 1 A 8 8 GLU N N 7 120.100 119.318 0.782 1
1 76 . 4 1 1 A 9 9 ALA H H 8 8.030 7.562 0.468 1
1 77 . 4 1 1 A 9 9 ALA HA H 8 4.090 4.103 -0.013 1
1 81 . 4 1 1 A 9 9 ALA C C 8 180.500 179.889 0.611 1
1 82 . 4 1 1 A 9 9 ALA CA C 8 55.100 55.012 0.088 1
1 83 . 4 1 1 A 9 9 ALA CB C 8 17.900 17.980 -0.080 1
1 84 . 4 1 1 A 9 9 ALA N N 8 122.100 122.263 -0.163 1
1 85 . 4 1 1 A 10 10 LEU H H 9 7.890 8.683 -0.793 1
1 86 . 4 1 1 A 10 10 LEU HA H 9 4.160 3.883 0.277 1
1 95 . 4 1 1 A 10 10 LEU C C 9 179.200 178.989 0.211 1
1 96 . 4 1 1 A 10 10 LEU CA C 9 57.500 57.964 -0.464 1
1 97 . 4 1 1 A 10 10 LEU CB C 9 41.800 41.239 0.561 1
1 101 . 4 1 1 A 10 10 LEU N N 9 119.500 118.889 0.611 1
1 102 . 4 1 1 A 11 11 ARG H H 10 8.080 8.032 0.048 1
1 103 . 4 1 1 A 11 11 ARG HA H 10 4.010 3.823 0.187 1
1 110 . 4 1 1 A 11 11 ARG C C 10 178.900 178.906 -0.006 1
1 111 . 4 1 1 A 11 11 ARG CA C 10 59.400 59.803 -0.403 1
1 112 . 4 1 1 A 11 11 ARG CB C 10 30.100 29.657 0.443 1
1 115 . 4 1 1 A 11 11 ARG N N 10 120.400 119.828 0.572 1
1 116 . 4 1 1 A 12 12 ARG H H 11 8.170 7.757 0.413 1
1 117 . 4 1 1 A 12 12 ARG HA H 11 4.040 4.141 -0.101 1
1 124 . 4 1 1 A 12 12 ARG C C 11 178.900 178.864 0.036 1
1 125 . 4 1 1 A 12 12 ARG CA C 11 59.300 59.575 -0.275 1
1 126 . 4 1 1 A 12 12 ARG CB C 11 30.000 29.873 0.127 1
1 129 . 4 1 1 A 12 12 ARG N N 11 118.400 118.301 0.099 1
1 130 . 4 1 1 A 13 13 GLN H H 12 8.060 8.151 -0.091 1
1 131 . 4 1 1 A 13 13 GLN HA H 12 4.150 3.988 0.162 1
1 136 . 4 1 1 A 13 13 GLN C C 12 177.900 178.426 -0.526 1
1 137 . 4 1 1 A 13 13 GLN CA C 12 58.600 59.210 -0.610 1
1 138 . 4 1 1 A 13 13 GLN CB C 12 28.500 28.282 0.218 1
1 140 . 4 1 1 A 13 13 GLN N N 12 120.400 119.402 0.998 1
1 141 . 4 1 1 A 14 14 ARG H H 13 8.180 8.257 -0.077 1
1 142 . 4 1 1 A 14 14 ARG HA H 13 4.160 4.082 0.078 1
1 149 . 4 1 1 A 14 14 ARG C C 13 178.600 178.374 0.226 1
1 150 . 4 1 1 A 14 14 ARG CA C 13 58.600 58.650 -0.050 1
1 151 . 4 1 1 A 14 14 ARG CB C 13 29.900 30.105 -0.205 1
1 154 . 4 1 1 A 14 14 ARG N N 13 119.900 119.864 0.036 1
1 155 . 4 1 1 A 15 15 LEU H H 14 7.980 7.800 0.180 1
1 156 . 4 1 1 A 15 15 LEU HA H 14 4.180 4.100 0.080 1
1 165 . 4 1 1 A 15 15 LEU C C 14 178.800 178.500 0.300 1
1 166 . 4 1 1 A 15 15 LEU CA C 14 57.300 57.504 -0.204 1
1 167 . 4 1 1 A 15 15 LEU CB C 14 41.700 41.433 0.267 1
1 171 . 4 1 1 A 15 15 LEU N N 14 119.900 121.003 -1.103 1
1 172 . 4 1 1 A 16 16 ALA H H 15 7.930 7.712 0.218 1
1 173 . 4 1 1 A 16 16 ALA HA H 15 4.190 4.119 0.071 1
1 177 . 4 1 1 A 16 16 ALA C C 15 180.100 179.469 0.631 1
1 178 . 4 1 1 A 16 16 ALA CA C 15 54.500 55.186 -0.686 1
1 179 . 4 1 1 A 16 16 ALA CB C 15 18.000 18.196 -0.196 1
1 180 . 4 1 1 A 16 16 ALA N N 15 122.000 121.381 0.619 1
1 181 . 4 1 1 A 17 17 GLU H H 16 8.010 8.357 -0.347 1
1 182 . 4 1 1 A 17 17 GLU HA H 16 4.160 4.004 0.156 1
1 187 . 4 1 1 A 17 17 GLU C C 16 178.100 179.178 -1.078 1
1 188 . 4 1 1 A 17 17 GLU CA C 16 58.100 59.409 -1.309 1
1 189 . 4 1 1 A 17 17 GLU CB C 16 28.900 29.623 -0.723 1
1 191 . 4 1 1 A 17 17 GLU N N 16 118.500 118.551 -0.051 1
1 192 . 4 1 1 A 18 18 LEU H H 17 7.890 8.197 -0.307 1
1 193 . 4 1 1 A 18 18 LEU HA H 17 4.200 4.076 0.124 1
1 203 . 4 1 1 A 18 18 LEU C C 17 178.700 176.422 2.278 1
1 204 . 4 1 1 A 18 18 LEU CA C 17 56.900 57.545 -0.645 1
1 205 . 4 1 1 A 18 18 LEU CB C 17 42.100 42.016 0.084 1
1 209 . 4 1 1 A 18 18 LEU N N 17 120.400 120.809 -0.409 1
1 210 . 4 1 1 A 19 19 GLN H H 18 8.020 7.589 0.431 1
1 211 . 4 1 1 A 19 19 GLN HA H 18 4.200 3.913 0.287 1
1 216 . 4 1 1 A 19 19 GLN C C 18 176.700 175.101 1.599 1
1 217 . 4 1 1 A 19 19 GLN CA C 18 56.900 56.830 0.070 1
1 218 . 4 1 1 A 19 19 GLN CB C 18 28.800 26.942 1.858 1
1 220 . 4 1 1 A 19 19 GLN N N 18 118.500 117.062 1.438 1
1 221 . 4 1 1 A 20 20 ALA H H 19 7.850 7.689 0.161 1
1 222 . 4 1 1 A 20 20 ALA HA H 19 4.240 4.197 0.043 1
1 226 . 4 1 1 A 20 20 ALA C C 19 178.000 177.690 0.310 1
1 227 . 4 1 1 A 20 20 ALA CA C 19 53.100 53.090 0.010 1
1 228 . 4 1 1 A 20 20 ALA CB C 19 18.700 19.160 -0.460 1
1 229 . 4 1 1 A 20 20 ALA N N 19 122.700 120.972 1.728 1
1 230 . 4 1 1 A 21 21 LYS H H 20 7.950 8.373 -0.423 1
1 231 . 4 1 1 A 21 21 LYS HA H 20 4.260 4.643 -0.383 1
1 238 . 4 1 1 A 21 21 LYS C C 20 176.600 175.659 0.941 1
1 239 . 4 1 1 A 21 21 LYS CA C 20 56.500 55.549 0.951 1
1 240 . 4 1 1 A 21 21 LYS CB C 20 32.600 33.653 -1.053 1
1 244 . 4 1 1 A 21 21 LYS N N 20 118.800 122.221 -3.421 1
1 245 . 4 1 1 A 22 22 HIS H H 21 8.320 8.500 -0.180 1
1 246 . 4 1 1 A 22 22 HIS HA H 21 4.730 4.818 -0.088 1
1 249 . 4 1 1 A 22 22 HIS C C 21 174.800 175.155 -0.355 1
1 250 . 4 1 1 A 22 22 HIS CA C 21 55.400 55.704 -0.304 1
1 251 . 4 1 1 A 22 22 HIS CB C 21 28.800 28.808 -0.008 1
1 252 . 4 1 1 A 22 22 HIS N N 21 118.600 120.499 -1.899 1
1 253 . 4 1 1 A 23 23 GLY H H 22 8.360 8.362 -0.002 1
1 254 . 4 1 1 A 23 23 GLY HA2 H 22 3.960 3.977 -0.017 1
1 255 . 4 1 1 A 23 23 GLY HA3 H 22 3.960 4.002 -0.042 1
1 256 . 4 1 1 A 23 23 GLY C C 22 173.200 173.208 -0.008 1
1 257 . 4 1 1 A 23 23 GLY CA C 22 45.000 45.224 -0.224 1
1 258 . 4 1 1 A 23 23 GLY N N 22 109.600 109.992 -0.392 1
1 259 . 4 1 1 A 24 24 ASP H H 23 8.320 7.878 0.442 1
1 260 . 4 1 1 A 24 24 ASP HA H 23 4.940 5.052 -0.112 1
1 263 . 4 1 1 A 24 24 ASP C C 23 174.900 175.587 -0.687 1
1 264 . 4 1 1 A 24 24 ASP CA C 23 52.200 50.598 1.602 1
1 265 . 4 1 1 A 24 24 ASP CB C 23 41.300 43.732 -2.432 1
1 266 . 4 1 1 A 24 24 ASP N N 23 121.600 119.116 2.484 1
1 267 . 4 1 1 A 25 25 PRO HA H 24 4.430 4.270 0.160 1
1 274 . 4 1 1 A 25 25 PRO C C 24 177.800 178.271 -0.471 1
1 275 . 4 1 1 A 25 25 PRO CA C 24 64.100 64.984 -0.884 1
1 276 . 4 1 1 A 25 25 PRO CB C 24 31.900 31.869 0.031 1
1 279 . 4 1 1 A 26 26 GLY H H 25 8.520 8.712 -0.192 1
1 280 . 4 1 1 A 26 26 GLY HA2 H 25 3.940 3.917 0.023 1
1 281 . 4 1 1 A 26 26 GLY HA3 H 25 3.940 3.918 0.022 1
1 282 . 4 1 1 A 26 26 GLY C C 25 174.400 174.935 -0.535 1
1 283 . 4 1 1 A 26 26 GLY CA C 25 45.500 46.255 -0.755 1
1 284 . 4 1 1 A 26 26 GLY N N 25 108.300 105.810 2.490 1
1 285 . 4 1 1 A 27 27 ASP H H 26 8.100 7.664 0.436 1
1 286 . 4 1 1 A 27 27 ASP HA H 26 4.610 4.712 -0.102 1
1 289 . 4 1 1 A 27 27 ASP C C 26 176.900 177.598 -0.698 1
1 290 . 4 1 1 A 27 27 ASP CA C 26 54.800 55.926 -1.126 1
1 291 . 4 1 1 A 27 27 ASP CB C 26 40.800 41.834 -1.034 1
1 292 . 4 1 1 A 27 27 ASP N N 26 120.700 120.965 -0.265 1
1 293 . 4 1 1 A 28 28 ALA H H 27 8.320 8.539 -0.219 1
1 294 . 4 1 1 A 28 28 ALA HA H 27 4.180 4.056 0.124 1
1 298 . 4 1 1 A 28 28 ALA C C 27 179.300 179.866 -0.566 1
1 299 . 4 1 1 A 28 28 ALA CA C 27 54.600 55.073 -0.473 1
1 300 . 4 1 1 A 28 28 ALA CB C 27 18.400 17.920 0.480 1
1 301 . 4 1 1 A 28 28 ALA N N 27 124.100 121.327 2.773 1
1 302 . 4 1 1 A 29 29 ALA H H 28 8.250 7.923 0.327 1
1 303 . 4 1 1 A 29 29 ALA HA H 28 4.230 4.049 0.181 1
1 307 . 4 1 1 A 29 29 ALA C C 28 180.000 179.729 0.271 1
1 308 . 4 1 1 A 29 29 ALA CA C 28 54.300 55.159 -0.859 1
1 309 . 4 1 1 A 29 29 ALA CB C 28 18.200 18.103 0.097 1
1 310 . 4 1 1 A 29 29 ALA N N 28 121.200 120.508 0.692 1
1 311 . 4 1 1 A 30 30 GLN H H 29 8.120 8.032 0.088 1
1 312 . 4 1 1 A 30 30 GLN HA H 29 4.230 4.064 0.166 1
1 317 . 4 1 1 A 30 30 GLN C C 29 177.900 178.495 -0.595 1
1 318 . 4 1 1 A 30 30 GLN CA C 29 57.800 58.618 -0.818 1
1 319 . 4 1 1 A 30 30 GLN CB C 29 28.600 28.235 0.365 1
1 321 . 4 1 1 A 30 30 GLN N N 29 118.800 117.596 1.204 1
1 322 . 4 1 1 A 31 31 GLN H H 30 8.240 8.393 -0.153 1
1 323 . 4 1 1 A 31 31 GLN HA H 30 4.120 4.037 0.083 1
1 328 . 4 1 1 A 31 31 GLN C C 30 178.100 178.202 -0.102 1
1 329 . 4 1 1 A 31 31 GLN CA C 30 58.000 59.202 -1.202 1
1 330 . 4 1 1 A 31 31 GLN CB C 30 28.500 28.457 0.043 1
1 332 . 4 1 1 A 31 31 GLN N N 30 119.600 120.424 -0.824 1
1 333 . 4 1 1 A 32 32 GLU H H 31 8.300 8.377 -0.077 1
1 334 . 4 1 1 A 32 32 GLU HA H 31 4.190 4.050 0.140 1
1 339 . 4 1 1 A 32 32 GLU C C 31 178.100 178.413 -0.313 1
1 340 . 4 1 1 A 32 32 GLU CA C 31 58.600 59.785 -1.185 1
1 341 . 4 1 1 A 32 32 GLU CB C 31 28.800 28.974 -0.174 1
1 343 . 4 1 1 A 32 32 GLU N N 31 120.800 119.623 1.177 1
1 344 . 4 1 1 A 33 33 ALA H H 32 8.070 7.708 0.362 1
1 345 . 4 1 1 A 33 33 ALA HA H 32 4.160 4.099 0.061 1
1 349 . 4 1 1 A 33 33 ALA C C 32 179.900 179.697 0.203 1
1 350 . 4 1 1 A 33 33 ALA CA C 32 54.900 54.889 0.011 1
1 351 . 4 1 1 A 33 33 ALA CB C 32 18.200 18.549 -0.349 1
1 352 . 4 1 1 A 33 33 ALA N N 32 123.000 121.397 1.603 1
1 353 . 4 1 1 A 34 34 LYS H H 33 8.050 7.792 0.258 1
1 354 . 4 1 1 A 34 34 LYS HA H 33 4.150 4.070 0.080 1
1 363 . 4 1 1 A 34 34 LYS C C 33 178.900 178.855 0.045 1
1 364 . 4 1 1 A 34 34 LYS CA C 33 58.600 58.924 -0.324 1
1 365 . 4 1 1 A 34 34 LYS CB C 33 32.300 31.876 0.424 1
1 369 . 4 1 1 A 34 34 LYS N N 33 118.600 118.921 -0.321 1
1 370 . 4 1 1 A 35 35 HIS H H 34 8.240 8.501 -0.261 1
1 371 . 4 1 1 A 35 35 HIS HA H 34 4.580 4.168 0.412 1
1 374 . 4 1 1 A 35 35 HIS C C 34 176.300 177.431 -1.131 1
1 375 . 4 1 1 A 35 35 HIS CA C 34 57.800 59.720 -1.920 1
1 376 . 4 1 1 A 35 35 HIS CB C 34 28.300 29.576 -1.276 1
1 377 . 4 1 1 A 35 35 HIS N N 34 119.100 119.588 -0.488 1
1 378 . 4 1 1 A 36 36 ARG H H 35 8.390 8.335 0.055 1
1 379 . 4 1 1 A 36 36 ARG HA H 35 4.160 3.867 0.293 1
1 386 . 4 1 1 A 36 36 ARG C C 35 178.500 178.965 -0.465 1
1 387 . 4 1 1 A 36 36 ARG CA C 35 58.800 59.320 -0.520 1
1 388 . 4 1 1 A 36 36 ARG CB C 35 29.200 29.844 -0.644 1
1 391 . 4 1 1 A 36 36 ARG N N 35 120.600 118.816 1.784 1
1 392 . 4 1 1 A 37 37 GLU H H 36 8.240 8.139 0.101 1
1 393 . 4 1 1 A 37 37 GLU HA H 36 4.080 4.021 0.059 1
1 398 . 4 1 1 A 37 37 GLU C C 36 178.200 178.635 -0.435 1
1 399 . 4 1 1 A 37 37 GLU CA C 36 59.100 59.020 0.080 1
1 400 . 4 1 1 A 37 37 GLU CB C 36 29.100 29.761 -0.661 1
1 402 . 4 1 1 A 37 37 GLU N N 36 120.400 119.724 0.676 1
1 403 . 4 1 1 A 38 38 ALA H H 37 7.980 7.705 0.275 1
1 404 . 4 1 1 A 38 38 ALA HA H 37 4.100 4.000 0.100 1
1 408 . 4 1 1 A 38 38 ALA C C 37 179.800 178.916 0.884 1
1 409 . 4 1 1 A 38 38 ALA CA C 37 55.100 55.241 -0.141 1
1 410 . 4 1 1 A 38 38 ALA CB C 37 18.000 18.552 -0.552 1
1 411 . 4 1 1 A 38 38 ALA N N 37 122.000 122.026 -0.026 1
1 412 . 4 1 1 A 39 39 GLU H H 38 8.050 8.337 -0.287 1
1 413 . 4 1 1 A 39 39 GLU HA H 38 4.120 3.934 0.186 1
1 418 . 4 1 1 A 39 39 GLU C C 38 179.000 178.428 0.572 1
1 419 . 4 1 1 A 39 39 GLU CA C 38 58.800 58.826 -0.026 1
1 420 . 4 1 1 A 39 39 GLU CB C 38 29.100 28.831 0.269 1
1 422 . 4 1 1 A 39 39 GLU N N 38 118.200 118.590 -0.390 1
1 423 . 4 1 1 A 40 40 MET H H 39 8.130 7.870 0.260 1
1 424 . 4 1 1 A 40 40 MET HA H 39 4.200 4.185 0.015 1
1 429 . 4 1 1 A 40 40 MET C C 39 178.200 178.475 -0.275 1
1 430 . 4 1 1 A 40 40 MET CA C 39 58.100 58.224 -0.124 1
1 431 . 4 1 1 A 40 40 MET CB C 39 32.300 32.034 0.266 1
1 433 . 4 1 1 A 40 40 MET N N 39 120.300 119.287 1.013 1
1 434 . 4 1 1 A 41 41 ARG HA H 40 3.890 4.085 -0.195 1
1 441 . 4 1 1 A 41 41 ARG C C 40 177.700 178.202 -0.502 1
1 442 . 4 1 1 A 41 41 ARG CA C 40 59.500 58.829 0.671 1
1 443 . 4 1 1 A 41 41 ARG CB C 40 30.300 29.976 0.324 1
1 444 . 4 1 1 A 42 42 ASN H H 41 8.190 8.339 -0.149 1
1 445 . 4 1 1 A 42 42 ASN HA H 41 4.440 4.478 -0.038 1
1 450 . 4 1 1 A 42 42 ASN C C 41 177.700 177.599 0.101 1
1 451 . 4 1 1 A 42 42 ASN CA C 41 55.900 56.230 -0.330 1
1 452 . 4 1 1 A 42 42 ASN CB C 41 38.100 38.618 -0.518 1
1 453 . 4 1 1 A 42 42 ASN N N 41 116.300 118.969 -2.669 1
1 455 . 4 1 1 A 43 43 SER H H 42 8.130 8.586 -0.456 1
1 456 . 4 1 1 A 43 43 SER HA H 42 4.300 4.126 0.174 1
1 459 . 4 1 1 A 43 43 SER C C 42 176.600 176.566 0.034 1
1 460 . 4 1 1 A 43 43 SER CA C 42 61.200 61.947 -0.747 1
1 461 . 4 1 1 A 43 43 SER CB C 42 63.100 62.804 0.296 1
1 462 . 4 1 1 A 43 43 SER N N 42 116.300 115.936 0.364 1
1 463 . 4 1 1 A 44 44 ILE H H 43 7.940 7.662 0.278 1
1 464 . 4 1 1 A 44 44 ILE HA H 43 3.860 3.766 0.094 1
1 474 . 4 1 1 A 44 44 ILE C C 43 178.400 177.991 0.409 1
1 475 . 4 1 1 A 44 44 ILE CA C 43 64.500 64.478 0.022 1
1 476 . 4 1 1 A 44 44 ILE CB C 43 37.900 37.449 0.451 1
1 480 . 4 1 1 A 44 44 ILE N N 43 122.500 118.003 4.497 1
1 481 . 4 1 1 A 45 45 LEU H H 44 8.070 7.779 0.291 1
1 482 . 4 1 1 A 45 45 LEU HA H 44 3.940 4.125 -0.185 1
1 492 . 4 1 1 A 45 45 LEU C C 44 178.200 179.236 -1.036 1
1 493 . 4 1 1 A 45 45 LEU CA C 44 58.100 57.416 0.684 1
1 494 . 4 1 1 A 45 45 LEU CB C 44 41.100 41.246 -0.146 1
1 498 . 4 1 1 A 45 45 LEU N N 44 119.100 121.878 -2.778 1
1 499 . 4 1 1 A 46 46 ALA H H 45 7.760 8.132 -0.372 1
1 500 . 4 1 1 A 46 46 ALA HA H 45 4.100 4.063 0.037 1
1 504 . 4 1 1 A 46 46 ALA C C 45 178.700 178.436 0.264 1
1 505 . 4 1 1 A 46 46 ALA CA C 45 54.100 54.670 -0.570 1
1 506 . 4 1 1 A 46 46 ALA CB C 45 18.100 18.132 -0.032 1
1 507 . 4 1 1 A 46 46 ALA N N 45 117.600 122.096 -4.496 1
1 508 . 4 1 1 A 47 47 GLN H H 46 7.570 7.322 0.248 1
1 509 . 4 1 1 A 47 47 GLN HA H 46 4.270 4.257 0.013 1
1 514 . 4 1 1 A 47 47 GLN C C 46 177.800 178.526 -0.726 1
1 515 . 4 1 1 A 47 47 GLN CA C 46 57.300 58.108 -0.808 1
1 516 . 4 1 1 A 47 47 GLN CB C 46 29.500 28.774 0.726 1
1 518 . 4 1 1 A 47 47 GLN N N 46 114.300 116.727 -2.427 1
1 519 . 4 1 1 A 48 48 VAL H H 47 7.690 7.091 0.599 1
1 520 . 4 1 1 A 48 48 VAL HA H 47 4.380 3.988 0.392 1
1 528 . 4 1 1 A 48 48 VAL C C 47 174.400 175.696 -1.296 1
1 529 . 4 1 1 A 48 48 VAL CA C 47 62.600 64.888 -2.288 1
1 530 . 4 1 1 A 48 48 VAL CB C 47 32.800 32.691 0.109 1
1 533 . 4 1 1 A 48 48 VAL N N 47 111.900 116.702 -4.802 1
1 534 . 4 1 1 A 49 49 LEU H H 48 7.480 8.170 -0.690 1
1 535 . 4 1 1 A 49 49 LEU HA H 48 4.910 4.702 0.208 1
1 545 . 4 1 1 A 49 49 LEU C C 48 177.000 175.983 1.017 1
1 546 . 4 1 1 A 49 49 LEU CA C 48 53.700 53.344 0.356 1
1 547 . 4 1 1 A 49 49 LEU CB C 48 44.500 42.665 1.835 1
1 551 . 4 1 1 A 49 49 LEU N N 48 119.600 118.830 0.770 1
1 552 . 4 1 1 A 50 50 ASP H H 49 8.430 9.092 -0.662 1
1 553 . 4 1 1 A 50 50 ASP HA H 49 4.630 4.579 0.051 1
1 556 . 4 1 1 A 50 50 ASP C C 49 176.000 177.315 -1.315 1
1 557 . 4 1 1 A 50 50 ASP CA C 49 53.000 53.888 -0.888 1
1 558 . 4 1 1 A 50 50 ASP CB C 49 40.200 42.289 -2.089 1
1 559 . 4 1 1 A 50 50 ASP N N 49 121.200 125.429 -4.229 1
1 560 . 4 1 1 A 51 51 GLN H H 50 8.580 9.027 -0.447 1
1 561 . 4 1 1 A 51 51 GLN HA H 50 3.950 3.964 -0.014 1
1 566 . 4 1 1 A 51 51 GLN C C 50 178.800 177.741 1.059 1
1 567 . 4 1 1 A 51 51 GLN CA C 50 60.200 58.849 1.351 1
1 568 . 4 1 1 A 51 51 GLN CB C 50 28.300 28.132 0.168 1
1 570 . 4 1 1 A 51 51 GLN N N 50 118.200 125.682 -7.482 1
1 571 . 4 1 1 A 52 52 SER H H 51 8.430 8.478 -0.048 1
1 572 . 4 1 1 A 52 52 SER HA H 51 4.320 4.230 0.090 1
1 575 . 4 1 1 A 52 52 SER C C 51 177.200 177.023 0.177 1
1 576 . 4 1 1 A 52 52 SER CA C 51 61.500 61.352 0.148 1
1 577 . 4 1 1 A 52 52 SER CB C 51 62.400 62.343 0.057 1
1 578 . 4 1 1 A 52 52 SER N N 51 117.000 115.710 1.290 1
1 579 . 4 1 1 A 53 53 ALA H H 52 8.760 7.688 1.072 1
1 580 . 4 1 1 A 53 53 ALA HA H 52 3.960 4.028 -0.068 1
1 584 . 4 1 1 A 53 53 ALA C C 52 178.900 179.049 -0.149 1
1 585 . 4 1 1 A 53 53 ALA CA C 52 55.400 54.996 0.404 1
1 586 . 4 1 1 A 53 53 ALA CB C 52 19.200 18.353 0.847 1
1 587 . 4 1 1 A 53 53 ALA N N 52 127.400 123.752 3.648 1
1 588 . 4 1 1 A 54 54 ARG H H 53 8.640 8.490 0.150 1
1 589 . 4 1 1 A 54 54 ARG HA H 53 3.880 3.972 -0.092 1
1 596 . 4 1 1 A 54 54 ARG C C 53 179.000 178.905 0.095 1
1 597 . 4 1 1 A 54 54 ARG CA C 53 59.700 59.470 0.230 1
1 598 . 4 1 1 A 54 54 ARG CB C 53 29.900 30.142 -0.242 1
1 601 . 4 1 1 A 54 54 ARG N N 53 118.200 117.864 0.336 1
1 602 . 4 1 1 A 55 55 ALA H H 54 7.960 8.352 -0.392 1
1 603 . 4 1 1 A 55 55 ALA HA H 54 4.190 4.064 0.126 1
1 607 . 4 1 1 A 55 55 ALA C C 54 180.100 179.445 0.655 1
1 608 . 4 1 1 A 55 55 ALA CA C 54 55.100 55.178 -0.078 1
1 609 . 4 1 1 A 55 55 ALA CB C 54 17.700 18.267 -0.567 1
1 610 . 4 1 1 A 55 55 ALA N N 54 122.200 121.776 0.424 1
1 611 . 4 1 1 A 56 56 ARG H H 55 7.800 7.917 -0.117 1
1 612 . 4 1 1 A 56 56 ARG HA H 55 4.160 4.132 0.028 1
1 619 . 4 1 1 A 56 56 ARG C C 55 178.900 178.132 0.768 1
1 620 . 4 1 1 A 56 56 ARG CA C 55 58.300 58.598 -0.298 1
1 621 . 4 1 1 A 56 56 ARG CB C 55 29.100 29.829 -0.729 1
1 624 . 4 1 1 A 56 56 ARG N N 55 119.100 119.083 0.017 1
1 625 . 4 1 1 A 57 57 LEU H H 56 8.390 8.385 0.005 1
1 626 . 4 1 1 A 57 57 LEU HA H 56 4.060 4.058 0.002 1
1 635 . 4 1 1 A 57 57 LEU C C 56 178.100 178.371 -0.271 1
1 636 . 4 1 1 A 57 57 LEU CA C 56 57.800 57.806 -0.006 1
1 637 . 4 1 1 A 57 57 LEU CB C 56 41.600 41.251 0.349 1
1 641 . 4 1 1 A 57 57 LEU N N 56 120.600 121.582 -0.982 1
1 642 . 4 1 1 A 58 58 SER H H 57 8.150 7.793 0.357 1
1 643 . 4 1 1 A 58 58 SER HA H 57 4.210 4.183 0.027 1
1 646 . 4 1 1 A 58 58 SER C C 57 176.500 177.275 -0.775 1
1 647 . 4 1 1 A 58 58 SER CA C 57 61.800 61.064 0.736 1
1 648 . 4 1 1 A 58 58 SER CB C 57 62.600 63.223 -0.623 1
1 649 . 4 1 1 A 58 58 SER N N 57 114.100 114.507 -0.407 1
1 650 . 4 1 1 A 59 59 ASN H H 58 7.700 7.750 -0.050 1
1 651 . 4 1 1 A 59 59 ASN HA H 58 4.580 4.506 0.074 1
1 656 . 4 1 1 A 59 59 ASN C C 58 178.000 177.962 0.038 1
1 657 . 4 1 1 A 59 59 ASN CA C 58 56.200 56.397 -0.197 1
1 658 . 4 1 1 A 59 59 ASN CB C 58 38.700 38.238 0.462 1
1 659 . 4 1 1 A 59 59 ASN N N 58 119.500 120.518 -1.018 1
1 661 . 4 1 1 A 60 60 LEU H H 59 8.250 7.998 0.252 1
1 662 . 4 1 1 A 60 60 LEU HA H 59 4.070 4.028 0.042 1
1 671 . 4 1 1 A 60 60 LEU C C 59 178.400 179.340 -0.940 1
1 672 . 4 1 1 A 60 60 LEU CA C 59 57.500 58.003 -0.503 1
1 673 . 4 1 1 A 60 60 LEU CB C 59 42.100 41.230 0.870 1
1 677 . 4 1 1 A 60 60 LEU N N 59 123.000 120.412 2.588 1
1 678 . 4 1 1 A 61 61 ALA H H 60 8.070 8.282 -0.212 1
1 679 . 4 1 1 A 61 61 ALA HA H 60 3.910 4.490 -0.580 1
1 683 . 4 1 1 A 61 61 ALA C C 60 178.400 178.151 0.249 1
1 684 . 4 1 1 A 61 61 ALA CA C 60 54.600 54.403 0.197 1
1 685 . 4 1 1 A 61 61 ALA CB C 60 18.200 18.212 -0.012 1
1 686 . 4 1 1 A 61 61 ALA N N 60 120.700 121.813 -1.113 1
1 687 . 4 1 1 A 62 62 LEU H H 61 7.170 7.385 -0.215 1
1 688 . 4 1 1 A 62 62 LEU HA H 61 4.200 4.301 -0.101 1
1 695 . 4 1 1 A 62 62 LEU C C 61 178.300 177.294 1.006 1
1 696 . 4 1 1 A 62 62 LEU CA C 61 56.500 55.585 0.915 1
1 697 . 4 1 1 A 62 62 LEU CB C 61 42.100 42.444 -0.344 1
1 701 . 4 1 1 A 62 62 LEU N N 61 113.700 116.785 -3.085 1
1 702 . 4 1 1 A 63 63 VAL H H 62 7.330 7.929 -0.599 1
1 703 . 4 1 1 A 63 63 VAL HA H 62 4.380 4.338 0.042 1
1 711 . 4 1 1 A 63 63 VAL C C 62 176.200 175.875 0.325 1
1 712 . 4 1 1 A 63 63 VAL CA C 62 62.800 64.138 -1.338 1
1 713 . 4 1 1 A 63 63 VAL CB C 62 33.900 33.763 0.137 1
1 716 . 4 1 1 A 63 63 VAL N N 62 112.500 118.029 -5.529 1
1 717 . 4 1 1 A 64 64 LYS H H 63 8.710 8.375 0.335 1
1 718 . 4 1 1 A 64 64 LYS HA H 63 5.000 4.767 0.233 1
1 727 . 4 1 1 A 64 64 LYS C C 63 174.200 174.948 -0.748 1
1 728 . 4 1 1 A 64 64 LYS CA C 63 53.600 53.880 -0.280 1
1 729 . 4 1 1 A 64 64 LYS CB C 63 33.400 32.901 0.499 1
1 733 . 4 1 1 A 64 64 LYS N N 63 120.400 119.236 1.164 1
1 734 . 4 1 1 A 65 65 PRO HA H 64 4.360 4.529 -0.169 1
1 741 . 4 1 1 A 65 65 PRO C C 64 179.400 178.026 1.374 1
1 742 . 4 1 1 A 65 65 PRO CA C 64 66.000 64.538 1.462 1
1 743 . 4 1 1 A 65 65 PRO CB C 64 31.400 32.047 -0.647 1
1 746 . 4 1 1 A 66 66 GLU H H 65 8.920 8.541 0.379 1
1 747 . 4 1 1 A 66 66 GLU HA H 65 4.200 4.064 0.136 1
1 752 . 4 1 1 A 66 66 GLU C C 65 179.600 179.382 0.218 1
1 753 . 4 1 1 A 66 66 GLU CA C 65 59.400 59.663 -0.263 1
1 754 . 4 1 1 A 66 66 GLU CB C 65 28.300 29.033 -0.733 1
1 756 . 4 1 1 A 66 66 GLU N N 65 118.700 117.943 0.757 1
1 757 . 4 1 1 A 67 67 LYS H H 66 8.000 7.713 0.287 1
1 758 . 4 1 1 A 67 67 LYS HA H 66 4.160 4.153 0.007 1
1 767 . 4 1 1 A 67 67 LYS C C 66 178.400 179.241 -0.841 1
1 768 . 4 1 1 A 67 67 LYS CA C 66 58.500 58.785 -0.285 1
1 769 . 4 1 1 A 67 67 LYS CB C 66 32.300 31.870 0.430 1
1 773 . 4 1 1 A 67 67 LYS N N 66 121.300 119.459 1.841 1
1 774 . 4 1 1 A 68 68 THR H H 67 7.960 7.639 0.321 1
1 775 . 4 1 1 A 68 68 THR HA H 67 4.130 3.841 0.289 1
1 780 . 4 1 1 A 68 68 THR C C 67 176.200 175.977 0.223 1
1 781 . 4 1 1 A 68 68 THR CA C 67 67.800 67.308 0.492 1
1 782 . 4 1 1 A 68 68 THR CB C 67 67.800 68.159 -0.359 1
1 784 . 4 1 1 A 68 68 THR N N 67 114.200 117.503 -3.303 1
1 785 . 4 1 1 A 69 69 LYS H H 68 7.770 7.835 -0.065 1
1 786 . 4 1 1 A 69 69 LYS HA H 68 3.990 3.995 -0.005 1
1 795 . 4 1 1 A 69 69 LYS C C 68 178.100 178.564 -0.464 1
1 796 . 4 1 1 A 69 69 LYS CA C 68 59.400 59.261 0.139 1
1 797 . 4 1 1 A 69 69 LYS CB C 68 31.700 32.568 -0.868 1
1 801 . 4 1 1 A 69 69 LYS N N 68 122.000 121.710 0.290 1
1 802 . 4 1 1 A 70 70 ALA H H 69 7.480 7.945 -0.465 1
1 803 . 4 1 1 A 70 70 ALA HA H 69 4.240 4.020 0.220 1
1 807 . 4 1 1 A 70 70 ALA C C 69 181.200 179.775 1.425 1
1 808 . 4 1 1 A 70 70 ALA CA C 69 55.200 55.181 0.019 1
1 809 . 4 1 1 A 70 70 ALA CB C 69 17.900 18.454 -0.554 1
1 810 . 4 1 1 A 70 70 ALA N N 69 120.300 121.563 -1.263 1
1 811 . 4 1 1 A 71 71 VAL H H 70 8.160 7.907 0.253 1
1 812 . 4 1 1 A 71 71 VAL HA H 70 3.620 3.822 -0.202 1
1 820 . 4 1 1 A 71 71 VAL C C 70 177.400 178.141 -0.741 1
1 821 . 4 1 1 A 71 71 VAL CA C 70 66.600 65.135 1.465 1
1 822 . 4 1 1 A 71 71 VAL CB C 70 31.500 31.548 -0.048 1
1 825 . 4 1 1 A 71 71 VAL N N 70 120.300 116.654 3.646 1
1 826 . 4 1 1 A 72 72 GLU H H 71 8.690 8.915 -0.225 1
1 827 . 4 1 1 A 72 72 GLU HA H 71 3.800 3.979 -0.179 1
1 832 . 4 1 1 A 72 72 GLU C C 71 178.000 178.882 -0.882 1
1 833 . 4 1 1 A 72 72 GLU CA C 71 60.400 59.673 0.727 1
1 834 . 4 1 1 A 72 72 GLU CB C 71 29.200 29.099 0.101 1
1 836 . 4 1 1 A 72 72 GLU N N 71 119.300 122.172 -2.872 1
1 837 . 4 1 1 A 73 73 ASN H H 72 8.460 8.207 0.253 1
1 838 . 4 1 1 A 73 73 ASN HA H 72 4.440 4.415 0.025 1
1 843 . 4 1 1 A 73 73 ASN C C 72 177.600 176.759 0.841 1
1 844 . 4 1 1 A 73 73 ASN CA C 72 56.200 56.315 -0.115 1
1 845 . 4 1 1 A 73 73 ASN CB C 72 37.600 39.461 -1.861 1
1 846 . 4 1 1 A 73 73 ASN N N 72 115.900 118.708 -2.808 1
1 848 . 4 1 1 A 74 74 TYR H H 73 7.940 8.027 -0.087 1
1 849 . 4 1 1 A 74 74 TYR HA H 73 4.200 4.230 -0.030 1
1 856 . 4 1 1 A 74 74 TYR C C 73 177.600 176.997 0.603 1
1 857 . 4 1 1 A 74 74 TYR CA C 73 61.500 61.446 0.054 1
1 858 . 4 1 1 A 74 74 TYR CB C 73 38.400 38.721 -0.321 1
1 863 . 4 1 1 A 74 74 TYR N N 73 122.400 120.330 2.070 1
1 864 . 4 1 1 A 75 75 LEU H H 74 8.410 8.958 -0.548 1
1 865 . 4 1 1 A 75 75 LEU HA H 74 3.930 3.812 0.118 1
1 875 . 4 1 1 A 75 75 LEU C C 74 178.500 179.137 -0.637 1
1 876 . 4 1 1 A 75 75 LEU CA C 74 58.100 57.855 0.245 1
1 877 . 4 1 1 A 75 75 LEU CB C 74 42.600 41.425 1.175 1
1 881 . 4 1 1 A 75 75 LEU N N 74 119.500 119.641 -0.141 1
1 882 . 4 1 1 A 76 76 ILE H H 75 8.400 8.226 0.174 1
1 883 . 4 1 1 A 76 76 ILE HA H 75 3.570 3.445 0.125 1
1 890 . 4 1 1 A 76 76 ILE C C 75 178.100 177.982 0.118 1
1 891 . 4 1 1 A 76 76 ILE CA C 75 65.200 65.315 -0.115 1
1 892 . 4 1 1 A 76 76 ILE CB C 75 37.800 37.774 0.026 1
1 896 . 4 1 1 A 76 76 ILE N N 75 118.600 119.655 -1.055 1
1 897 . 4 1 1 A 77 77 GLN H H 76 7.830 7.558 0.272 1
1 898 . 4 1 1 A 77 77 GLN HA H 76 3.920 3.687 0.233 1
1 903 . 4 1 1 A 77 77 GLN C C 76 178.100 177.963 0.137 1
1 904 . 4 1 1 A 77 77 GLN CA C 76 59.100 58.542 0.558 1
1 905 . 4 1 1 A 77 77 GLN CB C 76 28.000 28.479 -0.479 1
1 907 . 4 1 1 A 77 77 GLN N N 76 119.300 118.713 0.587 1
1 908 . 4 1 1 A 78 78 MET H H 77 8.060 8.077 -0.017 1
1 909 . 4 1 1 A 78 78 MET HA H 77 4.040 3.958 0.082 1
1 912 . 4 1 1 A 78 78 MET C C 77 178.700 177.594 1.106 1
1 913 . 4 1 1 A 78 78 MET CA C 77 58.600 58.245 0.355 1
1 914 . 4 1 1 A 78 78 MET CB C 77 33.000 31.918 1.082 1
1 916 . 4 1 1 A 78 78 MET N N 77 117.600 119.324 -1.724 1
1 917 . 4 1 1 A 79 79 ALA H H 78 8.210 8.084 0.126 1
1 918 . 4 1 1 A 79 79 ALA HA H 78 4.190 3.879 0.311 1
1 922 . 4 1 1 A 79 79 ALA C C 78 180.600 179.250 1.350 1
1 923 . 4 1 1 A 79 79 ALA CA C 78 54.100 55.329 -1.229 1
1 924 . 4 1 1 A 79 79 ALA CB C 78 18.400 17.695 0.705 1
1 925 . 4 1 1 A 79 79 ALA N N 78 121.400 121.135 0.265 1
1 926 . 4 1 1 A 80 80 ARG H H 79 8.120 7.506 0.614 1
1 927 . 4 1 1 A 80 80 ARG HA H 79 3.960 3.993 -0.033 1
1 934 . 4 1 1 A 80 80 ARG C C 79 177.900 178.437 -0.537 1
1 935 . 4 1 1 A 80 80 ARG CA C 79 58.800 58.485 0.315 1
1 936 . 4 1 1 A 80 80 ARG CB C 79 29.900 29.669 0.231 1
1 939 . 4 1 1 A 80 80 ARG N N 79 119.100 119.697 -0.597 1
1 940 . 4 1 1 A 81 81 TYR H H 80 7.800 7.212 0.588 1
1 941 . 4 1 1 A 81 81 TYR HA H 80 4.710 4.545 0.165 1
1 948 . 4 1 1 A 81 81 TYR C C 80 176.500 176.225 0.275 1
1 949 . 4 1 1 A 81 81 TYR CA C 80 57.500 58.034 -0.534 1
1 950 . 4 1 1 A 81 81 TYR CB C 80 38.100 38.694 -0.594 1
1 955 . 4 1 1 A 81 81 TYR N N 80 115.900 116.123 -0.223 1
1 956 . 4 1 1 A 82 82 GLY H H 81 7.850 7.847 0.003 1
1 957 . 4 1 1 A 82 82 GLY HA2 H 81 4.030 3.998 0.032 1
1 958 . 4 1 1 A 82 82 GLY HA3 H 81 4.030 4.018 0.012 1
1 959 . 4 1 1 A 82 82 GLY C C 81 174.900 175.274 -0.374 1
1 960 . 4 1 1 A 82 82 GLY CA C 81 46.300 46.640 -0.340 1
1 961 . 4 1 1 A 82 82 GLY N N 81 108.500 108.503 -0.003 1
1 962 . 4 1 1 A 83 83 GLN H H 82 8.200 7.884 0.316 1
1 963 . 4 1 1 A 83 83 GLN HA H 82 4.310 4.523 -0.213 1
1 968 . 4 1 1 A 83 83 GLN C C 82 175.500 175.219 0.281 1
1 969 . 4 1 1 A 83 83 GLN CA C 82 55.700 55.287 0.413 1
1 970 . 4 1 1 A 83 83 GLN CB C 82 29.400 28.815 0.585 1
1 972 . 4 1 1 A 83 83 GLN N N 82 116.900 117.644 -0.744 1
1 973 . 4 1 1 A 84 84 LEU H H 83 7.990 7.572 0.418 1
1 974 . 4 1 1 A 84 84 LEU HA H 83 4.610 4.534 0.076 1
1 984 . 4 1 1 A 84 84 LEU C C 83 176.500 176.358 0.142 1
1 985 . 4 1 1 A 84 84 LEU CA C 83 54.300 54.678 -0.378 1
1 986 . 4 1 1 A 84 84 LEU CB C 83 42.600 40.537 2.063 1
1 990 . 4 1 1 A 84 84 LEU N N 83 121.400 122.468 -1.068 1
1 991 . 4 1 1 A 85 85 SER H H 84 8.630 8.644 -0.014 1
1 992 . 4 1 1 A 85 85 SER HA H 84 4.410 4.349 0.061 1
1 995 . 4 1 1 A 85 85 SER C C 84 173.700 174.301 -0.601 1
1 996 . 4 1 1 A 85 85 SER CA C 84 59.400 60.709 -1.309 1
1 997 . 4 1 1 A 85 85 SER CB C 84 63.900 63.688 0.212 1
1 998 . 4 1 1 A 85 85 SER N N 84 118.400 121.168 -2.768 1
1 999 . 4 1 1 A 86 86 GLU H H 85 7.690 7.647 0.043 1
1 1000 . 4 1 1 A 86 86 GLU HA H 85 4.530 4.584 -0.054 1
1 1005 . 4 1 1 A 86 86 GLU C C 85 175.400 174.532 0.868 1
1 1006 . 4 1 1 A 86 86 GLU CA C 85 54.900 55.589 -0.689 1
1 1007 . 4 1 1 A 86 86 GLU CB C 85 31.200 32.797 -1.597 1
1 1009 . 4 1 1 A 86 86 GLU N N 85 119.400 116.299 3.101 1
1 1010 . 4 1 1 A 87 87 LYS H H 86 8.380 8.459 -0.079 1
1 1011 . 4 1 1 A 87 87 LYS HA H 86 4.230 4.460 -0.230 1
1 1018 . 4 1 1 A 87 87 LYS C C 86 176.900 176.383 0.517 1
1 1019 . 4 1 1 A 87 87 LYS CA C 86 57.000 56.301 0.699 1
1 1020 . 4 1 1 A 87 87 LYS CB C 86 33.300 33.028 0.272 1
1 1024 . 4 1 1 A 87 87 LYS N N 86 120.400 121.183 -0.783 1
1 1025 . 4 1 1 A 88 88 VAL H H 87 8.960 9.189 -0.229 1
1 1026 . 4 1 1 A 88 88 VAL HA H 87 3.970 4.284 -0.314 1
1 1034 . 4 1 1 A 88 88 VAL C C 87 174.700 175.782 -1.082 1
1 1035 . 4 1 1 A 88 88 VAL CA C 87 63.300 62.419 0.881 1
1 1036 . 4 1 1 A 88 88 VAL CB C 87 32.400 32.328 0.072 1
1 1038 . 4 1 1 A 88 88 VAL N N 87 125.200 125.243 -0.043 1
1 1039 . 4 1 1 A 89 89 SER H H 88 8.190 9.077 -0.887 1
1 1040 . 4 1 1 A 89 89 SER HA H 88 4.990 4.653 0.337 1
1 1043 . 4 1 1 A 89 89 SER C C 88 175.700 175.632 0.068 1
1 1044 . 4 1 1 A 89 89 SER CA C 88 56.200 57.846 -1.646 1
1 1045 . 4 1 1 A 89 89 SER CB C 88 66.600 64.689 1.911 1
1 1046 . 4 1 1 A 89 89 SER N N 88 121.700 121.499 0.201 1
1 1047 . 4 1 1 A 90 90 GLU H H 89 9.230 8.768 0.462 1
1 1048 . 4 1 1 A 90 90 GLU HA H 89 3.720 3.994 -0.274 1
1 1053 . 4 1 1 A 90 90 GLU C C 89 177.700 179.083 -1.383 1
1 1054 . 4 1 1 A 90 90 GLU CA C 89 61.200 59.925 1.275 1
1 1055 . 4 1 1 A 90 90 GLU CB C 89 29.100 29.506 -0.406 1
1 1057 . 4 1 1 A 90 90 GLU N N 89 121.600 122.823 -1.223 1
1 1058 . 4 1 1 A 91 91 GLN H H 90 8.430 8.032 0.398 1
1 1059 . 4 1 1 A 91 91 GLN HA H 90 4.040 3.978 0.062 1
1 1066 . 4 1 1 A 91 91 GLN C C 90 178.900 178.418 0.482 1
1 1067 . 4 1 1 A 91 91 GLN CA C 90 59.100 59.638 -0.538 1
1 1068 . 4 1 1 A 91 91 GLN CB C 90 27.800 28.080 -0.280 1
1 1070 . 4 1 1 A 91 91 GLN N N 90 117.100 119.663 -2.563 1
1 1072 . 4 1 1 A 92 92 GLY H H 91 8.080 8.295 -0.215 1
1 1073 . 4 1 1 A 92 92 GLY HA2 H 91 3.890 3.614 0.276 1
1 1074 . 4 1 1 A 92 92 GLY HA3 H 91 3.890 3.618 0.272 1
1 1075 . 4 1 1 A 92 92 GLY C C 91 176.600 175.909 0.691 1
1 1076 . 4 1 1 A 92 92 GLY CA C 91 46.900 47.468 -0.568 1
1 1077 . 4 1 1 A 92 92 GLY N N 91 109.400 107.197 2.203 1
1 1078 . 4 1 1 A 93 93 LEU H H 92 8.610 7.947 0.663 1
1 1079 . 4 1 1 A 93 93 LEU HA H 92 4.000 4.201 -0.201 1
1 1089 . 4 1 1 A 93 93 LEU C C 92 178.000 178.415 -0.415 1
1 1090 . 4 1 1 A 93 93 LEU CA C 92 57.500 57.148 0.352 1
1 1091 . 4 1 1 A 93 93 LEU CB C 92 41.800 41.441 0.359 1
1 1095 . 4 1 1 A 93 93 LEU N N 92 123.700 122.417 1.283 1
1 1096 . 4 1 1 A 94 94 ILE H H 93 7.970 8.319 -0.349 1
1 1097 . 4 1 1 A 94 94 ILE HA H 93 3.640 3.476 0.164 1
1 1107 . 4 1 1 A 94 94 ILE C C 93 178.500 177.890 0.610 1
1 1108 . 4 1 1 A 94 94 ILE CA C 93 64.800 65.496 -0.696 1
1 1109 . 4 1 1 A 94 94 ILE CB C 93 37.100 37.638 -0.538 1
1 1113 . 4 1 1 A 94 94 ILE N N 93 119.900 119.395 0.505 1
1 1114 . 4 1 1 A 95 95 GLU H H 94 7.610 7.983 -0.373 1
1 1115 . 4 1 1 A 95 95 GLU HA H 94 4.090 3.977 0.113 1
1 1120 . 4 1 1 A 95 95 GLU C C 94 179.400 180.034 -0.634 1
1 1121 . 4 1 1 A 95 95 GLU CA C 94 59.200 59.167 0.033 1
1 1122 . 4 1 1 A 95 95 GLU CB C 94 28.800 29.707 -0.907 1
1 1124 . 4 1 1 A 95 95 GLU N N 94 118.800 118.804 -0.004 1
1 1125 . 4 1 1 A 96 96 ILE H H 95 7.840 7.677 0.163 1
1 1126 . 4 1 1 A 96 96 ILE HA H 95 3.520 3.583 -0.063 1
1 1136 . 4 1 1 A 96 96 ILE C C 95 177.500 178.069 -0.569 1
1 1137 . 4 1 1 A 96 96 ILE CA C 95 65.500 64.791 0.709 1
1 1138 . 4 1 1 A 96 96 ILE CB C 95 37.900 37.564 0.336 1
1 1142 . 4 1 1 A 96 96 ILE N N 95 121.600 120.788 0.812 1
1 1143 . 4 1 1 A 97 97 LEU H H 96 8.620 8.472 0.148 1
1 1144 . 4 1 1 A 97 97 LEU HA H 96 3.800 3.988 -0.188 1
1 1151 . 4 1 1 A 97 97 LEU C C 96 179.400 178.594 0.806 1
1 1152 . 4 1 1 A 97 97 LEU CA C 96 58.600 58.241 0.359 1
1 1153 . 4 1 1 A 97 97 LEU CB C 96 41.500 41.658 -0.158 1
1 1156 . 4 1 1 A 97 97 LEU N N 96 120.400 121.682 -1.282 1
1 1157 . 4 1 1 A 98 98 LYS H H 97 7.750 8.309 -0.559 1
1 1158 . 4 1 1 A 98 98 LYS HA H 97 3.990 3.811 0.179 1
1 1167 . 4 1 1 A 98 98 LYS C C 97 178.600 179.479 -0.879 1
1 1168 . 4 1 1 A 98 98 LYS CA C 97 59.400 60.351 -0.951 1
1 1169 . 4 1 1 A 98 98 LYS CB C 97 32.300 32.251 0.049 1
1 1172 . 4 1 1 A 98 98 LYS N N 97 119.000 119.598 -0.598 1
1 1173 . 4 1 1 A 99 99 LYS H H 98 7.710 7.654 0.056 1
1 1174 . 4 1 1 A 99 99 LYS HA H 98 4.110 3.903 0.207 1
1 1183 . 4 1 1 A 99 99 LYS C C 98 179.100 179.485 -0.385 1
1 1184 . 4 1 1 A 99 99 LYS CA C 98 59.100 59.342 -0.242 1
1 1185 . 4 1 1 A 99 99 LYS CB C 98 32.500 32.169 0.331 1
1 1189 . 4 1 1 A 99 99 LYS N N 98 119.500 119.679 -0.179 1
1 1190 . 4 1 1 A 100 100 VAL H H 99 8.210 7.572 0.638 1
1 1191 . 4 1 1 A 100 100 VAL HA H 99 3.920 3.871 0.049 1
1 1196 . 4 1 1 A 100 100 VAL C C 99 177.600 177.921 -0.321 1
1 1197 . 4 1 1 A 100 100 VAL CA C 99 64.200 64.817 -0.617 1
1 1198 . 4 1 1 A 100 100 VAL CB C 99 31.500 31.257 0.243 1
1 1200 . 4 1 1 A 100 100 VAL N N 99 115.800 114.802 0.998 1
1 1201 . 4 1 1 A 101 101 SER H H 100 7.900 8.242 -0.342 1
1 1202 . 4 1 1 A 101 101 SER HA H 100 4.340 4.284 0.056 1
1 1205 . 4 1 1 A 101 101 SER C C 100 174.600 176.381 -1.781 1
1 1206 . 4 1 1 A 101 101 SER CA C 100 60.400 61.298 -0.898 1
1 1207 . 4 1 1 A 101 101 SER CB C 100 63.600 63.161 0.439 1
1 1208 . 4 1 1 A 101 101 SER N N 100 116.500 117.675 -1.175 1
1 1209 . 4 1 1 A 102 102 GLN H H 101 7.860 7.872 -0.012 1
1 1210 . 4 1 1 A 102 102 GLN HA H 101 4.280 4.060 0.220 1
1 1215 . 4 1 1 A 102 102 GLN C C 101 176.400 177.323 -0.923 1
1 1216 . 4 1 1 A 102 102 GLN CA C 101 56.800 58.676 -1.876 1
1 1217 . 4 1 1 A 102 102 GLN CB C 101 28.900 29.409 -0.509 1
1 1219 . 4 1 1 A 102 102 GLN N N 101 120.100 120.585 -0.485 1
1 1220 . 4 1 1 A 103 103 GLN H H 102 8.080 8.566 -0.486 1
1 1221 . 4 1 1 A 103 103 GLN HA H 102 4.360 4.530 -0.170 1
1 1226 . 4 1 1 A 103 103 GLN C C 102 176.500 176.692 -0.192 1
1 1227 . 4 1 1 A 103 103 GLN CA C 102 56.700 56.795 -0.095 1
1 1228 . 4 1 1 A 103 103 GLN CB C 102 29.000 31.291 -2.291 1
1 1230 . 4 1 1 A 103 103 GLN N N 102 119.700 116.188 3.512 1
1 1231 . 4 1 1 A 104 104 THR H H 103 8.070 7.563 0.507 1
1 1232 . 4 1 1 A 104 104 THR HA H 103 4.350 4.428 -0.078 1
1 1237 . 4 1 1 A 104 104 THR C C 103 174.700 174.159 0.541 1
1 1238 . 4 1 1 A 104 104 THR CA C 103 62.500 63.296 -0.796 1
1 1239 . 4 1 1 A 104 104 THR CB C 103 69.800 71.401 -1.601 1
1 1241 . 4 1 1 A 104 104 THR N N 103 113.900 107.257 6.643 1
1 1242 . 4 1 1 A 105 105 GLU H H 104 8.290 7.731 0.559 1
1 1243 . 4 1 1 A 105 105 GLU HA H 104 4.350 4.550 -0.200 1
1 1248 . 4 1 1 A 105 105 GLU C C 104 176.300 173.422 2.878 1
1 1249 . 4 1 1 A 105 105 GLU CA C 104 56.700 55.669 1.031 1
1 1250 . 4 1 1 A 105 105 GLU CB C 104 29.900 31.594 -1.694 1
1 1252 . 4 1 1 A 105 105 GLU N N 104 122.900 115.378 7.522 1
1 1253 . 4 1 1 A 106 106 LYS H H 105 8.320 8.604 -0.284 1
1 1254 . 4 1 1 A 106 106 LYS HA H 105 4.390 4.857 -0.467 1
1 1263 . 4 1 1 A 106 106 LYS C C 105 176.800 175.414 1.386 1
1 1264 . 4 1 1 A 106 106 LYS CA C 105 56.700 54.858 1.842 1
1 1265 . 4 1 1 A 106 106 LYS CB C 105 32.800 33.423 -0.623 1
1 1269 . 4 1 1 A 106 106 LYS N N 105 121.900 122.718 -0.818 1
1 1270 . 4 1 1 A 107 107 THR H H 106 8.150 8.665 -0.515 1
1 1271 . 4 1 1 A 107 107 THR HA H 106 4.430 4.190 0.240 1
1 1276 . 4 1 1 A 107 107 THR C C 106 174.600 174.140 0.460 1
1 1277 . 4 1 1 A 107 107 THR CA C 106 62.000 63.476 -1.476 1
1 1278 . 4 1 1 A 107 107 THR CB C 106 70.000 68.464 1.536 1
1 1280 . 4 1 1 A 107 107 THR N N 106 115.000 121.772 -6.772 1
1 1281 . 4 1 1 A 108 108 THR H H 107 8.190 8.774 -0.584 1
1 1282 . 4 1 1 A 108 108 THR HA H 107 4.440 4.652 -0.212 1
1 1287 . 4 1 1 A 108 108 THR C C 107 174.500 174.431 0.069 1
1 1288 . 4 1 1 A 108 108 THR CA C 107 62.000 60.998 1.002 1
1 1289 . 4 1 1 A 108 108 THR CB C 107 69.800 70.572 -0.772 1
1 1291 . 4 1 1 A 108 108 THR N N 107 116.500 121.566 -5.066 1
1 1292 . 4 1 1 A 109 109 THR H H 108 8.170 8.426 -0.256 1
1 1293 . 4 1 1 A 109 109 THR HA H 108 4.350 3.822 0.528 1
1 1298 . 4 1 1 A 109 109 THR C C 108 174.200 174.128 0.072 1
1 1299 . 4 1 1 A 109 109 THR CA C 108 62.000 62.333 -0.333 1
1 1300 . 4 1 1 A 109 109 THR CB C 108 69.800 66.638 3.162 1
1 1302 . 4 1 1 A 109 109 THR N N 108 117.200 119.729 -2.529 1
1 1303 . 4 1 1 A 110 110 VAL H H 109 8.100 7.811 0.289 1
1 1304 . 4 1 1 A 110 110 VAL HA H 109 4.040 4.003 0.037 1
1 1312 . 4 1 1 A 110 110 VAL C C 109 175.200 175.901 -0.701 1
1 1313 . 4 1 1 A 110 110 VAL CA C 109 62.300 63.359 -1.059 1
1 1314 . 4 1 1 A 110 110 VAL CB C 109 32.600 34.175 -1.575 1
1 1316 . 4 1 1 A 110 110 VAL N N 109 123.100 117.841 5.259 1
1 1317 . 4 1 1 A 111 111 LYS H H 110 8.200 7.449 0.751 1
1 1318 . 4 1 1 A 111 111 LYS HA H 110 4.310 4.305 0.005 1
1 1327 . 4 1 1 A 111 111 LYS C C 110 175.700 175.948 -0.248 1
1 1328 . 4 1 1 A 111 111 LYS CA C 110 55.700 55.140 0.560 1
1 1329 . 4 1 1 A 111 111 LYS CB C 110 33.300 32.324 0.976 1
1 1333 . 4 1 1 A 111 111 LYS N N 110 125.200 120.652 4.548 1
1 1334 . 4 1 1 A 112 112 PHE H H 111 8.310 8.196 0.114 1
1 1335 . 4 1 1 A 112 112 PHE HA H 111 4.650 4.461 0.189 1
1 1338 . 4 1 1 A 112 112 PHE C C 111 174.500 177.491 -2.991 1
1 1339 . 4 1 1 A 112 112 PHE CA C 111 57.500 59.405 -1.905 1
1 1340 . 4 1 1 A 112 112 PHE CB C 111 39.700 40.228 -0.528 1
1 1341 . 4 1 1 A 112 112 PHE N N 111 122.100 124.588 -2.488 1
1 1 . 5 1 1 A 2 2 SER H H 1 8.780 9.210 -0.430 1
1 2 . 5 1 1 A 2 2 SER HA H 1 4.480 4.509 -0.029 1
1 5 . 5 1 1 A 2 2 SER C C 1 175.000 175.881 -0.881 1
1 6 . 5 1 1 A 2 2 SER CA C 1 59.100 57.945 1.155 1
1 7 . 5 1 1 A 2 2 SER CB C 1 63.900 64.280 -0.380 1
1 8 . 5 1 1 A 2 2 SER N N 1 116.600 118.361 -1.761 1
1 9 . 5 1 1 A 3 3 ALA H H 2 8.710 9.015 -0.305 1
1 10 . 5 1 1 A 3 3 ALA HA H 2 4.310 3.985 0.325 1
1 14 . 5 1 1 A 3 3 ALA C C 2 178.800 179.495 -0.695 1
1 15 . 5 1 1 A 3 3 ALA CA C 2 53.800 55.354 -1.554 1
1 16 . 5 1 1 A 3 3 ALA CB C 2 18.500 18.348 0.152 1
1 17 . 5 1 1 A 3 3 ALA N N 2 125.500 125.368 0.132 1
1 18 . 5 1 1 A 4 4 ASP H H 3 8.190 8.193 -0.003 1
1 19 . 5 1 1 A 4 4 ASP HA H 3 4.500 4.324 0.176 1
1 22 . 5 1 1 A 4 4 ASP C C 3 177.700 178.342 -0.642 1
1 23 . 5 1 1 A 4 4 ASP CA C 3 55.900 57.517 -1.617 1
1 24 . 5 1 1 A 4 4 ASP CB C 3 40.500 41.205 -0.705 1
1 25 . 5 1 1 A 4 4 ASP N N 3 117.800 118.505 -0.705 1
1 26 . 5 1 1 A 5 5 GLU H H 4 8.150 8.103 0.047 1
1 27 . 5 1 1 A 5 5 GLU HA H 4 4.140 4.000 0.140 1
1 32 . 5 1 1 A 5 5 GLU C C 4 178.600 179.470 -0.870 1
1 33 . 5 1 1 A 5 5 GLU CA C 4 58.600 59.627 -1.027 1
1 34 . 5 1 1 A 5 5 GLU CB C 4 29.100 29.360 -0.260 1
1 36 . 5 1 1 A 5 5 GLU N N 4 120.800 118.233 2.567 1
1 37 . 5 1 1 A 6 6 GLU H H 5 8.250 7.955 0.295 1
1 38 . 5 1 1 A 6 6 GLU HA H 5 4.200 4.122 0.078 1
1 43 . 5 1 1 A 6 6 GLU C C 5 178.300 178.916 -0.616 1
1 44 . 5 1 1 A 6 6 GLU CA C 5 58.600 58.734 -0.134 1
1 45 . 5 1 1 A 6 6 GLU CB C 5 28.800 29.748 -0.948 1
1 47 . 5 1 1 A 6 6 GLU N N 5 120.800 120.354 0.446 1
1 48 . 5 1 1 A 7 7 LEU H H 6 7.990 7.882 0.108 1
1 49 . 5 1 1 A 7 7 LEU HA H 6 4.170 4.071 0.099 1
1 58 . 5 1 1 A 7 7 LEU C C 6 179.500 178.367 1.133 1
1 59 . 5 1 1 A 7 7 LEU CA C 6 57.500 57.900 -0.400 1
1 60 . 5 1 1 A 7 7 LEU CB C 6 41.600 41.717 -0.117 1
1 64 . 5 1 1 A 7 7 LEU N N 6 120.900 121.566 -0.666 1
1 65 . 5 1 1 A 8 8 GLU H H 7 8.130 8.874 -0.744 1
1 66 . 5 1 1 A 8 8 GLU HA H 7 4.160 4.042 0.118 1
1 71 . 5 1 1 A 8 8 GLU C C 7 178.300 178.910 -0.610 1
1 72 . 5 1 1 A 8 8 GLU CA C 7 58.800 59.350 -0.550 1
1 73 . 5 1 1 A 8 8 GLU CB C 7 28.800 29.133 -0.333 1
1 75 . 5 1 1 A 8 8 GLU N N 7 120.100 117.311 2.789 1
1 76 . 5 1 1 A 9 9 ALA H H 8 8.030 7.854 0.176 1
1 77 . 5 1 1 A 9 9 ALA HA H 8 4.090 4.135 -0.045 1
1 81 . 5 1 1 A 9 9 ALA C C 8 180.500 179.797 0.703 1
1 82 . 5 1 1 A 9 9 ALA CA C 8 55.100 55.060 0.040 1
1 83 . 5 1 1 A 9 9 ALA CB C 8 17.900 18.055 -0.155 1
1 84 . 5 1 1 A 9 9 ALA N N 8 122.100 122.469 -0.369 1
1 85 . 5 1 1 A 10 10 LEU H H 9 7.890 7.984 -0.094 1
1 86 . 5 1 1 A 10 10 LEU HA H 9 4.160 4.111 0.049 1
1 95 . 5 1 1 A 10 10 LEU C C 9 179.200 178.359 0.841 1
1 96 . 5 1 1 A 10 10 LEU CA C 9 57.500 57.807 -0.307 1
1 97 . 5 1 1 A 10 10 LEU CB C 9 41.800 41.794 0.006 1
1 101 . 5 1 1 A 10 10 LEU N N 9 119.500 120.338 -0.838 1
1 102 . 5 1 1 A 11 11 ARG H H 10 8.080 8.467 -0.387 1
1 103 . 5 1 1 A 11 11 ARG HA H 10 4.010 3.855 0.155 1
1 110 . 5 1 1 A 11 11 ARG C C 10 178.900 178.584 0.316 1
1 111 . 5 1 1 A 11 11 ARG CA C 10 59.400 59.859 -0.459 1
1 112 . 5 1 1 A 11 11 ARG CB C 10 30.100 29.921 0.179 1
1 115 . 5 1 1 A 11 11 ARG N N 10 120.400 119.178 1.222 1
1 116 . 5 1 1 A 12 12 ARG H H 11 8.170 8.504 -0.334 1
1 117 . 5 1 1 A 12 12 ARG HA H 11 4.040 4.001 0.039 1
1 124 . 5 1 1 A 12 12 ARG C C 11 178.900 178.745 0.155 1
1 125 . 5 1 1 A 12 12 ARG CA C 11 59.300 59.549 -0.249 1
1 126 . 5 1 1 A 12 12 ARG CB C 11 30.000 30.238 -0.238 1
1 129 . 5 1 1 A 12 12 ARG N N 11 118.400 119.495 -1.095 1
1 130 . 5 1 1 A 13 13 GLN H H 12 8.060 7.858 0.202 1
1 131 . 5 1 1 A 13 13 GLN HA H 12 4.150 4.075 0.075 1
1 136 . 5 1 1 A 13 13 GLN C C 12 177.900 178.476 -0.576 1
1 137 . 5 1 1 A 13 13 GLN CA C 12 58.600 59.114 -0.514 1
1 138 . 5 1 1 A 13 13 GLN CB C 12 28.500 28.345 0.155 1
1 140 . 5 1 1 A 13 13 GLN N N 12 120.400 118.535 1.865 1
1 141 . 5 1 1 A 14 14 ARG H H 13 8.180 7.613 0.567 1
1 142 . 5 1 1 A 14 14 ARG HA H 13 4.160 4.034 0.126 1
1 149 . 5 1 1 A 14 14 ARG C C 13 178.600 179.191 -0.591 1
1 150 . 5 1 1 A 14 14 ARG CA C 13 58.600 58.791 -0.191 1
1 151 . 5 1 1 A 14 14 ARG CB C 13 29.900 30.117 -0.217 1
1 154 . 5 1 1 A 14 14 ARG N N 13 119.900 119.296 0.604 1
1 155 . 5 1 1 A 15 15 LEU H H 14 7.980 8.419 -0.439 1
1 156 . 5 1 1 A 15 15 LEU HA H 14 4.180 4.087 0.093 1
1 165 . 5 1 1 A 15 15 LEU C C 14 178.800 179.324 -0.524 1
1 166 . 5 1 1 A 15 15 LEU CA C 14 57.300 57.546 -0.246 1
1 167 . 5 1 1 A 15 15 LEU CB C 14 41.700 40.868 0.832 1
1 171 . 5 1 1 A 15 15 LEU N N 14 119.900 119.936 -0.036 1
1 172 . 5 1 1 A 16 16 ALA H H 15 7.930 8.453 -0.523 1
1 173 . 5 1 1 A 16 16 ALA HA H 15 4.190 4.051 0.139 1
1 177 . 5 1 1 A 16 16 ALA C C 15 180.100 179.701 0.399 1
1 178 . 5 1 1 A 16 16 ALA CA C 15 54.500 55.372 -0.872 1
1 179 . 5 1 1 A 16 16 ALA CB C 15 18.000 18.155 -0.155 1
1 180 . 5 1 1 A 16 16 ALA N N 15 122.000 122.564 -0.564 1
1 181 . 5 1 1 A 17 17 GLU H H 16 8.010 7.741 0.269 1
1 182 . 5 1 1 A 17 17 GLU HA H 16 4.160 4.016 0.144 1
1 187 . 5 1 1 A 17 17 GLU C C 16 178.100 179.629 -1.529 1
1 188 . 5 1 1 A 17 17 GLU CA C 16 58.100 58.907 -0.807 1
1 189 . 5 1 1 A 17 17 GLU CB C 16 28.900 29.486 -0.586 1
1 191 . 5 1 1 A 17 17 GLU N N 16 118.500 118.467 0.033 1
1 192 . 5 1 1 A 18 18 LEU H H 17 7.890 7.788 0.102 1
1 193 . 5 1 1 A 18 18 LEU HA H 17 4.200 4.277 -0.077 1
1 203 . 5 1 1 A 18 18 LEU C C 17 178.700 176.412 2.288 1
1 204 . 5 1 1 A 18 18 LEU CA C 17 56.900 56.701 0.199 1
1 205 . 5 1 1 A 18 18 LEU CB C 17 42.100 42.913 -0.813 1
1 209 . 5 1 1 A 18 18 LEU N N 17 120.400 120.940 -0.540 1
1 210 . 5 1 1 A 19 19 GLN H H 18 8.020 7.666 0.354 1
1 211 . 5 1 1 A 19 19 GLN HA H 18 4.200 3.961 0.239 1
1 216 . 5 1 1 A 19 19 GLN C C 18 176.700 174.530 2.170 1
1 217 . 5 1 1 A 19 19 GLN CA C 18 56.900 57.068 -0.168 1
1 218 . 5 1 1 A 19 19 GLN CB C 18 28.800 26.213 2.587 1
1 220 . 5 1 1 A 19 19 GLN N N 18 118.500 117.304 1.196 1
1 221 . 5 1 1 A 20 20 ALA H H 19 7.850 8.147 -0.297 1
1 222 . 5 1 1 A 20 20 ALA HA H 19 4.240 4.632 -0.392 1
1 226 . 5 1 1 A 20 20 ALA C C 19 178.000 176.684 1.316 1
1 227 . 5 1 1 A 20 20 ALA CA C 19 53.100 51.512 1.588 1
1 228 . 5 1 1 A 20 20 ALA CB C 19 18.700 20.942 -2.242 1
1 229 . 5 1 1 A 20 20 ALA N N 19 122.700 120.432 2.268 1
1 230 . 5 1 1 A 21 21 LYS H H 20 7.950 8.688 -0.738 1
1 231 . 5 1 1 A 21 21 LYS HA H 20 4.260 4.120 0.140 1
1 238 . 5 1 1 A 21 21 LYS C C 20 176.600 177.223 -0.623 1
1 239 . 5 1 1 A 21 21 LYS CA C 20 56.500 57.151 -0.651 1
1 240 . 5 1 1 A 21 21 LYS CB C 20 32.600 32.763 -0.163 1
1 244 . 5 1 1 A 21 21 LYS N N 20 118.800 121.861 -3.061 1
1 245 . 5 1 1 A 22 22 HIS H H 21 8.320 8.471 -0.151 1
1 246 . 5 1 1 A 22 22 HIS HA H 21 4.730 4.199 0.531 1
1 249 . 5 1 1 A 22 22 HIS C C 21 174.800 175.627 -0.827 1
1 250 . 5 1 1 A 22 22 HIS CA C 21 55.400 57.503 -2.103 1
1 251 . 5 1 1 A 22 22 HIS CB C 21 28.800 27.462 1.338 1
1 252 . 5 1 1 A 22 22 HIS N N 21 118.600 118.701 -0.101 1
1 253 . 5 1 1 A 23 23 GLY H H 22 8.360 8.207 0.153 1
1 254 . 5 1 1 A 23 23 GLY HA2 H 22 3.960 3.936 0.024 1
1 255 . 5 1 1 A 23 23 GLY HA3 H 22 3.960 3.944 0.016 1
1 256 . 5 1 1 A 23 23 GLY C C 22 173.200 173.717 -0.517 1
1 257 . 5 1 1 A 23 23 GLY CA C 22 45.000 45.817 -0.817 1
1 258 . 5 1 1 A 23 23 GLY N N 22 109.600 106.533 3.067 1
1 259 . 5 1 1 A 24 24 ASP H H 23 8.320 7.969 0.351 1
1 260 . 5 1 1 A 24 24 ASP HA H 23 4.940 4.919 0.021 1
1 263 . 5 1 1 A 24 24 ASP C C 23 174.900 176.349 -1.449 1
1 264 . 5 1 1 A 24 24 ASP CA C 23 52.200 52.370 -0.170 1
1 265 . 5 1 1 A 24 24 ASP CB C 23 41.300 40.420 0.880 1
1 266 . 5 1 1 A 24 24 ASP N N 23 121.600 118.613 2.987 1
1 267 . 5 1 1 A 25 25 PRO HA H 24 4.430 4.651 -0.221 1
1 274 . 5 1 1 A 25 25 PRO C C 24 177.800 177.442 0.358 1
1 275 . 5 1 1 A 25 25 PRO CA C 24 64.100 63.784 0.316 1
1 276 . 5 1 1 A 25 25 PRO CB C 24 31.900 32.895 -0.995 1
1 279 . 5 1 1 A 26 26 GLY H H 25 8.520 8.266 0.254 1
1 280 . 5 1 1 A 26 26 GLY HA2 H 25 3.940 3.790 0.150 1
1 281 . 5 1 1 A 26 26 GLY HA3 H 25 3.940 3.801 0.139 1
1 282 . 5 1 1 A 26 26 GLY C C 25 174.400 175.201 -0.801 1
1 283 . 5 1 1 A 26 26 GLY CA C 25 45.500 47.163 -1.663 1
1 284 . 5 1 1 A 26 26 GLY N N 25 108.300 107.982 0.318 1
1 285 . 5 1 1 A 27 27 ASP H H 26 8.100 8.120 -0.020 1
1 286 . 5 1 1 A 27 27 ASP HA H 26 4.610 4.360 0.250 1
1 289 . 5 1 1 A 27 27 ASP C C 26 176.900 178.218 -1.318 1
1 290 . 5 1 1 A 27 27 ASP CA C 26 54.800 57.098 -2.298 1
1 291 . 5 1 1 A 27 27 ASP CB C 26 40.800 40.680 0.120 1
1 292 . 5 1 1 A 27 27 ASP N N 26 120.700 121.215 -0.515 1
1 293 . 5 1 1 A 28 28 ALA H H 27 8.320 8.100 0.220 1
1 294 . 5 1 1 A 28 28 ALA HA H 27 4.180 4.051 0.129 1
1 298 . 5 1 1 A 28 28 ALA C C 27 179.300 179.566 -0.266 1
1 299 . 5 1 1 A 28 28 ALA CA C 27 54.600 54.898 -0.298 1
1 300 . 5 1 1 A 28 28 ALA CB C 27 18.400 17.961 0.439 1
1 301 . 5 1 1 A 28 28 ALA N N 27 124.100 122.398 1.702 1
1 302 . 5 1 1 A 29 29 ALA H H 28 8.250 7.867 0.383 1
1 303 . 5 1 1 A 29 29 ALA HA H 28 4.230 4.078 0.152 1
1 307 . 5 1 1 A 29 29 ALA C C 28 180.000 179.394 0.606 1
1 308 . 5 1 1 A 29 29 ALA CA C 28 54.300 55.144 -0.844 1
1 309 . 5 1 1 A 29 29 ALA CB C 28 18.200 18.541 -0.341 1
1 310 . 5 1 1 A 29 29 ALA N N 28 121.200 120.617 0.583 1
1 311 . 5 1 1 A 30 30 GLN H H 29 8.120 8.555 -0.435 1
1 312 . 5 1 1 A 30 30 GLN HA H 29 4.230 4.003 0.227 1
1 317 . 5 1 1 A 30 30 GLN C C 29 177.900 177.932 -0.032 1
1 318 . 5 1 1 A 30 30 GLN CA C 29 57.800 58.397 -0.597 1
1 319 . 5 1 1 A 30 30 GLN CB C 29 28.600 28.088 0.512 1
1 321 . 5 1 1 A 30 30 GLN N N 29 118.800 116.462 2.338 1
1 322 . 5 1 1 A 31 31 GLN H H 30 8.240 7.946 0.294 1
1 323 . 5 1 1 A 31 31 GLN HA H 30 4.120 4.089 0.031 1
1 328 . 5 1 1 A 31 31 GLN C C 30 178.100 178.356 -0.256 1
1 329 . 5 1 1 A 31 31 GLN CA C 30 58.000 58.947 -0.947 1
1 330 . 5 1 1 A 31 31 GLN CB C 30 28.500 28.249 0.251 1
1 332 . 5 1 1 A 31 31 GLN N N 30 119.600 118.993 0.607 1
1 333 . 5 1 1 A 32 32 GLU H H 31 8.300 8.119 0.181 1
1 334 . 5 1 1 A 32 32 GLU HA H 31 4.190 4.113 0.077 1
1 339 . 5 1 1 A 32 32 GLU C C 31 178.100 178.295 -0.195 1
1 340 . 5 1 1 A 32 32 GLU CA C 31 58.600 59.424 -0.824 1
1 341 . 5 1 1 A 32 32 GLU CB C 31 28.800 29.511 -0.711 1
1 343 . 5 1 1 A 32 32 GLU N N 31 120.800 120.081 0.719 1
1 344 . 5 1 1 A 33 33 ALA H H 32 8.070 8.855 -0.785 1
1 345 . 5 1 1 A 33 33 ALA HA H 32 4.160 4.080 0.080 1
1 349 . 5 1 1 A 33 33 ALA C C 32 179.900 179.284 0.616 1
1 350 . 5 1 1 A 33 33 ALA CA C 32 54.900 54.979 -0.079 1
1 351 . 5 1 1 A 33 33 ALA CB C 32 18.200 18.346 -0.146 1
1 352 . 5 1 1 A 33 33 ALA N N 32 123.000 122.277 0.723 1
1 353 . 5 1 1 A 34 34 LYS H H 33 8.050 8.287 -0.237 1
1 354 . 5 1 1 A 34 34 LYS HA H 33 4.150 4.083 0.067 1
1 363 . 5 1 1 A 34 34 LYS C C 33 178.900 179.165 -0.265 1
1 364 . 5 1 1 A 34 34 LYS CA C 33 58.600 59.232 -0.632 1
1 365 . 5 1 1 A 34 34 LYS CB C 33 32.300 32.178 0.122 1
1 369 . 5 1 1 A 34 34 LYS N N 33 118.600 118.943 -0.343 1
1 370 . 5 1 1 A 35 35 HIS H H 34 8.240 8.084 0.156 1
1 371 . 5 1 1 A 35 35 HIS HA H 34 4.580 4.181 0.399 1
1 374 . 5 1 1 A 35 35 HIS C C 34 176.300 177.470 -1.170 1
1 375 . 5 1 1 A 35 35 HIS CA C 34 57.800 59.804 -2.004 1
1 376 . 5 1 1 A 35 35 HIS CB C 34 28.300 29.721 -1.421 1
1 377 . 5 1 1 A 35 35 HIS N N 34 119.100 119.655 -0.555 1
1 378 . 5 1 1 A 36 36 ARG H H 35 8.390 8.219 0.171 1
1 379 . 5 1 1 A 36 36 ARG HA H 35 4.160 3.915 0.245 1
1 386 . 5 1 1 A 36 36 ARG C C 35 178.500 178.944 -0.444 1
1 387 . 5 1 1 A 36 36 ARG CA C 35 58.800 58.690 0.110 1
1 388 . 5 1 1 A 36 36 ARG CB C 35 29.200 29.397 -0.197 1
1 391 . 5 1 1 A 36 36 ARG N N 35 120.600 118.939 1.661 1
1 392 . 5 1 1 A 37 37 GLU H H 36 8.240 8.318 -0.078 1
1 393 . 5 1 1 A 37 37 GLU HA H 36 4.080 3.988 0.092 1
1 398 . 5 1 1 A 37 37 GLU C C 36 178.200 179.065 -0.865 1
1 399 . 5 1 1 A 37 37 GLU CA C 36 59.100 59.126 -0.026 1
1 400 . 5 1 1 A 37 37 GLU CB C 36 29.100 29.564 -0.464 1
1 402 . 5 1 1 A 37 37 GLU N N 36 120.400 119.851 0.549 1
1 403 . 5 1 1 A 38 38 ALA H H 37 7.980 8.296 -0.316 1
1 404 . 5 1 1 A 38 38 ALA HA H 37 4.100 3.979 0.121 1
1 408 . 5 1 1 A 38 38 ALA C C 37 179.800 179.879 -0.079 1
1 409 . 5 1 1 A 38 38 ALA CA C 37 55.100 54.710 0.390 1
1 410 . 5 1 1 A 38 38 ALA CB C 37 18.000 18.034 -0.034 1
1 411 . 5 1 1 A 38 38 ALA N N 37 122.000 122.633 -0.633 1
1 412 . 5 1 1 A 39 39 GLU H H 38 8.050 7.342 0.708 1
1 413 . 5 1 1 A 39 39 GLU HA H 38 4.120 4.063 0.057 1
1 418 . 5 1 1 A 39 39 GLU C C 38 179.000 178.631 0.369 1
1 419 . 5 1 1 A 39 39 GLU CA C 38 58.800 59.196 -0.396 1
1 420 . 5 1 1 A 39 39 GLU CB C 38 29.100 30.147 -1.047 1
1 422 . 5 1 1 A 39 39 GLU N N 38 118.200 118.350 -0.150 1
1 423 . 5 1 1 A 40 40 MET H H 39 8.130 8.216 -0.086 1
1 424 . 5 1 1 A 40 40 MET HA H 39 4.200 4.323 -0.123 1
1 429 . 5 1 1 A 40 40 MET C C 39 178.200 178.348 -0.148 1
1 430 . 5 1 1 A 40 40 MET CA C 39 58.100 58.116 -0.016 1
1 431 . 5 1 1 A 40 40 MET CB C 39 32.300 33.109 -0.809 1
1 433 . 5 1 1 A 40 40 MET N N 39 120.300 119.167 1.133 1
1 434 . 5 1 1 A 41 41 ARG HA H 40 3.890 4.054 -0.164 1
1 441 . 5 1 1 A 41 41 ARG C C 40 177.700 178.890 -1.190 1
1 442 . 5 1 1 A 41 41 ARG CA C 40 59.500 58.988 0.512 1
1 443 . 5 1 1 A 41 41 ARG CB C 40 30.300 29.607 0.693 1
1 444 . 5 1 1 A 42 42 ASN H H 41 8.190 7.889 0.301 1
1 445 . 5 1 1 A 42 42 ASN HA H 41 4.440 4.501 -0.061 1
1 450 . 5 1 1 A 42 42 ASN C C 41 177.700 177.600 0.100 1
1 451 . 5 1 1 A 42 42 ASN CA C 41 55.900 56.172 -0.272 1
1 452 . 5 1 1 A 42 42 ASN CB C 41 38.100 39.612 -1.512 1
1 453 . 5 1 1 A 42 42 ASN N N 41 116.300 118.542 -2.242 1
1 455 . 5 1 1 A 43 43 SER H H 42 8.130 7.783 0.347 1
1 456 . 5 1 1 A 43 43 SER HA H 42 4.300 4.095 0.205 1
1 459 . 5 1 1 A 43 43 SER C C 42 176.600 176.916 -0.316 1
1 460 . 5 1 1 A 43 43 SER CA C 42 61.200 62.404 -1.204 1
1 461 . 5 1 1 A 43 43 SER CB C 42 63.100 62.754 0.346 1
1 462 . 5 1 1 A 43 43 SER N N 42 116.300 115.940 0.360 1
1 463 . 5 1 1 A 44 44 ILE H H 43 7.940 7.574 0.366 1
1 464 . 5 1 1 A 44 44 ILE HA H 43 3.860 3.799 0.061 1
1 474 . 5 1 1 A 44 44 ILE C C 43 178.400 178.314 0.086 1
1 475 . 5 1 1 A 44 44 ILE CA C 43 64.500 64.467 0.033 1
1 476 . 5 1 1 A 44 44 ILE CB C 43 37.900 37.527 0.373 1
1 480 . 5 1 1 A 44 44 ILE N N 43 122.500 119.185 3.315 1
1 481 . 5 1 1 A 45 45 LEU H H 44 8.070 7.832 0.238 1
1 482 . 5 1 1 A 45 45 LEU HA H 44 3.940 4.026 -0.086 1
1 492 . 5 1 1 A 45 45 LEU C C 44 178.200 179.659 -1.459 1
1 493 . 5 1 1 A 45 45 LEU CA C 44 58.100 57.690 0.410 1
1 494 . 5 1 1 A 45 45 LEU CB C 44 41.100 40.607 0.493 1
1 498 . 5 1 1 A 45 45 LEU N N 44 119.100 122.170 -3.070 1
1 499 . 5 1 1 A 46 46 ALA H H 45 7.760 8.137 -0.377 1
1 500 . 5 1 1 A 46 46 ALA HA H 45 4.100 4.053 0.047 1
1 504 . 5 1 1 A 46 46 ALA C C 45 178.700 179.069 -0.369 1
1 505 . 5 1 1 A 46 46 ALA CA C 45 54.100 54.948 -0.848 1
1 506 . 5 1 1 A 46 46 ALA CB C 45 18.100 18.359 -0.259 1
1 507 . 5 1 1 A 46 46 ALA N N 45 117.600 121.972 -4.372 1
1 508 . 5 1 1 A 47 47 GLN H H 46 7.570 8.036 -0.466 1
1 509 . 5 1 1 A 47 47 GLN HA H 46 4.270 4.247 0.023 1
1 514 . 5 1 1 A 47 47 GLN C C 46 177.800 177.941 -0.141 1
1 515 . 5 1 1 A 47 47 GLN CA C 46 57.300 57.412 -0.112 1
1 516 . 5 1 1 A 47 47 GLN CB C 46 29.500 29.218 0.282 1
1 518 . 5 1 1 A 47 47 GLN N N 46 114.300 115.097 -0.797 1
1 519 . 5 1 1 A 48 48 VAL H H 47 7.690 8.037 -0.347 1
1 520 . 5 1 1 A 48 48 VAL HA H 47 4.380 3.931 0.449 1
1 528 . 5 1 1 A 48 48 VAL C C 47 174.400 176.241 -1.841 1
1 529 . 5 1 1 A 48 48 VAL CA C 47 62.600 65.314 -2.714 1
1 530 . 5 1 1 A 48 48 VAL CB C 47 32.800 32.480 0.320 1
1 533 . 5 1 1 A 48 48 VAL N N 47 111.900 119.305 -7.405 1
1 534 . 5 1 1 A 49 49 LEU H H 48 7.480 7.399 0.081 1
1 535 . 5 1 1 A 49 49 LEU HA H 48 4.910 4.332 0.578 1
1 545 . 5 1 1 A 49 49 LEU C C 48 177.000 176.081 0.919 1
1 546 . 5 1 1 A 49 49 LEU CA C 48 53.700 54.100 -0.400 1
1 547 . 5 1 1 A 49 49 LEU CB C 48 44.500 42.908 1.592 1
1 551 . 5 1 1 A 49 49 LEU N N 48 119.600 118.908 0.692 1
1 552 . 5 1 1 A 50 50 ASP H H 49 8.430 8.984 -0.554 1
1 553 . 5 1 1 A 50 50 ASP HA H 49 4.630 4.465 0.165 1
1 556 . 5 1 1 A 50 50 ASP C C 49 176.000 177.465 -1.465 1
1 557 . 5 1 1 A 50 50 ASP CA C 49 53.000 54.791 -1.791 1
1 558 . 5 1 1 A 50 50 ASP CB C 49 40.200 42.832 -2.632 1
1 559 . 5 1 1 A 50 50 ASP N N 49 121.200 125.087 -3.887 1
1 560 . 5 1 1 A 51 51 GLN H H 50 8.580 9.091 -0.511 1
1 561 . 5 1 1 A 51 51 GLN HA H 50 3.950 3.959 -0.009 1
1 566 . 5 1 1 A 51 51 GLN C C 50 178.800 177.689 1.111 1
1 567 . 5 1 1 A 51 51 GLN CA C 50 60.200 59.064 1.136 1
1 568 . 5 1 1 A 51 51 GLN CB C 50 28.300 28.275 0.025 1
1 570 . 5 1 1 A 51 51 GLN N N 50 118.200 126.895 -8.695 1
1 571 . 5 1 1 A 52 52 SER H H 51 8.430 7.839 0.591 1
1 572 . 5 1 1 A 52 52 SER HA H 51 4.320 4.133 0.187 1
1 575 . 5 1 1 A 52 52 SER C C 51 177.200 176.317 0.883 1
1 576 . 5 1 1 A 52 52 SER CA C 51 61.500 61.723 -0.223 1
1 577 . 5 1 1 A 52 52 SER CB C 51 62.400 62.880 -0.480 1
1 578 . 5 1 1 A 52 52 SER N N 51 117.000 117.133 -0.133 1
1 579 . 5 1 1 A 53 53 ALA H H 52 8.760 7.877 0.883 1
1 580 . 5 1 1 A 53 53 ALA HA H 52 3.960 4.079 -0.119 1
1 584 . 5 1 1 A 53 53 ALA C C 52 178.900 179.697 -0.797 1
1 585 . 5 1 1 A 53 53 ALA CA C 52 55.400 54.808 0.592 1
1 586 . 5 1 1 A 53 53 ALA CB C 52 19.200 18.394 0.806 1
1 587 . 5 1 1 A 53 53 ALA N N 52 127.400 123.466 3.934 1
1 588 . 5 1 1 A 54 54 ARG H H 53 8.640 8.278 0.362 1
1 589 . 5 1 1 A 54 54 ARG HA H 53 3.880 4.053 -0.173 1
1 596 . 5 1 1 A 54 54 ARG C C 53 179.000 178.081 0.919 1
1 597 . 5 1 1 A 54 54 ARG CA C 53 59.700 59.500 0.200 1
1 598 . 5 1 1 A 54 54 ARG CB C 53 29.900 29.873 0.027 1
1 601 . 5 1 1 A 54 54 ARG N N 53 118.200 118.778 -0.578 1
1 602 . 5 1 1 A 55 55 ALA H H 54 7.960 8.486 -0.526 1
1 603 . 5 1 1 A 55 55 ALA HA H 54 4.190 4.014 0.176 1
1 607 . 5 1 1 A 55 55 ALA C C 54 180.100 179.189 0.911 1
1 608 . 5 1 1 A 55 55 ALA CA C 54 55.100 55.160 -0.060 1
1 609 . 5 1 1 A 55 55 ALA CB C 54 17.700 18.315 -0.615 1
1 610 . 5 1 1 A 55 55 ALA N N 54 122.200 122.547 -0.347 1
1 611 . 5 1 1 A 56 56 ARG H H 55 7.800 7.554 0.246 1
1 612 . 5 1 1 A 56 56 ARG HA H 55 4.160 4.131 0.029 1
1 619 . 5 1 1 A 56 56 ARG C C 55 178.900 178.233 0.667 1
1 620 . 5 1 1 A 56 56 ARG CA C 55 58.300 58.704 -0.404 1
1 621 . 5 1 1 A 56 56 ARG CB C 55 29.100 29.888 -0.788 1
1 624 . 5 1 1 A 56 56 ARG N N 55 119.100 119.012 0.088 1
1 625 . 5 1 1 A 57 57 LEU H H 56 8.390 7.996 0.394 1
1 626 . 5 1 1 A 57 57 LEU HA H 56 4.060 4.127 -0.067 1
1 635 . 5 1 1 A 57 57 LEU C C 56 178.100 178.909 -0.809 1
1 636 . 5 1 1 A 57 57 LEU CA C 56 57.800 57.456 0.344 1
1 637 . 5 1 1 A 57 57 LEU CB C 56 41.600 41.409 0.191 1
1 641 . 5 1 1 A 57 57 LEU N N 56 120.600 121.297 -0.697 1
1 642 . 5 1 1 A 58 58 SER H H 57 8.150 8.216 -0.066 1
1 643 . 5 1 1 A 58 58 SER HA H 57 4.210 4.184 0.026 1
1 646 . 5 1 1 A 58 58 SER C C 57 176.500 175.962 0.538 1
1 647 . 5 1 1 A 58 58 SER CA C 57 61.800 61.780 0.020 1
1 648 . 5 1 1 A 58 58 SER CB C 57 62.600 62.891 -0.291 1
1 649 . 5 1 1 A 58 58 SER N N 57 114.100 116.565 -2.465 1
1 650 . 5 1 1 A 59 59 ASN H H 58 7.700 7.997 -0.297 1
1 651 . 5 1 1 A 59 59 ASN HA H 58 4.580 4.484 0.096 1
1 656 . 5 1 1 A 59 59 ASN C C 58 178.000 177.420 0.580 1
1 657 . 5 1 1 A 59 59 ASN CA C 58 56.200 56.505 -0.305 1
1 658 . 5 1 1 A 59 59 ASN CB C 58 38.700 39.096 -0.396 1
1 659 . 5 1 1 A 59 59 ASN N N 58 119.500 120.136 -0.636 1
1 661 . 5 1 1 A 60 60 LEU H H 59 8.250 7.906 0.344 1
1 662 . 5 1 1 A 60 60 LEU HA H 59 4.070 4.078 -0.008 1
1 671 . 5 1 1 A 60 60 LEU C C 59 178.400 178.371 0.029 1
1 672 . 5 1 1 A 60 60 LEU CA C 59 57.500 57.721 -0.221 1
1 673 . 5 1 1 A 60 60 LEU CB C 59 42.100 41.470 0.630 1
1 677 . 5 1 1 A 60 60 LEU N N 59 123.000 120.556 2.444 1
1 678 . 5 1 1 A 61 61 ALA H H 60 8.070 8.186 -0.116 1
1 679 . 5 1 1 A 61 61 ALA HA H 60 3.910 4.202 -0.292 1
1 683 . 5 1 1 A 61 61 ALA C C 60 178.400 179.581 -1.181 1
1 684 . 5 1 1 A 61 61 ALA CA C 60 54.600 54.946 -0.346 1
1 685 . 5 1 1 A 61 61 ALA CB C 60 18.200 18.316 -0.116 1
1 686 . 5 1 1 A 61 61 ALA N N 60 120.700 120.346 0.354 1
1 687 . 5 1 1 A 62 62 LEU H H 61 7.170 7.687 -0.517 1
1 688 . 5 1 1 A 62 62 LEU HA H 61 4.200 4.058 0.142 1
1 695 . 5 1 1 A 62 62 LEU C C 61 178.300 178.288 0.012 1
1 696 . 5 1 1 A 62 62 LEU CA C 61 56.500 57.743 -1.243 1
1 697 . 5 1 1 A 62 62 LEU CB C 61 42.100 41.716 0.384 1
1 701 . 5 1 1 A 62 62 LEU N N 61 113.700 120.580 -6.880 1
1 702 . 5 1 1 A 63 63 VAL H H 62 7.330 7.096 0.234 1
1 703 . 5 1 1 A 63 63 VAL HA H 62 4.380 4.055 0.325 1
1 711 . 5 1 1 A 63 63 VAL C C 62 176.200 176.039 0.161 1
1 712 . 5 1 1 A 63 63 VAL CA C 62 62.800 64.427 -1.627 1
1 713 . 5 1 1 A 63 63 VAL CB C 62 33.900 32.083 1.817 1
1 716 . 5 1 1 A 63 63 VAL N N 62 112.500 113.332 -0.832 1
1 717 . 5 1 1 A 64 64 LYS H H 63 8.710 7.821 0.889 1
1 718 . 5 1 1 A 64 64 LYS HA H 63 5.000 4.754 0.246 1
1 727 . 5 1 1 A 64 64 LYS C C 63 174.200 175.288 -1.088 1
1 728 . 5 1 1 A 64 64 LYS CA C 63 53.600 54.349 -0.749 1
1 729 . 5 1 1 A 64 64 LYS CB C 63 33.400 34.198 -0.798 1
1 733 . 5 1 1 A 64 64 LYS N N 63 120.400 119.447 0.953 1
1 734 . 5 1 1 A 65 65 PRO HA H 64 4.360 4.787 -0.427 1
1 741 . 5 1 1 A 65 65 PRO C C 64 179.400 177.513 1.887 1
1 742 . 5 1 1 A 65 65 PRO CA C 64 66.000 64.355 1.645 1
1 743 . 5 1 1 A 65 65 PRO CB C 64 31.400 31.797 -0.397 1
1 746 . 5 1 1 A 66 66 GLU H H 65 8.920 8.479 0.441 1
1 747 . 5 1 1 A 66 66 GLU HA H 65 4.200 4.085 0.115 1
1 752 . 5 1 1 A 66 66 GLU C C 65 179.600 179.117 0.483 1
1 753 . 5 1 1 A 66 66 GLU CA C 65 59.400 59.188 0.212 1
1 754 . 5 1 1 A 66 66 GLU CB C 65 28.300 29.236 -0.936 1
1 756 . 5 1 1 A 66 66 GLU N N 65 118.700 117.568 1.132 1
1 757 . 5 1 1 A 67 67 LYS H H 66 8.000 7.494 0.506 1
1 758 . 5 1 1 A 67 67 LYS HA H 66 4.160 4.179 -0.019 1
1 767 . 5 1 1 A 67 67 LYS C C 66 178.400 179.040 -0.640 1
1 768 . 5 1 1 A 67 67 LYS CA C 66 58.500 58.804 -0.304 1
1 769 . 5 1 1 A 67 67 LYS CB C 66 32.300 32.130 0.170 1
1 773 . 5 1 1 A 67 67 LYS N N 66 121.300 119.611 1.689 1
1 774 . 5 1 1 A 68 68 THR H H 67 7.960 7.935 0.025 1
1 775 . 5 1 1 A 68 68 THR HA H 67 4.130 3.847 0.283 1
1 780 . 5 1 1 A 68 68 THR C C 67 176.200 176.763 -0.563 1
1 781 . 5 1 1 A 68 68 THR CA C 67 67.800 67.248 0.552 1
1 782 . 5 1 1 A 68 68 THR CB C 67 67.800 68.505 -0.705 1
1 784 . 5 1 1 A 68 68 THR N N 67 114.200 116.879 -2.679 1
1 785 . 5 1 1 A 69 69 LYS H H 68 7.770 8.356 -0.586 1
1 786 . 5 1 1 A 69 69 LYS HA H 68 3.990 4.035 -0.045 1
1 795 . 5 1 1 A 69 69 LYS C C 68 178.100 178.762 -0.662 1
1 796 . 5 1 1 A 69 69 LYS CA C 68 59.400 58.862 0.538 1
1 797 . 5 1 1 A 69 69 LYS CB C 68 31.700 31.878 -0.178 1
1 801 . 5 1 1 A 69 69 LYS N N 68 122.000 120.075 1.925 1
1 802 . 5 1 1 A 70 70 ALA H H 69 7.480 7.582 -0.102 1
1 803 . 5 1 1 A 70 70 ALA HA H 69 4.240 4.042 0.198 1
1 807 . 5 1 1 A 70 70 ALA C C 69 181.200 179.723 1.477 1
1 808 . 5 1 1 A 70 70 ALA CA C 69 55.200 55.127 0.073 1
1 809 . 5 1 1 A 70 70 ALA CB C 69 17.900 18.575 -0.675 1
1 810 . 5 1 1 A 70 70 ALA N N 69 120.300 122.253 -1.953 1
1 811 . 5 1 1 A 71 71 VAL H H 70 8.160 7.956 0.204 1
1 812 . 5 1 1 A 71 71 VAL HA H 70 3.620 3.790 -0.170 1
1 820 . 5 1 1 A 71 71 VAL C C 70 177.400 178.088 -0.688 1
1 821 . 5 1 1 A 71 71 VAL CA C 70 66.600 65.077 1.523 1
1 822 . 5 1 1 A 71 71 VAL CB C 70 31.500 31.545 -0.045 1
1 825 . 5 1 1 A 71 71 VAL N N 70 120.300 116.230 4.070 1
1 826 . 5 1 1 A 72 72 GLU H H 71 8.690 8.746 -0.056 1
1 827 . 5 1 1 A 72 72 GLU HA H 71 3.800 3.973 -0.173 1
1 832 . 5 1 1 A 72 72 GLU C C 71 178.000 179.554 -1.554 1
1 833 . 5 1 1 A 72 72 GLU CA C 71 60.400 60.389 0.011 1
1 834 . 5 1 1 A 72 72 GLU CB C 71 29.200 29.312 -0.112 1
1 836 . 5 1 1 A 72 72 GLU N N 71 119.300 121.835 -2.535 1
1 837 . 5 1 1 A 73 73 ASN H H 72 8.460 7.986 0.474 1
1 838 . 5 1 1 A 73 73 ASN HA H 72 4.440 4.519 -0.079 1
1 843 . 5 1 1 A 73 73 ASN C C 72 177.600 177.355 0.245 1
1 844 . 5 1 1 A 73 73 ASN CA C 72 56.200 56.278 -0.078 1
1 845 . 5 1 1 A 73 73 ASN CB C 72 37.600 38.431 -0.831 1
1 846 . 5 1 1 A 73 73 ASN N N 72 115.900 117.975 -2.075 1
1 848 . 5 1 1 A 74 74 TYR H H 73 7.940 8.045 -0.105 1
1 849 . 5 1 1 A 74 74 TYR HA H 73 4.200 4.233 -0.033 1
1 856 . 5 1 1 A 74 74 TYR C C 73 177.600 177.077 0.523 1
1 857 . 5 1 1 A 74 74 TYR CA C 73 61.500 61.578 -0.078 1
1 858 . 5 1 1 A 74 74 TYR CB C 73 38.400 38.922 -0.522 1
1 863 . 5 1 1 A 74 74 TYR N N 73 122.400 121.054 1.346 1
1 864 . 5 1 1 A 75 75 LEU H H 74 8.410 8.781 -0.371 1
1 865 . 5 1 1 A 75 75 LEU HA H 74 3.930 3.924 0.006 1
1 875 . 5 1 1 A 75 75 LEU C C 74 178.500 179.089 -0.589 1
1 876 . 5 1 1 A 75 75 LEU CA C 74 58.100 58.059 0.041 1
1 877 . 5 1 1 A 75 75 LEU CB C 74 42.600 41.397 1.203 1
1 881 . 5 1 1 A 75 75 LEU N N 74 119.500 120.062 -0.562 1
1 882 . 5 1 1 A 76 76 ILE H H 75 8.400 7.886 0.514 1
1 883 . 5 1 1 A 76 76 ILE HA H 75 3.570 3.492 0.078 1
1 890 . 5 1 1 A 76 76 ILE C C 75 178.100 178.394 -0.294 1
1 891 . 5 1 1 A 76 76 ILE CA C 75 65.200 65.379 -0.179 1
1 892 . 5 1 1 A 76 76 ILE CB C 75 37.800 37.847 -0.047 1
1 896 . 5 1 1 A 76 76 ILE N N 75 118.600 120.182 -1.582 1
1 897 . 5 1 1 A 77 77 GLN H H 76 7.830 7.150 0.680 1
1 898 . 5 1 1 A 77 77 GLN HA H 76 3.920 4.060 -0.140 1
1 903 . 5 1 1 A 77 77 GLN C C 76 178.100 178.673 -0.573 1
1 904 . 5 1 1 A 77 77 GLN CA C 76 59.100 58.583 0.517 1
1 905 . 5 1 1 A 77 77 GLN CB C 76 28.000 28.374 -0.374 1
1 907 . 5 1 1 A 77 77 GLN N N 76 119.300 118.873 0.427 1
1 908 . 5 1 1 A 78 78 MET H H 77 8.060 8.452 -0.392 1
1 909 . 5 1 1 A 78 78 MET HA H 77 4.040 4.154 -0.114 1
1 912 . 5 1 1 A 78 78 MET C C 77 178.700 177.969 0.731 1
1 913 . 5 1 1 A 78 78 MET CA C 77 58.600 58.326 0.274 1
1 914 . 5 1 1 A 78 78 MET CB C 77 33.000 32.357 0.643 1
1 916 . 5 1 1 A 78 78 MET N N 77 117.600 119.347 -1.747 1
1 917 . 5 1 1 A 79 79 ALA H H 78 8.210 8.213 -0.003 1
1 918 . 5 1 1 A 79 79 ALA HA H 78 4.190 3.916 0.274 1
1 922 . 5 1 1 A 79 79 ALA C C 78 180.600 179.516 1.084 1
1 923 . 5 1 1 A 79 79 ALA CA C 78 54.100 55.415 -1.315 1
1 924 . 5 1 1 A 79 79 ALA CB C 78 18.400 18.155 0.245 1
1 925 . 5 1 1 A 79 79 ALA N N 78 121.400 121.378 0.022 1
1 926 . 5 1 1 A 80 80 ARG H H 79 8.120 7.650 0.470 1
1 927 . 5 1 1 A 80 80 ARG HA H 79 3.960 4.003 -0.043 1
1 934 . 5 1 1 A 80 80 ARG C C 79 177.900 177.212 0.688 1
1 935 . 5 1 1 A 80 80 ARG CA C 79 58.800 58.346 0.454 1
1 936 . 5 1 1 A 80 80 ARG CB C 79 29.900 29.360 0.540 1
1 939 . 5 1 1 A 80 80 ARG N N 79 119.100 119.940 -0.840 1
1 940 . 5 1 1 A 81 81 TYR H H 80 7.800 7.212 0.588 1
1 941 . 5 1 1 A 81 81 TYR HA H 80 4.710 4.565 0.145 1
1 948 . 5 1 1 A 81 81 TYR C C 80 176.500 175.780 0.720 1
1 949 . 5 1 1 A 81 81 TYR CA C 80 57.500 57.970 -0.470 1
1 950 . 5 1 1 A 81 81 TYR CB C 80 38.100 38.504 -0.404 1
1 955 . 5 1 1 A 81 81 TYR N N 80 115.900 115.588 0.312 1
1 956 . 5 1 1 A 82 82 GLY H H 81 7.850 7.611 0.239 1
1 957 . 5 1 1 A 82 82 GLY HA2 H 81 4.030 3.982 0.048 1
1 958 . 5 1 1 A 82 82 GLY HA3 H 81 4.030 3.997 0.033 1
1 959 . 5 1 1 A 82 82 GLY C C 81 174.900 175.150 -0.250 1
1 960 . 5 1 1 A 82 82 GLY CA C 81 46.300 46.257 0.043 1
1 961 . 5 1 1 A 82 82 GLY N N 81 108.500 108.366 0.134 1
1 962 . 5 1 1 A 83 83 GLN H H 82 8.200 7.907 0.293 1
1 963 . 5 1 1 A 83 83 GLN HA H 82 4.310 4.378 -0.068 1
1 968 . 5 1 1 A 83 83 GLN C C 82 175.500 175.330 0.170 1
1 969 . 5 1 1 A 83 83 GLN CA C 82 55.700 56.112 -0.412 1
1 970 . 5 1 1 A 83 83 GLN CB C 82 29.400 28.921 0.479 1
1 972 . 5 1 1 A 83 83 GLN N N 82 116.900 117.812 -0.912 1
1 973 . 5 1 1 A 84 84 LEU H H 83 7.990 7.600 0.390 1
1 974 . 5 1 1 A 84 84 LEU HA H 83 4.610 4.555 0.055 1
1 984 . 5 1 1 A 84 84 LEU C C 83 176.500 176.413 0.087 1
1 985 . 5 1 1 A 84 84 LEU CA C 83 54.300 53.745 0.555 1
1 986 . 5 1 1 A 84 84 LEU CB C 83 42.600 42.632 -0.032 1
1 990 . 5 1 1 A 84 84 LEU N N 83 121.400 123.399 -1.999 1
1 991 . 5 1 1 A 85 85 SER H H 84 8.630 8.892 -0.262 1
1 992 . 5 1 1 A 85 85 SER HA H 84 4.410 4.616 -0.206 1
1 995 . 5 1 1 A 85 85 SER C C 84 173.700 174.420 -0.720 1
1 996 . 5 1 1 A 85 85 SER CA C 84 59.400 59.421 -0.021 1
1 997 . 5 1 1 A 85 85 SER CB C 84 63.900 64.856 -0.956 1
1 998 . 5 1 1 A 85 85 SER N N 84 118.400 122.461 -4.061 1
1 999 . 5 1 1 A 86 86 GLU H H 85 7.690 7.661 0.029 1
1 1000 . 5 1 1 A 86 86 GLU HA H 85 4.530 4.588 -0.058 1
1 1005 . 5 1 1 A 86 86 GLU C C 85 175.400 174.330 1.070 1
1 1006 . 5 1 1 A 86 86 GLU CA C 85 54.900 55.545 -0.645 1
1 1007 . 5 1 1 A 86 86 GLU CB C 85 31.200 33.239 -2.039 1
1 1009 . 5 1 1 A 86 86 GLU N N 85 119.400 119.424 -0.024 1
1 1010 . 5 1 1 A 87 87 LYS H H 86 8.380 8.504 -0.124 1
1 1011 . 5 1 1 A 87 87 LYS HA H 86 4.230 4.298 -0.068 1
1 1018 . 5 1 1 A 87 87 LYS C C 86 176.900 176.944 -0.044 1
1 1019 . 5 1 1 A 87 87 LYS CA C 86 57.000 57.010 -0.010 1
1 1020 . 5 1 1 A 87 87 LYS CB C 86 33.300 32.387 0.913 1
1 1024 . 5 1 1 A 87 87 LYS N N 86 120.400 123.130 -2.730 1
1 1025 . 5 1 1 A 88 88 VAL H H 87 8.960 8.930 0.030 1
1 1026 . 5 1 1 A 88 88 VAL HA H 87 3.970 4.052 -0.082 1
1 1034 . 5 1 1 A 88 88 VAL C C 87 174.700 176.021 -1.321 1
1 1035 . 5 1 1 A 88 88 VAL CA C 87 63.300 63.251 0.049 1
1 1036 . 5 1 1 A 88 88 VAL CB C 87 32.400 31.314 1.086 1
1 1038 . 5 1 1 A 88 88 VAL N N 87 125.200 125.228 -0.028 1
1 1039 . 5 1 1 A 89 89 SER H H 88 8.190 8.983 -0.793 1
1 1040 . 5 1 1 A 89 89 SER HA H 88 4.990 4.545 0.445 1
1 1043 . 5 1 1 A 89 89 SER C C 88 175.700 175.914 -0.214 1
1 1044 . 5 1 1 A 89 89 SER CA C 88 56.200 57.989 -1.789 1
1 1045 . 5 1 1 A 89 89 SER CB C 88 66.600 64.474 2.126 1
1 1046 . 5 1 1 A 89 89 SER N N 88 121.700 123.254 -1.554 1
1 1047 . 5 1 1 A 90 90 GLU H H 89 9.230 8.871 0.359 1
1 1048 . 5 1 1 A 90 90 GLU HA H 89 3.720 3.977 -0.257 1
1 1053 . 5 1 1 A 90 90 GLU C C 89 177.700 178.417 -0.717 1
1 1054 . 5 1 1 A 90 90 GLU CA C 89 61.200 60.169 1.031 1
1 1055 . 5 1 1 A 90 90 GLU CB C 89 29.100 29.325 -0.225 1
1 1057 . 5 1 1 A 90 90 GLU N N 89 121.600 123.717 -2.117 1
1 1058 . 5 1 1 A 91 91 GLN H H 90 8.430 8.410 0.020 1
1 1059 . 5 1 1 A 91 91 GLN HA H 90 4.040 4.074 -0.034 1
1 1066 . 5 1 1 A 91 91 GLN C C 90 178.900 178.499 0.401 1
1 1067 . 5 1 1 A 91 91 GLN CA C 90 59.100 58.160 0.940 1
1 1068 . 5 1 1 A 91 91 GLN CB C 90 27.800 27.840 -0.040 1
1 1070 . 5 1 1 A 91 91 GLN N N 90 117.100 117.966 -0.866 1
1 1072 . 5 1 1 A 92 92 GLY H H 91 8.080 8.129 -0.049 1
1 1073 . 5 1 1 A 92 92 GLY HA2 H 91 3.890 3.545 0.345 1
1 1074 . 5 1 1 A 92 92 GLY HA3 H 91 3.890 3.551 0.339 1
1 1075 . 5 1 1 A 92 92 GLY C C 91 176.600 175.694 0.906 1
1 1076 . 5 1 1 A 92 92 GLY CA C 91 46.900 47.096 -0.196 1
1 1077 . 5 1 1 A 92 92 GLY N N 91 109.400 108.748 0.652 1
1 1078 . 5 1 1 A 93 93 LEU H H 92 8.610 8.122 0.488 1
1 1079 . 5 1 1 A 93 93 LEU HA H 92 4.000 4.120 -0.120 1
1 1089 . 5 1 1 A 93 93 LEU C C 92 178.000 178.329 -0.329 1
1 1090 . 5 1 1 A 93 93 LEU CA C 92 57.500 57.412 0.088 1
1 1091 . 5 1 1 A 93 93 LEU CB C 92 41.800 41.690 0.110 1
1 1095 . 5 1 1 A 93 93 LEU N N 92 123.700 122.434 1.266 1
1 1096 . 5 1 1 A 94 94 ILE H H 93 7.970 8.472 -0.502 1
1 1097 . 5 1 1 A 94 94 ILE HA H 93 3.640 3.593 0.047 1
1 1107 . 5 1 1 A 94 94 ILE C C 93 178.500 178.585 -0.085 1
1 1108 . 5 1 1 A 94 94 ILE CA C 93 64.800 65.172 -0.372 1
1 1109 . 5 1 1 A 94 94 ILE CB C 93 37.100 37.288 -0.188 1
1 1113 . 5 1 1 A 94 94 ILE N N 93 119.900 119.730 0.170 1
1 1114 . 5 1 1 A 95 95 GLU H H 94 7.610 8.163 -0.553 1
1 1115 . 5 1 1 A 95 95 GLU HA H 94 4.090 3.946 0.144 1
1 1120 . 5 1 1 A 95 95 GLU C C 94 179.400 179.262 0.138 1
1 1121 . 5 1 1 A 95 95 GLU CA C 94 59.200 59.297 -0.097 1
1 1122 . 5 1 1 A 95 95 GLU CB C 94 28.800 29.497 -0.697 1
1 1124 . 5 1 1 A 95 95 GLU N N 94 118.800 122.267 -3.467 1
1 1125 . 5 1 1 A 96 96 ILE H H 95 7.840 7.488 0.352 1
1 1126 . 5 1 1 A 96 96 ILE HA H 95 3.520 3.497 0.023 1
1 1136 . 5 1 1 A 96 96 ILE C C 95 177.500 177.540 -0.040 1
1 1137 . 5 1 1 A 96 96 ILE CA C 95 65.500 64.570 0.930 1
1 1138 . 5 1 1 A 96 96 ILE CB C 95 37.900 37.737 0.163 1
1 1142 . 5 1 1 A 96 96 ILE N N 95 121.600 119.875 1.725 1
1 1143 . 5 1 1 A 97 97 LEU H H 96 8.620 8.268 0.352 1
1 1144 . 5 1 1 A 97 97 LEU HA H 96 3.800 3.895 -0.095 1
1 1151 . 5 1 1 A 97 97 LEU C C 96 179.400 178.412 0.988 1
1 1152 . 5 1 1 A 97 97 LEU CA C 96 58.600 58.633 -0.033 1
1 1153 . 5 1 1 A 97 97 LEU CB C 96 41.500 41.436 0.064 1
1 1156 . 5 1 1 A 97 97 LEU N N 96 120.400 121.062 -0.662 1
1 1157 . 5 1 1 A 98 98 LYS H H 97 7.750 8.207 -0.457 1
1 1158 . 5 1 1 A 98 98 LYS HA H 97 3.990 3.825 0.165 1
1 1167 . 5 1 1 A 98 98 LYS C C 97 178.600 179.491 -0.891 1
1 1168 . 5 1 1 A 98 98 LYS CA C 97 59.400 60.342 -0.942 1
1 1169 . 5 1 1 A 98 98 LYS CB C 97 32.300 32.108 0.192 1
1 1172 . 5 1 1 A 98 98 LYS N N 97 119.000 119.124 -0.124 1
1 1173 . 5 1 1 A 99 99 LYS H H 98 7.710 7.570 0.140 1
1 1174 . 5 1 1 A 99 99 LYS HA H 98 4.110 4.030 0.080 1
1 1183 . 5 1 1 A 99 99 LYS C C 98 179.100 177.955 1.145 1
1 1184 . 5 1 1 A 99 99 LYS CA C 98 59.100 59.065 0.035 1
1 1185 . 5 1 1 A 99 99 LYS CB C 98 32.500 31.910 0.590 1
1 1189 . 5 1 1 A 99 99 LYS N N 98 119.500 118.858 0.642 1
1 1190 . 5 1 1 A 100 100 VAL H H 99 8.210 7.651 0.559 1
1 1191 . 5 1 1 A 100 100 VAL HA H 99 3.920 3.951 -0.031 1
1 1196 . 5 1 1 A 100 100 VAL C C 99 177.600 177.823 -0.223 1
1 1197 . 5 1 1 A 100 100 VAL CA C 99 64.200 64.549 -0.349 1
1 1198 . 5 1 1 A 100 100 VAL CB C 99 31.500 31.350 0.150 1
1 1200 . 5 1 1 A 100 100 VAL N N 99 115.800 116.652 -0.852 1
1 1201 . 5 1 1 A 101 101 SER H H 100 7.900 7.990 -0.090 1
1 1202 . 5 1 1 A 101 101 SER HA H 100 4.340 4.074 0.266 1
1 1205 . 5 1 1 A 101 101 SER C C 100 174.600 176.953 -2.353 1
1 1206 . 5 1 1 A 101 101 SER CA C 100 60.400 61.497 -1.097 1
1 1207 . 5 1 1 A 101 101 SER CB C 100 63.600 62.976 0.624 1
1 1208 . 5 1 1 A 101 101 SER N N 100 116.500 117.106 -0.606 1
1 1209 . 5 1 1 A 102 102 GLN H H 101 7.860 7.349 0.511 1
1 1210 . 5 1 1 A 102 102 GLN HA H 101 4.280 4.315 -0.035 1
1 1215 . 5 1 1 A 102 102 GLN C C 101 176.400 176.277 0.123 1
1 1216 . 5 1 1 A 102 102 GLN CA C 101 56.800 57.589 -0.789 1
1 1217 . 5 1 1 A 102 102 GLN CB C 101 28.900 28.912 -0.012 1
1 1219 . 5 1 1 A 102 102 GLN N N 101 120.100 118.555 1.545 1
1 1220 . 5 1 1 A 103 103 GLN H H 102 8.080 7.579 0.501 1
1 1221 . 5 1 1 A 103 103 GLN HA H 102 4.360 4.761 -0.401 1
1 1226 . 5 1 1 A 103 103 GLN C C 102 176.500 173.991 2.509 1
1 1227 . 5 1 1 A 103 103 GLN CA C 102 56.700 54.871 1.829 1
1 1228 . 5 1 1 A 103 103 GLN CB C 102 29.000 31.239 -2.239 1
1 1230 . 5 1 1 A 103 103 GLN N N 102 119.700 112.966 6.734 1
1 1231 . 5 1 1 A 104 104 THR H H 103 8.070 8.929 -0.859 1
1 1232 . 5 1 1 A 104 104 THR HA H 103 4.350 4.629 -0.279 1
1 1237 . 5 1 1 A 104 104 THR C C 103 174.700 174.871 -0.171 1
1 1238 . 5 1 1 A 104 104 THR CA C 103 62.500 63.443 -0.943 1
1 1239 . 5 1 1 A 104 104 THR CB C 103 69.800 71.080 -1.280 1
1 1241 . 5 1 1 A 104 104 THR N N 103 113.900 114.822 -0.922 1
1 1242 . 5 1 1 A 105 105 GLU H H 104 8.290 8.149 0.141 1
1 1243 . 5 1 1 A 105 105 GLU HA H 104 4.350 4.724 -0.374 1
1 1248 . 5 1 1 A 105 105 GLU C C 104 176.300 176.254 0.046 1
1 1249 . 5 1 1 A 105 105 GLU CA C 104 56.700 55.553 1.147 1
1 1250 . 5 1 1 A 105 105 GLU CB C 104 29.900 30.603 -0.703 1
1 1252 . 5 1 1 A 105 105 GLU N N 104 122.900 118.288 4.612 1
1 1253 . 5 1 1 A 106 106 LYS H H 105 8.320 8.041 0.279 1
1 1254 . 5 1 1 A 106 106 LYS HA H 105 4.390 4.686 -0.296 1
1 1263 . 5 1 1 A 106 106 LYS C C 105 176.800 176.861 -0.061 1
1 1264 . 5 1 1 A 106 106 LYS CA C 105 56.700 58.635 -1.935 1
1 1265 . 5 1 1 A 106 106 LYS CB C 105 32.800 32.080 0.720 1
1 1269 . 5 1 1 A 106 106 LYS N N 105 121.900 119.319 2.581 1
1 1270 . 5 1 1 A 107 107 THR H H 106 8.150 7.912 0.238 1
1 1271 . 5 1 1 A 107 107 THR HA H 106 4.430 4.646 -0.216 1
1 1276 . 5 1 1 A 107 107 THR C C 106 174.600 174.320 0.280 1
1 1277 . 5 1 1 A 107 107 THR CA C 106 62.000 60.983 1.017 1
1 1278 . 5 1 1 A 107 107 THR CB C 106 70.000 70.101 -0.101 1
1 1280 . 5 1 1 A 107 107 THR N N 106 115.000 114.818 0.182 1
1 1281 . 5 1 1 A 108 108 THR H H 107 8.190 7.987 0.203 1
1 1282 . 5 1 1 A 108 108 THR HA H 107 4.440 4.230 0.210 1
1 1287 . 5 1 1 A 108 108 THR C C 107 174.500 173.870 0.630 1
1 1288 . 5 1 1 A 108 108 THR CA C 107 62.000 62.212 -0.212 1
1 1289 . 5 1 1 A 108 108 THR CB C 107 69.800 68.278 1.522 1
1 1291 . 5 1 1 A 108 108 THR N N 107 116.500 112.155 4.345 1
1 1292 . 5 1 1 A 109 109 THR H H 108 8.170 8.605 -0.435 1
1 1293 . 5 1 1 A 109 109 THR HA H 108 4.350 4.447 -0.097 1
1 1298 . 5 1 1 A 109 109 THR C C 108 174.200 174.618 -0.418 1
1 1299 . 5 1 1 A 109 109 THR CA C 108 62.000 61.460 0.540 1
1 1300 . 5 1 1 A 109 109 THR CB C 108 69.800 70.402 -0.602 1
1 1302 . 5 1 1 A 109 109 THR N N 108 117.200 119.846 -2.646 1
1 1303 . 5 1 1 A 110 110 VAL H H 109 8.100 8.872 -0.772 1
1 1304 . 5 1 1 A 110 110 VAL HA H 109 4.040 3.865 0.175 1
1 1312 . 5 1 1 A 110 110 VAL C C 109 175.200 175.164 0.036 1
1 1313 . 5 1 1 A 110 110 VAL CA C 109 62.300 63.092 -0.792 1
1 1314 . 5 1 1 A 110 110 VAL CB C 109 32.600 29.453 3.147 1
1 1316 . 5 1 1 A 110 110 VAL N N 109 123.100 122.903 0.197 1
1 1317 . 5 1 1 A 111 111 LYS H H 110 8.200 7.798 0.402 1
1 1318 . 5 1 1 A 111 111 LYS HA H 110 4.310 4.653 -0.343 1
1 1327 . 5 1 1 A 111 111 LYS C C 110 175.700 174.456 1.244 1
1 1328 . 5 1 1 A 111 111 LYS CA C 110 55.700 55.623 0.077 1
1 1329 . 5 1 1 A 111 111 LYS CB C 110 33.300 35.525 -2.225 1
1 1333 . 5 1 1 A 111 111 LYS N N 110 125.200 123.545 1.655 1
1 1334 . 5 1 1 A 112 112 PHE H H 111 8.310 8.420 -0.110 1
1 1335 . 5 1 1 A 112 112 PHE HA H 111 4.650 5.659 -1.009 1
1 1338 . 5 1 1 A 112 112 PHE C C 111 174.500 174.236 0.264 1
1 1339 . 5 1 1 A 112 112 PHE CA C 111 57.500 55.343 2.157 1
1 1340 . 5 1 1 A 112 112 PHE CB C 111 39.700 41.546 -1.846 1
1 1341 . 5 1 1 A 112 112 PHE N N 111 122.100 122.682 -0.582 1
1 1 . 6 1 1 A 2 2 SER H H 1 8.780 8.634 0.146 1
1 2 . 6 1 1 A 2 2 SER HA H 1 4.480 4.433 0.047 1
1 5 . 6 1 1 A 2 2 SER C C 1 175.000 174.820 0.180 1
1 6 . 6 1 1 A 2 2 SER CA C 1 59.100 58.958 0.142 1
1 7 . 6 1 1 A 2 2 SER CB C 1 63.900 62.724 1.176 1
1 8 . 6 1 1 A 2 2 SER N N 1 116.600 119.509 -2.909 1
1 9 . 6 1 1 A 3 3 ALA H H 2 8.710 8.877 -0.167 1
1 10 . 6 1 1 A 3 3 ALA HA H 2 4.310 3.961 0.349 1
1 14 . 6 1 1 A 3 3 ALA C C 2 178.800 179.429 -0.629 1
1 15 . 6 1 1 A 3 3 ALA CA C 2 53.800 55.445 -1.645 1
1 16 . 6 1 1 A 3 3 ALA CB C 2 18.500 18.340 0.160 1
1 17 . 6 1 1 A 3 3 ALA N N 2 125.500 130.079 -4.579 1
1 18 . 6 1 1 A 4 4 ASP H H 3 8.190 8.331 -0.141 1
1 19 . 6 1 1 A 4 4 ASP HA H 3 4.500 4.268 0.232 1
1 22 . 6 1 1 A 4 4 ASP C C 3 177.700 179.369 -1.669 1
1 23 . 6 1 1 A 4 4 ASP CA C 3 55.900 57.421 -1.521 1
1 24 . 6 1 1 A 4 4 ASP CB C 3 40.500 39.814 0.686 1
1 25 . 6 1 1 A 4 4 ASP N N 3 117.800 118.545 -0.745 1
1 26 . 6 1 1 A 5 5 GLU H H 4 8.150 8.048 0.102 1
1 27 . 6 1 1 A 5 5 GLU HA H 4 4.140 4.072 0.068 1
1 32 . 6 1 1 A 5 5 GLU C C 4 178.600 179.102 -0.502 1
1 33 . 6 1 1 A 5 5 GLU CA C 4 58.600 59.259 -0.659 1
1 34 . 6 1 1 A 5 5 GLU CB C 4 29.100 29.268 -0.168 1
1 36 . 6 1 1 A 5 5 GLU N N 4 120.800 119.831 0.969 1
1 37 . 6 1 1 A 6 6 GLU H H 5 8.250 8.465 -0.215 1
1 38 . 6 1 1 A 6 6 GLU HA H 5 4.200 3.995 0.205 1
1 43 . 6 1 1 A 6 6 GLU C C 5 178.300 179.084 -0.784 1
1 44 . 6 1 1 A 6 6 GLU CA C 5 58.600 59.055 -0.455 1
1 45 . 6 1 1 A 6 6 GLU CB C 5 28.800 29.218 -0.418 1
1 47 . 6 1 1 A 6 6 GLU N N 5 120.800 120.983 -0.183 1
1 48 . 6 1 1 A 7 7 LEU H H 6 7.990 8.215 -0.225 1
1 49 . 6 1 1 A 7 7 LEU HA H 6 4.170 4.018 0.152 1
1 58 . 6 1 1 A 7 7 LEU C C 6 179.500 178.748 0.752 1
1 59 . 6 1 1 A 7 7 LEU CA C 6 57.500 58.010 -0.510 1
1 60 . 6 1 1 A 7 7 LEU CB C 6 41.600 41.872 -0.272 1
1 64 . 6 1 1 A 7 7 LEU N N 6 120.900 121.327 -0.427 1
1 65 . 6 1 1 A 8 8 GLU H H 7 8.130 8.023 0.107 1
1 66 . 6 1 1 A 8 8 GLU HA H 7 4.160 3.978 0.182 1
1 71 . 6 1 1 A 8 8 GLU C C 7 178.300 178.666 -0.366 1
1 72 . 6 1 1 A 8 8 GLU CA C 7 58.800 59.098 -0.298 1
1 73 . 6 1 1 A 8 8 GLU CB C 7 28.800 29.542 -0.742 1
1 75 . 6 1 1 A 8 8 GLU N N 7 120.100 118.274 1.826 1
1 76 . 6 1 1 A 9 9 ALA H H 8 8.030 8.333 -0.303 1
1 77 . 6 1 1 A 9 9 ALA HA H 8 4.090 4.104 -0.014 1
1 81 . 6 1 1 A 9 9 ALA C C 8 180.500 179.830 0.670 1
1 82 . 6 1 1 A 9 9 ALA CA C 8 55.100 55.195 -0.095 1
1 83 . 6 1 1 A 9 9 ALA CB C 8 17.900 18.341 -0.441 1
1 84 . 6 1 1 A 9 9 ALA N N 8 122.100 122.176 -0.076 1
1 85 . 6 1 1 A 10 10 LEU H H 9 7.890 8.026 -0.136 1
1 86 . 6 1 1 A 10 10 LEU HA H 9 4.160 4.099 0.061 1
1 95 . 6 1 1 A 10 10 LEU C C 9 179.200 178.748 0.452 1
1 96 . 6 1 1 A 10 10 LEU CA C 9 57.500 57.639 -0.139 1
1 97 . 6 1 1 A 10 10 LEU CB C 9 41.800 41.720 0.080 1
1 101 . 6 1 1 A 10 10 LEU N N 9 119.500 119.496 0.004 1
1 102 . 6 1 1 A 11 11 ARG H H 10 8.080 8.022 0.058 1
1 103 . 6 1 1 A 11 11 ARG HA H 10 4.010 4.027 -0.017 1
1 110 . 6 1 1 A 11 11 ARG C C 10 178.900 179.066 -0.166 1
1 111 . 6 1 1 A 11 11 ARG CA C 10 59.400 59.596 -0.196 1
1 112 . 6 1 1 A 11 11 ARG CB C 10 30.100 30.009 0.091 1
1 115 . 6 1 1 A 11 11 ARG N N 10 120.400 118.792 1.608 1
1 116 . 6 1 1 A 12 12 ARG H H 11 8.170 8.428 -0.258 1
1 117 . 6 1 1 A 12 12 ARG HA H 11 4.040 4.131 -0.091 1
1 124 . 6 1 1 A 12 12 ARG C C 11 178.900 178.846 0.054 1
1 125 . 6 1 1 A 12 12 ARG CA C 11 59.300 59.545 -0.245 1
1 126 . 6 1 1 A 12 12 ARG CB C 11 30.000 29.890 0.110 1
1 129 . 6 1 1 A 12 12 ARG N N 11 118.400 119.038 -0.638 1
1 130 . 6 1 1 A 13 13 GLN H H 12 8.060 8.201 -0.141 1
1 131 . 6 1 1 A 13 13 GLN HA H 12 4.150 4.049 0.101 1
1 136 . 6 1 1 A 13 13 GLN C C 12 177.900 178.669 -0.769 1
1 137 . 6 1 1 A 13 13 GLN CA C 12 58.600 59.058 -0.458 1
1 138 . 6 1 1 A 13 13 GLN CB C 12 28.500 28.620 -0.120 1
1 140 . 6 1 1 A 13 13 GLN N N 12 120.400 119.306 1.094 1
1 141 . 6 1 1 A 14 14 ARG H H 13 8.180 7.689 0.491 1
1 142 . 6 1 1 A 14 14 ARG HA H 13 4.160 4.090 0.070 1
1 149 . 6 1 1 A 14 14 ARG C C 13 178.600 178.767 -0.167 1
1 150 . 6 1 1 A 14 14 ARG CA C 13 58.600 58.887 -0.287 1
1 151 . 6 1 1 A 14 14 ARG CB C 13 29.900 29.702 0.198 1
1 154 . 6 1 1 A 14 14 ARG N N 13 119.900 119.334 0.566 1
1 155 . 6 1 1 A 15 15 LEU H H 14 7.980 8.618 -0.638 1
1 156 . 6 1 1 A 15 15 LEU HA H 14 4.180 4.199 -0.019 1
1 165 . 6 1 1 A 15 15 LEU C C 14 178.800 179.519 -0.719 1
1 166 . 6 1 1 A 15 15 LEU CA C 14 57.300 58.412 -1.112 1
1 167 . 6 1 1 A 15 15 LEU CB C 14 41.700 41.056 0.644 1
1 171 . 6 1 1 A 15 15 LEU N N 14 119.900 119.826 0.074 1
1 172 . 6 1 1 A 16 16 ALA H H 15 7.930 7.761 0.169 1
1 173 . 6 1 1 A 16 16 ALA HA H 15 4.190 4.129 0.061 1
1 177 . 6 1 1 A 16 16 ALA C C 15 180.100 178.928 1.172 1
1 178 . 6 1 1 A 16 16 ALA CA C 15 54.500 55.100 -0.600 1
1 179 . 6 1 1 A 16 16 ALA CB C 15 18.000 17.983 0.017 1
1 180 . 6 1 1 A 16 16 ALA N N 15 122.000 122.075 -0.075 1
1 181 . 6 1 1 A 17 17 GLU H H 16 8.010 7.598 0.412 1
1 182 . 6 1 1 A 17 17 GLU HA H 16 4.160 4.188 -0.028 1
1 187 . 6 1 1 A 17 17 GLU C C 16 178.100 178.992 -0.892 1
1 188 . 6 1 1 A 17 17 GLU CA C 16 58.100 58.985 -0.885 1
1 189 . 6 1 1 A 17 17 GLU CB C 16 28.900 29.657 -0.757 1
1 191 . 6 1 1 A 17 17 GLU N N 16 118.500 118.068 0.432 1
1 192 . 6 1 1 A 18 18 LEU H H 17 7.890 8.311 -0.421 1
1 193 . 6 1 1 A 18 18 LEU HA H 17 4.200 4.158 0.042 1
1 203 . 6 1 1 A 18 18 LEU C C 17 178.700 176.740 1.960 1
1 204 . 6 1 1 A 18 18 LEU CA C 17 56.900 57.327 -0.427 1
1 205 . 6 1 1 A 18 18 LEU CB C 17 42.100 42.418 -0.318 1
1 209 . 6 1 1 A 18 18 LEU N N 17 120.400 121.284 -0.884 1
1 210 . 6 1 1 A 19 19 GLN H H 18 8.020 7.770 0.250 1
1 211 . 6 1 1 A 19 19 GLN HA H 18 4.200 4.301 -0.101 1
1 216 . 6 1 1 A 19 19 GLN C C 18 176.700 175.501 1.199 1
1 217 . 6 1 1 A 19 19 GLN CA C 18 56.900 58.139 -1.239 1
1 218 . 6 1 1 A 19 19 GLN CB C 18 28.800 28.372 0.428 1
1 220 . 6 1 1 A 19 19 GLN N N 18 118.500 118.649 -0.149 1
1 221 . 6 1 1 A 20 20 ALA H H 19 7.850 8.167 -0.317 1
1 222 . 6 1 1 A 20 20 ALA HA H 19 4.240 4.308 -0.068 1
1 226 . 6 1 1 A 20 20 ALA C C 19 178.000 176.798 1.202 1
1 227 . 6 1 1 A 20 20 ALA CA C 19 53.100 52.788 0.312 1
1 228 . 6 1 1 A 20 20 ALA CB C 19 18.700 19.040 -0.340 1
1 229 . 6 1 1 A 20 20 ALA N N 19 122.700 124.328 -1.628 1
1 230 . 6 1 1 A 21 21 LYS H H 20 7.950 8.842 -0.892 1
1 231 . 6 1 1 A 21 21 LYS HA H 20 4.260 4.348 -0.088 1
1 238 . 6 1 1 A 21 21 LYS C C 20 176.600 175.689 0.911 1
1 239 . 6 1 1 A 21 21 LYS CA C 20 56.500 55.481 1.019 1
1 240 . 6 1 1 A 21 21 LYS CB C 20 32.600 30.891 1.709 1
1 244 . 6 1 1 A 21 21 LYS N N 20 118.800 125.316 -6.516 1
1 245 . 6 1 1 A 22 22 HIS H H 21 8.320 8.322 -0.002 1
1 246 . 6 1 1 A 22 22 HIS HA H 21 4.730 4.744 -0.014 1
1 249 . 6 1 1 A 22 22 HIS C C 21 174.800 175.813 -1.013 1
1 250 . 6 1 1 A 22 22 HIS CA C 21 55.400 54.878 0.522 1
1 251 . 6 1 1 A 22 22 HIS CB C 21 28.800 31.297 -2.497 1
1 252 . 6 1 1 A 22 22 HIS N N 21 118.600 124.897 -6.297 1
1 253 . 6 1 1 A 23 23 GLY H H 22 8.360 8.318 0.042 1
1 254 . 6 1 1 A 23 23 GLY HA2 H 22 3.960 3.834 0.126 1
1 255 . 6 1 1 A 23 23 GLY HA3 H 22 3.960 3.837 0.123 1
1 256 . 6 1 1 A 23 23 GLY C C 22 173.200 173.583 -0.383 1
1 257 . 6 1 1 A 23 23 GLY CA C 22 45.000 45.599 -0.599 1
1 258 . 6 1 1 A 23 23 GLY N N 22 109.600 107.902 1.698 1
1 259 . 6 1 1 A 24 24 ASP H H 23 8.320 7.682 0.638 1
1 260 . 6 1 1 A 24 24 ASP HA H 23 4.940 4.825 0.115 1
1 263 . 6 1 1 A 24 24 ASP C C 23 174.900 176.005 -1.105 1
1 264 . 6 1 1 A 24 24 ASP CA C 23 52.200 51.734 0.466 1
1 265 . 6 1 1 A 24 24 ASP CB C 23 41.300 41.755 -0.455 1
1 266 . 6 1 1 A 24 24 ASP N N 23 121.600 122.390 -0.790 1
1 267 . 6 1 1 A 25 25 PRO HA H 24 4.430 4.582 -0.152 1
1 274 . 6 1 1 A 25 25 PRO C C 24 177.800 176.854 0.946 1
1 275 . 6 1 1 A 25 25 PRO CA C 24 64.100 63.895 0.205 1
1 276 . 6 1 1 A 25 25 PRO CB C 24 31.900 32.898 -0.998 1
1 279 . 6 1 1 A 26 26 GLY H H 25 8.520 8.337 0.183 1
1 280 . 6 1 1 A 26 26 GLY HA2 H 25 3.940 3.861 0.079 1
1 281 . 6 1 1 A 26 26 GLY HA3 H 25 3.940 3.866 0.074 1
1 282 . 6 1 1 A 26 26 GLY C C 25 174.400 175.692 -1.292 1
1 283 . 6 1 1 A 26 26 GLY CA C 25 45.500 47.059 -1.559 1
1 284 . 6 1 1 A 26 26 GLY N N 25 108.300 108.864 -0.564 1
1 285 . 6 1 1 A 27 27 ASP H H 26 8.100 7.861 0.239 1
1 286 . 6 1 1 A 27 27 ASP HA H 26 4.610 4.351 0.259 1
1 289 . 6 1 1 A 27 27 ASP C C 26 176.900 178.677 -1.777 1
1 290 . 6 1 1 A 27 27 ASP CA C 26 54.800 57.140 -2.340 1
1 291 . 6 1 1 A 27 27 ASP CB C 26 40.800 40.445 0.355 1
1 292 . 6 1 1 A 27 27 ASP N N 26 120.700 121.732 -1.032 1
1 293 . 6 1 1 A 28 28 ALA H H 27 8.320 8.186 0.134 1
1 294 . 6 1 1 A 28 28 ALA HA H 27 4.180 4.065 0.115 1
1 298 . 6 1 1 A 28 28 ALA C C 27 179.300 179.794 -0.494 1
1 299 . 6 1 1 A 28 28 ALA CA C 27 54.600 55.123 -0.523 1
1 300 . 6 1 1 A 28 28 ALA CB C 27 18.400 18.183 0.217 1
1 301 . 6 1 1 A 28 28 ALA N N 27 124.100 123.358 0.742 1
1 302 . 6 1 1 A 29 29 ALA H H 28 8.250 8.559 -0.309 1
1 303 . 6 1 1 A 29 29 ALA HA H 28 4.230 3.999 0.231 1
1 307 . 6 1 1 A 29 29 ALA C C 28 180.000 180.311 -0.311 1
1 308 . 6 1 1 A 29 29 ALA CA C 28 54.300 55.219 -0.919 1
1 309 . 6 1 1 A 29 29 ALA CB C 28 18.200 18.528 -0.328 1
1 310 . 6 1 1 A 29 29 ALA N N 28 121.200 119.492 1.708 1
1 311 . 6 1 1 A 30 30 GLN H H 29 8.120 7.442 0.678 1
1 312 . 6 1 1 A 30 30 GLN HA H 29 4.230 3.993 0.237 1
1 317 . 6 1 1 A 30 30 GLN C C 29 177.900 178.782 -0.882 1
1 318 . 6 1 1 A 30 30 GLN CA C 29 57.800 58.800 -1.000 1
1 319 . 6 1 1 A 30 30 GLN CB C 29 28.600 28.497 0.103 1
1 321 . 6 1 1 A 30 30 GLN N N 29 118.800 117.824 0.976 1
1 322 . 6 1 1 A 31 31 GLN H H 30 8.240 7.735 0.505 1
1 323 . 6 1 1 A 31 31 GLN HA H 30 4.120 4.147 -0.027 1
1 328 . 6 1 1 A 31 31 GLN C C 30 178.100 178.702 -0.602 1
1 329 . 6 1 1 A 31 31 GLN CA C 30 58.000 59.062 -1.062 1
1 330 . 6 1 1 A 31 31 GLN CB C 30 28.500 28.393 0.107 1
1 332 . 6 1 1 A 31 31 GLN N N 30 119.600 119.114 0.486 1
1 333 . 6 1 1 A 32 32 GLU H H 31 8.300 8.391 -0.091 1
1 334 . 6 1 1 A 32 32 GLU HA H 31 4.190 4.079 0.111 1
1 339 . 6 1 1 A 32 32 GLU C C 31 178.100 178.971 -0.871 1
1 340 . 6 1 1 A 32 32 GLU CA C 31 58.600 58.966 -0.366 1
1 341 . 6 1 1 A 32 32 GLU CB C 31 28.800 29.913 -1.113 1
1 343 . 6 1 1 A 32 32 GLU N N 31 120.800 120.024 0.776 1
1 344 . 6 1 1 A 33 33 ALA H H 32 8.070 8.477 -0.407 1
1 345 . 6 1 1 A 33 33 ALA HA H 32 4.160 4.064 0.096 1
1 349 . 6 1 1 A 33 33 ALA C C 32 179.900 179.379 0.521 1
1 350 . 6 1 1 A 33 33 ALA CA C 32 54.900 55.292 -0.392 1
1 351 . 6 1 1 A 33 33 ALA CB C 32 18.200 18.412 -0.212 1
1 352 . 6 1 1 A 33 33 ALA N N 32 123.000 122.261 0.739 1
1 353 . 6 1 1 A 34 34 LYS H H 33 8.050 8.011 0.039 1
1 354 . 6 1 1 A 34 34 LYS HA H 33 4.150 4.052 0.098 1
1 363 . 6 1 1 A 34 34 LYS C C 33 178.900 179.224 -0.324 1
1 364 . 6 1 1 A 34 34 LYS CA C 33 58.600 59.030 -0.430 1
1 365 . 6 1 1 A 34 34 LYS CB C 33 32.300 31.859 0.441 1
1 369 . 6 1 1 A 34 34 LYS N N 33 118.600 118.983 -0.383 1
1 370 . 6 1 1 A 35 35 HIS H H 34 8.240 8.591 -0.351 1
1 371 . 6 1 1 A 35 35 HIS HA H 34 4.580 4.170 0.410 1
1 374 . 6 1 1 A 35 35 HIS C C 34 176.300 176.923 -0.623 1
1 375 . 6 1 1 A 35 35 HIS CA C 34 57.800 60.028 -2.228 1
1 376 . 6 1 1 A 35 35 HIS CB C 34 28.300 29.957 -1.657 1
1 377 . 6 1 1 A 35 35 HIS N N 34 119.100 119.476 -0.376 1
1 378 . 6 1 1 A 36 36 ARG H H 35 8.390 8.568 -0.178 1
1 379 . 6 1 1 A 36 36 ARG HA H 35 4.160 3.755 0.405 1
1 386 . 6 1 1 A 36 36 ARG C C 35 178.500 178.522 -0.022 1
1 387 . 6 1 1 A 36 36 ARG CA C 35 58.800 59.746 -0.946 1
1 388 . 6 1 1 A 36 36 ARG CB C 35 29.200 29.734 -0.534 1
1 391 . 6 1 1 A 36 36 ARG N N 35 120.600 119.837 0.763 1
1 392 . 6 1 1 A 37 37 GLU H H 36 8.240 8.655 -0.415 1
1 393 . 6 1 1 A 37 37 GLU HA H 36 4.080 4.089 -0.009 1
1 398 . 6 1 1 A 37 37 GLU C C 36 178.200 178.603 -0.403 1
1 399 . 6 1 1 A 37 37 GLU CA C 36 59.100 58.888 0.212 1
1 400 . 6 1 1 A 37 37 GLU CB C 36 29.100 29.485 -0.385 1
1 402 . 6 1 1 A 37 37 GLU N N 36 120.400 119.211 1.189 1
1 403 . 6 1 1 A 38 38 ALA H H 37 7.980 7.970 0.010 1
1 404 . 6 1 1 A 38 38 ALA HA H 37 4.100 4.026 0.074 1
1 408 . 6 1 1 A 38 38 ALA C C 37 179.800 179.647 0.153 1
1 409 . 6 1 1 A 38 38 ALA CA C 37 55.100 55.048 0.052 1
1 410 . 6 1 1 A 38 38 ALA CB C 37 18.000 18.153 -0.153 1
1 411 . 6 1 1 A 38 38 ALA N N 37 122.000 121.889 0.111 1
1 412 . 6 1 1 A 39 39 GLU H H 38 8.050 8.411 -0.361 1
1 413 . 6 1 1 A 39 39 GLU HA H 38 4.120 3.863 0.257 1
1 418 . 6 1 1 A 39 39 GLU C C 38 179.000 178.605 0.395 1
1 419 . 6 1 1 A 39 39 GLU CA C 38 58.800 59.654 -0.854 1
1 420 . 6 1 1 A 39 39 GLU CB C 38 29.100 29.107 -0.007 1
1 422 . 6 1 1 A 39 39 GLU N N 38 118.200 118.251 -0.051 1
1 423 . 6 1 1 A 40 40 MET H H 39 8.130 7.925 0.205 1
1 424 . 6 1 1 A 40 40 MET HA H 39 4.200 3.964 0.236 1
1 429 . 6 1 1 A 40 40 MET C C 39 178.200 178.207 -0.007 1
1 430 . 6 1 1 A 40 40 MET CA C 39 58.100 58.593 -0.493 1
1 431 . 6 1 1 A 40 40 MET CB C 39 32.300 32.038 0.262 1
1 433 . 6 1 1 A 40 40 MET N N 39 120.300 119.628 0.672 1
1 434 . 6 1 1 A 41 41 ARG HA H 40 3.890 4.091 -0.201 1
1 441 . 6 1 1 A 41 41 ARG C C 40 177.700 179.070 -1.370 1
1 442 . 6 1 1 A 41 41 ARG CA C 40 59.500 59.491 0.009 1
1 443 . 6 1 1 A 41 41 ARG CB C 40 30.300 29.996 0.304 1
1 444 . 6 1 1 A 42 42 ASN H H 41 8.190 8.673 -0.483 1
1 445 . 6 1 1 A 42 42 ASN HA H 41 4.440 4.459 -0.019 1
1 450 . 6 1 1 A 42 42 ASN C C 41 177.700 177.774 -0.074 1
1 451 . 6 1 1 A 42 42 ASN CA C 41 55.900 56.586 -0.686 1
1 452 . 6 1 1 A 42 42 ASN CB C 41 38.100 38.652 -0.552 1
1 453 . 6 1 1 A 42 42 ASN N N 41 116.300 118.470 -2.170 1
1 455 . 6 1 1 A 43 43 SER H H 42 8.130 8.292 -0.162 1
1 456 . 6 1 1 A 43 43 SER HA H 42 4.300 4.105 0.195 1
1 459 . 6 1 1 A 43 43 SER C C 42 176.600 176.478 0.122 1
1 460 . 6 1 1 A 43 43 SER CA C 42 61.200 62.252 -1.052 1
1 461 . 6 1 1 A 43 43 SER CB C 42 63.100 62.729 0.371 1
1 462 . 6 1 1 A 43 43 SER N N 42 116.300 116.192 0.108 1
1 463 . 6 1 1 A 44 44 ILE H H 43 7.940 7.572 0.368 1
1 464 . 6 1 1 A 44 44 ILE HA H 43 3.860 3.795 0.065 1
1 474 . 6 1 1 A 44 44 ILE C C 43 178.400 177.905 0.495 1
1 475 . 6 1 1 A 44 44 ILE CA C 43 64.500 64.535 -0.035 1
1 476 . 6 1 1 A 44 44 ILE CB C 43 37.900 37.774 0.126 1
1 480 . 6 1 1 A 44 44 ILE N N 43 122.500 119.158 3.342 1
1 481 . 6 1 1 A 45 45 LEU H H 44 8.070 8.299 -0.229 1
1 482 . 6 1 1 A 45 45 LEU HA H 44 3.940 3.972 -0.032 1
1 492 . 6 1 1 A 45 45 LEU C C 44 178.200 178.829 -0.629 1
1 493 . 6 1 1 A 45 45 LEU CA C 44 58.100 57.747 0.353 1
1 494 . 6 1 1 A 45 45 LEU CB C 44 41.100 40.921 0.179 1
1 498 . 6 1 1 A 45 45 LEU N N 44 119.100 123.422 -4.322 1
1 499 . 6 1 1 A 46 46 ALA H H 45 7.760 8.011 -0.251 1
1 500 . 6 1 1 A 46 46 ALA HA H 45 4.100 4.107 -0.007 1
1 504 . 6 1 1 A 46 46 ALA C C 45 178.700 178.046 0.654 1
1 505 . 6 1 1 A 46 46 ALA CA C 45 54.100 54.429 -0.329 1
1 506 . 6 1 1 A 46 46 ALA CB C 45 18.100 18.252 -0.152 1
1 507 . 6 1 1 A 46 46 ALA N N 45 117.600 121.824 -4.224 1
1 508 . 6 1 1 A 47 47 GLN H H 46 7.570 7.536 0.034 1
1 509 . 6 1 1 A 47 47 GLN HA H 46 4.270 4.399 -0.129 1
1 514 . 6 1 1 A 47 47 GLN C C 46 177.800 178.124 -0.324 1
1 515 . 6 1 1 A 47 47 GLN CA C 46 57.300 56.825 0.475 1
1 516 . 6 1 1 A 47 47 GLN CB C 46 29.500 29.191 0.309 1
1 518 . 6 1 1 A 47 47 GLN N N 46 114.300 115.518 -1.218 1
1 519 . 6 1 1 A 48 48 VAL H H 47 7.690 7.754 -0.064 1
1 520 . 6 1 1 A 48 48 VAL HA H 47 4.380 3.955 0.425 1
1 528 . 6 1 1 A 48 48 VAL C C 47 174.400 176.094 -1.694 1
1 529 . 6 1 1 A 48 48 VAL CA C 47 62.600 64.901 -2.301 1
1 530 . 6 1 1 A 48 48 VAL CB C 47 32.800 32.588 0.212 1
1 533 . 6 1 1 A 48 48 VAL N N 47 111.900 116.398 -4.498 1
1 534 . 6 1 1 A 49 49 LEU H H 48 7.480 7.715 -0.235 1
1 535 . 6 1 1 A 49 49 LEU HA H 48 4.910 4.434 0.476 1
1 545 . 6 1 1 A 49 49 LEU C C 48 177.000 175.888 1.112 1
1 546 . 6 1 1 A 49 49 LEU CA C 48 53.700 53.897 -0.197 1
1 547 . 6 1 1 A 49 49 LEU CB C 48 44.500 42.316 2.184 1
1 551 . 6 1 1 A 49 49 LEU N N 48 119.600 119.052 0.548 1
1 552 . 6 1 1 A 50 50 ASP H H 49 8.430 8.747 -0.317 1
1 553 . 6 1 1 A 50 50 ASP HA H 49 4.630 4.543 0.087 1
1 556 . 6 1 1 A 50 50 ASP C C 49 176.000 177.351 -1.351 1
1 557 . 6 1 1 A 50 50 ASP CA C 49 53.000 54.539 -1.539 1
1 558 . 6 1 1 A 50 50 ASP CB C 49 40.200 42.826 -2.626 1
1 559 . 6 1 1 A 50 50 ASP N N 49 121.200 125.249 -4.049 1
1 560 . 6 1 1 A 51 51 GLN H H 50 8.580 9.045 -0.465 1
1 561 . 6 1 1 A 51 51 GLN HA H 50 3.950 3.959 -0.009 1
1 566 . 6 1 1 A 51 51 GLN C C 50 178.800 177.674 1.126 1
1 567 . 6 1 1 A 51 51 GLN CA C 50 60.200 59.010 1.190 1
1 568 . 6 1 1 A 51 51 GLN CB C 50 28.300 28.255 0.045 1
1 570 . 6 1 1 A 51 51 GLN N N 50 118.200 126.082 -7.882 1
1 571 . 6 1 1 A 52 52 SER H H 51 8.430 8.588 -0.158 1
1 572 . 6 1 1 A 52 52 SER HA H 51 4.320 4.233 0.087 1
1 575 . 6 1 1 A 52 52 SER C C 51 177.200 176.982 0.218 1
1 576 . 6 1 1 A 52 52 SER CA C 51 61.500 61.330 0.170 1
1 577 . 6 1 1 A 52 52 SER CB C 51 62.400 62.188 0.212 1
1 578 . 6 1 1 A 52 52 SER N N 51 117.000 115.806 1.194 1
1 579 . 6 1 1 A 53 53 ALA H H 52 8.760 7.692 1.068 1
1 580 . 6 1 1 A 53 53 ALA HA H 52 3.960 4.076 -0.116 1
1 584 . 6 1 1 A 53 53 ALA C C 52 178.900 179.449 -0.549 1
1 585 . 6 1 1 A 53 53 ALA CA C 52 55.400 54.991 0.409 1
1 586 . 6 1 1 A 53 53 ALA CB C 52 19.200 18.344 0.856 1
1 587 . 6 1 1 A 53 53 ALA N N 52 127.400 123.305 4.095 1
1 588 . 6 1 1 A 54 54 ARG H H 53 8.640 8.769 -0.129 1
1 589 . 6 1 1 A 54 54 ARG HA H 53 3.880 4.056 -0.176 1
1 596 . 6 1 1 A 54 54 ARG C C 53 179.000 177.893 1.107 1
1 597 . 6 1 1 A 54 54 ARG CA C 53 59.700 59.095 0.605 1
1 598 . 6 1 1 A 54 54 ARG CB C 53 29.900 29.891 0.009 1
1 601 . 6 1 1 A 54 54 ARG N N 53 118.200 118.641 -0.441 1
1 602 . 6 1 1 A 55 55 ALA H H 54 7.960 8.461 -0.501 1
1 603 . 6 1 1 A 55 55 ALA HA H 54 4.190 4.067 0.123 1
1 607 . 6 1 1 A 55 55 ALA C C 54 180.100 179.227 0.873 1
1 608 . 6 1 1 A 55 55 ALA CA C 54 55.100 55.149 -0.049 1
1 609 . 6 1 1 A 55 55 ALA CB C 54 17.700 18.228 -0.528 1
1 610 . 6 1 1 A 55 55 ALA N N 54 122.200 120.348 1.852 1
1 611 . 6 1 1 A 56 56 ARG H H 55 7.800 7.906 -0.106 1
1 612 . 6 1 1 A 56 56 ARG HA H 55 4.160 4.114 0.046 1
1 619 . 6 1 1 A 56 56 ARG C C 55 178.900 178.359 0.541 1
1 620 . 6 1 1 A 56 56 ARG CA C 55 58.300 58.938 -0.638 1
1 621 . 6 1 1 A 56 56 ARG CB C 55 29.100 29.877 -0.777 1
1 624 . 6 1 1 A 56 56 ARG N N 55 119.100 118.807 0.293 1
1 625 . 6 1 1 A 57 57 LEU H H 56 8.390 8.262 0.128 1
1 626 . 6 1 1 A 57 57 LEU HA H 56 4.060 4.127 -0.067 1
1 635 . 6 1 1 A 57 57 LEU C C 56 178.100 178.761 -0.661 1
1 636 . 6 1 1 A 57 57 LEU CA C 56 57.800 57.502 0.298 1
1 637 . 6 1 1 A 57 57 LEU CB C 56 41.600 41.113 0.487 1
1 641 . 6 1 1 A 57 57 LEU N N 56 120.600 121.360 -0.760 1
1 642 . 6 1 1 A 58 58 SER H H 57 8.150 7.939 0.211 1
1 643 . 6 1 1 A 58 58 SER HA H 57 4.210 4.075 0.135 1
1 646 . 6 1 1 A 58 58 SER C C 57 176.500 176.150 0.350 1
1 647 . 6 1 1 A 58 58 SER CA C 57 61.800 61.852 -0.052 1
1 648 . 6 1 1 A 58 58 SER CB C 57 62.600 62.831 -0.231 1
1 649 . 6 1 1 A 58 58 SER N N 57 114.100 116.506 -2.406 1
1 650 . 6 1 1 A 59 59 ASN H H 58 7.700 7.818 -0.118 1
1 651 . 6 1 1 A 59 59 ASN HA H 58 4.580 4.476 0.104 1
1 656 . 6 1 1 A 59 59 ASN C C 58 178.000 177.418 0.582 1
1 657 . 6 1 1 A 59 59 ASN CA C 58 56.200 56.202 -0.002 1
1 658 . 6 1 1 A 59 59 ASN CB C 58 38.700 38.808 -0.108 1
1 659 . 6 1 1 A 59 59 ASN N N 58 119.500 120.680 -1.180 1
1 661 . 6 1 1 A 60 60 LEU H H 59 8.250 7.916 0.334 1
1 662 . 6 1 1 A 60 60 LEU HA H 59 4.070 4.079 -0.009 1
1 671 . 6 1 1 A 60 60 LEU C C 59 178.400 178.339 0.061 1
1 672 . 6 1 1 A 60 60 LEU CA C 59 57.500 57.999 -0.499 1
1 673 . 6 1 1 A 60 60 LEU CB C 59 42.100 41.152 0.948 1
1 677 . 6 1 1 A 60 60 LEU N N 59 123.000 120.561 2.439 1
1 678 . 6 1 1 A 61 61 ALA H H 60 8.070 8.280 -0.210 1
1 679 . 6 1 1 A 61 61 ALA HA H 60 3.910 4.519 -0.609 1
1 683 . 6 1 1 A 61 61 ALA C C 60 178.400 179.002 -0.602 1
1 684 . 6 1 1 A 61 61 ALA CA C 60 54.600 54.371 0.229 1
1 685 . 6 1 1 A 61 61 ALA CB C 60 18.200 18.466 -0.266 1
1 686 . 6 1 1 A 61 61 ALA N N 60 120.700 119.765 0.935 1
1 687 . 6 1 1 A 62 62 LEU H H 61 7.170 7.569 -0.399 1
1 688 . 6 1 1 A 62 62 LEU HA H 61 4.200 4.211 -0.011 1
1 695 . 6 1 1 A 62 62 LEU C C 61 178.300 178.935 -0.635 1
1 696 . 6 1 1 A 62 62 LEU CA C 61 56.500 56.994 -0.494 1
1 697 . 6 1 1 A 62 62 LEU CB C 61 42.100 42.662 -0.562 1
1 701 . 6 1 1 A 62 62 LEU N N 61 113.700 117.275 -3.575 1
1 702 . 6 1 1 A 63 63 VAL H H 62 7.330 7.581 -0.251 1
1 703 . 6 1 1 A 63 63 VAL HA H 62 4.380 3.934 0.446 1
1 711 . 6 1 1 A 63 63 VAL C C 62 176.200 176.092 0.108 1
1 712 . 6 1 1 A 63 63 VAL CA C 62 62.800 64.962 -2.162 1
1 713 . 6 1 1 A 63 63 VAL CB C 62 33.900 31.793 2.107 1
1 716 . 6 1 1 A 63 63 VAL N N 62 112.500 114.470 -1.970 1
1 717 . 6 1 1 A 64 64 LYS H H 63 8.710 7.942 0.768 1
1 718 . 6 1 1 A 64 64 LYS HA H 63 5.000 4.645 0.355 1
1 727 . 6 1 1 A 64 64 LYS C C 63 174.200 175.600 -1.400 1
1 728 . 6 1 1 A 64 64 LYS CA C 63 53.600 53.476 0.124 1
1 729 . 6 1 1 A 64 64 LYS CB C 63 33.400 32.505 0.895 1
1 733 . 6 1 1 A 64 64 LYS N N 63 120.400 119.377 1.023 1
1 734 . 6 1 1 A 65 65 PRO HA H 64 4.360 4.579 -0.219 1
1 741 . 6 1 1 A 65 65 PRO C C 64 179.400 177.811 1.589 1
1 742 . 6 1 1 A 65 65 PRO CA C 64 66.000 64.617 1.383 1
1 743 . 6 1 1 A 65 65 PRO CB C 64 31.400 32.043 -0.643 1
1 746 . 6 1 1 A 66 66 GLU H H 65 8.920 8.287 0.633 1
1 747 . 6 1 1 A 66 66 GLU HA H 65 4.200 4.144 0.056 1
1 752 . 6 1 1 A 66 66 GLU C C 65 179.600 178.720 0.880 1
1 753 . 6 1 1 A 66 66 GLU CA C 65 59.400 59.633 -0.233 1
1 754 . 6 1 1 A 66 66 GLU CB C 65 28.300 29.307 -1.007 1
1 756 . 6 1 1 A 66 66 GLU N N 65 118.700 118.186 0.514 1
1 757 . 6 1 1 A 67 67 LYS H H 66 8.000 7.607 0.393 1
1 758 . 6 1 1 A 67 67 LYS HA H 66 4.160 4.165 -0.005 1
1 767 . 6 1 1 A 67 67 LYS C C 66 178.400 179.025 -0.625 1
1 768 . 6 1 1 A 67 67 LYS CA C 66 58.500 58.803 -0.303 1
1 769 . 6 1 1 A 67 67 LYS CB C 66 32.300 32.035 0.265 1
1 773 . 6 1 1 A 67 67 LYS N N 66 121.300 119.302 1.998 1
1 774 . 6 1 1 A 68 68 THR H H 67 7.960 7.629 0.331 1
1 775 . 6 1 1 A 68 68 THR HA H 67 4.130 3.848 0.282 1
1 780 . 6 1 1 A 68 68 THR C C 67 176.200 176.744 -0.544 1
1 781 . 6 1 1 A 68 68 THR CA C 67 67.800 67.287 0.513 1
1 782 . 6 1 1 A 68 68 THR CB C 67 67.800 68.329 -0.529 1
1 784 . 6 1 1 A 68 68 THR N N 67 114.200 117.149 -2.949 1
1 785 . 6 1 1 A 69 69 LYS H H 68 7.770 8.079 -0.309 1
1 786 . 6 1 1 A 69 69 LYS HA H 68 3.990 4.046 -0.056 1
1 795 . 6 1 1 A 69 69 LYS C C 68 178.100 178.570 -0.470 1
1 796 . 6 1 1 A 69 69 LYS CA C 68 59.400 58.854 0.546 1
1 797 . 6 1 1 A 69 69 LYS CB C 68 31.700 32.378 -0.678 1
1 801 . 6 1 1 A 69 69 LYS N N 68 122.000 120.036 1.964 1
1 802 . 6 1 1 A 70 70 ALA H H 69 7.480 7.809 -0.329 1
1 803 . 6 1 1 A 70 70 ALA HA H 69 4.240 4.085 0.155 1
1 807 . 6 1 1 A 70 70 ALA C C 69 181.200 179.789 1.411 1
1 808 . 6 1 1 A 70 70 ALA CA C 69 55.200 55.032 0.168 1
1 809 . 6 1 1 A 70 70 ALA CB C 69 17.900 18.391 -0.491 1
1 810 . 6 1 1 A 70 70 ALA N N 69 120.300 121.878 -1.578 1
1 811 . 6 1 1 A 71 71 VAL H H 70 8.160 7.978 0.182 1
1 812 . 6 1 1 A 71 71 VAL HA H 70 3.620 3.834 -0.214 1
1 820 . 6 1 1 A 71 71 VAL C C 70 177.400 178.154 -0.754 1
1 821 . 6 1 1 A 71 71 VAL CA C 70 66.600 65.262 1.338 1
1 822 . 6 1 1 A 71 71 VAL CB C 70 31.500 31.572 -0.072 1
1 825 . 6 1 1 A 71 71 VAL N N 70 120.300 116.597 3.703 1
1 826 . 6 1 1 A 72 72 GLU H H 71 8.690 8.672 0.018 1
1 827 . 6 1 1 A 72 72 GLU HA H 71 3.800 3.970 -0.170 1
1 832 . 6 1 1 A 72 72 GLU C C 71 178.000 179.392 -1.392 1
1 833 . 6 1 1 A 72 72 GLU CA C 71 60.400 59.957 0.443 1
1 834 . 6 1 1 A 72 72 GLU CB C 71 29.200 29.194 0.006 1
1 836 . 6 1 1 A 72 72 GLU N N 71 119.300 122.085 -2.785 1
1 837 . 6 1 1 A 73 73 ASN H H 72 8.460 7.726 0.734 1
1 838 . 6 1 1 A 73 73 ASN HA H 72 4.440 4.509 -0.069 1
1 843 . 6 1 1 A 73 73 ASN C C 72 177.600 177.071 0.529 1
1 844 . 6 1 1 A 73 73 ASN CA C 72 56.200 56.343 -0.143 1
1 845 . 6 1 1 A 73 73 ASN CB C 72 37.600 38.987 -1.387 1
1 846 . 6 1 1 A 73 73 ASN N N 72 115.900 118.146 -2.246 1
1 848 . 6 1 1 A 74 74 TYR H H 73 7.940 8.218 -0.278 1
1 849 . 6 1 1 A 74 74 TYR HA H 73 4.200 4.211 -0.011 1
1 856 . 6 1 1 A 74 74 TYR C C 73 177.600 177.022 0.578 1
1 857 . 6 1 1 A 74 74 TYR CA C 73 61.500 61.456 0.044 1
1 858 . 6 1 1 A 74 74 TYR CB C 73 38.400 38.938 -0.538 1
1 863 . 6 1 1 A 74 74 TYR N N 73 122.400 120.230 2.170 1
1 864 . 6 1 1 A 75 75 LEU H H 74 8.410 8.636 -0.226 1
1 865 . 6 1 1 A 75 75 LEU HA H 74 3.930 3.748 0.182 1
1 875 . 6 1 1 A 75 75 LEU C C 74 178.500 179.140 -0.640 1
1 876 . 6 1 1 A 75 75 LEU CA C 74 58.100 57.844 0.256 1
1 877 . 6 1 1 A 75 75 LEU CB C 74 42.600 41.422 1.178 1
1 881 . 6 1 1 A 75 75 LEU N N 74 119.500 119.661 -0.161 1
1 882 . 6 1 1 A 76 76 ILE H H 75 8.400 8.094 0.306 1
1 883 . 6 1 1 A 76 76 ILE HA H 75 3.570 3.424 0.146 1
1 890 . 6 1 1 A 76 76 ILE C C 75 178.100 177.917 0.183 1
1 891 . 6 1 1 A 76 76 ILE CA C 75 65.200 65.483 -0.283 1
1 892 . 6 1 1 A 76 76 ILE CB C 75 37.800 37.840 -0.040 1
1 896 . 6 1 1 A 76 76 ILE N N 75 118.600 119.817 -1.217 1
1 897 . 6 1 1 A 77 77 GLN H H 76 7.830 8.020 -0.190 1
1 898 . 6 1 1 A 77 77 GLN HA H 76 3.920 3.892 0.028 1
1 903 . 6 1 1 A 77 77 GLN C C 76 178.100 178.509 -0.409 1
1 904 . 6 1 1 A 77 77 GLN CA C 76 59.100 58.932 0.168 1
1 905 . 6 1 1 A 77 77 GLN CB C 76 28.000 29.107 -1.107 1
1 907 . 6 1 1 A 77 77 GLN N N 76 119.300 118.962 0.338 1
1 908 . 6 1 1 A 78 78 MET H H 77 8.060 8.174 -0.114 1
1 909 . 6 1 1 A 78 78 MET HA H 77 4.040 4.163 -0.123 1
1 912 . 6 1 1 A 78 78 MET C C 77 178.700 177.957 0.743 1
1 913 . 6 1 1 A 78 78 MET CA C 77 58.600 58.044 0.556 1
1 914 . 6 1 1 A 78 78 MET CB C 77 33.000 31.968 1.032 1
1 916 . 6 1 1 A 78 78 MET N N 77 117.600 119.178 -1.578 1
1 917 . 6 1 1 A 79 79 ALA H H 78 8.210 8.259 -0.049 1
1 918 . 6 1 1 A 79 79 ALA HA H 78 4.190 3.917 0.273 1
1 922 . 6 1 1 A 79 79 ALA C C 78 180.600 179.296 1.304 1
1 923 . 6 1 1 A 79 79 ALA CA C 78 54.100 55.329 -1.229 1
1 924 . 6 1 1 A 79 79 ALA CB C 78 18.400 17.784 0.616 1
1 925 . 6 1 1 A 79 79 ALA N N 78 121.400 121.344 0.056 1
1 926 . 6 1 1 A 80 80 ARG H H 79 8.120 8.159 -0.039 1
1 927 . 6 1 1 A 80 80 ARG HA H 79 3.960 3.978 -0.018 1
1 934 . 6 1 1 A 80 80 ARG C C 79 177.900 178.046 -0.146 1
1 935 . 6 1 1 A 80 80 ARG CA C 79 58.800 58.821 -0.021 1
1 936 . 6 1 1 A 80 80 ARG CB C 79 29.900 29.423 0.477 1
1 939 . 6 1 1 A 80 80 ARG N N 79 119.100 119.637 -0.537 1
1 940 . 6 1 1 A 81 81 TYR H H 80 7.800 7.337 0.463 1
1 941 . 6 1 1 A 81 81 TYR HA H 80 4.710 4.572 0.138 1
1 948 . 6 1 1 A 81 81 TYR C C 80 176.500 176.258 0.242 1
1 949 . 6 1 1 A 81 81 TYR CA C 80 57.500 57.952 -0.452 1
1 950 . 6 1 1 A 81 81 TYR CB C 80 38.100 38.719 -0.619 1
1 955 . 6 1 1 A 81 81 TYR N N 80 115.900 116.054 -0.154 1
1 956 . 6 1 1 A 82 82 GLY H H 81 7.850 7.757 0.093 1
1 957 . 6 1 1 A 82 82 GLY HA2 H 81 4.030 3.972 0.058 1
1 958 . 6 1 1 A 82 82 GLY HA3 H 81 4.030 3.988 0.042 1
1 959 . 6 1 1 A 82 82 GLY C C 81 174.900 175.291 -0.391 1
1 960 . 6 1 1 A 82 82 GLY CA C 81 46.300 46.553 -0.253 1
1 961 . 6 1 1 A 82 82 GLY N N 81 108.500 108.558 -0.058 1
1 962 . 6 1 1 A 83 83 GLN H H 82 8.200 7.993 0.207 1
1 963 . 6 1 1 A 83 83 GLN HA H 82 4.310 4.349 -0.039 1
1 968 . 6 1 1 A 83 83 GLN C C 82 175.500 175.740 -0.240 1
1 969 . 6 1 1 A 83 83 GLN CA C 82 55.700 55.886 -0.186 1
1 970 . 6 1 1 A 83 83 GLN CB C 82 29.400 28.661 0.739 1
1 972 . 6 1 1 A 83 83 GLN N N 82 116.900 117.435 -0.535 1
1 973 . 6 1 1 A 84 84 LEU H H 83 7.990 7.449 0.541 1
1 974 . 6 1 1 A 84 84 LEU HA H 83 4.610 4.231 0.379 1
1 984 . 6 1 1 A 84 84 LEU C C 83 176.500 176.480 0.020 1
1 985 . 6 1 1 A 84 84 LEU CA C 83 54.300 55.414 -1.114 1
1 986 . 6 1 1 A 84 84 LEU CB C 83 42.600 41.419 1.181 1
1 990 . 6 1 1 A 84 84 LEU N N 83 121.400 122.686 -1.286 1
1 991 . 6 1 1 A 85 85 SER H H 84 8.630 8.904 -0.274 1
1 992 . 6 1 1 A 85 85 SER HA H 84 4.410 4.569 -0.159 1
1 995 . 6 1 1 A 85 85 SER C C 84 173.700 174.162 -0.462 1
1 996 . 6 1 1 A 85 85 SER CA C 84 59.400 60.296 -0.896 1
1 997 . 6 1 1 A 85 85 SER CB C 84 63.900 64.262 -0.362 1
1 998 . 6 1 1 A 85 85 SER N N 84 118.400 119.811 -1.411 1
1 999 . 6 1 1 A 86 86 GLU H H 85 7.690 7.653 0.037 1
1 1000 . 6 1 1 A 86 86 GLU HA H 85 4.530 4.762 -0.232 1
1 1005 . 6 1 1 A 86 86 GLU C C 85 175.400 175.774 -0.374 1
1 1006 . 6 1 1 A 86 86 GLU CA C 85 54.900 54.559 0.341 1
1 1007 . 6 1 1 A 86 86 GLU CB C 85 31.200 33.636 -2.436 1
1 1009 . 6 1 1 A 86 86 GLU N N 85 119.400 117.856 1.544 1
1 1010 . 6 1 1 A 87 87 LYS H H 86 8.380 8.333 0.047 1
1 1011 . 6 1 1 A 87 87 LYS HA H 86 4.230 4.524 -0.294 1
1 1018 . 6 1 1 A 87 87 LYS C C 86 176.900 177.172 -0.272 1
1 1019 . 6 1 1 A 87 87 LYS CA C 86 57.000 56.483 0.517 1
1 1020 . 6 1 1 A 87 87 LYS CB C 86 33.300 33.115 0.185 1
1 1024 . 6 1 1 A 87 87 LYS N N 86 120.400 121.060 -0.660 1
1 1025 . 6 1 1 A 88 88 VAL H H 87 8.960 9.162 -0.202 1
1 1026 . 6 1 1 A 88 88 VAL HA H 87 3.970 4.194 -0.224 1
1 1034 . 6 1 1 A 88 88 VAL C C 87 174.700 175.832 -1.132 1
1 1035 . 6 1 1 A 88 88 VAL CA C 87 63.300 63.222 0.078 1
1 1036 . 6 1 1 A 88 88 VAL CB C 87 32.400 31.443 0.957 1
1 1038 . 6 1 1 A 88 88 VAL N N 87 125.200 123.565 1.635 1
1 1039 . 6 1 1 A 89 89 SER H H 88 8.190 8.992 -0.802 1
1 1040 . 6 1 1 A 89 89 SER HA H 88 4.990 4.597 0.393 1
1 1043 . 6 1 1 A 89 89 SER C C 88 175.700 175.769 -0.069 1
1 1044 . 6 1 1 A 89 89 SER CA C 88 56.200 57.769 -1.569 1
1 1045 . 6 1 1 A 89 89 SER CB C 88 66.600 64.514 2.086 1
1 1046 . 6 1 1 A 89 89 SER N N 88 121.700 122.797 -1.097 1
1 1047 . 6 1 1 A 90 90 GLU H H 89 9.230 8.856 0.374 1
1 1048 . 6 1 1 A 90 90 GLU HA H 89 3.720 4.029 -0.309 1
1 1053 . 6 1 1 A 90 90 GLU C C 89 177.700 178.411 -0.711 1
1 1054 . 6 1 1 A 90 90 GLU CA C 89 61.200 59.831 1.369 1
1 1055 . 6 1 1 A 90 90 GLU CB C 89 29.100 29.580 -0.480 1
1 1057 . 6 1 1 A 90 90 GLU N N 89 121.600 123.884 -2.284 1
1 1058 . 6 1 1 A 91 91 GLN H H 90 8.430 8.226 0.204 1
1 1059 . 6 1 1 A 91 91 GLN HA H 90 4.040 4.083 -0.043 1
1 1066 . 6 1 1 A 91 91 GLN C C 90 178.900 179.574 -0.674 1
1 1067 . 6 1 1 A 91 91 GLN CA C 90 59.100 58.812 0.288 1
1 1068 . 6 1 1 A 91 91 GLN CB C 90 27.800 28.474 -0.674 1
1 1070 . 6 1 1 A 91 91 GLN N N 90 117.100 118.206 -1.106 1
1 1072 . 6 1 1 A 92 92 GLY H H 91 8.080 8.269 -0.189 1
1 1073 . 6 1 1 A 92 92 GLY HA2 H 91 3.890 3.599 0.291 1
1 1074 . 6 1 1 A 92 92 GLY HA3 H 91 3.890 3.604 0.286 1
1 1075 . 6 1 1 A 92 92 GLY C C 91 176.600 176.186 0.414 1
1 1076 . 6 1 1 A 92 92 GLY CA C 91 46.900 47.447 -0.547 1
1 1077 . 6 1 1 A 92 92 GLY N N 91 109.400 108.988 0.412 1
1 1078 . 6 1 1 A 93 93 LEU H H 92 8.610 8.297 0.313 1
1 1079 . 6 1 1 A 93 93 LEU HA H 92 4.000 4.185 -0.185 1
1 1089 . 6 1 1 A 93 93 LEU C C 92 178.000 178.344 -0.344 1
1 1090 . 6 1 1 A 93 93 LEU CA C 92 57.500 57.145 0.355 1
1 1091 . 6 1 1 A 93 93 LEU CB C 92 41.800 41.447 0.353 1
1 1095 . 6 1 1 A 93 93 LEU N N 92 123.700 122.385 1.315 1
1 1096 . 6 1 1 A 94 94 ILE H H 93 7.970 8.459 -0.489 1
1 1097 . 6 1 1 A 94 94 ILE HA H 93 3.640 3.490 0.150 1
1 1107 . 6 1 1 A 94 94 ILE C C 93 178.500 177.777 0.723 1
1 1108 . 6 1 1 A 94 94 ILE CA C 93 64.800 65.426 -0.626 1
1 1109 . 6 1 1 A 94 94 ILE CB C 93 37.100 37.660 -0.560 1
1 1113 . 6 1 1 A 94 94 ILE N N 93 119.900 119.500 0.400 1
1 1114 . 6 1 1 A 95 95 GLU H H 94 7.610 7.854 -0.244 1
1 1115 . 6 1 1 A 95 95 GLU HA H 94 4.090 3.965 0.125 1
1 1120 . 6 1 1 A 95 95 GLU C C 94 179.400 180.014 -0.614 1
1 1121 . 6 1 1 A 95 95 GLU CA C 94 59.200 59.179 0.021 1
1 1122 . 6 1 1 A 95 95 GLU CB C 94 28.800 29.426 -0.626 1
1 1124 . 6 1 1 A 95 95 GLU N N 94 118.800 118.926 -0.126 1
1 1125 . 6 1 1 A 96 96 ILE H H 95 7.840 7.569 0.271 1
1 1126 . 6 1 1 A 96 96 ILE HA H 95 3.520 3.579 -0.059 1
1 1136 . 6 1 1 A 96 96 ILE C C 95 177.500 177.890 -0.390 1
1 1137 . 6 1 1 A 96 96 ILE CA C 95 65.500 64.678 0.822 1
1 1138 . 6 1 1 A 96 96 ILE CB C 95 37.900 37.519 0.381 1
1 1142 . 6 1 1 A 96 96 ILE N N 95 121.600 120.851 0.749 1
1 1143 . 6 1 1 A 97 97 LEU H H 96 8.620 8.389 0.231 1
1 1144 . 6 1 1 A 97 97 LEU HA H 96 3.800 3.980 -0.180 1
1 1151 . 6 1 1 A 97 97 LEU C C 96 179.400 178.583 0.817 1
1 1152 . 6 1 1 A 97 97 LEU CA C 96 58.600 58.537 0.063 1
1 1153 . 6 1 1 A 97 97 LEU CB C 96 41.500 41.698 -0.198 1
1 1156 . 6 1 1 A 97 97 LEU N N 96 120.400 121.230 -0.830 1
1 1157 . 6 1 1 A 98 98 LYS H H 97 7.750 8.172 -0.422 1
1 1158 . 6 1 1 A 98 98 LYS HA H 97 3.990 3.898 0.092 1
1 1167 . 6 1 1 A 98 98 LYS C C 97 178.600 178.922 -0.322 1
1 1168 . 6 1 1 A 98 98 LYS CA C 97 59.400 60.154 -0.754 1
1 1169 . 6 1 1 A 98 98 LYS CB C 97 32.300 31.811 0.489 1
1 1172 . 6 1 1 A 98 98 LYS N N 97 119.000 119.226 -0.226 1
1 1173 . 6 1 1 A 99 99 LYS H H 98 7.710 7.435 0.275 1
1 1174 . 6 1 1 A 99 99 LYS HA H 98 4.110 4.147 -0.037 1
1 1183 . 6 1 1 A 99 99 LYS C C 98 179.100 178.687 0.413 1
1 1184 . 6 1 1 A 99 99 LYS CA C 98 59.100 58.990 0.110 1
1 1185 . 6 1 1 A 99 99 LYS CB C 98 32.500 32.061 0.439 1
1 1189 . 6 1 1 A 99 99 LYS N N 98 119.500 120.704 -1.204 1
1 1190 . 6 1 1 A 100 100 VAL H H 99 8.210 7.672 0.538 1
1 1191 . 6 1 1 A 100 100 VAL HA H 99 3.920 4.036 -0.116 1
1 1196 . 6 1 1 A 100 100 VAL C C 99 177.600 177.233 0.367 1
1 1197 . 6 1 1 A 100 100 VAL CA C 99 64.200 64.418 -0.218 1
1 1198 . 6 1 1 A 100 100 VAL CB C 99 31.500 31.286 0.214 1
1 1200 . 6 1 1 A 100 100 VAL N N 99 115.800 116.635 -0.835 1
1 1201 . 6 1 1 A 101 101 SER H H 100 7.900 7.916 -0.016 1
1 1202 . 6 1 1 A 101 101 SER HA H 100 4.340 4.427 -0.087 1
1 1205 . 6 1 1 A 101 101 SER C C 100 174.600 175.586 -0.986 1
1 1206 . 6 1 1 A 101 101 SER CA C 100 60.400 60.812 -0.412 1
1 1207 . 6 1 1 A 101 101 SER CB C 100 63.600 63.286 0.314 1
1 1208 . 6 1 1 A 101 101 SER N N 100 116.500 117.834 -1.334 1
1 1209 . 6 1 1 A 102 102 GLN H H 101 7.860 7.499 0.361 1
1 1210 . 6 1 1 A 102 102 GLN HA H 101 4.280 4.304 -0.024 1
1 1215 . 6 1 1 A 102 102 GLN C C 101 176.400 176.755 -0.355 1
1 1216 . 6 1 1 A 102 102 GLN CA C 101 56.800 57.523 -0.723 1
1 1217 . 6 1 1 A 102 102 GLN CB C 101 28.900 29.946 -1.046 1
1 1219 . 6 1 1 A 102 102 GLN N N 101 120.100 119.516 0.584 1
1 1220 . 6 1 1 A 103 103 GLN H H 102 8.080 8.190 -0.110 1
1 1221 . 6 1 1 A 103 103 GLN HA H 102 4.360 4.608 -0.248 1
1 1226 . 6 1 1 A 103 103 GLN C C 102 176.500 176.615 -0.115 1
1 1227 . 6 1 1 A 103 103 GLN CA C 102 56.700 56.537 0.163 1
1 1228 . 6 1 1 A 103 103 GLN CB C 102 29.000 30.547 -1.547 1
1 1230 . 6 1 1 A 103 103 GLN N N 102 119.700 114.325 5.375 1
1 1231 . 6 1 1 A 104 104 THR H H 103 8.070 7.915 0.155 1
1 1232 . 6 1 1 A 104 104 THR HA H 103 4.350 4.523 -0.173 1
1 1237 . 6 1 1 A 104 104 THR C C 103 174.700 174.053 0.647 1
1 1238 . 6 1 1 A 104 104 THR CA C 103 62.500 63.490 -0.990 1
1 1239 . 6 1 1 A 104 104 THR CB C 103 69.800 71.023 -1.223 1
1 1241 . 6 1 1 A 104 104 THR N N 103 113.900 109.099 4.801 1
1 1242 . 6 1 1 A 105 105 GLU H H 104 8.290 7.939 0.351 1
1 1243 . 6 1 1 A 105 105 GLU HA H 104 4.350 4.511 -0.161 1
1 1248 . 6 1 1 A 105 105 GLU C C 104 176.300 175.283 1.017 1
1 1249 . 6 1 1 A 105 105 GLU CA C 104 56.700 54.913 1.787 1
1 1250 . 6 1 1 A 105 105 GLU CB C 104 29.900 33.458 -3.558 1
1 1252 . 6 1 1 A 105 105 GLU N N 104 122.900 116.903 5.997 1
1 1253 . 6 1 1 A 106 106 LYS H H 105 8.320 8.745 -0.425 1
1 1254 . 6 1 1 A 106 106 LYS HA H 105 4.390 3.751 0.639 1
1 1263 . 6 1 1 A 106 106 LYS C C 105 176.800 177.029 -0.229 1
1 1264 . 6 1 1 A 106 106 LYS CA C 105 56.700 56.976 -0.276 1
1 1265 . 6 1 1 A 106 106 LYS CB C 105 32.800 29.935 2.865 1
1 1269 . 6 1 1 A 106 106 LYS N N 105 121.900 119.141 2.759 1
1 1270 . 6 1 1 A 107 107 THR H H 106 8.150 8.083 0.067 1
1 1271 . 6 1 1 A 107 107 THR HA H 106 4.430 4.335 0.095 1
1 1276 . 6 1 1 A 107 107 THR C C 106 174.600 174.989 -0.389 1
1 1277 . 6 1 1 A 107 107 THR CA C 106 62.000 62.957 -0.957 1
1 1278 . 6 1 1 A 107 107 THR CB C 106 70.000 68.797 1.203 1
1 1280 . 6 1 1 A 107 107 THR N N 106 115.000 111.317 3.683 1
1 1281 . 6 1 1 A 108 108 THR H H 107 8.190 7.726 0.464 1
1 1282 . 6 1 1 A 108 108 THR HA H 107 4.440 4.693 -0.253 1
1 1287 . 6 1 1 A 108 108 THR C C 107 174.500 174.049 0.451 1
1 1288 . 6 1 1 A 108 108 THR CA C 107 62.000 61.056 0.944 1
1 1289 . 6 1 1 A 108 108 THR CB C 107 69.800 68.425 1.375 1
1 1291 . 6 1 1 A 108 108 THR N N 107 116.500 115.379 1.121 1
1 1292 . 6 1 1 A 109 109 THR H H 108 8.170 7.275 0.895 1
1 1293 . 6 1 1 A 109 109 THR HA H 108 4.350 4.115 0.235 1
1 1298 . 6 1 1 A 109 109 THR C C 108 174.200 174.362 -0.162 1
1 1299 . 6 1 1 A 109 109 THR CA C 108 62.000 64.239 -2.239 1
1 1300 . 6 1 1 A 109 109 THR CB C 108 69.800 69.498 0.302 1
1 1302 . 6 1 1 A 109 109 THR N N 108 117.200 117.403 -0.203 1
1 1303 . 6 1 1 A 110 110 VAL H H 109 8.100 8.757 -0.657 1
1 1304 . 6 1 1 A 110 110 VAL HA H 109 4.040 4.723 -0.683 1
1 1312 . 6 1 1 A 110 110 VAL C C 109 175.200 175.151 0.049 1
1 1313 . 6 1 1 A 110 110 VAL CA C 109 62.300 60.851 1.449 1
1 1314 . 6 1 1 A 110 110 VAL CB C 109 32.600 32.822 -0.222 1
1 1316 . 6 1 1 A 110 110 VAL N N 109 123.100 123.718 -0.618 1
1 1317 . 6 1 1 A 111 111 LYS H H 110 8.200 8.586 -0.386 1
1 1318 . 6 1 1 A 111 111 LYS HA H 110 4.310 5.136 -0.826 1
1 1327 . 6 1 1 A 111 111 LYS C C 110 175.700 175.109 0.591 1
1 1328 . 6 1 1 A 111 111 LYS CA C 110 55.700 55.141 0.559 1
1 1329 . 6 1 1 A 111 111 LYS CB C 110 33.300 34.700 -1.400 1
1 1333 . 6 1 1 A 111 111 LYS N N 110 125.200 126.838 -1.638 1
1 1334 . 6 1 1 A 112 112 PHE H H 111 8.310 8.650 -0.340 1
1 1335 . 6 1 1 A 112 112 PHE HA H 111 4.650 4.841 -0.191 1
1 1338 . 6 1 1 A 112 112 PHE C C 111 174.500 173.871 0.629 1
1 1339 . 6 1 1 A 112 112 PHE CA C 111 57.500 58.304 -0.804 1
1 1340 . 6 1 1 A 112 112 PHE CB C 111 39.700 41.602 -1.902 1
1 1341 . 6 1 1 A 112 112 PHE N N 111 122.100 123.382 -1.282 1
1 1 . 7 1 1 A 2 2 SER H H 1 8.780 8.454 0.326 1
1 2 . 7 1 1 A 2 2 SER HA H 1 4.480 4.583 -0.103 1
1 5 . 7 1 1 A 2 2 SER C C 1 175.000 175.074 -0.074 1
1 6 . 7 1 1 A 2 2 SER CA C 1 59.100 58.952 0.148 1
1 7 . 7 1 1 A 2 2 SER CB C 1 63.900 63.525 0.375 1
1 8 . 7 1 1 A 2 2 SER N N 1 116.600 118.425 -1.825 1
1 9 . 7 1 1 A 3 3 ALA H H 2 8.710 9.026 -0.316 1
1 10 . 7 1 1 A 3 3 ALA HA H 2 4.310 3.982 0.328 1
1 14 . 7 1 1 A 3 3 ALA C C 2 178.800 179.531 -0.731 1
1 15 . 7 1 1 A 3 3 ALA CA C 2 53.800 55.449 -1.649 1
1 16 . 7 1 1 A 3 3 ALA CB C 2 18.500 18.259 0.241 1
1 17 . 7 1 1 A 3 3 ALA N N 2 125.500 127.594 -2.094 1
1 18 . 7 1 1 A 4 4 ASP H H 3 8.190 8.327 -0.137 1
1 19 . 7 1 1 A 4 4 ASP HA H 3 4.500 4.345 0.155 1
1 22 . 7 1 1 A 4 4 ASP C C 3 177.700 178.579 -0.879 1
1 23 . 7 1 1 A 4 4 ASP CA C 3 55.900 57.895 -1.995 1
1 24 . 7 1 1 A 4 4 ASP CB C 3 40.500 41.934 -1.434 1
1 25 . 7 1 1 A 4 4 ASP N N 3 117.800 118.448 -0.648 1
1 26 . 7 1 1 A 5 5 GLU H H 4 8.150 8.180 -0.030 1
1 27 . 7 1 1 A 5 5 GLU HA H 4 4.140 4.035 0.105 1
1 32 . 7 1 1 A 5 5 GLU C C 4 178.600 178.952 -0.352 1
1 33 . 7 1 1 A 5 5 GLU CA C 4 58.600 59.597 -0.997 1
1 34 . 7 1 1 A 5 5 GLU CB C 4 29.100 29.133 -0.033 1
1 36 . 7 1 1 A 5 5 GLU N N 4 120.800 119.202 1.598 1
1 37 . 7 1 1 A 6 6 GLU H H 5 8.250 8.595 -0.345 1
1 38 . 7 1 1 A 6 6 GLU HA H 5 4.200 4.002 0.198 1
1 43 . 7 1 1 A 6 6 GLU C C 5 178.300 179.003 -0.703 1
1 44 . 7 1 1 A 6 6 GLU CA C 5 58.600 59.185 -0.585 1
1 45 . 7 1 1 A 6 6 GLU CB C 5 28.800 28.951 -0.151 1
1 47 . 7 1 1 A 6 6 GLU N N 5 120.800 119.036 1.764 1
1 48 . 7 1 1 A 7 7 LEU H H 6 7.990 8.167 -0.177 1
1 49 . 7 1 1 A 7 7 LEU HA H 6 4.170 4.061 0.109 1
1 58 . 7 1 1 A 7 7 LEU C C 6 179.500 178.277 1.223 1
1 59 . 7 1 1 A 7 7 LEU CA C 6 57.500 57.876 -0.376 1
1 60 . 7 1 1 A 7 7 LEU CB C 6 41.600 41.721 -0.121 1
1 64 . 7 1 1 A 7 7 LEU N N 6 120.900 121.498 -0.598 1
1 65 . 7 1 1 A 8 8 GLU H H 7 8.130 8.197 -0.067 1
1 66 . 7 1 1 A 8 8 GLU HA H 7 4.160 4.025 0.135 1
1 71 . 7 1 1 A 8 8 GLU C C 7 178.300 178.752 -0.452 1
1 72 . 7 1 1 A 8 8 GLU CA C 7 58.800 59.395 -0.595 1
1 73 . 7 1 1 A 8 8 GLU CB C 7 28.800 29.197 -0.397 1
1 75 . 7 1 1 A 8 8 GLU N N 7 120.100 119.072 1.028 1
1 76 . 7 1 1 A 9 9 ALA H H 8 8.030 8.558 -0.528 1
1 77 . 7 1 1 A 9 9 ALA HA H 8 4.090 4.136 -0.046 1
1 81 . 7 1 1 A 9 9 ALA C C 8 180.500 180.662 -0.162 1
1 82 . 7 1 1 A 9 9 ALA CA C 8 55.100 55.066 0.034 1
1 83 . 7 1 1 A 9 9 ALA CB C 8 17.900 17.976 -0.076 1
1 84 . 7 1 1 A 9 9 ALA N N 8 122.100 122.367 -0.267 1
1 85 . 7 1 1 A 10 10 LEU H H 9 7.890 8.276 -0.386 1
1 86 . 7 1 1 A 10 10 LEU HA H 9 4.160 4.103 0.057 1
1 95 . 7 1 1 A 10 10 LEU C C 9 179.200 178.453 0.747 1
1 96 . 7 1 1 A 10 10 LEU CA C 9 57.500 57.582 -0.082 1
1 97 . 7 1 1 A 10 10 LEU CB C 9 41.800 41.749 0.051 1
1 101 . 7 1 1 A 10 10 LEU N N 9 119.500 121.036 -1.536 1
1 102 . 7 1 1 A 11 11 ARG H H 10 8.080 7.974 0.106 1
1 103 . 7 1 1 A 11 11 ARG HA H 10 4.010 3.843 0.167 1
1 110 . 7 1 1 A 11 11 ARG C C 10 178.900 178.959 -0.059 1
1 111 . 7 1 1 A 11 11 ARG CA C 10 59.400 59.759 -0.359 1
1 112 . 7 1 1 A 11 11 ARG CB C 10 30.100 29.625 0.475 1
1 115 . 7 1 1 A 11 11 ARG N N 10 120.400 118.876 1.524 1
1 116 . 7 1 1 A 12 12 ARG H H 11 8.170 8.318 -0.148 1
1 117 . 7 1 1 A 12 12 ARG HA H 11 4.040 4.102 -0.062 1
1 124 . 7 1 1 A 12 12 ARG C C 11 178.900 178.886 0.014 1
1 125 . 7 1 1 A 12 12 ARG CA C 11 59.300 59.614 -0.314 1
1 126 . 7 1 1 A 12 12 ARG CB C 11 30.000 29.934 0.066 1
1 129 . 7 1 1 A 12 12 ARG N N 11 118.400 118.328 0.072 1
1 130 . 7 1 1 A 13 13 GLN H H 12 8.060 8.037 0.023 1
1 131 . 7 1 1 A 13 13 GLN HA H 12 4.150 4.005 0.145 1
1 136 . 7 1 1 A 13 13 GLN C C 12 177.900 178.684 -0.784 1
1 137 . 7 1 1 A 13 13 GLN CA C 12 58.600 59.137 -0.537 1
1 138 . 7 1 1 A 13 13 GLN CB C 12 28.500 28.204 0.296 1
1 140 . 7 1 1 A 13 13 GLN N N 12 120.400 119.244 1.156 1
1 141 . 7 1 1 A 14 14 ARG H H 13 8.180 8.188 -0.008 1
1 142 . 7 1 1 A 14 14 ARG HA H 13 4.160 4.218 -0.058 1
1 149 . 7 1 1 A 14 14 ARG C C 13 178.600 178.940 -0.340 1
1 150 . 7 1 1 A 14 14 ARG CA C 13 58.600 58.958 -0.358 1
1 151 . 7 1 1 A 14 14 ARG CB C 13 29.900 29.770 0.130 1
1 154 . 7 1 1 A 14 14 ARG N N 13 119.900 119.261 0.639 1
1 155 . 7 1 1 A 15 15 LEU H H 14 7.980 8.340 -0.360 1
1 156 . 7 1 1 A 15 15 LEU HA H 14 4.180 4.083 0.097 1
1 165 . 7 1 1 A 15 15 LEU C C 14 178.800 178.340 0.460 1
1 166 . 7 1 1 A 15 15 LEU CA C 14 57.300 57.738 -0.438 1
1 167 . 7 1 1 A 15 15 LEU CB C 14 41.700 41.301 0.399 1
1 171 . 7 1 1 A 15 15 LEU N N 14 119.900 121.521 -1.621 1
1 172 . 7 1 1 A 16 16 ALA H H 15 7.930 8.707 -0.777 1
1 173 . 7 1 1 A 16 16 ALA HA H 15 4.190 3.985 0.205 1
1 177 . 7 1 1 A 16 16 ALA C C 15 180.100 179.566 0.534 1
1 178 . 7 1 1 A 16 16 ALA CA C 15 54.500 55.320 -0.820 1
1 179 . 7 1 1 A 16 16 ALA CB C 15 18.000 17.820 0.180 1
1 180 . 7 1 1 A 16 16 ALA N N 15 122.000 120.666 1.334 1
1 181 . 7 1 1 A 17 17 GLU H H 16 8.010 8.180 -0.170 1
1 182 . 7 1 1 A 17 17 GLU HA H 16 4.160 4.018 0.142 1
1 187 . 7 1 1 A 17 17 GLU C C 16 178.100 179.240 -1.140 1
1 188 . 7 1 1 A 17 17 GLU CA C 16 58.100 59.551 -1.451 1
1 189 . 7 1 1 A 17 17 GLU CB C 16 28.900 29.482 -0.582 1
1 191 . 7 1 1 A 17 17 GLU N N 16 118.500 118.310 0.190 1
1 192 . 7 1 1 A 18 18 LEU H H 17 7.890 7.775 0.115 1
1 193 . 7 1 1 A 18 18 LEU HA H 17 4.200 4.081 0.119 1
1 203 . 7 1 1 A 18 18 LEU C C 17 178.700 178.008 0.692 1
1 204 . 7 1 1 A 18 18 LEU CA C 17 56.900 57.639 -0.739 1
1 205 . 7 1 1 A 18 18 LEU CB C 17 42.100 41.786 0.314 1
1 209 . 7 1 1 A 18 18 LEU N N 17 120.400 121.700 -1.300 1
1 210 . 7 1 1 A 19 19 GLN H H 18 8.020 7.308 0.712 1
1 211 . 7 1 1 A 19 19 GLN HA H 18 4.200 4.432 -0.232 1
1 216 . 7 1 1 A 19 19 GLN C C 18 176.700 175.904 0.796 1
1 217 . 7 1 1 A 19 19 GLN CA C 18 56.900 55.334 1.566 1
1 218 . 7 1 1 A 19 19 GLN CB C 18 28.800 28.738 0.062 1
1 220 . 7 1 1 A 19 19 GLN N N 18 118.500 116.345 2.155 1
1 221 . 7 1 1 A 20 20 ALA H H 19 7.850 7.868 -0.018 1
1 222 . 7 1 1 A 20 20 ALA HA H 19 4.240 4.117 0.123 1
1 226 . 7 1 1 A 20 20 ALA C C 19 178.000 175.659 2.341 1
1 227 . 7 1 1 A 20 20 ALA CA C 19 53.100 54.428 -1.328 1
1 228 . 7 1 1 A 20 20 ALA CB C 19 18.700 18.099 0.601 1
1 229 . 7 1 1 A 20 20 ALA N N 19 122.700 121.662 1.038 1
1 230 . 7 1 1 A 21 21 LYS H H 20 7.950 8.911 -0.961 1
1 231 . 7 1 1 A 21 21 LYS HA H 20 4.260 5.014 -0.754 1
1 238 . 7 1 1 A 21 21 LYS C C 20 176.600 175.210 1.390 1
1 239 . 7 1 1 A 21 21 LYS CA C 20 56.500 54.551 1.949 1
1 240 . 7 1 1 A 21 21 LYS CB C 20 32.600 36.363 -3.763 1
1 244 . 7 1 1 A 21 21 LYS N N 20 118.800 119.524 -0.724 1
1 245 . 7 1 1 A 22 22 HIS H H 21 8.320 8.836 -0.516 1
1 246 . 7 1 1 A 22 22 HIS HA H 21 4.730 5.063 -0.333 1
1 249 . 7 1 1 A 22 22 HIS C C 21 174.800 175.134 -0.334 1
1 250 . 7 1 1 A 22 22 HIS CA C 21 55.400 54.157 1.243 1
1 251 . 7 1 1 A 22 22 HIS CB C 21 28.800 30.139 -1.339 1
1 252 . 7 1 1 A 22 22 HIS N N 21 118.600 121.368 -2.768 1
1 253 . 7 1 1 A 23 23 GLY H H 22 8.360 8.883 -0.523 1
1 254 . 7 1 1 A 23 23 GLY HA2 H 22 3.960 3.904 0.056 1
1 255 . 7 1 1 A 23 23 GLY HA3 H 22 3.960 3.973 -0.013 1
1 256 . 7 1 1 A 23 23 GLY C C 22 173.200 173.432 -0.232 1
1 257 . 7 1 1 A 23 23 GLY CA C 22 45.000 45.499 -0.499 1
1 258 . 7 1 1 A 23 23 GLY N N 22 109.600 114.024 -4.424 1
1 259 . 7 1 1 A 24 24 ASP H H 23 8.320 7.788 0.532 1
1 260 . 7 1 1 A 24 24 ASP HA H 23 4.940 4.793 0.147 1
1 263 . 7 1 1 A 24 24 ASP C C 23 174.900 176.447 -1.547 1
1 264 . 7 1 1 A 24 24 ASP CA C 23 52.200 52.208 -0.008 1
1 265 . 7 1 1 A 24 24 ASP CB C 23 41.300 41.612 -0.312 1
1 266 . 7 1 1 A 24 24 ASP N N 23 121.600 118.273 3.327 1
1 267 . 7 1 1 A 25 25 PRO HA H 24 4.430 4.623 -0.193 1
1 274 . 7 1 1 A 25 25 PRO C C 24 177.800 176.144 1.656 1
1 275 . 7 1 1 A 25 25 PRO CA C 24 64.100 63.454 0.646 1
1 276 . 7 1 1 A 25 25 PRO CB C 24 31.900 31.612 0.288 1
1 279 . 7 1 1 A 26 26 GLY H H 25 8.520 8.139 0.381 1
1 280 . 7 1 1 A 26 26 GLY HA2 H 25 3.940 4.094 -0.154 1
1 281 . 7 1 1 A 26 26 GLY HA3 H 25 3.940 4.135 -0.195 1
1 282 . 7 1 1 A 26 26 GLY C C 25 174.400 174.825 -0.425 1
1 283 . 7 1 1 A 26 26 GLY CA C 25 45.500 44.636 0.864 1
1 284 . 7 1 1 A 26 26 GLY N N 25 108.300 110.065 -1.765 1
1 285 . 7 1 1 A 27 27 ASP H H 26 8.100 8.876 -0.776 1
1 286 . 7 1 1 A 27 27 ASP HA H 26 4.610 4.290 0.320 1
1 289 . 7 1 1 A 27 27 ASP C C 26 176.900 177.690 -0.790 1
1 290 . 7 1 1 A 27 27 ASP CA C 26 54.800 57.684 -2.884 1
1 291 . 7 1 1 A 27 27 ASP CB C 26 40.800 41.123 -0.323 1
1 292 . 7 1 1 A 27 27 ASP N N 26 120.700 120.063 0.637 1
1 293 . 7 1 1 A 28 28 ALA H H 27 8.320 8.068 0.252 1
1 294 . 7 1 1 A 28 28 ALA HA H 27 4.180 4.080 0.100 1
1 298 . 7 1 1 A 28 28 ALA C C 27 179.300 180.004 -0.704 1
1 299 . 7 1 1 A 28 28 ALA CA C 27 54.600 54.837 -0.237 1
1 300 . 7 1 1 A 28 28 ALA CB C 27 18.400 18.425 -0.025 1
1 301 . 7 1 1 A 28 28 ALA N N 27 124.100 121.380 2.720 1
1 302 . 7 1 1 A 29 29 ALA H H 28 8.250 7.783 0.467 1
1 303 . 7 1 1 A 29 29 ALA HA H 28 4.230 4.019 0.211 1
1 307 . 7 1 1 A 29 29 ALA C C 28 180.000 179.764 0.236 1
1 308 . 7 1 1 A 29 29 ALA CA C 28 54.300 55.160 -0.860 1
1 309 . 7 1 1 A 29 29 ALA CB C 28 18.200 17.963 0.237 1
1 310 . 7 1 1 A 29 29 ALA N N 28 121.200 120.622 0.578 1
1 311 . 7 1 1 A 30 30 GLN H H 29 8.120 7.462 0.658 1
1 312 . 7 1 1 A 30 30 GLN HA H 29 4.230 4.115 0.115 1
1 317 . 7 1 1 A 30 30 GLN C C 29 177.900 178.263 -0.363 1
1 318 . 7 1 1 A 30 30 GLN CA C 29 57.800 58.709 -0.909 1
1 319 . 7 1 1 A 30 30 GLN CB C 29 28.600 28.678 -0.078 1
1 321 . 7 1 1 A 30 30 GLN N N 29 118.800 117.911 0.889 1
1 322 . 7 1 1 A 31 31 GLN H H 30 8.240 8.085 0.155 1
1 323 . 7 1 1 A 31 31 GLN HA H 30 4.120 4.030 0.090 1
1 328 . 7 1 1 A 31 31 GLN C C 30 178.100 178.442 -0.342 1
1 329 . 7 1 1 A 31 31 GLN CA C 30 58.000 59.239 -1.239 1
1 330 . 7 1 1 A 31 31 GLN CB C 30 28.500 28.285 0.215 1
1 332 . 7 1 1 A 31 31 GLN N N 30 119.600 119.523 0.077 1
1 333 . 7 1 1 A 32 32 GLU H H 31 8.300 8.596 -0.296 1
1 334 . 7 1 1 A 32 32 GLU HA H 31 4.190 4.033 0.157 1
1 339 . 7 1 1 A 32 32 GLU C C 31 178.100 179.349 -1.249 1
1 340 . 7 1 1 A 32 32 GLU CA C 31 58.600 59.257 -0.657 1
1 341 . 7 1 1 A 32 32 GLU CB C 31 28.800 29.391 -0.591 1
1 343 . 7 1 1 A 32 32 GLU N N 31 120.800 119.545 1.255 1
1 344 . 7 1 1 A 33 33 ALA H H 32 8.070 8.025 0.045 1
1 345 . 7 1 1 A 33 33 ALA HA H 32 4.160 4.050 0.110 1
1 349 . 7 1 1 A 33 33 ALA C C 32 179.900 179.231 0.669 1
1 350 . 7 1 1 A 33 33 ALA CA C 32 54.900 55.145 -0.245 1
1 351 . 7 1 1 A 33 33 ALA CB C 32 18.200 18.396 -0.196 1
1 352 . 7 1 1 A 33 33 ALA N N 32 123.000 122.452 0.548 1
1 353 . 7 1 1 A 34 34 LYS H H 33 8.050 7.738 0.312 1
1 354 . 7 1 1 A 34 34 LYS HA H 33 4.150 4.238 -0.088 1
1 363 . 7 1 1 A 34 34 LYS C C 33 178.900 178.832 0.068 1
1 364 . 7 1 1 A 34 34 LYS CA C 33 58.600 59.252 -0.652 1
1 365 . 7 1 1 A 34 34 LYS CB C 33 32.300 32.153 0.147 1
1 369 . 7 1 1 A 34 34 LYS N N 33 118.600 118.957 -0.357 1
1 370 . 7 1 1 A 35 35 HIS H H 34 8.240 8.289 -0.049 1
1 371 . 7 1 1 A 35 35 HIS HA H 34 4.580 4.178 0.402 1
1 374 . 7 1 1 A 35 35 HIS C C 34 176.300 177.560 -1.260 1
1 375 . 7 1 1 A 35 35 HIS CA C 34 57.800 60.069 -2.269 1
1 376 . 7 1 1 A 35 35 HIS CB C 34 28.300 29.835 -1.535 1
1 377 . 7 1 1 A 35 35 HIS N N 34 119.100 119.443 -0.343 1
1 378 . 7 1 1 A 36 36 ARG H H 35 8.390 8.437 -0.047 1
1 379 . 7 1 1 A 36 36 ARG HA H 35 4.160 4.002 0.158 1
1 386 . 7 1 1 A 36 36 ARG C C 35 178.500 178.958 -0.458 1
1 387 . 7 1 1 A 36 36 ARG CA C 35 58.800 58.775 0.025 1
1 388 . 7 1 1 A 36 36 ARG CB C 35 29.200 29.490 -0.290 1
1 391 . 7 1 1 A 36 36 ARG N N 35 120.600 119.174 1.426 1
1 392 . 7 1 1 A 37 37 GLU H H 36 8.240 8.593 -0.353 1
1 393 . 7 1 1 A 37 37 GLU HA H 36 4.080 3.974 0.106 1
1 398 . 7 1 1 A 37 37 GLU C C 36 178.200 178.755 -0.555 1
1 399 . 7 1 1 A 37 37 GLU CA C 36 59.100 59.333 -0.233 1
1 400 . 7 1 1 A 37 37 GLU CB C 36 29.100 29.508 -0.408 1
1 402 . 7 1 1 A 37 37 GLU N N 36 120.400 120.082 0.318 1
1 403 . 7 1 1 A 38 38 ALA H H 37 7.980 7.844 0.136 1
1 404 . 7 1 1 A 38 38 ALA HA H 37 4.100 3.991 0.109 1
1 408 . 7 1 1 A 38 38 ALA C C 37 179.800 179.652 0.148 1
1 409 . 7 1 1 A 38 38 ALA CA C 37 55.100 55.287 -0.187 1
1 410 . 7 1 1 A 38 38 ALA CB C 37 18.000 18.195 -0.195 1
1 411 . 7 1 1 A 38 38 ALA N N 37 122.000 122.489 -0.489 1
1 412 . 7 1 1 A 39 39 GLU H H 38 8.050 8.130 -0.080 1
1 413 . 7 1 1 A 39 39 GLU HA H 38 4.120 3.896 0.224 1
1 418 . 7 1 1 A 39 39 GLU C C 38 179.000 178.609 0.391 1
1 419 . 7 1 1 A 39 39 GLU CA C 38 58.800 59.136 -0.336 1
1 420 . 7 1 1 A 39 39 GLU CB C 38 29.100 29.091 0.009 1
1 422 . 7 1 1 A 39 39 GLU N N 38 118.200 118.184 0.016 1
1 423 . 7 1 1 A 40 40 MET H H 39 8.130 8.094 0.036 1
1 424 . 7 1 1 A 40 40 MET HA H 39 4.200 3.970 0.230 1
1 429 . 7 1 1 A 40 40 MET C C 39 178.200 178.145 0.055 1
1 430 . 7 1 1 A 40 40 MET CA C 39 58.100 58.602 -0.502 1
1 431 . 7 1 1 A 40 40 MET CB C 39 32.300 31.946 0.354 1
1 433 . 7 1 1 A 40 40 MET N N 39 120.300 120.053 0.247 1
1 434 . 7 1 1 A 41 41 ARG HA H 40 3.890 4.154 -0.264 1
1 441 . 7 1 1 A 41 41 ARG C C 40 177.700 178.650 -0.950 1
1 442 . 7 1 1 A 41 41 ARG CA C 40 59.500 59.402 0.098 1
1 443 . 7 1 1 A 41 41 ARG CB C 40 30.300 30.519 -0.219 1
1 444 . 7 1 1 A 42 42 ASN H H 41 8.190 8.530 -0.340 1
1 445 . 7 1 1 A 42 42 ASN HA H 41 4.440 4.415 0.025 1
1 450 . 7 1 1 A 42 42 ASN C C 41 177.700 177.480 0.220 1
1 451 . 7 1 1 A 42 42 ASN CA C 41 55.900 56.609 -0.709 1
1 452 . 7 1 1 A 42 42 ASN CB C 41 38.100 39.541 -1.441 1
1 453 . 7 1 1 A 42 42 ASN N N 41 116.300 118.958 -2.658 1
1 455 . 7 1 1 A 43 43 SER H H 42 8.130 8.755 -0.625 1
1 456 . 7 1 1 A 43 43 SER HA H 42 4.300 4.159 0.141 1
1 459 . 7 1 1 A 43 43 SER C C 42 176.600 176.598 0.002 1
1 460 . 7 1 1 A 43 43 SER CA C 42 61.200 61.467 -0.267 1
1 461 . 7 1 1 A 43 43 SER CB C 42 63.100 62.279 0.821 1
1 462 . 7 1 1 A 43 43 SER N N 42 116.300 115.296 1.004 1
1 463 . 7 1 1 A 44 44 ILE H H 43 7.940 7.884 0.056 1
1 464 . 7 1 1 A 44 44 ILE HA H 43 3.860 3.763 0.097 1
1 474 . 7 1 1 A 44 44 ILE C C 43 178.400 178.162 0.238 1
1 475 . 7 1 1 A 44 44 ILE CA C 43 64.500 64.516 -0.016 1
1 476 . 7 1 1 A 44 44 ILE CB C 43 37.900 37.411 0.489 1
1 480 . 7 1 1 A 44 44 ILE N N 43 122.500 118.402 4.098 1
1 481 . 7 1 1 A 45 45 LEU H H 44 8.070 7.558 0.512 1
1 482 . 7 1 1 A 45 45 LEU HA H 44 3.940 3.936 0.004 1
1 492 . 7 1 1 A 45 45 LEU C C 44 178.200 179.066 -0.866 1
1 493 . 7 1 1 A 45 45 LEU CA C 44 58.100 57.892 0.208 1
1 494 . 7 1 1 A 45 45 LEU CB C 44 41.100 42.144 -1.044 1
1 498 . 7 1 1 A 45 45 LEU N N 44 119.100 122.141 -3.041 1
1 499 . 7 1 1 A 46 46 ALA H H 45 7.760 8.725 -0.965 1
1 500 . 7 1 1 A 46 46 ALA HA H 45 4.100 4.090 0.010 1
1 504 . 7 1 1 A 46 46 ALA C C 45 178.700 178.920 -0.220 1
1 505 . 7 1 1 A 46 46 ALA CA C 45 54.100 54.582 -0.482 1
1 506 . 7 1 1 A 46 46 ALA CB C 45 18.100 18.276 -0.176 1
1 507 . 7 1 1 A 46 46 ALA N N 45 117.600 120.371 -2.771 1
1 508 . 7 1 1 A 47 47 GLN H H 46 7.570 7.471 0.099 1
1 509 . 7 1 1 A 47 47 GLN HA H 46 4.270 4.227 0.043 1
1 514 . 7 1 1 A 47 47 GLN C C 46 177.800 177.936 -0.136 1
1 515 . 7 1 1 A 47 47 GLN CA C 46 57.300 58.376 -1.076 1
1 516 . 7 1 1 A 47 47 GLN CB C 46 29.500 29.145 0.355 1
1 518 . 7 1 1 A 47 47 GLN N N 46 114.300 116.973 -2.673 1
1 519 . 7 1 1 A 48 48 VAL H H 47 7.690 7.159 0.531 1
1 520 . 7 1 1 A 48 48 VAL HA H 47 4.380 3.969 0.411 1
1 528 . 7 1 1 A 48 48 VAL C C 47 174.400 176.075 -1.675 1
1 529 . 7 1 1 A 48 48 VAL CA C 47 62.600 65.072 -2.472 1
1 530 . 7 1 1 A 48 48 VAL CB C 47 32.800 31.730 1.070 1
1 533 . 7 1 1 A 48 48 VAL N N 47 111.900 113.590 -1.690 1
1 534 . 7 1 1 A 49 49 LEU H H 48 7.480 7.904 -0.424 1
1 535 . 7 1 1 A 49 49 LEU HA H 48 4.910 4.247 0.663 1
1 545 . 7 1 1 A 49 49 LEU C C 48 177.000 176.154 0.846 1
1 546 . 7 1 1 A 49 49 LEU CA C 48 53.700 54.696 -0.996 1
1 547 . 7 1 1 A 49 49 LEU CB C 48 44.500 42.314 2.186 1
1 551 . 7 1 1 A 49 49 LEU N N 48 119.600 123.880 -4.280 1
1 552 . 7 1 1 A 50 50 ASP H H 49 8.430 8.764 -0.334 1
1 553 . 7 1 1 A 50 50 ASP HA H 49 4.630 4.580 0.050 1
1 556 . 7 1 1 A 50 50 ASP C C 49 176.000 177.246 -1.246 1
1 557 . 7 1 1 A 50 50 ASP CA C 49 53.000 54.190 -1.190 1
1 558 . 7 1 1 A 50 50 ASP CB C 49 40.200 42.492 -2.292 1
1 559 . 7 1 1 A 50 50 ASP N N 49 121.200 125.310 -4.110 1
1 560 . 7 1 1 A 51 51 GLN H H 50 8.580 9.065 -0.485 1
1 561 . 7 1 1 A 51 51 GLN HA H 50 3.950 3.946 0.004 1
1 566 . 7 1 1 A 51 51 GLN C C 50 178.800 177.665 1.135 1
1 567 . 7 1 1 A 51 51 GLN CA C 50 60.200 59.186 1.014 1
1 568 . 7 1 1 A 51 51 GLN CB C 50 28.300 28.293 0.007 1
1 570 . 7 1 1 A 51 51 GLN N N 50 118.200 125.800 -7.600 1
1 571 . 7 1 1 A 52 52 SER H H 51 8.430 8.353 0.077 1
1 572 . 7 1 1 A 52 52 SER HA H 51 4.320 4.183 0.137 1
1 575 . 7 1 1 A 52 52 SER C C 51 177.200 176.301 0.899 1
1 576 . 7 1 1 A 52 52 SER CA C 51 61.500 61.655 -0.155 1
1 577 . 7 1 1 A 52 52 SER CB C 51 62.400 63.262 -0.862 1
1 578 . 7 1 1 A 52 52 SER N N 51 117.000 116.712 0.288 1
1 579 . 7 1 1 A 53 53 ALA H H 52 8.760 7.957 0.803 1
1 580 . 7 1 1 A 53 53 ALA HA H 52 3.960 4.079 -0.119 1
1 584 . 7 1 1 A 53 53 ALA C C 52 178.900 179.601 -0.701 1
1 585 . 7 1 1 A 53 53 ALA CA C 52 55.400 55.000 0.400 1
1 586 . 7 1 1 A 53 53 ALA CB C 52 19.200 18.349 0.851 1
1 587 . 7 1 1 A 53 53 ALA N N 52 127.400 123.524 3.876 1
1 588 . 7 1 1 A 54 54 ARG H H 53 8.640 8.462 0.178 1
1 589 . 7 1 1 A 54 54 ARG HA H 53 3.880 4.040 -0.160 1
1 596 . 7 1 1 A 54 54 ARG C C 53 179.000 178.101 0.899 1
1 597 . 7 1 1 A 54 54 ARG CA C 53 59.700 59.326 0.374 1
1 598 . 7 1 1 A 54 54 ARG CB C 53 29.900 29.912 -0.012 1
1 601 . 7 1 1 A 54 54 ARG N N 53 118.200 118.920 -0.720 1
1 602 . 7 1 1 A 55 55 ALA H H 54 7.960 8.301 -0.341 1
1 603 . 7 1 1 A 55 55 ALA HA H 54 4.190 4.050 0.140 1
1 607 . 7 1 1 A 55 55 ALA C C 54 180.100 178.880 1.220 1
1 608 . 7 1 1 A 55 55 ALA CA C 54 55.100 55.342 -0.242 1
1 609 . 7 1 1 A 55 55 ALA CB C 54 17.700 18.301 -0.601 1
1 610 . 7 1 1 A 55 55 ALA N N 54 122.200 121.907 0.293 1
1 611 . 7 1 1 A 56 56 ARG H H 55 7.800 7.978 -0.178 1
1 612 . 7 1 1 A 56 56 ARG HA H 55 4.160 4.131 0.029 1
1 619 . 7 1 1 A 56 56 ARG C C 55 178.900 178.261 0.639 1
1 620 . 7 1 1 A 56 56 ARG CA C 55 58.300 58.673 -0.373 1
1 621 . 7 1 1 A 56 56 ARG CB C 55 29.100 30.040 -0.940 1
1 624 . 7 1 1 A 56 56 ARG N N 55 119.100 118.809 0.291 1
1 625 . 7 1 1 A 57 57 LEU H H 56 8.390 7.987 0.403 1
1 626 . 7 1 1 A 57 57 LEU HA H 56 4.060 4.133 -0.073 1
1 635 . 7 1 1 A 57 57 LEU C C 56 178.100 178.333 -0.233 1
1 636 . 7 1 1 A 57 57 LEU CA C 56 57.800 57.763 0.037 1
1 637 . 7 1 1 A 57 57 LEU CB C 56 41.600 41.725 -0.125 1
1 641 . 7 1 1 A 57 57 LEU N N 56 120.600 121.340 -0.740 1
1 642 . 7 1 1 A 58 58 SER H H 57 8.150 8.236 -0.086 1
1 643 . 7 1 1 A 58 58 SER HA H 57 4.210 4.197 0.013 1
1 646 . 7 1 1 A 58 58 SER C C 57 176.500 176.606 -0.106 1
1 647 . 7 1 1 A 58 58 SER CA C 57 61.800 61.069 0.731 1
1 648 . 7 1 1 A 58 58 SER CB C 57 62.600 63.237 -0.637 1
1 649 . 7 1 1 A 58 58 SER N N 57 114.100 114.250 -0.150 1
1 650 . 7 1 1 A 59 59 ASN H H 58 7.700 7.999 -0.299 1
1 651 . 7 1 1 A 59 59 ASN HA H 58 4.580 4.484 0.096 1
1 656 . 7 1 1 A 59 59 ASN C C 58 178.000 177.867 0.133 1
1 657 . 7 1 1 A 59 59 ASN CA C 58 56.200 56.732 -0.532 1
1 658 . 7 1 1 A 59 59 ASN CB C 58 38.700 38.932 -0.232 1
1 659 . 7 1 1 A 59 59 ASN N N 58 119.500 119.804 -0.304 1
1 661 . 7 1 1 A 60 60 LEU H H 59 8.250 8.200 0.050 1
1 662 . 7 1 1 A 60 60 LEU HA H 59 4.070 4.022 0.048 1
1 671 . 7 1 1 A 60 60 LEU C C 59 178.400 179.448 -1.048 1
1 672 . 7 1 1 A 60 60 LEU CA C 59 57.500 57.738 -0.238 1
1 673 . 7 1 1 A 60 60 LEU CB C 59 42.100 41.038 1.062 1
1 677 . 7 1 1 A 60 60 LEU N N 59 123.000 119.674 3.326 1
1 678 . 7 1 1 A 61 61 ALA H H 60 8.070 8.218 -0.148 1
1 679 . 7 1 1 A 61 61 ALA HA H 60 3.910 4.426 -0.516 1
1 683 . 7 1 1 A 61 61 ALA C C 60 178.400 178.595 -0.195 1
1 684 . 7 1 1 A 61 61 ALA CA C 60 54.600 54.685 -0.085 1
1 685 . 7 1 1 A 61 61 ALA CB C 60 18.200 18.423 -0.223 1
1 686 . 7 1 1 A 61 61 ALA N N 60 120.700 122.217 -1.517 1
1 687 . 7 1 1 A 62 62 LEU H H 61 7.170 7.680 -0.510 1
1 688 . 7 1 1 A 62 62 LEU HA H 61 4.200 4.262 -0.062 1
1 695 . 7 1 1 A 62 62 LEU C C 61 178.300 178.309 -0.009 1
1 696 . 7 1 1 A 62 62 LEU CA C 61 56.500 56.136 0.364 1
1 697 . 7 1 1 A 62 62 LEU CB C 61 42.100 42.483 -0.383 1
1 701 . 7 1 1 A 62 62 LEU N N 61 113.700 117.777 -4.077 1
1 702 . 7 1 1 A 63 63 VAL H H 62 7.330 7.158 0.172 1
1 703 . 7 1 1 A 63 63 VAL HA H 62 4.380 4.189 0.191 1
1 711 . 7 1 1 A 63 63 VAL C C 62 176.200 176.027 0.173 1
1 712 . 7 1 1 A 63 63 VAL CA C 62 62.800 63.047 -0.247 1
1 713 . 7 1 1 A 63 63 VAL CB C 62 33.900 32.796 1.104 1
1 716 . 7 1 1 A 63 63 VAL N N 62 112.500 110.808 1.692 1
1 717 . 7 1 1 A 64 64 LYS H H 63 8.710 7.842 0.868 1
1 718 . 7 1 1 A 64 64 LYS HA H 63 5.000 4.654 0.346 1
1 727 . 7 1 1 A 64 64 LYS C C 63 174.200 175.404 -1.204 1
1 728 . 7 1 1 A 64 64 LYS CA C 63 53.600 53.310 0.290 1
1 729 . 7 1 1 A 64 64 LYS CB C 63 33.400 32.604 0.796 1
1 733 . 7 1 1 A 64 64 LYS N N 63 120.400 119.772 0.628 1
1 734 . 7 1 1 A 65 65 PRO HA H 64 4.360 4.671 -0.311 1
1 741 . 7 1 1 A 65 65 PRO C C 64 179.400 178.177 1.223 1
1 742 . 7 1 1 A 65 65 PRO CA C 64 66.000 64.354 1.646 1
1 743 . 7 1 1 A 65 65 PRO CB C 64 31.400 31.867 -0.467 1
1 746 . 7 1 1 A 66 66 GLU H H 65 8.920 8.504 0.416 1
1 747 . 7 1 1 A 66 66 GLU HA H 65 4.200 4.059 0.141 1
1 752 . 7 1 1 A 66 66 GLU C C 65 179.600 179.628 -0.028 1
1 753 . 7 1 1 A 66 66 GLU CA C 65 59.400 60.029 -0.629 1
1 754 . 7 1 1 A 66 66 GLU CB C 65 28.300 28.836 -0.536 1
1 756 . 7 1 1 A 66 66 GLU N N 65 118.700 118.527 0.173 1
1 757 . 7 1 1 A 67 67 LYS H H 66 8.000 7.550 0.450 1
1 758 . 7 1 1 A 67 67 LYS HA H 66 4.160 4.065 0.095 1
1 767 . 7 1 1 A 67 67 LYS C C 66 178.400 179.210 -0.810 1
1 768 . 7 1 1 A 67 67 LYS CA C 66 58.500 59.163 -0.663 1
1 769 . 7 1 1 A 67 67 LYS CB C 66 32.300 32.226 0.074 1
1 773 . 7 1 1 A 67 67 LYS N N 66 121.300 119.065 2.235 1
1 774 . 7 1 1 A 68 68 THR H H 67 7.960 8.129 -0.169 1
1 775 . 7 1 1 A 68 68 THR HA H 67 4.130 3.827 0.303 1
1 780 . 7 1 1 A 68 68 THR C C 67 176.200 176.395 -0.195 1
1 781 . 7 1 1 A 68 68 THR CA C 67 67.800 67.338 0.462 1
1 782 . 7 1 1 A 68 68 THR CB C 67 67.800 68.512 -0.712 1
1 784 . 7 1 1 A 68 68 THR N N 67 114.200 117.952 -3.752 1
1 785 . 7 1 1 A 69 69 LYS H H 68 7.770 8.425 -0.655 1
1 786 . 7 1 1 A 69 69 LYS HA H 68 3.990 4.024 -0.034 1
1 795 . 7 1 1 A 69 69 LYS C C 68 178.100 178.686 -0.586 1
1 796 . 7 1 1 A 69 69 LYS CA C 68 59.400 59.511 -0.111 1
1 797 . 7 1 1 A 69 69 LYS CB C 68 31.700 32.191 -0.491 1
1 801 . 7 1 1 A 69 69 LYS N N 68 122.000 119.590 2.410 1
1 802 . 7 1 1 A 70 70 ALA H H 69 7.480 8.029 -0.549 1
1 803 . 7 1 1 A 70 70 ALA HA H 69 4.240 4.012 0.228 1
1 807 . 7 1 1 A 70 70 ALA C C 69 181.200 179.838 1.362 1
1 808 . 7 1 1 A 70 70 ALA CA C 69 55.200 55.036 0.164 1
1 809 . 7 1 1 A 70 70 ALA CB C 69 17.900 18.572 -0.672 1
1 810 . 7 1 1 A 70 70 ALA N N 69 120.300 122.079 -1.779 1
1 811 . 7 1 1 A 71 71 VAL H H 70 8.160 8.299 -0.139 1
1 812 . 7 1 1 A 71 71 VAL HA H 70 3.620 3.833 -0.213 1
1 820 . 7 1 1 A 71 71 VAL C C 70 177.400 178.077 -0.677 1
1 821 . 7 1 1 A 71 71 VAL CA C 70 66.600 65.158 1.442 1
1 822 . 7 1 1 A 71 71 VAL CB C 70 31.500 31.595 -0.095 1
1 825 . 7 1 1 A 71 71 VAL N N 70 120.300 116.234 4.066 1
1 826 . 7 1 1 A 72 72 GLU H H 71 8.690 8.576 0.114 1
1 827 . 7 1 1 A 72 72 GLU HA H 71 3.800 3.982 -0.182 1
1 832 . 7 1 1 A 72 72 GLU C C 71 178.000 179.562 -1.562 1
1 833 . 7 1 1 A 72 72 GLU CA C 71 60.400 59.852 0.548 1
1 834 . 7 1 1 A 72 72 GLU CB C 71 29.200 29.404 -0.204 1
1 836 . 7 1 1 A 72 72 GLU N N 71 119.300 121.930 -2.630 1
1 837 . 7 1 1 A 73 73 ASN H H 72 8.460 8.119 0.341 1
1 838 . 7 1 1 A 73 73 ASN HA H 72 4.440 4.498 -0.058 1
1 843 . 7 1 1 A 73 73 ASN C C 72 177.600 177.151 0.449 1
1 844 . 7 1 1 A 73 73 ASN CA C 72 56.200 56.294 -0.094 1
1 845 . 7 1 1 A 73 73 ASN CB C 72 37.600 38.603 -1.003 1
1 846 . 7 1 1 A 73 73 ASN N N 72 115.900 118.054 -2.154 1
1 848 . 7 1 1 A 74 74 TYR H H 73 7.940 8.047 -0.107 1
1 849 . 7 1 1 A 74 74 TYR HA H 73 4.200 4.236 -0.036 1
1 856 . 7 1 1 A 74 74 TYR C C 73 177.600 176.952 0.648 1
1 857 . 7 1 1 A 74 74 TYR CA C 73 61.500 61.443 0.057 1
1 858 . 7 1 1 A 74 74 TYR CB C 73 38.400 38.622 -0.222 1
1 863 . 7 1 1 A 74 74 TYR N N 73 122.400 120.792 1.608 1
1 864 . 7 1 1 A 75 75 LEU H H 74 8.410 9.083 -0.673 1
1 865 . 7 1 1 A 75 75 LEU HA H 74 3.930 3.684 0.246 1
1 875 . 7 1 1 A 75 75 LEU C C 74 178.500 179.158 -0.658 1
1 876 . 7 1 1 A 75 75 LEU CA C 74 58.100 57.849 0.251 1
1 877 . 7 1 1 A 75 75 LEU CB C 74 42.600 41.358 1.242 1
1 881 . 7 1 1 A 75 75 LEU N N 74 119.500 119.557 -0.057 1
1 882 . 7 1 1 A 76 76 ILE H H 75 8.400 8.496 -0.096 1
1 883 . 7 1 1 A 76 76 ILE HA H 75 3.570 3.400 0.170 1
1 890 . 7 1 1 A 76 76 ILE C C 75 178.100 177.756 0.344 1
1 891 . 7 1 1 A 76 76 ILE CA C 75 65.200 65.594 -0.394 1
1 892 . 7 1 1 A 76 76 ILE CB C 75 37.800 37.833 -0.033 1
1 896 . 7 1 1 A 76 76 ILE N N 75 118.600 120.168 -1.568 1
1 897 . 7 1 1 A 77 77 GLN H H 76 7.830 7.382 0.448 1
1 898 . 7 1 1 A 77 77 GLN HA H 76 3.920 3.549 0.371 1
1 903 . 7 1 1 A 77 77 GLN C C 76 178.100 177.989 0.111 1
1 904 . 7 1 1 A 77 77 GLN CA C 76 59.100 58.282 0.818 1
1 905 . 7 1 1 A 77 77 GLN CB C 76 28.000 28.440 -0.440 1
1 907 . 7 1 1 A 77 77 GLN N N 76 119.300 118.494 0.806 1
1 908 . 7 1 1 A 78 78 MET H H 77 8.060 8.261 -0.201 1
1 909 . 7 1 1 A 78 78 MET HA H 77 4.040 3.871 0.169 1
1 912 . 7 1 1 A 78 78 MET C C 77 178.700 177.887 0.813 1
1 913 . 7 1 1 A 78 78 MET CA C 77 58.600 58.306 0.294 1
1 914 . 7 1 1 A 78 78 MET CB C 77 33.000 31.911 1.089 1
1 916 . 7 1 1 A 78 78 MET N N 77 117.600 119.237 -1.637 1
1 917 . 7 1 1 A 79 79 ALA H H 78 8.210 8.163 0.047 1
1 918 . 7 1 1 A 79 79 ALA HA H 78 4.190 4.012 0.178 1
1 922 . 7 1 1 A 79 79 ALA C C 78 180.600 179.919 0.681 1
1 923 . 7 1 1 A 79 79 ALA CA C 78 54.100 54.822 -0.722 1
1 924 . 7 1 1 A 79 79 ALA CB C 78 18.400 18.171 0.229 1
1 925 . 7 1 1 A 79 79 ALA N N 78 121.400 121.289 0.111 1
1 926 . 7 1 1 A 80 80 ARG H H 79 8.120 7.524 0.596 1
1 927 . 7 1 1 A 80 80 ARG HA H 79 3.960 4.007 -0.047 1
1 934 . 7 1 1 A 80 80 ARG C C 79 177.900 177.539 0.361 1
1 935 . 7 1 1 A 80 80 ARG CA C 79 58.800 58.525 0.275 1
1 936 . 7 1 1 A 80 80 ARG CB C 79 29.900 29.757 0.143 1
1 939 . 7 1 1 A 80 80 ARG N N 79 119.100 119.905 -0.805 1
1 940 . 7 1 1 A 81 81 TYR H H 80 7.800 7.558 0.242 1
1 941 . 7 1 1 A 81 81 TYR HA H 80 4.710 4.573 0.137 1
1 948 . 7 1 1 A 81 81 TYR C C 80 176.500 175.765 0.735 1
1 949 . 7 1 1 A 81 81 TYR CA C 80 57.500 57.920 -0.420 1
1 950 . 7 1 1 A 81 81 TYR CB C 80 38.100 38.785 -0.685 1
1 955 . 7 1 1 A 81 81 TYR N N 80 115.900 115.648 0.252 1
1 956 . 7 1 1 A 82 82 GLY H H 81 7.850 7.553 0.297 1
1 957 . 7 1 1 A 82 82 GLY HA2 H 81 4.030 3.967 0.063 1
1 958 . 7 1 1 A 82 82 GLY HA3 H 81 4.030 3.991 0.039 1
1 959 . 7 1 1 A 82 82 GLY C C 81 174.900 175.220 -0.320 1
1 960 . 7 1 1 A 82 82 GLY CA C 81 46.300 46.523 -0.223 1
1 961 . 7 1 1 A 82 82 GLY N N 81 108.500 108.706 -0.206 1
1 962 . 7 1 1 A 83 83 GLN H H 82 8.200 8.470 -0.270 1
1 963 . 7 1 1 A 83 83 GLN HA H 82 4.310 4.355 -0.045 1
1 968 . 7 1 1 A 83 83 GLN C C 82 175.500 175.024 0.476 1
1 969 . 7 1 1 A 83 83 GLN CA C 82 55.700 56.066 -0.366 1
1 970 . 7 1 1 A 83 83 GLN CB C 82 29.400 28.854 0.546 1
1 972 . 7 1 1 A 83 83 GLN N N 82 116.900 117.611 -0.711 1
1 973 . 7 1 1 A 84 84 LEU H H 83 7.990 7.466 0.524 1
1 974 . 7 1 1 A 84 84 LEU HA H 83 4.610 4.808 -0.198 1
1 984 . 7 1 1 A 84 84 LEU C C 83 176.500 175.985 0.515 1
1 985 . 7 1 1 A 84 84 LEU CA C 83 54.300 53.206 1.094 1
1 986 . 7 1 1 A 84 84 LEU CB C 83 42.600 45.438 -2.838 1
1 990 . 7 1 1 A 84 84 LEU N N 83 121.400 120.642 0.758 1
1 991 . 7 1 1 A 85 85 SER H H 84 8.630 8.750 -0.120 1
1 992 . 7 1 1 A 85 85 SER HA H 84 4.410 4.677 -0.267 1
1 995 . 7 1 1 A 85 85 SER C C 84 173.700 174.150 -0.450 1
1 996 . 7 1 1 A 85 85 SER CA C 84 59.400 58.875 0.525 1
1 997 . 7 1 1 A 85 85 SER CB C 84 63.900 64.610 -0.710 1
1 998 . 7 1 1 A 85 85 SER N N 84 118.400 118.700 -0.300 1
1 999 . 7 1 1 A 86 86 GLU H H 85 7.690 7.666 0.024 1
1 1000 . 7 1 1 A 86 86 GLU HA H 85 4.530 4.735 -0.205 1
1 1005 . 7 1 1 A 86 86 GLU C C 85 175.400 175.634 -0.234 1
1 1006 . 7 1 1 A 86 86 GLU CA C 85 54.900 54.523 0.377 1
1 1007 . 7 1 1 A 86 86 GLU CB C 85 31.200 33.328 -2.128 1
1 1009 . 7 1 1 A 86 86 GLU N N 85 119.400 118.674 0.726 1
1 1010 . 7 1 1 A 87 87 LYS H H 86 8.380 8.335 0.045 1
1 1011 . 7 1 1 A 87 87 LYS HA H 86 4.230 4.863 -0.633 1
1 1018 . 7 1 1 A 87 87 LYS C C 86 176.900 176.433 0.467 1
1 1019 . 7 1 1 A 87 87 LYS CA C 86 57.000 56.489 0.511 1
1 1020 . 7 1 1 A 87 87 LYS CB C 86 33.300 33.048 0.252 1
1 1024 . 7 1 1 A 87 87 LYS N N 86 120.400 121.040 -0.640 1
1 1025 . 7 1 1 A 88 88 VAL H H 87 8.960 9.286 -0.326 1
1 1026 . 7 1 1 A 88 88 VAL HA H 87 3.970 4.607 -0.637 1
1 1034 . 7 1 1 A 88 88 VAL C C 87 174.700 175.455 -0.755 1
1 1035 . 7 1 1 A 88 88 VAL CA C 87 63.300 61.290 2.010 1
1 1036 . 7 1 1 A 88 88 VAL CB C 87 32.400 32.679 -0.279 1
1 1038 . 7 1 1 A 88 88 VAL N N 87 125.200 122.799 2.401 1
1 1039 . 7 1 1 A 89 89 SER H H 88 8.190 8.906 -0.716 1
1 1040 . 7 1 1 A 89 89 SER HA H 88 4.990 4.547 0.443 1
1 1043 . 7 1 1 A 89 89 SER C C 88 175.700 175.773 -0.073 1
1 1044 . 7 1 1 A 89 89 SER CA C 88 56.200 58.067 -1.867 1
1 1045 . 7 1 1 A 89 89 SER CB C 88 66.600 64.627 1.973 1
1 1046 . 7 1 1 A 89 89 SER N N 88 121.700 122.929 -1.229 1
1 1047 . 7 1 1 A 90 90 GLU H H 89 9.230 8.993 0.237 1
1 1048 . 7 1 1 A 90 90 GLU HA H 89 3.720 3.985 -0.265 1
1 1053 . 7 1 1 A 90 90 GLU C C 89 177.700 178.493 -0.793 1
1 1054 . 7 1 1 A 90 90 GLU CA C 89 61.200 60.080 1.120 1
1 1055 . 7 1 1 A 90 90 GLU CB C 89 29.100 29.250 -0.150 1
1 1057 . 7 1 1 A 90 90 GLU N N 89 121.600 123.888 -2.288 1
1 1058 . 7 1 1 A 91 91 GLN H H 90 8.430 8.364 0.066 1
1 1059 . 7 1 1 A 91 91 GLN HA H 90 4.040 4.083 -0.043 1
1 1066 . 7 1 1 A 91 91 GLN C C 90 178.900 178.289 0.611 1
1 1067 . 7 1 1 A 91 91 GLN CA C 90 59.100 58.042 1.058 1
1 1068 . 7 1 1 A 91 91 GLN CB C 90 27.800 28.087 -0.287 1
1 1070 . 7 1 1 A 91 91 GLN N N 90 117.100 117.847 -0.747 1
1 1072 . 7 1 1 A 92 92 GLY H H 91 8.080 8.018 0.062 1
1 1073 . 7 1 1 A 92 92 GLY HA2 H 91 3.890 3.574 0.316 1
1 1074 . 7 1 1 A 92 92 GLY HA3 H 91 3.890 3.575 0.315 1
1 1075 . 7 1 1 A 92 92 GLY C C 91 176.600 175.756 0.844 1
1 1076 . 7 1 1 A 92 92 GLY CA C 91 46.900 47.219 -0.319 1
1 1077 . 7 1 1 A 92 92 GLY N N 91 109.400 108.550 0.850 1
1 1078 . 7 1 1 A 93 93 LEU H H 92 8.610 8.380 0.230 1
1 1079 . 7 1 1 A 93 93 LEU HA H 92 4.000 4.263 -0.263 1
1 1089 . 7 1 1 A 93 93 LEU C C 92 178.000 178.560 -0.560 1
1 1090 . 7 1 1 A 93 93 LEU CA C 92 57.500 57.069 0.431 1
1 1091 . 7 1 1 A 93 93 LEU CB C 92 41.800 41.216 0.584 1
1 1095 . 7 1 1 A 93 93 LEU N N 92 123.700 122.461 1.239 1
1 1096 . 7 1 1 A 94 94 ILE H H 93 7.970 8.567 -0.597 1
1 1097 . 7 1 1 A 94 94 ILE HA H 93 3.640 3.608 0.032 1
1 1107 . 7 1 1 A 94 94 ILE C C 93 178.500 178.253 0.247 1
1 1108 . 7 1 1 A 94 94 ILE CA C 93 64.800 65.178 -0.378 1
1 1109 . 7 1 1 A 94 94 ILE CB C 93 37.100 37.372 -0.272 1
1 1113 . 7 1 1 A 94 94 ILE N N 93 119.900 119.190 0.710 1
1 1114 . 7 1 1 A 95 95 GLU H H 94 7.610 7.821 -0.211 1
1 1115 . 7 1 1 A 95 95 GLU HA H 94 4.090 4.123 -0.033 1
1 1120 . 7 1 1 A 95 95 GLU C C 94 179.400 179.147 0.253 1
1 1121 . 7 1 1 A 95 95 GLU CA C 94 59.200 58.950 0.250 1
1 1122 . 7 1 1 A 95 95 GLU CB C 94 28.800 29.578 -0.778 1
1 1124 . 7 1 1 A 95 95 GLU N N 94 118.800 122.068 -3.268 1
1 1125 . 7 1 1 A 96 96 ILE H H 95 7.840 7.573 0.267 1
1 1126 . 7 1 1 A 96 96 ILE HA H 95 3.520 3.673 -0.153 1
1 1136 . 7 1 1 A 96 96 ILE C C 95 177.500 178.052 -0.552 1
1 1137 . 7 1 1 A 96 96 ILE CA C 95 65.500 64.815 0.685 1
1 1138 . 7 1 1 A 96 96 ILE CB C 95 37.900 37.919 -0.019 1
1 1142 . 7 1 1 A 96 96 ILE N N 95 121.600 120.800 0.800 1
1 1143 . 7 1 1 A 97 97 LEU H H 96 8.620 8.564 0.056 1
1 1144 . 7 1 1 A 97 97 LEU HA H 96 3.800 4.009 -0.209 1
1 1151 . 7 1 1 A 97 97 LEU C C 96 179.400 178.224 1.176 1
1 1152 . 7 1 1 A 97 97 LEU CA C 96 58.600 58.648 -0.048 1
1 1153 . 7 1 1 A 97 97 LEU CB C 96 41.500 41.668 -0.168 1
1 1156 . 7 1 1 A 97 97 LEU N N 96 120.400 121.214 -0.814 1
1 1157 . 7 1 1 A 98 98 LYS H H 97 7.750 8.485 -0.735 1
1 1158 . 7 1 1 A 98 98 LYS HA H 97 3.990 4.013 -0.023 1
1 1167 . 7 1 1 A 98 98 LYS C C 97 178.600 178.620 -0.020 1
1 1168 . 7 1 1 A 98 98 LYS CA C 97 59.400 59.093 0.307 1
1 1169 . 7 1 1 A 98 98 LYS CB C 97 32.300 31.962 0.338 1
1 1172 . 7 1 1 A 98 98 LYS N N 97 119.000 117.656 1.344 1
1 1173 . 7 1 1 A 99 99 LYS H H 98 7.710 7.227 0.483 1
1 1174 . 7 1 1 A 99 99 LYS HA H 98 4.110 3.987 0.123 1
1 1183 . 7 1 1 A 99 99 LYS C C 98 179.100 179.667 -0.567 1
1 1184 . 7 1 1 A 99 99 LYS CA C 98 59.100 59.372 -0.272 1
1 1185 . 7 1 1 A 99 99 LYS CB C 98 32.500 32.147 0.353 1
1 1189 . 7 1 1 A 99 99 LYS N N 98 119.500 119.593 -0.093 1
1 1190 . 7 1 1 A 100 100 VAL H H 99 8.210 7.899 0.311 1
1 1191 . 7 1 1 A 100 100 VAL HA H 99 3.920 3.909 0.011 1
1 1196 . 7 1 1 A 100 100 VAL C C 99 177.600 177.781 -0.181 1
1 1197 . 7 1 1 A 100 100 VAL CA C 99 64.200 64.474 -0.274 1
1 1198 . 7 1 1 A 100 100 VAL CB C 99 31.500 31.161 0.339 1
1 1200 . 7 1 1 A 100 100 VAL N N 99 115.800 114.519 1.281 1
1 1201 . 7 1 1 A 101 101 SER H H 100 7.900 7.999 -0.099 1
1 1202 . 7 1 1 A 101 101 SER HA H 100 4.340 4.308 0.032 1
1 1205 . 7 1 1 A 101 101 SER C C 100 174.600 175.144 -0.544 1
1 1206 . 7 1 1 A 101 101 SER CA C 100 60.400 61.112 -0.712 1
1 1207 . 7 1 1 A 101 101 SER CB C 100 63.600 63.241 0.359 1
1 1208 . 7 1 1 A 101 101 SER N N 100 116.500 117.405 -0.905 1
1 1209 . 7 1 1 A 102 102 GLN H H 101 7.860 7.959 -0.099 1
1 1210 . 7 1 1 A 102 102 GLN HA H 101 4.280 4.371 -0.091 1
1 1215 . 7 1 1 A 102 102 GLN C C 101 176.400 176.066 0.334 1
1 1216 . 7 1 1 A 102 102 GLN CA C 101 56.800 57.161 -0.361 1
1 1217 . 7 1 1 A 102 102 GLN CB C 101 28.900 29.948 -1.048 1
1 1219 . 7 1 1 A 102 102 GLN N N 101 120.100 117.897 2.203 1
1 1220 . 7 1 1 A 103 103 GLN H H 102 8.080 7.864 0.216 1
1 1221 . 7 1 1 A 103 103 GLN HA H 102 4.360 4.610 -0.250 1
1 1226 . 7 1 1 A 103 103 GLN C C 102 176.500 173.231 3.269 1
1 1227 . 7 1 1 A 103 103 GLN CA C 102 56.700 55.051 1.649 1
1 1228 . 7 1 1 A 103 103 GLN CB C 102 29.000 31.754 -2.754 1
1 1230 . 7 1 1 A 103 103 GLN N N 102 119.700 112.580 7.120 1
1 1231 . 7 1 1 A 104 104 THR H H 103 8.070 8.724 -0.654 1
1 1232 . 7 1 1 A 104 104 THR HA H 103 4.350 4.511 -0.161 1
1 1237 . 7 1 1 A 104 104 THR C C 103 174.700 173.698 1.002 1
1 1238 . 7 1 1 A 104 104 THR CA C 103 62.500 60.273 2.227 1
1 1239 . 7 1 1 A 104 104 THR CB C 103 69.800 68.787 1.013 1
1 1241 . 7 1 1 A 104 104 THR N N 103 113.900 119.405 -5.505 1
1 1242 . 7 1 1 A 105 105 GLU H H 104 8.290 8.367 -0.077 1
1 1243 . 7 1 1 A 105 105 GLU HA H 104 4.350 4.044 0.306 1
1 1248 . 7 1 1 A 105 105 GLU C C 104 176.300 176.320 -0.020 1
1 1249 . 7 1 1 A 105 105 GLU CA C 104 56.700 57.574 -0.874 1
1 1250 . 7 1 1 A 105 105 GLU CB C 104 29.900 26.716 3.184 1
1 1252 . 7 1 1 A 105 105 GLU N N 104 122.900 125.476 -2.576 1
1 1253 . 7 1 1 A 106 106 LYS H H 105 8.320 7.935 0.385 1
1 1254 . 7 1 1 A 106 106 LYS HA H 105 4.390 4.131 0.259 1
1 1263 . 7 1 1 A 106 106 LYS C C 105 176.800 178.686 -1.886 1
1 1264 . 7 1 1 A 106 106 LYS CA C 105 56.700 58.830 -2.130 1
1 1265 . 7 1 1 A 106 106 LYS CB C 105 32.800 31.963 0.837 1
1 1269 . 7 1 1 A 106 106 LYS N N 105 121.900 119.241 2.659 1
1 1270 . 7 1 1 A 107 107 THR H H 106 8.150 7.220 0.930 1
1 1271 . 7 1 1 A 107 107 THR HA H 106 4.430 4.267 0.163 1
1 1276 . 7 1 1 A 107 107 THR C C 106 174.600 174.868 -0.268 1
1 1277 . 7 1 1 A 107 107 THR CA C 106 62.000 63.581 -1.581 1
1 1278 . 7 1 1 A 107 107 THR CB C 106 70.000 69.140 0.860 1
1 1280 . 7 1 1 A 107 107 THR N N 106 115.000 110.658 4.342 1
1 1281 . 7 1 1 A 108 108 THR H H 107 8.190 7.658 0.532 1
1 1282 . 7 1 1 A 108 108 THR HA H 107 4.440 4.460 -0.020 1
1 1287 . 7 1 1 A 108 108 THR C C 107 174.500 173.395 1.105 1
1 1288 . 7 1 1 A 108 108 THR CA C 107 62.000 61.459 0.541 1
1 1289 . 7 1 1 A 108 108 THR CB C 107 69.800 67.231 2.569 1
1 1291 . 7 1 1 A 108 108 THR N N 107 116.500 118.082 -1.582 1
1 1292 . 7 1 1 A 109 109 THR H H 108 8.170 8.416 -0.246 1
1 1293 . 7 1 1 A 109 109 THR HA H 108 4.350 5.041 -0.691 1
1 1298 . 7 1 1 A 109 109 THR C C 108 174.200 172.669 1.531 1
1 1299 . 7 1 1 A 109 109 THR CA C 108 62.000 61.559 0.441 1
1 1300 . 7 1 1 A 109 109 THR CB C 108 69.800 71.641 -1.841 1
1 1302 . 7 1 1 A 109 109 THR N N 108 117.200 122.864 -5.664 1
1 1303 . 7 1 1 A 110 110 VAL H H 109 8.100 9.025 -0.925 1
1 1304 . 7 1 1 A 110 110 VAL HA H 109 4.040 4.647 -0.607 1
1 1312 . 7 1 1 A 110 110 VAL C C 109 175.200 175.496 -0.296 1
1 1313 . 7 1 1 A 110 110 VAL CA C 109 62.300 59.994 2.306 1
1 1314 . 7 1 1 A 110 110 VAL CB C 109 32.600 33.926 -1.326 1
1 1316 . 7 1 1 A 110 110 VAL N N 109 123.100 127.133 -4.033 1
1 1317 . 7 1 1 A 111 111 LYS H H 110 8.200 8.396 -0.196 1
1 1318 . 7 1 1 A 111 111 LYS HA H 110 4.310 4.566 -0.256 1
1 1327 . 7 1 1 A 111 111 LYS C C 110 175.700 175.292 0.408 1
1 1328 . 7 1 1 A 111 111 LYS CA C 110 55.700 55.791 -0.091 1
1 1329 . 7 1 1 A 111 111 LYS CB C 110 33.300 32.720 0.580 1
1 1333 . 7 1 1 A 111 111 LYS N N 110 125.200 126.535 -1.335 1
1 1334 . 7 1 1 A 112 112 PHE H H 111 8.310 9.091 -0.781 1
1 1335 . 7 1 1 A 112 112 PHE HA H 111 4.650 4.789 -0.139 1
1 1338 . 7 1 1 A 112 112 PHE C C 111 174.500 174.251 0.249 1
1 1339 . 7 1 1 A 112 112 PHE CA C 111 57.500 56.289 1.211 1
1 1340 . 7 1 1 A 112 112 PHE CB C 111 39.700 38.661 1.039 1
1 1341 . 7 1 1 A 112 112 PHE N N 111 122.100 126.593 -4.493 1
1 1 . 8 1 1 A 2 2 SER H H 1 8.780 8.471 0.309 1
1 2 . 8 1 1 A 2 2 SER HA H 1 4.480 4.609 -0.129 1
1 5 . 8 1 1 A 2 2 SER C C 1 175.000 175.802 -0.802 1
1 6 . 8 1 1 A 2 2 SER CA C 1 59.100 57.236 1.864 1
1 7 . 8 1 1 A 2 2 SER CB C 1 63.900 64.586 -0.686 1
1 8 . 8 1 1 A 2 2 SER N N 1 116.600 119.222 -2.622 1
1 9 . 8 1 1 A 3 3 ALA H H 2 8.710 8.954 -0.244 1
1 10 . 8 1 1 A 3 3 ALA HA H 2 4.310 4.013 0.297 1
1 14 . 8 1 1 A 3 3 ALA C C 2 178.800 179.478 -0.678 1
1 15 . 8 1 1 A 3 3 ALA CA C 2 53.800 55.560 -1.760 1
1 16 . 8 1 1 A 3 3 ALA CB C 2 18.500 18.269 0.231 1
1 17 . 8 1 1 A 3 3 ALA N N 2 125.500 130.178 -4.678 1
1 18 . 8 1 1 A 4 4 ASP H H 3 8.190 8.495 -0.305 1
1 19 . 8 1 1 A 4 4 ASP HA H 3 4.500 4.335 0.165 1
1 22 . 8 1 1 A 4 4 ASP C C 3 177.700 178.326 -0.626 1
1 23 . 8 1 1 A 4 4 ASP CA C 3 55.900 56.494 -0.594 1
1 24 . 8 1 1 A 4 4 ASP CB C 3 40.500 39.635 0.865 1
1 25 . 8 1 1 A 4 4 ASP N N 3 117.800 117.822 -0.022 1
1 26 . 8 1 1 A 5 5 GLU H H 4 8.150 8.119 0.031 1
1 27 . 8 1 1 A 5 5 GLU HA H 4 4.140 4.066 0.074 1
1 32 . 8 1 1 A 5 5 GLU C C 4 178.600 179.005 -0.405 1
1 33 . 8 1 1 A 5 5 GLU CA C 4 58.600 59.344 -0.744 1
1 34 . 8 1 1 A 5 5 GLU CB C 4 29.100 29.500 -0.400 1
1 36 . 8 1 1 A 5 5 GLU N N 4 120.800 120.270 0.530 1
1 37 . 8 1 1 A 6 6 GLU H H 5 8.250 8.870 -0.620 1
1 38 . 8 1 1 A 6 6 GLU HA H 5 4.200 4.110 0.090 1
1 43 . 8 1 1 A 6 6 GLU C C 5 178.300 178.926 -0.626 1
1 44 . 8 1 1 A 6 6 GLU CA C 5 58.600 59.104 -0.504 1
1 45 . 8 1 1 A 6 6 GLU CB C 5 28.800 28.485 0.315 1
1 47 . 8 1 1 A 6 6 GLU N N 5 120.800 118.101 2.699 1
1 48 . 8 1 1 A 7 7 LEU H H 6 7.990 7.777 0.213 1
1 49 . 8 1 1 A 7 7 LEU HA H 6 4.170 4.084 0.086 1
1 58 . 8 1 1 A 7 7 LEU C C 6 179.500 178.737 0.763 1
1 59 . 8 1 1 A 7 7 LEU CA C 6 57.500 57.846 -0.346 1
1 60 . 8 1 1 A 7 7 LEU CB C 6 41.600 42.139 -0.539 1
1 64 . 8 1 1 A 7 7 LEU N N 6 120.900 123.428 -2.528 1
1 65 . 8 1 1 A 8 8 GLU H H 7 8.130 7.948 0.182 1
1 66 . 8 1 1 A 8 8 GLU HA H 7 4.160 4.047 0.113 1
1 71 . 8 1 1 A 8 8 GLU C C 7 178.300 179.067 -0.767 1
1 72 . 8 1 1 A 8 8 GLU CA C 7 58.800 59.023 -0.223 1
1 73 . 8 1 1 A 8 8 GLU CB C 7 28.800 29.820 -1.020 1
1 75 . 8 1 1 A 8 8 GLU N N 7 120.100 119.166 0.934 1
1 76 . 8 1 1 A 9 9 ALA H H 8 8.030 8.389 -0.359 1
1 77 . 8 1 1 A 9 9 ALA HA H 8 4.090 4.070 0.020 1
1 81 . 8 1 1 A 9 9 ALA C C 8 180.500 179.929 0.571 1
1 82 . 8 1 1 A 9 9 ALA CA C 8 55.100 55.081 0.019 1
1 83 . 8 1 1 A 9 9 ALA CB C 8 17.900 18.396 -0.496 1
1 84 . 8 1 1 A 9 9 ALA N N 8 122.100 122.363 -0.263 1
1 85 . 8 1 1 A 10 10 LEU H H 9 7.890 8.333 -0.443 1
1 86 . 8 1 1 A 10 10 LEU HA H 9 4.160 4.081 0.079 1
1 95 . 8 1 1 A 10 10 LEU C C 9 179.200 178.308 0.892 1
1 96 . 8 1 1 A 10 10 LEU CA C 9 57.500 57.397 0.103 1
1 97 . 8 1 1 A 10 10 LEU CB C 9 41.800 41.834 -0.034 1
1 101 . 8 1 1 A 10 10 LEU N N 9 119.500 120.321 -0.821 1
1 102 . 8 1 1 A 11 11 ARG H H 10 8.080 7.764 0.316 1
1 103 . 8 1 1 A 11 11 ARG HA H 10 4.010 3.931 0.079 1
1 110 . 8 1 1 A 11 11 ARG C C 10 178.900 178.881 0.019 1
1 111 . 8 1 1 A 11 11 ARG CA C 10 59.400 59.306 0.094 1
1 112 . 8 1 1 A 11 11 ARG CB C 10 30.100 29.372 0.728 1
1 115 . 8 1 1 A 11 11 ARG N N 10 120.400 119.081 1.319 1
1 116 . 8 1 1 A 12 12 ARG H H 11 8.170 7.757 0.413 1
1 117 . 8 1 1 A 12 12 ARG HA H 11 4.040 4.162 -0.122 1
1 124 . 8 1 1 A 12 12 ARG C C 11 178.900 178.891 0.009 1
1 125 . 8 1 1 A 12 12 ARG CA C 11 59.300 59.386 -0.086 1
1 126 . 8 1 1 A 12 12 ARG CB C 11 30.000 29.863 0.137 1
1 129 . 8 1 1 A 12 12 ARG N N 11 118.400 118.935 -0.535 1
1 130 . 8 1 1 A 13 13 GLN H H 12 8.060 8.174 -0.114 1
1 131 . 8 1 1 A 13 13 GLN HA H 12 4.150 3.989 0.161 1
1 136 . 8 1 1 A 13 13 GLN C C 12 177.900 178.660 -0.760 1
1 137 . 8 1 1 A 13 13 GLN CA C 12 58.600 59.205 -0.605 1
1 138 . 8 1 1 A 13 13 GLN CB C 12 28.500 28.303 0.197 1
1 140 . 8 1 1 A 13 13 GLN N N 12 120.400 119.355 1.045 1
1 141 . 8 1 1 A 14 14 ARG H H 13 8.180 8.290 -0.110 1
1 142 . 8 1 1 A 14 14 ARG HA H 13 4.160 4.592 -0.432 1
1 149 . 8 1 1 A 14 14 ARG C C 13 178.600 179.057 -0.457 1
1 150 . 8 1 1 A 14 14 ARG CA C 13 58.600 59.078 -0.478 1
1 151 . 8 1 1 A 14 14 ARG CB C 13 29.900 29.905 -0.005 1
1 154 . 8 1 1 A 14 14 ARG N N 13 119.900 119.261 0.639 1
1 155 . 8 1 1 A 15 15 LEU H H 14 7.980 8.047 -0.067 1
1 156 . 8 1 1 A 15 15 LEU HA H 14 4.180 4.071 0.109 1
1 165 . 8 1 1 A 15 15 LEU C C 14 178.800 178.534 0.266 1
1 166 . 8 1 1 A 15 15 LEU CA C 14 57.300 57.597 -0.297 1
1 167 . 8 1 1 A 15 15 LEU CB C 14 41.700 41.397 0.303 1
1 171 . 8 1 1 A 15 15 LEU N N 14 119.900 121.196 -1.296 1
1 172 . 8 1 1 A 16 16 ALA H H 15 7.930 8.021 -0.091 1
1 173 . 8 1 1 A 16 16 ALA HA H 15 4.190 4.040 0.150 1
1 177 . 8 1 1 A 16 16 ALA C C 15 180.100 179.258 0.842 1
1 178 . 8 1 1 A 16 16 ALA CA C 15 54.500 54.996 -0.496 1
1 179 . 8 1 1 A 16 16 ALA CB C 15 18.000 18.000 0.000 1
1 180 . 8 1 1 A 16 16 ALA N N 15 122.000 120.719 1.281 1
1 181 . 8 1 1 A 17 17 GLU H H 16 8.010 7.317 0.693 1
1 182 . 8 1 1 A 17 17 GLU HA H 16 4.160 4.099 0.061 1
1 187 . 8 1 1 A 17 17 GLU C C 16 178.100 178.967 -0.867 1
1 188 . 8 1 1 A 17 17 GLU CA C 16 58.100 59.196 -1.096 1
1 189 . 8 1 1 A 17 17 GLU CB C 16 28.900 29.906 -1.006 1
1 191 . 8 1 1 A 17 17 GLU N N 16 118.500 118.370 0.130 1
1 192 . 8 1 1 A 18 18 LEU H H 17 7.890 8.002 -0.112 1
1 193 . 8 1 1 A 18 18 LEU HA H 17 4.200 4.074 0.126 1
1 203 . 8 1 1 A 18 18 LEU C C 17 178.700 177.504 1.196 1
1 204 . 8 1 1 A 18 18 LEU CA C 17 56.900 57.853 -0.953 1
1 205 . 8 1 1 A 18 18 LEU CB C 17 42.100 41.977 0.123 1
1 209 . 8 1 1 A 18 18 LEU N N 17 120.400 121.479 -1.079 1
1 210 . 8 1 1 A 19 19 GLN H H 18 8.020 8.141 -0.121 1
1 211 . 8 1 1 A 19 19 GLN HA H 18 4.200 4.522 -0.322 1
1 216 . 8 1 1 A 19 19 GLN C C 18 176.700 175.896 0.804 1
1 217 . 8 1 1 A 19 19 GLN CA C 18 56.900 54.966 1.934 1
1 218 . 8 1 1 A 19 19 GLN CB C 18 28.800 26.908 1.892 1
1 220 . 8 1 1 A 19 19 GLN N N 18 118.500 117.368 1.132 1
1 221 . 8 1 1 A 20 20 ALA H H 19 7.850 8.029 -0.179 1
1 222 . 8 1 1 A 20 20 ALA HA H 19 4.240 4.602 -0.362 1
1 226 . 8 1 1 A 20 20 ALA C C 19 178.000 177.166 0.834 1
1 227 . 8 1 1 A 20 20 ALA CA C 19 53.100 50.967 2.133 1
1 228 . 8 1 1 A 20 20 ALA CB C 19 18.700 19.794 -1.094 1
1 229 . 8 1 1 A 20 20 ALA N N 19 122.700 124.354 -1.654 1
1 230 . 8 1 1 A 21 21 LYS H H 20 7.950 7.391 0.559 1
1 231 . 8 1 1 A 21 21 LYS HA H 20 4.260 4.324 -0.064 1
1 238 . 8 1 1 A 21 21 LYS C C 20 176.600 177.735 -1.135 1
1 239 . 8 1 1 A 21 21 LYS CA C 20 56.500 56.606 -0.106 1
1 240 . 8 1 1 A 21 21 LYS CB C 20 32.600 32.601 -0.001 1
1 244 . 8 1 1 A 21 21 LYS N N 20 118.800 119.157 -0.357 1
1 245 . 8 1 1 A 22 22 HIS H H 21 8.320 8.624 -0.304 1
1 246 . 8 1 1 A 22 22 HIS HA H 21 4.730 4.390 0.340 1
1 249 . 8 1 1 A 22 22 HIS C C 21 174.800 175.998 -1.198 1
1 250 . 8 1 1 A 22 22 HIS CA C 21 55.400 57.154 -1.754 1
1 251 . 8 1 1 A 22 22 HIS CB C 21 28.800 29.429 -0.629 1
1 252 . 8 1 1 A 22 22 HIS N N 21 118.600 120.389 -1.789 1
1 253 . 8 1 1 A 23 23 GLY H H 22 8.360 7.761 0.599 1
1 254 . 8 1 1 A 23 23 GLY HA2 H 22 3.960 3.654 0.306 1
1 255 . 8 1 1 A 23 23 GLY HA3 H 22 3.960 3.765 0.195 1
1 256 . 8 1 1 A 23 23 GLY C C 22 173.200 173.190 0.010 1
1 257 . 8 1 1 A 23 23 GLY CA C 22 45.000 45.060 -0.060 1
1 258 . 8 1 1 A 23 23 GLY N N 22 109.600 107.535 2.065 1
1 259 . 8 1 1 A 24 24 ASP H H 23 8.320 7.700 0.620 1
1 260 . 8 1 1 A 24 24 ASP HA H 23 4.940 5.122 -0.182 1
1 263 . 8 1 1 A 24 24 ASP C C 23 174.900 175.104 -0.204 1
1 264 . 8 1 1 A 24 24 ASP CA C 23 52.200 50.583 1.617 1
1 265 . 8 1 1 A 24 24 ASP CB C 23 41.300 43.505 -2.205 1
1 266 . 8 1 1 A 24 24 ASP N N 23 121.600 119.041 2.559 1
1 267 . 8 1 1 A 25 25 PRO HA H 24 4.430 4.427 0.003 1
1 274 . 8 1 1 A 25 25 PRO C C 24 177.800 176.698 1.102 1
1 275 . 8 1 1 A 25 25 PRO CA C 24 64.100 63.806 0.294 1
1 276 . 8 1 1 A 25 25 PRO CB C 24 31.900 32.232 -0.332 1
1 279 . 8 1 1 A 26 26 GLY H H 25 8.520 7.154 1.366 1
1 280 . 8 1 1 A 26 26 GLY HA2 H 25 3.940 4.067 -0.127 1
1 281 . 8 1 1 A 26 26 GLY HA3 H 25 3.940 4.069 -0.129 1
1 282 . 8 1 1 A 26 26 GLY C C 25 174.400 174.349 0.051 1
1 283 . 8 1 1 A 26 26 GLY CA C 25 45.500 44.343 1.157 1
1 284 . 8 1 1 A 26 26 GLY N N 25 108.300 107.593 0.707 1
1 285 . 8 1 1 A 27 27 ASP H H 26 8.100 8.981 -0.881 1
1 286 . 8 1 1 A 27 27 ASP HA H 26 4.610 4.262 0.348 1
1 289 . 8 1 1 A 27 27 ASP C C 26 176.900 177.577 -0.677 1
1 290 . 8 1 1 A 27 27 ASP CA C 26 54.800 57.180 -2.380 1
1 291 . 8 1 1 A 27 27 ASP CB C 26 40.800 40.809 -0.009 1
1 292 . 8 1 1 A 27 27 ASP N N 26 120.700 121.691 -0.991 1
1 293 . 8 1 1 A 28 28 ALA H H 27 8.320 8.153 0.167 1
1 294 . 8 1 1 A 28 28 ALA HA H 27 4.180 4.119 0.061 1
1 298 . 8 1 1 A 28 28 ALA C C 27 179.300 179.751 -0.451 1
1 299 . 8 1 1 A 28 28 ALA CA C 27 54.600 54.618 -0.018 1
1 300 . 8 1 1 A 28 28 ALA CB C 27 18.400 18.914 -0.514 1
1 301 . 8 1 1 A 28 28 ALA N N 27 124.100 121.070 3.030 1
1 302 . 8 1 1 A 29 29 ALA H H 28 8.250 8.161 0.089 1
1 303 . 8 1 1 A 29 29 ALA HA H 28 4.230 3.994 0.236 1
1 307 . 8 1 1 A 29 29 ALA C C 28 180.000 180.049 -0.049 1
1 308 . 8 1 1 A 29 29 ALA CA C 28 54.300 55.224 -0.924 1
1 309 . 8 1 1 A 29 29 ALA CB C 28 18.200 18.468 -0.268 1
1 310 . 8 1 1 A 29 29 ALA N N 28 121.200 119.654 1.546 1
1 311 . 8 1 1 A 30 30 GLN H H 29 8.120 8.146 -0.026 1
1 312 . 8 1 1 A 30 30 GLN HA H 29 4.230 3.991 0.239 1
1 317 . 8 1 1 A 30 30 GLN C C 29 177.900 178.391 -0.491 1
1 318 . 8 1 1 A 30 30 GLN CA C 29 57.800 59.191 -1.391 1
1 319 . 8 1 1 A 30 30 GLN CB C 29 28.600 28.143 0.457 1
1 321 . 8 1 1 A 30 30 GLN N N 29 118.800 117.769 1.031 1
1 322 . 8 1 1 A 31 31 GLN H H 30 8.240 7.521 0.719 1
1 323 . 8 1 1 A 31 31 GLN HA H 30 4.120 4.031 0.089 1
1 328 . 8 1 1 A 31 31 GLN C C 30 178.100 178.579 -0.479 1
1 329 . 8 1 1 A 31 31 GLN CA C 30 58.000 59.256 -1.256 1
1 330 . 8 1 1 A 31 31 GLN CB C 30 28.500 28.284 0.216 1
1 332 . 8 1 1 A 31 31 GLN N N 30 119.600 119.597 0.003 1
1 333 . 8 1 1 A 32 32 GLU H H 31 8.300 7.880 0.420 1
1 334 . 8 1 1 A 32 32 GLU HA H 31 4.190 4.038 0.152 1
1 339 . 8 1 1 A 32 32 GLU C C 31 178.100 179.244 -1.144 1
1 340 . 8 1 1 A 32 32 GLU CA C 31 58.600 59.110 -0.510 1
1 341 . 8 1 1 A 32 32 GLU CB C 31 28.800 29.344 -0.544 1
1 343 . 8 1 1 A 32 32 GLU N N 31 120.800 119.005 1.795 1
1 344 . 8 1 1 A 33 33 ALA H H 32 8.070 8.505 -0.435 1
1 345 . 8 1 1 A 33 33 ALA HA H 32 4.160 4.020 0.140 1
1 349 . 8 1 1 A 33 33 ALA C C 32 179.900 179.280 0.620 1
1 350 . 8 1 1 A 33 33 ALA CA C 32 54.900 55.605 -0.705 1
1 351 . 8 1 1 A 33 33 ALA CB C 32 18.200 18.317 -0.117 1
1 352 . 8 1 1 A 33 33 ALA N N 32 123.000 122.163 0.837 1
1 353 . 8 1 1 A 34 34 LYS H H 33 8.050 8.094 -0.044 1
1 354 . 8 1 1 A 34 34 LYS HA H 33 4.150 4.102 0.048 1
1 363 . 8 1 1 A 34 34 LYS C C 33 178.900 178.867 0.033 1
1 364 . 8 1 1 A 34 34 LYS CA C 33 58.600 59.259 -0.659 1
1 365 . 8 1 1 A 34 34 LYS CB C 33 32.300 32.211 0.089 1
1 369 . 8 1 1 A 34 34 LYS N N 33 118.600 119.002 -0.402 1
1 370 . 8 1 1 A 35 35 HIS H H 34 8.240 8.455 -0.215 1
1 371 . 8 1 1 A 35 35 HIS HA H 34 4.580 4.155 0.425 1
1 374 . 8 1 1 A 35 35 HIS C C 34 176.300 177.088 -0.788 1
1 375 . 8 1 1 A 35 35 HIS CA C 34 57.800 60.293 -2.493 1
1 376 . 8 1 1 A 35 35 HIS CB C 34 28.300 29.868 -1.568 1
1 377 . 8 1 1 A 35 35 HIS N N 34 119.100 119.537 -0.437 1
1 378 . 8 1 1 A 36 36 ARG H H 35 8.390 8.335 0.055 1
1 379 . 8 1 1 A 36 36 ARG HA H 35 4.160 3.808 0.352 1
1 386 . 8 1 1 A 36 36 ARG C C 35 178.500 178.597 -0.097 1
1 387 . 8 1 1 A 36 36 ARG CA C 35 58.800 59.816 -1.016 1
1 388 . 8 1 1 A 36 36 ARG CB C 35 29.200 29.743 -0.543 1
1 391 . 8 1 1 A 36 36 ARG N N 35 120.600 120.791 -0.191 1
1 392 . 8 1 1 A 37 37 GLU H H 36 8.240 8.224 0.016 1
1 393 . 8 1 1 A 37 37 GLU HA H 36 4.080 4.028 0.052 1
1 398 . 8 1 1 A 37 37 GLU C C 36 178.200 178.951 -0.751 1
1 399 . 8 1 1 A 37 37 GLU CA C 36 59.100 59.249 -0.149 1
1 400 . 8 1 1 A 37 37 GLU CB C 36 29.100 29.488 -0.388 1
1 402 . 8 1 1 A 37 37 GLU N N 36 120.400 118.553 1.847 1
1 403 . 8 1 1 A 38 38 ALA H H 37 7.980 8.465 -0.485 1
1 404 . 8 1 1 A 38 38 ALA HA H 37 4.100 3.979 0.121 1
1 408 . 8 1 1 A 38 38 ALA C C 37 179.800 180.175 -0.375 1
1 409 . 8 1 1 A 38 38 ALA CA C 37 55.100 55.408 -0.308 1
1 410 . 8 1 1 A 38 38 ALA CB C 37 18.000 18.306 -0.306 1
1 411 . 8 1 1 A 38 38 ALA N N 37 122.000 122.481 -0.481 1
1 412 . 8 1 1 A 39 39 GLU H H 38 8.050 8.155 -0.105 1
1 413 . 8 1 1 A 39 39 GLU HA H 38 4.120 3.878 0.242 1
1 418 . 8 1 1 A 39 39 GLU C C 38 179.000 179.607 -0.607 1
1 419 . 8 1 1 A 39 39 GLU CA C 38 58.800 59.271 -0.471 1
1 420 . 8 1 1 A 39 39 GLU CB C 38 29.100 29.184 -0.084 1
1 422 . 8 1 1 A 39 39 GLU N N 38 118.200 118.048 0.152 1
1 423 . 8 1 1 A 40 40 MET H H 39 8.130 8.031 0.099 1
1 424 . 8 1 1 A 40 40 MET HA H 39 4.200 4.050 0.150 1
1 429 . 8 1 1 A 40 40 MET C C 39 178.200 178.932 -0.732 1
1 430 . 8 1 1 A 40 40 MET CA C 39 58.100 58.977 -0.877 1
1 431 . 8 1 1 A 40 40 MET CB C 39 32.300 32.700 -0.400 1
1 433 . 8 1 1 A 40 40 MET N N 39 120.300 119.304 0.996 1
1 434 . 8 1 1 A 41 41 ARG HA H 40 3.890 4.211 -0.321 1
1 441 . 8 1 1 A 41 41 ARG C C 40 177.700 178.977 -1.277 1
1 442 . 8 1 1 A 41 41 ARG CA C 40 59.500 59.522 -0.022 1
1 443 . 8 1 1 A 41 41 ARG CB C 40 30.300 30.357 -0.057 1
1 444 . 8 1 1 A 42 42 ASN H H 41 8.190 8.676 -0.486 1
1 445 . 8 1 1 A 42 42 ASN HA H 41 4.440 4.471 -0.031 1
1 450 . 8 1 1 A 42 42 ASN C C 41 177.700 178.052 -0.352 1
1 451 . 8 1 1 A 42 42 ASN CA C 41 55.900 55.908 -0.008 1
1 452 . 8 1 1 A 42 42 ASN CB C 41 38.100 37.922 0.178 1
1 453 . 8 1 1 A 42 42 ASN N N 41 116.300 118.791 -2.491 1
1 455 . 8 1 1 A 43 43 SER H H 42 8.130 7.903 0.227 1
1 456 . 8 1 1 A 43 43 SER HA H 42 4.300 4.142 0.158 1
1 459 . 8 1 1 A 43 43 SER C C 42 176.600 176.549 0.051 1
1 460 . 8 1 1 A 43 43 SER CA C 42 61.200 61.513 -0.313 1
1 461 . 8 1 1 A 43 43 SER CB C 42 63.100 62.583 0.517 1
1 462 . 8 1 1 A 43 43 SER N N 42 116.300 113.597 2.703 1
1 463 . 8 1 1 A 44 44 ILE H H 43 7.940 7.778 0.162 1
1 464 . 8 1 1 A 44 44 ILE HA H 43 3.860 3.844 0.016 1
1 474 . 8 1 1 A 44 44 ILE C C 43 178.400 178.399 0.001 1
1 475 . 8 1 1 A 44 44 ILE CA C 43 64.500 64.463 0.037 1
1 476 . 8 1 1 A 44 44 ILE CB C 43 37.900 37.464 0.436 1
1 480 . 8 1 1 A 44 44 ILE N N 43 122.500 118.593 3.907 1
1 481 . 8 1 1 A 45 45 LEU H H 44 8.070 8.227 -0.157 1
1 482 . 8 1 1 A 45 45 LEU HA H 44 3.940 4.026 -0.086 1
1 492 . 8 1 1 A 45 45 LEU C C 44 178.200 179.735 -1.535 1
1 493 . 8 1 1 A 45 45 LEU CA C 44 58.100 57.619 0.481 1
1 494 . 8 1 1 A 45 45 LEU CB C 44 41.100 40.665 0.435 1
1 498 . 8 1 1 A 45 45 LEU N N 44 119.100 121.957 -2.857 1
1 499 . 8 1 1 A 46 46 ALA H H 45 7.760 7.875 -0.115 1
1 500 . 8 1 1 A 46 46 ALA HA H 45 4.100 4.062 0.038 1
1 504 . 8 1 1 A 46 46 ALA C C 45 178.700 179.799 -1.099 1
1 505 . 8 1 1 A 46 46 ALA CA C 45 54.100 55.069 -0.969 1
1 506 . 8 1 1 A 46 46 ALA CB C 45 18.100 18.066 0.034 1
1 507 . 8 1 1 A 46 46 ALA N N 45 117.600 122.155 -4.555 1
1 508 . 8 1 1 A 47 47 GLN H H 46 7.570 7.605 -0.035 1
1 509 . 8 1 1 A 47 47 GLN HA H 46 4.270 4.088 0.182 1
1 514 . 8 1 1 A 47 47 GLN C C 46 177.800 178.708 -0.908 1
1 515 . 8 1 1 A 47 47 GLN CA C 46 57.300 58.808 -1.508 1
1 516 . 8 1 1 A 47 47 GLN CB C 46 29.500 28.541 0.959 1
1 518 . 8 1 1 A 47 47 GLN N N 46 114.300 117.941 -3.641 1
1 519 . 8 1 1 A 48 48 VAL H H 47 7.690 7.228 0.462 1
1 520 . 8 1 1 A 48 48 VAL HA H 47 4.380 4.018 0.362 1
1 528 . 8 1 1 A 48 48 VAL C C 47 174.400 175.844 -1.444 1
1 529 . 8 1 1 A 48 48 VAL CA C 47 62.600 64.620 -2.020 1
1 530 . 8 1 1 A 48 48 VAL CB C 47 32.800 32.816 -0.016 1
1 533 . 8 1 1 A 48 48 VAL N N 47 111.900 116.762 -4.862 1
1 534 . 8 1 1 A 49 49 LEU H H 48 7.480 7.903 -0.423 1
1 535 . 8 1 1 A 49 49 LEU HA H 48 4.910 4.475 0.435 1
1 545 . 8 1 1 A 49 49 LEU C C 48 177.000 176.015 0.985 1
1 546 . 8 1 1 A 49 49 LEU CA C 48 53.700 53.713 -0.013 1
1 547 . 8 1 1 A 49 49 LEU CB C 48 44.500 43.005 1.495 1
1 551 . 8 1 1 A 49 49 LEU N N 48 119.600 118.624 0.976 1
1 552 . 8 1 1 A 50 50 ASP H H 49 8.430 8.943 -0.513 1
1 553 . 8 1 1 A 50 50 ASP HA H 49 4.630 4.544 0.086 1
1 556 . 8 1 1 A 50 50 ASP C C 49 176.000 177.310 -1.310 1
1 557 . 8 1 1 A 50 50 ASP CA C 49 53.000 54.556 -1.556 1
1 558 . 8 1 1 A 50 50 ASP CB C 49 40.200 42.871 -2.671 1
1 559 . 8 1 1 A 50 50 ASP N N 49 121.200 125.553 -4.353 1
1 560 . 8 1 1 A 51 51 GLN H H 50 8.580 9.018 -0.438 1
1 561 . 8 1 1 A 51 51 GLN HA H 50 3.950 3.945 0.005 1
1 566 . 8 1 1 A 51 51 GLN C C 50 178.800 177.709 1.091 1
1 567 . 8 1 1 A 51 51 GLN CA C 50 60.200 59.337 0.863 1
1 568 . 8 1 1 A 51 51 GLN CB C 50 28.300 28.370 -0.070 1
1 570 . 8 1 1 A 51 51 GLN N N 50 118.200 125.859 -7.659 1
1 571 . 8 1 1 A 52 52 SER H H 51 8.430 8.497 -0.067 1
1 572 . 8 1 1 A 52 52 SER HA H 51 4.320 4.130 0.190 1
1 575 . 8 1 1 A 52 52 SER C C 51 177.200 176.234 0.966 1
1 576 . 8 1 1 A 52 52 SER CA C 51 61.500 61.800 -0.300 1
1 577 . 8 1 1 A 52 52 SER CB C 51 62.400 62.968 -0.568 1
1 578 . 8 1 1 A 52 52 SER N N 51 117.000 117.126 -0.126 1
1 579 . 8 1 1 A 53 53 ALA H H 52 8.760 7.799 0.961 1
1 580 . 8 1 1 A 53 53 ALA HA H 52 3.960 4.039 -0.079 1
1 584 . 8 1 1 A 53 53 ALA C C 52 178.900 179.357 -0.457 1
1 585 . 8 1 1 A 53 53 ALA CA C 52 55.400 54.919 0.481 1
1 586 . 8 1 1 A 53 53 ALA CB C 52 19.200 18.267 0.933 1
1 587 . 8 1 1 A 53 53 ALA N N 52 127.400 123.596 3.804 1
1 588 . 8 1 1 A 54 54 ARG H H 53 8.640 7.862 0.778 1
1 589 . 8 1 1 A 54 54 ARG HA H 53 3.880 4.046 -0.166 1
1 596 . 8 1 1 A 54 54 ARG C C 53 179.000 179.108 -0.108 1
1 597 . 8 1 1 A 54 54 ARG CA C 53 59.700 59.337 0.363 1
1 598 . 8 1 1 A 54 54 ARG CB C 53 29.900 29.229 0.671 1
1 601 . 8 1 1 A 54 54 ARG N N 53 118.200 117.869 0.331 1
1 602 . 8 1 1 A 55 55 ALA H H 54 7.960 8.029 -0.069 1
1 603 . 8 1 1 A 55 55 ALA HA H 54 4.190 4.032 0.158 1
1 607 . 8 1 1 A 55 55 ALA C C 54 180.100 179.356 0.744 1
1 608 . 8 1 1 A 55 55 ALA CA C 54 55.100 55.239 -0.139 1
1 609 . 8 1 1 A 55 55 ALA CB C 54 17.700 18.313 -0.613 1
1 610 . 8 1 1 A 55 55 ALA N N 54 122.200 122.522 -0.322 1
1 611 . 8 1 1 A 56 56 ARG H H 55 7.800 7.651 0.149 1
1 612 . 8 1 1 A 56 56 ARG HA H 55 4.160 4.152 0.008 1
1 619 . 8 1 1 A 56 56 ARG C C 55 178.900 178.222 0.678 1
1 620 . 8 1 1 A 56 56 ARG CA C 55 58.300 58.678 -0.378 1
1 621 . 8 1 1 A 56 56 ARG CB C 55 29.100 30.011 -0.911 1
1 624 . 8 1 1 A 56 56 ARG N N 55 119.100 118.919 0.181 1
1 625 . 8 1 1 A 57 57 LEU H H 56 8.390 8.434 -0.044 1
1 626 . 8 1 1 A 57 57 LEU HA H 56 4.060 4.081 -0.021 1
1 635 . 8 1 1 A 57 57 LEU C C 56 178.100 178.828 -0.728 1
1 636 . 8 1 1 A 57 57 LEU CA C 56 57.800 58.027 -0.227 1
1 637 . 8 1 1 A 57 57 LEU CB C 56 41.600 41.324 0.276 1
1 641 . 8 1 1 A 57 57 LEU N N 56 120.600 121.278 -0.678 1
1 642 . 8 1 1 A 58 58 SER H H 57 8.150 8.008 0.142 1
1 643 . 8 1 1 A 58 58 SER HA H 57 4.210 4.054 0.156 1
1 646 . 8 1 1 A 58 58 SER C C 57 176.500 175.892 0.608 1
1 647 . 8 1 1 A 58 58 SER CA C 57 61.800 62.063 -0.263 1
1 648 . 8 1 1 A 58 58 SER CB C 57 62.600 62.846 -0.246 1
1 649 . 8 1 1 A 58 58 SER N N 57 114.100 116.644 -2.544 1
1 650 . 8 1 1 A 59 59 ASN H H 58 7.700 8.199 -0.499 1
1 651 . 8 1 1 A 59 59 ASN HA H 58 4.580 4.441 0.139 1
1 656 . 8 1 1 A 59 59 ASN C C 58 178.000 177.707 0.293 1
1 657 . 8 1 1 A 59 59 ASN CA C 58 56.200 56.828 -0.628 1
1 658 . 8 1 1 A 59 59 ASN CB C 58 38.700 39.428 -0.728 1
1 659 . 8 1 1 A 59 59 ASN N N 58 119.500 120.429 -0.929 1
1 661 . 8 1 1 A 60 60 LEU H H 59 8.250 8.264 -0.014 1
1 662 . 8 1 1 A 60 60 LEU HA H 59 4.070 4.057 0.013 1
1 671 . 8 1 1 A 60 60 LEU C C 59 178.400 179.557 -1.157 1
1 672 . 8 1 1 A 60 60 LEU CA C 59 57.500 57.952 -0.452 1
1 673 . 8 1 1 A 60 60 LEU CB C 59 42.100 40.806 1.294 1
1 677 . 8 1 1 A 60 60 LEU N N 59 123.000 119.272 3.728 1
1 678 . 8 1 1 A 61 61 ALA H H 60 8.070 8.053 0.017 1
1 679 . 8 1 1 A 61 61 ALA HA H 60 3.910 4.438 -0.528 1
1 683 . 8 1 1 A 61 61 ALA C C 60 178.400 179.329 -0.929 1
1 684 . 8 1 1 A 61 61 ALA CA C 60 54.600 54.946 -0.346 1
1 685 . 8 1 1 A 61 61 ALA CB C 60 18.200 18.367 -0.167 1
1 686 . 8 1 1 A 61 61 ALA N N 60 120.700 122.224 -1.524 1
1 687 . 8 1 1 A 62 62 LEU H H 61 7.170 7.694 -0.524 1
1 688 . 8 1 1 A 62 62 LEU HA H 61 4.200 4.129 0.071 1
1 695 . 8 1 1 A 62 62 LEU C C 61 178.300 178.191 0.109 1
1 696 . 8 1 1 A 62 62 LEU CA C 61 56.500 57.040 -0.540 1
1 697 . 8 1 1 A 62 62 LEU CB C 61 42.100 41.952 0.148 1
1 701 . 8 1 1 A 62 62 LEU N N 61 113.700 118.845 -5.145 1
1 702 . 8 1 1 A 63 63 VAL H H 62 7.330 6.911 0.419 1
1 703 . 8 1 1 A 63 63 VAL HA H 62 4.380 4.309 0.071 1
1 711 . 8 1 1 A 63 63 VAL C C 62 176.200 176.026 0.174 1
1 712 . 8 1 1 A 63 63 VAL CA C 62 62.800 62.651 0.149 1
1 713 . 8 1 1 A 63 63 VAL CB C 62 33.900 33.199 0.701 1
1 716 . 8 1 1 A 63 63 VAL N N 62 112.500 110.644 1.856 1
1 717 . 8 1 1 A 64 64 LYS H H 63 8.710 8.209 0.501 1
1 718 . 8 1 1 A 64 64 LYS HA H 63 5.000 4.661 0.339 1
1 727 . 8 1 1 A 64 64 LYS C C 63 174.200 175.566 -1.366 1
1 728 . 8 1 1 A 64 64 LYS CA C 63 53.600 53.535 0.065 1
1 729 . 8 1 1 A 64 64 LYS CB C 63 33.400 32.459 0.941 1
1 733 . 8 1 1 A 64 64 LYS N N 63 120.400 119.643 0.757 1
1 734 . 8 1 1 A 65 65 PRO HA H 64 4.360 4.518 -0.158 1
1 741 . 8 1 1 A 65 65 PRO C C 64 179.400 178.635 0.765 1
1 742 . 8 1 1 A 65 65 PRO CA C 64 66.000 64.805 1.195 1
1 743 . 8 1 1 A 65 65 PRO CB C 64 31.400 32.130 -0.730 1
1 746 . 8 1 1 A 66 66 GLU H H 65 8.920 8.374 0.546 1
1 747 . 8 1 1 A 66 66 GLU HA H 65 4.200 4.057 0.143 1
1 752 . 8 1 1 A 66 66 GLU C C 65 179.600 179.502 0.098 1
1 753 . 8 1 1 A 66 66 GLU CA C 65 59.400 59.923 -0.523 1
1 754 . 8 1 1 A 66 66 GLU CB C 65 28.300 29.019 -0.719 1
1 756 . 8 1 1 A 66 66 GLU N N 65 118.700 117.888 0.812 1
1 757 . 8 1 1 A 67 67 LYS H H 66 8.000 7.809 0.191 1
1 758 . 8 1 1 A 67 67 LYS HA H 66 4.160 4.163 -0.003 1
1 767 . 8 1 1 A 67 67 LYS C C 66 178.400 179.069 -0.669 1
1 768 . 8 1 1 A 67 67 LYS CA C 66 58.500 58.846 -0.346 1
1 769 . 8 1 1 A 67 67 LYS CB C 66 32.300 32.079 0.221 1
1 773 . 8 1 1 A 67 67 LYS N N 66 121.300 118.996 2.304 1
1 774 . 8 1 1 A 68 68 THR H H 67 7.960 7.667 0.293 1
1 775 . 8 1 1 A 68 68 THR HA H 67 4.130 3.829 0.301 1
1 780 . 8 1 1 A 68 68 THR C C 67 176.200 176.183 0.017 1
1 781 . 8 1 1 A 68 68 THR CA C 67 67.800 67.356 0.444 1
1 782 . 8 1 1 A 68 68 THR CB C 67 67.800 68.561 -0.761 1
1 784 . 8 1 1 A 68 68 THR N N 67 114.200 117.032 -2.832 1
1 785 . 8 1 1 A 69 69 LYS H H 68 7.770 8.175 -0.405 1
1 786 . 8 1 1 A 69 69 LYS HA H 68 3.990 4.126 -0.136 1
1 795 . 8 1 1 A 69 69 LYS C C 68 178.100 178.735 -0.635 1
1 796 . 8 1 1 A 69 69 LYS CA C 68 59.400 58.967 0.433 1
1 797 . 8 1 1 A 69 69 LYS CB C 68 31.700 32.202 -0.502 1
1 801 . 8 1 1 A 69 69 LYS N N 68 122.000 121.776 0.224 1
1 802 . 8 1 1 A 70 70 ALA H H 69 7.480 7.579 -0.099 1
1 803 . 8 1 1 A 70 70 ALA HA H 69 4.240 4.092 0.148 1
1 807 . 8 1 1 A 70 70 ALA C C 69 181.200 179.727 1.473 1
1 808 . 8 1 1 A 70 70 ALA CA C 69 55.200 55.029 0.171 1
1 809 . 8 1 1 A 70 70 ALA CB C 69 17.900 18.333 -0.433 1
1 810 . 8 1 1 A 70 70 ALA N N 69 120.300 122.199 -1.899 1
1 811 . 8 1 1 A 71 71 VAL H H 70 8.160 8.249 -0.089 1
1 812 . 8 1 1 A 71 71 VAL HA H 70 3.620 3.811 -0.191 1
1 820 . 8 1 1 A 71 71 VAL C C 70 177.400 178.155 -0.755 1
1 821 . 8 1 1 A 71 71 VAL CA C 70 66.600 65.190 1.410 1
1 822 . 8 1 1 A 71 71 VAL CB C 70 31.500 31.573 -0.073 1
1 825 . 8 1 1 A 71 71 VAL N N 70 120.300 116.706 3.594 1
1 826 . 8 1 1 A 72 72 GLU H H 71 8.690 8.941 -0.251 1
1 827 . 8 1 1 A 72 72 GLU HA H 71 3.800 3.989 -0.189 1
1 832 . 8 1 1 A 72 72 GLU C C 71 178.000 178.948 -0.948 1
1 833 . 8 1 1 A 72 72 GLU CA C 71 60.400 59.698 0.702 1
1 834 . 8 1 1 A 72 72 GLU CB C 71 29.200 29.159 0.041 1
1 836 . 8 1 1 A 72 72 GLU N N 71 119.300 122.255 -2.955 1
1 837 . 8 1 1 A 73 73 ASN H H 72 8.460 8.209 0.251 1
1 838 . 8 1 1 A 73 73 ASN HA H 72 4.440 4.431 0.009 1
1 843 . 8 1 1 A 73 73 ASN C C 72 177.600 177.034 0.566 1
1 844 . 8 1 1 A 73 73 ASN CA C 72 56.200 56.262 -0.062 1
1 845 . 8 1 1 A 73 73 ASN CB C 72 37.600 39.264 -1.664 1
1 846 . 8 1 1 A 73 73 ASN N N 72 115.900 118.735 -2.835 1
1 848 . 8 1 1 A 74 74 TYR H H 73 7.940 8.082 -0.142 1
1 849 . 8 1 1 A 74 74 TYR HA H 73 4.200 4.271 -0.071 1
1 856 . 8 1 1 A 74 74 TYR C C 73 177.600 177.061 0.539 1
1 857 . 8 1 1 A 74 74 TYR CA C 73 61.500 61.464 0.036 1
1 858 . 8 1 1 A 74 74 TYR CB C 73 38.400 38.895 -0.495 1
1 863 . 8 1 1 A 74 74 TYR N N 73 122.400 120.345 2.055 1
1 864 . 8 1 1 A 75 75 LEU H H 74 8.410 9.036 -0.626 1
1 865 . 8 1 1 A 75 75 LEU HA H 74 3.930 3.970 -0.040 1
1 875 . 8 1 1 A 75 75 LEU C C 74 178.500 179.270 -0.770 1
1 876 . 8 1 1 A 75 75 LEU CA C 74 58.100 57.887 0.213 1
1 877 . 8 1 1 A 75 75 LEU CB C 74 42.600 41.436 1.164 1
1 881 . 8 1 1 A 75 75 LEU N N 74 119.500 120.129 -0.629 1
1 882 . 8 1 1 A 76 76 ILE H H 75 8.400 8.438 -0.038 1
1 883 . 8 1 1 A 76 76 ILE HA H 75 3.570 3.492 0.078 1
1 890 . 8 1 1 A 76 76 ILE C C 75 178.100 178.001 0.099 1
1 891 . 8 1 1 A 76 76 ILE CA C 75 65.200 65.443 -0.243 1
1 892 . 8 1 1 A 76 76 ILE CB C 75 37.800 37.778 0.022 1
1 896 . 8 1 1 A 76 76 ILE N N 75 118.600 120.150 -1.550 1
1 897 . 8 1 1 A 77 77 GLN H H 76 7.830 7.483 0.347 1
1 898 . 8 1 1 A 77 77 GLN HA H 76 3.920 4.058 -0.138 1
1 903 . 8 1 1 A 77 77 GLN C C 76 178.100 178.804 -0.704 1
1 904 . 8 1 1 A 77 77 GLN CA C 76 59.100 58.633 0.467 1
1 905 . 8 1 1 A 77 77 GLN CB C 76 28.000 28.203 -0.203 1
1 907 . 8 1 1 A 77 77 GLN N N 76 119.300 118.831 0.469 1
1 908 . 8 1 1 A 78 78 MET H H 77 8.060 8.455 -0.395 1
1 909 . 8 1 1 A 78 78 MET HA H 77 4.040 4.099 -0.059 1
1 912 . 8 1 1 A 78 78 MET C C 77 178.700 177.976 0.724 1
1 913 . 8 1 1 A 78 78 MET CA C 77 58.600 58.595 0.005 1
1 914 . 8 1 1 A 78 78 MET CB C 77 33.000 32.250 0.750 1
1 916 . 8 1 1 A 78 78 MET N N 77 117.600 119.688 -2.088 1
1 917 . 8 1 1 A 79 79 ALA H H 78 8.210 8.089 0.121 1
1 918 . 8 1 1 A 79 79 ALA HA H 78 4.190 4.025 0.165 1
1 922 . 8 1 1 A 79 79 ALA C C 78 180.600 179.514 1.086 1
1 923 . 8 1 1 A 79 79 ALA CA C 78 54.100 55.255 -1.155 1
1 924 . 8 1 1 A 79 79 ALA CB C 78 18.400 18.205 0.195 1
1 925 . 8 1 1 A 79 79 ALA N N 78 121.400 121.378 0.022 1
1 926 . 8 1 1 A 80 80 ARG H H 79 8.120 7.614 0.506 1
1 927 . 8 1 1 A 80 80 ARG HA H 79 3.960 4.017 -0.057 1
1 934 . 8 1 1 A 80 80 ARG C C 79 177.900 178.652 -0.752 1
1 935 . 8 1 1 A 80 80 ARG CA C 79 58.800 58.388 0.412 1
1 936 . 8 1 1 A 80 80 ARG CB C 79 29.900 29.877 0.023 1
1 939 . 8 1 1 A 80 80 ARG N N 79 119.100 119.402 -0.302 1
1 940 . 8 1 1 A 81 81 TYR H H 80 7.800 7.781 0.019 1
1 941 . 8 1 1 A 81 81 TYR HA H 80 4.710 4.397 0.313 1
1 948 . 8 1 1 A 81 81 TYR C C 80 176.500 176.448 0.052 1
1 949 . 8 1 1 A 81 81 TYR CA C 80 57.500 59.655 -2.155 1
1 950 . 8 1 1 A 81 81 TYR CB C 80 38.100 38.776 -0.676 1
1 955 . 8 1 1 A 81 81 TYR N N 80 115.900 116.972 -1.072 1
1 956 . 8 1 1 A 82 82 GLY H H 81 7.850 7.878 -0.028 1
1 957 . 8 1 1 A 82 82 GLY HA2 H 81 4.030 4.012 0.018 1
1 958 . 8 1 1 A 82 82 GLY HA3 H 81 4.030 4.017 0.013 1
1 959 . 8 1 1 A 82 82 GLY C C 81 174.900 175.135 -0.235 1
1 960 . 8 1 1 A 82 82 GLY CA C 81 46.300 46.136 0.164 1
1 961 . 8 1 1 A 82 82 GLY N N 81 108.500 108.172 0.328 1
1 962 . 8 1 1 A 83 83 GLN H H 82 8.200 8.042 0.158 1
1 963 . 8 1 1 A 83 83 GLN HA H 82 4.310 4.382 -0.072 1
1 968 . 8 1 1 A 83 83 GLN C C 82 175.500 175.344 0.156 1
1 969 . 8 1 1 A 83 83 GLN CA C 82 55.700 56.028 -0.328 1
1 970 . 8 1 1 A 83 83 GLN CB C 82 29.400 29.173 0.227 1
1 972 . 8 1 1 A 83 83 GLN N N 82 116.900 117.312 -0.412 1
1 973 . 8 1 1 A 84 84 LEU H H 83 7.990 7.406 0.584 1
1 974 . 8 1 1 A 84 84 LEU HA H 83 4.610 4.849 -0.239 1
1 984 . 8 1 1 A 84 84 LEU C C 83 176.500 176.381 0.119 1
1 985 . 8 1 1 A 84 84 LEU CA C 83 54.300 52.752 1.548 1
1 986 . 8 1 1 A 84 84 LEU CB C 83 42.600 44.749 -2.149 1
1 990 . 8 1 1 A 84 84 LEU N N 83 121.400 116.453 4.947 1
1 991 . 8 1 1 A 85 85 SER H H 84 8.630 8.777 -0.147 1
1 992 . 8 1 1 A 85 85 SER HA H 84 4.410 4.590 -0.180 1
1 995 . 8 1 1 A 85 85 SER C C 84 173.700 174.235 -0.535 1
1 996 . 8 1 1 A 85 85 SER CA C 84 59.400 60.412 -1.012 1
1 997 . 8 1 1 A 85 85 SER CB C 84 63.900 63.731 0.169 1
1 998 . 8 1 1 A 85 85 SER N N 84 118.400 114.097 4.303 1
1 999 . 8 1 1 A 86 86 GLU H H 85 7.690 7.768 -0.078 1
1 1000 . 8 1 1 A 86 86 GLU HA H 85 4.530 4.825 -0.295 1
1 1005 . 8 1 1 A 86 86 GLU C C 85 175.400 175.967 -0.567 1
1 1006 . 8 1 1 A 86 86 GLU CA C 85 54.900 54.648 0.252 1
1 1007 . 8 1 1 A 86 86 GLU CB C 85 31.200 33.090 -1.890 1
1 1009 . 8 1 1 A 86 86 GLU N N 85 119.400 117.240 2.160 1
1 1010 . 8 1 1 A 87 87 LYS H H 86 8.380 8.404 -0.024 1
1 1011 . 8 1 1 A 87 87 LYS HA H 86 4.230 4.685 -0.455 1
1 1018 . 8 1 1 A 87 87 LYS C C 86 176.900 176.662 0.238 1
1 1019 . 8 1 1 A 87 87 LYS CA C 86 57.000 56.889 0.111 1
1 1020 . 8 1 1 A 87 87 LYS CB C 86 33.300 32.490 0.810 1
1 1024 . 8 1 1 A 87 87 LYS N N 86 120.400 120.635 -0.235 1
1 1025 . 8 1 1 A 88 88 VAL H H 87 8.960 9.410 -0.450 1
1 1026 . 8 1 1 A 88 88 VAL HA H 87 3.970 4.541 -0.571 1
1 1034 . 8 1 1 A 88 88 VAL C C 87 174.700 175.645 -0.945 1
1 1035 . 8 1 1 A 88 88 VAL CA C 87 63.300 61.259 2.041 1
1 1036 . 8 1 1 A 88 88 VAL CB C 87 32.400 33.443 -1.043 1
1 1038 . 8 1 1 A 88 88 VAL N N 87 125.200 125.309 -0.109 1
1 1039 . 8 1 1 A 89 89 SER H H 88 8.190 9.025 -0.835 1
1 1040 . 8 1 1 A 89 89 SER HA H 88 4.990 4.604 0.386 1
1 1043 . 8 1 1 A 89 89 SER C C 88 175.700 175.813 -0.113 1
1 1044 . 8 1 1 A 89 89 SER CA C 88 56.200 57.853 -1.653 1
1 1045 . 8 1 1 A 89 89 SER CB C 88 66.600 64.518 2.082 1
1 1046 . 8 1 1 A 89 89 SER N N 88 121.700 121.435 0.265 1
1 1047 . 8 1 1 A 90 90 GLU H H 89 9.230 8.826 0.404 1
1 1048 . 8 1 1 A 90 90 GLU HA H 89 3.720 3.986 -0.266 1
1 1053 . 8 1 1 A 90 90 GLU C C 89 177.700 178.444 -0.744 1
1 1054 . 8 1 1 A 90 90 GLU CA C 89 61.200 59.768 1.432 1
1 1055 . 8 1 1 A 90 90 GLU CB C 89 29.100 29.349 -0.249 1
1 1057 . 8 1 1 A 90 90 GLU N N 89 121.600 123.278 -1.678 1
1 1058 . 8 1 1 A 91 91 GLN H H 90 8.430 8.136 0.294 1
1 1059 . 8 1 1 A 91 91 GLN HA H 90 4.040 4.064 -0.024 1
1 1066 . 8 1 1 A 91 91 GLN C C 90 178.900 179.502 -0.602 1
1 1067 . 8 1 1 A 91 91 GLN CA C 90 59.100 58.785 0.315 1
1 1068 . 8 1 1 A 91 91 GLN CB C 90 27.800 28.358 -0.558 1
1 1070 . 8 1 1 A 91 91 GLN N N 90 117.100 118.705 -1.605 1
1 1072 . 8 1 1 A 92 92 GLY H H 91 8.080 8.296 -0.216 1
1 1073 . 8 1 1 A 92 92 GLY HA2 H 91 3.890 3.653 0.237 1
1 1074 . 8 1 1 A 92 92 GLY HA3 H 91 3.890 3.661 0.229 1
1 1075 . 8 1 1 A 92 92 GLY C C 91 176.600 175.855 0.745 1
1 1076 . 8 1 1 A 92 92 GLY CA C 91 46.900 47.360 -0.460 1
1 1077 . 8 1 1 A 92 92 GLY N N 91 109.400 109.577 -0.177 1
1 1078 . 8 1 1 A 93 93 LEU H H 92 8.610 7.831 0.779 1
1 1079 . 8 1 1 A 93 93 LEU HA H 92 4.000 4.133 -0.133 1
1 1089 . 8 1 1 A 93 93 LEU C C 92 178.000 178.436 -0.436 1
1 1090 . 8 1 1 A 93 93 LEU CA C 92 57.500 57.334 0.166 1
1 1091 . 8 1 1 A 93 93 LEU CB C 92 41.800 41.524 0.276 1
1 1095 . 8 1 1 A 93 93 LEU N N 92 123.700 122.297 1.403 1
1 1096 . 8 1 1 A 94 94 ILE H H 93 7.970 8.465 -0.495 1
1 1097 . 8 1 1 A 94 94 ILE HA H 93 3.640 3.608 0.032 1
1 1107 . 8 1 1 A 94 94 ILE C C 93 178.500 178.492 0.008 1
1 1108 . 8 1 1 A 94 94 ILE CA C 93 64.800 65.031 -0.231 1
1 1109 . 8 1 1 A 94 94 ILE CB C 93 37.100 37.283 -0.183 1
1 1113 . 8 1 1 A 94 94 ILE N N 93 119.900 119.866 0.034 1
1 1114 . 8 1 1 A 95 95 GLU H H 94 7.610 8.052 -0.442 1
1 1115 . 8 1 1 A 95 95 GLU HA H 94 4.090 4.011 0.079 1
1 1120 . 8 1 1 A 95 95 GLU C C 94 179.400 179.708 -0.308 1
1 1121 . 8 1 1 A 95 95 GLU CA C 94 59.200 59.413 -0.213 1
1 1122 . 8 1 1 A 95 95 GLU CB C 94 28.800 30.134 -1.334 1
1 1124 . 8 1 1 A 95 95 GLU N N 94 118.800 121.523 -2.723 1
1 1125 . 8 1 1 A 96 96 ILE H H 95 7.840 7.930 -0.090 1
1 1126 . 8 1 1 A 96 96 ILE HA H 95 3.520 3.524 -0.004 1
1 1136 . 8 1 1 A 96 96 ILE C C 95 177.500 177.913 -0.413 1
1 1137 . 8 1 1 A 96 96 ILE CA C 95 65.500 65.044 0.456 1
1 1138 . 8 1 1 A 96 96 ILE CB C 95 37.900 37.177 0.723 1
1 1142 . 8 1 1 A 96 96 ILE N N 95 121.600 120.890 0.710 1
1 1143 . 8 1 1 A 97 97 LEU H H 96 8.620 8.433 0.187 1
1 1144 . 8 1 1 A 97 97 LEU HA H 96 3.800 3.941 -0.141 1
1 1151 . 8 1 1 A 97 97 LEU C C 96 179.400 178.573 0.827 1
1 1152 . 8 1 1 A 97 97 LEU CA C 96 58.600 58.264 0.336 1
1 1153 . 8 1 1 A 97 97 LEU CB C 96 41.500 41.731 -0.231 1
1 1156 . 8 1 1 A 97 97 LEU N N 96 120.400 121.260 -0.860 1
1 1157 . 8 1 1 A 98 98 LYS H H 97 7.750 7.773 -0.023 1
1 1158 . 8 1 1 A 98 98 LYS HA H 97 3.990 3.905 0.085 1
1 1167 . 8 1 1 A 98 98 LYS C C 97 178.600 179.911 -1.311 1
1 1168 . 8 1 1 A 98 98 LYS CA C 97 59.400 60.295 -0.895 1
1 1169 . 8 1 1 A 98 98 LYS CB C 97 32.300 32.088 0.212 1
1 1172 . 8 1 1 A 98 98 LYS N N 97 119.000 119.782 -0.782 1
1 1173 . 8 1 1 A 99 99 LYS H H 98 7.710 7.218 0.492 1
1 1174 . 8 1 1 A 99 99 LYS HA H 98 4.110 4.021 0.089 1
1 1183 . 8 1 1 A 99 99 LYS C C 98 179.100 179.622 -0.522 1
1 1184 . 8 1 1 A 99 99 LYS CA C 98 59.100 59.704 -0.604 1
1 1185 . 8 1 1 A 99 99 LYS CB C 98 32.500 32.208 0.292 1
1 1189 . 8 1 1 A 99 99 LYS N N 98 119.500 119.681 -0.181 1
1 1190 . 8 1 1 A 100 100 VAL H H 99 8.210 7.578 0.632 1
1 1191 . 8 1 1 A 100 100 VAL HA H 99 3.920 3.937 -0.017 1
1 1196 . 8 1 1 A 100 100 VAL C C 99 177.600 178.019 -0.419 1
1 1197 . 8 1 1 A 100 100 VAL CA C 99 64.200 64.694 -0.494 1
1 1198 . 8 1 1 A 100 100 VAL CB C 99 31.500 31.194 0.306 1
1 1200 . 8 1 1 A 100 100 VAL N N 99 115.800 114.690 1.110 1
1 1201 . 8 1 1 A 101 101 SER H H 100 7.900 8.081 -0.181 1
1 1202 . 8 1 1 A 101 101 SER HA H 100 4.340 4.269 0.071 1
1 1205 . 8 1 1 A 101 101 SER C C 100 174.600 175.240 -0.640 1
1 1206 . 8 1 1 A 101 101 SER CA C 100 60.400 61.706 -1.306 1
1 1207 . 8 1 1 A 101 101 SER CB C 100 63.600 63.160 0.440 1
1 1208 . 8 1 1 A 101 101 SER N N 100 116.500 117.395 -0.895 1
1 1209 . 8 1 1 A 102 102 GLN H H 101 7.860 7.512 0.348 1
1 1210 . 8 1 1 A 102 102 GLN HA H 101 4.280 4.426 -0.146 1
1 1215 . 8 1 1 A 102 102 GLN C C 101 176.400 176.572 -0.172 1
1 1216 . 8 1 1 A 102 102 GLN CA C 101 56.800 56.872 -0.072 1
1 1217 . 8 1 1 A 102 102 GLN CB C 101 28.900 30.330 -1.430 1
1 1219 . 8 1 1 A 102 102 GLN N N 101 120.100 116.607 3.493 1
1 1220 . 8 1 1 A 103 103 GLN H H 102 8.080 8.463 -0.383 1
1 1221 . 8 1 1 A 103 103 GLN HA H 102 4.360 4.620 -0.260 1
1 1226 . 8 1 1 A 103 103 GLN C C 102 176.500 176.655 -0.155 1
1 1227 . 8 1 1 A 103 103 GLN CA C 102 56.700 56.111 0.589 1
1 1228 . 8 1 1 A 103 103 GLN CB C 102 29.000 30.221 -1.221 1
1 1230 . 8 1 1 A 103 103 GLN N N 102 119.700 114.394 5.306 1
1 1231 . 8 1 1 A 104 104 THR H H 103 8.070 7.654 0.416 1
1 1232 . 8 1 1 A 104 104 THR HA H 103 4.350 4.495 -0.145 1
1 1237 . 8 1 1 A 104 104 THR C C 103 174.700 174.248 0.452 1
1 1238 . 8 1 1 A 104 104 THR CA C 103 62.500 62.920 -0.420 1
1 1239 . 8 1 1 A 104 104 THR CB C 103 69.800 71.074 -1.274 1
1 1241 . 8 1 1 A 104 104 THR N N 103 113.900 109.634 4.266 1
1 1242 . 8 1 1 A 105 105 GLU H H 104 8.290 7.924 0.366 1
1 1243 . 8 1 1 A 105 105 GLU HA H 104 4.350 4.579 -0.229 1
1 1248 . 8 1 1 A 105 105 GLU C C 104 176.300 174.704 1.596 1
1 1249 . 8 1 1 A 105 105 GLU CA C 104 56.700 54.948 1.752 1
1 1250 . 8 1 1 A 105 105 GLU CB C 104 29.900 31.733 -1.833 1
1 1252 . 8 1 1 A 105 105 GLU N N 104 122.900 117.589 5.311 1
1 1253 . 8 1 1 A 106 106 LYS H H 105 8.320 7.575 0.745 1
1 1254 . 8 1 1 A 106 106 LYS HA H 105 4.390 2.972 1.418 1
1 1263 . 8 1 1 A 106 106 LYS C C 105 176.800 175.501 1.299 1
1 1264 . 8 1 1 A 106 106 LYS CA C 105 56.700 57.014 -0.314 1
1 1265 . 8 1 1 A 106 106 LYS CB C 105 32.800 29.693 3.107 1
1 1269 . 8 1 1 A 106 106 LYS N N 105 121.900 116.870 5.030 1
1 1270 . 8 1 1 A 107 107 THR H H 106 8.150 7.598 0.552 1
1 1271 . 8 1 1 A 107 107 THR HA H 106 4.430 4.197 0.233 1
1 1276 . 8 1 1 A 107 107 THR C C 106 174.600 174.098 0.502 1
1 1277 . 8 1 1 A 107 107 THR CA C 106 62.000 62.735 -0.735 1
1 1278 . 8 1 1 A 107 107 THR CB C 106 70.000 68.836 1.164 1
1 1280 . 8 1 1 A 107 107 THR N N 106 115.000 114.425 0.575 1
1 1281 . 8 1 1 A 108 108 THR H H 107 8.190 8.954 -0.764 1
1 1282 . 8 1 1 A 108 108 THR HA H 107 4.440 4.576 -0.136 1
1 1287 . 8 1 1 A 108 108 THR C C 107 174.500 174.126 0.374 1
1 1288 . 8 1 1 A 108 108 THR CA C 107 62.000 62.610 -0.610 1
1 1289 . 8 1 1 A 108 108 THR CB C 107 69.800 67.548 2.252 1
1 1291 . 8 1 1 A 108 108 THR N N 107 116.500 123.518 -7.018 1
1 1292 . 8 1 1 A 109 109 THR H H 108 8.170 8.626 -0.456 1
1 1293 . 8 1 1 A 109 109 THR HA H 108 4.350 4.561 -0.211 1
1 1298 . 8 1 1 A 109 109 THR C C 108 174.200 173.563 0.637 1
1 1299 . 8 1 1 A 109 109 THR CA C 108 62.000 62.890 -0.890 1
1 1300 . 8 1 1 A 109 109 THR CB C 108 69.800 71.609 -1.809 1
1 1302 . 8 1 1 A 109 109 THR N N 108 117.200 119.993 -2.793 1
1 1303 . 8 1 1 A 110 110 VAL H H 109 8.100 7.608 0.492 1
1 1304 . 8 1 1 A 110 110 VAL HA H 109 4.040 4.116 -0.076 1
1 1312 . 8 1 1 A 110 110 VAL C C 109 175.200 175.253 -0.053 1
1 1313 . 8 1 1 A 110 110 VAL CA C 109 62.300 61.695 0.605 1
1 1314 . 8 1 1 A 110 110 VAL CB C 109 32.600 32.828 -0.228 1
1 1316 . 8 1 1 A 110 110 VAL N N 109 123.100 118.668 4.432 1
1 1317 . 8 1 1 A 111 111 LYS H H 110 8.200 8.313 -0.113 1
1 1318 . 8 1 1 A 111 111 LYS HA H 110 4.310 4.478 -0.168 1
1 1327 . 8 1 1 A 111 111 LYS C C 110 175.700 174.512 1.188 1
1 1328 . 8 1 1 A 111 111 LYS CA C 110 55.700 55.287 0.413 1
1 1329 . 8 1 1 A 111 111 LYS CB C 110 33.300 31.881 1.419 1
1 1333 . 8 1 1 A 111 111 LYS N N 110 125.200 126.833 -1.633 1
1 1334 . 8 1 1 A 112 112 PHE H H 111 8.310 8.788 -0.478 1
1 1335 . 8 1 1 A 112 112 PHE HA H 111 4.650 4.891 -0.241 1
1 1338 . 8 1 1 A 112 112 PHE C C 111 174.500 175.659 -1.159 1
1 1339 . 8 1 1 A 112 112 PHE CA C 111 57.500 58.140 -0.640 1
1 1340 . 8 1 1 A 112 112 PHE CB C 111 39.700 39.680 0.020 1
1 1341 . 8 1 1 A 112 112 PHE N N 111 122.100 126.474 -4.374 1
1 1 . 9 1 1 A 2 2 SER H H 1 8.780 8.496 0.284 1
1 2 . 9 1 1 A 2 2 SER HA H 1 4.480 4.805 -0.325 1
1 5 . 9 1 1 A 2 2 SER C C 1 175.000 173.300 1.700 1
1 6 . 9 1 1 A 2 2 SER CA C 1 59.100 56.705 2.395 1
1 7 . 9 1 1 A 2 2 SER CB C 1 63.900 64.719 -0.819 1
1 8 . 9 1 1 A 2 2 SER N N 1 116.600 118.389 -1.789 1
1 9 . 9 1 1 A 3 3 ALA H H 2 8.710 8.861 -0.151 1
1 10 . 9 1 1 A 3 3 ALA HA H 2 4.310 4.161 0.149 1
1 14 . 9 1 1 A 3 3 ALA C C 2 178.800 178.945 -0.145 1
1 15 . 9 1 1 A 3 3 ALA CA C 2 53.800 54.722 -0.922 1
1 16 . 9 1 1 A 3 3 ALA CB C 2 18.500 19.180 -0.680 1
1 17 . 9 1 1 A 3 3 ALA N N 2 125.500 125.715 -0.215 1
1 18 . 9 1 1 A 4 4 ASP H H 3 8.190 8.261 -0.071 1
1 19 . 9 1 1 A 4 4 ASP HA H 3 4.500 4.390 0.110 1
1 22 . 9 1 1 A 4 4 ASP C C 3 177.700 178.595 -0.895 1
1 23 . 9 1 1 A 4 4 ASP CA C 3 55.900 56.874 -0.974 1
1 24 . 9 1 1 A 4 4 ASP CB C 3 40.500 40.321 0.179 1
1 25 . 9 1 1 A 4 4 ASP N N 3 117.800 118.418 -0.618 1
1 26 . 9 1 1 A 5 5 GLU H H 4 8.150 8.305 -0.155 1
1 27 . 9 1 1 A 5 5 GLU HA H 4 4.140 4.010 0.130 1
1 32 . 9 1 1 A 5 5 GLU C C 4 178.600 179.057 -0.457 1
1 33 . 9 1 1 A 5 5 GLU CA C 4 58.600 59.755 -1.155 1
1 34 . 9 1 1 A 5 5 GLU CB C 4 29.100 29.218 -0.118 1
1 36 . 9 1 1 A 5 5 GLU N N 4 120.800 119.962 0.838 1
1 37 . 9 1 1 A 6 6 GLU H H 5 8.250 8.116 0.134 1
1 38 . 9 1 1 A 6 6 GLU HA H 5 4.200 4.034 0.166 1
1 43 . 9 1 1 A 6 6 GLU C C 5 178.300 179.246 -0.946 1
1 44 . 9 1 1 A 6 6 GLU CA C 5 58.600 58.912 -0.312 1
1 45 . 9 1 1 A 6 6 GLU CB C 5 28.800 29.691 -0.891 1
1 47 . 9 1 1 A 6 6 GLU N N 5 120.800 119.769 1.031 1
1 48 . 9 1 1 A 7 7 LEU H H 6 7.990 7.695 0.295 1
1 49 . 9 1 1 A 7 7 LEU HA H 6 4.170 4.066 0.104 1
1 58 . 9 1 1 A 7 7 LEU C C 6 179.500 178.177 1.323 1
1 59 . 9 1 1 A 7 7 LEU CA C 6 57.500 57.854 -0.354 1
1 60 . 9 1 1 A 7 7 LEU CB C 6 41.600 41.893 -0.293 1
1 64 . 9 1 1 A 7 7 LEU N N 6 120.900 120.947 -0.047 1
1 65 . 9 1 1 A 8 8 GLU H H 7 8.130 8.444 -0.314 1
1 66 . 9 1 1 A 8 8 GLU HA H 7 4.160 4.065 0.095 1
1 71 . 9 1 1 A 8 8 GLU C C 7 178.300 178.894 -0.594 1
1 72 . 9 1 1 A 8 8 GLU CA C 7 58.800 59.231 -0.431 1
1 73 . 9 1 1 A 8 8 GLU CB C 7 28.800 29.001 -0.201 1
1 75 . 9 1 1 A 8 8 GLU N N 7 120.100 117.514 2.586 1
1 76 . 9 1 1 A 9 9 ALA H H 8 8.030 8.507 -0.477 1
1 77 . 9 1 1 A 9 9 ALA HA H 8 4.090 4.108 -0.018 1
1 81 . 9 1 1 A 9 9 ALA C C 8 180.500 180.165 0.335 1
1 82 . 9 1 1 A 9 9 ALA CA C 8 55.100 55.379 -0.279 1
1 83 . 9 1 1 A 9 9 ALA CB C 8 17.900 17.929 -0.029 1
1 84 . 9 1 1 A 9 9 ALA N N 8 122.100 122.871 -0.771 1
1 85 . 9 1 1 A 10 10 LEU H H 9 7.890 8.216 -0.326 1
1 86 . 9 1 1 A 10 10 LEU HA H 9 4.160 4.094 0.066 1
1 95 . 9 1 1 A 10 10 LEU C C 9 179.200 178.506 0.694 1
1 96 . 9 1 1 A 10 10 LEU CA C 9 57.500 57.628 -0.128 1
1 97 . 9 1 1 A 10 10 LEU CB C 9 41.800 41.633 0.167 1
1 101 . 9 1 1 A 10 10 LEU N N 9 119.500 119.806 -0.306 1
1 102 . 9 1 1 A 11 11 ARG H H 10 8.080 8.000 0.080 1
1 103 . 9 1 1 A 11 11 ARG HA H 10 4.010 3.879 0.131 1
1 110 . 9 1 1 A 11 11 ARG C C 10 178.900 178.864 0.036 1
1 111 . 9 1 1 A 11 11 ARG CA C 10 59.400 59.792 -0.392 1
1 112 . 9 1 1 A 11 11 ARG CB C 10 30.100 29.684 0.416 1
1 115 . 9 1 1 A 11 11 ARG N N 10 120.400 118.922 1.478 1
1 116 . 9 1 1 A 12 12 ARG H H 11 8.170 8.414 -0.244 1
1 117 . 9 1 1 A 12 12 ARG HA H 11 4.040 4.060 -0.020 1
1 124 . 9 1 1 A 12 12 ARG C C 11 178.900 178.868 0.032 1
1 125 . 9 1 1 A 12 12 ARG CA C 11 59.300 59.821 -0.521 1
1 126 . 9 1 1 A 12 12 ARG CB C 11 30.000 30.179 -0.179 1
1 129 . 9 1 1 A 12 12 ARG N N 11 118.400 118.333 0.067 1
1 130 . 9 1 1 A 13 13 GLN H H 12 8.060 8.171 -0.111 1
1 131 . 9 1 1 A 13 13 GLN HA H 12 4.150 4.054 0.096 1
1 136 . 9 1 1 A 13 13 GLN C C 12 177.900 178.436 -0.536 1
1 137 . 9 1 1 A 13 13 GLN CA C 12 58.600 59.164 -0.564 1
1 138 . 9 1 1 A 13 13 GLN CB C 12 28.500 28.447 0.053 1
1 140 . 9 1 1 A 13 13 GLN N N 12 120.400 118.873 1.527 1
1 141 . 9 1 1 A 14 14 ARG H H 13 8.180 8.332 -0.152 1
1 142 . 9 1 1 A 14 14 ARG HA H 13 4.160 4.084 0.076 1
1 149 . 9 1 1 A 14 14 ARG C C 13 178.600 179.072 -0.472 1
1 150 . 9 1 1 A 14 14 ARG CA C 13 58.600 59.001 -0.401 1
1 151 . 9 1 1 A 14 14 ARG CB C 13 29.900 30.027 -0.127 1
1 154 . 9 1 1 A 14 14 ARG N N 13 119.900 119.479 0.421 1
1 155 . 9 1 1 A 15 15 LEU H H 14 7.980 8.376 -0.396 1
1 156 . 9 1 1 A 15 15 LEU HA H 14 4.180 4.167 0.013 1
1 165 . 9 1 1 A 15 15 LEU C C 14 178.800 178.762 0.038 1
1 166 . 9 1 1 A 15 15 LEU CA C 14 57.300 57.385 -0.085 1
1 167 . 9 1 1 A 15 15 LEU CB C 14 41.700 41.015 0.685 1
1 171 . 9 1 1 A 15 15 LEU N N 14 119.900 121.398 -1.498 1
1 172 . 9 1 1 A 16 16 ALA H H 15 7.930 8.007 -0.077 1
1 173 . 9 1 1 A 16 16 ALA HA H 15 4.190 4.076 0.114 1
1 177 . 9 1 1 A 16 16 ALA C C 15 180.100 179.284 0.816 1
1 178 . 9 1 1 A 16 16 ALA CA C 15 54.500 54.944 -0.444 1
1 179 . 9 1 1 A 16 16 ALA CB C 15 18.000 18.045 -0.045 1
1 180 . 9 1 1 A 16 16 ALA N N 15 122.000 121.030 0.970 1
1 181 . 9 1 1 A 17 17 GLU H H 16 8.010 7.448 0.562 1
1 182 . 9 1 1 A 17 17 GLU HA H 16 4.160 4.237 -0.077 1
1 187 . 9 1 1 A 17 17 GLU C C 16 178.100 178.912 -0.812 1
1 188 . 9 1 1 A 17 17 GLU CA C 16 58.100 59.154 -1.054 1
1 189 . 9 1 1 A 17 17 GLU CB C 16 28.900 30.280 -1.380 1
1 191 . 9 1 1 A 17 17 GLU N N 16 118.500 117.900 0.600 1
1 192 . 9 1 1 A 18 18 LEU H H 17 7.890 8.226 -0.336 1
1 193 . 9 1 1 A 18 18 LEU HA H 17 4.200 4.068 0.132 1
1 203 . 9 1 1 A 18 18 LEU C C 17 178.700 176.620 2.080 1
1 204 . 9 1 1 A 18 18 LEU CA C 17 56.900 57.942 -1.042 1
1 205 . 9 1 1 A 18 18 LEU CB C 17 42.100 41.725 0.375 1
1 209 . 9 1 1 A 18 18 LEU N N 17 120.400 120.994 -0.594 1
1 210 . 9 1 1 A 19 19 GLN H H 18 8.020 8.254 -0.234 1
1 211 . 9 1 1 A 19 19 GLN HA H 18 4.200 3.891 0.309 1
1 216 . 9 1 1 A 19 19 GLN C C 18 176.700 174.365 2.335 1
1 217 . 9 1 1 A 19 19 GLN CA C 18 56.900 57.256 -0.356 1
1 218 . 9 1 1 A 19 19 GLN CB C 18 28.800 26.831 1.969 1
1 220 . 9 1 1 A 19 19 GLN N N 18 118.500 117.795 0.705 1
1 221 . 9 1 1 A 20 20 ALA H H 19 7.850 7.365 0.485 1
1 222 . 9 1 1 A 20 20 ALA HA H 19 4.240 4.927 -0.687 1
1 226 . 9 1 1 A 20 20 ALA C C 19 178.000 175.702 2.298 1
1 227 . 9 1 1 A 20 20 ALA CA C 19 53.100 51.276 1.824 1
1 228 . 9 1 1 A 20 20 ALA CB C 19 18.700 23.287 -4.587 1
1 229 . 9 1 1 A 20 20 ALA N N 19 122.700 118.784 3.916 1
1 230 . 9 1 1 A 21 21 LYS H H 20 7.950 8.718 -0.768 1
1 231 . 9 1 1 A 21 21 LYS HA H 20 4.260 4.774 -0.514 1
1 238 . 9 1 1 A 21 21 LYS C C 20 176.600 176.204 0.396 1
1 239 . 9 1 1 A 21 21 LYS CA C 20 56.500 55.078 1.422 1
1 240 . 9 1 1 A 21 21 LYS CB C 20 32.600 32.396 0.204 1
1 244 . 9 1 1 A 21 21 LYS N N 20 118.800 117.479 1.321 1
1 245 . 9 1 1 A 22 22 HIS H H 21 8.320 8.598 -0.278 1
1 246 . 9 1 1 A 22 22 HIS HA H 21 4.730 4.526 0.204 1
1 249 . 9 1 1 A 22 22 HIS C C 21 174.800 177.224 -2.424 1
1 250 . 9 1 1 A 22 22 HIS CA C 21 55.400 57.420 -2.020 1
1 251 . 9 1 1 A 22 22 HIS CB C 21 28.800 30.836 -2.036 1
1 252 . 9 1 1 A 22 22 HIS N N 21 118.600 121.127 -2.527 1
1 253 . 9 1 1 A 23 23 GLY H H 22 8.360 8.420 -0.060 1
1 254 . 9 1 1 A 23 23 GLY HA2 H 22 3.960 3.859 0.101 1
1 255 . 9 1 1 A 23 23 GLY HA3 H 22 3.960 3.880 0.080 1
1 256 . 9 1 1 A 23 23 GLY C C 22 173.200 174.459 -1.259 1
1 257 . 9 1 1 A 23 23 GLY CA C 22 45.000 47.090 -2.090 1
1 258 . 9 1 1 A 23 23 GLY N N 22 109.600 106.663 2.937 1
1 259 . 9 1 1 A 24 24 ASP H H 23 8.320 7.847 0.473 1
1 260 . 9 1 1 A 24 24 ASP HA H 23 4.940 4.839 0.101 1
1 263 . 9 1 1 A 24 24 ASP C C 23 174.900 175.950 -1.050 1
1 264 . 9 1 1 A 24 24 ASP CA C 23 52.200 51.944 0.256 1
1 265 . 9 1 1 A 24 24 ASP CB C 23 41.300 42.024 -0.724 1
1 266 . 9 1 1 A 24 24 ASP N N 23 121.600 119.900 1.700 1
1 267 . 9 1 1 A 25 25 PRO HA H 24 4.430 4.248 0.182 1
1 274 . 9 1 1 A 25 25 PRO C C 24 177.800 178.220 -0.420 1
1 275 . 9 1 1 A 25 25 PRO CA C 24 64.100 65.385 -1.285 1
1 276 . 9 1 1 A 25 25 PRO CB C 24 31.900 31.671 0.229 1
1 279 . 9 1 1 A 26 26 GLY H H 25 8.520 8.244 0.276 1
1 280 . 9 1 1 A 26 26 GLY HA2 H 25 3.940 3.841 0.099 1
1 281 . 9 1 1 A 26 26 GLY HA3 H 25 3.940 3.853 0.087 1
1 282 . 9 1 1 A 26 26 GLY C C 25 174.400 174.438 -0.038 1
1 283 . 9 1 1 A 26 26 GLY CA C 25 45.500 46.738 -1.238 1
1 284 . 9 1 1 A 26 26 GLY N N 25 108.300 107.992 0.308 1
1 285 . 9 1 1 A 27 27 ASP H H 26 8.100 8.877 -0.777 1
1 286 . 9 1 1 A 27 27 ASP HA H 26 4.610 4.891 -0.281 1
1 289 . 9 1 1 A 27 27 ASP C C 26 176.900 177.978 -1.078 1
1 290 . 9 1 1 A 27 27 ASP CA C 26 54.800 54.132 0.668 1
1 291 . 9 1 1 A 27 27 ASP CB C 26 40.800 41.171 -0.371 1
1 292 . 9 1 1 A 27 27 ASP N N 26 120.700 125.039 -4.339 1
1 293 . 9 1 1 A 28 28 ALA H H 27 8.320 7.545 0.775 1
1 294 . 9 1 1 A 28 28 ALA HA H 27 4.180 4.042 0.138 1
1 298 . 9 1 1 A 28 28 ALA C C 27 179.300 179.726 -0.426 1
1 299 . 9 1 1 A 28 28 ALA CA C 27 54.600 54.843 -0.243 1
1 300 . 9 1 1 A 28 28 ALA CB C 27 18.400 18.057 0.343 1
1 301 . 9 1 1 A 28 28 ALA N N 27 124.100 124.050 0.050 1
1 302 . 9 1 1 A 29 29 ALA H H 28 8.250 8.081 0.169 1
1 303 . 9 1 1 A 29 29 ALA HA H 28 4.230 3.993 0.237 1
1 307 . 9 1 1 A 29 29 ALA C C 28 180.000 179.548 0.452 1
1 308 . 9 1 1 A 29 29 ALA CA C 28 54.300 55.444 -1.144 1
1 309 . 9 1 1 A 29 29 ALA CB C 28 18.200 18.176 0.024 1
1 310 . 9 1 1 A 29 29 ALA N N 28 121.200 120.339 0.861 1
1 311 . 9 1 1 A 30 30 GLN H H 29 8.120 8.082 0.038 1
1 312 . 9 1 1 A 30 30 GLN HA H 29 4.230 4.077 0.153 1
1 317 . 9 1 1 A 30 30 GLN C C 29 177.900 178.509 -0.609 1
1 318 . 9 1 1 A 30 30 GLN CA C 29 57.800 58.487 -0.687 1
1 319 . 9 1 1 A 30 30 GLN CB C 29 28.600 27.720 0.880 1
1 321 . 9 1 1 A 30 30 GLN N N 29 118.800 116.205 2.595 1
1 322 . 9 1 1 A 31 31 GLN H H 30 8.240 8.082 0.158 1
1 323 . 9 1 1 A 31 31 GLN HA H 30 4.120 4.022 0.098 1
1 328 . 9 1 1 A 31 31 GLN C C 30 178.100 177.814 0.286 1
1 329 . 9 1 1 A 31 31 GLN CA C 30 58.000 59.101 -1.101 1
1 330 . 9 1 1 A 31 31 GLN CB C 30 28.500 28.380 0.120 1
1 332 . 9 1 1 A 31 31 GLN N N 30 119.600 119.849 -0.249 1
1 333 . 9 1 1 A 32 32 GLU H H 31 8.300 8.056 0.244 1
1 334 . 9 1 1 A 32 32 GLU HA H 31 4.190 4.114 0.076 1
1 339 . 9 1 1 A 32 32 GLU C C 31 178.100 178.168 -0.068 1
1 340 . 9 1 1 A 32 32 GLU CA C 31 58.600 59.274 -0.674 1
1 341 . 9 1 1 A 32 32 GLU CB C 31 28.800 29.612 -0.812 1
1 343 . 9 1 1 A 32 32 GLU N N 31 120.800 119.482 1.318 1
1 344 . 9 1 1 A 33 33 ALA H H 32 8.070 8.408 -0.338 1
1 345 . 9 1 1 A 33 33 ALA HA H 32 4.160 4.103 0.057 1
1 349 . 9 1 1 A 33 33 ALA C C 32 179.900 179.393 0.507 1
1 350 . 9 1 1 A 33 33 ALA CA C 32 54.900 55.034 -0.134 1
1 351 . 9 1 1 A 33 33 ALA CB C 32 18.200 18.333 -0.133 1
1 352 . 9 1 1 A 33 33 ALA N N 32 123.000 122.405 0.595 1
1 353 . 9 1 1 A 34 34 LYS H H 33 8.050 8.364 -0.314 1
1 354 . 9 1 1 A 34 34 LYS HA H 33 4.150 4.111 0.039 1
1 363 . 9 1 1 A 34 34 LYS C C 33 178.900 178.735 0.165 1
1 364 . 9 1 1 A 34 34 LYS CA C 33 58.600 59.376 -0.776 1
1 365 . 9 1 1 A 34 34 LYS CB C 33 32.300 32.182 0.118 1
1 369 . 9 1 1 A 34 34 LYS N N 33 118.600 118.835 -0.235 1
1 370 . 9 1 1 A 35 35 HIS H H 34 8.240 8.010 0.230 1
1 371 . 9 1 1 A 35 35 HIS HA H 34 4.580 4.195 0.385 1
1 374 . 9 1 1 A 35 35 HIS C C 34 176.300 177.433 -1.133 1
1 375 . 9 1 1 A 35 35 HIS CA C 34 57.800 60.183 -2.383 1
1 376 . 9 1 1 A 35 35 HIS CB C 34 28.300 29.751 -1.451 1
1 377 . 9 1 1 A 35 35 HIS N N 34 119.100 119.670 -0.570 1
1 378 . 9 1 1 A 36 36 ARG H H 35 8.390 8.478 -0.088 1
1 379 . 9 1 1 A 36 36 ARG HA H 35 4.160 3.961 0.199 1
1 386 . 9 1 1 A 36 36 ARG C C 35 178.500 178.994 -0.494 1
1 387 . 9 1 1 A 36 36 ARG CA C 35 58.800 59.182 -0.382 1
1 388 . 9 1 1 A 36 36 ARG CB C 35 29.200 29.784 -0.584 1
1 391 . 9 1 1 A 36 36 ARG N N 35 120.600 119.131 1.469 1
1 392 . 9 1 1 A 37 37 GLU H H 36 8.240 8.217 0.023 1
1 393 . 9 1 1 A 37 37 GLU HA H 36 4.080 4.047 0.033 1
1 398 . 9 1 1 A 37 37 GLU C C 36 178.200 178.723 -0.523 1
1 399 . 9 1 1 A 37 37 GLU CA C 36 59.100 59.005 0.095 1
1 400 . 9 1 1 A 37 37 GLU CB C 36 29.100 29.732 -0.632 1
1 402 . 9 1 1 A 37 37 GLU N N 36 120.400 120.073 0.327 1
1 403 . 9 1 1 A 38 38 ALA H H 37 7.980 8.048 -0.068 1
1 404 . 9 1 1 A 38 38 ALA HA H 37 4.100 4.027 0.073 1
1 408 . 9 1 1 A 38 38 ALA C C 37 179.800 179.691 0.109 1
1 409 . 9 1 1 A 38 38 ALA CA C 37 55.100 55.315 -0.215 1
1 410 . 9 1 1 A 38 38 ALA CB C 37 18.000 18.016 -0.016 1
1 411 . 9 1 1 A 38 38 ALA N N 37 122.000 122.354 -0.354 1
1 412 . 9 1 1 A 39 39 GLU H H 38 8.050 8.389 -0.339 1
1 413 . 9 1 1 A 39 39 GLU HA H 38 4.120 4.011 0.109 1
1 418 . 9 1 1 A 39 39 GLU C C 38 179.000 178.721 0.279 1
1 419 . 9 1 1 A 39 39 GLU CA C 38 58.800 59.239 -0.439 1
1 420 . 9 1 1 A 39 39 GLU CB C 38 29.100 29.267 -0.167 1
1 422 . 9 1 1 A 39 39 GLU N N 38 118.200 116.667 1.533 1
1 423 . 9 1 1 A 40 40 MET H H 39 8.130 7.980 0.150 1
1 424 . 9 1 1 A 40 40 MET HA H 39 4.200 4.070 0.130 1
1 429 . 9 1 1 A 40 40 MET C C 39 178.200 178.006 0.194 1
1 430 . 9 1 1 A 40 40 MET CA C 39 58.100 58.434 -0.334 1
1 431 . 9 1 1 A 40 40 MET CB C 39 32.300 32.052 0.248 1
1 433 . 9 1 1 A 40 40 MET N N 39 120.300 120.096 0.204 1
1 434 . 9 1 1 A 41 41 ARG HA H 40 3.890 3.964 -0.074 1
1 441 . 9 1 1 A 41 41 ARG C C 40 177.700 178.494 -0.794 1
1 442 . 9 1 1 A 41 41 ARG CA C 40 59.500 59.635 -0.135 1
1 443 . 9 1 1 A 41 41 ARG CB C 40 30.300 29.972 0.328 1
1 444 . 9 1 1 A 42 42 ASN H H 41 8.190 8.622 -0.432 1
1 445 . 9 1 1 A 42 42 ASN HA H 41 4.440 4.423 0.017 1
1 450 . 9 1 1 A 42 42 ASN C C 41 177.700 177.685 0.015 1
1 451 . 9 1 1 A 42 42 ASN CA C 41 55.900 56.688 -0.788 1
1 452 . 9 1 1 A 42 42 ASN CB C 41 38.100 39.231 -1.131 1
1 453 . 9 1 1 A 42 42 ASN N N 41 116.300 118.527 -2.227 1
1 455 . 9 1 1 A 43 43 SER H H 42 8.130 8.275 -0.145 1
1 456 . 9 1 1 A 43 43 SER HA H 42 4.300 4.112 0.188 1
1 459 . 9 1 1 A 43 43 SER C C 42 176.600 176.728 -0.128 1
1 460 . 9 1 1 A 43 43 SER CA C 42 61.200 62.336 -1.136 1
1 461 . 9 1 1 A 43 43 SER CB C 42 63.100 63.076 0.024 1
1 462 . 9 1 1 A 43 43 SER N N 42 116.300 116.244 0.056 1
1 463 . 9 1 1 A 44 44 ILE H H 43 7.940 7.602 0.338 1
1 464 . 9 1 1 A 44 44 ILE HA H 43 3.860 3.818 0.042 1
1 474 . 9 1 1 A 44 44 ILE C C 43 178.400 178.409 -0.009 1
1 475 . 9 1 1 A 44 44 ILE CA C 43 64.500 64.520 -0.020 1
1 476 . 9 1 1 A 44 44 ILE CB C 43 37.900 37.725 0.175 1
1 480 . 9 1 1 A 44 44 ILE N N 43 122.500 118.720 3.780 1
1 481 . 9 1 1 A 45 45 LEU H H 44 8.070 8.236 -0.166 1
1 482 . 9 1 1 A 45 45 LEU HA H 44 3.940 4.188 -0.248 1
1 492 . 9 1 1 A 45 45 LEU C C 44 178.200 179.102 -0.902 1
1 493 . 9 1 1 A 45 45 LEU CA C 44 58.100 57.114 0.986 1
1 494 . 9 1 1 A 45 45 LEU CB C 44 41.100 40.762 0.338 1
1 498 . 9 1 1 A 45 45 LEU N N 44 119.100 122.613 -3.513 1
1 499 . 9 1 1 A 46 46 ALA H H 45 7.760 8.123 -0.363 1
1 500 . 9 1 1 A 46 46 ALA HA H 45 4.100 4.166 -0.066 1
1 504 . 9 1 1 A 46 46 ALA C C 45 178.700 179.079 -0.379 1
1 505 . 9 1 1 A 46 46 ALA CA C 45 54.100 54.722 -0.622 1
1 506 . 9 1 1 A 46 46 ALA CB C 45 18.100 18.370 -0.270 1
1 507 . 9 1 1 A 46 46 ALA N N 45 117.600 121.546 -3.946 1
1 508 . 9 1 1 A 47 47 GLN H H 46 7.570 7.320 0.250 1
1 509 . 9 1 1 A 47 47 GLN HA H 46 4.270 4.244 0.026 1
1 514 . 9 1 1 A 47 47 GLN C C 46 177.800 178.556 -0.756 1
1 515 . 9 1 1 A 47 47 GLN CA C 46 57.300 57.917 -0.617 1
1 516 . 9 1 1 A 47 47 GLN CB C 46 29.500 29.379 0.121 1
1 518 . 9 1 1 A 47 47 GLN N N 46 114.300 116.859 -2.559 1
1 519 . 9 1 1 A 48 48 VAL H H 47 7.690 8.108 -0.418 1
1 520 . 9 1 1 A 48 48 VAL HA H 47 4.380 3.911 0.469 1
1 528 . 9 1 1 A 48 48 VAL C C 47 174.400 176.358 -1.958 1
1 529 . 9 1 1 A 48 48 VAL CA C 47 62.600 65.589 -2.989 1
1 530 . 9 1 1 A 48 48 VAL CB C 47 32.800 32.389 0.411 1
1 533 . 9 1 1 A 48 48 VAL N N 47 111.900 117.702 -5.802 1
1 534 . 9 1 1 A 49 49 LEU H H 48 7.480 7.294 0.186 1
1 535 . 9 1 1 A 49 49 LEU HA H 48 4.910 4.442 0.468 1
1 545 . 9 1 1 A 49 49 LEU C C 48 177.000 175.828 1.172 1
1 546 . 9 1 1 A 49 49 LEU CA C 48 53.700 53.911 -0.211 1
1 547 . 9 1 1 A 49 49 LEU CB C 48 44.500 42.413 2.087 1
1 551 . 9 1 1 A 49 49 LEU N N 48 119.600 119.217 0.383 1
1 552 . 9 1 1 A 50 50 ASP H H 49 8.430 8.760 -0.330 1
1 553 . 9 1 1 A 50 50 ASP HA H 49 4.630 4.509 0.121 1
1 556 . 9 1 1 A 50 50 ASP C C 49 176.000 177.350 -1.350 1
1 557 . 9 1 1 A 50 50 ASP CA C 49 53.000 54.649 -1.649 1
1 558 . 9 1 1 A 50 50 ASP CB C 49 40.200 42.874 -2.674 1
1 559 . 9 1 1 A 50 50 ASP N N 49 121.200 125.367 -4.167 1
1 560 . 9 1 1 A 51 51 GLN H H 50 8.580 8.967 -0.387 1
1 561 . 9 1 1 A 51 51 GLN HA H 50 3.950 3.985 -0.035 1
1 566 . 9 1 1 A 51 51 GLN C C 50 178.800 177.564 1.236 1
1 567 . 9 1 1 A 51 51 GLN CA C 50 60.200 58.735 1.465 1
1 568 . 9 1 1 A 51 51 GLN CB C 50 28.300 28.084 0.216 1
1 570 . 9 1 1 A 51 51 GLN N N 50 118.200 126.023 -7.823 1
1 571 . 9 1 1 A 52 52 SER H H 51 8.430 8.285 0.145 1
1 572 . 9 1 1 A 52 52 SER HA H 51 4.320 4.285 0.035 1
1 575 . 9 1 1 A 52 52 SER C C 51 177.200 176.646 0.554 1
1 576 . 9 1 1 A 52 52 SER CA C 51 61.500 61.270 0.230 1
1 577 . 9 1 1 A 52 52 SER CB C 51 62.400 63.243 -0.843 1
1 578 . 9 1 1 A 52 52 SER N N 51 117.000 116.893 0.107 1
1 579 . 9 1 1 A 53 53 ALA H H 52 8.760 8.133 0.627 1
1 580 . 9 1 1 A 53 53 ALA HA H 52 3.960 4.014 -0.054 1
1 584 . 9 1 1 A 53 53 ALA C C 52 178.900 179.257 -0.357 1
1 585 . 9 1 1 A 53 53 ALA CA C 52 55.400 54.898 0.502 1
1 586 . 9 1 1 A 53 53 ALA CB C 52 19.200 18.218 0.982 1
1 587 . 9 1 1 A 53 53 ALA N N 52 127.400 123.230 4.170 1
1 588 . 9 1 1 A 54 54 ARG H H 53 8.640 7.783 0.857 1
1 589 . 9 1 1 A 54 54 ARG HA H 53 3.880 4.031 -0.151 1
1 596 . 9 1 1 A 54 54 ARG C C 53 179.000 179.035 -0.035 1
1 597 . 9 1 1 A 54 54 ARG CA C 53 59.700 59.252 0.448 1
1 598 . 9 1 1 A 54 54 ARG CB C 53 29.900 29.402 0.498 1
1 601 . 9 1 1 A 54 54 ARG N N 53 118.200 117.711 0.489 1
1 602 . 9 1 1 A 55 55 ALA H H 54 7.960 7.749 0.211 1
1 603 . 9 1 1 A 55 55 ALA HA H 54 4.190 4.019 0.171 1
1 607 . 9 1 1 A 55 55 ALA C C 54 180.100 179.370 0.730 1
1 608 . 9 1 1 A 55 55 ALA CA C 54 55.100 55.230 -0.130 1
1 609 . 9 1 1 A 55 55 ALA CB C 54 17.700 18.270 -0.570 1
1 610 . 9 1 1 A 55 55 ALA N N 54 122.200 122.527 -0.327 1
1 611 . 9 1 1 A 56 56 ARG H H 55 7.800 7.798 0.002 1
1 612 . 9 1 1 A 56 56 ARG HA H 55 4.160 4.144 0.016 1
1 619 . 9 1 1 A 56 56 ARG C C 55 178.900 178.201 0.699 1
1 620 . 9 1 1 A 56 56 ARG CA C 55 58.300 58.697 -0.397 1
1 621 . 9 1 1 A 56 56 ARG CB C 55 29.100 30.027 -0.927 1
1 624 . 9 1 1 A 56 56 ARG N N 55 119.100 118.900 0.200 1
1 625 . 9 1 1 A 57 57 LEU H H 56 8.390 8.205 0.185 1
1 626 . 9 1 1 A 57 57 LEU HA H 56 4.060 4.069 -0.009 1
1 635 . 9 1 1 A 57 57 LEU C C 56 178.100 178.858 -0.758 1
1 636 . 9 1 1 A 57 57 LEU CA C 56 57.800 57.959 -0.159 1
1 637 . 9 1 1 A 57 57 LEU CB C 56 41.600 41.336 0.264 1
1 641 . 9 1 1 A 57 57 LEU N N 56 120.600 121.535 -0.935 1
1 642 . 9 1 1 A 58 58 SER H H 57 8.150 8.068 0.082 1
1 643 . 9 1 1 A 58 58 SER HA H 57 4.210 4.063 0.147 1
1 646 . 9 1 1 A 58 58 SER C C 57 176.500 176.016 0.484 1
1 647 . 9 1 1 A 58 58 SER CA C 57 61.800 62.062 -0.262 1
1 648 . 9 1 1 A 58 58 SER CB C 57 62.600 62.750 -0.150 1
1 649 . 9 1 1 A 58 58 SER N N 57 114.100 117.010 -2.910 1
1 650 . 9 1 1 A 59 59 ASN H H 58 7.700 8.222 -0.522 1
1 651 . 9 1 1 A 59 59 ASN HA H 58 4.580 4.465 0.115 1
1 656 . 9 1 1 A 59 59 ASN C C 58 178.000 177.477 0.523 1
1 657 . 9 1 1 A 59 59 ASN CA C 58 56.200 56.559 -0.359 1
1 658 . 9 1 1 A 59 59 ASN CB C 58 38.700 39.651 -0.951 1
1 659 . 9 1 1 A 59 59 ASN N N 58 119.500 120.482 -0.982 1
1 661 . 9 1 1 A 60 60 LEU H H 59 8.250 8.086 0.164 1
1 662 . 9 1 1 A 60 60 LEU HA H 59 4.070 4.060 0.010 1
1 671 . 9 1 1 A 60 60 LEU C C 59 178.400 178.492 -0.092 1
1 672 . 9 1 1 A 60 60 LEU CA C 59 57.500 57.506 -0.006 1
1 673 . 9 1 1 A 60 60 LEU CB C 59 42.100 41.377 0.723 1
1 677 . 9 1 1 A 60 60 LEU N N 59 123.000 120.828 2.172 1
1 678 . 9 1 1 A 61 61 ALA H H 60 8.070 7.847 0.223 1
1 679 . 9 1 1 A 61 61 ALA HA H 60 3.910 4.302 -0.392 1
1 683 . 9 1 1 A 61 61 ALA C C 60 178.400 179.593 -1.193 1
1 684 . 9 1 1 A 61 61 ALA CA C 60 54.600 54.351 0.249 1
1 685 . 9 1 1 A 61 61 ALA CB C 60 18.200 18.337 -0.137 1
1 686 . 9 1 1 A 61 61 ALA N N 60 120.700 120.756 -0.056 1
1 687 . 9 1 1 A 62 62 LEU H H 61 7.170 8.032 -0.862 1
1 688 . 9 1 1 A 62 62 LEU HA H 61 4.200 4.076 0.124 1
1 695 . 9 1 1 A 62 62 LEU C C 61 178.300 179.000 -0.700 1
1 696 . 9 1 1 A 62 62 LEU CA C 61 56.500 57.445 -0.945 1
1 697 . 9 1 1 A 62 62 LEU CB C 61 42.100 41.591 0.509 1
1 701 . 9 1 1 A 62 62 LEU N N 61 113.700 119.247 -5.547 1
1 702 . 9 1 1 A 63 63 VAL H H 62 7.330 7.201 0.129 1
1 703 . 9 1 1 A 63 63 VAL HA H 62 4.380 4.118 0.262 1
1 711 . 9 1 1 A 63 63 VAL C C 62 176.200 175.751 0.449 1
1 712 . 9 1 1 A 63 63 VAL CA C 62 62.800 64.180 -1.380 1
1 713 . 9 1 1 A 63 63 VAL CB C 62 33.900 32.046 1.854 1
1 716 . 9 1 1 A 63 63 VAL N N 62 112.500 114.172 -1.672 1
1 717 . 9 1 1 A 64 64 LYS H H 63 8.710 7.880 0.830 1
1 718 . 9 1 1 A 64 64 LYS HA H 63 5.000 4.704 0.296 1
1 727 . 9 1 1 A 64 64 LYS C C 63 174.200 175.070 -0.870 1
1 728 . 9 1 1 A 64 64 LYS CA C 63 53.600 53.509 0.091 1
1 729 . 9 1 1 A 64 64 LYS CB C 63 33.400 33.534 -0.134 1
1 733 . 9 1 1 A 64 64 LYS N N 63 120.400 120.790 -0.390 1
1 734 . 9 1 1 A 65 65 PRO HA H 64 4.360 4.695 -0.335 1
1 741 . 9 1 1 A 65 65 PRO C C 64 179.400 178.656 0.744 1
1 742 . 9 1 1 A 65 65 PRO CA C 64 66.000 64.631 1.369 1
1 743 . 9 1 1 A 65 65 PRO CB C 64 31.400 32.026 -0.626 1
1 746 . 9 1 1 A 66 66 GLU H H 65 8.920 8.374 0.546 1
1 747 . 9 1 1 A 66 66 GLU HA H 65 4.200 4.056 0.144 1
1 752 . 9 1 1 A 66 66 GLU C C 65 179.600 179.450 0.150 1
1 753 . 9 1 1 A 66 66 GLU CA C 65 59.400 59.987 -0.587 1
1 754 . 9 1 1 A 66 66 GLU CB C 65 28.300 29.155 -0.855 1
1 756 . 9 1 1 A 66 66 GLU N N 65 118.700 118.123 0.577 1
1 757 . 9 1 1 A 67 67 LYS H H 66 8.000 7.710 0.290 1
1 758 . 9 1 1 A 67 67 LYS HA H 66 4.160 4.145 0.015 1
1 767 . 9 1 1 A 67 67 LYS C C 66 178.400 179.154 -0.754 1
1 768 . 9 1 1 A 67 67 LYS CA C 66 58.500 58.729 -0.229 1
1 769 . 9 1 1 A 67 67 LYS CB C 66 32.300 31.928 0.372 1
1 773 . 9 1 1 A 67 67 LYS N N 66 121.300 118.924 2.376 1
1 774 . 9 1 1 A 68 68 THR H H 67 7.960 7.576 0.384 1
1 775 . 9 1 1 A 68 68 THR HA H 67 4.130 3.822 0.308 1
1 780 . 9 1 1 A 68 68 THR C C 67 176.200 176.732 -0.532 1
1 781 . 9 1 1 A 68 68 THR CA C 67 67.800 67.329 0.471 1
1 782 . 9 1 1 A 68 68 THR CB C 67 67.800 68.584 -0.784 1
1 784 . 9 1 1 A 68 68 THR N N 67 114.200 117.022 -2.822 1
1 785 . 9 1 1 A 69 69 LYS H H 68 7.770 8.364 -0.594 1
1 786 . 9 1 1 A 69 69 LYS HA H 68 3.990 4.037 -0.047 1
1 795 . 9 1 1 A 69 69 LYS C C 68 178.100 178.744 -0.644 1
1 796 . 9 1 1 A 69 69 LYS CA C 68 59.400 59.029 0.371 1
1 797 . 9 1 1 A 69 69 LYS CB C 68 31.700 31.899 -0.199 1
1 801 . 9 1 1 A 69 69 LYS N N 68 122.000 119.944 2.056 1
1 802 . 9 1 1 A 70 70 ALA H H 69 7.480 7.752 -0.272 1
1 803 . 9 1 1 A 70 70 ALA HA H 69 4.240 4.048 0.192 1
1 807 . 9 1 1 A 70 70 ALA C C 69 181.200 179.753 1.447 1
1 808 . 9 1 1 A 70 70 ALA CA C 69 55.200 55.104 0.096 1
1 809 . 9 1 1 A 70 70 ALA CB C 69 17.900 18.512 -0.612 1
1 810 . 9 1 1 A 70 70 ALA N N 69 120.300 122.130 -1.830 1
1 811 . 9 1 1 A 71 71 VAL H H 70 8.160 8.233 -0.073 1
1 812 . 9 1 1 A 71 71 VAL HA H 70 3.620 3.796 -0.176 1
1 820 . 9 1 1 A 71 71 VAL C C 70 177.400 178.089 -0.689 1
1 821 . 9 1 1 A 71 71 VAL CA C 70 66.600 65.204 1.396 1
1 822 . 9 1 1 A 71 71 VAL CB C 70 31.500 31.531 -0.031 1
1 825 . 9 1 1 A 71 71 VAL N N 70 120.300 116.466 3.834 1
1 826 . 9 1 1 A 72 72 GLU H H 71 8.690 8.558 0.132 1
1 827 . 9 1 1 A 72 72 GLU HA H 71 3.800 3.976 -0.176 1
1 832 . 9 1 1 A 72 72 GLU C C 71 178.000 178.976 -0.976 1
1 833 . 9 1 1 A 72 72 GLU CA C 71 60.400 59.837 0.563 1
1 834 . 9 1 1 A 72 72 GLU CB C 71 29.200 29.282 -0.082 1
1 836 . 9 1 1 A 72 72 GLU N N 71 119.300 122.096 -2.796 1
1 837 . 9 1 1 A 73 73 ASN H H 72 8.460 8.303 0.157 1
1 838 . 9 1 1 A 73 73 ASN HA H 72 4.440 4.415 0.025 1
1 843 . 9 1 1 A 73 73 ASN C C 72 177.600 176.924 0.676 1
1 844 . 9 1 1 A 73 73 ASN CA C 72 56.200 56.252 -0.052 1
1 845 . 9 1 1 A 73 73 ASN CB C 72 37.600 39.238 -1.638 1
1 846 . 9 1 1 A 73 73 ASN N N 72 115.900 118.522 -2.622 1
1 848 . 9 1 1 A 74 74 TYR H H 73 7.940 8.179 -0.239 1
1 849 . 9 1 1 A 74 74 TYR HA H 73 4.200 4.224 -0.024 1
1 856 . 9 1 1 A 74 74 TYR C C 73 177.600 177.070 0.530 1
1 857 . 9 1 1 A 74 74 TYR CA C 73 61.500 61.378 0.122 1
1 858 . 9 1 1 A 74 74 TYR CB C 73 38.400 38.487 -0.087 1
1 863 . 9 1 1 A 74 74 TYR N N 73 122.400 119.994 2.406 1
1 864 . 9 1 1 A 75 75 LEU H H 74 8.410 8.878 -0.468 1
1 865 . 9 1 1 A 75 75 LEU HA H 74 3.930 3.831 0.099 1
1 875 . 9 1 1 A 75 75 LEU C C 74 178.500 179.015 -0.515 1
1 876 . 9 1 1 A 75 75 LEU CA C 74 58.100 58.013 0.087 1
1 877 . 9 1 1 A 75 75 LEU CB C 74 42.600 41.635 0.965 1
1 881 . 9 1 1 A 75 75 LEU N N 74 119.500 119.727 -0.227 1
1 882 . 9 1 1 A 76 76 ILE H H 75 8.400 8.201 0.199 1
1 883 . 9 1 1 A 76 76 ILE HA H 75 3.570 3.453 0.117 1
1 890 . 9 1 1 A 76 76 ILE C C 75 178.100 178.524 -0.424 1
1 891 . 9 1 1 A 76 76 ILE CA C 75 65.200 65.245 -0.045 1
1 892 . 9 1 1 A 76 76 ILE CB C 75 37.800 37.835 -0.035 1
1 896 . 9 1 1 A 76 76 ILE N N 75 118.600 119.875 -1.275 1
1 897 . 9 1 1 A 77 77 GLN H H 76 7.830 7.589 0.241 1
1 898 . 9 1 1 A 77 77 GLN HA H 76 3.920 3.657 0.263 1
1 903 . 9 1 1 A 77 77 GLN C C 76 178.100 177.852 0.248 1
1 904 . 9 1 1 A 77 77 GLN CA C 76 59.100 58.269 0.831 1
1 905 . 9 1 1 A 77 77 GLN CB C 76 28.000 28.418 -0.418 1
1 907 . 9 1 1 A 77 77 GLN N N 76 119.300 119.060 0.240 1
1 908 . 9 1 1 A 78 78 MET H H 77 8.060 8.323 -0.263 1
1 909 . 9 1 1 A 78 78 MET HA H 77 4.040 3.998 0.042 1
1 912 . 9 1 1 A 78 78 MET C C 77 178.700 177.997 0.703 1
1 913 . 9 1 1 A 78 78 MET CA C 77 58.600 58.310 0.290 1
1 914 . 9 1 1 A 78 78 MET CB C 77 33.000 32.083 0.917 1
1 916 . 9 1 1 A 78 78 MET N N 77 117.600 118.752 -1.152 1
1 917 . 9 1 1 A 79 79 ALA H H 78 8.210 8.160 0.050 1
1 918 . 9 1 1 A 79 79 ALA HA H 78 4.190 4.012 0.178 1
1 922 . 9 1 1 A 79 79 ALA C C 78 180.600 179.628 0.972 1
1 923 . 9 1 1 A 79 79 ALA CA C 78 54.100 55.045 -0.945 1
1 924 . 9 1 1 A 79 79 ALA CB C 78 18.400 17.936 0.464 1
1 925 . 9 1 1 A 79 79 ALA N N 78 121.400 121.069 0.331 1
1 926 . 9 1 1 A 80 80 ARG H H 79 8.120 7.748 0.372 1
1 927 . 9 1 1 A 80 80 ARG HA H 79 3.960 4.043 -0.083 1
1 934 . 9 1 1 A 80 80 ARG C C 79 177.900 177.429 0.471 1
1 935 . 9 1 1 A 80 80 ARG CA C 79 58.800 58.504 0.296 1
1 936 . 9 1 1 A 80 80 ARG CB C 79 29.900 29.345 0.555 1
1 939 . 9 1 1 A 80 80 ARG N N 79 119.100 119.960 -0.860 1
1 940 . 9 1 1 A 81 81 TYR H H 80 7.800 7.061 0.739 1
1 941 . 9 1 1 A 81 81 TYR HA H 80 4.710 4.559 0.151 1
1 948 . 9 1 1 A 81 81 TYR C C 80 176.500 175.729 0.771 1
1 949 . 9 1 1 A 81 81 TYR CA C 80 57.500 58.108 -0.608 1
1 950 . 9 1 1 A 81 81 TYR CB C 80 38.100 38.704 -0.604 1
1 955 . 9 1 1 A 81 81 TYR N N 80 115.900 116.081 -0.181 1
1 956 . 9 1 1 A 82 82 GLY H H 81 7.850 7.780 0.070 1
1 957 . 9 1 1 A 82 82 GLY HA2 H 81 4.030 3.943 0.087 1
1 958 . 9 1 1 A 82 82 GLY HA3 H 81 4.030 3.959 0.071 1
1 959 . 9 1 1 A 82 82 GLY C C 81 174.900 175.033 -0.133 1
1 960 . 9 1 1 A 82 82 GLY CA C 81 46.300 46.383 -0.083 1
1 961 . 9 1 1 A 82 82 GLY N N 81 108.500 108.567 -0.067 1
1 962 . 9 1 1 A 83 83 GLN H H 82 8.200 7.794 0.406 1
1 963 . 9 1 1 A 83 83 GLN HA H 82 4.310 4.359 -0.049 1
1 968 . 9 1 1 A 83 83 GLN C C 82 175.500 175.344 0.156 1
1 969 . 9 1 1 A 83 83 GLN CA C 82 55.700 56.060 -0.360 1
1 970 . 9 1 1 A 83 83 GLN CB C 82 29.400 29.597 -0.197 1
1 972 . 9 1 1 A 83 83 GLN N N 82 116.900 117.784 -0.884 1
1 973 . 9 1 1 A 84 84 LEU H H 83 7.990 7.523 0.467 1
1 974 . 9 1 1 A 84 84 LEU HA H 83 4.610 4.854 -0.244 1
1 984 . 9 1 1 A 84 84 LEU C C 83 176.500 176.130 0.370 1
1 985 . 9 1 1 A 84 84 LEU CA C 83 54.300 53.378 0.922 1
1 986 . 9 1 1 A 84 84 LEU CB C 83 42.600 46.732 -4.132 1
1 990 . 9 1 1 A 84 84 LEU N N 83 121.400 120.603 0.797 1
1 991 . 9 1 1 A 85 85 SER H H 84 8.630 8.910 -0.280 1
1 992 . 9 1 1 A 85 85 SER HA H 84 4.410 4.620 -0.210 1
1 995 . 9 1 1 A 85 85 SER C C 84 173.700 173.774 -0.074 1
1 996 . 9 1 1 A 85 85 SER CA C 84 59.400 59.408 -0.008 1
1 997 . 9 1 1 A 85 85 SER CB C 84 63.900 65.993 -2.093 1
1 998 . 9 1 1 A 85 85 SER N N 84 118.400 117.640 0.760 1
1 999 . 9 1 1 A 86 86 GLU H H 85 7.690 8.229 -0.539 1
1 1000 . 9 1 1 A 86 86 GLU HA H 85 4.530 4.558 -0.028 1
1 1005 . 9 1 1 A 86 86 GLU C C 85 175.400 176.573 -1.173 1
1 1006 . 9 1 1 A 86 86 GLU CA C 85 54.900 55.479 -0.579 1
1 1007 . 9 1 1 A 86 86 GLU CB C 85 31.200 30.725 0.475 1
1 1009 . 9 1 1 A 86 86 GLU N N 85 119.400 120.586 -1.186 1
1 1010 . 9 1 1 A 87 87 LYS H H 86 8.380 8.470 -0.090 1
1 1011 . 9 1 1 A 87 87 LYS HA H 86 4.230 4.422 -0.192 1
1 1018 . 9 1 1 A 87 87 LYS C C 86 176.900 176.291 0.609 1
1 1019 . 9 1 1 A 87 87 LYS CA C 86 57.000 56.204 0.796 1
1 1020 . 9 1 1 A 87 87 LYS CB C 86 33.300 32.419 0.881 1
1 1024 . 9 1 1 A 87 87 LYS N N 86 120.400 121.871 -1.471 1
1 1025 . 9 1 1 A 88 88 VAL H H 87 8.960 9.515 -0.555 1
1 1026 . 9 1 1 A 88 88 VAL HA H 87 3.970 4.297 -0.327 1
1 1034 . 9 1 1 A 88 88 VAL C C 87 174.700 175.633 -0.933 1
1 1035 . 9 1 1 A 88 88 VAL CA C 87 63.300 61.767 1.533 1
1 1036 . 9 1 1 A 88 88 VAL CB C 87 32.400 32.018 0.382 1
1 1038 . 9 1 1 A 88 88 VAL N N 87 125.200 125.540 -0.340 1
1 1039 . 9 1 1 A 89 89 SER H H 88 8.190 8.831 -0.641 1
1 1040 . 9 1 1 A 89 89 SER HA H 88 4.990 4.583 0.407 1
1 1043 . 9 1 1 A 89 89 SER C C 88 175.700 175.814 -0.114 1
1 1044 . 9 1 1 A 89 89 SER CA C 88 56.200 57.835 -1.635 1
1 1045 . 9 1 1 A 89 89 SER CB C 88 66.600 64.355 2.245 1
1 1046 . 9 1 1 A 89 89 SER N N 88 121.700 122.834 -1.134 1
1 1047 . 9 1 1 A 90 90 GLU H H 89 9.230 8.863 0.367 1
1 1048 . 9 1 1 A 90 90 GLU HA H 89 3.720 3.976 -0.256 1
1 1053 . 9 1 1 A 90 90 GLU C C 89 177.700 178.999 -1.299 1
1 1054 . 9 1 1 A 90 90 GLU CA C 89 61.200 59.781 1.419 1
1 1055 . 9 1 1 A 90 90 GLU CB C 89 29.100 29.302 -0.202 1
1 1057 . 9 1 1 A 90 90 GLU N N 89 121.600 123.850 -2.250 1
1 1058 . 9 1 1 A 91 91 GLN H H 90 8.430 8.052 0.378 1
1 1059 . 9 1 1 A 91 91 GLN HA H 90 4.040 3.992 0.048 1
1 1066 . 9 1 1 A 91 91 GLN C C 90 178.900 178.386 0.514 1
1 1067 . 9 1 1 A 91 91 GLN CA C 90 59.100 59.593 -0.493 1
1 1068 . 9 1 1 A 91 91 GLN CB C 90 27.800 28.122 -0.322 1
1 1070 . 9 1 1 A 91 91 GLN N N 90 117.100 119.605 -2.505 1
1 1072 . 9 1 1 A 92 92 GLY H H 91 8.080 8.030 0.050 1
1 1073 . 9 1 1 A 92 92 GLY HA2 H 91 3.890 3.581 0.309 1
1 1074 . 9 1 1 A 92 92 GLY HA3 H 91 3.890 3.586 0.304 1
1 1075 . 9 1 1 A 92 92 GLY C C 91 176.600 175.654 0.946 1
1 1076 . 9 1 1 A 92 92 GLY CA C 91 46.900 47.136 -0.236 1
1 1077 . 9 1 1 A 92 92 GLY N N 91 109.400 107.060 2.340 1
1 1078 . 9 1 1 A 93 93 LEU H H 92 8.610 8.163 0.447 1
1 1079 . 9 1 1 A 93 93 LEU HA H 92 4.000 4.126 -0.126 1
1 1089 . 9 1 1 A 93 93 LEU C C 92 178.000 178.354 -0.354 1
1 1090 . 9 1 1 A 93 93 LEU CA C 92 57.500 57.187 0.313 1
1 1091 . 9 1 1 A 93 93 LEU CB C 92 41.800 41.347 0.453 1
1 1095 . 9 1 1 A 93 93 LEU N N 92 123.700 122.225 1.475 1
1 1096 . 9 1 1 A 94 94 ILE H H 93 7.970 8.473 -0.503 1
1 1097 . 9 1 1 A 94 94 ILE HA H 93 3.640 3.529 0.111 1
1 1107 . 9 1 1 A 94 94 ILE C C 93 178.500 178.329 0.171 1
1 1108 . 9 1 1 A 94 94 ILE CA C 93 64.800 64.959 -0.159 1
1 1109 . 9 1 1 A 94 94 ILE CB C 93 37.100 37.565 -0.465 1
1 1113 . 9 1 1 A 94 94 ILE N N 93 119.900 119.853 0.047 1
1 1114 . 9 1 1 A 95 95 GLU H H 94 7.610 7.616 -0.006 1
1 1115 . 9 1 1 A 95 95 GLU HA H 94 4.090 4.056 0.034 1
1 1120 . 9 1 1 A 95 95 GLU C C 94 179.400 179.021 0.379 1
1 1121 . 9 1 1 A 95 95 GLU CA C 94 59.200 58.874 0.326 1
1 1122 . 9 1 1 A 95 95 GLU CB C 94 28.800 29.436 -0.636 1
1 1124 . 9 1 1 A 95 95 GLU N N 94 118.800 121.733 -2.933 1
1 1125 . 9 1 1 A 96 96 ILE H H 95 7.840 7.795 0.045 1
1 1126 . 9 1 1 A 96 96 ILE HA H 95 3.520 3.488 0.032 1
1 1136 . 9 1 1 A 96 96 ILE C C 95 177.500 177.816 -0.316 1
1 1137 . 9 1 1 A 96 96 ILE CA C 95 65.500 65.013 0.487 1
1 1138 . 9 1 1 A 96 96 ILE CB C 95 37.900 37.143 0.757 1
1 1142 . 9 1 1 A 96 96 ILE N N 95 121.600 120.175 1.425 1
1 1143 . 9 1 1 A 97 97 LEU H H 96 8.620 8.488 0.132 1
1 1144 . 9 1 1 A 97 97 LEU HA H 96 3.800 3.965 -0.165 1
1 1151 . 9 1 1 A 97 97 LEU C C 96 179.400 178.556 0.844 1
1 1152 . 9 1 1 A 97 97 LEU CA C 96 58.600 58.464 0.136 1
1 1153 . 9 1 1 A 97 97 LEU CB C 96 41.500 41.646 -0.146 1
1 1156 . 9 1 1 A 97 97 LEU N N 96 120.400 121.505 -1.105 1
1 1157 . 9 1 1 A 98 98 LYS H H 97 7.750 8.072 -0.322 1
1 1158 . 9 1 1 A 98 98 LYS HA H 97 3.990 3.782 0.208 1
1 1167 . 9 1 1 A 98 98 LYS C C 97 178.600 179.726 -1.126 1
1 1168 . 9 1 1 A 98 98 LYS CA C 97 59.400 60.342 -0.942 1
1 1169 . 9 1 1 A 98 98 LYS CB C 97 32.300 32.222 0.078 1
1 1172 . 9 1 1 A 98 98 LYS N N 97 119.000 119.397 -0.397 1
1 1173 . 9 1 1 A 99 99 LYS H H 98 7.710 7.440 0.270 1
1 1174 . 9 1 1 A 99 99 LYS HA H 98 4.110 4.044 0.066 1
1 1183 . 9 1 1 A 99 99 LYS C C 98 179.100 179.321 -0.221 1
1 1184 . 9 1 1 A 99 99 LYS CA C 98 59.100 59.393 -0.293 1
1 1185 . 9 1 1 A 99 99 LYS CB C 98 32.500 32.382 0.118 1
1 1189 . 9 1 1 A 99 99 LYS N N 98 119.500 119.716 -0.216 1
1 1190 . 9 1 1 A 100 100 VAL H H 99 8.210 7.604 0.606 1
1 1191 . 9 1 1 A 100 100 VAL HA H 99 3.920 3.905 0.015 1
1 1196 . 9 1 1 A 100 100 VAL C C 99 177.600 177.969 -0.369 1
1 1197 . 9 1 1 A 100 100 VAL CA C 99 64.200 64.711 -0.511 1
1 1198 . 9 1 1 A 100 100 VAL CB C 99 31.500 31.196 0.304 1
1 1200 . 9 1 1 A 100 100 VAL N N 99 115.800 115.536 0.264 1
1 1201 . 9 1 1 A 101 101 SER H H 100 7.900 8.287 -0.387 1
1 1202 . 9 1 1 A 101 101 SER HA H 100 4.340 4.295 0.045 1
1 1205 . 9 1 1 A 101 101 SER C C 100 174.600 176.247 -1.647 1
1 1206 . 9 1 1 A 101 101 SER CA C 100 60.400 61.306 -0.906 1
1 1207 . 9 1 1 A 101 101 SER CB C 100 63.600 63.170 0.430 1
1 1208 . 9 1 1 A 101 101 SER N N 100 116.500 117.490 -0.990 1
1 1209 . 9 1 1 A 102 102 GLN H H 101 7.860 7.758 0.102 1
1 1210 . 9 1 1 A 102 102 GLN HA H 101 4.280 4.063 0.217 1
1 1215 . 9 1 1 A 102 102 GLN C C 101 176.400 176.641 -0.241 1
1 1216 . 9 1 1 A 102 102 GLN CA C 101 56.800 58.823 -2.023 1
1 1217 . 9 1 1 A 102 102 GLN CB C 101 28.900 29.773 -0.873 1
1 1219 . 9 1 1 A 102 102 GLN N N 101 120.100 120.705 -0.605 1
1 1220 . 9 1 1 A 103 103 GLN H H 102 8.080 7.946 0.134 1
1 1221 . 9 1 1 A 103 103 GLN HA H 102 4.360 4.614 -0.254 1
1 1226 . 9 1 1 A 103 103 GLN C C 102 176.500 175.607 0.893 1
1 1227 . 9 1 1 A 103 103 GLN CA C 102 56.700 57.184 -0.484 1
1 1228 . 9 1 1 A 103 103 GLN CB C 102 29.000 29.942 -0.942 1
1 1230 . 9 1 1 A 103 103 GLN N N 102 119.700 117.105 2.595 1
1 1231 . 9 1 1 A 104 104 THR H H 103 8.070 8.299 -0.229 1
1 1232 . 9 1 1 A 104 104 THR HA H 103 4.350 4.576 -0.226 1
1 1237 . 9 1 1 A 104 104 THR C C 103 174.700 174.656 0.044 1
1 1238 . 9 1 1 A 104 104 THR CA C 103 62.500 62.392 0.108 1
1 1239 . 9 1 1 A 104 104 THR CB C 103 69.800 69.847 -0.047 1
1 1241 . 9 1 1 A 104 104 THR N N 103 113.900 110.350 3.550 1
1 1242 . 9 1 1 A 105 105 GLU H H 104 8.290 8.361 -0.071 1
1 1243 . 9 1 1 A 105 105 GLU HA H 104 4.350 4.634 -0.284 1
1 1248 . 9 1 1 A 105 105 GLU C C 104 176.300 176.452 -0.152 1
1 1249 . 9 1 1 A 105 105 GLU CA C 104 56.700 57.941 -1.241 1
1 1250 . 9 1 1 A 105 105 GLU CB C 104 29.900 32.345 -2.445 1
1 1252 . 9 1 1 A 105 105 GLU N N 104 122.900 120.546 2.354 1
1 1253 . 9 1 1 A 106 106 LYS H H 105 8.320 8.094 0.226 1
1 1254 . 9 1 1 A 106 106 LYS HA H 105 4.390 3.999 0.391 1
1 1263 . 9 1 1 A 106 106 LYS C C 105 176.800 176.249 0.551 1
1 1264 . 9 1 1 A 106 106 LYS CA C 105 56.700 57.101 -0.401 1
1 1265 . 9 1 1 A 106 106 LYS CB C 105 32.800 29.470 3.330 1
1 1269 . 9 1 1 A 106 106 LYS N N 105 121.900 118.456 3.444 1
1 1270 . 9 1 1 A 107 107 THR H H 106 8.150 7.930 0.220 1
1 1271 . 9 1 1 A 107 107 THR HA H 106 4.430 4.270 0.160 1
1 1276 . 9 1 1 A 107 107 THR C C 106 174.600 173.889 0.711 1
1 1277 . 9 1 1 A 107 107 THR CA C 106 62.000 64.917 -2.917 1
1 1278 . 9 1 1 A 107 107 THR CB C 106 70.000 69.794 0.206 1
1 1280 . 9 1 1 A 107 107 THR N N 106 115.000 111.555 3.445 1
1 1281 . 9 1 1 A 108 108 THR H H 107 8.190 8.112 0.078 1
1 1282 . 9 1 1 A 108 108 THR HA H 107 4.440 4.467 -0.027 1
1 1287 . 9 1 1 A 108 108 THR C C 107 174.500 173.994 0.506 1
1 1288 . 9 1 1 A 108 108 THR CA C 107 62.000 61.944 0.056 1
1 1289 . 9 1 1 A 108 108 THR CB C 107 69.800 68.491 1.309 1
1 1291 . 9 1 1 A 108 108 THR N N 107 116.500 113.494 3.006 1
1 1292 . 9 1 1 A 109 109 THR H H 108 8.170 8.613 -0.443 1
1 1293 . 9 1 1 A 109 109 THR HA H 108 4.350 4.847 -0.497 1
1 1298 . 9 1 1 A 109 109 THR C C 108 174.200 173.921 0.279 1
1 1299 . 9 1 1 A 109 109 THR CA C 108 62.000 61.002 0.998 1
1 1300 . 9 1 1 A 109 109 THR CB C 108 69.800 69.899 -0.099 1
1 1302 . 9 1 1 A 109 109 THR N N 108 117.200 118.921 -1.721 1
1 1303 . 9 1 1 A 110 110 VAL H H 109 8.100 8.568 -0.468 1
1 1304 . 9 1 1 A 110 110 VAL HA H 109 4.040 4.360 -0.320 1
1 1312 . 9 1 1 A 110 110 VAL C C 109 175.200 176.343 -1.143 1
1 1313 . 9 1 1 A 110 110 VAL CA C 109 62.300 61.754 0.546 1
1 1314 . 9 1 1 A 110 110 VAL CB C 109 32.600 31.709 0.891 1
1 1316 . 9 1 1 A 110 110 VAL N N 109 123.100 122.823 0.277 1
1 1317 . 9 1 1 A 111 111 LYS H H 110 8.200 8.918 -0.718 1
1 1318 . 9 1 1 A 111 111 LYS HA H 110 4.310 4.733 -0.423 1
1 1327 . 9 1 1 A 111 111 LYS C C 110 175.700 175.844 -0.144 1
1 1328 . 9 1 1 A 111 111 LYS CA C 110 55.700 55.648 0.052 1
1 1329 . 9 1 1 A 111 111 LYS CB C 110 33.300 33.769 -0.469 1
1 1333 . 9 1 1 A 111 111 LYS N N 110 125.200 123.426 1.774 1
1 1334 . 9 1 1 A 112 112 PHE H H 111 8.310 7.631 0.679 1
1 1335 . 9 1 1 A 112 112 PHE HA H 111 4.650 4.800 -0.150 1
1 1338 . 9 1 1 A 112 112 PHE C C 111 174.500 172.642 1.858 1
1 1339 . 9 1 1 A 112 112 PHE CA C 111 57.500 58.410 -0.910 1
1 1340 . 9 1 1 A 112 112 PHE CB C 111 39.700 41.521 -1.821 1
1 1341 . 9 1 1 A 112 112 PHE N N 111 122.100 118.366 3.734 1
1 1 . 10 1 1 A 2 2 SER H H 1 8.780 9.205 -0.425 1
1 2 . 10 1 1 A 2 2 SER HA H 1 4.480 5.004 -0.524 1
1 5 . 10 1 1 A 2 2 SER C C 1 175.000 174.224 0.776 1
1 6 . 10 1 1 A 2 2 SER CA C 1 59.100 57.567 1.533 1
1 7 . 10 1 1 A 2 2 SER CB C 1 63.900 65.278 -1.378 1
1 8 . 10 1 1 A 2 2 SER N N 1 116.600 117.931 -1.331 1
1 9 . 10 1 1 A 3 3 ALA H H 2 8.710 8.922 -0.212 1
1 10 . 10 1 1 A 3 3 ALA HA H 2 4.310 3.987 0.323 1
1 14 . 10 1 1 A 3 3 ALA C C 2 178.800 179.258 -0.458 1
1 15 . 10 1 1 A 3 3 ALA CA C 2 53.800 55.625 -1.825 1
1 16 . 10 1 1 A 3 3 ALA CB C 2 18.500 18.366 0.134 1
1 17 . 10 1 1 A 3 3 ALA N N 2 125.500 129.822 -4.322 1
1 18 . 10 1 1 A 4 4 ASP H H 3 8.190 8.348 -0.158 1
1 19 . 10 1 1 A 4 4 ASP HA H 3 4.500 4.348 0.152 1
1 22 . 10 1 1 A 4 4 ASP C C 3 177.700 178.360 -0.660 1
1 23 . 10 1 1 A 4 4 ASP CA C 3 55.900 57.542 -1.642 1
1 24 . 10 1 1 A 4 4 ASP CB C 3 40.500 41.064 -0.564 1
1 25 . 10 1 1 A 4 4 ASP N N 3 117.800 118.016 -0.216 1
1 26 . 10 1 1 A 5 5 GLU H H 4 8.150 8.244 -0.094 1
1 27 . 10 1 1 A 5 5 GLU HA H 4 4.140 4.038 0.102 1
1 32 . 10 1 1 A 5 5 GLU C C 4 178.600 179.120 -0.520 1
1 33 . 10 1 1 A 5 5 GLU CA C 4 58.600 59.543 -0.943 1
1 34 . 10 1 1 A 5 5 GLU CB C 4 29.100 29.142 -0.042 1
1 36 . 10 1 1 A 5 5 GLU N N 4 120.800 119.276 1.524 1
1 37 . 10 1 1 A 6 6 GLU H H 5 8.250 8.862 -0.612 1
1 38 . 10 1 1 A 6 6 GLU HA H 5 4.200 4.051 0.149 1
1 43 . 10 1 1 A 6 6 GLU C C 5 178.300 179.393 -1.093 1
1 44 . 10 1 1 A 6 6 GLU CA C 5 58.600 59.451 -0.851 1
1 45 . 10 1 1 A 6 6 GLU CB C 5 28.800 29.502 -0.702 1
1 47 . 10 1 1 A 6 6 GLU N N 5 120.800 120.930 -0.130 1
1 48 . 10 1 1 A 7 7 LEU H H 6 7.990 8.402 -0.412 1
1 49 . 10 1 1 A 7 7 LEU HA H 6 4.170 4.024 0.146 1
1 58 . 10 1 1 A 7 7 LEU C C 6 179.500 178.580 0.920 1
1 59 . 10 1 1 A 7 7 LEU CA C 6 57.500 58.023 -0.523 1
1 60 . 10 1 1 A 7 7 LEU CB C 6 41.600 41.878 -0.278 1
1 64 . 10 1 1 A 7 7 LEU N N 6 120.900 121.865 -0.965 1
1 65 . 10 1 1 A 8 8 GLU H H 7 8.130 8.356 -0.226 1
1 66 . 10 1 1 A 8 8 GLU HA H 7 4.160 4.016 0.144 1
1 71 . 10 1 1 A 8 8 GLU C C 7 178.300 179.282 -0.982 1
1 72 . 10 1 1 A 8 8 GLU CA C 7 58.800 59.636 -0.836 1
1 73 . 10 1 1 A 8 8 GLU CB C 7 28.800 29.224 -0.424 1
1 75 . 10 1 1 A 8 8 GLU N N 7 120.100 118.237 1.863 1
1 76 . 10 1 1 A 9 9 ALA H H 8 8.030 7.937 0.093 1
1 77 . 10 1 1 A 9 9 ALA HA H 8 4.090 4.044 0.046 1
1 81 . 10 1 1 A 9 9 ALA C C 8 180.500 180.113 0.387 1
1 82 . 10 1 1 A 9 9 ALA CA C 8 55.100 55.142 -0.042 1
1 83 . 10 1 1 A 9 9 ALA CB C 8 17.900 18.529 -0.629 1
1 84 . 10 1 1 A 9 9 ALA N N 8 122.100 122.533 -0.433 1
1 85 . 10 1 1 A 10 10 LEU H H 9 7.890 8.167 -0.277 1
1 86 . 10 1 1 A 10 10 LEU HA H 9 4.160 4.092 0.068 1
1 95 . 10 1 1 A 10 10 LEU C C 9 179.200 178.527 0.673 1
1 96 . 10 1 1 A 10 10 LEU CA C 9 57.500 57.653 -0.153 1
1 97 . 10 1 1 A 10 10 LEU CB C 9 41.800 41.772 0.028 1
1 101 . 10 1 1 A 10 10 LEU N N 9 119.500 119.549 -0.049 1
1 102 . 10 1 1 A 11 11 ARG H H 10 8.080 8.281 -0.201 1
1 103 . 10 1 1 A 11 11 ARG HA H 10 4.010 3.845 0.165 1
1 110 . 10 1 1 A 11 11 ARG C C 10 178.900 178.624 0.276 1
1 111 . 10 1 1 A 11 11 ARG CA C 10 59.400 59.636 -0.236 1
1 112 . 10 1 1 A 11 11 ARG CB C 10 30.100 29.730 0.370 1
1 115 . 10 1 1 A 11 11 ARG N N 10 120.400 119.107 1.293 1
1 116 . 10 1 1 A 12 12 ARG H H 11 8.170 7.748 0.422 1
1 117 . 10 1 1 A 12 12 ARG HA H 11 4.040 4.164 -0.124 1
1 124 . 10 1 1 A 12 12 ARG C C 11 178.900 178.871 0.029 1
1 125 . 10 1 1 A 12 12 ARG CA C 11 59.300 58.860 0.440 1
1 126 . 10 1 1 A 12 12 ARG CB C 11 30.000 30.051 -0.051 1
1 129 . 10 1 1 A 12 12 ARG N N 11 118.400 119.223 -0.823 1
1 130 . 10 1 1 A 13 13 GLN H H 12 8.060 8.535 -0.475 1
1 131 . 10 1 1 A 13 13 GLN HA H 12 4.150 4.003 0.147 1
1 136 . 10 1 1 A 13 13 GLN C C 12 177.900 178.700 -0.800 1
1 137 . 10 1 1 A 13 13 GLN CA C 12 58.600 59.285 -0.685 1
1 138 . 10 1 1 A 13 13 GLN CB C 12 28.500 28.361 0.139 1
1 140 . 10 1 1 A 13 13 GLN N N 12 120.400 119.355 1.045 1
1 141 . 10 1 1 A 14 14 ARG H H 13 8.180 7.794 0.386 1
1 142 . 10 1 1 A 14 14 ARG HA H 13 4.160 4.096 0.064 1
1 149 . 10 1 1 A 14 14 ARG C C 13 178.600 178.975 -0.375 1
1 150 . 10 1 1 A 14 14 ARG CA C 13 58.600 58.839 -0.239 1
1 151 . 10 1 1 A 14 14 ARG CB C 13 29.900 29.883 0.017 1
1 154 . 10 1 1 A 14 14 ARG N N 13 119.900 119.950 -0.050 1
1 155 . 10 1 1 A 15 15 LEU H H 14 7.980 8.234 -0.254 1
1 156 . 10 1 1 A 15 15 LEU HA H 14 4.180 4.133 0.047 1
1 165 . 10 1 1 A 15 15 LEU C C 14 178.800 179.547 -0.747 1
1 166 . 10 1 1 A 15 15 LEU CA C 14 57.300 57.268 0.032 1
1 167 . 10 1 1 A 15 15 LEU CB C 14 41.700 41.236 0.464 1
1 171 . 10 1 1 A 15 15 LEU N N 14 119.900 120.152 -0.252 1
1 172 . 10 1 1 A 16 16 ALA H H 15 7.930 8.109 -0.179 1
1 173 . 10 1 1 A 16 16 ALA HA H 15 4.190 4.049 0.141 1
1 177 . 10 1 1 A 16 16 ALA C C 15 180.100 179.923 0.177 1
1 178 . 10 1 1 A 16 16 ALA CA C 15 54.500 54.935 -0.435 1
1 179 . 10 1 1 A 16 16 ALA CB C 15 18.000 18.264 -0.264 1
1 180 . 10 1 1 A 16 16 ALA N N 15 122.000 122.264 -0.264 1
1 181 . 10 1 1 A 17 17 GLU H H 16 8.010 7.995 0.015 1
1 182 . 10 1 1 A 17 17 GLU HA H 16 4.160 4.000 0.160 1
1 187 . 10 1 1 A 17 17 GLU C C 16 178.100 178.845 -0.745 1
1 188 . 10 1 1 A 17 17 GLU CA C 16 58.100 59.492 -1.392 1
1 189 . 10 1 1 A 17 17 GLU CB C 16 28.900 29.314 -0.414 1
1 191 . 10 1 1 A 17 17 GLU N N 16 118.500 118.542 -0.042 1
1 192 . 10 1 1 A 18 18 LEU H H 17 7.890 7.514 0.376 1
1 193 . 10 1 1 A 18 18 LEU HA H 17 4.200 4.043 0.157 1
1 203 . 10 1 1 A 18 18 LEU C C 17 178.700 178.089 0.611 1
1 204 . 10 1 1 A 18 18 LEU CA C 17 56.900 57.996 -1.096 1
1 205 . 10 1 1 A 18 18 LEU CB C 17 42.100 41.892 0.208 1
1 209 . 10 1 1 A 18 18 LEU N N 17 120.400 122.308 -1.908 1
1 210 . 10 1 1 A 19 19 GLN H H 18 8.020 8.183 -0.163 1
1 211 . 10 1 1 A 19 19 GLN HA H 18 4.200 3.939 0.261 1
1 216 . 10 1 1 A 19 19 GLN C C 18 176.700 177.708 -1.008 1
1 217 . 10 1 1 A 19 19 GLN CA C 18 56.900 58.716 -1.816 1
1 218 . 10 1 1 A 19 19 GLN CB C 18 28.800 28.746 0.054 1
1 220 . 10 1 1 A 19 19 GLN N N 18 118.500 118.258 0.242 1
1 221 . 10 1 1 A 20 20 ALA H H 19 7.850 8.125 -0.275 1
1 222 . 10 1 1 A 20 20 ALA HA H 19 4.240 4.395 -0.155 1
1 226 . 10 1 1 A 20 20 ALA C C 19 178.000 177.074 0.926 1
1 227 . 10 1 1 A 20 20 ALA CA C 19 53.100 52.023 1.077 1
1 228 . 10 1 1 A 20 20 ALA CB C 19 18.700 19.420 -0.720 1
1 229 . 10 1 1 A 20 20 ALA N N 19 122.700 119.949 2.751 1
1 230 . 10 1 1 A 21 21 LYS H H 20 7.950 7.387 0.563 1
1 231 . 10 1 1 A 21 21 LYS HA H 20 4.260 4.424 -0.164 1
1 238 . 10 1 1 A 21 21 LYS C C 20 176.600 176.309 0.291 1
1 239 . 10 1 1 A 21 21 LYS CA C 20 56.500 55.658 0.842 1
1 240 . 10 1 1 A 21 21 LYS CB C 20 32.600 32.557 0.043 1
1 244 . 10 1 1 A 21 21 LYS N N 20 118.800 116.798 2.002 1
1 245 . 10 1 1 A 22 22 HIS H H 21 8.320 8.888 -0.568 1
1 246 . 10 1 1 A 22 22 HIS HA H 21 4.730 4.874 -0.144 1
1 249 . 10 1 1 A 22 22 HIS C C 21 174.800 175.291 -0.491 1
1 250 . 10 1 1 A 22 22 HIS CA C 21 55.400 55.973 -0.573 1
1 251 . 10 1 1 A 22 22 HIS CB C 21 28.800 30.152 -1.352 1
1 252 . 10 1 1 A 22 22 HIS N N 21 118.600 122.931 -4.331 1
1 253 . 10 1 1 A 23 23 GLY H H 22 8.360 7.656 0.704 1
1 254 . 10 1 1 A 23 23 GLY HA2 H 22 3.960 4.033 -0.073 1
1 255 . 10 1 1 A 23 23 GLY HA3 H 22 3.960 4.037 -0.077 1
1 256 . 10 1 1 A 23 23 GLY C C 22 173.200 173.550 -0.350 1
1 257 . 10 1 1 A 23 23 GLY CA C 22 45.000 45.742 -0.742 1
1 258 . 10 1 1 A 23 23 GLY N N 22 109.600 106.767 2.833 1
1 259 . 10 1 1 A 24 24 ASP H H 23 8.320 7.757 0.563 1
1 260 . 10 1 1 A 24 24 ASP HA H 23 4.940 5.099 -0.159 1
1 263 . 10 1 1 A 24 24 ASP C C 23 174.900 175.646 -0.746 1
1 264 . 10 1 1 A 24 24 ASP CA C 23 52.200 51.729 0.471 1
1 265 . 10 1 1 A 24 24 ASP CB C 23 41.300 42.675 -1.375 1
1 266 . 10 1 1 A 24 24 ASP N N 23 121.600 119.000 2.600 1
1 267 . 10 1 1 A 25 25 PRO HA H 24 4.430 4.243 0.187 1
1 274 . 10 1 1 A 25 25 PRO C C 24 177.800 178.079 -0.279 1
1 275 . 10 1 1 A 25 25 PRO CA C 24 64.100 63.767 0.333 1
1 276 . 10 1 1 A 25 25 PRO CB C 24 31.900 32.283 -0.383 1
1 279 . 10 1 1 A 26 26 GLY H H 25 8.520 8.606 -0.086 1
1 280 . 10 1 1 A 26 26 GLY HA2 H 25 3.940 3.875 0.065 1
1 281 . 10 1 1 A 26 26 GLY HA3 H 25 3.940 3.875 0.065 1
1 282 . 10 1 1 A 26 26 GLY C C 25 174.400 175.065 -0.665 1
1 283 . 10 1 1 A 26 26 GLY CA C 25 45.500 47.078 -1.578 1
1 284 . 10 1 1 A 26 26 GLY N N 25 108.300 110.924 -2.624 1
1 285 . 10 1 1 A 27 27 ASP H H 26 8.100 8.898 -0.798 1
1 286 . 10 1 1 A 27 27 ASP HA H 26 4.610 4.399 0.211 1
1 289 . 10 1 1 A 27 27 ASP C C 26 176.900 178.279 -1.379 1
1 290 . 10 1 1 A 27 27 ASP CA C 26 54.800 57.503 -2.703 1
1 291 . 10 1 1 A 27 27 ASP CB C 26 40.800 41.720 -0.920 1
1 292 . 10 1 1 A 27 27 ASP N N 26 120.700 126.183 -5.483 1
1 293 . 10 1 1 A 28 28 ALA H H 27 8.320 7.606 0.714 1
1 294 . 10 1 1 A 28 28 ALA HA H 27 4.180 3.974 0.206 1
1 298 . 10 1 1 A 28 28 ALA C C 27 179.300 179.730 -0.430 1
1 299 . 10 1 1 A 28 28 ALA CA C 27 54.600 54.790 -0.190 1
1 300 . 10 1 1 A 28 28 ALA CB C 27 18.400 18.081 0.319 1
1 301 . 10 1 1 A 28 28 ALA N N 27 124.100 120.623 3.477 1
1 302 . 10 1 1 A 29 29 ALA H H 28 8.250 7.677 0.573 1
1 303 . 10 1 1 A 29 29 ALA HA H 28 4.230 4.165 0.065 1
1 307 . 10 1 1 A 29 29 ALA C C 28 180.000 179.448 0.552 1
1 308 . 10 1 1 A 29 29 ALA CA C 28 54.300 54.922 -0.622 1
1 309 . 10 1 1 A 29 29 ALA CB C 28 18.200 18.442 -0.242 1
1 310 . 10 1 1 A 29 29 ALA N N 28 121.200 119.603 1.597 1
1 311 . 10 1 1 A 30 30 GLN H H 29 8.120 7.903 0.217 1
1 312 . 10 1 1 A 30 30 GLN HA H 29 4.230 4.040 0.190 1
1 317 . 10 1 1 A 30 30 GLN C C 29 177.900 178.737 -0.837 1
1 318 . 10 1 1 A 30 30 GLN CA C 29 57.800 58.739 -0.939 1
1 319 . 10 1 1 A 30 30 GLN CB C 29 28.600 28.444 0.156 1
1 321 . 10 1 1 A 30 30 GLN N N 29 118.800 118.055 0.745 1
1 322 . 10 1 1 A 31 31 GLN H H 30 8.240 8.421 -0.181 1
1 323 . 10 1 1 A 31 31 GLN HA H 30 4.120 4.016 0.104 1
1 328 . 10 1 1 A 31 31 GLN C C 30 178.100 178.482 -0.382 1
1 329 . 10 1 1 A 31 31 GLN CA C 30 58.000 59.160 -1.160 1
1 330 . 10 1 1 A 31 31 GLN CB C 30 28.500 28.126 0.374 1
1 332 . 10 1 1 A 31 31 GLN N N 30 119.600 119.730 -0.130 1
1 333 . 10 1 1 A 32 32 GLU H H 31 8.300 8.284 0.016 1
1 334 . 10 1 1 A 32 32 GLU HA H 31 4.190 4.115 0.075 1
1 339 . 10 1 1 A 32 32 GLU C C 31 178.100 178.607 -0.507 1
1 340 . 10 1 1 A 32 32 GLU CA C 31 58.600 59.477 -0.877 1
1 341 . 10 1 1 A 32 32 GLU CB C 31 28.800 29.313 -0.513 1
1 343 . 10 1 1 A 32 32 GLU N N 31 120.800 119.400 1.400 1
1 344 . 10 1 1 A 33 33 ALA H H 32 8.070 7.803 0.267 1
1 345 . 10 1 1 A 33 33 ALA HA H 32 4.160 4.134 0.026 1
1 349 . 10 1 1 A 33 33 ALA C C 32 179.900 180.443 -0.543 1
1 350 . 10 1 1 A 33 33 ALA CA C 32 54.900 54.934 -0.034 1
1 351 . 10 1 1 A 33 33 ALA CB C 32 18.200 18.335 -0.135 1
1 352 . 10 1 1 A 33 33 ALA N N 32 123.000 121.493 1.507 1
1 353 . 10 1 1 A 34 34 LYS H H 33 8.050 7.951 0.099 1
1 354 . 10 1 1 A 34 34 LYS HA H 33 4.150 4.082 0.068 1
1 363 . 10 1 1 A 34 34 LYS C C 33 178.900 179.045 -0.145 1
1 364 . 10 1 1 A 34 34 LYS CA C 33 58.600 59.026 -0.426 1
1 365 . 10 1 1 A 34 34 LYS CB C 33 32.300 32.006 0.294 1
1 369 . 10 1 1 A 34 34 LYS N N 33 118.600 118.754 -0.154 1
1 370 . 10 1 1 A 35 35 HIS H H 34 8.240 8.312 -0.072 1
1 371 . 10 1 1 A 35 35 HIS HA H 34 4.580 4.136 0.444 1
1 374 . 10 1 1 A 35 35 HIS C C 34 176.300 177.433 -1.133 1
1 375 . 10 1 1 A 35 35 HIS CA C 34 57.800 59.632 -1.832 1
1 376 . 10 1 1 A 35 35 HIS CB C 34 28.300 29.758 -1.458 1
1 377 . 10 1 1 A 35 35 HIS N N 34 119.100 119.490 -0.390 1
1 378 . 10 1 1 A 36 36 ARG H H 35 8.390 7.931 0.459 1
1 379 . 10 1 1 A 36 36 ARG HA H 35 4.160 3.734 0.426 1
1 386 . 10 1 1 A 36 36 ARG C C 35 178.500 179.141 -0.641 1
1 387 . 10 1 1 A 36 36 ARG CA C 35 58.800 59.384 -0.584 1
1 388 . 10 1 1 A 36 36 ARG CB C 35 29.200 29.953 -0.753 1
1 391 . 10 1 1 A 36 36 ARG N N 35 120.600 118.693 1.907 1
1 392 . 10 1 1 A 37 37 GLU H H 36 8.240 7.931 0.309 1
1 393 . 10 1 1 A 37 37 GLU HA H 36 4.080 4.070 0.010 1
1 398 . 10 1 1 A 37 37 GLU C C 36 178.200 178.821 -0.621 1
1 399 . 10 1 1 A 37 37 GLU CA C 36 59.100 59.079 0.021 1
1 400 . 10 1 1 A 37 37 GLU CB C 36 29.100 29.663 -0.563 1
1 402 . 10 1 1 A 37 37 GLU N N 36 120.400 119.603 0.797 1
1 403 . 10 1 1 A 38 38 ALA H H 37 7.980 8.313 -0.333 1
1 404 . 10 1 1 A 38 38 ALA HA H 37 4.100 4.095 0.005 1
1 408 . 10 1 1 A 38 38 ALA C C 37 179.800 180.081 -0.281 1
1 409 . 10 1 1 A 38 38 ALA CA C 37 55.100 55.355 -0.255 1
1 410 . 10 1 1 A 38 38 ALA CB C 37 18.000 18.166 -0.166 1
1 411 . 10 1 1 A 38 38 ALA N N 37 122.000 122.639 -0.639 1
1 412 . 10 1 1 A 39 39 GLU H H 38 8.050 8.346 -0.296 1
1 413 . 10 1 1 A 39 39 GLU HA H 38 4.120 3.902 0.218 1
1 418 . 10 1 1 A 39 39 GLU C C 38 179.000 178.683 0.317 1
1 419 . 10 1 1 A 39 39 GLU CA C 38 58.800 59.593 -0.793 1
1 420 . 10 1 1 A 39 39 GLU CB C 38 29.100 29.085 0.015 1
1 422 . 10 1 1 A 39 39 GLU N N 38 118.200 118.198 0.002 1
1 423 . 10 1 1 A 40 40 MET H H 39 8.130 8.201 -0.071 1
1 424 . 10 1 1 A 40 40 MET HA H 39 4.200 4.126 0.074 1
1 429 . 10 1 1 A 40 40 MET C C 39 178.200 178.491 -0.291 1
1 430 . 10 1 1 A 40 40 MET CA C 39 58.100 58.628 -0.528 1
1 431 . 10 1 1 A 40 40 MET CB C 39 32.300 32.754 -0.454 1
1 433 . 10 1 1 A 40 40 MET N N 39 120.300 119.173 1.127 1
1 434 . 10 1 1 A 41 41 ARG HA H 40 3.890 4.149 -0.259 1
1 441 . 10 1 1 A 41 41 ARG C C 40 177.700 179.185 -1.485 1
1 442 . 10 1 1 A 41 41 ARG CA C 40 59.500 59.394 0.106 1
1 443 . 10 1 1 A 41 41 ARG CB C 40 30.300 30.426 -0.126 1
1 444 . 10 1 1 A 42 42 ASN H H 41 8.190 9.033 -0.843 1
1 445 . 10 1 1 A 42 42 ASN HA H 41 4.440 4.512 -0.072 1
1 450 . 10 1 1 A 42 42 ASN C C 41 177.700 177.503 0.197 1
1 451 . 10 1 1 A 42 42 ASN CA C 41 55.900 56.245 -0.345 1
1 452 . 10 1 1 A 42 42 ASN CB C 41 38.100 39.595 -1.495 1
1 453 . 10 1 1 A 42 42 ASN N N 41 116.300 118.910 -2.610 1
1 455 . 10 1 1 A 43 43 SER H H 42 8.130 7.987 0.143 1
1 456 . 10 1 1 A 43 43 SER HA H 42 4.300 4.162 0.138 1
1 459 . 10 1 1 A 43 43 SER C C 42 176.600 176.553 0.047 1
1 460 . 10 1 1 A 43 43 SER CA C 42 61.200 61.460 -0.260 1
1 461 . 10 1 1 A 43 43 SER CB C 42 63.100 62.209 0.891 1
1 462 . 10 1 1 A 43 43 SER N N 42 116.300 114.809 1.491 1
1 463 . 10 1 1 A 44 44 ILE H H 43 7.940 7.802 0.138 1
1 464 . 10 1 1 A 44 44 ILE HA H 43 3.860 3.808 0.052 1
1 474 . 10 1 1 A 44 44 ILE C C 43 178.400 178.096 0.304 1
1 475 . 10 1 1 A 44 44 ILE CA C 43 64.500 64.463 0.037 1
1 476 . 10 1 1 A 44 44 ILE CB C 43 37.900 37.534 0.366 1
1 480 . 10 1 1 A 44 44 ILE N N 43 122.500 118.654 3.846 1
1 481 . 10 1 1 A 45 45 LEU H H 44 8.070 8.020 0.050 1
1 482 . 10 1 1 A 45 45 LEU HA H 44 3.940 3.945 -0.005 1
1 492 . 10 1 1 A 45 45 LEU C C 44 178.200 178.911 -0.711 1
1 493 . 10 1 1 A 45 45 LEU CA C 44 58.100 57.983 0.117 1
1 494 . 10 1 1 A 45 45 LEU CB C 44 41.100 41.405 -0.305 1
1 498 . 10 1 1 A 45 45 LEU N N 44 119.100 121.946 -2.846 1
1 499 . 10 1 1 A 46 46 ALA H H 45 7.760 8.484 -0.724 1
1 500 . 10 1 1 A 46 46 ALA HA H 45 4.100 4.119 -0.019 1
1 504 . 10 1 1 A 46 46 ALA C C 45 178.700 178.160 0.540 1
1 505 . 10 1 1 A 46 46 ALA CA C 45 54.100 54.363 -0.263 1
1 506 . 10 1 1 A 46 46 ALA CB C 45 18.100 18.217 -0.117 1
1 507 . 10 1 1 A 46 46 ALA N N 45 117.600 121.157 -3.557 1
1 508 . 10 1 1 A 47 47 GLN H H 46 7.570 7.432 0.138 1
1 509 . 10 1 1 A 47 47 GLN HA H 46 4.270 4.346 -0.076 1
1 514 . 10 1 1 A 47 47 GLN C C 46 177.800 177.354 0.446 1
1 515 . 10 1 1 A 47 47 GLN CA C 46 57.300 56.984 0.316 1
1 516 . 10 1 1 A 47 47 GLN CB C 46 29.500 29.187 0.313 1
1 518 . 10 1 1 A 47 47 GLN N N 46 114.300 115.932 -1.632 1
1 519 . 10 1 1 A 48 48 VAL H H 47 7.690 7.204 0.486 1
1 520 . 10 1 1 A 48 48 VAL HA H 47 4.380 4.248 0.132 1
1 528 . 10 1 1 A 48 48 VAL C C 47 174.400 176.174 -1.774 1
1 529 . 10 1 1 A 48 48 VAL CA C 47 62.600 63.647 -1.047 1
1 530 . 10 1 1 A 48 48 VAL CB C 47 32.800 32.526 0.274 1
1 533 . 10 1 1 A 48 48 VAL N N 47 111.900 110.599 1.301 1
1 534 . 10 1 1 A 49 49 LEU H H 48 7.480 7.763 -0.283 1
1 535 . 10 1 1 A 49 49 LEU HA H 48 4.910 4.364 0.546 1
1 545 . 10 1 1 A 49 49 LEU C C 48 177.000 175.953 1.047 1
1 546 . 10 1 1 A 49 49 LEU CA C 48 53.700 53.931 -0.231 1
1 547 . 10 1 1 A 49 49 LEU CB C 48 44.500 42.510 1.990 1
1 551 . 10 1 1 A 49 49 LEU N N 48 119.600 122.363 -2.763 1
1 552 . 10 1 1 A 50 50 ASP H H 49 8.430 8.893 -0.463 1
1 553 . 10 1 1 A 50 50 ASP HA H 49 4.630 4.549 0.081 1
1 556 . 10 1 1 A 50 50 ASP C C 49 176.000 177.438 -1.438 1
1 557 . 10 1 1 A 50 50 ASP CA C 49 53.000 54.428 -1.428 1
1 558 . 10 1 1 A 50 50 ASP CB C 49 40.200 42.836 -2.636 1
1 559 . 10 1 1 A 50 50 ASP N N 49 121.200 125.327 -4.127 1
1 560 . 10 1 1 A 51 51 GLN H H 50 8.580 8.971 -0.391 1
1 561 . 10 1 1 A 51 51 GLN HA H 50 3.950 3.961 -0.011 1
1 566 . 10 1 1 A 51 51 GLN C C 50 178.800 177.671 1.129 1
1 567 . 10 1 1 A 51 51 GLN CA C 50 60.200 58.822 1.378 1
1 568 . 10 1 1 A 51 51 GLN CB C 50 28.300 27.993 0.307 1
1 570 . 10 1 1 A 51 51 GLN N N 50 118.200 125.783 -7.583 1
1 571 . 10 1 1 A 52 52 SER H H 51 8.430 8.501 -0.071 1
1 572 . 10 1 1 A 52 52 SER HA H 51 4.320 4.216 0.104 1
1 575 . 10 1 1 A 52 52 SER C C 51 177.200 177.013 0.187 1
1 576 . 10 1 1 A 52 52 SER CA C 51 61.500 61.362 0.138 1
1 577 . 10 1 1 A 52 52 SER CB C 51 62.400 62.380 0.020 1
1 578 . 10 1 1 A 52 52 SER N N 51 117.000 115.750 1.250 1
1 579 . 10 1 1 A 53 53 ALA H H 52 8.760 7.923 0.837 1
1 580 . 10 1 1 A 53 53 ALA HA H 52 3.960 4.024 -0.064 1
1 584 . 10 1 1 A 53 53 ALA C C 52 178.900 179.529 -0.629 1
1 585 . 10 1 1 A 53 53 ALA CA C 52 55.400 55.034 0.366 1
1 586 . 10 1 1 A 53 53 ALA CB C 52 19.200 18.125 1.075 1
1 587 . 10 1 1 A 53 53 ALA N N 52 127.400 123.684 3.716 1
1 588 . 10 1 1 A 54 54 ARG H H 53 8.640 8.446 0.194 1
1 589 . 10 1 1 A 54 54 ARG HA H 53 3.880 4.041 -0.161 1
1 596 . 10 1 1 A 54 54 ARG C C 53 179.000 178.071 0.929 1
1 597 . 10 1 1 A 54 54 ARG CA C 53 59.700 59.212 0.488 1
1 598 . 10 1 1 A 54 54 ARG CB C 53 29.900 29.900 0.000 1
1 601 . 10 1 1 A 54 54 ARG N N 53 118.200 118.912 -0.712 1
1 602 . 10 1 1 A 55 55 ALA H H 54 7.960 8.406 -0.446 1
1 603 . 10 1 1 A 55 55 ALA HA H 54 4.190 4.051 0.139 1
1 607 . 10 1 1 A 55 55 ALA C C 54 180.100 178.985 1.115 1
1 608 . 10 1 1 A 55 55 ALA CA C 54 55.100 55.397 -0.297 1
1 609 . 10 1 1 A 55 55 ALA CB C 54 17.700 18.403 -0.703 1
1 610 . 10 1 1 A 55 55 ALA N N 54 122.200 121.761 0.439 1
1 611 . 10 1 1 A 56 56 ARG H H 55 7.800 7.989 -0.189 1
1 612 . 10 1 1 A 56 56 ARG HA H 55 4.160 4.130 0.030 1
1 619 . 10 1 1 A 56 56 ARG C C 55 178.900 178.205 0.695 1
1 620 . 10 1 1 A 56 56 ARG CA C 55 58.300 58.716 -0.416 1
1 621 . 10 1 1 A 56 56 ARG CB C 55 29.100 29.977 -0.877 1
1 624 . 10 1 1 A 56 56 ARG N N 55 119.100 118.882 0.218 1
1 625 . 10 1 1 A 57 57 LEU H H 56 8.390 8.258 0.132 1
1 626 . 10 1 1 A 57 57 LEU HA H 56 4.060 4.132 -0.072 1
1 635 . 10 1 1 A 57 57 LEU C C 56 178.100 178.927 -0.827 1
1 636 . 10 1 1 A 57 57 LEU CA C 56 57.800 57.508 0.292 1
1 637 . 10 1 1 A 57 57 LEU CB C 56 41.600 41.156 0.444 1
1 641 . 10 1 1 A 57 57 LEU N N 56 120.600 121.412 -0.812 1
1 642 . 10 1 1 A 58 58 SER H H 57 8.150 8.038 0.112 1
1 643 . 10 1 1 A 58 58 SER HA H 57 4.210 4.185 0.025 1
1 646 . 10 1 1 A 58 58 SER C C 57 176.500 176.942 -0.442 1
1 647 . 10 1 1 A 58 58 SER CA C 57 61.800 61.684 0.116 1
1 648 . 10 1 1 A 58 58 SER CB C 57 62.600 62.940 -0.340 1
1 649 . 10 1 1 A 58 58 SER N N 57 114.100 116.433 -2.333 1
1 650 . 10 1 1 A 59 59 ASN H H 58 7.700 8.257 -0.557 1
1 651 . 10 1 1 A 59 59 ASN HA H 58 4.580 4.529 0.051 1
1 656 . 10 1 1 A 59 59 ASN C C 58 178.000 178.238 -0.238 1
1 657 . 10 1 1 A 59 59 ASN CA C 58 56.200 56.311 -0.111 1
1 658 . 10 1 1 A 59 59 ASN CB C 58 38.700 38.068 0.632 1
1 659 . 10 1 1 A 59 59 ASN N N 58 119.500 120.930 -1.430 1
1 661 . 10 1 1 A 60 60 LEU H H 59 8.250 8.288 -0.038 1
1 662 . 10 1 1 A 60 60 LEU HA H 59 4.070 4.043 0.027 1
1 671 . 10 1 1 A 60 60 LEU C C 59 178.400 179.522 -1.122 1
1 672 . 10 1 1 A 60 60 LEU CA C 59 57.500 57.958 -0.458 1
1 673 . 10 1 1 A 60 60 LEU CB C 59 42.100 40.812 1.288 1
1 677 . 10 1 1 A 60 60 LEU N N 59 123.000 121.124 1.876 1
1 678 . 10 1 1 A 61 61 ALA H H 60 8.070 7.900 0.170 1
1 679 . 10 1 1 A 61 61 ALA HA H 60 3.910 4.228 -0.318 1
1 683 . 10 1 1 A 61 61 ALA C C 60 178.400 178.534 -0.134 1
1 684 . 10 1 1 A 61 61 ALA CA C 60 54.600 54.356 0.244 1
1 685 . 10 1 1 A 61 61 ALA CB C 60 18.200 18.256 -0.056 1
1 686 . 10 1 1 A 61 61 ALA N N 60 120.700 122.199 -1.499 1
1 687 . 10 1 1 A 62 62 LEU H H 61 7.170 7.501 -0.331 1
1 688 . 10 1 1 A 62 62 LEU HA H 61 4.200 4.203 -0.003 1
1 695 . 10 1 1 A 62 62 LEU C C 61 178.300 177.751 0.549 1
1 696 . 10 1 1 A 62 62 LEU CA C 61 56.500 56.191 0.309 1
1 697 . 10 1 1 A 62 62 LEU CB C 61 42.100 42.136 -0.036 1
1 701 . 10 1 1 A 62 62 LEU N N 61 113.700 117.684 -3.984 1
1 702 . 10 1 1 A 63 63 VAL H H 62 7.330 7.341 -0.011 1
1 703 . 10 1 1 A 63 63 VAL HA H 62 4.380 4.319 0.061 1
1 711 . 10 1 1 A 63 63 VAL C C 62 176.200 175.929 0.271 1
1 712 . 10 1 1 A 63 63 VAL CA C 62 62.800 62.477 0.323 1
1 713 . 10 1 1 A 63 63 VAL CB C 62 33.900 33.379 0.521 1
1 716 . 10 1 1 A 63 63 VAL N N 62 112.500 110.056 2.444 1
1 717 . 10 1 1 A 64 64 LYS H H 63 8.710 8.313 0.397 1
1 718 . 10 1 1 A 64 64 LYS HA H 63 5.000 4.746 0.254 1
1 727 . 10 1 1 A 64 64 LYS C C 63 174.200 175.113 -0.913 1
1 728 . 10 1 1 A 64 64 LYS CA C 63 53.600 54.101 -0.501 1
1 729 . 10 1 1 A 64 64 LYS CB C 63 33.400 32.774 0.626 1
1 733 . 10 1 1 A 64 64 LYS N N 63 120.400 120.861 -0.461 1
1 734 . 10 1 1 A 65 65 PRO HA H 64 4.360 4.230 0.130 1
1 741 . 10 1 1 A 65 65 PRO C C 64 179.400 179.076 0.324 1
1 742 . 10 1 1 A 65 65 PRO CA C 64 66.000 65.170 0.830 1
1 743 . 10 1 1 A 65 65 PRO CB C 64 31.400 31.899 -0.499 1
1 746 . 10 1 1 A 66 66 GLU H H 65 8.920 8.457 0.463 1
1 747 . 10 1 1 A 66 66 GLU HA H 65 4.200 4.063 0.137 1
1 752 . 10 1 1 A 66 66 GLU C C 65 179.600 179.568 0.032 1
1 753 . 10 1 1 A 66 66 GLU CA C 65 59.400 59.874 -0.474 1
1 754 . 10 1 1 A 66 66 GLU CB C 65 28.300 29.000 -0.700 1
1 756 . 10 1 1 A 66 66 GLU N N 65 118.700 117.772 0.928 1
1 757 . 10 1 1 A 67 67 LYS H H 66 8.000 8.033 -0.033 1
1 758 . 10 1 1 A 67 67 LYS HA H 66 4.160 4.156 0.004 1
1 767 . 10 1 1 A 67 67 LYS C C 66 178.400 179.138 -0.738 1
1 768 . 10 1 1 A 67 67 LYS CA C 66 58.500 58.748 -0.248 1
1 769 . 10 1 1 A 67 67 LYS CB C 66 32.300 31.991 0.309 1
1 773 . 10 1 1 A 67 67 LYS N N 66 121.300 118.829 2.471 1
1 774 . 10 1 1 A 68 68 THR H H 67 7.960 7.807 0.153 1
1 775 . 10 1 1 A 68 68 THR HA H 67 4.130 3.851 0.279 1
1 780 . 10 1 1 A 68 68 THR C C 67 176.200 176.148 0.052 1
1 781 . 10 1 1 A 68 68 THR CA C 67 67.800 67.299 0.501 1
1 782 . 10 1 1 A 68 68 THR CB C 67 67.800 68.560 -0.760 1
1 784 . 10 1 1 A 68 68 THR N N 67 114.200 116.920 -2.720 1
1 785 . 10 1 1 A 69 69 LYS H H 68 7.770 8.559 -0.789 1
1 786 . 10 1 1 A 69 69 LYS HA H 68 3.990 4.082 -0.092 1
1 795 . 10 1 1 A 69 69 LYS C C 68 178.100 178.912 -0.812 1
1 796 . 10 1 1 A 69 69 LYS CA C 68 59.400 59.432 -0.032 1
1 797 . 10 1 1 A 69 69 LYS CB C 68 31.700 32.257 -0.557 1
1 801 . 10 1 1 A 69 69 LYS N N 68 122.000 119.494 2.506 1
1 802 . 10 1 1 A 70 70 ALA H H 69 7.480 7.807 -0.327 1
1 803 . 10 1 1 A 70 70 ALA HA H 69 4.240 4.037 0.203 1
1 807 . 10 1 1 A 70 70 ALA C C 69 181.200 179.685 1.515 1
1 808 . 10 1 1 A 70 70 ALA CA C 69 55.200 55.136 0.064 1
1 809 . 10 1 1 A 70 70 ALA CB C 69 17.900 18.495 -0.595 1
1 810 . 10 1 1 A 70 70 ALA N N 69 120.300 122.370 -2.070 1
1 811 . 10 1 1 A 71 71 VAL H H 70 8.160 8.087 0.073 1
1 812 . 10 1 1 A 71 71 VAL HA H 70 3.620 3.809 -0.189 1
1 820 . 10 1 1 A 71 71 VAL C C 70 177.400 178.098 -0.698 1
1 821 . 10 1 1 A 71 71 VAL CA C 70 66.600 65.120 1.480 1
1 822 . 10 1 1 A 71 71 VAL CB C 70 31.500 31.562 -0.062 1
1 825 . 10 1 1 A 71 71 VAL N N 70 120.300 116.520 3.780 1
1 826 . 10 1 1 A 72 72 GLU H H 71 8.690 8.665 0.025 1
1 827 . 10 1 1 A 72 72 GLU HA H 71 3.800 3.958 -0.158 1
1 832 . 10 1 1 A 72 72 GLU C C 71 178.000 178.981 -0.981 1
1 833 . 10 1 1 A 72 72 GLU CA C 71 60.400 60.199 0.201 1
1 834 . 10 1 1 A 72 72 GLU CB C 71 29.200 29.418 -0.218 1
1 836 . 10 1 1 A 72 72 GLU N N 71 119.300 122.091 -2.791 1
1 837 . 10 1 1 A 73 73 ASN H H 72 8.460 8.346 0.114 1
1 838 . 10 1 1 A 73 73 ASN HA H 72 4.440 4.438 0.002 1
1 843 . 10 1 1 A 73 73 ASN C C 72 177.600 177.140 0.460 1
1 844 . 10 1 1 A 73 73 ASN CA C 72 56.200 56.243 -0.043 1
1 845 . 10 1 1 A 73 73 ASN CB C 72 37.600 39.085 -1.485 1
1 846 . 10 1 1 A 73 73 ASN N N 72 115.900 118.471 -2.571 1
1 848 . 10 1 1 A 74 74 TYR H H 73 7.940 8.149 -0.209 1
1 849 . 10 1 1 A 74 74 TYR HA H 73 4.200 4.190 0.010 1
1 856 . 10 1 1 A 74 74 TYR C C 73 177.600 176.874 0.726 1
1 857 . 10 1 1 A 74 74 TYR CA C 73 61.500 61.405 0.095 1
1 858 . 10 1 1 A 74 74 TYR CB C 73 38.400 38.807 -0.407 1
1 863 . 10 1 1 A 74 74 TYR N N 73 122.400 120.678 1.722 1
1 864 . 10 1 1 A 75 75 LEU H H 74 8.410 8.775 -0.365 1
1 865 . 10 1 1 A 75 75 LEU HA H 74 3.930 3.684 0.246 1
1 875 . 10 1 1 A 75 75 LEU C C 74 178.500 178.992 -0.492 1
1 876 . 10 1 1 A 75 75 LEU CA C 74 58.100 57.834 0.266 1
1 877 . 10 1 1 A 75 75 LEU CB C 74 42.600 41.382 1.218 1
1 881 . 10 1 1 A 75 75 LEU N N 74 119.500 119.654 -0.154 1
1 882 . 10 1 1 A 76 76 ILE H H 75 8.400 8.256 0.144 1
1 883 . 10 1 1 A 76 76 ILE HA H 75 3.570 3.529 0.041 1
1 890 . 10 1 1 A 76 76 ILE C C 75 178.100 178.769 -0.669 1
1 891 . 10 1 1 A 76 76 ILE CA C 75 65.200 65.205 -0.005 1
1 892 . 10 1 1 A 76 76 ILE CB C 75 37.800 37.754 0.046 1
1 896 . 10 1 1 A 76 76 ILE N N 75 118.600 119.902 -1.302 1
1 897 . 10 1 1 A 77 77 GLN H H 76 7.830 7.736 0.094 1
1 898 . 10 1 1 A 77 77 GLN HA H 76 3.920 4.043 -0.123 1
1 903 . 10 1 1 A 77 77 GLN C C 76 178.100 177.745 0.355 1
1 904 . 10 1 1 A 77 77 GLN CA C 76 59.100 58.699 0.401 1
1 905 . 10 1 1 A 77 77 GLN CB C 76 28.000 28.620 -0.620 1
1 907 . 10 1 1 A 77 77 GLN N N 76 119.300 120.826 -1.526 1
1 908 . 10 1 1 A 78 78 MET H H 77 8.060 8.212 -0.152 1
1 909 . 10 1 1 A 78 78 MET HA H 77 4.040 3.424 0.616 1
1 912 . 10 1 1 A 78 78 MET C C 77 178.700 177.691 1.009 1
1 913 . 10 1 1 A 78 78 MET CA C 77 58.600 57.708 0.892 1
1 914 . 10 1 1 A 78 78 MET CB C 77 33.000 31.592 1.408 1
1 916 . 10 1 1 A 78 78 MET N N 77 117.600 118.426 -0.826 1
1 917 . 10 1 1 A 79 79 ALA H H 78 8.210 8.460 -0.250 1
1 918 . 10 1 1 A 79 79 ALA HA H 78 4.190 3.880 0.310 1
1 922 . 10 1 1 A 79 79 ALA C C 78 180.600 179.369 1.231 1
1 923 . 10 1 1 A 79 79 ALA CA C 78 54.100 55.443 -1.343 1
1 924 . 10 1 1 A 79 79 ALA CB C 78 18.400 18.451 -0.051 1
1 925 . 10 1 1 A 79 79 ALA N N 78 121.400 121.599 -0.199 1
1 926 . 10 1 1 A 80 80 ARG H H 79 8.120 7.623 0.497 1
1 927 . 10 1 1 A 80 80 ARG HA H 79 3.960 4.180 -0.220 1
1 934 . 10 1 1 A 80 80 ARG C C 79 177.900 177.198 0.702 1
1 935 . 10 1 1 A 80 80 ARG CA C 79 58.800 57.650 1.150 1
1 936 . 10 1 1 A 80 80 ARG CB C 79 29.900 30.053 -0.153 1
1 939 . 10 1 1 A 80 80 ARG N N 79 119.100 117.754 1.346 1
1 940 . 10 1 1 A 81 81 TYR H H 80 7.800 7.730 0.070 1
1 941 . 10 1 1 A 81 81 TYR HA H 80 4.710 4.566 0.144 1
1 948 . 10 1 1 A 81 81 TYR C C 80 176.500 175.942 0.558 1
1 949 . 10 1 1 A 81 81 TYR CA C 80 57.500 58.050 -0.550 1
1 950 . 10 1 1 A 81 81 TYR CB C 80 38.100 38.734 -0.634 1
1 955 . 10 1 1 A 81 81 TYR N N 80 115.900 116.840 -0.940 1
1 956 . 10 1 1 A 82 82 GLY H H 81 7.850 7.599 0.251 1
1 957 . 10 1 1 A 82 82 GLY HA2 H 81 4.030 3.991 0.039 1
1 958 . 10 1 1 A 82 82 GLY HA3 H 81 4.030 3.993 0.037 1
1 959 . 10 1 1 A 82 82 GLY C C 81 174.900 174.995 -0.095 1
1 960 . 10 1 1 A 82 82 GLY CA C 81 46.300 46.176 0.124 1
1 961 . 10 1 1 A 82 82 GLY N N 81 108.500 108.399 0.101 1
1 962 . 10 1 1 A 83 83 GLN H H 82 8.200 8.269 -0.069 1
1 963 . 10 1 1 A 83 83 GLN HA H 82 4.310 4.321 -0.011 1
1 968 . 10 1 1 A 83 83 GLN C C 82 175.500 176.171 -0.671 1
1 969 . 10 1 1 A 83 83 GLN CA C 82 55.700 56.574 -0.874 1
1 970 . 10 1 1 A 83 83 GLN CB C 82 29.400 29.211 0.189 1
1 972 . 10 1 1 A 83 83 GLN N N 82 116.900 117.833 -0.933 1
1 973 . 10 1 1 A 84 84 LEU H H 83 7.990 7.771 0.219 1
1 974 . 10 1 1 A 84 84 LEU HA H 83 4.610 4.543 0.067 1
1 984 . 10 1 1 A 84 84 LEU C C 83 176.500 176.011 0.489 1
1 985 . 10 1 1 A 84 84 LEU CA C 83 54.300 54.176 0.124 1
1 986 . 10 1 1 A 84 84 LEU CB C 83 42.600 41.073 1.527 1
1 990 . 10 1 1 A 84 84 LEU N N 83 121.400 121.386 0.014 1
1 991 . 10 1 1 A 85 85 SER H H 84 8.630 8.580 0.050 1
1 992 . 10 1 1 A 85 85 SER HA H 84 4.410 4.800 -0.390 1
1 995 . 10 1 1 A 85 85 SER C C 84 173.700 173.300 0.400 1
1 996 . 10 1 1 A 85 85 SER CA C 84 59.400 57.102 2.298 1
1 997 . 10 1 1 A 85 85 SER CB C 84 63.900 64.251 -0.351 1
1 998 . 10 1 1 A 85 85 SER N N 84 118.400 120.435 -2.035 1
1 999 . 10 1 1 A 86 86 GLU H H 85 7.690 7.525 0.165 1
1 1000 . 10 1 1 A 86 86 GLU HA H 85 4.530 4.771 -0.241 1
1 1005 . 10 1 1 A 86 86 GLU C C 85 175.400 174.282 1.118 1
1 1006 . 10 1 1 A 86 86 GLU CA C 85 54.900 55.342 -0.442 1
1 1007 . 10 1 1 A 86 86 GLU CB C 85 31.200 33.301 -2.101 1
1 1009 . 10 1 1 A 86 86 GLU N N 85 119.400 121.452 -2.052 1
1 1010 . 10 1 1 A 87 87 LYS H H 86 8.380 8.414 -0.034 1
1 1011 . 10 1 1 A 87 87 LYS HA H 86 4.230 5.219 -0.989 1
1 1018 . 10 1 1 A 87 87 LYS C C 86 176.900 176.027 0.873 1
1 1019 . 10 1 1 A 87 87 LYS CA C 86 57.000 55.713 1.287 1
1 1020 . 10 1 1 A 87 87 LYS CB C 86 33.300 34.233 -0.933 1
1 1024 . 10 1 1 A 87 87 LYS N N 86 120.400 123.188 -2.788 1
1 1025 . 10 1 1 A 88 88 VAL H H 87 8.960 9.147 -0.187 1
1 1026 . 10 1 1 A 88 88 VAL HA H 87 3.970 4.474 -0.504 1
1 1034 . 10 1 1 A 88 88 VAL C C 87 174.700 175.489 -0.789 1
1 1035 . 10 1 1 A 88 88 VAL CA C 87 63.300 61.730 1.570 1
1 1036 . 10 1 1 A 88 88 VAL CB C 87 32.400 32.282 0.118 1
1 1038 . 10 1 1 A 88 88 VAL N N 87 125.200 123.846 1.354 1
1 1039 . 10 1 1 A 89 89 SER H H 88 8.190 8.822 -0.632 1
1 1040 . 10 1 1 A 89 89 SER HA H 88 4.990 4.630 0.360 1
1 1043 . 10 1 1 A 89 89 SER C C 88 175.700 175.665 0.035 1
1 1044 . 10 1 1 A 89 89 SER CA C 88 56.200 57.800 -1.600 1
1 1045 . 10 1 1 A 89 89 SER CB C 88 66.600 64.641 1.959 1
1 1046 . 10 1 1 A 89 89 SER N N 88 121.700 123.070 -1.370 1
1 1047 . 10 1 1 A 90 90 GLU H H 89 9.230 8.786 0.444 1
1 1048 . 10 1 1 A 90 90 GLU HA H 89 3.720 4.002 -0.282 1
1 1053 . 10 1 1 A 90 90 GLU C C 89 177.700 179.050 -1.350 1
1 1054 . 10 1 1 A 90 90 GLU CA C 89 61.200 59.811 1.389 1
1 1055 . 10 1 1 A 90 90 GLU CB C 89 29.100 29.482 -0.382 1
1 1057 . 10 1 1 A 90 90 GLU N N 89 121.600 122.925 -1.325 1
1 1058 . 10 1 1 A 91 91 GLN H H 90 8.430 7.941 0.489 1
1 1059 . 10 1 1 A 91 91 GLN HA H 90 4.040 3.957 0.083 1
1 1066 . 10 1 1 A 91 91 GLN C C 90 178.900 178.416 0.484 1
1 1067 . 10 1 1 A 91 91 GLN CA C 90 59.100 59.436 -0.336 1
1 1068 . 10 1 1 A 91 91 GLN CB C 90 27.800 28.114 -0.314 1
1 1070 . 10 1 1 A 91 91 GLN N N 90 117.100 119.621 -2.521 1
1 1072 . 10 1 1 A 92 92 GLY H H 91 8.080 8.315 -0.235 1
1 1073 . 10 1 1 A 92 92 GLY HA2 H 91 3.890 3.613 0.277 1
1 1074 . 10 1 1 A 92 92 GLY HA3 H 91 3.890 3.630 0.260 1
1 1075 . 10 1 1 A 92 92 GLY C C 91 176.600 175.722 0.878 1
1 1076 . 10 1 1 A 92 92 GLY CA C 91 46.900 47.396 -0.496 1
1 1077 . 10 1 1 A 92 92 GLY N N 91 109.400 107.279 2.121 1
1 1078 . 10 1 1 A 93 93 LEU H H 92 8.610 8.198 0.412 1
1 1079 . 10 1 1 A 93 93 LEU HA H 92 4.000 4.125 -0.125 1
1 1089 . 10 1 1 A 93 93 LEU C C 92 178.000 178.137 -0.137 1
1 1090 . 10 1 1 A 93 93 LEU CA C 92 57.500 57.417 0.083 1
1 1091 . 10 1 1 A 93 93 LEU CB C 92 41.800 41.419 0.381 1
1 1095 . 10 1 1 A 93 93 LEU N N 92 123.700 122.319 1.381 1
1 1096 . 10 1 1 A 94 94 ILE H H 93 7.970 8.394 -0.424 1
1 1097 . 10 1 1 A 94 94 ILE HA H 93 3.640 3.561 0.079 1
1 1107 . 10 1 1 A 94 94 ILE C C 93 178.500 178.359 0.141 1
1 1108 . 10 1 1 A 94 94 ILE CA C 93 64.800 64.882 -0.082 1
1 1109 . 10 1 1 A 94 94 ILE CB C 93 37.100 37.413 -0.313 1
1 1113 . 10 1 1 A 94 94 ILE N N 93 119.900 119.561 0.339 1
1 1114 . 10 1 1 A 95 95 GLU H H 94 7.610 8.116 -0.506 1
1 1115 . 10 1 1 A 95 95 GLU HA H 94 4.090 4.038 0.052 1
1 1120 . 10 1 1 A 95 95 GLU C C 94 179.400 179.478 -0.078 1
1 1121 . 10 1 1 A 95 95 GLU CA C 94 59.200 59.429 -0.229 1
1 1122 . 10 1 1 A 95 95 GLU CB C 94 28.800 29.252 -0.452 1
1 1124 . 10 1 1 A 95 95 GLU N N 94 118.800 120.601 -1.801 1
1 1125 . 10 1 1 A 96 96 ILE H H 95 7.840 8.074 -0.234 1
1 1126 . 10 1 1 A 96 96 ILE HA H 95 3.520 3.570 -0.050 1
1 1136 . 10 1 1 A 96 96 ILE C C 95 177.500 177.726 -0.226 1
1 1137 . 10 1 1 A 96 96 ILE CA C 95 65.500 65.096 0.404 1
1 1138 . 10 1 1 A 96 96 ILE CB C 95 37.900 37.366 0.534 1
1 1142 . 10 1 1 A 96 96 ILE N N 95 121.600 120.831 0.769 1
1 1143 . 10 1 1 A 97 97 LEU H H 96 8.620 8.522 0.098 1
1 1144 . 10 1 1 A 97 97 LEU HA H 96 3.800 3.950 -0.150 1
1 1151 . 10 1 1 A 97 97 LEU C C 96 179.400 178.602 0.798 1
1 1152 . 10 1 1 A 97 97 LEU CA C 96 58.600 58.448 0.152 1
1 1153 . 10 1 1 A 97 97 LEU CB C 96 41.500 41.633 -0.133 1
1 1156 . 10 1 1 A 97 97 LEU N N 96 120.400 121.231 -0.831 1
1 1157 . 10 1 1 A 98 98 LYS H H 97 7.750 8.108 -0.358 1
1 1158 . 10 1 1 A 98 98 LYS HA H 97 3.990 3.926 0.064 1
1 1167 . 10 1 1 A 98 98 LYS C C 97 178.600 179.572 -0.972 1
1 1168 . 10 1 1 A 98 98 LYS CA C 97 59.400 60.050 -0.650 1
1 1169 . 10 1 1 A 98 98 LYS CB C 97 32.300 32.083 0.217 1
1 1172 . 10 1 1 A 98 98 LYS N N 97 119.000 119.072 -0.072 1
1 1173 . 10 1 1 A 99 99 LYS H H 98 7.710 7.719 -0.009 1
1 1174 . 10 1 1 A 99 99 LYS HA H 98 4.110 4.604 -0.494 1
1 1183 . 10 1 1 A 99 99 LYS C C 98 179.100 179.417 -0.317 1
1 1184 . 10 1 1 A 99 99 LYS CA C 98 59.100 59.439 -0.339 1
1 1185 . 10 1 1 A 99 99 LYS CB C 98 32.500 32.477 0.023 1
1 1189 . 10 1 1 A 99 99 LYS N N 98 119.500 119.759 -0.259 1
1 1190 . 10 1 1 A 100 100 VAL H H 99 8.210 7.929 0.281 1
1 1191 . 10 1 1 A 100 100 VAL HA H 99 3.920 4.196 -0.276 1
1 1196 . 10 1 1 A 100 100 VAL C C 99 177.600 177.667 -0.067 1
1 1197 . 10 1 1 A 100 100 VAL CA C 99 64.200 64.594 -0.394 1
1 1198 . 10 1 1 A 100 100 VAL CB C 99 31.500 31.112 0.388 1
1 1200 . 10 1 1 A 100 100 VAL N N 99 115.800 115.581 0.219 1
1 1201 . 10 1 1 A 101 101 SER H H 100 7.900 7.903 -0.003 1
1 1202 . 10 1 1 A 101 101 SER HA H 100 4.340 4.344 -0.004 1
1 1205 . 10 1 1 A 101 101 SER C C 100 174.600 176.687 -2.087 1
1 1206 . 10 1 1 A 101 101 SER CA C 100 60.400 61.054 -0.654 1
1 1207 . 10 1 1 A 101 101 SER CB C 100 63.600 63.241 0.359 1
1 1208 . 10 1 1 A 101 101 SER N N 100 116.500 118.056 -1.556 1
1 1209 . 10 1 1 A 102 102 GLN H H 101 7.860 7.986 -0.126 1
1 1210 . 10 1 1 A 102 102 GLN HA H 101 4.280 4.093 0.187 1
1 1215 . 10 1 1 A 102 102 GLN C C 101 176.400 177.212 -0.812 1
1 1216 . 10 1 1 A 102 102 GLN CA C 101 56.800 58.431 -1.631 1
1 1217 . 10 1 1 A 102 102 GLN CB C 101 28.900 28.712 0.188 1
1 1219 . 10 1 1 A 102 102 GLN N N 101 120.100 121.440 -1.340 1
1 1220 . 10 1 1 A 103 103 GLN H H 102 8.080 7.699 0.381 1
1 1221 . 10 1 1 A 103 103 GLN HA H 102 4.360 4.595 -0.235 1
1 1226 . 10 1 1 A 103 103 GLN C C 102 176.500 176.775 -0.275 1
1 1227 . 10 1 1 A 103 103 GLN CA C 102 56.700 56.706 -0.006 1
1 1228 . 10 1 1 A 103 103 GLN CB C 102 29.000 30.791 -1.791 1
1 1230 . 10 1 1 A 103 103 GLN N N 102 119.700 113.979 5.721 1
1 1231 . 10 1 1 A 104 104 THR H H 103 8.070 8.024 0.046 1
1 1232 . 10 1 1 A 104 104 THR HA H 103 4.350 4.460 -0.110 1
1 1237 . 10 1 1 A 104 104 THR C C 103 174.700 174.398 0.302 1
1 1238 . 10 1 1 A 104 104 THR CA C 103 62.500 63.184 -0.684 1
1 1239 . 10 1 1 A 104 104 THR CB C 103 69.800 71.083 -1.283 1
1 1241 . 10 1 1 A 104 104 THR N N 103 113.900 110.173 3.727 1
1 1242 . 10 1 1 A 105 105 GLU H H 104 8.290 7.773 0.517 1
1 1243 . 10 1 1 A 105 105 GLU HA H 104 4.350 5.031 -0.681 1
1 1248 . 10 1 1 A 105 105 GLU C C 104 176.300 173.737 2.563 1
1 1249 . 10 1 1 A 105 105 GLU CA C 104 56.700 55.374 1.326 1
1 1250 . 10 1 1 A 105 105 GLU CB C 104 29.900 32.793 -2.893 1
1 1252 . 10 1 1 A 105 105 GLU N N 104 122.900 114.730 8.170 1
1 1253 . 10 1 1 A 106 106 LYS H H 105 8.320 8.640 -0.320 1
1 1254 . 10 1 1 A 106 106 LYS HA H 105 4.390 5.009 -0.619 1
1 1263 . 10 1 1 A 106 106 LYS C C 105 176.800 175.012 1.788 1
1 1264 . 10 1 1 A 106 106 LYS CA C 105 56.700 55.436 1.264 1
1 1265 . 10 1 1 A 106 106 LYS CB C 105 32.800 36.062 -3.262 1
1 1269 . 10 1 1 A 106 106 LYS N N 105 121.900 120.803 1.097 1
1 1270 . 10 1 1 A 107 107 THR H H 106 8.150 8.734 -0.584 1
1 1271 . 10 1 1 A 107 107 THR HA H 106 4.430 4.561 -0.131 1
1 1276 . 10 1 1 A 107 107 THR C C 106 174.600 173.471 1.129 1
1 1277 . 10 1 1 A 107 107 THR CA C 106 62.000 62.130 -0.130 1
1 1278 . 10 1 1 A 107 107 THR CB C 106 70.000 69.125 0.875 1
1 1280 . 10 1 1 A 107 107 THR N N 106 115.000 118.334 -3.334 1
1 1281 . 10 1 1 A 108 108 THR H H 107 8.190 8.380 -0.190 1
1 1282 . 10 1 1 A 108 108 THR HA H 107 4.440 4.596 -0.156 1
1 1287 . 10 1 1 A 108 108 THR C C 107 174.500 175.620 -1.120 1
1 1288 . 10 1 1 A 108 108 THR CA C 107 62.000 61.632 0.368 1
1 1289 . 10 1 1 A 108 108 THR CB C 107 69.800 71.405 -1.605 1
1 1291 . 10 1 1 A 108 108 THR N N 107 116.500 121.157 -4.657 1
1 1292 . 10 1 1 A 109 109 THR H H 108 8.170 7.550 0.620 1
1 1293 . 10 1 1 A 109 109 THR HA H 108 4.350 4.075 0.275 1
1 1298 . 10 1 1 A 109 109 THR C C 108 174.200 174.497 -0.297 1
1 1299 . 10 1 1 A 109 109 THR CA C 108 62.000 64.924 -2.924 1
1 1300 . 10 1 1 A 109 109 THR CB C 108 69.800 69.435 0.365 1
1 1302 . 10 1 1 A 109 109 THR N N 108 117.200 114.944 2.256 1
1 1303 . 10 1 1 A 110 110 VAL H H 109 8.100 7.841 0.259 1
1 1304 . 10 1 1 A 110 110 VAL HA H 109 4.040 4.397 -0.357 1
1 1312 . 10 1 1 A 110 110 VAL C C 109 175.200 175.286 -0.086 1
1 1313 . 10 1 1 A 110 110 VAL CA C 109 62.300 61.233 1.067 1
1 1314 . 10 1 1 A 110 110 VAL CB C 109 32.600 31.905 0.695 1
1 1316 . 10 1 1 A 110 110 VAL N N 109 123.100 120.211 2.889 1
1 1317 . 10 1 1 A 111 111 LYS H H 110 8.200 8.704 -0.504 1
1 1318 . 10 1 1 A 111 111 LYS HA H 110 4.310 4.425 -0.115 1
1 1327 . 10 1 1 A 111 111 LYS C C 110 175.700 177.127 -1.427 1
1 1328 . 10 1 1 A 111 111 LYS CA C 110 55.700 56.013 -0.313 1
1 1329 . 10 1 1 A 111 111 LYS CB C 110 33.300 34.040 -0.740 1
1 1333 . 10 1 1 A 111 111 LYS N N 110 125.200 128.375 -3.175 1
1 1334 . 10 1 1 A 112 112 PHE H H 111 8.310 8.304 0.006 1
1 1335 . 10 1 1 A 112 112 PHE HA H 111 4.650 4.137 0.513 1
1 1338 . 10 1 1 A 112 112 PHE C C 111 174.500 175.229 -0.729 1
1 1339 . 10 1 1 A 112 112 PHE CA C 111 57.500 59.111 -1.611 1
1 1340 . 10 1 1 A 112 112 PHE CB C 111 39.700 38.410 1.290 1
1 1341 . 10 1 1 A 112 112 PHE N N 111 122.100 118.388 3.712 1
1 1 . 11 1 1 A 2 2 SER H H 1 8.780 9.046 -0.266 1
1 2 . 11 1 1 A 2 2 SER HA H 1 4.480 4.573 -0.093 1
1 5 . 11 1 1 A 2 2 SER C C 1 175.000 174.226 0.774 1
1 6 . 11 1 1 A 2 2 SER CA C 1 59.100 57.766 1.334 1
1 7 . 11 1 1 A 2 2 SER CB C 1 63.900 61.019 2.881 1
1 8 . 11 1 1 A 2 2 SER N N 1 116.600 121.193 -4.593 1
1 9 . 11 1 1 A 3 3 ALA H H 2 8.710 8.346 0.364 1
1 10 . 11 1 1 A 3 3 ALA HA H 2 4.310 4.096 0.214 1
1 14 . 11 1 1 A 3 3 ALA C C 2 178.800 178.908 -0.108 1
1 15 . 11 1 1 A 3 3 ALA CA C 2 53.800 54.962 -1.162 1
1 16 . 11 1 1 A 3 3 ALA CB C 2 18.500 18.860 -0.360 1
1 17 . 11 1 1 A 3 3 ALA N N 2 125.500 128.494 -2.994 1
1 18 . 11 1 1 A 4 4 ASP H H 3 8.190 8.299 -0.109 1
1 19 . 11 1 1 A 4 4 ASP HA H 3 4.500 4.317 0.183 1
1 22 . 11 1 1 A 4 4 ASP C C 3 177.700 178.480 -0.780 1
1 23 . 11 1 1 A 4 4 ASP CA C 3 55.900 57.133 -1.233 1
1 24 . 11 1 1 A 4 4 ASP CB C 3 40.500 41.004 -0.504 1
1 25 . 11 1 1 A 4 4 ASP N N 3 117.800 118.423 -0.623 1
1 26 . 11 1 1 A 5 5 GLU H H 4 8.150 8.277 -0.127 1
1 27 . 11 1 1 A 5 5 GLU HA H 4 4.140 4.093 0.047 1
1 32 . 11 1 1 A 5 5 GLU C C 4 178.600 179.346 -0.746 1
1 33 . 11 1 1 A 5 5 GLU CA C 4 58.600 59.167 -0.567 1
1 34 . 11 1 1 A 5 5 GLU CB C 4 29.100 29.394 -0.294 1
1 36 . 11 1 1 A 5 5 GLU N N 4 120.800 119.027 1.773 1
1 37 . 11 1 1 A 6 6 GLU H H 5 8.250 7.976 0.274 1
1 38 . 11 1 1 A 6 6 GLU HA H 5 4.200 4.092 0.108 1
1 43 . 11 1 1 A 6 6 GLU C C 5 178.300 179.147 -0.847 1
1 44 . 11 1 1 A 6 6 GLU CA C 5 58.600 59.336 -0.736 1
1 45 . 11 1 1 A 6 6 GLU CB C 5 28.800 29.152 -0.352 1
1 47 . 11 1 1 A 6 6 GLU N N 5 120.800 120.170 0.630 1
1 48 . 11 1 1 A 7 7 LEU H H 6 7.990 7.760 0.230 1
1 49 . 11 1 1 A 7 7 LEU HA H 6 4.170 3.982 0.188 1
1 58 . 11 1 1 A 7 7 LEU C C 6 179.500 178.735 0.765 1
1 59 . 11 1 1 A 7 7 LEU CA C 6 57.500 58.126 -0.626 1
1 60 . 11 1 1 A 7 7 LEU CB C 6 41.600 41.838 -0.238 1
1 64 . 11 1 1 A 7 7 LEU N N 6 120.900 122.735 -1.835 1
1 65 . 11 1 1 A 8 8 GLU H H 7 8.130 8.651 -0.521 1
1 66 . 11 1 1 A 8 8 GLU HA H 7 4.160 3.968 0.192 1
1 71 . 11 1 1 A 8 8 GLU C C 7 178.300 178.835 -0.535 1
1 72 . 11 1 1 A 8 8 GLU CA C 7 58.800 59.240 -0.440 1
1 73 . 11 1 1 A 8 8 GLU CB C 7 28.800 29.493 -0.693 1
1 75 . 11 1 1 A 8 8 GLU N N 7 120.100 118.094 2.006 1
1 76 . 11 1 1 A 9 9 ALA H H 8 8.030 7.926 0.104 1
1 77 . 11 1 1 A 9 9 ALA HA H 8 4.090 4.131 -0.041 1
1 81 . 11 1 1 A 9 9 ALA C C 8 180.500 179.570 0.930 1
1 82 . 11 1 1 A 9 9 ALA CA C 8 55.100 55.167 -0.067 1
1 83 . 11 1 1 A 9 9 ALA CB C 8 17.900 18.521 -0.621 1
1 84 . 11 1 1 A 9 9 ALA N N 8 122.100 122.264 -0.164 1
1 85 . 11 1 1 A 10 10 LEU H H 9 7.890 7.947 -0.057 1
1 86 . 11 1 1 A 10 10 LEU HA H 9 4.160 4.076 0.084 1
1 95 . 11 1 1 A 10 10 LEU C C 9 179.200 178.353 0.847 1
1 96 . 11 1 1 A 10 10 LEU CA C 9 57.500 57.498 0.002 1
1 97 . 11 1 1 A 10 10 LEU CB C 9 41.800 41.794 0.006 1
1 101 . 11 1 1 A 10 10 LEU N N 9 119.500 118.919 0.581 1
1 102 . 11 1 1 A 11 11 ARG H H 10 8.080 8.274 -0.194 1
1 103 . 11 1 1 A 11 11 ARG HA H 10 4.010 3.838 0.172 1
1 110 . 11 1 1 A 11 11 ARG C C 10 178.900 178.940 -0.040 1
1 111 . 11 1 1 A 11 11 ARG CA C 10 59.400 59.835 -0.435 1
1 112 . 11 1 1 A 11 11 ARG CB C 10 30.100 29.901 0.199 1
1 115 . 11 1 1 A 11 11 ARG N N 10 120.400 119.026 1.374 1
1 116 . 11 1 1 A 12 12 ARG H H 11 8.170 8.225 -0.055 1
1 117 . 11 1 1 A 12 12 ARG HA H 11 4.040 4.158 -0.118 1
1 124 . 11 1 1 A 12 12 ARG C C 11 178.900 178.749 0.151 1
1 125 . 11 1 1 A 12 12 ARG CA C 11 59.300 59.100 0.200 1
1 126 . 11 1 1 A 12 12 ARG CB C 11 30.000 29.837 0.163 1
1 129 . 11 1 1 A 12 12 ARG N N 11 118.400 118.881 -0.481 1
1 130 . 11 1 1 A 13 13 GLN H H 12 8.060 8.418 -0.358 1
1 131 . 11 1 1 A 13 13 GLN HA H 12 4.150 4.002 0.148 1
1 136 . 11 1 1 A 13 13 GLN C C 12 177.900 178.373 -0.473 1
1 137 . 11 1 1 A 13 13 GLN CA C 12 58.600 59.261 -0.661 1
1 138 . 11 1 1 A 13 13 GLN CB C 12 28.500 28.271 0.229 1
1 140 . 11 1 1 A 13 13 GLN N N 12 120.400 119.248 1.152 1
1 141 . 11 1 1 A 14 14 ARG H H 13 8.180 7.901 0.279 1
1 142 . 11 1 1 A 14 14 ARG HA H 13 4.160 4.150 0.010 1
1 149 . 11 1 1 A 14 14 ARG C C 13 178.600 178.546 0.054 1
1 150 . 11 1 1 A 14 14 ARG CA C 13 58.600 58.517 0.083 1
1 151 . 11 1 1 A 14 14 ARG CB C 13 29.900 29.956 -0.056 1
1 154 . 11 1 1 A 14 14 ARG N N 13 119.900 119.738 0.162 1
1 155 . 11 1 1 A 15 15 LEU H H 14 7.980 8.259 -0.279 1
1 156 . 11 1 1 A 15 15 LEU HA H 14 4.180 4.061 0.119 1
1 165 . 11 1 1 A 15 15 LEU C C 14 178.800 178.629 0.171 1
1 166 . 11 1 1 A 15 15 LEU CA C 14 57.300 57.563 -0.263 1
1 167 . 11 1 1 A 15 15 LEU CB C 14 41.700 41.413 0.287 1
1 171 . 11 1 1 A 15 15 LEU N N 14 119.900 121.069 -1.169 1
1 172 . 11 1 1 A 16 16 ALA H H 15 7.930 8.231 -0.301 1
1 173 . 11 1 1 A 16 16 ALA HA H 15 4.190 4.075 0.115 1
1 177 . 11 1 1 A 16 16 ALA C C 15 180.100 178.914 1.186 1
1 178 . 11 1 1 A 16 16 ALA CA C 15 54.500 54.801 -0.301 1
1 179 . 11 1 1 A 16 16 ALA CB C 15 18.000 17.953 0.047 1
1 180 . 11 1 1 A 16 16 ALA N N 15 122.000 120.800 1.200 1
1 181 . 11 1 1 A 17 17 GLU H H 16 8.010 7.462 0.548 1
1 182 . 11 1 1 A 17 17 GLU HA H 16 4.160 4.165 -0.005 1
1 187 . 11 1 1 A 17 17 GLU C C 16 178.100 179.001 -0.901 1
1 188 . 11 1 1 A 17 17 GLU CA C 16 58.100 58.403 -0.303 1
1 189 . 11 1 1 A 17 17 GLU CB C 16 28.900 29.300 -0.400 1
1 191 . 11 1 1 A 17 17 GLU N N 16 118.500 118.065 0.435 1
1 192 . 11 1 1 A 18 18 LEU H H 17 7.890 7.473 0.417 1
1 193 . 11 1 1 A 18 18 LEU HA H 17 4.200 4.107 0.093 1
1 203 . 11 1 1 A 18 18 LEU C C 17 178.700 176.755 1.945 1
1 204 . 11 1 1 A 18 18 LEU CA C 17 56.900 57.486 -0.586 1
1 205 . 11 1 1 A 18 18 LEU CB C 17 42.100 41.739 0.361 1
1 209 . 11 1 1 A 18 18 LEU N N 17 120.400 122.235 -1.835 1
1 210 . 11 1 1 A 19 19 GLN H H 18 8.020 8.652 -0.632 1
1 211 . 11 1 1 A 19 19 GLN HA H 18 4.200 4.293 -0.093 1
1 216 . 11 1 1 A 19 19 GLN C C 18 176.700 175.478 1.222 1
1 217 . 11 1 1 A 19 19 GLN CA C 18 56.900 58.117 -1.217 1
1 218 . 11 1 1 A 19 19 GLN CB C 18 28.800 28.391 0.409 1
1 220 . 11 1 1 A 19 19 GLN N N 18 118.500 119.110 -0.610 1
1 221 . 11 1 1 A 20 20 ALA H H 19 7.850 8.360 -0.510 1
1 222 . 11 1 1 A 20 20 ALA HA H 19 4.240 4.372 -0.132 1
1 226 . 11 1 1 A 20 20 ALA C C 19 178.000 176.626 1.374 1
1 227 . 11 1 1 A 20 20 ALA CA C 19 53.100 51.327 1.773 1
1 228 . 11 1 1 A 20 20 ALA CB C 19 18.700 17.521 1.179 1
1 229 . 11 1 1 A 20 20 ALA N N 19 122.700 121.607 1.093 1
1 230 . 11 1 1 A 21 21 LYS H H 20 7.950 8.647 -0.697 1
1 231 . 11 1 1 A 21 21 LYS HA H 20 4.260 4.476 -0.216 1
1 238 . 11 1 1 A 21 21 LYS C C 20 176.600 175.544 1.056 1
1 239 . 11 1 1 A 21 21 LYS CA C 20 56.500 55.392 1.108 1
1 240 . 11 1 1 A 21 21 LYS CB C 20 32.600 32.312 0.288 1
1 244 . 11 1 1 A 21 21 LYS N N 20 118.800 125.347 -6.547 1
1 245 . 11 1 1 A 22 22 HIS H H 21 8.320 8.174 0.146 1
1 246 . 11 1 1 A 22 22 HIS HA H 21 4.730 4.843 -0.113 1
1 249 . 11 1 1 A 22 22 HIS C C 21 174.800 174.952 -0.152 1
1 250 . 11 1 1 A 22 22 HIS CA C 21 55.400 55.192 0.208 1
1 251 . 11 1 1 A 22 22 HIS CB C 21 28.800 29.107 -0.307 1
1 252 . 11 1 1 A 22 22 HIS N N 21 118.600 122.633 -4.033 1
1 253 . 11 1 1 A 23 23 GLY H H 22 8.360 8.322 0.038 1
1 254 . 11 1 1 A 23 23 GLY HA2 H 22 3.960 4.052 -0.092 1
1 255 . 11 1 1 A 23 23 GLY HA3 H 22 3.960 4.087 -0.127 1
1 256 . 11 1 1 A 23 23 GLY C C 22 173.200 171.846 1.354 1
1 257 . 11 1 1 A 23 23 GLY CA C 22 45.000 45.318 -0.318 1
1 258 . 11 1 1 A 23 23 GLY N N 22 109.600 109.678 -0.078 1
1 259 . 11 1 1 A 24 24 ASP H H 23 8.320 9.071 -0.751 1
1 260 . 11 1 1 A 24 24 ASP HA H 23 4.940 5.326 -0.386 1
1 263 . 11 1 1 A 24 24 ASP C C 23 174.900 175.775 -0.875 1
1 264 . 11 1 1 A 24 24 ASP CA C 23 52.200 51.209 0.991 1
1 265 . 11 1 1 A 24 24 ASP CB C 23 41.300 43.697 -2.397 1
1 266 . 11 1 1 A 24 24 ASP N N 23 121.600 123.542 -1.942 1
1 267 . 11 1 1 A 25 25 PRO HA H 24 4.430 4.504 -0.074 1
1 274 . 11 1 1 A 25 25 PRO C C 24 177.800 176.758 1.042 1
1 275 . 11 1 1 A 25 25 PRO CA C 24 64.100 63.844 0.256 1
1 276 . 11 1 1 A 25 25 PRO CB C 24 31.900 32.483 -0.583 1
1 279 . 11 1 1 A 26 26 GLY H H 25 8.520 8.121 0.399 1
1 280 . 11 1 1 A 26 26 GLY HA2 H 25 3.940 3.879 0.061 1
1 281 . 11 1 1 A 26 26 GLY HA3 H 25 3.940 3.879 0.061 1
1 282 . 11 1 1 A 26 26 GLY C C 25 174.400 175.487 -1.087 1
1 283 . 11 1 1 A 26 26 GLY CA C 25 45.500 46.493 -0.993 1
1 284 . 11 1 1 A 26 26 GLY N N 25 108.300 107.360 0.940 1
1 285 . 11 1 1 A 27 27 ASP H H 26 8.100 8.689 -0.589 1
1 286 . 11 1 1 A 27 27 ASP HA H 26 4.610 4.378 0.232 1
1 289 . 11 1 1 A 27 27 ASP C C 26 176.900 178.435 -1.535 1
1 290 . 11 1 1 A 27 27 ASP CA C 26 54.800 57.369 -2.569 1
1 291 . 11 1 1 A 27 27 ASP CB C 26 40.800 41.244 -0.444 1
1 292 . 11 1 1 A 27 27 ASP N N 26 120.700 122.102 -1.402 1
1 293 . 11 1 1 A 28 28 ALA H H 27 8.320 7.831 0.489 1
1 294 . 11 1 1 A 28 28 ALA HA H 27 4.180 3.987 0.193 1
1 298 . 11 1 1 A 28 28 ALA C C 27 179.300 179.909 -0.609 1
1 299 . 11 1 1 A 28 28 ALA CA C 27 54.600 54.777 -0.177 1
1 300 . 11 1 1 A 28 28 ALA CB C 27 18.400 18.144 0.256 1
1 301 . 11 1 1 A 28 28 ALA N N 27 124.100 121.397 2.703 1
1 302 . 11 1 1 A 29 29 ALA H H 28 8.250 7.722 0.528 1
1 303 . 11 1 1 A 29 29 ALA HA H 28 4.230 4.076 0.154 1
1 307 . 11 1 1 A 29 29 ALA C C 28 180.000 179.624 0.376 1
1 308 . 11 1 1 A 29 29 ALA CA C 28 54.300 55.047 -0.747 1
1 309 . 11 1 1 A 29 29 ALA CB C 28 18.200 18.167 0.033 1
1 310 . 11 1 1 A 29 29 ALA N N 28 121.200 119.788 1.412 1
1 311 . 11 1 1 A 30 30 GLN H H 29 8.120 7.741 0.379 1
1 312 . 11 1 1 A 30 30 GLN HA H 29 4.230 4.043 0.187 1
1 317 . 11 1 1 A 30 30 GLN C C 29 177.900 178.942 -1.042 1
1 318 . 11 1 1 A 30 30 GLN CA C 29 57.800 58.838 -1.038 1
1 319 . 11 1 1 A 30 30 GLN CB C 29 28.600 28.494 0.106 1
1 321 . 11 1 1 A 30 30 GLN N N 29 118.800 117.937 0.863 1
1 322 . 11 1 1 A 31 31 GLN H H 30 8.240 8.515 -0.275 1
1 323 . 11 1 1 A 31 31 GLN HA H 30 4.120 4.040 0.080 1
1 328 . 11 1 1 A 31 31 GLN C C 30 178.100 179.020 -0.920 1
1 329 . 11 1 1 A 31 31 GLN CA C 30 58.000 59.102 -1.102 1
1 330 . 11 1 1 A 31 31 GLN CB C 30 28.500 28.525 -0.025 1
1 332 . 11 1 1 A 31 31 GLN N N 30 119.600 118.581 1.019 1
1 333 . 11 1 1 A 32 32 GLU H H 31 8.300 7.892 0.408 1
1 334 . 11 1 1 A 32 32 GLU HA H 31 4.190 3.970 0.220 1
1 339 . 11 1 1 A 32 32 GLU C C 31 178.100 178.823 -0.723 1
1 340 . 11 1 1 A 32 32 GLU CA C 31 58.600 58.864 -0.264 1
1 341 . 11 1 1 A 32 32 GLU CB C 31 28.800 29.241 -0.441 1
1 343 . 11 1 1 A 32 32 GLU N N 31 120.800 119.729 1.071 1
1 344 . 11 1 1 A 33 33 ALA H H 32 8.070 7.779 0.291 1
1 345 . 11 1 1 A 33 33 ALA HA H 32 4.160 4.170 -0.010 1
1 349 . 11 1 1 A 33 33 ALA C C 32 179.900 179.618 0.282 1
1 350 . 11 1 1 A 33 33 ALA CA C 32 54.900 54.973 -0.073 1
1 351 . 11 1 1 A 33 33 ALA CB C 32 18.200 18.351 -0.151 1
1 352 . 11 1 1 A 33 33 ALA N N 32 123.000 123.154 -0.154 1
1 353 . 11 1 1 A 34 34 LYS H H 33 8.050 7.851 0.199 1
1 354 . 11 1 1 A 34 34 LYS HA H 33 4.150 4.051 0.099 1
1 363 . 11 1 1 A 34 34 LYS C C 33 178.900 178.579 0.321 1
1 364 . 11 1 1 A 34 34 LYS CA C 33 58.600 59.179 -0.579 1
1 365 . 11 1 1 A 34 34 LYS CB C 33 32.300 32.059 0.241 1
1 369 . 11 1 1 A 34 34 LYS N N 33 118.600 119.688 -1.088 1
1 370 . 11 1 1 A 35 35 HIS H H 34 8.240 8.665 -0.425 1
1 371 . 11 1 1 A 35 35 HIS HA H 34 4.580 4.182 0.398 1
1 374 . 11 1 1 A 35 35 HIS C C 34 176.300 177.652 -1.352 1
1 375 . 11 1 1 A 35 35 HIS CA C 34 57.800 60.100 -2.300 1
1 376 . 11 1 1 A 35 35 HIS CB C 34 28.300 29.922 -1.622 1
1 377 . 11 1 1 A 35 35 HIS N N 34 119.100 119.375 -0.275 1
1 378 . 11 1 1 A 36 36 ARG H H 35 8.390 8.251 0.139 1
1 379 . 11 1 1 A 36 36 ARG HA H 35 4.160 4.063 0.097 1
1 386 . 11 1 1 A 36 36 ARG C C 35 178.500 179.046 -0.546 1
1 387 . 11 1 1 A 36 36 ARG CA C 35 58.800 58.773 0.027 1
1 388 . 11 1 1 A 36 36 ARG CB C 35 29.200 29.395 -0.195 1
1 391 . 11 1 1 A 36 36 ARG N N 35 120.600 118.344 2.256 1
1 392 . 11 1 1 A 37 37 GLU H H 36 8.240 8.296 -0.056 1
1 393 . 11 1 1 A 37 37 GLU HA H 36 4.080 4.011 0.069 1
1 398 . 11 1 1 A 37 37 GLU C C 36 178.200 178.937 -0.737 1
1 399 . 11 1 1 A 37 37 GLU CA C 36 59.100 59.331 -0.231 1
1 400 . 11 1 1 A 37 37 GLU CB C 36 29.100 29.752 -0.652 1
1 402 . 11 1 1 A 37 37 GLU N N 36 120.400 120.179 0.221 1
1 403 . 11 1 1 A 38 38 ALA H H 37 7.980 8.265 -0.285 1
1 404 . 11 1 1 A 38 38 ALA HA H 37 4.100 3.992 0.108 1
1 408 . 11 1 1 A 38 38 ALA C C 37 179.800 179.708 0.092 1
1 409 . 11 1 1 A 38 38 ALA CA C 37 55.100 55.377 -0.277 1
1 410 . 11 1 1 A 38 38 ALA CB C 37 18.000 18.308 -0.308 1
1 411 . 11 1 1 A 38 38 ALA N N 37 122.000 122.526 -0.526 1
1 412 . 11 1 1 A 39 39 GLU H H 38 8.050 8.194 -0.144 1
1 413 . 11 1 1 A 39 39 GLU HA H 38 4.120 3.967 0.153 1
1 418 . 11 1 1 A 39 39 GLU C C 38 179.000 178.658 0.342 1
1 419 . 11 1 1 A 39 39 GLU CA C 38 58.800 59.660 -0.860 1
1 420 . 11 1 1 A 39 39 GLU CB C 38 29.100 29.235 -0.135 1
1 422 . 11 1 1 A 39 39 GLU N N 38 118.200 118.218 -0.018 1
1 423 . 11 1 1 A 40 40 MET H H 39 8.130 8.209 -0.079 1
1 424 . 11 1 1 A 40 40 MET HA H 39 4.200 3.998 0.202 1
1 429 . 11 1 1 A 40 40 MET C C 39 178.200 178.146 0.054 1
1 430 . 11 1 1 A 40 40 MET CA C 39 58.100 58.663 -0.563 1
1 431 . 11 1 1 A 40 40 MET CB C 39 32.300 31.819 0.481 1
1 433 . 11 1 1 A 40 40 MET N N 39 120.300 119.810 0.490 1
1 434 . 11 1 1 A 41 41 ARG HA H 40 3.890 4.131 -0.241 1
1 441 . 11 1 1 A 41 41 ARG C C 40 177.700 178.633 -0.933 1
1 442 . 11 1 1 A 41 41 ARG CA C 40 59.500 59.441 0.059 1
1 443 . 11 1 1 A 41 41 ARG CB C 40 30.300 30.200 0.100 1
1 444 . 11 1 1 A 42 42 ASN H H 41 8.190 8.492 -0.302 1
1 445 . 11 1 1 A 42 42 ASN HA H 41 4.440 4.438 0.002 1
1 450 . 11 1 1 A 42 42 ASN C C 41 177.700 177.706 -0.006 1
1 451 . 11 1 1 A 42 42 ASN CA C 41 55.900 56.803 -0.903 1
1 452 . 11 1 1 A 42 42 ASN CB C 41 38.100 39.564 -1.464 1
1 453 . 11 1 1 A 42 42 ASN N N 41 116.300 118.677 -2.377 1
1 455 . 11 1 1 A 43 43 SER H H 42 8.130 8.219 -0.089 1
1 456 . 11 1 1 A 43 43 SER HA H 42 4.300 4.160 0.140 1
1 459 . 11 1 1 A 43 43 SER C C 42 176.600 176.712 -0.112 1
1 460 . 11 1 1 A 43 43 SER CA C 42 61.200 62.449 -1.249 1
1 461 . 11 1 1 A 43 43 SER CB C 42 63.100 62.973 0.127 1
1 462 . 11 1 1 A 43 43 SER N N 42 116.300 116.056 0.244 1
1 463 . 11 1 1 A 44 44 ILE H H 43 7.940 7.480 0.460 1
1 464 . 11 1 1 A 44 44 ILE HA H 43 3.860 3.809 0.051 1
1 474 . 11 1 1 A 44 44 ILE C C 43 178.400 178.195 0.205 1
1 475 . 11 1 1 A 44 44 ILE CA C 43 64.500 64.432 0.068 1
1 476 . 11 1 1 A 44 44 ILE CB C 43 37.900 37.482 0.418 1
1 480 . 11 1 1 A 44 44 ILE N N 43 122.500 119.384 3.116 1
1 481 . 11 1 1 A 45 45 LEU H H 44 8.070 8.192 -0.122 1
1 482 . 11 1 1 A 45 45 LEU HA H 44 3.940 3.931 0.009 1
1 492 . 11 1 1 A 45 45 LEU C C 44 178.200 179.319 -1.119 1
1 493 . 11 1 1 A 45 45 LEU CA C 44 58.100 57.901 0.199 1
1 494 . 11 1 1 A 45 45 LEU CB C 44 41.100 41.209 -0.109 1
1 498 . 11 1 1 A 45 45 LEU N N 44 119.100 122.108 -3.008 1
1 499 . 11 1 1 A 46 46 ALA H H 45 7.760 8.256 -0.496 1
1 500 . 11 1 1 A 46 46 ALA HA H 45 4.100 4.071 0.029 1
1 504 . 11 1 1 A 46 46 ALA C C 45 178.700 178.321 0.379 1
1 505 . 11 1 1 A 46 46 ALA CA C 45 54.100 54.622 -0.522 1
1 506 . 11 1 1 A 46 46 ALA CB C 45 18.100 18.127 -0.027 1
1 507 . 11 1 1 A 46 46 ALA N N 45 117.600 121.673 -4.073 1
1 508 . 11 1 1 A 47 47 GLN H H 46 7.570 7.185 0.385 1
1 509 . 11 1 1 A 47 47 GLN HA H 46 4.270 4.253 0.017 1
1 514 . 11 1 1 A 47 47 GLN C C 46 177.800 177.654 0.146 1
1 515 . 11 1 1 A 47 47 GLN CA C 46 57.300 58.075 -0.775 1
1 516 . 11 1 1 A 47 47 GLN CB C 46 29.500 28.919 0.581 1
1 518 . 11 1 1 A 47 47 GLN N N 46 114.300 116.504 -2.204 1
1 519 . 11 1 1 A 48 48 VAL H H 47 7.690 7.216 0.474 1
1 520 . 11 1 1 A 48 48 VAL HA H 47 4.380 4.111 0.269 1
1 528 . 11 1 1 A 48 48 VAL C C 47 174.400 175.827 -1.427 1
1 529 . 11 1 1 A 48 48 VAL CA C 47 62.600 64.468 -1.868 1
1 530 . 11 1 1 A 48 48 VAL CB C 47 32.800 32.231 0.569 1
1 533 . 11 1 1 A 48 48 VAL N N 47 111.900 111.932 -0.032 1
1 534 . 11 1 1 A 49 49 LEU H H 48 7.480 7.844 -0.364 1
1 535 . 11 1 1 A 49 49 LEU HA H 48 4.910 4.717 0.193 1
1 545 . 11 1 1 A 49 49 LEU C C 48 177.000 175.926 1.074 1
1 546 . 11 1 1 A 49 49 LEU CA C 48 53.700 53.324 0.376 1
1 547 . 11 1 1 A 49 49 LEU CB C 48 44.500 42.947 1.553 1
1 551 . 11 1 1 A 49 49 LEU N N 48 119.600 121.124 -1.524 1
1 552 . 11 1 1 A 50 50 ASP H H 49 8.430 8.467 -0.037 1
1 553 . 11 1 1 A 50 50 ASP HA H 49 4.630 4.758 -0.128 1
1 556 . 11 1 1 A 50 50 ASP C C 49 176.000 177.076 -1.076 1
1 557 . 11 1 1 A 50 50 ASP CA C 49 53.000 52.880 0.120 1
1 558 . 11 1 1 A 50 50 ASP CB C 49 40.200 42.509 -2.309 1
1 559 . 11 1 1 A 50 50 ASP N N 49 121.200 125.256 -4.056 1
1 560 . 11 1 1 A 51 51 GLN H H 50 8.580 8.844 -0.264 1
1 561 . 11 1 1 A 51 51 GLN HA H 50 3.950 3.924 0.026 1
1 566 . 11 1 1 A 51 51 GLN C C 50 178.800 177.521 1.279 1
1 567 . 11 1 1 A 51 51 GLN CA C 50 60.200 59.086 1.114 1
1 568 . 11 1 1 A 51 51 GLN CB C 50 28.300 28.341 -0.041 1
1 570 . 11 1 1 A 51 51 GLN N N 50 118.200 125.082 -6.882 1
1 571 . 11 1 1 A 52 52 SER H H 51 8.430 8.021 0.409 1
1 572 . 11 1 1 A 52 52 SER HA H 51 4.320 4.223 0.097 1
1 575 . 11 1 1 A 52 52 SER C C 51 177.200 176.754 0.446 1
1 576 . 11 1 1 A 52 52 SER CA C 51 61.500 61.485 0.015 1
1 577 . 11 1 1 A 52 52 SER CB C 51 62.400 63.231 -0.831 1
1 578 . 11 1 1 A 52 52 SER N N 51 117.000 116.899 0.101 1
1 579 . 11 1 1 A 53 53 ALA H H 52 8.760 8.161 0.599 1
1 580 . 11 1 1 A 53 53 ALA HA H 52 3.960 4.044 -0.084 1
1 584 . 11 1 1 A 53 53 ALA C C 52 178.900 179.185 -0.285 1
1 585 . 11 1 1 A 53 53 ALA CA C 52 55.400 54.973 0.427 1
1 586 . 11 1 1 A 53 53 ALA CB C 52 19.200 18.309 0.891 1
1 587 . 11 1 1 A 53 53 ALA N N 52 127.400 123.300 4.100 1
1 588 . 11 1 1 A 54 54 ARG H H 53 8.640 8.267 0.373 1
1 589 . 11 1 1 A 54 54 ARG HA H 53 3.880 3.964 -0.084 1
1 596 . 11 1 1 A 54 54 ARG C C 53 179.000 178.839 0.161 1
1 597 . 11 1 1 A 54 54 ARG CA C 53 59.700 59.509 0.191 1
1 598 . 11 1 1 A 54 54 ARG CB C 53 29.900 30.023 -0.123 1
1 601 . 11 1 1 A 54 54 ARG N N 53 118.200 117.710 0.490 1
1 602 . 11 1 1 A 55 55 ALA H H 54 7.960 8.127 -0.167 1
1 603 . 11 1 1 A 55 55 ALA HA H 54 4.190 4.025 0.165 1
1 607 . 11 1 1 A 55 55 ALA C C 54 180.100 179.413 0.687 1
1 608 . 11 1 1 A 55 55 ALA CA C 54 55.100 55.227 -0.127 1
1 609 . 11 1 1 A 55 55 ALA CB C 54 17.700 18.095 -0.395 1
1 610 . 11 1 1 A 55 55 ALA N N 54 122.200 121.904 0.296 1
1 611 . 11 1 1 A 56 56 ARG H H 55 7.800 8.066 -0.266 1
1 612 . 11 1 1 A 56 56 ARG HA H 55 4.160 4.121 0.039 1
1 619 . 11 1 1 A 56 56 ARG C C 55 178.900 178.290 0.610 1
1 620 . 11 1 1 A 56 56 ARG CA C 55 58.300 58.617 -0.317 1
1 621 . 11 1 1 A 56 56 ARG CB C 55 29.100 29.788 -0.688 1
1 624 . 11 1 1 A 56 56 ARG N N 55 119.100 119.048 0.052 1
1 625 . 11 1 1 A 57 57 LEU H H 56 8.390 8.120 0.270 1
1 626 . 11 1 1 A 57 57 LEU HA H 56 4.060 4.057 0.003 1
1 635 . 11 1 1 A 57 57 LEU C C 56 178.100 178.949 -0.849 1
1 636 . 11 1 1 A 57 57 LEU CA C 56 57.800 58.097 -0.297 1
1 637 . 11 1 1 A 57 57 LEU CB C 56 41.600 41.423 0.177 1
1 641 . 11 1 1 A 57 57 LEU N N 56 120.600 121.655 -1.055 1
1 642 . 11 1 1 A 58 58 SER H H 57 8.150 7.914 0.236 1
1 643 . 11 1 1 A 58 58 SER HA H 57 4.210 4.061 0.149 1
1 646 . 11 1 1 A 58 58 SER C C 57 176.500 176.104 0.396 1
1 647 . 11 1 1 A 58 58 SER CA C 57 61.800 62.125 -0.325 1
1 648 . 11 1 1 A 58 58 SER CB C 57 62.600 62.806 -0.206 1
1 649 . 11 1 1 A 58 58 SER N N 57 114.100 116.958 -2.858 1
1 650 . 11 1 1 A 59 59 ASN H H 58 7.700 8.529 -0.829 1
1 651 . 11 1 1 A 59 59 ASN HA H 58 4.580 4.424 0.156 1
1 656 . 11 1 1 A 59 59 ASN C C 58 178.000 177.385 0.615 1
1 657 . 11 1 1 A 59 59 ASN CA C 58 56.200 56.981 -0.781 1
1 658 . 11 1 1 A 59 59 ASN CB C 58 38.700 39.376 -0.676 1
1 659 . 11 1 1 A 59 59 ASN N N 58 119.500 120.211 -0.711 1
1 661 . 11 1 1 A 60 60 LEU H H 59 8.250 8.061 0.189 1
1 662 . 11 1 1 A 60 60 LEU HA H 59 4.070 4.058 0.012 1
1 671 . 11 1 1 A 60 60 LEU C C 59 178.400 179.108 -0.708 1
1 672 . 11 1 1 A 60 60 LEU CA C 59 57.500 57.836 -0.336 1
1 673 . 11 1 1 A 60 60 LEU CB C 59 42.100 41.263 0.837 1
1 677 . 11 1 1 A 60 60 LEU N N 59 123.000 119.020 3.980 1
1 678 . 11 1 1 A 61 61 ALA H H 60 8.070 8.562 -0.492 1
1 679 . 11 1 1 A 61 61 ALA HA H 60 3.910 4.607 -0.697 1
1 683 . 11 1 1 A 61 61 ALA C C 60 178.400 179.654 -1.254 1
1 684 . 11 1 1 A 61 61 ALA CA C 60 54.600 55.209 -0.609 1
1 685 . 11 1 1 A 61 61 ALA CB C 60 18.200 18.274 -0.074 1
1 686 . 11 1 1 A 61 61 ALA N N 60 120.700 121.898 -1.198 1
1 687 . 11 1 1 A 62 62 LEU H H 61 7.170 7.935 -0.765 1
1 688 . 11 1 1 A 62 62 LEU HA H 61 4.200 4.126 0.074 1
1 695 . 11 1 1 A 62 62 LEU C C 61 178.300 178.338 -0.038 1
1 696 . 11 1 1 A 62 62 LEU CA C 61 56.500 57.231 -0.731 1
1 697 . 11 1 1 A 62 62 LEU CB C 61 42.100 41.331 0.769 1
1 701 . 11 1 1 A 62 62 LEU N N 61 113.700 120.315 -6.615 1
1 702 . 11 1 1 A 63 63 VAL H H 62 7.330 7.374 -0.044 1
1 703 . 11 1 1 A 63 63 VAL HA H 62 4.380 4.161 0.219 1
1 711 . 11 1 1 A 63 63 VAL C C 62 176.200 176.193 0.007 1
1 712 . 11 1 1 A 63 63 VAL CA C 62 62.800 63.839 -1.039 1
1 713 . 11 1 1 A 63 63 VAL CB C 62 33.900 32.604 1.296 1
1 716 . 11 1 1 A 63 63 VAL N N 62 112.500 111.868 0.632 1
1 717 . 11 1 1 A 64 64 LYS H H 63 8.710 8.184 0.526 1
1 718 . 11 1 1 A 64 64 LYS HA H 63 5.000 4.739 0.261 1
1 727 . 11 1 1 A 64 64 LYS C C 63 174.200 174.941 -0.741 1
1 728 . 11 1 1 A 64 64 LYS CA C 63 53.600 53.935 -0.335 1
1 729 . 11 1 1 A 64 64 LYS CB C 63 33.400 32.852 0.548 1
1 733 . 11 1 1 A 64 64 LYS N N 63 120.400 120.868 -0.468 1
1 734 . 11 1 1 A 65 65 PRO HA H 64 4.360 4.911 -0.551 1
1 741 . 11 1 1 A 65 65 PRO C C 64 179.400 178.089 1.311 1
1 742 . 11 1 1 A 65 65 PRO CA C 64 66.000 64.432 1.568 1
1 743 . 11 1 1 A 65 65 PRO CB C 64 31.400 31.875 -0.475 1
1 746 . 11 1 1 A 66 66 GLU H H 65 8.920 8.372 0.548 1
1 747 . 11 1 1 A 66 66 GLU HA H 65 4.200 4.069 0.131 1
1 752 . 11 1 1 A 66 66 GLU C C 65 179.600 179.421 0.179 1
1 753 . 11 1 1 A 66 66 GLU CA C 65 59.400 59.886 -0.486 1
1 754 . 11 1 1 A 66 66 GLU CB C 65 28.300 29.049 -0.749 1
1 756 . 11 1 1 A 66 66 GLU N N 65 118.700 118.346 0.354 1
1 757 . 11 1 1 A 67 67 LYS H H 66 8.000 7.667 0.333 1
1 758 . 11 1 1 A 67 67 LYS HA H 66 4.160 4.165 -0.005 1
1 767 . 11 1 1 A 67 67 LYS C C 66 178.400 179.113 -0.713 1
1 768 . 11 1 1 A 67 67 LYS CA C 66 58.500 58.790 -0.290 1
1 769 . 11 1 1 A 67 67 LYS CB C 66 32.300 32.053 0.247 1
1 773 . 11 1 1 A 67 67 LYS N N 66 121.300 118.942 2.358 1
1 774 . 11 1 1 A 68 68 THR H H 67 7.960 7.601 0.359 1
1 775 . 11 1 1 A 68 68 THR HA H 67 4.130 3.877 0.253 1
1 780 . 11 1 1 A 68 68 THR C C 67 176.200 176.544 -0.344 1
1 781 . 11 1 1 A 68 68 THR CA C 67 67.800 67.111 0.689 1
1 782 . 11 1 1 A 68 68 THR CB C 67 67.800 68.122 -0.322 1
1 784 . 11 1 1 A 68 68 THR N N 67 114.200 117.163 -2.963 1
1 785 . 11 1 1 A 69 69 LYS H H 68 7.770 7.859 -0.089 1
1 786 . 11 1 1 A 69 69 LYS HA H 68 3.990 3.959 0.031 1
1 795 . 11 1 1 A 69 69 LYS C C 68 178.100 178.724 -0.624 1
1 796 . 11 1 1 A 69 69 LYS CA C 68 59.400 59.643 -0.243 1
1 797 . 11 1 1 A 69 69 LYS CB C 68 31.700 32.380 -0.680 1
1 801 . 11 1 1 A 69 69 LYS N N 68 122.000 119.547 2.453 1
1 802 . 11 1 1 A 70 70 ALA H H 69 7.480 7.331 0.149 1
1 803 . 11 1 1 A 70 70 ALA HA H 69 4.240 4.052 0.188 1
1 807 . 11 1 1 A 70 70 ALA C C 69 181.200 180.105 1.095 1
1 808 . 11 1 1 A 70 70 ALA CA C 69 55.200 55.183 0.017 1
1 809 . 11 1 1 A 70 70 ALA CB C 69 17.900 18.483 -0.583 1
1 810 . 11 1 1 A 70 70 ALA N N 69 120.300 122.282 -1.982 1
1 811 . 11 1 1 A 71 71 VAL H H 70 8.160 8.086 0.074 1
1 812 . 11 1 1 A 71 71 VAL HA H 70 3.620 3.845 -0.225 1
1 820 . 11 1 1 A 71 71 VAL C C 70 177.400 178.123 -0.723 1
1 821 . 11 1 1 A 71 71 VAL CA C 70 66.600 65.287 1.313 1
1 822 . 11 1 1 A 71 71 VAL CB C 70 31.500 31.598 -0.098 1
1 825 . 11 1 1 A 71 71 VAL N N 70 120.300 117.001 3.299 1
1 826 . 11 1 1 A 72 72 GLU H H 71 8.690 8.684 0.006 1
1 827 . 11 1 1 A 72 72 GLU HA H 71 3.800 3.957 -0.157 1
1 832 . 11 1 1 A 72 72 GLU C C 71 178.000 179.106 -1.106 1
1 833 . 11 1 1 A 72 72 GLU CA C 71 60.400 60.072 0.328 1
1 834 . 11 1 1 A 72 72 GLU CB C 71 29.200 29.509 -0.309 1
1 836 . 11 1 1 A 72 72 GLU N N 71 119.300 122.392 -3.092 1
1 837 . 11 1 1 A 73 73 ASN H H 72 8.460 8.467 -0.007 1
1 838 . 11 1 1 A 73 73 ASN HA H 72 4.440 4.440 0.000 1
1 843 . 11 1 1 A 73 73 ASN C C 72 177.600 177.245 0.355 1
1 844 . 11 1 1 A 73 73 ASN CA C 72 56.200 56.212 -0.012 1
1 845 . 11 1 1 A 73 73 ASN CB C 72 37.600 39.370 -1.770 1
1 846 . 11 1 1 A 73 73 ASN N N 72 115.900 118.304 -2.404 1
1 848 . 11 1 1 A 74 74 TYR H H 73 7.940 8.161 -0.221 1
1 849 . 11 1 1 A 74 74 TYR HA H 73 4.200 4.208 -0.008 1
1 856 . 11 1 1 A 74 74 TYR C C 73 177.600 177.159 0.441 1
1 857 . 11 1 1 A 74 74 TYR CA C 73 61.500 61.494 0.006 1
1 858 . 11 1 1 A 74 74 TYR CB C 73 38.400 38.463 -0.063 1
1 863 . 11 1 1 A 74 74 TYR N N 73 122.400 120.512 1.888 1
1 864 . 11 1 1 A 75 75 LEU H H 74 8.410 8.666 -0.256 1
1 865 . 11 1 1 A 75 75 LEU HA H 74 3.930 3.661 0.269 1
1 875 . 11 1 1 A 75 75 LEU C C 74 178.500 178.938 -0.438 1
1 876 . 11 1 1 A 75 75 LEU CA C 74 58.100 57.982 0.118 1
1 877 . 11 1 1 A 75 75 LEU CB C 74 42.600 41.716 0.884 1
1 881 . 11 1 1 A 75 75 LEU N N 74 119.500 119.851 -0.351 1
1 882 . 11 1 1 A 76 76 ILE H H 75 8.400 8.440 -0.040 1
1 883 . 11 1 1 A 76 76 ILE HA H 75 3.570 3.417 0.153 1
1 890 . 11 1 1 A 76 76 ILE C C 75 178.100 178.039 0.061 1
1 891 . 11 1 1 A 76 76 ILE CA C 75 65.200 65.506 -0.306 1
1 892 . 11 1 1 A 76 76 ILE CB C 75 37.800 37.781 0.019 1
1 896 . 11 1 1 A 76 76 ILE N N 75 118.600 120.107 -1.507 1
1 897 . 11 1 1 A 77 77 GLN H H 76 7.830 7.402 0.428 1
1 898 . 11 1 1 A 77 77 GLN HA H 76 3.920 3.629 0.291 1
1 903 . 11 1 1 A 77 77 GLN C C 76 178.100 177.935 0.165 1
1 904 . 11 1 1 A 77 77 GLN CA C 76 59.100 58.505 0.595 1
1 905 . 11 1 1 A 77 77 GLN CB C 76 28.000 28.506 -0.506 1
1 907 . 11 1 1 A 77 77 GLN N N 76 119.300 118.959 0.341 1
1 908 . 11 1 1 A 78 78 MET H H 77 8.060 7.912 0.148 1
1 909 . 11 1 1 A 78 78 MET HA H 77 4.040 4.084 -0.044 1
1 912 . 11 1 1 A 78 78 MET C C 77 178.700 177.912 0.788 1
1 913 . 11 1 1 A 78 78 MET CA C 77 58.600 58.132 0.468 1
1 914 . 11 1 1 A 78 78 MET CB C 77 33.000 31.990 1.010 1
1 916 . 11 1 1 A 78 78 MET N N 77 117.600 118.933 -1.333 1
1 917 . 11 1 1 A 79 79 ALA H H 78 8.210 8.319 -0.109 1
1 918 . 11 1 1 A 79 79 ALA HA H 78 4.190 3.891 0.299 1
1 922 . 11 1 1 A 79 79 ALA C C 78 180.600 179.608 0.992 1
1 923 . 11 1 1 A 79 79 ALA CA C 78 54.100 55.200 -1.100 1
1 924 . 11 1 1 A 79 79 ALA CB C 78 18.400 17.682 0.718 1
1 925 . 11 1 1 A 79 79 ALA N N 78 121.400 121.190 0.210 1
1 926 . 11 1 1 A 80 80 ARG H H 79 8.120 7.939 0.181 1
1 927 . 11 1 1 A 80 80 ARG HA H 79 3.960 4.043 -0.083 1
1 934 . 11 1 1 A 80 80 ARG C C 79 177.900 178.411 -0.511 1
1 935 . 11 1 1 A 80 80 ARG CA C 79 58.800 58.651 0.149 1
1 936 . 11 1 1 A 80 80 ARG CB C 79 29.900 29.457 0.443 1
1 939 . 11 1 1 A 80 80 ARG N N 79 119.100 119.888 -0.788 1
1 940 . 11 1 1 A 81 81 TYR H H 80 7.800 7.356 0.444 1
1 941 . 11 1 1 A 81 81 TYR HA H 80 4.710 4.555 0.155 1
1 948 . 11 1 1 A 81 81 TYR C C 80 176.500 175.996 0.504 1
1 949 . 11 1 1 A 81 81 TYR CA C 80 57.500 58.093 -0.593 1
1 950 . 11 1 1 A 81 81 TYR CB C 80 38.100 38.708 -0.608 1
1 955 . 11 1 1 A 81 81 TYR N N 80 115.900 116.630 -0.730 1
1 956 . 11 1 1 A 82 82 GLY H H 81 7.850 7.617 0.233 1
1 957 . 11 1 1 A 82 82 GLY HA2 H 81 4.030 3.967 0.063 1
1 958 . 11 1 1 A 82 82 GLY HA3 H 81 4.030 3.989 0.041 1
1 959 . 11 1 1 A 82 82 GLY C C 81 174.900 175.037 -0.137 1
1 960 . 11 1 1 A 82 82 GLY CA C 81 46.300 46.228 0.072 1
1 961 . 11 1 1 A 82 82 GLY N N 81 108.500 108.304 0.196 1
1 962 . 11 1 1 A 83 83 GLN H H 82 8.200 8.108 0.092 1
1 963 . 11 1 1 A 83 83 GLN HA H 82 4.310 4.327 -0.017 1
1 968 . 11 1 1 A 83 83 GLN C C 82 175.500 176.010 -0.510 1
1 969 . 11 1 1 A 83 83 GLN CA C 82 55.700 56.023 -0.323 1
1 970 . 11 1 1 A 83 83 GLN CB C 82 29.400 29.311 0.089 1
1 972 . 11 1 1 A 83 83 GLN N N 82 116.900 117.734 -0.834 1
1 973 . 11 1 1 A 84 84 LEU H H 83 7.990 7.606 0.384 1
1 974 . 11 1 1 A 84 84 LEU HA H 83 4.610 4.367 0.243 1
1 984 . 11 1 1 A 84 84 LEU C C 83 176.500 176.456 0.044 1
1 985 . 11 1 1 A 84 84 LEU CA C 83 54.300 54.033 0.267 1
1 986 . 11 1 1 A 84 84 LEU CB C 83 42.600 43.237 -0.637 1
1 990 . 11 1 1 A 84 84 LEU N N 83 121.400 122.080 -0.680 1
1 991 . 11 1 1 A 85 85 SER H H 84 8.630 8.688 -0.058 1
1 992 . 11 1 1 A 85 85 SER HA H 84 4.410 4.751 -0.341 1
1 995 . 11 1 1 A 85 85 SER C C 84 173.700 173.422 0.278 1
1 996 . 11 1 1 A 85 85 SER CA C 84 59.400 57.980 1.420 1
1 997 . 11 1 1 A 85 85 SER CB C 84 63.900 65.322 -1.422 1
1 998 . 11 1 1 A 85 85 SER N N 84 118.400 117.137 1.263 1
1 999 . 11 1 1 A 86 86 GLU H H 85 7.690 8.722 -1.032 1
1 1000 . 11 1 1 A 86 86 GLU HA H 85 4.530 4.255 0.275 1
1 1005 . 11 1 1 A 86 86 GLU C C 85 175.400 174.886 0.514 1
1 1006 . 11 1 1 A 86 86 GLU CA C 85 54.900 58.636 -3.736 1
1 1007 . 11 1 1 A 86 86 GLU CB C 85 31.200 28.508 2.692 1
1 1009 . 11 1 1 A 86 86 GLU N N 85 119.400 126.399 -6.999 1
1 1010 . 11 1 1 A 87 87 LYS H H 86 8.380 8.625 -0.245 1
1 1011 . 11 1 1 A 87 87 LYS HA H 86 4.230 4.822 -0.592 1
1 1018 . 11 1 1 A 87 87 LYS C C 86 176.900 176.231 0.669 1
1 1019 . 11 1 1 A 87 87 LYS CA C 86 57.000 55.221 1.779 1
1 1020 . 11 1 1 A 87 87 LYS CB C 86 33.300 34.308 -1.008 1
1 1024 . 11 1 1 A 87 87 LYS N N 86 120.400 121.660 -1.260 1
1 1025 . 11 1 1 A 88 88 VAL H H 87 8.960 9.030 -0.070 1
1 1026 . 11 1 1 A 88 88 VAL HA H 87 3.970 4.732 -0.762 1
1 1034 . 11 1 1 A 88 88 VAL C C 87 174.700 175.522 -0.822 1
1 1035 . 11 1 1 A 88 88 VAL CA C 87 63.300 60.960 2.340 1
1 1036 . 11 1 1 A 88 88 VAL CB C 87 32.400 33.650 -1.250 1
1 1038 . 11 1 1 A 88 88 VAL N N 87 125.200 121.995 3.205 1
1 1039 . 11 1 1 A 89 89 SER H H 88 8.190 8.924 -0.734 1
1 1040 . 11 1 1 A 89 89 SER HA H 88 4.990 4.606 0.384 1
1 1043 . 11 1 1 A 89 89 SER C C 88 175.700 175.672 0.028 1
1 1044 . 11 1 1 A 89 89 SER CA C 88 56.200 57.751 -1.551 1
1 1045 . 11 1 1 A 89 89 SER CB C 88 66.600 64.658 1.942 1
1 1046 . 11 1 1 A 89 89 SER N N 88 121.700 122.287 -0.587 1
1 1047 . 11 1 1 A 90 90 GLU H H 89 9.230 8.862 0.368 1
1 1048 . 11 1 1 A 90 90 GLU HA H 89 3.720 4.006 -0.286 1
1 1053 . 11 1 1 A 90 90 GLU C C 89 177.700 178.315 -0.615 1
1 1054 . 11 1 1 A 90 90 GLU CA C 89 61.200 59.940 1.260 1
1 1055 . 11 1 1 A 90 90 GLU CB C 89 29.100 29.454 -0.354 1
1 1057 . 11 1 1 A 90 90 GLU N N 89 121.600 123.858 -2.258 1
1 1058 . 11 1 1 A 91 91 GLN H H 90 8.430 8.243 0.187 1
1 1059 . 11 1 1 A 91 91 GLN HA H 90 4.040 4.069 -0.029 1
1 1066 . 11 1 1 A 91 91 GLN C C 90 178.900 179.581 -0.681 1
1 1067 . 11 1 1 A 91 91 GLN CA C 90 59.100 58.871 0.229 1
1 1068 . 11 1 1 A 91 91 GLN CB C 90 27.800 28.520 -0.720 1
1 1070 . 11 1 1 A 91 91 GLN N N 90 117.100 118.170 -1.070 1
1 1072 . 11 1 1 A 92 92 GLY H H 91 8.080 8.267 -0.187 1
1 1073 . 11 1 1 A 92 92 GLY HA2 H 91 3.890 3.592 0.298 1
1 1074 . 11 1 1 A 92 92 GLY HA3 H 91 3.890 3.592 0.298 1
1 1075 . 11 1 1 A 92 92 GLY C C 91 176.600 176.199 0.401 1
1 1076 . 11 1 1 A 92 92 GLY CA C 91 46.900 47.392 -0.492 1
1 1077 . 11 1 1 A 92 92 GLY N N 91 109.400 108.939 0.461 1
1 1078 . 11 1 1 A 93 93 LEU H H 92 8.610 8.192 0.418 1
1 1079 . 11 1 1 A 93 93 LEU HA H 92 4.000 4.196 -0.196 1
1 1089 . 11 1 1 A 93 93 LEU C C 92 178.000 178.655 -0.655 1
1 1090 . 11 1 1 A 93 93 LEU CA C 92 57.500 57.141 0.359 1
1 1091 . 11 1 1 A 93 93 LEU CB C 92 41.800 41.562 0.238 1
1 1095 . 11 1 1 A 93 93 LEU N N 92 123.700 122.420 1.280 1
1 1096 . 11 1 1 A 94 94 ILE H H 93 7.970 8.259 -0.289 1
1 1097 . 11 1 1 A 94 94 ILE HA H 93 3.640 3.560 0.080 1
1 1107 . 11 1 1 A 94 94 ILE C C 93 178.500 178.201 0.299 1
1 1108 . 11 1 1 A 94 94 ILE CA C 93 64.800 64.738 0.062 1
1 1109 . 11 1 1 A 94 94 ILE CB C 93 37.100 36.976 0.124 1
1 1113 . 11 1 1 A 94 94 ILE N N 93 119.900 120.064 -0.164 1
1 1114 . 11 1 1 A 95 95 GLU H H 94 7.610 8.356 -0.746 1
1 1115 . 11 1 1 A 95 95 GLU HA H 94 4.090 4.008 0.082 1
1 1120 . 11 1 1 A 95 95 GLU C C 94 179.400 179.284 0.116 1
1 1121 . 11 1 1 A 95 95 GLU CA C 94 59.200 59.322 -0.122 1
1 1122 . 11 1 1 A 95 95 GLU CB C 94 28.800 29.423 -0.623 1
1 1124 . 11 1 1 A 95 95 GLU N N 94 118.800 122.043 -3.243 1
1 1125 . 11 1 1 A 96 96 ILE H H 95 7.840 7.699 0.141 1
1 1126 . 11 1 1 A 96 96 ILE HA H 95 3.520 3.719 -0.199 1
1 1136 . 11 1 1 A 96 96 ILE C C 95 177.500 177.873 -0.373 1
1 1137 . 11 1 1 A 96 96 ILE CA C 95 65.500 64.625 0.875 1
1 1138 . 11 1 1 A 96 96 ILE CB C 95 37.900 38.013 -0.113 1
1 1142 . 11 1 1 A 96 96 ILE N N 95 121.600 120.817 0.783 1
1 1143 . 11 1 1 A 97 97 LEU H H 96 8.620 8.368 0.252 1
1 1144 . 11 1 1 A 97 97 LEU HA H 96 3.800 3.989 -0.189 1
1 1151 . 11 1 1 A 97 97 LEU C C 96 179.400 178.524 0.876 1
1 1152 . 11 1 1 A 97 97 LEU CA C 96 58.600 58.353 0.247 1
1 1153 . 11 1 1 A 97 97 LEU CB C 96 41.500 41.677 -0.177 1
1 1156 . 11 1 1 A 97 97 LEU N N 96 120.400 121.093 -0.693 1
1 1157 . 11 1 1 A 98 98 LYS H H 97 7.750 8.265 -0.515 1
1 1158 . 11 1 1 A 98 98 LYS HA H 97 3.990 3.918 0.072 1
1 1167 . 11 1 1 A 98 98 LYS C C 97 178.600 179.447 -0.847 1
1 1168 . 11 1 1 A 98 98 LYS CA C 97 59.400 60.279 -0.879 1
1 1169 . 11 1 1 A 98 98 LYS CB C 97 32.300 32.368 -0.068 1
1 1172 . 11 1 1 A 98 98 LYS N N 97 119.000 119.728 -0.728 1
1 1173 . 11 1 1 A 99 99 LYS H H 98 7.710 7.721 -0.011 1
1 1174 . 11 1 1 A 99 99 LYS HA H 98 4.110 4.353 -0.243 1
1 1183 . 11 1 1 A 99 99 LYS C C 98 179.100 178.016 1.084 1
1 1184 . 11 1 1 A 99 99 LYS CA C 98 59.100 59.017 0.083 1
1 1185 . 11 1 1 A 99 99 LYS CB C 98 32.500 31.856 0.644 1
1 1189 . 11 1 1 A 99 99 LYS N N 98 119.500 118.751 0.749 1
1 1190 . 11 1 1 A 100 100 VAL H H 99 8.210 7.734 0.476 1
1 1191 . 11 1 1 A 100 100 VAL HA H 99 3.920 3.932 -0.012 1
1 1196 . 11 1 1 A 100 100 VAL C C 99 177.600 177.803 -0.203 1
1 1197 . 11 1 1 A 100 100 VAL CA C 99 64.200 64.664 -0.464 1
1 1198 . 11 1 1 A 100 100 VAL CB C 99 31.500 31.211 0.289 1
1 1200 . 11 1 1 A 100 100 VAL N N 99 115.800 116.508 -0.708 1
1 1201 . 11 1 1 A 101 101 SER H H 100 7.900 8.000 -0.100 1
1 1202 . 11 1 1 A 101 101 SER HA H 100 4.340 4.373 -0.033 1
1 1205 . 11 1 1 A 101 101 SER C C 100 174.600 175.817 -1.217 1
1 1206 . 11 1 1 A 101 101 SER CA C 100 60.400 61.114 -0.714 1
1 1207 . 11 1 1 A 101 101 SER CB C 100 63.600 63.336 0.264 1
1 1208 . 11 1 1 A 101 101 SER N N 100 116.500 117.420 -0.920 1
1 1209 . 11 1 1 A 102 102 GLN H H 101 7.860 7.550 0.310 1
1 1210 . 11 1 1 A 102 102 GLN HA H 101 4.280 4.265 0.015 1
1 1215 . 11 1 1 A 102 102 GLN C C 101 176.400 177.239 -0.839 1
1 1216 . 11 1 1 A 102 102 GLN CA C 101 56.800 57.992 -1.192 1
1 1217 . 11 1 1 A 102 102 GLN CB C 101 28.900 29.450 -0.550 1
1 1219 . 11 1 1 A 102 102 GLN N N 101 120.100 120.780 -0.680 1
1 1220 . 11 1 1 A 103 103 GLN H H 102 8.080 8.412 -0.332 1
1 1221 . 11 1 1 A 103 103 GLN HA H 102 4.360 4.517 -0.157 1
1 1226 . 11 1 1 A 103 103 GLN C C 102 176.500 176.742 -0.242 1
1 1227 . 11 1 1 A 103 103 GLN CA C 102 56.700 56.759 -0.059 1
1 1228 . 11 1 1 A 103 103 GLN CB C 102 29.000 31.038 -2.038 1
1 1230 . 11 1 1 A 103 103 GLN N N 102 119.700 114.290 5.410 1
1 1231 . 11 1 1 A 104 104 THR H H 103 8.070 7.926 0.144 1
1 1232 . 11 1 1 A 104 104 THR HA H 103 4.350 4.345 0.005 1
1 1237 . 11 1 1 A 104 104 THR C C 103 174.700 174.289 0.411 1
1 1238 . 11 1 1 A 104 104 THR CA C 103 62.500 63.090 -0.590 1
1 1239 . 11 1 1 A 104 104 THR CB C 103 69.800 71.234 -1.434 1
1 1241 . 11 1 1 A 104 104 THR N N 103 113.900 107.738 6.162 1
1 1242 . 11 1 1 A 105 105 GLU H H 104 8.290 8.111 0.179 1
1 1243 . 11 1 1 A 105 105 GLU HA H 104 4.350 4.851 -0.501 1
1 1248 . 11 1 1 A 105 105 GLU C C 104 176.300 174.817 1.483 1
1 1249 . 11 1 1 A 105 105 GLU CA C 104 56.700 54.747 1.953 1
1 1250 . 11 1 1 A 105 105 GLU CB C 104 29.900 32.667 -2.767 1
1 1252 . 11 1 1 A 105 105 GLU N N 104 122.900 116.053 6.847 1
1 1253 . 11 1 1 A 106 106 LYS H H 105 8.320 8.818 -0.498 1
1 1254 . 11 1 1 A 106 106 LYS HA H 105 4.390 5.124 -0.734 1
1 1263 . 11 1 1 A 106 106 LYS C C 105 176.800 174.614 2.186 1
1 1264 . 11 1 1 A 106 106 LYS CA C 105 56.700 54.699 2.001 1
1 1265 . 11 1 1 A 106 106 LYS CB C 105 32.800 36.372 -3.572 1
1 1269 . 11 1 1 A 106 106 LYS N N 105 121.900 123.433 -1.533 1
1 1270 . 11 1 1 A 107 107 THR H H 106 8.150 8.942 -0.792 1
1 1271 . 11 1 1 A 107 107 THR HA H 106 4.430 4.843 -0.413 1
1 1276 . 11 1 1 A 107 107 THR C C 106 174.600 172.316 2.284 1
1 1277 . 11 1 1 A 107 107 THR CA C 106 62.000 60.482 1.518 1
1 1278 . 11 1 1 A 107 107 THR CB C 106 70.000 69.987 0.013 1
1 1280 . 11 1 1 A 107 107 THR N N 106 115.000 119.332 -4.332 1
1 1281 . 11 1 1 A 108 108 THR H H 107 8.190 9.074 -0.884 1
1 1282 . 11 1 1 A 108 108 THR HA H 107 4.440 5.020 -0.580 1
1 1287 . 11 1 1 A 108 108 THR C C 107 174.500 173.589 0.911 1
1 1288 . 11 1 1 A 108 108 THR CA C 107 62.000 60.613 1.387 1
1 1289 . 11 1 1 A 108 108 THR CB C 107 69.800 70.983 -1.183 1
1 1291 . 11 1 1 A 108 108 THR N N 107 116.500 123.261 -6.761 1
1 1292 . 11 1 1 A 109 109 THR H H 108 8.170 8.817 -0.647 1
1 1293 . 11 1 1 A 109 109 THR HA H 108 4.350 4.871 -0.521 1
1 1298 . 11 1 1 A 109 109 THR C C 108 174.200 174.025 0.175 1
1 1299 . 11 1 1 A 109 109 THR CA C 108 62.000 60.997 1.003 1
1 1300 . 11 1 1 A 109 109 THR CB C 108 69.800 72.216 -2.416 1
1 1302 . 11 1 1 A 109 109 THR N N 108 117.200 122.845 -5.645 1
1 1303 . 11 1 1 A 110 110 VAL H H 109 8.100 8.520 -0.420 1
1 1304 . 11 1 1 A 110 110 VAL HA H 109 4.040 4.167 -0.127 1
1 1312 . 11 1 1 A 110 110 VAL C C 109 175.200 175.087 0.113 1
1 1313 . 11 1 1 A 110 110 VAL CA C 109 62.300 62.482 -0.182 1
1 1314 . 11 1 1 A 110 110 VAL CB C 109 32.600 30.174 2.426 1
1 1316 . 11 1 1 A 110 110 VAL N N 109 123.100 122.580 0.520 1
1 1317 . 11 1 1 A 111 111 LYS H H 110 8.200 7.918 0.282 1
1 1318 . 11 1 1 A 111 111 LYS HA H 110 4.310 4.431 -0.121 1
1 1327 . 11 1 1 A 111 111 LYS C C 110 175.700 177.049 -1.349 1
1 1328 . 11 1 1 A 111 111 LYS CA C 110 55.700 57.589 -1.889 1
1 1329 . 11 1 1 A 111 111 LYS CB C 110 33.300 34.326 -1.026 1
1 1333 . 11 1 1 A 111 111 LYS N N 110 125.200 125.242 -0.042 1
1 1334 . 11 1 1 A 112 112 PHE H H 111 8.310 8.387 -0.077 1
1 1335 . 11 1 1 A 112 112 PHE HA H 111 4.650 4.454 0.196 1
1 1338 . 11 1 1 A 112 112 PHE C C 111 174.500 176.347 -1.847 1
1 1339 . 11 1 1 A 112 112 PHE CA C 111 57.500 59.902 -2.402 1
1 1340 . 11 1 1 A 112 112 PHE CB C 111 39.700 40.097 -0.397 1
1 1341 . 11 1 1 A 112 112 PHE N N 111 122.100 117.888 4.212 1
1 1 . 12 1 1 A 2 2 SER H H 1 8.780 8.721 0.059 1
1 2 . 12 1 1 A 2 2 SER HA H 1 4.480 4.175 0.305 1
1 5 . 12 1 1 A 2 2 SER C C 1 175.000 174.260 0.740 1
1 6 . 12 1 1 A 2 2 SER CA C 1 59.100 59.582 -0.482 1
1 7 . 12 1 1 A 2 2 SER CB C 1 63.900 61.297 2.603 1
1 8 . 12 1 1 A 2 2 SER N N 1 116.600 113.861 2.739 1
1 9 . 12 1 1 A 3 3 ALA H H 2 8.710 7.937 0.773 1
1 10 . 12 1 1 A 3 3 ALA HA H 2 4.310 4.192 0.118 1
1 14 . 12 1 1 A 3 3 ALA C C 2 178.800 179.220 -0.420 1
1 15 . 12 1 1 A 3 3 ALA CA C 2 53.800 55.111 -1.311 1
1 16 . 12 1 1 A 3 3 ALA CB C 2 18.500 18.290 0.210 1
1 17 . 12 1 1 A 3 3 ALA N N 2 125.500 121.698 3.802 1
1 18 . 12 1 1 A 4 4 ASP H H 3 8.190 8.342 -0.152 1
1 19 . 12 1 1 A 4 4 ASP HA H 3 4.500 4.359 0.141 1
1 22 . 12 1 1 A 4 4 ASP C C 3 177.700 178.771 -1.071 1
1 23 . 12 1 1 A 4 4 ASP CA C 3 55.900 56.688 -0.788 1
1 24 . 12 1 1 A 4 4 ASP CB C 3 40.500 39.986 0.514 1
1 25 . 12 1 1 A 4 4 ASP N N 3 117.800 117.172 0.628 1
1 26 . 12 1 1 A 5 5 GLU H H 4 8.150 8.240 -0.090 1
1 27 . 12 1 1 A 5 5 GLU HA H 4 4.140 4.071 0.069 1
1 32 . 12 1 1 A 5 5 GLU C C 4 178.600 178.614 -0.014 1
1 33 . 12 1 1 A 5 5 GLU CA C 4 58.600 59.195 -0.595 1
1 34 . 12 1 1 A 5 5 GLU CB C 4 29.100 29.271 -0.171 1
1 36 . 12 1 1 A 5 5 GLU N N 4 120.800 120.564 0.236 1
1 37 . 12 1 1 A 6 6 GLU H H 5 8.250 8.262 -0.012 1
1 38 . 12 1 1 A 6 6 GLU HA H 5 4.200 4.103 0.097 1
1 43 . 12 1 1 A 6 6 GLU C C 5 178.300 178.936 -0.636 1
1 44 . 12 1 1 A 6 6 GLU CA C 5 58.600 59.085 -0.485 1
1 45 . 12 1 1 A 6 6 GLU CB C 5 28.800 28.788 0.012 1
1 47 . 12 1 1 A 6 6 GLU N N 5 120.800 117.860 2.940 1
1 48 . 12 1 1 A 7 7 LEU H H 6 7.990 8.179 -0.189 1
1 49 . 12 1 1 A 7 7 LEU HA H 6 4.170 4.058 0.112 1
1 58 . 12 1 1 A 7 7 LEU C C 6 179.500 178.723 0.777 1
1 59 . 12 1 1 A 7 7 LEU CA C 6 57.500 57.858 -0.358 1
1 60 . 12 1 1 A 7 7 LEU CB C 6 41.600 41.615 -0.015 1
1 64 . 12 1 1 A 7 7 LEU N N 6 120.900 123.060 -2.160 1
1 65 . 12 1 1 A 8 8 GLU H H 7 8.130 8.258 -0.128 1
1 66 . 12 1 1 A 8 8 GLU HA H 7 4.160 3.969 0.191 1
1 71 . 12 1 1 A 8 8 GLU C C 7 178.300 178.659 -0.359 1
1 72 . 12 1 1 A 8 8 GLU CA C 7 58.800 59.046 -0.246 1
1 73 . 12 1 1 A 8 8 GLU CB C 7 28.800 29.293 -0.493 1
1 75 . 12 1 1 A 8 8 GLU N N 7 120.100 118.560 1.540 1
1 76 . 12 1 1 A 9 9 ALA H H 8 8.030 8.121 -0.091 1
1 77 . 12 1 1 A 9 9 ALA HA H 8 4.090 4.099 -0.009 1
1 81 . 12 1 1 A 9 9 ALA C C 8 180.500 179.731 0.769 1
1 82 . 12 1 1 A 9 9 ALA CA C 8 55.100 55.233 -0.133 1
1 83 . 12 1 1 A 9 9 ALA CB C 8 17.900 18.001 -0.101 1
1 84 . 12 1 1 A 9 9 ALA N N 8 122.100 121.827 0.273 1
1 85 . 12 1 1 A 10 10 LEU H H 9 7.890 8.224 -0.334 1
1 86 . 12 1 1 A 10 10 LEU HA H 9 4.160 4.096 0.064 1
1 95 . 12 1 1 A 10 10 LEU C C 9 179.200 178.407 0.793 1
1 96 . 12 1 1 A 10 10 LEU CA C 9 57.500 57.376 0.124 1
1 97 . 12 1 1 A 10 10 LEU CB C 9 41.800 41.795 0.005 1
1 101 . 12 1 1 A 10 10 LEU N N 9 119.500 119.981 -0.481 1
1 102 . 12 1 1 A 11 11 ARG H H 10 8.080 8.128 -0.048 1
1 103 . 12 1 1 A 11 11 ARG HA H 10 4.010 3.827 0.183 1
1 110 . 12 1 1 A 11 11 ARG C C 10 178.900 178.870 0.030 1
1 111 . 12 1 1 A 11 11 ARG CA C 10 59.400 59.748 -0.348 1
1 112 . 12 1 1 A 11 11 ARG CB C 10 30.100 29.596 0.504 1
1 115 . 12 1 1 A 11 11 ARG N N 10 120.400 118.733 1.667 1
1 116 . 12 1 1 A 12 12 ARG H H 11 8.170 8.028 0.142 1
1 117 . 12 1 1 A 12 12 ARG HA H 11 4.040 4.125 -0.085 1
1 124 . 12 1 1 A 12 12 ARG C C 11 178.900 178.961 -0.061 1
1 125 . 12 1 1 A 12 12 ARG CA C 11 59.300 59.489 -0.189 1
1 126 . 12 1 1 A 12 12 ARG CB C 11 30.000 29.835 0.165 1
1 129 . 12 1 1 A 12 12 ARG N N 11 118.400 118.437 -0.037 1
1 130 . 12 1 1 A 13 13 GLN H H 12 8.060 8.042 0.018 1
1 131 . 12 1 1 A 13 13 GLN HA H 12 4.150 3.964 0.186 1
1 136 . 12 1 1 A 13 13 GLN C C 12 177.900 179.069 -1.169 1
1 137 . 12 1 1 A 13 13 GLN CA C 12 58.600 59.097 -0.497 1
1 138 . 12 1 1 A 13 13 GLN CB C 12 28.500 28.151 0.349 1
1 140 . 12 1 1 A 13 13 GLN N N 12 120.400 119.377 1.023 1
1 141 . 12 1 1 A 14 14 ARG H H 13 8.180 8.299 -0.119 1
1 142 . 12 1 1 A 14 14 ARG HA H 13 4.160 4.085 0.075 1
1 149 . 12 1 1 A 14 14 ARG C C 13 178.600 179.006 -0.406 1
1 150 . 12 1 1 A 14 14 ARG CA C 13 58.600 58.557 0.043 1
1 151 . 12 1 1 A 14 14 ARG CB C 13 29.900 30.133 -0.233 1
1 154 . 12 1 1 A 14 14 ARG N N 13 119.900 119.684 0.216 1
1 155 . 12 1 1 A 15 15 LEU H H 14 7.980 8.069 -0.089 1
1 156 . 12 1 1 A 15 15 LEU HA H 14 4.180 4.042 0.138 1
1 165 . 12 1 1 A 15 15 LEU C C 14 178.800 178.325 0.475 1
1 166 . 12 1 1 A 15 15 LEU CA C 14 57.300 57.760 -0.460 1
1 167 . 12 1 1 A 15 15 LEU CB C 14 41.700 41.190 0.510 1
1 171 . 12 1 1 A 15 15 LEU N N 14 119.900 121.963 -2.063 1
1 172 . 12 1 1 A 16 16 ALA H H 15 7.930 7.751 0.179 1
1 173 . 12 1 1 A 16 16 ALA HA H 15 4.190 4.112 0.078 1
1 177 . 12 1 1 A 16 16 ALA C C 15 180.100 179.661 0.439 1
1 178 . 12 1 1 A 16 16 ALA CA C 15 54.500 55.024 -0.524 1
1 179 . 12 1 1 A 16 16 ALA CB C 15 18.000 18.108 -0.108 1
1 180 . 12 1 1 A 16 16 ALA N N 15 122.000 120.665 1.335 1
1 181 . 12 1 1 A 17 17 GLU H H 16 8.010 7.681 0.329 1
1 182 . 12 1 1 A 17 17 GLU HA H 16 4.160 3.962 0.198 1
1 187 . 12 1 1 A 17 17 GLU C C 16 178.100 179.045 -0.945 1
1 188 . 12 1 1 A 17 17 GLU CA C 16 58.100 59.438 -1.338 1
1 189 . 12 1 1 A 17 17 GLU CB C 16 28.900 29.814 -0.914 1
1 191 . 12 1 1 A 17 17 GLU N N 16 118.500 118.645 -0.145 1
1 192 . 12 1 1 A 18 18 LEU H H 17 7.890 8.149 -0.259 1
1 193 . 12 1 1 A 18 18 LEU HA H 17 4.200 4.044 0.156 1
1 203 . 12 1 1 A 18 18 LEU C C 17 178.700 176.744 1.956 1
1 204 . 12 1 1 A 18 18 LEU CA C 17 56.900 57.911 -1.011 1
1 205 . 12 1 1 A 18 18 LEU CB C 17 42.100 41.756 0.344 1
1 209 . 12 1 1 A 18 18 LEU N N 17 120.400 121.394 -0.994 1
1 210 . 12 1 1 A 19 19 GLN H H 18 8.020 8.153 -0.133 1
1 211 . 12 1 1 A 19 19 GLN HA H 18 4.200 4.203 -0.003 1
1 216 . 12 1 1 A 19 19 GLN C C 18 176.700 175.509 1.191 1
1 217 . 12 1 1 A 19 19 GLN CA C 18 56.900 57.926 -1.026 1
1 218 . 12 1 1 A 19 19 GLN CB C 18 28.800 28.449 0.351 1
1 220 . 12 1 1 A 19 19 GLN N N 18 118.500 118.970 -0.470 1
1 221 . 12 1 1 A 20 20 ALA H H 19 7.850 8.379 -0.529 1
1 222 . 12 1 1 A 20 20 ALA HA H 19 4.240 4.177 0.063 1
1 226 . 12 1 1 A 20 20 ALA C C 19 178.000 177.466 0.534 1
1 227 . 12 1 1 A 20 20 ALA CA C 19 53.100 53.139 -0.039 1
1 228 . 12 1 1 A 20 20 ALA CB C 19 18.700 19.272 -0.572 1
1 229 . 12 1 1 A 20 20 ALA N N 19 122.700 123.830 -1.130 1
1 230 . 12 1 1 A 21 21 LYS H H 20 7.950 8.762 -0.812 1
1 231 . 12 1 1 A 21 21 LYS HA H 20 4.260 4.621 -0.361 1
1 238 . 12 1 1 A 21 21 LYS C C 20 176.600 176.247 0.353 1
1 239 . 12 1 1 A 21 21 LYS CA C 20 56.500 55.064 1.436 1
1 240 . 12 1 1 A 21 21 LYS CB C 20 32.600 32.554 0.046 1
1 244 . 12 1 1 A 21 21 LYS N N 20 118.800 123.666 -4.866 1
1 245 . 12 1 1 A 22 22 HIS H H 21 8.320 7.886 0.434 1
1 246 . 12 1 1 A 22 22 HIS HA H 21 4.730 4.936 -0.206 1
1 249 . 12 1 1 A 22 22 HIS C C 21 174.800 175.855 -1.055 1
1 250 . 12 1 1 A 22 22 HIS CA C 21 55.400 55.234 0.166 1
1 251 . 12 1 1 A 22 22 HIS CB C 21 28.800 31.259 -2.459 1
1 252 . 12 1 1 A 22 22 HIS N N 21 118.600 118.170 0.430 1
1 253 . 12 1 1 A 23 23 GLY H H 22 8.360 8.076 0.284 1
1 254 . 12 1 1 A 23 23 GLY HA2 H 22 3.960 3.826 0.134 1
1 255 . 12 1 1 A 23 23 GLY HA3 H 22 3.960 3.889 0.071 1
1 256 . 12 1 1 A 23 23 GLY C C 22 173.200 173.533 -0.333 1
1 257 . 12 1 1 A 23 23 GLY CA C 22 45.000 45.283 -0.283 1
1 258 . 12 1 1 A 23 23 GLY N N 22 109.600 108.786 0.814 1
1 259 . 12 1 1 A 24 24 ASP H H 23 8.320 7.886 0.434 1
1 260 . 12 1 1 A 24 24 ASP HA H 23 4.940 4.840 0.100 1
1 263 . 12 1 1 A 24 24 ASP C C 23 174.900 175.866 -0.966 1
1 264 . 12 1 1 A 24 24 ASP CA C 23 52.200 51.809 0.391 1
1 265 . 12 1 1 A 24 24 ASP CB C 23 41.300 41.513 -0.213 1
1 266 . 12 1 1 A 24 24 ASP N N 23 121.600 120.226 1.374 1
1 267 . 12 1 1 A 25 25 PRO HA H 24 4.430 4.471 -0.041 1
1 274 . 12 1 1 A 25 25 PRO C C 24 177.800 177.823 -0.023 1
1 275 . 12 1 1 A 25 25 PRO CA C 24 64.100 63.363 0.737 1
1 276 . 12 1 1 A 25 25 PRO CB C 24 31.900 32.316 -0.416 1
1 279 . 12 1 1 A 26 26 GLY H H 25 8.520 8.652 -0.132 1
1 280 . 12 1 1 A 26 26 GLY HA2 H 25 3.940 3.855 0.085 1
1 281 . 12 1 1 A 26 26 GLY HA3 H 25 3.940 3.857 0.083 1
1 282 . 12 1 1 A 26 26 GLY C C 25 174.400 175.091 -0.691 1
1 283 . 12 1 1 A 26 26 GLY CA C 25 45.500 46.815 -1.315 1
1 284 . 12 1 1 A 26 26 GLY N N 25 108.300 111.798 -3.498 1
1 285 . 12 1 1 A 27 27 ASP H H 26 8.100 8.992 -0.892 1
1 286 . 12 1 1 A 27 27 ASP HA H 26 4.610 4.355 0.255 1
1 289 . 12 1 1 A 27 27 ASP C C 26 176.900 178.370 -1.470 1
1 290 . 12 1 1 A 27 27 ASP CA C 26 54.800 57.542 -2.742 1
1 291 . 12 1 1 A 27 27 ASP CB C 26 40.800 41.733 -0.933 1
1 292 . 12 1 1 A 27 27 ASP N N 26 120.700 125.576 -4.876 1
1 293 . 12 1 1 A 28 28 ALA H H 27 8.320 7.627 0.693 1
1 294 . 12 1 1 A 28 28 ALA HA H 27 4.180 4.108 0.072 1
1 298 . 12 1 1 A 28 28 ALA C C 27 179.300 179.555 -0.255 1
1 299 . 12 1 1 A 28 28 ALA CA C 27 54.600 55.156 -0.556 1
1 300 . 12 1 1 A 28 28 ALA CB C 27 18.400 17.896 0.504 1
1 301 . 12 1 1 A 28 28 ALA N N 27 124.100 121.120 2.980 1
1 302 . 12 1 1 A 29 29 ALA H H 28 8.250 7.646 0.604 1
1 303 . 12 1 1 A 29 29 ALA HA H 28 4.230 4.019 0.211 1
1 307 . 12 1 1 A 29 29 ALA C C 28 180.000 179.880 0.120 1
1 308 . 12 1 1 A 29 29 ALA CA C 28 54.300 55.302 -1.002 1
1 309 . 12 1 1 A 29 29 ALA CB C 28 18.200 18.160 0.040 1
1 310 . 12 1 1 A 29 29 ALA N N 28 121.200 120.275 0.925 1
1 311 . 12 1 1 A 30 30 GLN H H 29 8.120 8.112 0.008 1
1 312 . 12 1 1 A 30 30 GLN HA H 29 4.230 4.003 0.227 1
1 317 . 12 1 1 A 30 30 GLN C C 29 177.900 178.109 -0.209 1
1 318 . 12 1 1 A 30 30 GLN CA C 29 57.800 58.913 -1.113 1
1 319 . 12 1 1 A 30 30 GLN CB C 29 28.600 28.531 0.069 1
1 321 . 12 1 1 A 30 30 GLN N N 29 118.800 117.082 1.718 1
1 322 . 12 1 1 A 31 31 GLN H H 30 8.240 8.308 -0.068 1
1 323 . 12 1 1 A 31 31 GLN HA H 30 4.120 4.035 0.085 1
1 328 . 12 1 1 A 31 31 GLN C C 30 178.100 178.674 -0.574 1
1 329 . 12 1 1 A 31 31 GLN CA C 30 58.000 58.868 -0.868 1
1 330 . 12 1 1 A 31 31 GLN CB C 30 28.500 28.850 -0.350 1
1 332 . 12 1 1 A 31 31 GLN N N 30 119.600 119.485 0.115 1
1 333 . 12 1 1 A 32 32 GLU H H 31 8.300 8.186 0.114 1
1 334 . 12 1 1 A 32 32 GLU HA H 31 4.190 4.194 -0.004 1
1 339 . 12 1 1 A 32 32 GLU C C 31 178.100 179.293 -1.193 1
1 340 . 12 1 1 A 32 32 GLU CA C 31 58.600 59.138 -0.538 1
1 341 . 12 1 1 A 32 32 GLU CB C 31 28.800 29.024 -0.224 1
1 343 . 12 1 1 A 32 32 GLU N N 31 120.800 117.931 2.869 1
1 344 . 12 1 1 A 33 33 ALA H H 32 8.070 8.465 -0.395 1
1 345 . 12 1 1 A 33 33 ALA HA H 32 4.160 4.008 0.152 1
1 349 . 12 1 1 A 33 33 ALA C C 32 179.900 179.417 0.483 1
1 350 . 12 1 1 A 33 33 ALA CA C 32 54.900 55.469 -0.569 1
1 351 . 12 1 1 A 33 33 ALA CB C 32 18.200 18.288 -0.088 1
1 352 . 12 1 1 A 33 33 ALA N N 32 123.000 122.891 0.109 1
1 353 . 12 1 1 A 34 34 LYS H H 33 8.050 8.047 0.003 1
1 354 . 12 1 1 A 34 34 LYS HA H 33 4.150 4.065 0.085 1
1 363 . 12 1 1 A 34 34 LYS C C 33 178.900 178.854 0.046 1
1 364 . 12 1 1 A 34 34 LYS CA C 33 58.600 59.043 -0.443 1
1 365 . 12 1 1 A 34 34 LYS CB C 33 32.300 31.869 0.431 1
1 369 . 12 1 1 A 34 34 LYS N N 33 118.600 119.202 -0.602 1
1 370 . 12 1 1 A 35 35 HIS H H 34 8.240 8.626 -0.386 1
1 371 . 12 1 1 A 35 35 HIS HA H 34 4.580 4.225 0.355 1
1 374 . 12 1 1 A 35 35 HIS C C 34 176.300 177.606 -1.306 1
1 375 . 12 1 1 A 35 35 HIS CA C 34 57.800 60.076 -2.276 1
1 376 . 12 1 1 A 35 35 HIS CB C 34 28.300 29.598 -1.298 1
1 377 . 12 1 1 A 35 35 HIS N N 34 119.100 119.254 -0.154 1
1 378 . 12 1 1 A 36 36 ARG H H 35 8.390 8.243 0.147 1
1 379 . 12 1 1 A 36 36 ARG HA H 35 4.160 4.088 0.072 1
1 386 . 12 1 1 A 36 36 ARG C C 35 178.500 178.658 -0.158 1
1 387 . 12 1 1 A 36 36 ARG CA C 35 58.800 58.626 0.174 1
1 388 . 12 1 1 A 36 36 ARG CB C 35 29.200 29.534 -0.334 1
1 391 . 12 1 1 A 36 36 ARG N N 35 120.600 118.670 1.930 1
1 392 . 12 1 1 A 37 37 GLU H H 36 8.240 8.389 -0.149 1
1 393 . 12 1 1 A 37 37 GLU HA H 36 4.080 4.036 0.044 1
1 398 . 12 1 1 A 37 37 GLU C C 36 178.200 178.480 -0.280 1
1 399 . 12 1 1 A 37 37 GLU CA C 36 59.100 59.752 -0.652 1
1 400 . 12 1 1 A 37 37 GLU CB C 36 29.100 29.187 -0.087 1
1 402 . 12 1 1 A 37 37 GLU N N 36 120.400 119.496 0.904 1
1 403 . 12 1 1 A 38 38 ALA H H 37 7.980 8.172 -0.192 1
1 404 . 12 1 1 A 38 38 ALA HA H 37 4.100 4.130 -0.030 1
1 408 . 12 1 1 A 38 38 ALA C C 37 179.800 179.535 0.265 1
1 409 . 12 1 1 A 38 38 ALA CA C 37 55.100 54.941 0.159 1
1 410 . 12 1 1 A 38 38 ALA CB C 37 18.000 18.188 -0.188 1
1 411 . 12 1 1 A 38 38 ALA N N 37 122.000 121.294 0.706 1
1 412 . 12 1 1 A 39 39 GLU H H 38 8.050 8.082 -0.032 1
1 413 . 12 1 1 A 39 39 GLU HA H 38 4.120 4.026 0.094 1
1 418 . 12 1 1 A 39 39 GLU C C 38 179.000 179.593 -0.593 1
1 419 . 12 1 1 A 39 39 GLU CA C 38 58.800 59.671 -0.871 1
1 420 . 12 1 1 A 39 39 GLU CB C 38 29.100 29.121 -0.021 1
1 422 . 12 1 1 A 39 39 GLU N N 38 118.200 118.000 0.200 1
1 423 . 12 1 1 A 40 40 MET H H 39 8.130 8.669 -0.539 1
1 424 . 12 1 1 A 40 40 MET HA H 39 4.200 4.102 0.098 1
1 429 . 12 1 1 A 40 40 MET C C 39 178.200 178.771 -0.571 1
1 430 . 12 1 1 A 40 40 MET CA C 39 58.100 58.848 -0.748 1
1 431 . 12 1 1 A 40 40 MET CB C 39 32.300 32.786 -0.486 1
1 433 . 12 1 1 A 40 40 MET N N 39 120.300 119.426 0.874 1
1 434 . 12 1 1 A 41 41 ARG HA H 40 3.890 4.086 -0.196 1
1 441 . 12 1 1 A 41 41 ARG C C 40 177.700 179.047 -1.347 1
1 442 . 12 1 1 A 41 41 ARG CA C 40 59.500 59.475 0.025 1
1 443 . 12 1 1 A 41 41 ARG CB C 40 30.300 30.191 0.109 1
1 444 . 12 1 1 A 42 42 ASN H H 41 8.190 8.450 -0.260 1
1 445 . 12 1 1 A 42 42 ASN HA H 41 4.440 4.463 -0.023 1
1 450 . 12 1 1 A 42 42 ASN C C 41 177.700 177.475 0.225 1
1 451 . 12 1 1 A 42 42 ASN CA C 41 55.900 56.728 -0.828 1
1 452 . 12 1 1 A 42 42 ASN CB C 41 38.100 39.172 -1.072 1
1 453 . 12 1 1 A 42 42 ASN N N 41 116.300 118.580 -2.280 1
1 455 . 12 1 1 A 43 43 SER H H 42 8.130 8.477 -0.347 1
1 456 . 12 1 1 A 43 43 SER HA H 42 4.300 4.175 0.125 1
1 459 . 12 1 1 A 43 43 SER C C 42 176.600 176.672 -0.072 1
1 460 . 12 1 1 A 43 43 SER CA C 42 61.200 61.399 -0.199 1
1 461 . 12 1 1 A 43 43 SER CB C 42 63.100 62.481 0.619 1
1 462 . 12 1 1 A 43 43 SER N N 42 116.300 115.077 1.223 1
1 463 . 12 1 1 A 44 44 ILE H H 43 7.940 8.066 -0.126 1
1 464 . 12 1 1 A 44 44 ILE HA H 43 3.860 3.799 0.061 1
1 474 . 12 1 1 A 44 44 ILE C C 43 178.400 178.261 0.139 1
1 475 . 12 1 1 A 44 44 ILE CA C 43 64.500 64.568 -0.068 1
1 476 . 12 1 1 A 44 44 ILE CB C 43 37.900 37.467 0.433 1
1 480 . 12 1 1 A 44 44 ILE N N 43 122.500 118.693 3.807 1
1 481 . 12 1 1 A 45 45 LEU H H 44 8.070 7.989 0.081 1
1 482 . 12 1 1 A 45 45 LEU HA H 44 3.940 4.021 -0.081 1
1 492 . 12 1 1 A 45 45 LEU C C 44 178.200 179.397 -1.197 1
1 493 . 12 1 1 A 45 45 LEU CA C 44 58.100 57.929 0.171 1
1 494 . 12 1 1 A 45 45 LEU CB C 44 41.100 41.561 -0.461 1
1 498 . 12 1 1 A 45 45 LEU N N 44 119.100 122.249 -3.149 1
1 499 . 12 1 1 A 46 46 ALA H H 45 7.760 8.259 -0.499 1
1 500 . 12 1 1 A 46 46 ALA HA H 45 4.100 4.054 0.046 1
1 504 . 12 1 1 A 46 46 ALA C C 45 178.700 178.972 -0.272 1
1 505 . 12 1 1 A 46 46 ALA CA C 45 54.100 54.609 -0.509 1
1 506 . 12 1 1 A 46 46 ALA CB C 45 18.100 18.063 0.037 1
1 507 . 12 1 1 A 46 46 ALA N N 45 117.600 121.343 -3.743 1
1 508 . 12 1 1 A 47 47 GLN H H 46 7.570 7.941 -0.371 1
1 509 . 12 1 1 A 47 47 GLN HA H 46 4.270 4.239 0.031 1
1 514 . 12 1 1 A 47 47 GLN C C 46 177.800 178.509 -0.709 1
1 515 . 12 1 1 A 47 47 GLN CA C 46 57.300 58.107 -0.807 1
1 516 . 12 1 1 A 47 47 GLN CB C 46 29.500 29.516 -0.016 1
1 518 . 12 1 1 A 47 47 GLN N N 46 114.300 115.561 -1.261 1
1 519 . 12 1 1 A 48 48 VAL H H 47 7.690 8.053 -0.363 1
1 520 . 12 1 1 A 48 48 VAL HA H 47 4.380 3.918 0.462 1
1 528 . 12 1 1 A 48 48 VAL C C 47 174.400 175.287 -0.887 1
1 529 . 12 1 1 A 48 48 VAL CA C 47 62.600 64.573 -1.973 1
1 530 . 12 1 1 A 48 48 VAL CB C 47 32.800 32.267 0.533 1
1 533 . 12 1 1 A 48 48 VAL N N 47 111.900 119.747 -7.847 1
1 534 . 12 1 1 A 49 49 LEU H H 48 7.480 7.813 -0.333 1
1 535 . 12 1 1 A 49 49 LEU HA H 48 4.910 4.735 0.175 1
1 545 . 12 1 1 A 49 49 LEU C C 48 177.000 175.882 1.118 1
1 546 . 12 1 1 A 49 49 LEU CA C 48 53.700 52.988 0.712 1
1 547 . 12 1 1 A 49 49 LEU CB C 48 44.500 43.128 1.372 1
1 551 . 12 1 1 A 49 49 LEU N N 48 119.600 121.710 -2.110 1
1 552 . 12 1 1 A 50 50 ASP H H 49 8.430 8.468 -0.038 1
1 553 . 12 1 1 A 50 50 ASP HA H 49 4.630 4.669 -0.039 1
1 556 . 12 1 1 A 50 50 ASP C C 49 176.000 177.307 -1.307 1
1 557 . 12 1 1 A 50 50 ASP CA C 49 53.000 53.823 -0.823 1
1 558 . 12 1 1 A 50 50 ASP CB C 49 40.200 42.299 -2.099 1
1 559 . 12 1 1 A 50 50 ASP N N 49 121.200 125.268 -4.068 1
1 560 . 12 1 1 A 51 51 GLN H H 50 8.580 9.033 -0.453 1
1 561 . 12 1 1 A 51 51 GLN HA H 50 3.950 3.951 -0.001 1
1 566 . 12 1 1 A 51 51 GLN C C 50 178.800 177.655 1.145 1
1 567 . 12 1 1 A 51 51 GLN CA C 50 60.200 59.175 1.025 1
1 568 . 12 1 1 A 51 51 GLN CB C 50 28.300 28.244 0.056 1
1 570 . 12 1 1 A 51 51 GLN N N 50 118.200 125.693 -7.493 1
1 571 . 12 1 1 A 52 52 SER H H 51 8.430 8.516 -0.086 1
1 572 . 12 1 1 A 52 52 SER HA H 51 4.320 4.213 0.107 1
1 575 . 12 1 1 A 52 52 SER C C 51 177.200 177.019 0.181 1
1 576 . 12 1 1 A 52 52 SER CA C 51 61.500 61.346 0.154 1
1 577 . 12 1 1 A 52 52 SER CB C 51 62.400 62.458 -0.058 1
1 578 . 12 1 1 A 52 52 SER N N 51 117.000 115.826 1.174 1
1 579 . 12 1 1 A 53 53 ALA H H 52 8.760 7.914 0.846 1
1 580 . 12 1 1 A 53 53 ALA HA H 52 3.960 3.982 -0.022 1
1 584 . 12 1 1 A 53 53 ALA C C 52 178.900 179.271 -0.371 1
1 585 . 12 1 1 A 53 53 ALA CA C 52 55.400 55.135 0.265 1
1 586 . 12 1 1 A 53 53 ALA CB C 52 19.200 18.395 0.805 1
1 587 . 12 1 1 A 53 53 ALA N N 52 127.400 123.537 3.863 1
1 588 . 12 1 1 A 54 54 ARG H H 53 8.640 8.696 -0.056 1
1 589 . 12 1 1 A 54 54 ARG HA H 53 3.880 3.948 -0.068 1
1 596 . 12 1 1 A 54 54 ARG C C 53 179.000 178.955 0.045 1
1 597 . 12 1 1 A 54 54 ARG CA C 53 59.700 59.654 0.046 1
1 598 . 12 1 1 A 54 54 ARG CB C 53 29.900 30.210 -0.310 1
1 601 . 12 1 1 A 54 54 ARG N N 53 118.200 117.960 0.240 1
1 602 . 12 1 1 A 55 55 ALA H H 54 7.960 8.163 -0.203 1
1 603 . 12 1 1 A 55 55 ALA HA H 54 4.190 4.039 0.151 1
1 607 . 12 1 1 A 55 55 ALA C C 54 180.100 179.657 0.443 1
1 608 . 12 1 1 A 55 55 ALA CA C 54 55.100 55.143 -0.043 1
1 609 . 12 1 1 A 55 55 ALA CB C 54 17.700 18.087 -0.387 1
1 610 . 12 1 1 A 55 55 ALA N N 54 122.200 121.834 0.366 1
1 611 . 12 1 1 A 56 56 ARG H H 55 7.800 7.710 0.090 1
1 612 . 12 1 1 A 56 56 ARG HA H 55 4.160 4.034 0.126 1
1 619 . 12 1 1 A 56 56 ARG C C 55 178.900 178.973 -0.073 1
1 620 . 12 1 1 A 56 56 ARG CA C 55 58.300 58.999 -0.699 1
1 621 . 12 1 1 A 56 56 ARG CB C 55 29.100 29.970 -0.870 1
1 624 . 12 1 1 A 56 56 ARG N N 55 119.100 118.128 0.972 1
1 625 . 12 1 1 A 57 57 LEU H H 56 8.390 8.430 -0.040 1
1 626 . 12 1 1 A 57 57 LEU HA H 56 4.060 4.039 0.021 1
1 635 . 12 1 1 A 57 57 LEU C C 56 178.100 178.678 -0.578 1
1 636 . 12 1 1 A 57 57 LEU CA C 56 57.800 57.962 -0.162 1
1 637 . 12 1 1 A 57 57 LEU CB C 56 41.600 41.583 0.017 1
1 641 . 12 1 1 A 57 57 LEU N N 56 120.600 121.891 -1.291 1
1 642 . 12 1 1 A 58 58 SER H H 57 8.150 8.036 0.114 1
1 643 . 12 1 1 A 58 58 SER HA H 57 4.210 4.169 0.041 1
1 646 . 12 1 1 A 58 58 SER C C 57 176.500 177.442 -0.942 1
1 647 . 12 1 1 A 58 58 SER CA C 57 61.800 61.474 0.326 1
1 648 . 12 1 1 A 58 58 SER CB C 57 62.600 62.967 -0.367 1
1 649 . 12 1 1 A 58 58 SER N N 57 114.100 114.798 -0.698 1
1 650 . 12 1 1 A 59 59 ASN H H 58 7.700 8.429 -0.729 1
1 651 . 12 1 1 A 59 59 ASN HA H 58 4.580 4.446 0.134 1
1 656 . 12 1 1 A 59 59 ASN C C 58 178.000 177.962 0.038 1
1 657 . 12 1 1 A 59 59 ASN CA C 58 56.200 56.967 -0.767 1
1 658 . 12 1 1 A 59 59 ASN CB C 58 38.700 39.238 -0.538 1
1 659 . 12 1 1 A 59 59 ASN N N 58 119.500 119.816 -0.316 1
1 661 . 12 1 1 A 60 60 LEU H H 59 8.250 8.371 -0.121 1
1 662 . 12 1 1 A 60 60 LEU HA H 59 4.070 4.030 0.040 1
1 671 . 12 1 1 A 60 60 LEU C C 59 178.400 179.573 -1.173 1
1 672 . 12 1 1 A 60 60 LEU CA C 59 57.500 57.840 -0.340 1
1 673 . 12 1 1 A 60 60 LEU CB C 59 42.100 40.904 1.196 1
1 677 . 12 1 1 A 60 60 LEU N N 59 123.000 119.603 3.397 1
1 678 . 12 1 1 A 61 61 ALA H H 60 8.070 7.829 0.241 1
1 679 . 12 1 1 A 61 61 ALA HA H 60 3.910 4.266 -0.356 1
1 683 . 12 1 1 A 61 61 ALA C C 60 178.400 180.613 -2.213 1
1 684 . 12 1 1 A 61 61 ALA CA C 60 54.600 55.073 -0.473 1
1 685 . 12 1 1 A 61 61 ALA CB C 60 18.200 18.510 -0.310 1
1 686 . 12 1 1 A 61 61 ALA N N 60 120.700 122.299 -1.599 1
1 687 . 12 1 1 A 62 62 LEU H H 61 7.170 7.901 -0.731 1
1 688 . 12 1 1 A 62 62 LEU HA H 61 4.200 4.027 0.173 1
1 695 . 12 1 1 A 62 62 LEU C C 61 178.300 178.992 -0.692 1
1 696 . 12 1 1 A 62 62 LEU CA C 61 56.500 57.695 -1.195 1
1 697 . 12 1 1 A 62 62 LEU CB C 61 42.100 41.600 0.500 1
1 701 . 12 1 1 A 62 62 LEU N N 61 113.700 119.960 -6.260 1
1 702 . 12 1 1 A 63 63 VAL H H 62 7.330 7.222 0.108 1
1 703 . 12 1 1 A 63 63 VAL HA H 62 4.380 4.166 0.214 1
1 711 . 12 1 1 A 63 63 VAL C C 62 176.200 175.804 0.396 1
1 712 . 12 1 1 A 63 63 VAL CA C 62 62.800 64.190 -1.390 1
1 713 . 12 1 1 A 63 63 VAL CB C 62 33.900 32.054 1.846 1
1 716 . 12 1 1 A 63 63 VAL N N 62 112.500 113.217 -0.717 1
1 717 . 12 1 1 A 64 64 LYS H H 63 8.710 8.019 0.691 1
1 718 . 12 1 1 A 64 64 LYS HA H 63 5.000 4.692 0.308 1
1 727 . 12 1 1 A 64 64 LYS C C 63 174.200 174.978 -0.778 1
1 728 . 12 1 1 A 64 64 LYS CA C 63 53.600 53.803 -0.203 1
1 729 . 12 1 1 A 64 64 LYS CB C 63 33.400 33.012 0.388 1
1 733 . 12 1 1 A 64 64 LYS N N 63 120.400 120.810 -0.410 1
1 734 . 12 1 1 A 65 65 PRO HA H 64 4.360 4.845 -0.485 1
1 741 . 12 1 1 A 65 65 PRO C C 64 179.400 177.418 1.982 1
1 742 . 12 1 1 A 65 65 PRO CA C 64 66.000 64.515 1.485 1
1 743 . 12 1 1 A 65 65 PRO CB C 64 31.400 31.888 -0.488 1
1 746 . 12 1 1 A 66 66 GLU H H 65 8.920 8.297 0.623 1
1 747 . 12 1 1 A 66 66 GLU HA H 65 4.200 4.083 0.117 1
1 752 . 12 1 1 A 66 66 GLU C C 65 179.600 179.141 0.459 1
1 753 . 12 1 1 A 66 66 GLU CA C 65 59.400 59.559 -0.159 1
1 754 . 12 1 1 A 66 66 GLU CB C 65 28.300 29.551 -1.251 1
1 756 . 12 1 1 A 66 66 GLU N N 65 118.700 118.584 0.116 1
1 757 . 12 1 1 A 67 67 LYS H H 66 8.000 7.653 0.347 1
1 758 . 12 1 1 A 67 67 LYS HA H 66 4.160 4.157 0.003 1
1 767 . 12 1 1 A 67 67 LYS C C 66 178.400 178.972 -0.572 1
1 768 . 12 1 1 A 67 67 LYS CA C 66 58.500 58.797 -0.297 1
1 769 . 12 1 1 A 67 67 LYS CB C 66 32.300 32.087 0.213 1
1 773 . 12 1 1 A 67 67 LYS N N 66 121.300 118.609 2.691 1
1 774 . 12 1 1 A 68 68 THR H H 67 7.960 7.607 0.353 1
1 775 . 12 1 1 A 68 68 THR HA H 67 4.130 3.852 0.278 1
1 780 . 12 1 1 A 68 68 THR C C 67 176.200 176.227 -0.027 1
1 781 . 12 1 1 A 68 68 THR CA C 67 67.800 67.139 0.661 1
1 782 . 12 1 1 A 68 68 THR CB C 67 67.800 68.422 -0.622 1
1 784 . 12 1 1 A 68 68 THR N N 67 114.200 116.750 -2.550 1
1 785 . 12 1 1 A 69 69 LYS H H 68 7.770 8.454 -0.684 1
1 786 . 12 1 1 A 69 69 LYS HA H 68 3.990 4.136 -0.146 1
1 795 . 12 1 1 A 69 69 LYS C C 68 178.100 179.170 -1.070 1
1 796 . 12 1 1 A 69 69 LYS CA C 68 59.400 59.339 0.061 1
1 797 . 12 1 1 A 69 69 LYS CB C 68 31.700 32.318 -0.618 1
1 801 . 12 1 1 A 69 69 LYS N N 68 122.000 119.944 2.056 1
1 802 . 12 1 1 A 70 70 ALA H H 69 7.480 7.923 -0.443 1
1 803 . 12 1 1 A 70 70 ALA HA H 69 4.240 4.056 0.184 1
1 807 . 12 1 1 A 70 70 ALA C C 69 181.200 179.744 1.456 1
1 808 . 12 1 1 A 70 70 ALA CA C 69 55.200 55.089 0.111 1
1 809 . 12 1 1 A 70 70 ALA CB C 69 17.900 18.466 -0.566 1
1 810 . 12 1 1 A 70 70 ALA N N 69 120.300 122.679 -2.379 1
1 811 . 12 1 1 A 71 71 VAL H H 70 8.160 8.112 0.048 1
1 812 . 12 1 1 A 71 71 VAL HA H 70 3.620 3.800 -0.180 1
1 820 . 12 1 1 A 71 71 VAL C C 70 177.400 178.100 -0.700 1
1 821 . 12 1 1 A 71 71 VAL CA C 70 66.600 65.162 1.438 1
1 822 . 12 1 1 A 71 71 VAL CB C 70 31.500 31.551 -0.051 1
1 825 . 12 1 1 A 71 71 VAL N N 70 120.300 116.182 4.118 1
1 826 . 12 1 1 A 72 72 GLU H H 71 8.690 9.008 -0.318 1
1 827 . 12 1 1 A 72 72 GLU HA H 71 3.800 3.957 -0.157 1
1 832 . 12 1 1 A 72 72 GLU C C 71 178.000 178.995 -0.995 1
1 833 . 12 1 1 A 72 72 GLU CA C 71 60.400 59.862 0.538 1
1 834 . 12 1 1 A 72 72 GLU CB C 71 29.200 29.221 -0.021 1
1 836 . 12 1 1 A 72 72 GLU N N 71 119.300 122.213 -2.913 1
1 837 . 12 1 1 A 73 73 ASN H H 72 8.460 7.983 0.477 1
1 838 . 12 1 1 A 73 73 ASN HA H 72 4.440 4.418 0.022 1
1 843 . 12 1 1 A 73 73 ASN C C 72 177.600 177.129 0.471 1
1 844 . 12 1 1 A 73 73 ASN CA C 72 56.200 56.196 0.004 1
1 845 . 12 1 1 A 73 73 ASN CB C 72 37.600 39.252 -1.652 1
1 846 . 12 1 1 A 73 73 ASN N N 72 115.900 118.464 -2.564 1
1 848 . 12 1 1 A 74 74 TYR H H 73 7.940 7.901 0.039 1
1 849 . 12 1 1 A 74 74 TYR HA H 73 4.200 4.237 -0.037 1
1 856 . 12 1 1 A 74 74 TYR C C 73 177.600 177.025 0.575 1
1 857 . 12 1 1 A 74 74 TYR CA C 73 61.500 61.384 0.116 1
1 858 . 12 1 1 A 74 74 TYR CB C 73 38.400 38.845 -0.445 1
1 863 . 12 1 1 A 74 74 TYR N N 73 122.400 120.562 1.838 1
1 864 . 12 1 1 A 75 75 LEU H H 74 8.410 8.883 -0.473 1
1 865 . 12 1 1 A 75 75 LEU HA H 74 3.930 3.982 -0.052 1
1 875 . 12 1 1 A 75 75 LEU C C 74 178.500 179.143 -0.643 1
1 876 . 12 1 1 A 75 75 LEU CA C 74 58.100 57.877 0.223 1
1 877 . 12 1 1 A 75 75 LEU CB C 74 42.600 41.394 1.206 1
1 881 . 12 1 1 A 75 75 LEU N N 74 119.500 120.234 -0.734 1
1 882 . 12 1 1 A 76 76 ILE H H 75 8.400 8.488 -0.088 1
1 883 . 12 1 1 A 76 76 ILE HA H 75 3.570 3.468 0.102 1
1 890 . 12 1 1 A 76 76 ILE C C 75 178.100 178.153 -0.053 1
1 891 . 12 1 1 A 76 76 ILE CA C 75 65.200 65.285 -0.085 1
1 892 . 12 1 1 A 76 76 ILE CB C 75 37.800 37.622 0.178 1
1 896 . 12 1 1 A 76 76 ILE N N 75 118.600 119.650 -1.050 1
1 897 . 12 1 1 A 77 77 GLN H H 76 7.830 8.038 -0.208 1
1 898 . 12 1 1 A 77 77 GLN HA H 76 3.920 3.679 0.241 1
1 903 . 12 1 1 A 77 77 GLN C C 76 178.100 177.574 0.526 1
1 904 . 12 1 1 A 77 77 GLN CA C 76 59.100 58.603 0.497 1
1 905 . 12 1 1 A 77 77 GLN CB C 76 28.000 27.981 0.019 1
1 907 . 12 1 1 A 77 77 GLN N N 76 119.300 120.500 -1.200 1
1 908 . 12 1 1 A 78 78 MET H H 77 8.060 8.212 -0.152 1
1 909 . 12 1 1 A 78 78 MET HA H 77 4.040 3.991 0.049 1
1 912 . 12 1 1 A 78 78 MET C C 77 178.700 177.954 0.746 1
1 913 . 12 1 1 A 78 78 MET CA C 77 58.600 58.446 0.154 1
1 914 . 12 1 1 A 78 78 MET CB C 77 33.000 32.180 0.820 1
1 916 . 12 1 1 A 78 78 MET N N 77 117.600 118.589 -0.989 1
1 917 . 12 1 1 A 79 79 ALA H H 78 8.210 8.184 0.026 1
1 918 . 12 1 1 A 79 79 ALA HA H 78 4.190 4.057 0.133 1
1 922 . 12 1 1 A 79 79 ALA C C 78 180.600 180.135 0.465 1
1 923 . 12 1 1 A 79 79 ALA CA C 78 54.100 54.891 -0.791 1
1 924 . 12 1 1 A 79 79 ALA CB C 78 18.400 18.089 0.311 1
1 925 . 12 1 1 A 79 79 ALA N N 78 121.400 121.361 0.039 1
1 926 . 12 1 1 A 80 80 ARG H H 79 8.120 7.974 0.146 1
1 927 . 12 1 1 A 80 80 ARG HA H 79 3.960 4.015 -0.055 1
1 934 . 12 1 1 A 80 80 ARG C C 79 177.900 178.653 -0.753 1
1 935 . 12 1 1 A 80 80 ARG CA C 79 58.800 58.587 0.213 1
1 936 . 12 1 1 A 80 80 ARG CB C 79 29.900 29.546 0.354 1
1 939 . 12 1 1 A 80 80 ARG N N 79 119.100 119.858 -0.758 1
1 940 . 12 1 1 A 81 81 TYR H H 80 7.800 7.173 0.627 1
1 941 . 12 1 1 A 81 81 TYR HA H 80 4.710 4.518 0.192 1
1 948 . 12 1 1 A 81 81 TYR C C 80 176.500 176.295 0.205 1
1 949 . 12 1 1 A 81 81 TYR CA C 80 57.500 58.912 -1.412 1
1 950 . 12 1 1 A 81 81 TYR CB C 80 38.100 38.723 -0.623 1
1 955 . 12 1 1 A 81 81 TYR N N 80 115.900 116.433 -0.533 1
1 956 . 12 1 1 A 82 82 GLY H H 81 7.850 7.935 -0.085 1
1 957 . 12 1 1 A 82 82 GLY HA2 H 81 4.030 3.942 0.088 1
1 958 . 12 1 1 A 82 82 GLY HA3 H 81 4.030 3.951 0.079 1
1 959 . 12 1 1 A 82 82 GLY C C 81 174.900 175.258 -0.358 1
1 960 . 12 1 1 A 82 82 GLY CA C 81 46.300 46.607 -0.307 1
1 961 . 12 1 1 A 82 82 GLY N N 81 108.500 108.609 -0.109 1
1 962 . 12 1 1 A 83 83 GLN H H 82 8.200 7.767 0.433 1
1 963 . 12 1 1 A 83 83 GLN HA H 82 4.310 4.374 -0.064 1
1 968 . 12 1 1 A 83 83 GLN C C 82 175.500 175.239 0.261 1
1 969 . 12 1 1 A 83 83 GLN CA C 82 55.700 55.743 -0.043 1
1 970 . 12 1 1 A 83 83 GLN CB C 82 29.400 28.619 0.781 1
1 972 . 12 1 1 A 83 83 GLN N N 82 116.900 117.704 -0.804 1
1 973 . 12 1 1 A 84 84 LEU H H 83 7.990 7.359 0.631 1
1 974 . 12 1 1 A 84 84 LEU HA H 83 4.610 4.606 0.004 1
1 984 . 12 1 1 A 84 84 LEU C C 83 176.500 177.055 -0.555 1
1 985 . 12 1 1 A 84 84 LEU CA C 83 54.300 53.799 0.501 1
1 986 . 12 1 1 A 84 84 LEU CB C 83 42.600 42.484 0.116 1
1 990 . 12 1 1 A 84 84 LEU N N 83 121.400 118.624 2.776 1
1 991 . 12 1 1 A 85 85 SER H H 84 8.630 8.839 -0.209 1
1 992 . 12 1 1 A 85 85 SER HA H 84 4.410 4.582 -0.172 1
1 995 . 12 1 1 A 85 85 SER C C 84 173.700 174.719 -1.019 1
1 996 . 12 1 1 A 85 85 SER CA C 84 59.400 60.077 -0.677 1
1 997 . 12 1 1 A 85 85 SER CB C 84 63.900 64.178 -0.278 1
1 998 . 12 1 1 A 85 85 SER N N 84 118.400 118.574 -0.174 1
1 999 . 12 1 1 A 86 86 GLU H H 85 7.690 7.742 -0.052 1
1 1000 . 12 1 1 A 86 86 GLU HA H 85 4.530 4.730 -0.200 1
1 1005 . 12 1 1 A 86 86 GLU C C 85 175.400 175.701 -0.301 1
1 1006 . 12 1 1 A 86 86 GLU CA C 85 54.900 54.716 0.184 1
1 1007 . 12 1 1 A 86 86 GLU CB C 85 31.200 33.099 -1.899 1
1 1009 . 12 1 1 A 86 86 GLU N N 85 119.400 118.602 0.798 1
1 1010 . 12 1 1 A 87 87 LYS H H 86 8.380 8.217 0.163 1
1 1011 . 12 1 1 A 87 87 LYS HA H 86 4.230 4.492 -0.262 1
1 1018 . 12 1 1 A 87 87 LYS C C 86 176.900 177.426 -0.526 1
1 1019 . 12 1 1 A 87 87 LYS CA C 86 57.000 56.092 0.908 1
1 1020 . 12 1 1 A 87 87 LYS CB C 86 33.300 33.040 0.260 1
1 1024 . 12 1 1 A 87 87 LYS N N 86 120.400 121.403 -1.003 1
1 1025 . 12 1 1 A 88 88 VAL H H 87 8.960 9.118 -0.158 1
1 1026 . 12 1 1 A 88 88 VAL HA H 87 3.970 4.115 -0.145 1
1 1034 . 12 1 1 A 88 88 VAL C C 87 174.700 176.855 -2.155 1
1 1035 . 12 1 1 A 88 88 VAL CA C 87 63.300 63.348 -0.048 1
1 1036 . 12 1 1 A 88 88 VAL CB C 87 32.400 31.395 1.005 1
1 1038 . 12 1 1 A 88 88 VAL N N 87 125.200 122.981 2.219 1
1 1039 . 12 1 1 A 89 89 SER H H 88 8.190 8.635 -0.445 1
1 1040 . 12 1 1 A 89 89 SER HA H 88 4.990 4.772 0.218 1
1 1043 . 12 1 1 A 89 89 SER C C 88 175.700 175.555 0.145 1
1 1044 . 12 1 1 A 89 89 SER CA C 88 56.200 57.047 -0.847 1
1 1045 . 12 1 1 A 89 89 SER CB C 88 66.600 65.621 0.979 1
1 1046 . 12 1 1 A 89 89 SER N N 88 121.700 122.680 -0.980 1
1 1047 . 12 1 1 A 90 90 GLU H H 89 9.230 8.944 0.286 1
1 1048 . 12 1 1 A 90 90 GLU HA H 89 3.720 4.002 -0.282 1
1 1053 . 12 1 1 A 90 90 GLU C C 89 177.700 178.403 -0.703 1
1 1054 . 12 1 1 A 90 90 GLU CA C 89 61.200 59.851 1.349 1
1 1055 . 12 1 1 A 90 90 GLU CB C 89 29.100 29.566 -0.466 1
1 1057 . 12 1 1 A 90 90 GLU N N 89 121.600 120.456 1.144 1
1 1058 . 12 1 1 A 91 91 GLN H H 90 8.430 8.208 0.222 1
1 1059 . 12 1 1 A 91 91 GLN HA H 90 4.040 4.048 -0.008 1
1 1066 . 12 1 1 A 91 91 GLN C C 90 178.900 179.513 -0.613 1
1 1067 . 12 1 1 A 91 91 GLN CA C 90 59.100 58.832 0.268 1
1 1068 . 12 1 1 A 91 91 GLN CB C 90 27.800 28.454 -0.654 1
1 1070 . 12 1 1 A 91 91 GLN N N 90 117.100 118.398 -1.298 1
1 1072 . 12 1 1 A 92 92 GLY H H 91 8.080 8.360 -0.280 1
1 1073 . 12 1 1 A 92 92 GLY HA2 H 91 3.890 3.699 0.191 1
1 1074 . 12 1 1 A 92 92 GLY HA3 H 91 3.890 3.705 0.185 1
1 1075 . 12 1 1 A 92 92 GLY C C 91 176.600 175.900 0.700 1
1 1076 . 12 1 1 A 92 92 GLY CA C 91 46.900 47.363 -0.463 1
1 1077 . 12 1 1 A 92 92 GLY N N 91 109.400 109.926 -0.526 1
1 1078 . 12 1 1 A 93 93 LEU H H 92 8.610 8.446 0.164 1
1 1079 . 12 1 1 A 93 93 LEU HA H 92 4.000 4.174 -0.174 1
1 1089 . 12 1 1 A 93 93 LEU C C 92 178.000 178.543 -0.543 1
1 1090 . 12 1 1 A 93 93 LEU CA C 92 57.500 57.105 0.395 1
1 1091 . 12 1 1 A 93 93 LEU CB C 92 41.800 41.510 0.290 1
1 1095 . 12 1 1 A 93 93 LEU N N 92 123.700 122.390 1.310 1
1 1096 . 12 1 1 A 94 94 ILE H H 93 7.970 8.355 -0.385 1
1 1097 . 12 1 1 A 94 94 ILE HA H 93 3.640 3.612 0.028 1
1 1107 . 12 1 1 A 94 94 ILE C C 93 178.500 178.182 0.318 1
1 1108 . 12 1 1 A 94 94 ILE CA C 93 64.800 64.721 0.079 1
1 1109 . 12 1 1 A 94 94 ILE CB C 93 37.100 37.003 0.097 1
1 1113 . 12 1 1 A 94 94 ILE N N 93 119.900 120.109 -0.209 1
1 1114 . 12 1 1 A 95 95 GLU H H 94 7.610 8.177 -0.567 1
1 1115 . 12 1 1 A 95 95 GLU HA H 94 4.090 4.032 0.058 1
1 1120 . 12 1 1 A 95 95 GLU C C 94 179.400 180.146 -0.746 1
1 1121 . 12 1 1 A 95 95 GLU CA C 94 59.200 59.286 -0.086 1
1 1122 . 12 1 1 A 95 95 GLU CB C 94 28.800 29.398 -0.598 1
1 1124 . 12 1 1 A 95 95 GLU N N 94 118.800 121.678 -2.878 1
1 1125 . 12 1 1 A 96 96 ILE H H 95 7.840 7.665 0.175 1
1 1126 . 12 1 1 A 96 96 ILE HA H 95 3.520 3.508 0.012 1
1 1136 . 12 1 1 A 96 96 ILE C C 95 177.500 178.104 -0.604 1
1 1137 . 12 1 1 A 96 96 ILE CA C 95 65.500 64.729 0.771 1
1 1138 . 12 1 1 A 96 96 ILE CB C 95 37.900 37.204 0.696 1
1 1142 . 12 1 1 A 96 96 ILE N N 95 121.600 120.909 0.691 1
1 1143 . 12 1 1 A 97 97 LEU H H 96 8.620 8.384 0.236 1
1 1144 . 12 1 1 A 97 97 LEU HA H 96 3.800 3.995 -0.195 1
1 1151 . 12 1 1 A 97 97 LEU C C 96 179.400 178.194 1.206 1
1 1152 . 12 1 1 A 97 97 LEU CA C 96 58.600 58.443 0.157 1
1 1153 . 12 1 1 A 97 97 LEU CB C 96 41.500 41.617 -0.117 1
1 1156 . 12 1 1 A 97 97 LEU N N 96 120.400 121.706 -1.306 1
1 1157 . 12 1 1 A 98 98 LYS H H 97 7.750 8.405 -0.655 1
1 1158 . 12 1 1 A 98 98 LYS HA H 97 3.990 4.110 -0.120 1
1 1167 . 12 1 1 A 98 98 LYS C C 97 178.600 178.087 0.513 1
1 1168 . 12 1 1 A 98 98 LYS CA C 97 59.400 59.184 0.216 1
1 1169 . 12 1 1 A 98 98 LYS CB C 97 32.300 31.954 0.346 1
1 1172 . 12 1 1 A 98 98 LYS N N 97 119.000 117.535 1.465 1
1 1173 . 12 1 1 A 99 99 LYS H H 98 7.710 7.816 -0.106 1
1 1174 . 12 1 1 A 99 99 LYS HA H 98 4.110 3.989 0.121 1
1 1183 . 12 1 1 A 99 99 LYS C C 98 179.100 178.182 0.918 1
1 1184 . 12 1 1 A 99 99 LYS CA C 98 59.100 58.996 0.104 1
1 1185 . 12 1 1 A 99 99 LYS CB C 98 32.500 31.825 0.675 1
1 1189 . 12 1 1 A 99 99 LYS N N 98 119.500 119.433 0.067 1
1 1190 . 12 1 1 A 100 100 VAL H H 99 8.210 7.532 0.678 1
1 1191 . 12 1 1 A 100 100 VAL HA H 99 3.920 4.231 -0.311 1
1 1196 . 12 1 1 A 100 100 VAL C C 99 177.600 177.827 -0.227 1
1 1197 . 12 1 1 A 100 100 VAL CA C 99 64.200 64.556 -0.356 1
1 1198 . 12 1 1 A 100 100 VAL CB C 99 31.500 31.380 0.120 1
1 1200 . 12 1 1 A 100 100 VAL N N 99 115.800 116.426 -0.626 1
1 1201 . 12 1 1 A 101 101 SER H H 100 7.900 8.042 -0.142 1
1 1202 . 12 1 1 A 101 101 SER HA H 100 4.340 4.085 0.255 1
1 1205 . 12 1 1 A 101 101 SER C C 100 174.600 175.975 -1.375 1
1 1206 . 12 1 1 A 101 101 SER CA C 100 60.400 61.366 -0.966 1
1 1207 . 12 1 1 A 101 101 SER CB C 100 63.600 63.099 0.501 1
1 1208 . 12 1 1 A 101 101 SER N N 100 116.500 117.370 -0.870 1
1 1209 . 12 1 1 A 102 102 GLN H H 101 7.860 7.514 0.346 1
1 1210 . 12 1 1 A 102 102 GLN HA H 101 4.280 4.369 -0.089 1
1 1215 . 12 1 1 A 102 102 GLN C C 101 176.400 175.495 0.905 1
1 1216 . 12 1 1 A 102 102 GLN CA C 101 56.800 56.947 -0.147 1
1 1217 . 12 1 1 A 102 102 GLN CB C 101 28.900 30.109 -1.209 1
1 1219 . 12 1 1 A 102 102 GLN N N 101 120.100 118.020 2.080 1
1 1220 . 12 1 1 A 103 103 GLN H H 102 8.080 7.895 0.185 1
1 1221 . 12 1 1 A 103 103 GLN HA H 102 4.360 4.675 -0.315 1
1 1226 . 12 1 1 A 103 103 GLN C C 102 176.500 175.481 1.019 1
1 1227 . 12 1 1 A 103 103 GLN CA C 102 56.700 55.269 1.431 1
1 1228 . 12 1 1 A 103 103 GLN CB C 102 29.000 29.935 -0.935 1
1 1230 . 12 1 1 A 103 103 GLN N N 102 119.700 116.201 3.499 1
1 1231 . 12 1 1 A 104 104 THR H H 103 8.070 8.035 0.035 1
1 1232 . 12 1 1 A 104 104 THR HA H 103 4.350 4.559 -0.209 1
1 1237 . 12 1 1 A 104 104 THR C C 103 174.700 174.579 0.121 1
1 1238 . 12 1 1 A 104 104 THR CA C 103 62.500 63.694 -1.194 1
1 1239 . 12 1 1 A 104 104 THR CB C 103 69.800 70.951 -1.151 1
1 1241 . 12 1 1 A 104 104 THR N N 103 113.900 114.621 -0.721 1
1 1242 . 12 1 1 A 105 105 GLU H H 104 8.290 7.791 0.499 1
1 1243 . 12 1 1 A 105 105 GLU HA H 104 4.350 4.751 -0.401 1
1 1248 . 12 1 1 A 105 105 GLU C C 104 176.300 174.733 1.567 1
1 1249 . 12 1 1 A 105 105 GLU CA C 104 56.700 56.212 0.488 1
1 1250 . 12 1 1 A 105 105 GLU CB C 104 29.900 33.316 -3.416 1
1 1252 . 12 1 1 A 105 105 GLU N N 104 122.900 116.330 6.570 1
1 1253 . 12 1 1 A 106 106 LYS H H 105 8.320 8.637 -0.317 1
1 1254 . 12 1 1 A 106 106 LYS HA H 105 4.390 4.444 -0.054 1
1 1263 . 12 1 1 A 106 106 LYS C C 105 176.800 175.689 1.111 1
1 1264 . 12 1 1 A 106 106 LYS CA C 105 56.700 56.992 -0.292 1
1 1265 . 12 1 1 A 106 106 LYS CB C 105 32.800 34.257 -1.457 1
1 1269 . 12 1 1 A 106 106 LYS N N 105 121.900 122.891 -0.991 1
1 1270 . 12 1 1 A 107 107 THR H H 106 8.150 8.061 0.089 1
1 1271 . 12 1 1 A 107 107 THR HA H 106 4.430 4.636 -0.206 1
1 1276 . 12 1 1 A 107 107 THR C C 106 174.600 173.093 1.507 1
1 1277 . 12 1 1 A 107 107 THR CA C 106 62.000 59.991 2.009 1
1 1278 . 12 1 1 A 107 107 THR CB C 106 70.000 69.032 0.968 1
1 1280 . 12 1 1 A 107 107 THR N N 106 115.000 109.970 5.030 1
1 1281 . 12 1 1 A 108 108 THR H H 107 8.190 8.795 -0.605 1
1 1282 . 12 1 1 A 108 108 THR HA H 107 4.440 4.586 -0.146 1
1 1287 . 12 1 1 A 108 108 THR C C 107 174.500 173.574 0.926 1
1 1288 . 12 1 1 A 108 108 THR CA C 107 62.000 62.099 -0.099 1
1 1289 . 12 1 1 A 108 108 THR CB C 107 69.800 67.418 2.382 1
1 1291 . 12 1 1 A 108 108 THR N N 107 116.500 122.403 -5.903 1
1 1292 . 12 1 1 A 109 109 THR H H 108 8.170 8.355 -0.185 1
1 1293 . 12 1 1 A 109 109 THR HA H 108 4.350 4.863 -0.513 1
1 1298 . 12 1 1 A 109 109 THR C C 108 174.200 173.057 1.143 1
1 1299 . 12 1 1 A 109 109 THR CA C 108 62.000 61.700 0.300 1
1 1300 . 12 1 1 A 109 109 THR CB C 108 69.800 71.073 -1.273 1
1 1302 . 12 1 1 A 109 109 THR N N 108 117.200 120.808 -3.608 1
1 1303 . 12 1 1 A 110 110 VAL H H 109 8.100 8.826 -0.726 1
1 1304 . 12 1 1 A 110 110 VAL HA H 109 4.040 4.214 -0.174 1
1 1312 . 12 1 1 A 110 110 VAL C C 109 175.200 174.224 0.976 1
1 1313 . 12 1 1 A 110 110 VAL CA C 109 62.300 62.247 0.053 1
1 1314 . 12 1 1 A 110 110 VAL CB C 109 32.600 31.588 1.012 1
1 1316 . 12 1 1 A 110 110 VAL N N 109 123.100 127.801 -4.701 1
1 1317 . 12 1 1 A 111 111 LYS H H 110 8.200 8.711 -0.511 1
1 1318 . 12 1 1 A 111 111 LYS HA H 110 4.310 4.807 -0.497 1
1 1327 . 12 1 1 A 111 111 LYS C C 110 175.700 174.937 0.763 1
1 1328 . 12 1 1 A 111 111 LYS CA C 110 55.700 54.491 1.209 1
1 1329 . 12 1 1 A 111 111 LYS CB C 110 33.300 33.968 -0.668 1
1 1333 . 12 1 1 A 111 111 LYS N N 110 125.200 128.760 -3.560 1
1 1334 . 12 1 1 A 112 112 PHE H H 111 8.310 8.961 -0.651 1
1 1335 . 12 1 1 A 112 112 PHE HA H 111 4.650 4.833 -0.183 1
1 1338 . 12 1 1 A 112 112 PHE C C 111 174.500 174.838 -0.338 1
1 1339 . 12 1 1 A 112 112 PHE CA C 111 57.500 56.936 0.564 1
1 1340 . 12 1 1 A 112 112 PHE CB C 111 39.700 38.072 1.628 1
1 1341 . 12 1 1 A 112 112 PHE N N 111 122.100 127.302 -5.202 1
1 1 . 13 1 1 A 2 2 SER H H 1 8.780 8.264 0.516 1
1 2 . 13 1 1 A 2 2 SER HA H 1 4.480 4.689 -0.209 1
1 5 . 13 1 1 A 2 2 SER C C 1 175.000 174.398 0.602 1
1 6 . 13 1 1 A 2 2 SER CA C 1 59.100 57.764 1.336 1
1 7 . 13 1 1 A 2 2 SER CB C 1 63.900 61.429 2.471 1
1 8 . 13 1 1 A 2 2 SER N N 1 116.600 119.817 -3.217 1
1 9 . 13 1 1 A 3 3 ALA H H 2 8.710 8.139 0.571 1
1 10 . 13 1 1 A 3 3 ALA HA H 2 4.310 3.995 0.315 1
1 14 . 13 1 1 A 3 3 ALA C C 2 178.800 179.456 -0.656 1
1 15 . 13 1 1 A 3 3 ALA CA C 2 53.800 55.595 -1.795 1
1 16 . 13 1 1 A 3 3 ALA CB C 2 18.500 18.358 0.142 1
1 17 . 13 1 1 A 3 3 ALA N N 2 125.500 129.763 -4.263 1
1 18 . 13 1 1 A 4 4 ASP H H 3 8.190 8.254 -0.064 1
1 19 . 13 1 1 A 4 4 ASP HA H 3 4.500 4.357 0.143 1
1 22 . 13 1 1 A 4 4 ASP C C 3 177.700 178.634 -0.934 1
1 23 . 13 1 1 A 4 4 ASP CA C 3 55.900 57.094 -1.194 1
1 24 . 13 1 1 A 4 4 ASP CB C 3 40.500 40.060 0.440 1
1 25 . 13 1 1 A 4 4 ASP N N 3 117.800 118.541 -0.741 1
1 26 . 13 1 1 A 5 5 GLU H H 4 8.150 8.301 -0.151 1
1 27 . 13 1 1 A 5 5 GLU HA H 4 4.140 4.031 0.109 1
1 32 . 13 1 1 A 5 5 GLU C C 4 178.600 179.173 -0.573 1
1 33 . 13 1 1 A 5 5 GLU CA C 4 58.600 59.546 -0.946 1
1 34 . 13 1 1 A 5 5 GLU CB C 4 29.100 29.200 -0.100 1
1 36 . 13 1 1 A 5 5 GLU N N 4 120.800 120.192 0.608 1
1 37 . 13 1 1 A 6 6 GLU H H 5 8.250 8.398 -0.148 1
1 38 . 13 1 1 A 6 6 GLU HA H 5 4.200 4.045 0.155 1
1 43 . 13 1 1 A 6 6 GLU C C 5 178.300 179.202 -0.902 1
1 44 . 13 1 1 A 6 6 GLU CA C 5 58.600 59.259 -0.659 1
1 45 . 13 1 1 A 6 6 GLU CB C 5 28.800 29.430 -0.630 1
1 47 . 13 1 1 A 6 6 GLU N N 5 120.800 119.825 0.975 1
1 48 . 13 1 1 A 7 7 LEU H H 6 7.990 8.235 -0.245 1
1 49 . 13 1 1 A 7 7 LEU HA H 6 4.170 4.094 0.076 1
1 58 . 13 1 1 A 7 7 LEU C C 6 179.500 178.254 1.246 1
1 59 . 13 1 1 A 7 7 LEU CA C 6 57.500 57.708 -0.208 1
1 60 . 13 1 1 A 7 7 LEU CB C 6 41.600 41.277 0.323 1
1 64 . 13 1 1 A 7 7 LEU N N 6 120.900 121.702 -0.802 1
1 65 . 13 1 1 A 8 8 GLU H H 7 8.130 8.863 -0.733 1
1 66 . 13 1 1 A 8 8 GLU HA H 7 4.160 3.944 0.216 1
1 71 . 13 1 1 A 8 8 GLU C C 7 178.300 178.371 -0.071 1
1 72 . 13 1 1 A 8 8 GLU CA C 7 58.800 59.783 -0.983 1
1 73 . 13 1 1 A 8 8 GLU CB C 7 28.800 28.980 -0.180 1
1 75 . 13 1 1 A 8 8 GLU N N 7 120.100 119.349 0.751 1
1 76 . 13 1 1 A 9 9 ALA H H 8 8.030 8.150 -0.120 1
1 77 . 13 1 1 A 9 9 ALA HA H 8 4.090 4.096 -0.006 1
1 81 . 13 1 1 A 9 9 ALA C C 8 180.500 179.912 0.588 1
1 82 . 13 1 1 A 9 9 ALA CA C 8 55.100 55.292 -0.192 1
1 83 . 13 1 1 A 9 9 ALA CB C 8 17.900 18.009 -0.109 1
1 84 . 13 1 1 A 9 9 ALA N N 8 122.100 122.458 -0.358 1
1 85 . 13 1 1 A 10 10 LEU H H 9 7.890 7.789 0.101 1
1 86 . 13 1 1 A 10 10 LEU HA H 9 4.160 4.075 0.085 1
1 95 . 13 1 1 A 10 10 LEU C C 9 179.200 178.369 0.831 1
1 96 . 13 1 1 A 10 10 LEU CA C 9 57.500 57.523 -0.023 1
1 97 . 13 1 1 A 10 10 LEU CB C 9 41.800 41.765 0.035 1
1 101 . 13 1 1 A 10 10 LEU N N 9 119.500 119.745 -0.245 1
1 102 . 13 1 1 A 11 11 ARG H H 10 8.080 8.451 -0.371 1
1 103 . 13 1 1 A 11 11 ARG HA H 10 4.010 3.827 0.183 1
1 110 . 13 1 1 A 11 11 ARG C C 10 178.900 178.915 -0.015 1
1 111 . 13 1 1 A 11 11 ARG CA C 10 59.400 59.833 -0.433 1
1 112 . 13 1 1 A 11 11 ARG CB C 10 30.100 29.832 0.268 1
1 115 . 13 1 1 A 11 11 ARG N N 10 120.400 119.077 1.323 1
1 116 . 13 1 1 A 12 12 ARG H H 11 8.170 8.622 -0.452 1
1 117 . 13 1 1 A 12 12 ARG HA H 11 4.040 4.036 0.004 1
1 124 . 13 1 1 A 12 12 ARG C C 11 178.900 178.636 0.264 1
1 125 . 13 1 1 A 12 12 ARG CA C 11 59.300 59.728 -0.428 1
1 126 . 13 1 1 A 12 12 ARG CB C 11 30.000 29.959 0.041 1
1 129 . 13 1 1 A 12 12 ARG N N 11 118.400 118.746 -0.346 1
1 130 . 13 1 1 A 13 13 GLN H H 12 8.060 7.781 0.279 1
1 131 . 13 1 1 A 13 13 GLN HA H 12 4.150 4.018 0.132 1
1 136 . 13 1 1 A 13 13 GLN C C 12 177.900 178.091 -0.191 1
1 137 . 13 1 1 A 13 13 GLN CA C 12 58.600 58.911 -0.311 1
1 138 . 13 1 1 A 13 13 GLN CB C 12 28.500 28.568 -0.068 1
1 140 . 13 1 1 A 13 13 GLN N N 12 120.400 119.528 0.872 1
1 141 . 13 1 1 A 14 14 ARG H H 13 8.180 8.286 -0.106 1
1 142 . 13 1 1 A 14 14 ARG HA H 13 4.160 4.189 -0.029 1
1 149 . 13 1 1 A 14 14 ARG C C 13 178.600 178.588 0.012 1
1 150 . 13 1 1 A 14 14 ARG CA C 13 58.600 58.364 0.236 1
1 151 . 13 1 1 A 14 14 ARG CB C 13 29.900 29.953 -0.053 1
1 154 . 13 1 1 A 14 14 ARG N N 13 119.900 120.367 -0.467 1
1 155 . 13 1 1 A 15 15 LEU H H 14 7.980 8.703 -0.723 1
1 156 . 13 1 1 A 15 15 LEU HA H 14 4.180 4.054 0.126 1
1 165 . 13 1 1 A 15 15 LEU C C 14 178.800 179.427 -0.627 1
1 166 . 13 1 1 A 15 15 LEU CA C 14 57.300 57.663 -0.363 1
1 167 . 13 1 1 A 15 15 LEU CB C 14 41.700 40.685 1.015 1
1 171 . 13 1 1 A 15 15 LEU N N 14 119.900 119.669 0.231 1
1 172 . 13 1 1 A 16 16 ALA H H 15 7.930 7.775 0.155 1
1 173 . 13 1 1 A 16 16 ALA HA H 15 4.190 3.991 0.199 1
1 177 . 13 1 1 A 16 16 ALA C C 15 180.100 178.479 1.621 1
1 178 . 13 1 1 A 16 16 ALA CA C 15 54.500 54.701 -0.201 1
1 179 . 13 1 1 A 16 16 ALA CB C 15 18.000 17.902 0.098 1
1 180 . 13 1 1 A 16 16 ALA N N 15 122.000 122.158 -0.158 1
1 181 . 13 1 1 A 17 17 GLU H H 16 8.010 7.452 0.558 1
1 182 . 13 1 1 A 17 17 GLU HA H 16 4.160 4.190 -0.030 1
1 187 . 13 1 1 A 17 17 GLU C C 16 178.100 178.809 -0.709 1
1 188 . 13 1 1 A 17 17 GLU CA C 16 58.100 58.435 -0.335 1
1 189 . 13 1 1 A 17 17 GLU CB C 16 28.900 29.412 -0.512 1
1 191 . 13 1 1 A 17 17 GLU N N 16 118.500 117.138 1.362 1
1 192 . 13 1 1 A 18 18 LEU H H 17 7.890 7.688 0.202 1
1 193 . 13 1 1 A 18 18 LEU HA H 17 4.200 4.122 0.078 1
1 203 . 13 1 1 A 18 18 LEU C C 17 178.700 177.211 1.489 1
1 204 . 13 1 1 A 18 18 LEU CA C 17 56.900 57.407 -0.507 1
1 205 . 13 1 1 A 18 18 LEU CB C 17 42.100 42.701 -0.601 1
1 209 . 13 1 1 A 18 18 LEU N N 17 120.400 122.206 -1.806 1
1 210 . 13 1 1 A 19 19 GLN H H 18 8.020 7.884 0.136 1
1 211 . 13 1 1 A 19 19 GLN HA H 18 4.200 4.462 -0.262 1
1 216 . 13 1 1 A 19 19 GLN C C 18 176.700 175.911 0.789 1
1 217 . 13 1 1 A 19 19 GLN CA C 18 56.900 54.890 2.010 1
1 218 . 13 1 1 A 19 19 GLN CB C 18 28.800 30.457 -1.657 1
1 220 . 13 1 1 A 19 19 GLN N N 18 118.500 115.875 2.625 1
1 221 . 13 1 1 A 20 20 ALA H H 19 7.850 8.423 -0.573 1
1 222 . 13 1 1 A 20 20 ALA HA H 19 4.240 3.973 0.267 1
1 226 . 13 1 1 A 20 20 ALA C C 19 178.000 176.823 1.177 1
1 227 . 13 1 1 A 20 20 ALA CA C 19 53.100 54.151 -1.051 1
1 228 . 13 1 1 A 20 20 ALA CB C 19 18.700 17.747 0.953 1
1 229 . 13 1 1 A 20 20 ALA N N 19 122.700 121.563 1.137 1
1 230 . 13 1 1 A 21 21 LYS H H 20 7.950 8.254 -0.304 1
1 231 . 13 1 1 A 21 21 LYS HA H 20 4.260 4.673 -0.413 1
1 238 . 13 1 1 A 21 21 LYS C C 20 176.600 175.483 1.117 1
1 239 . 13 1 1 A 21 21 LYS CA C 20 56.500 55.459 1.041 1
1 240 . 13 1 1 A 21 21 LYS CB C 20 32.600 33.186 -0.586 1
1 244 . 13 1 1 A 21 21 LYS N N 20 118.800 117.583 1.217 1
1 245 . 13 1 1 A 22 22 HIS H H 21 8.320 9.032 -0.712 1
1 246 . 13 1 1 A 22 22 HIS HA H 21 4.730 4.913 -0.183 1
1 249 . 13 1 1 A 22 22 HIS C C 21 174.800 175.197 -0.397 1
1 250 . 13 1 1 A 22 22 HIS CA C 21 55.400 54.141 1.259 1
1 251 . 13 1 1 A 22 22 HIS CB C 21 28.800 28.397 0.403 1
1 252 . 13 1 1 A 22 22 HIS N N 21 118.600 121.643 -3.043 1
1 253 . 13 1 1 A 23 23 GLY H H 22 8.360 8.992 -0.632 1
1 254 . 13 1 1 A 23 23 GLY HA2 H 22 3.960 3.880 0.080 1
1 255 . 13 1 1 A 23 23 GLY HA3 H 22 3.960 3.889 0.071 1
1 256 . 13 1 1 A 23 23 GLY C C 22 173.200 173.757 -0.557 1
1 257 . 13 1 1 A 23 23 GLY CA C 22 45.000 46.054 -1.054 1
1 258 . 13 1 1 A 23 23 GLY N N 22 109.600 110.783 -1.183 1
1 259 . 13 1 1 A 24 24 ASP H H 23 8.320 7.811 0.509 1
1 260 . 13 1 1 A 24 24 ASP HA H 23 4.940 5.205 -0.265 1
1 263 . 13 1 1 A 24 24 ASP C C 23 174.900 175.399 -0.499 1
1 264 . 13 1 1 A 24 24 ASP CA C 23 52.200 51.238 0.962 1
1 265 . 13 1 1 A 24 24 ASP CB C 23 41.300 42.426 -1.126 1
1 266 . 13 1 1 A 24 24 ASP N N 23 121.600 119.169 2.431 1
1 267 . 13 1 1 A 25 25 PRO HA H 24 4.430 4.650 -0.220 1
1 274 . 13 1 1 A 25 25 PRO C C 24 177.800 176.799 1.001 1
1 275 . 13 1 1 A 25 25 PRO CA C 24 64.100 63.556 0.544 1
1 276 . 13 1 1 A 25 25 PRO CB C 24 31.900 32.386 -0.486 1
1 279 . 13 1 1 A 26 26 GLY H H 25 8.520 7.892 0.628 1
1 280 . 13 1 1 A 26 26 GLY HA2 H 25 3.940 3.804 0.136 1
1 281 . 13 1 1 A 26 26 GLY HA3 H 25 3.940 3.807 0.133 1
1 282 . 13 1 1 A 26 26 GLY C C 25 174.400 174.741 -0.341 1
1 283 . 13 1 1 A 26 26 GLY CA C 25 45.500 46.164 -0.664 1
1 284 . 13 1 1 A 26 26 GLY N N 25 108.300 108.666 -0.366 1
1 285 . 13 1 1 A 27 27 ASP H H 26 8.100 8.962 -0.862 1
1 286 . 13 1 1 A 27 27 ASP HA H 26 4.610 4.596 0.014 1
1 289 . 13 1 1 A 27 27 ASP C C 26 176.900 177.142 -0.242 1
1 290 . 13 1 1 A 27 27 ASP CA C 26 54.800 56.030 -1.230 1
1 291 . 13 1 1 A 27 27 ASP CB C 26 40.800 40.540 0.260 1
1 292 . 13 1 1 A 27 27 ASP N N 26 120.700 125.703 -5.003 1
1 293 . 13 1 1 A 28 28 ALA H H 27 8.320 8.603 -0.283 1
1 294 . 13 1 1 A 28 28 ALA HA H 27 4.180 4.040 0.140 1
1 298 . 13 1 1 A 28 28 ALA C C 27 179.300 179.673 -0.373 1
1 299 . 13 1 1 A 28 28 ALA CA C 27 54.600 54.529 0.071 1
1 300 . 13 1 1 A 28 28 ALA CB C 27 18.400 18.355 0.045 1
1 301 . 13 1 1 A 28 28 ALA N N 27 124.100 121.615 2.485 1
1 302 . 13 1 1 A 29 29 ALA H H 28 8.250 7.842 0.408 1
1 303 . 13 1 1 A 29 29 ALA HA H 28 4.230 3.987 0.243 1
1 307 . 13 1 1 A 29 29 ALA C C 28 180.000 179.936 0.064 1
1 308 . 13 1 1 A 29 29 ALA CA C 28 54.300 55.017 -0.717 1
1 309 . 13 1 1 A 29 29 ALA CB C 28 18.200 18.256 -0.056 1
1 310 . 13 1 1 A 29 29 ALA N N 28 121.200 119.698 1.502 1
1 311 . 13 1 1 A 30 30 GLN H H 29 8.120 8.311 -0.191 1
1 312 . 13 1 1 A 30 30 GLN HA H 29 4.230 4.054 0.176 1
1 317 . 13 1 1 A 30 30 GLN C C 29 177.900 178.399 -0.499 1
1 318 . 13 1 1 A 30 30 GLN CA C 29 57.800 58.496 -0.696 1
1 319 . 13 1 1 A 30 30 GLN CB C 29 28.600 27.830 0.770 1
1 321 . 13 1 1 A 30 30 GLN N N 29 118.800 115.922 2.878 1
1 322 . 13 1 1 A 31 31 GLN H H 30 8.240 8.060 0.180 1
1 323 . 13 1 1 A 31 31 GLN HA H 30 4.120 4.032 0.088 1
1 328 . 13 1 1 A 31 31 GLN C C 30 178.100 178.122 -0.022 1
1 329 . 13 1 1 A 31 31 GLN CA C 30 58.000 59.110 -1.110 1
1 330 . 13 1 1 A 31 31 GLN CB C 30 28.500 28.506 -0.006 1
1 332 . 13 1 1 A 31 31 GLN N N 30 119.600 119.713 -0.113 1
1 333 . 13 1 1 A 32 32 GLU H H 31 8.300 8.101 0.199 1
1 334 . 13 1 1 A 32 32 GLU HA H 31 4.190 4.139 0.051 1
1 339 . 13 1 1 A 32 32 GLU C C 31 178.100 178.729 -0.629 1
1 340 . 13 1 1 A 32 32 GLU CA C 31 58.600 58.856 -0.256 1
1 341 . 13 1 1 A 32 32 GLU CB C 31 28.800 29.371 -0.571 1
1 343 . 13 1 1 A 32 32 GLU N N 31 120.800 119.159 1.641 1
1 344 . 13 1 1 A 33 33 ALA H H 32 8.070 7.924 0.146 1
1 345 . 13 1 1 A 33 33 ALA HA H 32 4.160 4.088 0.072 1
1 349 . 13 1 1 A 33 33 ALA C C 32 179.900 179.497 0.403 1
1 350 . 13 1 1 A 33 33 ALA CA C 32 54.900 55.049 -0.149 1
1 351 . 13 1 1 A 33 33 ALA CB C 32 18.200 18.438 -0.238 1
1 352 . 13 1 1 A 33 33 ALA N N 32 123.000 121.954 1.046 1
1 353 . 13 1 1 A 34 34 LYS H H 33 8.050 8.109 -0.059 1
1 354 . 13 1 1 A 34 34 LYS HA H 33 4.150 4.049 0.101 1
1 363 . 13 1 1 A 34 34 LYS C C 33 178.900 179.198 -0.298 1
1 364 . 13 1 1 A 34 34 LYS CA C 33 58.600 59.021 -0.421 1
1 365 . 13 1 1 A 34 34 LYS CB C 33 32.300 31.825 0.475 1
1 369 . 13 1 1 A 34 34 LYS N N 33 118.600 118.951 -0.351 1
1 370 . 13 1 1 A 35 35 HIS H H 34 8.240 8.533 -0.293 1
1 371 . 13 1 1 A 35 35 HIS HA H 34 4.580 4.150 0.430 1
1 374 . 13 1 1 A 35 35 HIS C C 34 176.300 177.479 -1.179 1
1 375 . 13 1 1 A 35 35 HIS CA C 34 57.800 60.123 -2.323 1
1 376 . 13 1 1 A 35 35 HIS CB C 34 28.300 29.563 -1.263 1
1 377 . 13 1 1 A 35 35 HIS N N 34 119.100 119.490 -0.390 1
1 378 . 13 1 1 A 36 36 ARG H H 35 8.390 8.134 0.256 1
1 379 . 13 1 1 A 36 36 ARG HA H 35 4.160 3.874 0.286 1
1 386 . 13 1 1 A 36 36 ARG C C 35 178.500 178.825 -0.325 1
1 387 . 13 1 1 A 36 36 ARG CA C 35 58.800 59.441 -0.641 1
1 388 . 13 1 1 A 36 36 ARG CB C 35 29.200 29.860 -0.660 1
1 391 . 13 1 1 A 36 36 ARG N N 35 120.600 119.497 1.103 1
1 392 . 13 1 1 A 37 37 GLU H H 36 8.240 8.066 0.174 1
1 393 . 13 1 1 A 37 37 GLU HA H 36 4.080 4.045 0.035 1
1 398 . 13 1 1 A 37 37 GLU C C 36 178.200 178.767 -0.567 1
1 399 . 13 1 1 A 37 37 GLU CA C 36 59.100 58.936 0.164 1
1 400 . 13 1 1 A 37 37 GLU CB C 36 29.100 29.678 -0.578 1
1 402 . 13 1 1 A 37 37 GLU N N 36 120.400 119.768 0.632 1
1 403 . 13 1 1 A 38 38 ALA H H 37 7.980 8.513 -0.533 1
1 404 . 13 1 1 A 38 38 ALA HA H 37 4.100 4.135 -0.035 1
1 408 . 13 1 1 A 38 38 ALA C C 37 179.800 179.014 0.786 1
1 409 . 13 1 1 A 38 38 ALA CA C 37 55.100 54.918 0.182 1
1 410 . 13 1 1 A 38 38 ALA CB C 37 18.000 18.373 -0.373 1
1 411 . 13 1 1 A 38 38 ALA N N 37 122.000 122.027 -0.027 1
1 412 . 13 1 1 A 39 39 GLU H H 38 8.050 8.289 -0.239 1
1 413 . 13 1 1 A 39 39 GLU HA H 38 4.120 3.911 0.209 1
1 418 . 13 1 1 A 39 39 GLU C C 38 179.000 178.517 0.483 1
1 419 . 13 1 1 A 39 39 GLU CA C 38 58.800 59.021 -0.221 1
1 420 . 13 1 1 A 39 39 GLU CB C 38 29.100 29.044 0.056 1
1 422 . 13 1 1 A 39 39 GLU N N 38 118.200 118.818 -0.618 1
1 423 . 13 1 1 A 40 40 MET H H 39 8.130 7.580 0.550 1
1 424 . 13 1 1 A 40 40 MET HA H 39 4.200 4.211 -0.011 1
1 429 . 13 1 1 A 40 40 MET C C 39 178.200 178.243 -0.043 1
1 430 . 13 1 1 A 40 40 MET CA C 39 58.100 57.988 0.112 1
1 431 . 13 1 1 A 40 40 MET CB C 39 32.300 32.476 -0.176 1
1 433 . 13 1 1 A 40 40 MET N N 39 120.300 119.388 0.912 1
1 434 . 13 1 1 A 41 41 ARG HA H 40 3.890 3.949 -0.059 1
1 441 . 13 1 1 A 41 41 ARG C C 40 177.700 179.036 -1.336 1
1 442 . 13 1 1 A 41 41 ARG CA C 40 59.500 59.649 -0.149 1
1 443 . 13 1 1 A 41 41 ARG CB C 40 30.300 30.013 0.287 1
1 444 . 13 1 1 A 42 42 ASN H H 41 8.190 7.979 0.211 1
1 445 . 13 1 1 A 42 42 ASN HA H 41 4.440 4.456 -0.016 1
1 450 . 13 1 1 A 42 42 ASN C C 41 177.700 178.070 -0.370 1
1 451 . 13 1 1 A 42 42 ASN CA C 41 55.900 56.173 -0.273 1
1 452 . 13 1 1 A 42 42 ASN CB C 41 38.100 37.661 0.439 1
1 453 . 13 1 1 A 42 42 ASN N N 41 116.300 118.112 -1.812 1
1 455 . 13 1 1 A 43 43 SER H H 42 8.130 8.049 0.081 1
1 456 . 13 1 1 A 43 43 SER HA H 42 4.300 4.132 0.168 1
1 459 . 13 1 1 A 43 43 SER C C 42 176.600 176.527 0.073 1
1 460 . 13 1 1 A 43 43 SER CA C 42 61.200 62.379 -1.179 1
1 461 . 13 1 1 A 43 43 SER CB C 42 63.100 62.978 0.122 1
1 462 . 13 1 1 A 43 43 SER N N 42 116.300 116.874 -0.574 1
1 463 . 13 1 1 A 44 44 ILE H H 43 7.940 7.974 -0.034 1
1 464 . 13 1 1 A 44 44 ILE HA H 43 3.860 3.782 0.078 1
1 474 . 13 1 1 A 44 44 ILE C C 43 178.400 178.235 0.165 1
1 475 . 13 1 1 A 44 44 ILE CA C 43 64.500 64.561 -0.061 1
1 476 . 13 1 1 A 44 44 ILE CB C 43 37.900 37.492 0.408 1
1 480 . 13 1 1 A 44 44 ILE N N 43 122.500 118.501 3.999 1
1 481 . 13 1 1 A 45 45 LEU H H 44 8.070 8.118 -0.048 1
1 482 . 13 1 1 A 45 45 LEU HA H 44 3.940 4.006 -0.066 1
1 492 . 13 1 1 A 45 45 LEU C C 44 178.200 179.154 -0.954 1
1 493 . 13 1 1 A 45 45 LEU CA C 44 58.100 57.789 0.311 1
1 494 . 13 1 1 A 45 45 LEU CB C 44 41.100 40.640 0.460 1
1 498 . 13 1 1 A 45 45 LEU N N 44 119.100 122.068 -2.968 1
1 499 . 13 1 1 A 46 46 ALA H H 45 7.760 7.587 0.173 1
1 500 . 13 1 1 A 46 46 ALA HA H 45 4.100 4.117 -0.017 1
1 504 . 13 1 1 A 46 46 ALA C C 45 178.700 178.299 0.401 1
1 505 . 13 1 1 A 46 46 ALA CA C 45 54.100 54.522 -0.422 1
1 506 . 13 1 1 A 46 46 ALA CB C 45 18.100 18.168 -0.068 1
1 507 . 13 1 1 A 46 46 ALA N N 45 117.600 121.893 -4.293 1
1 508 . 13 1 1 A 47 47 GLN H H 46 7.570 7.383 0.187 1
1 509 . 13 1 1 A 47 47 GLN HA H 46 4.270 4.373 -0.103 1
1 514 . 13 1 1 A 47 47 GLN C C 46 177.800 177.380 0.420 1
1 515 . 13 1 1 A 47 47 GLN CA C 46 57.300 57.212 0.088 1
1 516 . 13 1 1 A 47 47 GLN CB C 46 29.500 29.584 -0.084 1
1 518 . 13 1 1 A 47 47 GLN N N 46 114.300 116.283 -1.983 1
1 519 . 13 1 1 A 48 48 VAL H H 47 7.690 7.266 0.424 1
1 520 . 13 1 1 A 48 48 VAL HA H 47 4.380 4.757 -0.377 1
1 528 . 13 1 1 A 48 48 VAL C C 47 174.400 174.907 -0.507 1
1 529 . 13 1 1 A 48 48 VAL CA C 47 62.600 62.175 0.425 1
1 530 . 13 1 1 A 48 48 VAL CB C 47 32.800 32.223 0.577 1
1 533 . 13 1 1 A 48 48 VAL N N 47 111.900 109.584 2.316 1
1 534 . 13 1 1 A 49 49 LEU H H 48 7.480 7.598 -0.118 1
1 535 . 13 1 1 A 49 49 LEU HA H 48 4.910 4.790 0.120 1
1 545 . 13 1 1 A 49 49 LEU C C 48 177.000 175.937 1.063 1
1 546 . 13 1 1 A 49 49 LEU CA C 48 53.700 52.874 0.826 1
1 547 . 13 1 1 A 49 49 LEU CB C 48 44.500 43.589 0.911 1
1 551 . 13 1 1 A 49 49 LEU N N 48 119.600 122.860 -3.260 1
1 552 . 13 1 1 A 50 50 ASP H H 49 8.430 8.985 -0.555 1
1 553 . 13 1 1 A 50 50 ASP HA H 49 4.630 4.672 -0.042 1
1 556 . 13 1 1 A 50 50 ASP C C 49 176.000 177.278 -1.278 1
1 557 . 13 1 1 A 50 50 ASP CA C 49 53.000 54.214 -1.214 1
1 558 . 13 1 1 A 50 50 ASP CB C 49 40.200 42.373 -2.173 1
1 559 . 13 1 1 A 50 50 ASP N N 49 121.200 125.081 -3.881 1
1 560 . 13 1 1 A 51 51 GLN H H 50 8.580 9.030 -0.450 1
1 561 . 13 1 1 A 51 51 GLN HA H 50 3.950 3.965 -0.015 1
1 566 . 13 1 1 A 51 51 GLN C C 50 178.800 177.664 1.136 1
1 567 . 13 1 1 A 51 51 GLN CA C 50 60.200 58.721 1.479 1
1 568 . 13 1 1 A 51 51 GLN CB C 50 28.300 28.078 0.222 1
1 570 . 13 1 1 A 51 51 GLN N N 50 118.200 125.833 -7.633 1
1 571 . 13 1 1 A 52 52 SER H H 51 8.430 8.401 0.029 1
1 572 . 13 1 1 A 52 52 SER HA H 51 4.320 4.204 0.116 1
1 575 . 13 1 1 A 52 52 SER C C 51 177.200 177.078 0.122 1
1 576 . 13 1 1 A 52 52 SER CA C 51 61.500 61.357 0.143 1
1 577 . 13 1 1 A 52 52 SER CB C 51 62.400 62.319 0.081 1
1 578 . 13 1 1 A 52 52 SER N N 51 117.000 115.664 1.336 1
1 579 . 13 1 1 A 53 53 ALA H H 52 8.760 7.807 0.953 1
1 580 . 13 1 1 A 53 53 ALA HA H 52 3.960 3.954 0.006 1
1 584 . 13 1 1 A 53 53 ALA C C 52 178.900 179.624 -0.724 1
1 585 . 13 1 1 A 53 53 ALA CA C 52 55.400 55.360 0.040 1
1 586 . 13 1 1 A 53 53 ALA CB C 52 19.200 18.160 1.040 1
1 587 . 13 1 1 A 53 53 ALA N N 52 127.400 123.615 3.785 1
1 588 . 13 1 1 A 54 54 ARG H H 53 8.640 7.924 0.716 1
1 589 . 13 1 1 A 54 54 ARG HA H 53 3.880 3.974 -0.094 1
1 596 . 13 1 1 A 54 54 ARG C C 53 179.000 178.838 0.162 1
1 597 . 13 1 1 A 54 54 ARG CA C 53 59.700 59.729 -0.029 1
1 598 . 13 1 1 A 54 54 ARG CB C 53 29.900 29.658 0.242 1
1 601 . 13 1 1 A 54 54 ARG N N 53 118.200 118.012 0.188 1
1 602 . 13 1 1 A 55 55 ALA H H 54 7.960 8.042 -0.082 1
1 603 . 13 1 1 A 55 55 ALA HA H 54 4.190 4.032 0.158 1
1 607 . 13 1 1 A 55 55 ALA C C 54 180.100 179.431 0.669 1
1 608 . 13 1 1 A 55 55 ALA CA C 54 55.100 55.357 -0.257 1
1 609 . 13 1 1 A 55 55 ALA CB C 54 17.700 18.204 -0.504 1
1 610 . 13 1 1 A 55 55 ALA N N 54 122.200 122.408 -0.208 1
1 611 . 13 1 1 A 56 56 ARG H H 55 7.800 8.156 -0.356 1
1 612 . 13 1 1 A 56 56 ARG HA H 55 4.160 4.070 0.090 1
1 619 . 13 1 1 A 56 56 ARG C C 55 178.900 178.212 0.688 1
1 620 . 13 1 1 A 56 56 ARG CA C 55 58.300 58.962 -0.662 1
1 621 . 13 1 1 A 56 56 ARG CB C 55 29.100 29.899 -0.799 1
1 624 . 13 1 1 A 56 56 ARG N N 55 119.100 118.846 0.254 1
1 625 . 13 1 1 A 57 57 LEU H H 56 8.390 8.367 0.023 1
1 626 . 13 1 1 A 57 57 LEU HA H 56 4.060 4.093 -0.033 1
1 635 . 13 1 1 A 57 57 LEU C C 56 178.100 178.571 -0.471 1
1 636 . 13 1 1 A 57 57 LEU CA C 56 57.800 57.840 -0.040 1
1 637 . 13 1 1 A 57 57 LEU CB C 56 41.600 41.251 0.349 1
1 641 . 13 1 1 A 57 57 LEU N N 56 120.600 121.316 -0.716 1
1 642 . 13 1 1 A 58 58 SER H H 57 8.150 7.879 0.271 1
1 643 . 13 1 1 A 58 58 SER HA H 57 4.210 4.170 0.040 1
1 646 . 13 1 1 A 58 58 SER C C 57 176.500 177.412 -0.912 1
1 647 . 13 1 1 A 58 58 SER CA C 57 61.800 61.503 0.297 1
1 648 . 13 1 1 A 58 58 SER CB C 57 62.600 62.775 -0.175 1
1 649 . 13 1 1 A 58 58 SER N N 57 114.100 114.564 -0.464 1
1 650 . 13 1 1 A 59 59 ASN H H 58 7.700 8.258 -0.558 1
1 651 . 13 1 1 A 59 59 ASN HA H 58 4.580 4.562 0.018 1
1 656 . 13 1 1 A 59 59 ASN C C 58 178.000 178.048 -0.048 1
1 657 . 13 1 1 A 59 59 ASN CA C 58 56.200 56.319 -0.119 1
1 658 . 13 1 1 A 59 59 ASN CB C 58 38.700 37.795 0.905 1
1 659 . 13 1 1 A 59 59 ASN N N 58 119.500 120.566 -1.066 1
1 661 . 13 1 1 A 60 60 LEU H H 59 8.250 7.849 0.401 1
1 662 . 13 1 1 A 60 60 LEU HA H 59 4.070 4.116 -0.046 1
1 671 . 13 1 1 A 60 60 LEU C C 59 178.400 178.365 0.035 1
1 672 . 13 1 1 A 60 60 LEU CA C 59 57.500 57.234 0.266 1
1 673 . 13 1 1 A 60 60 LEU CB C 59 42.100 41.546 0.554 1
1 677 . 13 1 1 A 60 60 LEU N N 59 123.000 120.836 2.164 1
1 678 . 13 1 1 A 61 61 ALA H H 60 8.070 8.086 -0.016 1
1 679 . 13 1 1 A 61 61 ALA HA H 60 3.910 4.203 -0.293 1
1 683 . 13 1 1 A 61 61 ALA C C 60 178.400 179.751 -1.351 1
1 684 . 13 1 1 A 61 61 ALA CA C 60 54.600 54.859 -0.259 1
1 685 . 13 1 1 A 61 61 ALA CB C 60 18.200 18.392 -0.192 1
1 686 . 13 1 1 A 61 61 ALA N N 60 120.700 120.705 -0.005 1
1 687 . 13 1 1 A 62 62 LEU H H 61 7.170 8.100 -0.930 1
1 688 . 13 1 1 A 62 62 LEU HA H 61 4.200 4.083 0.117 1
1 695 . 13 1 1 A 62 62 LEU C C 61 178.300 177.936 0.364 1
1 696 . 13 1 1 A 62 62 LEU CA C 61 56.500 57.205 -0.705 1
1 697 . 13 1 1 A 62 62 LEU CB C 61 42.100 41.722 0.378 1
1 701 . 13 1 1 A 62 62 LEU N N 61 113.700 119.544 -5.844 1
1 702 . 13 1 1 A 63 63 VAL H H 62 7.330 7.495 -0.165 1
1 703 . 13 1 1 A 63 63 VAL HA H 62 4.380 4.223 0.157 1
1 711 . 13 1 1 A 63 63 VAL C C 62 176.200 176.113 0.087 1
1 712 . 13 1 1 A 63 63 VAL CA C 62 62.800 62.931 -0.131 1
1 713 . 13 1 1 A 63 63 VAL CB C 62 33.900 32.820 1.080 1
1 716 . 13 1 1 A 63 63 VAL N N 62 112.500 110.580 1.920 1
1 717 . 13 1 1 A 64 64 LYS H H 63 8.710 7.630 1.080 1
1 718 . 13 1 1 A 64 64 LYS HA H 63 5.000 4.700 0.300 1
1 727 . 13 1 1 A 64 64 LYS C C 63 174.200 175.075 -0.875 1
1 728 . 13 1 1 A 64 64 LYS CA C 63 53.600 53.482 0.118 1
1 729 . 13 1 1 A 64 64 LYS CB C 63 33.400 33.694 -0.294 1
1 733 . 13 1 1 A 64 64 LYS N N 63 120.400 120.787 -0.387 1
1 734 . 13 1 1 A 65 65 PRO HA H 64 4.360 4.584 -0.224 1
1 741 . 13 1 1 A 65 65 PRO C C 64 179.400 178.431 0.969 1
1 742 . 13 1 1 A 65 65 PRO CA C 64 66.000 64.750 1.250 1
1 743 . 13 1 1 A 65 65 PRO CB C 64 31.400 32.117 -0.717 1
1 746 . 13 1 1 A 66 66 GLU H H 65 8.920 8.449 0.471 1
1 747 . 13 1 1 A 66 66 GLU HA H 65 4.200 4.016 0.184 1
1 752 . 13 1 1 A 66 66 GLU C C 65 179.600 179.215 0.385 1
1 753 . 13 1 1 A 66 66 GLU CA C 65 59.400 59.805 -0.405 1
1 754 . 13 1 1 A 66 66 GLU CB C 65 28.300 29.005 -0.705 1
1 756 . 13 1 1 A 66 66 GLU N N 65 118.700 118.009 0.691 1
1 757 . 13 1 1 A 67 67 LYS H H 66 8.000 7.798 0.202 1
1 758 . 13 1 1 A 67 67 LYS HA H 66 4.160 4.142 0.018 1
1 767 . 13 1 1 A 67 67 LYS C C 66 178.400 178.969 -0.569 1
1 768 . 13 1 1 A 67 67 LYS CA C 66 58.500 58.823 -0.323 1
1 769 . 13 1 1 A 67 67 LYS CB C 66 32.300 32.116 0.184 1
1 773 . 13 1 1 A 67 67 LYS N N 66 121.300 119.573 1.727 1
1 774 . 13 1 1 A 68 68 THR H H 67 7.960 7.631 0.329 1
1 775 . 13 1 1 A 68 68 THR HA H 67 4.130 3.912 0.218 1
1 780 . 13 1 1 A 68 68 THR C C 67 176.200 176.803 -0.603 1
1 781 . 13 1 1 A 68 68 THR CA C 67 67.800 67.222 0.578 1
1 782 . 13 1 1 A 68 68 THR CB C 67 67.800 68.518 -0.718 1
1 784 . 13 1 1 A 68 68 THR N N 67 114.200 116.911 -2.711 1
1 785 . 13 1 1 A 69 69 LYS H H 68 7.770 8.295 -0.525 1
1 786 . 13 1 1 A 69 69 LYS HA H 68 3.990 4.041 -0.051 1
1 795 . 13 1 1 A 69 69 LYS C C 68 178.100 178.604 -0.504 1
1 796 . 13 1 1 A 69 69 LYS CA C 68 59.400 58.861 0.539 1
1 797 . 13 1 1 A 69 69 LYS CB C 68 31.700 31.902 -0.202 1
1 801 . 13 1 1 A 69 69 LYS N N 68 122.000 120.056 1.944 1
1 802 . 13 1 1 A 70 70 ALA H H 69 7.480 7.524 -0.044 1
1 803 . 13 1 1 A 70 70 ALA HA H 69 4.240 4.097 0.143 1
1 807 . 13 1 1 A 70 70 ALA C C 69 181.200 179.998 1.202 1
1 808 . 13 1 1 A 70 70 ALA CA C 69 55.200 55.069 0.131 1
1 809 . 13 1 1 A 70 70 ALA CB C 69 17.900 18.215 -0.315 1
1 810 . 13 1 1 A 70 70 ALA N N 69 120.300 122.070 -1.770 1
1 811 . 13 1 1 A 71 71 VAL H H 70 8.160 8.016 0.144 1
1 812 . 13 1 1 A 71 71 VAL HA H 70 3.620 3.818 -0.198 1
1 820 . 13 1 1 A 71 71 VAL C C 70 177.400 178.107 -0.707 1
1 821 . 13 1 1 A 71 71 VAL CA C 70 66.600 65.223 1.377 1
1 822 . 13 1 1 A 71 71 VAL CB C 70 31.500 31.605 -0.105 1
1 825 . 13 1 1 A 71 71 VAL N N 70 120.300 117.303 2.997 1
1 826 . 13 1 1 A 72 72 GLU H H 71 8.690 8.749 -0.059 1
1 827 . 13 1 1 A 72 72 GLU HA H 71 3.800 3.927 -0.127 1
1 832 . 13 1 1 A 72 72 GLU C C 71 178.000 179.008 -1.008 1
1 833 . 13 1 1 A 72 72 GLU CA C 71 60.400 60.189 0.211 1
1 834 . 13 1 1 A 72 72 GLU CB C 71 29.200 29.326 -0.126 1
1 836 . 13 1 1 A 72 72 GLU N N 71 119.300 122.217 -2.917 1
1 837 . 13 1 1 A 73 73 ASN H H 72 8.460 8.167 0.293 1
1 838 . 13 1 1 A 73 73 ASN HA H 72 4.440 4.443 -0.003 1
1 843 . 13 1 1 A 73 73 ASN C C 72 177.600 177.145 0.455 1
1 844 . 13 1 1 A 73 73 ASN CA C 72 56.200 56.221 -0.021 1
1 845 . 13 1 1 A 73 73 ASN CB C 72 37.600 38.946 -1.346 1
1 846 . 13 1 1 A 73 73 ASN N N 72 115.900 118.400 -2.500 1
1 848 . 13 1 1 A 74 74 TYR H H 73 7.940 8.078 -0.138 1
1 849 . 13 1 1 A 74 74 TYR HA H 73 4.200 4.283 -0.083 1
1 856 . 13 1 1 A 74 74 TYR C C 73 177.600 176.936 0.664 1
1 857 . 13 1 1 A 74 74 TYR CA C 73 61.500 61.489 0.011 1
1 858 . 13 1 1 A 74 74 TYR CB C 73 38.400 38.989 -0.589 1
1 863 . 13 1 1 A 74 74 TYR N N 73 122.400 120.514 1.886 1
1 864 . 13 1 1 A 75 75 LEU H H 74 8.410 8.575 -0.165 1
1 865 . 13 1 1 A 75 75 LEU HA H 74 3.930 3.836 0.094 1
1 875 . 13 1 1 A 75 75 LEU C C 74 178.500 179.191 -0.691 1
1 876 . 13 1 1 A 75 75 LEU CA C 74 58.100 57.907 0.193 1
1 877 . 13 1 1 A 75 75 LEU CB C 74 42.600 41.423 1.177 1
1 881 . 13 1 1 A 75 75 LEU N N 74 119.500 120.141 -0.641 1
1 882 . 13 1 1 A 76 76 ILE H H 75 8.400 8.095 0.305 1
1 883 . 13 1 1 A 76 76 ILE HA H 75 3.570 3.431 0.139 1
1 890 . 13 1 1 A 76 76 ILE C C 75 178.100 177.833 0.267 1
1 891 . 13 1 1 A 76 76 ILE CA C 75 65.200 65.670 -0.470 1
1 892 . 13 1 1 A 76 76 ILE CB C 75 37.800 37.818 -0.018 1
1 896 . 13 1 1 A 76 76 ILE N N 75 118.600 120.174 -1.574 1
1 897 . 13 1 1 A 77 77 GLN H H 76 7.830 7.698 0.132 1
1 898 . 13 1 1 A 77 77 GLN HA H 76 3.920 3.699 0.221 1
1 903 . 13 1 1 A 77 77 GLN C C 76 178.100 178.061 0.039 1
1 904 . 13 1 1 A 77 77 GLN CA C 76 59.100 58.560 0.540 1
1 905 . 13 1 1 A 77 77 GLN CB C 76 28.000 28.677 -0.677 1
1 907 . 13 1 1 A 77 77 GLN N N 76 119.300 118.464 0.836 1
1 908 . 13 1 1 A 78 78 MET H H 77 8.060 8.070 -0.010 1
1 909 . 13 1 1 A 78 78 MET HA H 77 4.040 4.039 0.001 1
1 912 . 13 1 1 A 78 78 MET C C 77 178.700 177.929 0.771 1
1 913 . 13 1 1 A 78 78 MET CA C 77 58.600 58.473 0.127 1
1 914 . 13 1 1 A 78 78 MET CB C 77 33.000 32.295 0.705 1
1 916 . 13 1 1 A 78 78 MET N N 77 117.600 119.019 -1.419 1
1 917 . 13 1 1 A 79 79 ALA H H 78 8.210 8.208 0.002 1
1 918 . 13 1 1 A 79 79 ALA HA H 78 4.190 4.039 0.151 1
1 922 . 13 1 1 A 79 79 ALA C C 78 180.600 179.720 0.880 1
1 923 . 13 1 1 A 79 79 ALA CA C 78 54.100 54.965 -0.865 1
1 924 . 13 1 1 A 79 79 ALA CB C 78 18.400 18.190 0.210 1
1 925 . 13 1 1 A 79 79 ALA N N 78 121.400 121.321 0.079 1
1 926 . 13 1 1 A 80 80 ARG H H 79 8.120 7.939 0.181 1
1 927 . 13 1 1 A 80 80 ARG HA H 79 3.960 3.970 -0.010 1
1 934 . 13 1 1 A 80 80 ARG C C 79 177.900 178.656 -0.756 1
1 935 . 13 1 1 A 80 80 ARG CA C 79 58.800 58.546 0.254 1
1 936 . 13 1 1 A 80 80 ARG CB C 79 29.900 29.470 0.430 1
1 939 . 13 1 1 A 80 80 ARG N N 79 119.100 119.131 -0.031 1
1 940 . 13 1 1 A 81 81 TYR H H 80 7.800 7.402 0.398 1
1 941 . 13 1 1 A 81 81 TYR HA H 80 4.710 4.352 0.358 1
1 948 . 13 1 1 A 81 81 TYR C C 80 176.500 176.433 0.067 1
1 949 . 13 1 1 A 81 81 TYR CA C 80 57.500 60.308 -2.808 1
1 950 . 13 1 1 A 81 81 TYR CB C 80 38.100 38.513 -0.413 1
1 955 . 13 1 1 A 81 81 TYR N N 80 115.900 117.257 -1.357 1
1 956 . 13 1 1 A 82 82 GLY H H 81 7.850 7.694 0.156 1
1 957 . 13 1 1 A 82 82 GLY HA2 H 81 4.030 3.973 0.057 1
1 958 . 13 1 1 A 82 82 GLY HA3 H 81 4.030 3.984 0.046 1
1 959 . 13 1 1 A 82 82 GLY C C 81 174.900 175.283 -0.383 1
1 960 . 13 1 1 A 82 82 GLY CA C 81 46.300 46.189 0.111 1
1 961 . 13 1 1 A 82 82 GLY N N 81 108.500 107.771 0.729 1
1 962 . 13 1 1 A 83 83 GLN H H 82 8.200 8.235 -0.035 1
1 963 . 13 1 1 A 83 83 GLN HA H 82 4.310 4.199 0.111 1
1 968 . 13 1 1 A 83 83 GLN C C 82 175.500 174.998 0.502 1
1 969 . 13 1 1 A 83 83 GLN CA C 82 55.700 56.945 -1.245 1
1 970 . 13 1 1 A 83 83 GLN CB C 82 29.400 28.906 0.494 1
1 972 . 13 1 1 A 83 83 GLN N N 82 116.900 118.982 -2.082 1
1 973 . 13 1 1 A 84 84 LEU H H 83 7.990 7.454 0.536 1
1 974 . 13 1 1 A 84 84 LEU HA H 83 4.610 4.801 -0.191 1
1 984 . 13 1 1 A 84 84 LEU C C 83 176.500 175.827 0.673 1
1 985 . 13 1 1 A 84 84 LEU CA C 83 54.300 53.261 1.039 1
1 986 . 13 1 1 A 84 84 LEU CB C 83 42.600 45.990 -3.390 1
1 990 . 13 1 1 A 84 84 LEU N N 83 121.400 116.683 4.717 1
1 991 . 13 1 1 A 85 85 SER H H 84 8.630 8.946 -0.316 1
1 992 . 13 1 1 A 85 85 SER HA H 84 4.410 4.768 -0.358 1
1 995 . 13 1 1 A 85 85 SER C C 84 173.700 173.776 -0.076 1
1 996 . 13 1 1 A 85 85 SER CA C 84 59.400 57.877 1.523 1
1 997 . 13 1 1 A 85 85 SER CB C 84 63.900 64.919 -1.019 1
1 998 . 13 1 1 A 85 85 SER N N 84 118.400 114.571 3.829 1
1 999 . 13 1 1 A 86 86 GLU H H 85 7.690 7.797 -0.107 1
1 1000 . 13 1 1 A 86 86 GLU HA H 85 4.530 4.756 -0.226 1
1 1005 . 13 1 1 A 86 86 GLU C C 85 175.400 176.267 -0.867 1
1 1006 . 13 1 1 A 86 86 GLU CA C 85 54.900 54.780 0.120 1
1 1007 . 13 1 1 A 86 86 GLU CB C 85 31.200 30.699 0.501 1
1 1009 . 13 1 1 A 86 86 GLU N N 85 119.400 120.103 -0.703 1
1 1010 . 13 1 1 A 87 87 LYS H H 86 8.380 8.638 -0.258 1
1 1011 . 13 1 1 A 87 87 LYS HA H 86 4.230 4.753 -0.523 1
1 1018 . 13 1 1 A 87 87 LYS C C 86 176.900 175.704 1.196 1
1 1019 . 13 1 1 A 87 87 LYS CA C 86 57.000 55.485 1.515 1
1 1020 . 13 1 1 A 87 87 LYS CB C 86 33.300 33.457 -0.157 1
1 1024 . 13 1 1 A 87 87 LYS N N 86 120.400 121.564 -1.164 1
1 1025 . 13 1 1 A 88 88 VAL H H 87 8.960 9.172 -0.212 1
1 1026 . 13 1 1 A 88 88 VAL HA H 87 3.970 4.236 -0.266 1
1 1034 . 13 1 1 A 88 88 VAL C C 87 174.700 175.826 -1.126 1
1 1035 . 13 1 1 A 88 88 VAL CA C 87 63.300 62.765 0.535 1
1 1036 . 13 1 1 A 88 88 VAL CB C 87 32.400 32.094 0.306 1
1 1038 . 13 1 1 A 88 88 VAL N N 87 125.200 125.436 -0.236 1
1 1039 . 13 1 1 A 89 89 SER H H 88 8.190 9.076 -0.886 1
1 1040 . 13 1 1 A 89 89 SER HA H 88 4.990 4.639 0.351 1
1 1043 . 13 1 1 A 89 89 SER C C 88 175.700 175.663 0.037 1
1 1044 . 13 1 1 A 89 89 SER CA C 88 56.200 57.566 -1.366 1
1 1045 . 13 1 1 A 89 89 SER CB C 88 66.600 64.781 1.819 1
1 1046 . 13 1 1 A 89 89 SER N N 88 121.700 121.572 0.128 1
1 1047 . 13 1 1 A 90 90 GLU H H 89 9.230 8.792 0.438 1
1 1048 . 13 1 1 A 90 90 GLU HA H 89 3.720 4.004 -0.284 1
1 1053 . 13 1 1 A 90 90 GLU C C 89 177.700 178.446 -0.746 1
1 1054 . 13 1 1 A 90 90 GLU CA C 89 61.200 59.890 1.310 1
1 1055 . 13 1 1 A 90 90 GLU CB C 89 29.100 29.486 -0.386 1
1 1057 . 13 1 1 A 90 90 GLU N N 89 121.600 123.181 -1.581 1
1 1058 . 13 1 1 A 91 91 GLN H H 90 8.430 8.278 0.152 1
1 1059 . 13 1 1 A 91 91 GLN HA H 90 4.040 4.041 -0.001 1
1 1066 . 13 1 1 A 91 91 GLN C C 90 178.900 179.558 -0.658 1
1 1067 . 13 1 1 A 91 91 GLN CA C 90 59.100 58.740 0.360 1
1 1068 . 13 1 1 A 91 91 GLN CB C 90 27.800 28.354 -0.554 1
1 1070 . 13 1 1 A 91 91 GLN N N 90 117.100 118.396 -1.296 1
1 1072 . 13 1 1 A 92 92 GLY H H 91 8.080 8.270 -0.190 1
1 1073 . 13 1 1 A 92 92 GLY HA2 H 91 3.890 3.623 0.267 1
1 1074 . 13 1 1 A 92 92 GLY HA3 H 91 3.890 3.629 0.261 1
1 1075 . 13 1 1 A 92 92 GLY C C 91 176.600 176.296 0.304 1
1 1076 . 13 1 1 A 92 92 GLY CA C 91 46.900 47.397 -0.497 1
1 1077 . 13 1 1 A 92 92 GLY N N 91 109.400 109.217 0.183 1
1 1078 . 13 1 1 A 93 93 LEU H H 92 8.610 8.232 0.378 1
1 1079 . 13 1 1 A 93 93 LEU HA H 92 4.000 4.180 -0.180 1
1 1089 . 13 1 1 A 93 93 LEU C C 92 178.000 178.396 -0.396 1
1 1090 . 13 1 1 A 93 93 LEU CA C 92 57.500 57.245 0.255 1
1 1091 . 13 1 1 A 93 93 LEU CB C 92 41.800 41.342 0.458 1
1 1095 . 13 1 1 A 93 93 LEU N N 92 123.700 122.343 1.357 1
1 1096 . 13 1 1 A 94 94 ILE H H 93 7.970 8.484 -0.514 1
1 1097 . 13 1 1 A 94 94 ILE HA H 93 3.640 3.518 0.122 1
1 1107 . 13 1 1 A 94 94 ILE C C 93 178.500 178.147 0.353 1
1 1108 . 13 1 1 A 94 94 ILE CA C 93 64.800 64.980 -0.180 1
1 1109 . 13 1 1 A 94 94 ILE CB C 93 37.100 37.593 -0.493 1
1 1113 . 13 1 1 A 94 94 ILE N N 93 119.900 119.515 0.385 1
1 1114 . 13 1 1 A 95 95 GLU H H 94 7.610 7.802 -0.192 1
1 1115 . 13 1 1 A 95 95 GLU HA H 94 4.090 3.978 0.112 1
1 1120 . 13 1 1 A 95 95 GLU C C 94 179.400 180.002 -0.602 1
1 1121 . 13 1 1 A 95 95 GLU CA C 94 59.200 59.197 0.003 1
1 1122 . 13 1 1 A 95 95 GLU CB C 94 28.800 29.597 -0.797 1
1 1124 . 13 1 1 A 95 95 GLU N N 94 118.800 119.743 -0.943 1
1 1125 . 13 1 1 A 96 96 ILE H H 95 7.840 7.495 0.345 1
1 1126 . 13 1 1 A 96 96 ILE HA H 95 3.520 3.488 0.032 1
1 1136 . 13 1 1 A 96 96 ILE C C 95 177.500 178.021 -0.521 1
1 1137 . 13 1 1 A 96 96 ILE CA C 95 65.500 64.776 0.724 1
1 1138 . 13 1 1 A 96 96 ILE CB C 95 37.900 37.711 0.189 1
1 1142 . 13 1 1 A 96 96 ILE N N 95 121.600 120.526 1.074 1
1 1143 . 13 1 1 A 97 97 LEU H H 96 8.620 8.467 0.153 1
1 1144 . 13 1 1 A 97 97 LEU HA H 96 3.800 3.991 -0.191 1
1 1151 . 13 1 1 A 97 97 LEU C C 96 179.400 178.600 0.800 1
1 1152 . 13 1 1 A 97 97 LEU CA C 96 58.600 58.418 0.182 1
1 1153 . 13 1 1 A 97 97 LEU CB C 96 41.500 41.711 -0.211 1
1 1156 . 13 1 1 A 97 97 LEU N N 96 120.400 121.182 -0.782 1
1 1157 . 13 1 1 A 98 98 LYS H H 97 7.750 8.223 -0.473 1
1 1158 . 13 1 1 A 98 98 LYS HA H 97 3.990 3.985 0.005 1
1 1167 . 13 1 1 A 98 98 LYS C C 97 178.600 179.651 -1.051 1
1 1168 . 13 1 1 A 98 98 LYS CA C 97 59.400 60.257 -0.857 1
1 1169 . 13 1 1 A 98 98 LYS CB C 97 32.300 32.004 0.296 1
1 1172 . 13 1 1 A 98 98 LYS N N 97 119.000 119.480 -0.480 1
1 1173 . 13 1 1 A 99 99 LYS H H 98 7.710 8.214 -0.504 1
1 1174 . 13 1 1 A 99 99 LYS HA H 98 4.110 4.065 0.045 1
1 1183 . 13 1 1 A 99 99 LYS C C 98 179.100 177.288 1.812 1
1 1184 . 13 1 1 A 99 99 LYS CA C 98 59.100 58.636 0.464 1
1 1185 . 13 1 1 A 99 99 LYS CB C 98 32.500 31.580 0.920 1
1 1189 . 13 1 1 A 99 99 LYS N N 98 119.500 118.792 0.708 1
1 1190 . 13 1 1 A 100 100 VAL H H 99 8.210 7.283 0.927 1
1 1191 . 13 1 1 A 100 100 VAL HA H 99 3.920 4.139 -0.219 1
1 1196 . 13 1 1 A 100 100 VAL C C 99 177.600 177.289 0.311 1
1 1197 . 13 1 1 A 100 100 VAL CA C 99 64.200 61.946 2.254 1
1 1198 . 13 1 1 A 100 100 VAL CB C 99 31.500 32.205 -0.705 1
1 1200 . 13 1 1 A 100 100 VAL N N 99 115.800 117.408 -1.608 1
1 1201 . 13 1 1 A 101 101 SER H H 100 7.900 7.693 0.207 1
1 1202 . 13 1 1 A 101 101 SER HA H 100 4.340 4.028 0.312 1
1 1205 . 13 1 1 A 101 101 SER C C 100 174.600 175.411 -0.811 1
1 1206 . 13 1 1 A 101 101 SER CA C 100 60.400 62.240 -1.840 1
1 1207 . 13 1 1 A 101 101 SER CB C 100 63.600 63.251 0.349 1
1 1208 . 13 1 1 A 101 101 SER N N 100 116.500 119.061 -2.561 1
1 1209 . 13 1 1 A 102 102 GLN H H 101 7.860 8.050 -0.190 1
1 1210 . 13 1 1 A 102 102 GLN HA H 101 4.280 4.388 -0.108 1
1 1215 . 13 1 1 A 102 102 GLN C C 101 176.400 175.902 0.498 1
1 1216 . 13 1 1 A 102 102 GLN CA C 101 56.800 57.182 -0.382 1
1 1217 . 13 1 1 A 102 102 GLN CB C 101 28.900 30.036 -1.136 1
1 1219 . 13 1 1 A 102 102 GLN N N 101 120.100 117.755 2.345 1
1 1220 . 13 1 1 A 103 103 GLN H H 102 8.080 7.635 0.445 1
1 1221 . 13 1 1 A 103 103 GLN HA H 102 4.360 4.680 -0.320 1
1 1226 . 13 1 1 A 103 103 GLN C C 102 176.500 173.853 2.647 1
1 1227 . 13 1 1 A 103 103 GLN CA C 102 56.700 55.076 1.624 1
1 1228 . 13 1 1 A 103 103 GLN CB C 102 29.000 31.166 -2.166 1
1 1230 . 13 1 1 A 103 103 GLN N N 102 119.700 113.145 6.555 1
1 1231 . 13 1 1 A 104 104 THR H H 103 8.070 8.803 -0.733 1
1 1232 . 13 1 1 A 104 104 THR HA H 103 4.350 4.483 -0.133 1
1 1237 . 13 1 1 A 104 104 THR C C 103 174.700 173.774 0.926 1
1 1238 . 13 1 1 A 104 104 THR CA C 103 62.500 63.078 -0.578 1
1 1239 . 13 1 1 A 104 104 THR CB C 103 69.800 70.197 -0.397 1
1 1241 . 13 1 1 A 104 104 THR N N 103 113.900 114.991 -1.091 1
1 1242 . 13 1 1 A 105 105 GLU H H 104 8.290 8.519 -0.229 1
1 1243 . 13 1 1 A 105 105 GLU HA H 104 4.350 4.515 -0.165 1
1 1248 . 13 1 1 A 105 105 GLU C C 104 176.300 175.119 1.181 1
1 1249 . 13 1 1 A 105 105 GLU CA C 104 56.700 56.475 0.225 1
1 1250 . 13 1 1 A 105 105 GLU CB C 104 29.900 28.116 1.784 1
1 1252 . 13 1 1 A 105 105 GLU N N 104 122.900 120.849 2.051 1
1 1253 . 13 1 1 A 106 106 LYS H H 105 8.320 7.996 0.324 1
1 1254 . 13 1 1 A 106 106 LYS HA H 105 4.390 4.720 -0.330 1
1 1263 . 13 1 1 A 106 106 LYS C C 105 176.800 174.350 2.450 1
1 1264 . 13 1 1 A 106 106 LYS CA C 105 56.700 55.460 1.240 1
1 1265 . 13 1 1 A 106 106 LYS CB C 105 32.800 35.095 -2.295 1
1 1269 . 13 1 1 A 106 106 LYS N N 105 121.900 118.203 3.697 1
1 1270 . 13 1 1 A 107 107 THR H H 106 8.150 8.755 -0.605 1
1 1271 . 13 1 1 A 107 107 THR HA H 106 4.430 4.856 -0.426 1
1 1276 . 13 1 1 A 107 107 THR C C 106 174.600 173.791 0.809 1
1 1277 . 13 1 1 A 107 107 THR CA C 106 62.000 62.065 -0.065 1
1 1278 . 13 1 1 A 107 107 THR CB C 106 70.000 69.636 0.364 1
1 1280 . 13 1 1 A 107 107 THR N N 106 115.000 117.839 -2.839 1
1 1281 . 13 1 1 A 108 108 THR H H 107 8.190 8.870 -0.680 1
1 1282 . 13 1 1 A 108 108 THR HA H 107 4.440 4.879 -0.439 1
1 1287 . 13 1 1 A 108 108 THR C C 107 174.500 174.573 -0.073 1
1 1288 . 13 1 1 A 108 108 THR CA C 107 62.000 61.330 0.670 1
1 1289 . 13 1 1 A 108 108 THR CB C 107 69.800 70.888 -1.088 1
1 1291 . 13 1 1 A 108 108 THR N N 107 116.500 121.343 -4.843 1
1 1292 . 13 1 1 A 109 109 THR H H 108 8.170 8.708 -0.538 1
1 1293 . 13 1 1 A 109 109 THR HA H 108 4.350 4.033 0.317 1
1 1298 . 13 1 1 A 109 109 THR C C 108 174.200 174.173 0.027 1
1 1299 . 13 1 1 A 109 109 THR CA C 108 62.000 65.707 -3.707 1
1 1300 . 13 1 1 A 109 109 THR CB C 108 69.800 69.114 0.686 1
1 1302 . 13 1 1 A 109 109 THR N N 108 117.200 121.180 -3.980 1
1 1303 . 13 1 1 A 110 110 VAL H H 109 8.100 7.734 0.366 1
1 1304 . 13 1 1 A 110 110 VAL HA H 109 4.040 4.495 -0.455 1
1 1312 . 13 1 1 A 110 110 VAL C C 109 175.200 173.402 1.798 1
1 1313 . 13 1 1 A 110 110 VAL CA C 109 62.300 59.548 2.752 1
1 1314 . 13 1 1 A 110 110 VAL CB C 109 32.600 35.443 -2.843 1
1 1316 . 13 1 1 A 110 110 VAL N N 109 123.100 117.882 5.218 1
1 1317 . 13 1 1 A 111 111 LYS H H 110 8.200 8.169 0.031 1
1 1318 . 13 1 1 A 111 111 LYS HA H 110 4.310 4.832 -0.522 1
1 1327 . 13 1 1 A 111 111 LYS C C 110 175.700 175.720 -0.020 1
1 1328 . 13 1 1 A 111 111 LYS CA C 110 55.700 55.259 0.441 1
1 1329 . 13 1 1 A 111 111 LYS CB C 110 33.300 33.880 -0.580 1
1 1333 . 13 1 1 A 111 111 LYS N N 110 125.200 121.929 3.271 1
1 1334 . 13 1 1 A 112 112 PHE H H 111 8.310 9.135 -0.825 1
1 1335 . 13 1 1 A 112 112 PHE HA H 111 4.650 4.764 -0.114 1
1 1338 . 13 1 1 A 112 112 PHE C C 111 174.500 174.747 -0.247 1
1 1339 . 13 1 1 A 112 112 PHE CA C 111 57.500 56.169 1.331 1
1 1340 . 13 1 1 A 112 112 PHE CB C 111 39.700 36.777 2.923 1
1 1341 . 13 1 1 A 112 112 PHE N N 111 122.100 121.401 0.699 1
1 1 . 14 1 1 A 2 2 SER H H 1 8.780 8.377 0.403 1
1 2 . 14 1 1 A 2 2 SER HA H 1 4.480 4.857 -0.377 1
1 5 . 14 1 1 A 2 2 SER C C 1 175.000 175.734 -0.734 1
1 6 . 14 1 1 A 2 2 SER CA C 1 59.100 57.003 2.097 1
1 7 . 14 1 1 A 2 2 SER CB C 1 63.900 63.044 0.856 1
1 8 . 14 1 1 A 2 2 SER N N 1 116.600 112.525 4.075 1
1 9 . 14 1 1 A 3 3 ALA H H 2 8.710 8.041 0.669 1
1 10 . 14 1 1 A 3 3 ALA HA H 2 4.310 3.947 0.363 1
1 14 . 14 1 1 A 3 3 ALA C C 2 178.800 179.402 -0.602 1
1 15 . 14 1 1 A 3 3 ALA CA C 2 53.800 55.381 -1.581 1
1 16 . 14 1 1 A 3 3 ALA CB C 2 18.500 18.629 -0.129 1
1 17 . 14 1 1 A 3 3 ALA N N 2 125.500 125.344 0.156 1
1 18 . 14 1 1 A 4 4 ASP H H 3 8.190 8.141 0.049 1
1 19 . 14 1 1 A 4 4 ASP HA H 3 4.500 4.389 0.111 1
1 22 . 14 1 1 A 4 4 ASP C C 3 177.700 179.079 -1.379 1
1 23 . 14 1 1 A 4 4 ASP CA C 3 55.900 57.092 -1.192 1
1 24 . 14 1 1 A 4 4 ASP CB C 3 40.500 40.201 0.299 1
1 25 . 14 1 1 A 4 4 ASP N N 3 117.800 118.140 -0.340 1
1 26 . 14 1 1 A 5 5 GLU H H 4 8.150 8.177 -0.027 1
1 27 . 14 1 1 A 5 5 GLU HA H 4 4.140 4.054 0.086 1
1 32 . 14 1 1 A 5 5 GLU C C 4 178.600 178.985 -0.385 1
1 33 . 14 1 1 A 5 5 GLU CA C 4 58.600 59.064 -0.464 1
1 34 . 14 1 1 A 5 5 GLU CB C 4 29.100 29.757 -0.657 1
1 36 . 14 1 1 A 5 5 GLU N N 4 120.800 120.721 0.079 1
1 37 . 14 1 1 A 6 6 GLU H H 5 8.250 8.691 -0.441 1
1 38 . 14 1 1 A 6 6 GLU HA H 5 4.200 4.050 0.150 1
1 43 . 14 1 1 A 6 6 GLU C C 5 178.300 179.276 -0.976 1
1 44 . 14 1 1 A 6 6 GLU CA C 5 58.600 58.888 -0.288 1
1 45 . 14 1 1 A 6 6 GLU CB C 5 28.800 29.629 -0.829 1
1 47 . 14 1 1 A 6 6 GLU N N 5 120.800 120.792 0.008 1
1 48 . 14 1 1 A 7 7 LEU H H 6 7.990 8.164 -0.174 1
1 49 . 14 1 1 A 7 7 LEU HA H 6 4.170 4.081 0.089 1
1 58 . 14 1 1 A 7 7 LEU C C 6 179.500 178.315 1.185 1
1 59 . 14 1 1 A 7 7 LEU CA C 6 57.500 57.822 -0.322 1
1 60 . 14 1 1 A 7 7 LEU CB C 6 41.600 41.609 -0.009 1
1 64 . 14 1 1 A 7 7 LEU N N 6 120.900 120.793 0.107 1
1 65 . 14 1 1 A 8 8 GLU H H 7 8.130 8.584 -0.454 1
1 66 . 14 1 1 A 8 8 GLU HA H 7 4.160 3.907 0.253 1
1 71 . 14 1 1 A 8 8 GLU C C 7 178.300 178.330 -0.030 1
1 72 . 14 1 1 A 8 8 GLU CA C 7 58.800 59.699 -0.899 1
1 73 . 14 1 1 A 8 8 GLU CB C 7 28.800 29.472 -0.672 1
1 75 . 14 1 1 A 8 8 GLU N N 7 120.100 119.338 0.762 1
1 76 . 14 1 1 A 9 9 ALA H H 8 8.030 8.043 -0.013 1
1 77 . 14 1 1 A 9 9 ALA HA H 8 4.090 4.118 -0.028 1
1 81 . 14 1 1 A 9 9 ALA C C 8 180.500 180.101 0.399 1
1 82 . 14 1 1 A 9 9 ALA CA C 8 55.100 55.213 -0.113 1
1 83 . 14 1 1 A 9 9 ALA CB C 8 17.900 18.092 -0.192 1
1 84 . 14 1 1 A 9 9 ALA N N 8 122.100 122.462 -0.362 1
1 85 . 14 1 1 A 10 10 LEU H H 9 7.890 8.244 -0.354 1
1 86 . 14 1 1 A 10 10 LEU HA H 9 4.160 4.077 0.083 1
1 95 . 14 1 1 A 10 10 LEU C C 9 179.200 178.497 0.703 1
1 96 . 14 1 1 A 10 10 LEU CA C 9 57.500 57.590 -0.090 1
1 97 . 14 1 1 A 10 10 LEU CB C 9 41.800 41.693 0.107 1
1 101 . 14 1 1 A 10 10 LEU N N 9 119.500 119.787 -0.287 1
1 102 . 14 1 1 A 11 11 ARG H H 10 8.080 8.232 -0.152 1
1 103 . 14 1 1 A 11 11 ARG HA H 10 4.010 3.831 0.179 1
1 110 . 14 1 1 A 11 11 ARG C C 10 178.900 178.741 0.159 1
1 111 . 14 1 1 A 11 11 ARG CA C 10 59.400 59.743 -0.343 1
1 112 . 14 1 1 A 11 11 ARG CB C 10 30.100 29.564 0.536 1
1 115 . 14 1 1 A 11 11 ARG N N 10 120.400 118.924 1.476 1
1 116 . 14 1 1 A 12 12 ARG H H 11 8.170 7.963 0.207 1
1 117 . 14 1 1 A 12 12 ARG HA H 11 4.040 4.198 -0.158 1
1 124 . 14 1 1 A 12 12 ARG C C 11 178.900 178.947 -0.047 1
1 125 . 14 1 1 A 12 12 ARG CA C 11 59.300 58.894 0.406 1
1 126 . 14 1 1 A 12 12 ARG CB C 11 30.000 29.798 0.202 1
1 129 . 14 1 1 A 12 12 ARG N N 11 118.400 119.559 -1.159 1
1 130 . 14 1 1 A 13 13 GLN H H 12 8.060 8.406 -0.346 1
1 131 . 14 1 1 A 13 13 GLN HA H 12 4.150 3.999 0.151 1
1 136 . 14 1 1 A 13 13 GLN C C 12 177.900 178.566 -0.666 1
1 137 . 14 1 1 A 13 13 GLN CA C 12 58.600 59.136 -0.536 1
1 138 . 14 1 1 A 13 13 GLN CB C 12 28.500 28.477 0.023 1
1 140 . 14 1 1 A 13 13 GLN N N 12 120.400 119.184 1.216 1
1 141 . 14 1 1 A 14 14 ARG H H 13 8.180 8.192 -0.012 1
1 142 . 14 1 1 A 14 14 ARG HA H 13 4.160 4.079 0.081 1
1 149 . 14 1 1 A 14 14 ARG C C 13 178.600 178.196 0.404 1
1 150 . 14 1 1 A 14 14 ARG CA C 13 58.600 58.640 -0.040 1
1 151 . 14 1 1 A 14 14 ARG CB C 13 29.900 30.256 -0.356 1
1 154 . 14 1 1 A 14 14 ARG N N 13 119.900 120.170 -0.270 1
1 155 . 14 1 1 A 15 15 LEU H H 14 7.980 7.756 0.224 1
1 156 . 14 1 1 A 15 15 LEU HA H 14 4.180 4.058 0.122 1
1 165 . 14 1 1 A 15 15 LEU C C 14 178.800 178.607 0.193 1
1 166 . 14 1 1 A 15 15 LEU CA C 14 57.300 57.649 -0.349 1
1 167 . 14 1 1 A 15 15 LEU CB C 14 41.700 41.383 0.317 1
1 171 . 14 1 1 A 15 15 LEU N N 14 119.900 121.055 -1.155 1
1 172 . 14 1 1 A 16 16 ALA H H 15 7.930 7.971 -0.041 1
1 173 . 14 1 1 A 16 16 ALA HA H 15 4.190 4.060 0.130 1
1 177 . 14 1 1 A 16 16 ALA C C 15 180.100 179.593 0.507 1
1 178 . 14 1 1 A 16 16 ALA CA C 15 54.500 55.015 -0.515 1
1 179 . 14 1 1 A 16 16 ALA CB C 15 18.000 17.868 0.132 1
1 180 . 14 1 1 A 16 16 ALA N N 15 122.000 120.868 1.132 1
1 181 . 14 1 1 A 17 17 GLU H H 16 8.010 7.975 0.035 1
1 182 . 14 1 1 A 17 17 GLU HA H 16 4.160 4.011 0.149 1
1 187 . 14 1 1 A 17 17 GLU C C 16 178.100 179.380 -1.280 1
1 188 . 14 1 1 A 17 17 GLU CA C 16 58.100 59.339 -1.239 1
1 189 . 14 1 1 A 17 17 GLU CB C 16 28.900 29.664 -0.764 1
1 191 . 14 1 1 A 17 17 GLU N N 16 118.500 118.298 0.202 1
1 192 . 14 1 1 A 18 18 LEU H H 17 7.890 8.353 -0.463 1
1 193 . 14 1 1 A 18 18 LEU HA H 17 4.200 4.123 0.077 1
1 203 . 14 1 1 A 18 18 LEU C C 17 178.700 178.213 0.487 1
1 204 . 14 1 1 A 18 18 LEU CA C 17 56.900 57.640 -0.740 1
1 205 . 14 1 1 A 18 18 LEU CB C 17 42.100 40.464 1.636 1
1 209 . 14 1 1 A 18 18 LEU N N 17 120.400 121.535 -1.135 1
1 210 . 14 1 1 A 19 19 GLN H H 18 8.020 7.530 0.490 1
1 211 . 14 1 1 A 19 19 GLN HA H 18 4.200 4.421 -0.221 1
1 216 . 14 1 1 A 19 19 GLN C C 18 176.700 175.125 1.575 1
1 217 . 14 1 1 A 19 19 GLN CA C 18 56.900 55.587 1.313 1
1 218 . 14 1 1 A 19 19 GLN CB C 18 28.800 28.842 -0.042 1
1 220 . 14 1 1 A 19 19 GLN N N 18 118.500 117.063 1.437 1
1 221 . 14 1 1 A 20 20 ALA H H 19 7.850 7.992 -0.142 1
1 222 . 14 1 1 A 20 20 ALA HA H 19 4.240 4.054 0.186 1
1 226 . 14 1 1 A 20 20 ALA C C 19 178.000 176.813 1.187 1
1 227 . 14 1 1 A 20 20 ALA CA C 19 53.100 53.395 -0.295 1
1 228 . 14 1 1 A 20 20 ALA CB C 19 18.700 17.607 1.093 1
1 229 . 14 1 1 A 20 20 ALA N N 19 122.700 120.771 1.929 1
1 230 . 14 1 1 A 21 21 LYS H H 20 7.950 8.604 -0.654 1
1 231 . 14 1 1 A 21 21 LYS HA H 20 4.260 4.223 0.037 1
1 238 . 14 1 1 A 21 21 LYS C C 20 176.600 176.022 0.578 1
1 239 . 14 1 1 A 21 21 LYS CA C 20 56.500 58.555 -2.055 1
1 240 . 14 1 1 A 21 21 LYS CB C 20 32.600 32.069 0.531 1
1 244 . 14 1 1 A 21 21 LYS N N 20 118.800 114.453 4.347 1
1 245 . 14 1 1 A 22 22 HIS H H 21 8.320 7.965 0.355 1
1 246 . 14 1 1 A 22 22 HIS HA H 21 4.730 4.746 -0.016 1
1 249 . 14 1 1 A 22 22 HIS C C 21 174.800 174.352 0.448 1
1 250 . 14 1 1 A 22 22 HIS CA C 21 55.400 54.867 0.533 1
1 251 . 14 1 1 A 22 22 HIS CB C 21 28.800 31.056 -2.256 1
1 252 . 14 1 1 A 22 22 HIS N N 21 118.600 119.062 -0.462 1
1 253 . 14 1 1 A 23 23 GLY H H 22 8.360 8.213 0.147 1
1 254 . 14 1 1 A 23 23 GLY HA2 H 22 3.960 3.882 0.078 1
1 255 . 14 1 1 A 23 23 GLY HA3 H 22 3.960 3.889 0.071 1
1 256 . 14 1 1 A 23 23 GLY C C 22 173.200 173.499 -0.299 1
1 257 . 14 1 1 A 23 23 GLY CA C 22 45.000 46.693 -1.693 1
1 258 . 14 1 1 A 23 23 GLY N N 22 109.600 108.848 0.752 1
1 259 . 14 1 1 A 24 24 ASP H H 23 8.320 7.893 0.427 1
1 260 . 14 1 1 A 24 24 ASP HA H 23 4.940 5.002 -0.062 1
1 263 . 14 1 1 A 24 24 ASP C C 23 174.900 176.245 -1.345 1
1 264 . 14 1 1 A 24 24 ASP CA C 23 52.200 51.975 0.225 1
1 265 . 14 1 1 A 24 24 ASP CB C 23 41.300 41.278 0.022 1
1 266 . 14 1 1 A 24 24 ASP N N 23 121.600 122.073 -0.473 1
1 267 . 14 1 1 A 25 25 PRO HA H 24 4.430 4.608 -0.178 1
1 274 . 14 1 1 A 25 25 PRO C C 24 177.800 175.826 1.974 1
1 275 . 14 1 1 A 25 25 PRO CA C 24 64.100 63.219 0.881 1
1 276 . 14 1 1 A 25 25 PRO CB C 24 31.900 30.925 0.975 1
1 279 . 14 1 1 A 26 26 GLY H H 25 8.520 8.147 0.373 1
1 280 . 14 1 1 A 26 26 GLY HA2 H 25 3.940 4.053 -0.113 1
1 281 . 14 1 1 A 26 26 GLY HA3 H 25 3.940 4.058 -0.118 1
1 282 . 14 1 1 A 26 26 GLY C C 25 174.400 174.816 -0.416 1
1 283 . 14 1 1 A 26 26 GLY CA C 25 45.500 44.257 1.243 1
1 284 . 14 1 1 A 26 26 GLY N N 25 108.300 110.141 -1.841 1
1 285 . 14 1 1 A 27 27 ASP H H 26 8.100 8.797 -0.697 1
1 286 . 14 1 1 A 27 27 ASP HA H 26 4.610 4.347 0.263 1
1 289 . 14 1 1 A 27 27 ASP C C 26 176.900 177.919 -1.019 1
1 290 . 14 1 1 A 27 27 ASP CA C 26 54.800 57.194 -2.394 1
1 291 . 14 1 1 A 27 27 ASP CB C 26 40.800 40.680 0.120 1
1 292 . 14 1 1 A 27 27 ASP N N 26 120.700 120.065 0.635 1
1 293 . 14 1 1 A 28 28 ALA H H 27 8.320 8.016 0.304 1
1 294 . 14 1 1 A 28 28 ALA HA H 27 4.180 4.141 0.039 1
1 298 . 14 1 1 A 28 28 ALA C C 27 179.300 179.736 -0.436 1
1 299 . 14 1 1 A 28 28 ALA CA C 27 54.600 54.673 -0.073 1
1 300 . 14 1 1 A 28 28 ALA CB C 27 18.400 18.620 -0.220 1
1 301 . 14 1 1 A 28 28 ALA N N 27 124.100 120.727 3.373 1
1 302 . 14 1 1 A 29 29 ALA H H 28 8.250 8.147 0.103 1
1 303 . 14 1 1 A 29 29 ALA HA H 28 4.230 4.007 0.223 1
1 307 . 14 1 1 A 29 29 ALA C C 28 180.000 179.938 0.062 1
1 308 . 14 1 1 A 29 29 ALA CA C 28 54.300 55.239 -0.939 1
1 309 . 14 1 1 A 29 29 ALA CB C 28 18.200 18.383 -0.183 1
1 310 . 14 1 1 A 29 29 ALA N N 28 121.200 119.944 1.256 1
1 311 . 14 1 1 A 30 30 GLN H H 29 8.120 7.980 0.140 1
1 312 . 14 1 1 A 30 30 GLN HA H 29 4.230 4.057 0.173 1
1 317 . 14 1 1 A 30 30 GLN C C 29 177.900 178.378 -0.478 1
1 318 . 14 1 1 A 30 30 GLN CA C 29 57.800 58.211 -0.411 1
1 319 . 14 1 1 A 30 30 GLN CB C 29 28.600 28.249 0.351 1
1 321 . 14 1 1 A 30 30 GLN N N 29 118.800 117.598 1.202 1
1 322 . 14 1 1 A 31 31 GLN H H 30 8.240 8.175 0.065 1
1 323 . 14 1 1 A 31 31 GLN HA H 30 4.120 3.965 0.155 1
1 328 . 14 1 1 A 31 31 GLN C C 30 178.100 178.634 -0.534 1
1 329 . 14 1 1 A 31 31 GLN CA C 30 58.000 59.078 -1.078 1
1 330 . 14 1 1 A 31 31 GLN CB C 30 28.500 28.442 0.058 1
1 332 . 14 1 1 A 31 31 GLN N N 30 119.600 120.267 -0.667 1
1 333 . 14 1 1 A 32 32 GLU H H 31 8.300 8.088 0.212 1
1 334 . 14 1 1 A 32 32 GLU HA H 31 4.190 4.151 0.039 1
1 339 . 14 1 1 A 32 32 GLU C C 31 178.100 179.442 -1.342 1
1 340 . 14 1 1 A 32 32 GLU CA C 31 58.600 59.115 -0.515 1
1 341 . 14 1 1 A 32 32 GLU CB C 31 28.800 28.938 -0.138 1
1 343 . 14 1 1 A 32 32 GLU N N 31 120.800 119.149 1.651 1
1 344 . 14 1 1 A 33 33 ALA H H 32 8.070 8.429 -0.359 1
1 345 . 14 1 1 A 33 33 ALA HA H 32 4.160 4.088 0.072 1
1 349 . 14 1 1 A 33 33 ALA C C 32 179.900 179.153 0.747 1
1 350 . 14 1 1 A 33 33 ALA CA C 32 54.900 55.444 -0.544 1
1 351 . 14 1 1 A 33 33 ALA CB C 32 18.200 18.402 -0.202 1
1 352 . 14 1 1 A 33 33 ALA N N 32 123.000 122.748 0.252 1
1 353 . 14 1 1 A 34 34 LYS H H 33 8.050 8.142 -0.092 1
1 354 . 14 1 1 A 34 34 LYS HA H 33 4.150 4.085 0.065 1
1 363 . 14 1 1 A 34 34 LYS C C 33 178.900 178.372 0.528 1
1 364 . 14 1 1 A 34 34 LYS CA C 33 58.600 59.635 -1.035 1
1 365 . 14 1 1 A 34 34 LYS CB C 33 32.300 32.085 0.215 1
1 369 . 14 1 1 A 34 34 LYS N N 33 118.600 118.914 -0.314 1
1 370 . 14 1 1 A 35 35 HIS H H 34 8.240 8.519 -0.279 1
1 371 . 14 1 1 A 35 35 HIS HA H 34 4.580 4.219 0.361 1
1 374 . 14 1 1 A 35 35 HIS C C 34 176.300 177.461 -1.161 1
1 375 . 14 1 1 A 35 35 HIS CA C 34 57.800 60.001 -2.201 1
1 376 . 14 1 1 A 35 35 HIS CB C 34 28.300 29.506 -1.206 1
1 377 . 14 1 1 A 35 35 HIS N N 34 119.100 119.489 -0.389 1
1 378 . 14 1 1 A 36 36 ARG H H 35 8.390 8.341 0.049 1
1 379 . 14 1 1 A 36 36 ARG HA H 35 4.160 3.891 0.269 1
1 386 . 14 1 1 A 36 36 ARG C C 35 178.500 178.748 -0.248 1
1 387 . 14 1 1 A 36 36 ARG CA C 35 58.800 58.717 0.083 1
1 388 . 14 1 1 A 36 36 ARG CB C 35 29.200 29.667 -0.467 1
1 391 . 14 1 1 A 36 36 ARG N N 35 120.600 118.960 1.640 1
1 392 . 14 1 1 A 37 37 GLU H H 36 8.240 8.174 0.066 1
1 393 . 14 1 1 A 37 37 GLU HA H 36 4.080 4.029 0.051 1
1 398 . 14 1 1 A 37 37 GLU C C 36 178.200 179.009 -0.809 1
1 399 . 14 1 1 A 37 37 GLU CA C 36 59.100 59.103 -0.003 1
1 400 . 14 1 1 A 37 37 GLU CB C 36 29.100 28.920 0.180 1
1 402 . 14 1 1 A 37 37 GLU N N 36 120.400 119.659 0.741 1
1 403 . 14 1 1 A 38 38 ALA H H 37 7.980 8.280 -0.300 1
1 404 . 14 1 1 A 38 38 ALA HA H 37 4.100 4.088 0.012 1
1 408 . 14 1 1 A 38 38 ALA C C 37 179.800 179.578 0.222 1
1 409 . 14 1 1 A 38 38 ALA CA C 37 55.100 55.348 -0.248 1
1 410 . 14 1 1 A 38 38 ALA CB C 37 18.000 18.445 -0.445 1
1 411 . 14 1 1 A 38 38 ALA N N 37 122.000 122.904 -0.904 1
1 412 . 14 1 1 A 39 39 GLU H H 38 8.050 8.239 -0.189 1
1 413 . 14 1 1 A 39 39 GLU HA H 38 4.120 3.970 0.150 1
1 418 . 14 1 1 A 39 39 GLU C C 38 179.000 179.716 -0.716 1
1 419 . 14 1 1 A 39 39 GLU CA C 38 58.800 59.651 -0.851 1
1 420 . 14 1 1 A 39 39 GLU CB C 38 29.100 29.103 -0.003 1
1 422 . 14 1 1 A 39 39 GLU N N 38 118.200 118.140 0.060 1
1 423 . 14 1 1 A 40 40 MET H H 39 8.130 7.889 0.241 1
1 424 . 14 1 1 A 40 40 MET HA H 39 4.200 4.143 0.057 1
1 429 . 14 1 1 A 40 40 MET C C 39 178.200 178.808 -0.608 1
1 430 . 14 1 1 A 40 40 MET CA C 39 58.100 59.709 -1.609 1
1 431 . 14 1 1 A 40 40 MET CB C 39 32.300 32.817 -0.517 1
1 433 . 14 1 1 A 40 40 MET N N 39 120.300 119.194 1.106 1
1 434 . 14 1 1 A 41 41 ARG HA H 40 3.890 4.135 -0.245 1
1 441 . 14 1 1 A 41 41 ARG C C 40 177.700 179.376 -1.676 1
1 442 . 14 1 1 A 41 41 ARG CA C 40 59.500 58.761 0.739 1
1 443 . 14 1 1 A 41 41 ARG CB C 40 30.300 29.517 0.783 1
1 444 . 14 1 1 A 42 42 ASN H H 41 8.190 8.719 -0.529 1
1 445 . 14 1 1 A 42 42 ASN HA H 41 4.440 4.523 -0.083 1
1 450 . 14 1 1 A 42 42 ASN C C 41 177.700 177.646 0.054 1
1 451 . 14 1 1 A 42 42 ASN CA C 41 55.900 56.195 -0.295 1
1 452 . 14 1 1 A 42 42 ASN CB C 41 38.100 39.416 -1.316 1
1 453 . 14 1 1 A 42 42 ASN N N 41 116.300 118.164 -1.864 1
1 455 . 14 1 1 A 43 43 SER H H 42 8.130 7.988 0.142 1
1 456 . 14 1 1 A 43 43 SER HA H 42 4.300 4.070 0.230 1
1 459 . 14 1 1 A 43 43 SER C C 42 176.600 176.925 -0.325 1
1 460 . 14 1 1 A 43 43 SER CA C 42 61.200 62.316 -1.116 1
1 461 . 14 1 1 A 43 43 SER CB C 42 63.100 62.988 0.112 1
1 462 . 14 1 1 A 43 43 SER N N 42 116.300 116.171 0.129 1
1 463 . 14 1 1 A 44 44 ILE H H 43 7.940 7.524 0.416 1
1 464 . 14 1 1 A 44 44 ILE HA H 43 3.860 3.801 0.059 1
1 474 . 14 1 1 A 44 44 ILE C C 43 178.400 178.197 0.203 1
1 475 . 14 1 1 A 44 44 ILE CA C 43 64.500 64.458 0.042 1
1 476 . 14 1 1 A 44 44 ILE CB C 43 37.900 37.513 0.387 1
1 480 . 14 1 1 A 44 44 ILE N N 43 122.500 118.367 4.133 1
1 481 . 14 1 1 A 45 45 LEU H H 44 8.070 8.386 -0.316 1
1 482 . 14 1 1 A 45 45 LEU HA H 44 3.940 3.934 0.006 1
1 492 . 14 1 1 A 45 45 LEU C C 44 178.200 179.305 -1.105 1
1 493 . 14 1 1 A 45 45 LEU CA C 44 58.100 57.923 0.177 1
1 494 . 14 1 1 A 45 45 LEU CB C 44 41.100 41.285 -0.185 1
1 498 . 14 1 1 A 45 45 LEU N N 44 119.100 121.918 -2.818 1
1 499 . 14 1 1 A 46 46 ALA H H 45 7.760 8.388 -0.628 1
1 500 . 14 1 1 A 46 46 ALA HA H 45 4.100 4.068 0.032 1
1 504 . 14 1 1 A 46 46 ALA C C 45 178.700 178.918 -0.218 1
1 505 . 14 1 1 A 46 46 ALA CA C 45 54.100 54.676 -0.576 1
1 506 . 14 1 1 A 46 46 ALA CB C 45 18.100 18.156 -0.056 1
1 507 . 14 1 1 A 46 46 ALA N N 45 117.600 121.989 -4.389 1
1 508 . 14 1 1 A 47 47 GLN H H 46 7.570 7.883 -0.313 1
1 509 . 14 1 1 A 47 47 GLN HA H 46 4.270 4.247 0.023 1
1 514 . 14 1 1 A 47 47 GLN C C 46 177.800 177.488 0.312 1
1 515 . 14 1 1 A 47 47 GLN CA C 46 57.300 57.412 -0.112 1
1 516 . 14 1 1 A 47 47 GLN CB C 46 29.500 29.190 0.310 1
1 518 . 14 1 1 A 47 47 GLN N N 46 114.300 115.200 -0.900 1
1 519 . 14 1 1 A 48 48 VAL H H 47 7.690 7.269 0.421 1
1 520 . 14 1 1 A 48 48 VAL HA H 47 4.380 4.061 0.319 1
1 528 . 14 1 1 A 48 48 VAL C C 47 174.400 175.842 -1.442 1
1 529 . 14 1 1 A 48 48 VAL CA C 47 62.600 64.377 -1.777 1
1 530 . 14 1 1 A 48 48 VAL CB C 47 32.800 32.936 -0.136 1
1 533 . 14 1 1 A 48 48 VAL N N 47 111.900 118.146 -6.246 1
1 534 . 14 1 1 A 49 49 LEU H H 48 7.480 8.085 -0.605 1
1 535 . 14 1 1 A 49 49 LEU HA H 48 4.910 4.400 0.510 1
1 545 . 14 1 1 A 49 49 LEU C C 48 177.000 175.980 1.020 1
1 546 . 14 1 1 A 49 49 LEU CA C 48 53.700 53.927 -0.227 1
1 547 . 14 1 1 A 49 49 LEU CB C 48 44.500 42.974 1.526 1
1 551 . 14 1 1 A 49 49 LEU N N 48 119.600 118.537 1.063 1
1 552 . 14 1 1 A 50 50 ASP H H 49 8.430 8.587 -0.157 1
1 553 . 14 1 1 A 50 50 ASP HA H 49 4.630 4.607 0.023 1
1 556 . 14 1 1 A 50 50 ASP C C 49 176.000 177.379 -1.379 1
1 557 . 14 1 1 A 50 50 ASP CA C 49 53.000 53.983 -0.983 1
1 558 . 14 1 1 A 50 50 ASP CB C 49 40.200 42.431 -2.231 1
1 559 . 14 1 1 A 50 50 ASP N N 49 121.200 125.404 -4.204 1
1 560 . 14 1 1 A 51 51 GLN H H 50 8.580 8.995 -0.415 1
1 561 . 14 1 1 A 51 51 GLN HA H 50 3.950 3.972 -0.022 1
1 566 . 14 1 1 A 51 51 GLN C C 50 178.800 177.567 1.233 1
1 567 . 14 1 1 A 51 51 GLN CA C 50 60.200 58.802 1.398 1
1 568 . 14 1 1 A 51 51 GLN CB C 50 28.300 28.093 0.207 1
1 570 . 14 1 1 A 51 51 GLN N N 50 118.200 125.823 -7.623 1
1 571 . 14 1 1 A 52 52 SER H H 51 8.430 8.476 -0.046 1
1 572 . 14 1 1 A 52 52 SER HA H 51 4.320 4.164 0.156 1
1 575 . 14 1 1 A 52 52 SER C C 51 177.200 176.332 0.868 1
1 576 . 14 1 1 A 52 52 SER CA C 51 61.500 61.675 -0.175 1
1 577 . 14 1 1 A 52 52 SER CB C 51 62.400 62.962 -0.562 1
1 578 . 14 1 1 A 52 52 SER N N 51 117.000 117.266 -0.266 1
1 579 . 14 1 1 A 53 53 ALA H H 52 8.760 7.931 0.829 1
1 580 . 14 1 1 A 53 53 ALA HA H 52 3.960 4.057 -0.097 1
1 584 . 14 1 1 A 53 53 ALA C C 52 178.900 179.174 -0.274 1
1 585 . 14 1 1 A 53 53 ALA CA C 52 55.400 54.931 0.469 1
1 586 . 14 1 1 A 53 53 ALA CB C 52 19.200 18.361 0.839 1
1 587 . 14 1 1 A 53 53 ALA N N 52 127.400 123.369 4.031 1
1 588 . 14 1 1 A 54 54 ARG H H 53 8.640 8.076 0.564 1
1 589 . 14 1 1 A 54 54 ARG HA H 53 3.880 3.976 -0.096 1
1 596 . 14 1 1 A 54 54 ARG C C 53 179.000 178.736 0.264 1
1 597 . 14 1 1 A 54 54 ARG CA C 53 59.700 59.450 0.250 1
1 598 . 14 1 1 A 54 54 ARG CB C 53 29.900 30.231 -0.331 1
1 601 . 14 1 1 A 54 54 ARG N N 53 118.200 117.937 0.263 1
1 602 . 14 1 1 A 55 55 ALA H H 54 7.960 8.136 -0.176 1
1 603 . 14 1 1 A 55 55 ALA HA H 54 4.190 3.999 0.191 1
1 607 . 14 1 1 A 55 55 ALA C C 54 180.100 179.306 0.794 1
1 608 . 14 1 1 A 55 55 ALA CA C 54 55.100 55.187 -0.087 1
1 609 . 14 1 1 A 55 55 ALA CB C 54 17.700 18.158 -0.458 1
1 610 . 14 1 1 A 55 55 ALA N N 54 122.200 121.862 0.338 1
1 611 . 14 1 1 A 56 56 ARG H H 55 7.800 7.666 0.134 1
1 612 . 14 1 1 A 56 56 ARG HA H 55 4.160 4.332 -0.172 1
1 619 . 14 1 1 A 56 56 ARG C C 55 178.900 178.205 0.695 1
1 620 . 14 1 1 A 56 56 ARG CA C 55 58.300 58.588 -0.288 1
1 621 . 14 1 1 A 56 56 ARG CB C 55 29.100 29.944 -0.844 1
1 624 . 14 1 1 A 56 56 ARG N N 55 119.100 118.979 0.121 1
1 625 . 14 1 1 A 57 57 LEU H H 56 8.390 8.206 0.184 1
1 626 . 14 1 1 A 57 57 LEU HA H 56 4.060 4.104 -0.044 1
1 635 . 14 1 1 A 57 57 LEU C C 56 178.100 178.297 -0.197 1
1 636 . 14 1 1 A 57 57 LEU CA C 56 57.800 57.993 -0.193 1
1 637 . 14 1 1 A 57 57 LEU CB C 56 41.600 41.400 0.200 1
1 641 . 14 1 1 A 57 57 LEU N N 56 120.600 121.233 -0.633 1
1 642 . 14 1 1 A 58 58 SER H H 57 8.150 8.082 0.068 1
1 643 . 14 1 1 A 58 58 SER HA H 57 4.210 4.181 0.029 1
1 646 . 14 1 1 A 58 58 SER C C 57 176.500 177.267 -0.767 1
1 647 . 14 1 1 A 58 58 SER CA C 57 61.800 61.216 0.584 1
1 648 . 14 1 1 A 58 58 SER CB C 57 62.600 63.221 -0.621 1
1 649 . 14 1 1 A 58 58 SER N N 57 114.100 114.731 -0.631 1
1 650 . 14 1 1 A 59 59 ASN H H 58 7.700 8.062 -0.362 1
1 651 . 14 1 1 A 59 59 ASN HA H 58 4.580 4.503 0.077 1
1 656 . 14 1 1 A 59 59 ASN C C 58 178.000 178.311 -0.311 1
1 657 . 14 1 1 A 59 59 ASN CA C 58 56.200 56.337 -0.137 1
1 658 . 14 1 1 A 59 59 ASN CB C 58 38.700 37.914 0.786 1
1 659 . 14 1 1 A 59 59 ASN N N 58 119.500 120.627 -1.127 1
1 661 . 14 1 1 A 60 60 LEU H H 59 8.250 7.861 0.389 1
1 662 . 14 1 1 A 60 60 LEU HA H 59 4.070 4.165 -0.095 1
1 671 . 14 1 1 A 60 60 LEU C C 59 178.400 179.456 -1.056 1
1 672 . 14 1 1 A 60 60 LEU CA C 59 57.500 57.631 -0.131 1
1 673 . 14 1 1 A 60 60 LEU CB C 59 42.100 40.963 1.137 1
1 677 . 14 1 1 A 60 60 LEU N N 59 123.000 120.950 2.050 1
1 678 . 14 1 1 A 61 61 ALA H H 60 8.070 8.058 0.012 1
1 679 . 14 1 1 A 61 61 ALA HA H 60 3.910 4.504 -0.594 1
1 683 . 14 1 1 A 61 61 ALA C C 60 178.400 180.454 -2.054 1
1 684 . 14 1 1 A 61 61 ALA CA C 60 54.600 55.193 -0.593 1
1 685 . 14 1 1 A 61 61 ALA CB C 60 18.200 18.286 -0.086 1
1 686 . 14 1 1 A 61 61 ALA N N 60 120.700 122.825 -2.125 1
1 687 . 14 1 1 A 62 62 LEU H H 61 7.170 7.919 -0.749 1
1 688 . 14 1 1 A 62 62 LEU HA H 61 4.200 4.028 0.172 1
1 695 . 14 1 1 A 62 62 LEU C C 61 178.300 178.407 -0.107 1
1 696 . 14 1 1 A 62 62 LEU CA C 61 56.500 57.562 -1.062 1
1 697 . 14 1 1 A 62 62 LEU CB C 61 42.100 41.743 0.357 1
1 701 . 14 1 1 A 62 62 LEU N N 61 113.700 119.285 -5.585 1
1 702 . 14 1 1 A 63 63 VAL H H 62 7.330 7.098 0.232 1
1 703 . 14 1 1 A 63 63 VAL HA H 62 4.380 4.210 0.170 1
1 711 . 14 1 1 A 63 63 VAL C C 62 176.200 176.094 0.106 1
1 712 . 14 1 1 A 63 63 VAL CA C 62 62.800 63.162 -0.362 1
1 713 . 14 1 1 A 63 63 VAL CB C 62 33.900 32.758 1.142 1
1 716 . 14 1 1 A 63 63 VAL N N 62 112.500 110.557 1.943 1
1 717 . 14 1 1 A 64 64 LYS H H 63 8.710 8.012 0.698 1
1 718 . 14 1 1 A 64 64 LYS HA H 63 5.000 4.642 0.358 1
1 727 . 14 1 1 A 64 64 LYS C C 63 174.200 175.101 -0.901 1
1 728 . 14 1 1 A 64 64 LYS CA C 63 53.600 53.246 0.354 1
1 729 . 14 1 1 A 64 64 LYS CB C 63 33.400 34.271 -0.871 1
1 733 . 14 1 1 A 64 64 LYS N N 63 120.400 120.763 -0.363 1
1 734 . 14 1 1 A 65 65 PRO HA H 64 4.360 4.578 -0.218 1
1 741 . 14 1 1 A 65 65 PRO C C 64 179.400 178.464 0.936 1
1 742 . 14 1 1 A 65 65 PRO CA C 64 66.000 64.672 1.328 1
1 743 . 14 1 1 A 65 65 PRO CB C 64 31.400 31.976 -0.576 1
1 746 . 14 1 1 A 66 66 GLU H H 65 8.920 8.425 0.495 1
1 747 . 14 1 1 A 66 66 GLU HA H 65 4.200 3.956 0.244 1
1 752 . 14 1 1 A 66 66 GLU C C 65 179.600 179.164 0.436 1
1 753 . 14 1 1 A 66 66 GLU CA C 65 59.400 60.201 -0.801 1
1 754 . 14 1 1 A 66 66 GLU CB C 65 28.300 29.009 -0.709 1
1 756 . 14 1 1 A 66 66 GLU N N 65 118.700 118.024 0.676 1
1 757 . 14 1 1 A 67 67 LYS H H 66 8.000 7.718 0.282 1
1 758 . 14 1 1 A 67 67 LYS HA H 66 4.160 4.137 0.023 1
1 767 . 14 1 1 A 67 67 LYS C C 66 178.400 179.003 -0.603 1
1 768 . 14 1 1 A 67 67 LYS CA C 66 58.500 58.808 -0.308 1
1 769 . 14 1 1 A 67 67 LYS CB C 66 32.300 32.106 0.194 1
1 773 . 14 1 1 A 67 67 LYS N N 66 121.300 119.606 1.694 1
1 774 . 14 1 1 A 68 68 THR H H 67 7.960 7.586 0.374 1
1 775 . 14 1 1 A 68 68 THR HA H 67 4.130 3.827 0.303 1
1 780 . 14 1 1 A 68 68 THR C C 67 176.200 176.738 -0.538 1
1 781 . 14 1 1 A 68 68 THR CA C 67 67.800 67.362 0.438 1
1 782 . 14 1 1 A 68 68 THR CB C 67 67.800 68.566 -0.766 1
1 784 . 14 1 1 A 68 68 THR N N 67 114.200 117.021 -2.821 1
1 785 . 14 1 1 A 69 69 LYS H H 68 7.770 8.425 -0.655 1
1 786 . 14 1 1 A 69 69 LYS HA H 68 3.990 4.276 -0.286 1
1 795 . 14 1 1 A 69 69 LYS C C 68 178.100 178.665 -0.565 1
1 796 . 14 1 1 A 69 69 LYS CA C 68 59.400 58.788 0.612 1
1 797 . 14 1 1 A 69 69 LYS CB C 68 31.700 31.955 -0.255 1
1 801 . 14 1 1 A 69 69 LYS N N 68 122.000 120.047 1.953 1
1 802 . 14 1 1 A 70 70 ALA H H 69 7.480 7.940 -0.460 1
1 803 . 14 1 1 A 70 70 ALA HA H 69 4.240 4.076 0.164 1
1 807 . 14 1 1 A 70 70 ALA C C 69 181.200 179.870 1.330 1
1 808 . 14 1 1 A 70 70 ALA CA C 69 55.200 55.093 0.107 1
1 809 . 14 1 1 A 70 70 ALA CB C 69 17.900 18.465 -0.565 1
1 810 . 14 1 1 A 70 70 ALA N N 69 120.300 122.099 -1.799 1
1 811 . 14 1 1 A 71 71 VAL H H 70 8.160 7.999 0.161 1
1 812 . 14 1 1 A 71 71 VAL HA H 70 3.620 3.798 -0.178 1
1 820 . 14 1 1 A 71 71 VAL C C 70 177.400 178.218 -0.818 1
1 821 . 14 1 1 A 71 71 VAL CA C 70 66.600 65.256 1.344 1
1 822 . 14 1 1 A 71 71 VAL CB C 70 31.500 31.547 -0.047 1
1 825 . 14 1 1 A 71 71 VAL N N 70 120.300 116.632 3.668 1
1 826 . 14 1 1 A 72 72 GLU H H 71 8.690 8.892 -0.202 1
1 827 . 14 1 1 A 72 72 GLU HA H 71 3.800 3.968 -0.168 1
1 832 . 14 1 1 A 72 72 GLU C C 71 178.000 178.944 -0.944 1
1 833 . 14 1 1 A 72 72 GLU CA C 71 60.400 59.709 0.691 1
1 834 . 14 1 1 A 72 72 GLU CB C 71 29.200 29.096 0.104 1
1 836 . 14 1 1 A 72 72 GLU N N 71 119.300 122.396 -3.096 1
1 837 . 14 1 1 A 73 73 ASN H H 72 8.460 7.990 0.470 1
1 838 . 14 1 1 A 73 73 ASN HA H 72 4.440 4.484 -0.044 1
1 843 . 14 1 1 A 73 73 ASN C C 72 177.600 177.327 0.273 1
1 844 . 14 1 1 A 73 73 ASN CA C 72 56.200 56.312 -0.112 1
1 845 . 14 1 1 A 73 73 ASN CB C 72 37.600 38.910 -1.310 1
1 846 . 14 1 1 A 73 73 ASN N N 72 115.900 118.462 -2.562 1
1 848 . 14 1 1 A 74 74 TYR H H 73 7.940 8.086 -0.146 1
1 849 . 14 1 1 A 74 74 TYR HA H 73 4.200 4.466 -0.266 1
1 856 . 14 1 1 A 74 74 TYR C C 73 177.600 176.934 0.666 1
1 857 . 14 1 1 A 74 74 TYR CA C 73 61.500 61.171 0.329 1
1 858 . 14 1 1 A 74 74 TYR CB C 73 38.400 38.982 -0.582 1
1 863 . 14 1 1 A 74 74 TYR N N 73 122.400 120.815 1.585 1
1 864 . 14 1 1 A 75 75 LEU H H 74 8.410 8.411 -0.001 1
1 865 . 14 1 1 A 75 75 LEU HA H 74 3.930 3.960 -0.030 1
1 875 . 14 1 1 A 75 75 LEU C C 74 178.500 179.251 -0.751 1
1 876 . 14 1 1 A 75 75 LEU CA C 74 58.100 57.829 0.271 1
1 877 . 14 1 1 A 75 75 LEU CB C 74 42.600 41.452 1.148 1
1 881 . 14 1 1 A 75 75 LEU N N 74 119.500 120.062 -0.562 1
1 882 . 14 1 1 A 76 76 ILE H H 75 8.400 7.812 0.588 1
1 883 . 14 1 1 A 76 76 ILE HA H 75 3.570 3.430 0.140 1
1 890 . 14 1 1 A 76 76 ILE C C 75 178.100 177.788 0.312 1
1 891 . 14 1 1 A 76 76 ILE CA C 75 65.200 65.720 -0.520 1
1 892 . 14 1 1 A 76 76 ILE CB C 75 37.800 37.782 0.018 1
1 896 . 14 1 1 A 76 76 ILE N N 75 118.600 119.993 -1.393 1
1 897 . 14 1 1 A 77 77 GLN H H 76 7.830 7.636 0.194 1
1 898 . 14 1 1 A 77 77 GLN HA H 76 3.920 3.613 0.307 1
1 903 . 14 1 1 A 77 77 GLN C C 76 178.100 177.875 0.225 1
1 904 . 14 1 1 A 77 77 GLN CA C 76 59.100 58.602 0.498 1
1 905 . 14 1 1 A 77 77 GLN CB C 76 28.000 28.955 -0.955 1
1 907 . 14 1 1 A 77 77 GLN N N 76 119.300 118.572 0.728 1
1 908 . 14 1 1 A 78 78 MET H H 77 8.060 7.941 0.119 1
1 909 . 14 1 1 A 78 78 MET HA H 77 4.040 3.985 0.055 1
1 912 . 14 1 1 A 78 78 MET C C 77 178.700 177.545 1.155 1
1 913 . 14 1 1 A 78 78 MET CA C 77 58.600 58.280 0.320 1
1 914 . 14 1 1 A 78 78 MET CB C 77 33.000 32.048 0.952 1
1 916 . 14 1 1 A 78 78 MET N N 77 117.600 119.201 -1.601 1
1 917 . 14 1 1 A 79 79 ALA H H 78 8.210 7.958 0.252 1
1 918 . 14 1 1 A 79 79 ALA HA H 78 4.190 3.876 0.314 1
1 922 . 14 1 1 A 79 79 ALA C C 78 180.600 179.203 1.397 1
1 923 . 14 1 1 A 79 79 ALA CA C 78 54.100 55.331 -1.231 1
1 924 . 14 1 1 A 79 79 ALA CB C 78 18.400 17.964 0.436 1
1 925 . 14 1 1 A 79 79 ALA N N 78 121.400 121.193 0.207 1
1 926 . 14 1 1 A 80 80 ARG H H 79 8.120 7.891 0.229 1
1 927 . 14 1 1 A 80 80 ARG HA H 79 3.960 3.997 -0.037 1
1 934 . 14 1 1 A 80 80 ARG C C 79 177.900 178.554 -0.654 1
1 935 . 14 1 1 A 80 80 ARG CA C 79 58.800 58.445 0.355 1
1 936 . 14 1 1 A 80 80 ARG CB C 79 29.900 29.710 0.190 1
1 939 . 14 1 1 A 80 80 ARG N N 79 119.100 119.505 -0.405 1
1 940 . 14 1 1 A 81 81 TYR H H 80 7.800 7.523 0.277 1
1 941 . 14 1 1 A 81 81 TYR HA H 80 4.710 4.431 0.279 1
1 948 . 14 1 1 A 81 81 TYR C C 80 176.500 176.454 0.046 1
1 949 . 14 1 1 A 81 81 TYR CA C 80 57.500 59.220 -1.720 1
1 950 . 14 1 1 A 81 81 TYR CB C 80 38.100 38.691 -0.591 1
1 955 . 14 1 1 A 81 81 TYR N N 80 115.900 116.996 -1.096 1
1 956 . 14 1 1 A 82 82 GLY H H 81 7.850 7.815 0.035 1
1 957 . 14 1 1 A 82 82 GLY HA2 H 81 4.030 3.975 0.055 1
1 958 . 14 1 1 A 82 82 GLY HA3 H 81 4.030 3.989 0.041 1
1 959 . 14 1 1 A 82 82 GLY C C 81 174.900 175.248 -0.348 1
1 960 . 14 1 1 A 82 82 GLY CA C 81 46.300 46.255 0.045 1
1 961 . 14 1 1 A 82 82 GLY N N 81 108.500 108.409 0.091 1
1 962 . 14 1 1 A 83 83 GLN H H 82 8.200 7.766 0.434 1
1 963 . 14 1 1 A 83 83 GLN HA H 82 4.310 4.404 -0.094 1
1 968 . 14 1 1 A 83 83 GLN C C 82 175.500 175.305 0.195 1
1 969 . 14 1 1 A 83 83 GLN CA C 82 55.700 55.916 -0.216 1
1 970 . 14 1 1 A 83 83 GLN CB C 82 29.400 28.730 0.670 1
1 972 . 14 1 1 A 83 83 GLN N N 82 116.900 117.618 -0.718 1
1 973 . 14 1 1 A 84 84 LEU H H 83 7.990 7.636 0.354 1
1 974 . 14 1 1 A 84 84 LEU HA H 83 4.610 4.529 0.081 1
1 984 . 14 1 1 A 84 84 LEU C C 83 176.500 176.711 -0.211 1
1 985 . 14 1 1 A 84 84 LEU CA C 83 54.300 54.495 -0.195 1
1 986 . 14 1 1 A 84 84 LEU CB C 83 42.600 41.418 1.182 1
1 990 . 14 1 1 A 84 84 LEU N N 83 121.400 122.265 -0.865 1
1 991 . 14 1 1 A 85 85 SER H H 84 8.630 8.901 -0.271 1
1 992 . 14 1 1 A 85 85 SER HA H 84 4.410 4.643 -0.233 1
1 995 . 14 1 1 A 85 85 SER C C 84 173.700 174.115 -0.415 1
1 996 . 14 1 1 A 85 85 SER CA C 84 59.400 59.400 0.000 1
1 997 . 14 1 1 A 85 85 SER CB C 84 63.900 64.819 -0.919 1
1 998 . 14 1 1 A 85 85 SER N N 84 118.400 119.486 -1.086 1
1 999 . 14 1 1 A 86 86 GLU H H 85 7.690 7.660 0.030 1
1 1000 . 14 1 1 A 86 86 GLU HA H 85 4.530 4.805 -0.275 1
1 1005 . 14 1 1 A 86 86 GLU C C 85 175.400 175.378 0.022 1
1 1006 . 14 1 1 A 86 86 GLU CA C 85 54.900 54.719 0.181 1
1 1007 . 14 1 1 A 86 86 GLU CB C 85 31.200 33.754 -2.554 1
1 1009 . 14 1 1 A 86 86 GLU N N 85 119.400 118.532 0.868 1
1 1010 . 14 1 1 A 87 87 LYS H H 86 8.380 8.365 0.015 1
1 1011 . 14 1 1 A 87 87 LYS HA H 86 4.230 4.621 -0.391 1
1 1018 . 14 1 1 A 87 87 LYS C C 86 176.900 177.079 -0.179 1
1 1019 . 14 1 1 A 87 87 LYS CA C 86 57.000 56.459 0.541 1
1 1020 . 14 1 1 A 87 87 LYS CB C 86 33.300 32.864 0.436 1
1 1024 . 14 1 1 A 87 87 LYS N N 86 120.400 120.810 -0.410 1
1 1025 . 14 1 1 A 88 88 VAL H H 87 8.960 9.241 -0.281 1
1 1026 . 14 1 1 A 88 88 VAL HA H 87 3.970 4.189 -0.219 1
1 1034 . 14 1 1 A 88 88 VAL C C 87 174.700 176.219 -1.519 1
1 1035 . 14 1 1 A 88 88 VAL CA C 87 63.300 62.869 0.431 1
1 1036 . 14 1 1 A 88 88 VAL CB C 87 32.400 31.784 0.616 1
1 1038 . 14 1 1 A 88 88 VAL N N 87 125.200 122.701 2.499 1
1 1039 . 14 1 1 A 89 89 SER H H 88 8.190 8.776 -0.586 1
1 1040 . 14 1 1 A 89 89 SER HA H 88 4.990 4.812 0.178 1
1 1043 . 14 1 1 A 89 89 SER C C 88 175.700 175.571 0.129 1
1 1044 . 14 1 1 A 89 89 SER CA C 88 56.200 57.048 -0.848 1
1 1045 . 14 1 1 A 89 89 SER CB C 88 66.600 65.728 0.872 1
1 1046 . 14 1 1 A 89 89 SER N N 88 121.700 123.096 -1.396 1
1 1047 . 14 1 1 A 90 90 GLU H H 89 9.230 8.898 0.332 1
1 1048 . 14 1 1 A 90 90 GLU HA H 89 3.720 4.002 -0.282 1
1 1053 . 14 1 1 A 90 90 GLU C C 89 177.700 178.452 -0.752 1
1 1054 . 14 1 1 A 90 90 GLU CA C 89 61.200 59.761 1.439 1
1 1055 . 14 1 1 A 90 90 GLU CB C 89 29.100 29.606 -0.506 1
1 1057 . 14 1 1 A 90 90 GLU N N 89 121.600 120.345 1.255 1
1 1058 . 14 1 1 A 91 91 GLN H H 90 8.430 8.210 0.220 1
1 1059 . 14 1 1 A 91 91 GLN HA H 90 4.040 4.075 -0.035 1
1 1066 . 14 1 1 A 91 91 GLN C C 90 178.900 179.552 -0.652 1
1 1067 . 14 1 1 A 91 91 GLN CA C 90 59.100 58.797 0.303 1
1 1068 . 14 1 1 A 91 91 GLN CB C 90 27.800 28.531 -0.731 1
1 1070 . 14 1 1 A 91 91 GLN N N 90 117.100 118.575 -1.475 1
1 1072 . 14 1 1 A 92 92 GLY H H 91 8.080 7.805 0.275 1
1 1073 . 14 1 1 A 92 92 GLY HA2 H 91 3.890 3.590 0.300 1
1 1074 . 14 1 1 A 92 92 GLY HA3 H 91 3.890 3.596 0.294 1
1 1075 . 14 1 1 A 92 92 GLY C C 91 176.600 176.089 0.511 1
1 1076 . 14 1 1 A 92 92 GLY CA C 91 46.900 47.357 -0.457 1
1 1077 . 14 1 1 A 92 92 GLY N N 91 109.400 108.937 0.463 1
1 1078 . 14 1 1 A 93 93 LEU H H 92 8.610 8.412 0.198 1
1 1079 . 14 1 1 A 93 93 LEU HA H 92 4.000 4.163 -0.163 1
1 1089 . 14 1 1 A 93 93 LEU C C 92 178.000 178.376 -0.376 1
1 1090 . 14 1 1 A 93 93 LEU CA C 92 57.500 57.219 0.281 1
1 1091 . 14 1 1 A 93 93 LEU CB C 92 41.800 41.457 0.343 1
1 1095 . 14 1 1 A 93 93 LEU N N 92 123.700 122.387 1.313 1
1 1096 . 14 1 1 A 94 94 ILE H H 93 7.970 8.566 -0.596 1
1 1097 . 14 1 1 A 94 94 ILE HA H 93 3.640 3.540 0.100 1
1 1107 . 14 1 1 A 94 94 ILE C C 93 178.500 178.241 0.259 1
1 1108 . 14 1 1 A 94 94 ILE CA C 93 64.800 64.891 -0.091 1
1 1109 . 14 1 1 A 94 94 ILE CB C 93 37.100 37.434 -0.334 1
1 1113 . 14 1 1 A 94 94 ILE N N 93 119.900 119.845 0.055 1
1 1114 . 14 1 1 A 95 95 GLU H H 94 7.610 7.976 -0.366 1
1 1115 . 14 1 1 A 95 95 GLU HA H 94 4.090 3.980 0.110 1
1 1120 . 14 1 1 A 95 95 GLU C C 94 179.400 179.055 0.345 1
1 1121 . 14 1 1 A 95 95 GLU CA C 94 59.200 59.181 0.019 1
1 1122 . 14 1 1 A 95 95 GLU CB C 94 28.800 29.467 -0.667 1
1 1124 . 14 1 1 A 95 95 GLU N N 94 118.800 121.584 -2.784 1
1 1125 . 14 1 1 A 96 96 ILE H H 95 7.840 7.756 0.084 1
1 1126 . 14 1 1 A 96 96 ILE HA H 95 3.520 3.404 0.116 1
1 1136 . 14 1 1 A 96 96 ILE C C 95 177.500 178.002 -0.502 1
1 1137 . 14 1 1 A 96 96 ILE CA C 95 65.500 65.319 0.181 1
1 1138 . 14 1 1 A 96 96 ILE CB C 95 37.900 37.463 0.437 1
1 1142 . 14 1 1 A 96 96 ILE N N 95 121.600 119.966 1.634 1
1 1143 . 14 1 1 A 97 97 LEU H H 96 8.620 8.715 -0.095 1
1 1144 . 14 1 1 A 97 97 LEU HA H 96 3.800 3.975 -0.175 1
1 1151 . 14 1 1 A 97 97 LEU C C 96 179.400 178.641 0.759 1
1 1152 . 14 1 1 A 97 97 LEU CA C 96 58.600 58.489 0.111 1
1 1153 . 14 1 1 A 97 97 LEU CB C 96 41.500 41.799 -0.299 1
1 1156 . 14 1 1 A 97 97 LEU N N 96 120.400 120.735 -0.335 1
1 1157 . 14 1 1 A 98 98 LYS H H 97 7.750 8.251 -0.501 1
1 1158 . 14 1 1 A 98 98 LYS HA H 97 3.990 3.937 0.053 1
1 1167 . 14 1 1 A 98 98 LYS C C 97 178.600 179.165 -0.565 1
1 1168 . 14 1 1 A 98 98 LYS CA C 97 59.400 59.891 -0.491 1
1 1169 . 14 1 1 A 98 98 LYS CB C 97 32.300 31.929 0.371 1
1 1172 . 14 1 1 A 98 98 LYS N N 97 119.000 118.619 0.381 1
1 1173 . 14 1 1 A 99 99 LYS H H 98 7.710 7.441 0.269 1
1 1174 . 14 1 1 A 99 99 LYS HA H 98 4.110 3.990 0.120 1
1 1183 . 14 1 1 A 99 99 LYS C C 98 179.100 179.591 -0.491 1
1 1184 . 14 1 1 A 99 99 LYS CA C 98 59.100 59.306 -0.206 1
1 1185 . 14 1 1 A 99 99 LYS CB C 98 32.500 32.093 0.407 1
1 1189 . 14 1 1 A 99 99 LYS N N 98 119.500 120.077 -0.577 1
1 1190 . 14 1 1 A 100 100 VAL H H 99 8.210 7.602 0.608 1
1 1191 . 14 1 1 A 100 100 VAL HA H 99 3.920 3.922 -0.002 1
1 1196 . 14 1 1 A 100 100 VAL C C 99 177.600 177.752 -0.152 1
1 1197 . 14 1 1 A 100 100 VAL CA C 99 64.200 64.631 -0.431 1
1 1198 . 14 1 1 A 100 100 VAL CB C 99 31.500 31.265 0.235 1
1 1200 . 14 1 1 A 100 100 VAL N N 99 115.800 115.206 0.594 1
1 1201 . 14 1 1 A 101 101 SER H H 100 7.900 8.287 -0.387 1
1 1202 . 14 1 1 A 101 101 SER HA H 100 4.340 3.988 0.352 1
1 1205 . 14 1 1 A 101 101 SER C C 100 174.600 176.210 -1.610 1
1 1206 . 14 1 1 A 101 101 SER CA C 100 60.400 61.649 -1.249 1
1 1207 . 14 1 1 A 101 101 SER CB C 100 63.600 62.941 0.659 1
1 1208 . 14 1 1 A 101 101 SER N N 100 116.500 117.140 -0.640 1
1 1209 . 14 1 1 A 102 102 GLN H H 101 7.860 8.018 -0.158 1
1 1210 . 14 1 1 A 102 102 GLN HA H 101 4.280 4.127 0.153 1
1 1215 . 14 1 1 A 102 102 GLN C C 101 176.400 177.282 -0.882 1
1 1216 . 14 1 1 A 102 102 GLN CA C 101 56.800 58.571 -1.771 1
1 1217 . 14 1 1 A 102 102 GLN CB C 101 28.900 28.746 0.154 1
1 1219 . 14 1 1 A 102 102 GLN N N 101 120.100 118.928 1.172 1
1 1220 . 14 1 1 A 103 103 GLN H H 102 8.080 7.760 0.320 1
1 1221 . 14 1 1 A 103 103 GLN HA H 102 4.360 4.622 -0.262 1
1 1226 . 14 1 1 A 103 103 GLN C C 102 176.500 177.049 -0.549 1
1 1227 . 14 1 1 A 103 103 GLN CA C 102 56.700 56.769 -0.069 1
1 1228 . 14 1 1 A 103 103 GLN CB C 102 29.000 30.623 -1.623 1
1 1230 . 14 1 1 A 103 103 GLN N N 102 119.700 117.347 2.353 1
1 1231 . 14 1 1 A 104 104 THR H H 103 8.070 8.221 -0.151 1
1 1232 . 14 1 1 A 104 104 THR HA H 103 4.350 4.561 -0.211 1
1 1237 . 14 1 1 A 104 104 THR C C 103 174.700 174.365 0.335 1
1 1238 . 14 1 1 A 104 104 THR CA C 103 62.500 62.947 -0.447 1
1 1239 . 14 1 1 A 104 104 THR CB C 103 69.800 71.179 -1.379 1
1 1241 . 14 1 1 A 104 104 THR N N 103 113.900 108.443 5.457 1
1 1242 . 14 1 1 A 105 105 GLU H H 104 8.290 8.131 0.159 1
1 1243 . 14 1 1 A 105 105 GLU HA H 104 4.350 4.671 -0.321 1
1 1248 . 14 1 1 A 105 105 GLU C C 104 176.300 175.457 0.843 1
1 1249 . 14 1 1 A 105 105 GLU CA C 104 56.700 54.803 1.897 1
1 1250 . 14 1 1 A 105 105 GLU CB C 104 29.900 32.452 -2.552 1
1 1252 . 14 1 1 A 105 105 GLU N N 104 122.900 117.613 5.287 1
1 1253 . 14 1 1 A 106 106 LYS H H 105 8.320 8.869 -0.549 1
1 1254 . 14 1 1 A 106 106 LYS HA H 105 4.390 4.464 -0.074 1
1 1263 . 14 1 1 A 106 106 LYS C C 105 176.800 176.533 0.267 1
1 1264 . 14 1 1 A 106 106 LYS CA C 105 56.700 57.511 -0.811 1
1 1265 . 14 1 1 A 106 106 LYS CB C 105 32.800 33.509 -0.709 1
1 1269 . 14 1 1 A 106 106 LYS N N 105 121.900 119.507 2.393 1
1 1270 . 14 1 1 A 107 107 THR H H 106 8.150 7.383 0.767 1
1 1271 . 14 1 1 A 107 107 THR HA H 106 4.430 4.518 -0.088 1
1 1276 . 14 1 1 A 107 107 THR C C 106 174.600 171.892 2.708 1
1 1277 . 14 1 1 A 107 107 THR CA C 106 62.000 60.443 1.557 1
1 1278 . 14 1 1 A 107 107 THR CB C 106 70.000 69.368 0.632 1
1 1280 . 14 1 1 A 107 107 THR N N 106 115.000 108.525 6.475 1
1 1281 . 14 1 1 A 108 108 THR H H 107 8.190 8.607 -0.417 1
1 1282 . 14 1 1 A 108 108 THR HA H 107 4.440 4.954 -0.514 1
1 1287 . 14 1 1 A 108 108 THR C C 107 174.500 172.430 2.070 1
1 1288 . 14 1 1 A 108 108 THR CA C 107 62.000 60.478 1.522 1
1 1289 . 14 1 1 A 108 108 THR CB C 107 69.800 71.564 -1.764 1
1 1291 . 14 1 1 A 108 108 THR N N 107 116.500 117.040 -0.540 1
1 1292 . 14 1 1 A 109 109 THR H H 108 8.170 8.748 -0.578 1
1 1293 . 14 1 1 A 109 109 THR HA H 108 4.350 4.547 -0.197 1
1 1298 . 14 1 1 A 109 109 THR C C 108 174.200 173.793 0.407 1
1 1299 . 14 1 1 A 109 109 THR CA C 108 62.000 61.928 0.072 1
1 1300 . 14 1 1 A 109 109 THR CB C 108 69.800 69.521 0.279 1
1 1302 . 14 1 1 A 109 109 THR N N 108 117.200 119.780 -2.580 1
1 1303 . 14 1 1 A 110 110 VAL H H 109 8.100 8.509 -0.409 1
1 1304 . 14 1 1 A 110 110 VAL HA H 109 4.040 4.322 -0.282 1
1 1312 . 14 1 1 A 110 110 VAL C C 109 175.200 176.496 -1.296 1
1 1313 . 14 1 1 A 110 110 VAL CA C 109 62.300 61.026 1.274 1
1 1314 . 14 1 1 A 110 110 VAL CB C 109 32.600 32.823 -0.223 1
1 1316 . 14 1 1 A 110 110 VAL N N 109 123.100 128.818 -5.718 1
1 1317 . 14 1 1 A 111 111 LYS H H 110 8.200 7.385 0.815 1
1 1318 . 14 1 1 A 111 111 LYS HA H 110 4.310 4.031 0.279 1
1 1327 . 14 1 1 A 111 111 LYS C C 110 175.700 176.077 -0.377 1
1 1328 . 14 1 1 A 111 111 LYS CA C 110 55.700 58.739 -3.039 1
1 1329 . 14 1 1 A 111 111 LYS CB C 110 33.300 33.363 -0.063 1
1 1333 . 14 1 1 A 111 111 LYS N N 110 125.200 122.476 2.724 1
1 1334 . 14 1 1 A 112 112 PHE H H 111 8.310 7.459 0.851 1
1 1335 . 14 1 1 A 112 112 PHE HA H 111 4.650 5.122 -0.472 1
1 1338 . 14 1 1 A 112 112 PHE C C 111 174.500 173.357 1.143 1
1 1339 . 14 1 1 A 112 112 PHE CA C 111 57.500 56.406 1.094 1
1 1340 . 14 1 1 A 112 112 PHE CB C 111 39.700 42.150 -2.450 1
1 1341 . 14 1 1 A 112 112 PHE N N 111 122.100 112.562 9.538 1
1 1 . 15 1 1 A 2 2 SER H H 1 8.780 8.139 0.641 1
1 2 . 15 1 1 A 2 2 SER HA H 1 4.480 4.164 0.316 1
1 5 . 15 1 1 A 2 2 SER C C 1 175.000 176.280 -1.280 1
1 6 . 15 1 1 A 2 2 SER CA C 1 59.100 62.391 -3.291 1
1 7 . 15 1 1 A 2 2 SER CB C 1 63.900 62.863 1.037 1
1 8 . 15 1 1 A 2 2 SER N N 1 116.600 117.075 -0.475 1
1 9 . 15 1 1 A 3 3 ALA H H 2 8.710 8.333 0.377 1
1 10 . 15 1 1 A 3 3 ALA HA H 2 4.310 4.170 0.140 1
1 14 . 15 1 1 A 3 3 ALA C C 2 178.800 179.563 -0.763 1
1 15 . 15 1 1 A 3 3 ALA CA C 2 53.800 55.325 -1.525 1
1 16 . 15 1 1 A 3 3 ALA CB C 2 18.500 17.809 0.691 1
1 17 . 15 1 1 A 3 3 ALA N N 2 125.500 123.498 2.002 1
1 18 . 15 1 1 A 4 4 ASP H H 3 8.190 7.899 0.291 1
1 19 . 15 1 1 A 4 4 ASP HA H 3 4.500 4.322 0.178 1
1 22 . 15 1 1 A 4 4 ASP C C 3 177.700 178.365 -0.665 1
1 23 . 15 1 1 A 4 4 ASP CA C 3 55.900 57.099 -1.199 1
1 24 . 15 1 1 A 4 4 ASP CB C 3 40.500 40.947 -0.447 1
1 25 . 15 1 1 A 4 4 ASP N N 3 117.800 118.494 -0.694 1
1 26 . 15 1 1 A 5 5 GLU H H 4 8.150 8.229 -0.079 1
1 27 . 15 1 1 A 5 5 GLU HA H 4 4.140 4.049 0.091 1
1 32 . 15 1 1 A 5 5 GLU C C 4 178.600 178.962 -0.362 1
1 33 . 15 1 1 A 5 5 GLU CA C 4 58.600 59.702 -1.102 1
1 34 . 15 1 1 A 5 5 GLU CB C 4 29.100 29.064 0.036 1
1 36 . 15 1 1 A 5 5 GLU N N 4 120.800 119.402 1.398 1
1 37 . 15 1 1 A 6 6 GLU H H 5 8.250 8.419 -0.169 1
1 38 . 15 1 1 A 6 6 GLU HA H 5 4.200 3.998 0.202 1
1 43 . 15 1 1 A 6 6 GLU C C 5 178.300 179.142 -0.842 1
1 44 . 15 1 1 A 6 6 GLU CA C 5 58.600 59.050 -0.450 1
1 45 . 15 1 1 A 6 6 GLU CB C 5 28.800 29.244 -0.444 1
1 47 . 15 1 1 A 6 6 GLU N N 5 120.800 119.114 1.686 1
1 48 . 15 1 1 A 7 7 LEU H H 6 7.990 8.048 -0.058 1
1 49 . 15 1 1 A 7 7 LEU HA H 6 4.170 4.063 0.107 1
1 58 . 15 1 1 A 7 7 LEU C C 6 179.500 178.310 1.190 1
1 59 . 15 1 1 A 7 7 LEU CA C 6 57.500 57.881 -0.381 1
1 60 . 15 1 1 A 7 7 LEU CB C 6 41.600 41.684 -0.084 1
1 64 . 15 1 1 A 7 7 LEU N N 6 120.900 120.834 0.066 1
1 65 . 15 1 1 A 8 8 GLU H H 7 8.130 8.601 -0.471 1
1 66 . 15 1 1 A 8 8 GLU HA H 7 4.160 4.013 0.147 1
1 71 . 15 1 1 A 8 8 GLU C C 7 178.300 178.835 -0.535 1
1 72 . 15 1 1 A 8 8 GLU CA C 7 58.800 59.338 -0.538 1
1 73 . 15 1 1 A 8 8 GLU CB C 7 28.800 28.860 -0.060 1
1 75 . 15 1 1 A 8 8 GLU N N 7 120.100 117.424 2.676 1
1 76 . 15 1 1 A 9 9 ALA H H 8 8.030 8.173 -0.143 1
1 77 . 15 1 1 A 9 9 ALA HA H 8 4.090 4.133 -0.043 1
1 81 . 15 1 1 A 9 9 ALA C C 8 180.500 180.188 0.312 1
1 82 . 15 1 1 A 9 9 ALA CA C 8 55.100 55.142 -0.042 1
1 83 . 15 1 1 A 9 9 ALA CB C 8 17.900 17.925 -0.025 1
1 84 . 15 1 1 A 9 9 ALA N N 8 122.100 122.497 -0.397 1
1 85 . 15 1 1 A 10 10 LEU H H 9 7.890 8.403 -0.513 1
1 86 . 15 1 1 A 10 10 LEU HA H 9 4.160 3.898 0.262 1
1 95 . 15 1 1 A 10 10 LEU C C 9 179.200 178.779 0.421 1
1 96 . 15 1 1 A 10 10 LEU CA C 9 57.500 58.193 -0.693 1
1 97 . 15 1 1 A 10 10 LEU CB C 9 41.800 41.690 0.110 1
1 101 . 15 1 1 A 10 10 LEU N N 9 119.500 118.210 1.290 1
1 102 . 15 1 1 A 11 11 ARG H H 10 8.080 8.246 -0.166 1
1 103 . 15 1 1 A 11 11 ARG HA H 10 4.010 3.815 0.195 1
1 110 . 15 1 1 A 11 11 ARG C C 10 178.900 178.893 0.007 1
1 111 . 15 1 1 A 11 11 ARG CA C 10 59.400 59.862 -0.462 1
1 112 . 15 1 1 A 11 11 ARG CB C 10 30.100 30.002 0.098 1
1 115 . 15 1 1 A 11 11 ARG N N 10 120.400 119.272 1.128 1
1 116 . 15 1 1 A 12 12 ARG H H 11 8.170 8.660 -0.490 1
1 117 . 15 1 1 A 12 12 ARG HA H 11 4.040 4.101 -0.061 1
1 124 . 15 1 1 A 12 12 ARG C C 11 178.900 178.978 -0.078 1
1 125 . 15 1 1 A 12 12 ARG CA C 11 59.300 59.547 -0.247 1
1 126 . 15 1 1 A 12 12 ARG CB C 11 30.000 29.954 0.046 1
1 129 . 15 1 1 A 12 12 ARG N N 11 118.400 118.737 -0.337 1
1 130 . 15 1 1 A 13 13 GLN H H 12 8.060 8.173 -0.113 1
1 131 . 15 1 1 A 13 13 GLN HA H 12 4.150 4.018 0.132 1
1 136 . 15 1 1 A 13 13 GLN C C 12 177.900 178.518 -0.618 1
1 137 . 15 1 1 A 13 13 GLN CA C 12 58.600 59.125 -0.525 1
1 138 . 15 1 1 A 13 13 GLN CB C 12 28.500 28.410 0.090 1
1 140 . 15 1 1 A 13 13 GLN N N 12 120.400 119.328 1.072 1
1 141 . 15 1 1 A 14 14 ARG H H 13 8.180 7.965 0.215 1
1 142 . 15 1 1 A 14 14 ARG HA H 13 4.160 4.080 0.080 1
1 149 . 15 1 1 A 14 14 ARG C C 13 178.600 178.248 0.352 1
1 150 . 15 1 1 A 14 14 ARG CA C 13 58.600 58.785 -0.185 1
1 151 . 15 1 1 A 14 14 ARG CB C 13 29.900 30.183 -0.283 1
1 154 . 15 1 1 A 14 14 ARG N N 13 119.900 119.990 -0.090 1
1 155 . 15 1 1 A 15 15 LEU H H 14 7.980 8.175 -0.195 1
1 156 . 15 1 1 A 15 15 LEU HA H 14 4.180 4.033 0.147 1
1 165 . 15 1 1 A 15 15 LEU C C 14 178.800 178.319 0.481 1
1 166 . 15 1 1 A 15 15 LEU CA C 14 57.300 57.880 -0.580 1
1 167 . 15 1 1 A 15 15 LEU CB C 14 41.700 41.129 0.571 1
1 171 . 15 1 1 A 15 15 LEU N N 14 119.900 121.117 -1.217 1
1 172 . 15 1 1 A 16 16 ALA H H 15 7.930 7.771 0.159 1
1 173 . 15 1 1 A 16 16 ALA HA H 15 4.190 4.110 0.080 1
1 177 . 15 1 1 A 16 16 ALA C C 15 180.100 179.522 0.578 1
1 178 . 15 1 1 A 16 16 ALA CA C 15 54.500 55.176 -0.676 1
1 179 . 15 1 1 A 16 16 ALA CB C 15 18.000 17.982 0.018 1
1 180 . 15 1 1 A 16 16 ALA N N 15 122.000 120.891 1.109 1
1 181 . 15 1 1 A 17 17 GLU H H 16 8.010 8.302 -0.292 1
1 182 . 15 1 1 A 17 17 GLU HA H 16 4.160 3.992 0.168 1
1 187 . 15 1 1 A 17 17 GLU C C 16 178.100 179.583 -1.483 1
1 188 . 15 1 1 A 17 17 GLU CA C 16 58.100 59.514 -1.414 1
1 189 . 15 1 1 A 17 17 GLU CB C 16 28.900 29.882 -0.982 1
1 191 . 15 1 1 A 17 17 GLU N N 16 118.500 118.525 -0.025 1
1 192 . 15 1 1 A 18 18 LEU H H 17 7.890 8.156 -0.266 1
1 193 . 15 1 1 A 18 18 LEU HA H 17 4.200 4.196 0.004 1
1 203 . 15 1 1 A 18 18 LEU C C 17 178.700 176.536 2.164 1
1 204 . 15 1 1 A 18 18 LEU CA C 17 56.900 57.079 -0.179 1
1 205 . 15 1 1 A 18 18 LEU CB C 17 42.100 42.863 -0.763 1
1 209 . 15 1 1 A 18 18 LEU N N 17 120.400 120.609 -0.209 1
1 210 . 15 1 1 A 19 19 GLN H H 18 8.020 7.747 0.273 1
1 211 . 15 1 1 A 19 19 GLN HA H 18 4.200 3.989 0.211 1
1 216 . 15 1 1 A 19 19 GLN C C 18 176.700 174.633 2.067 1
1 217 . 15 1 1 A 19 19 GLN CA C 18 56.900 56.723 0.177 1
1 218 . 15 1 1 A 19 19 GLN CB C 18 28.800 27.172 1.628 1
1 220 . 15 1 1 A 19 19 GLN N N 18 118.500 118.888 -0.388 1
1 221 . 15 1 1 A 20 20 ALA H H 19 7.850 8.017 -0.167 1
1 222 . 15 1 1 A 20 20 ALA HA H 19 4.240 4.568 -0.328 1
1 226 . 15 1 1 A 20 20 ALA C C 19 178.000 177.511 0.489 1
1 227 . 15 1 1 A 20 20 ALA CA C 19 53.100 51.529 1.571 1
1 228 . 15 1 1 A 20 20 ALA CB C 19 18.700 20.225 -1.525 1
1 229 . 15 1 1 A 20 20 ALA N N 19 122.700 119.983 2.717 1
1 230 . 15 1 1 A 21 21 LYS H H 20 7.950 8.958 -1.008 1
1 231 . 15 1 1 A 21 21 LYS HA H 20 4.260 3.942 0.318 1
1 238 . 15 1 1 A 21 21 LYS C C 20 176.600 176.560 0.040 1
1 239 . 15 1 1 A 21 21 LYS CA C 20 56.500 59.796 -3.296 1
1 240 . 15 1 1 A 21 21 LYS CB C 20 32.600 32.083 0.517 1
1 244 . 15 1 1 A 21 21 LYS N N 20 118.800 124.399 -5.599 1
1 245 . 15 1 1 A 22 22 HIS H H 21 8.320 8.159 0.161 1
1 246 . 15 1 1 A 22 22 HIS HA H 21 4.730 4.191 0.539 1
1 249 . 15 1 1 A 22 22 HIS C C 21 174.800 174.944 -0.144 1
1 250 . 15 1 1 A 22 22 HIS CA C 21 55.400 56.747 -1.347 1
1 251 . 15 1 1 A 22 22 HIS CB C 21 28.800 28.281 0.519 1
1 252 . 15 1 1 A 22 22 HIS N N 21 118.600 117.764 0.836 1
1 253 . 15 1 1 A 23 23 GLY H H 22 8.360 8.131 0.229 1
1 254 . 15 1 1 A 23 23 GLY HA2 H 22 3.960 3.791 0.169 1
1 255 . 15 1 1 A 23 23 GLY HA3 H 22 3.960 3.827 0.133 1
1 256 . 15 1 1 A 23 23 GLY C C 22 173.200 173.671 -0.471 1
1 257 . 15 1 1 A 23 23 GLY CA C 22 45.000 46.902 -1.902 1
1 258 . 15 1 1 A 23 23 GLY N N 22 109.600 107.508 2.092 1
1 259 . 15 1 1 A 24 24 ASP H H 23 8.320 7.345 0.975 1
1 260 . 15 1 1 A 24 24 ASP HA H 23 4.940 5.008 -0.068 1
1 263 . 15 1 1 A 24 24 ASP C C 23 174.900 175.033 -0.133 1
1 264 . 15 1 1 A 24 24 ASP CA C 23 52.200 51.805 0.395 1
1 265 . 15 1 1 A 24 24 ASP CB C 23 41.300 41.320 -0.020 1
1 266 . 15 1 1 A 24 24 ASP N N 23 121.600 119.118 2.482 1
1 267 . 15 1 1 A 25 25 PRO HA H 24 4.430 4.353 0.077 1
1 274 . 15 1 1 A 25 25 PRO C C 24 177.800 177.360 0.440 1
1 275 . 15 1 1 A 25 25 PRO CA C 24 64.100 63.747 0.353 1
1 276 . 15 1 1 A 25 25 PRO CB C 24 31.900 32.079 -0.179 1
1 279 . 15 1 1 A 26 26 GLY H H 25 8.520 7.948 0.572 1
1 280 . 15 1 1 A 26 26 GLY HA2 H 25 3.940 3.901 0.039 1
1 281 . 15 1 1 A 26 26 GLY HA3 H 25 3.940 3.902 0.038 1
1 282 . 15 1 1 A 26 26 GLY C C 25 174.400 174.567 -0.167 1
1 283 . 15 1 1 A 26 26 GLY CA C 25 45.500 46.148 -0.648 1
1 284 . 15 1 1 A 26 26 GLY N N 25 108.300 107.527 0.773 1
1 285 . 15 1 1 A 27 27 ASP H H 26 8.100 8.594 -0.494 1
1 286 . 15 1 1 A 27 27 ASP HA H 26 4.610 4.493 0.117 1
1 289 . 15 1 1 A 27 27 ASP C C 26 176.900 177.128 -0.228 1
1 290 . 15 1 1 A 27 27 ASP CA C 26 54.800 56.361 -1.561 1
1 291 . 15 1 1 A 27 27 ASP CB C 26 40.800 40.461 0.339 1
1 292 . 15 1 1 A 27 27 ASP N N 26 120.700 118.369 2.331 1
1 293 . 15 1 1 A 28 28 ALA H H 27 8.320 8.448 -0.128 1
1 294 . 15 1 1 A 28 28 ALA HA H 27 4.180 4.052 0.128 1
1 298 . 15 1 1 A 28 28 ALA C C 27 179.300 179.585 -0.285 1
1 299 . 15 1 1 A 28 28 ALA CA C 27 54.600 54.986 -0.386 1
1 300 . 15 1 1 A 28 28 ALA CB C 27 18.400 18.126 0.274 1
1 301 . 15 1 1 A 28 28 ALA N N 27 124.100 121.487 2.613 1
1 302 . 15 1 1 A 29 29 ALA H H 28 8.250 7.931 0.319 1
1 303 . 15 1 1 A 29 29 ALA HA H 28 4.230 4.062 0.168 1
1 307 . 15 1 1 A 29 29 ALA C C 28 180.000 179.584 0.416 1
1 308 . 15 1 1 A 29 29 ALA CA C 28 54.300 54.498 -0.198 1
1 309 . 15 1 1 A 29 29 ALA CB C 28 18.200 18.396 -0.196 1
1 310 . 15 1 1 A 29 29 ALA N N 28 121.200 120.148 1.052 1
1 311 . 15 1 1 A 30 30 GLN H H 29 8.120 7.911 0.209 1
1 312 . 15 1 1 A 30 30 GLN HA H 29 4.230 4.081 0.149 1
1 317 . 15 1 1 A 30 30 GLN C C 29 177.900 178.492 -0.592 1
1 318 . 15 1 1 A 30 30 GLN CA C 29 57.800 58.343 -0.543 1
1 319 . 15 1 1 A 30 30 GLN CB C 29 28.600 28.204 0.396 1
1 321 . 15 1 1 A 30 30 GLN N N 29 118.800 115.940 2.860 1
1 322 . 15 1 1 A 31 31 GLN H H 30 8.240 7.927 0.313 1
1 323 . 15 1 1 A 31 31 GLN HA H 30 4.120 4.030 0.090 1
1 328 . 15 1 1 A 31 31 GLN C C 30 178.100 178.137 -0.037 1
1 329 . 15 1 1 A 31 31 GLN CA C 30 58.000 58.916 -0.916 1
1 330 . 15 1 1 A 31 31 GLN CB C 30 28.500 28.642 -0.142 1
1 332 . 15 1 1 A 31 31 GLN N N 30 119.600 120.191 -0.591 1
1 333 . 15 1 1 A 32 32 GLU H H 31 8.300 8.046 0.254 1
1 334 . 15 1 1 A 32 32 GLU HA H 31 4.190 4.119 0.071 1
1 339 . 15 1 1 A 32 32 GLU C C 31 178.100 179.022 -0.922 1
1 340 . 15 1 1 A 32 32 GLU CA C 31 58.600 59.287 -0.687 1
1 341 . 15 1 1 A 32 32 GLU CB C 31 28.800 28.850 -0.050 1
1 343 . 15 1 1 A 32 32 GLU N N 31 120.800 117.858 2.942 1
1 344 . 15 1 1 A 33 33 ALA H H 32 8.070 8.123 -0.053 1
1 345 . 15 1 1 A 33 33 ALA HA H 32 4.160 3.997 0.163 1
1 349 . 15 1 1 A 33 33 ALA C C 32 179.900 179.925 -0.025 1
1 350 . 15 1 1 A 33 33 ALA CA C 32 54.900 55.000 -0.100 1
1 351 . 15 1 1 A 33 33 ALA CB C 32 18.200 18.225 -0.025 1
1 352 . 15 1 1 A 33 33 ALA N N 32 123.000 123.292 -0.292 1
1 353 . 15 1 1 A 34 34 LYS H H 33 8.050 7.395 0.655 1
1 354 . 15 1 1 A 34 34 LYS HA H 33 4.150 4.016 0.134 1
1 363 . 15 1 1 A 34 34 LYS C C 33 178.900 178.893 0.007 1
1 364 . 15 1 1 A 34 34 LYS CA C 33 58.600 58.828 -0.228 1
1 365 . 15 1 1 A 34 34 LYS CB C 33 32.300 31.948 0.352 1
1 369 . 15 1 1 A 34 34 LYS N N 33 118.600 118.406 0.194 1
1 370 . 15 1 1 A 35 35 HIS H H 34 8.240 7.810 0.430 1
1 371 . 15 1 1 A 35 35 HIS HA H 34 4.580 4.238 0.342 1
1 374 . 15 1 1 A 35 35 HIS C C 34 176.300 177.432 -1.132 1
1 375 . 15 1 1 A 35 35 HIS CA C 34 57.800 59.236 -1.436 1
1 376 . 15 1 1 A 35 35 HIS CB C 34 28.300 29.881 -1.581 1
1 377 . 15 1 1 A 35 35 HIS N N 34 119.100 119.641 -0.541 1
1 378 . 15 1 1 A 36 36 ARG H H 35 8.390 8.627 -0.237 1
1 379 . 15 1 1 A 36 36 ARG HA H 35 4.160 3.880 0.280 1
1 386 . 15 1 1 A 36 36 ARG C C 35 178.500 178.390 0.110 1
1 387 . 15 1 1 A 36 36 ARG CA C 35 58.800 58.986 -0.186 1
1 388 . 15 1 1 A 36 36 ARG CB C 35 29.200 29.784 -0.584 1
1 391 . 15 1 1 A 36 36 ARG N N 35 120.600 119.125 1.475 1
1 392 . 15 1 1 A 37 37 GLU H H 36 8.240 8.280 -0.040 1
1 393 . 15 1 1 A 37 37 GLU HA H 36 4.080 3.939 0.141 1
1 398 . 15 1 1 A 37 37 GLU C C 36 178.200 178.936 -0.736 1
1 399 . 15 1 1 A 37 37 GLU CA C 36 59.100 59.593 -0.493 1
1 400 . 15 1 1 A 37 37 GLU CB C 36 29.100 29.364 -0.264 1
1 402 . 15 1 1 A 37 37 GLU N N 36 120.400 119.074 1.326 1
1 403 . 15 1 1 A 38 38 ALA H H 37 7.980 7.881 0.099 1
1 404 . 15 1 1 A 38 38 ALA HA H 37 4.100 4.056 0.044 1
1 408 . 15 1 1 A 38 38 ALA C C 37 179.800 179.130 0.670 1
1 409 . 15 1 1 A 38 38 ALA CA C 37 55.100 55.135 -0.035 1
1 410 . 15 1 1 A 38 38 ALA CB C 37 18.000 18.960 -0.960 1
1 411 . 15 1 1 A 38 38 ALA N N 37 122.000 120.701 1.299 1
1 412 . 15 1 1 A 39 39 GLU H H 38 8.050 8.150 -0.100 1
1 413 . 15 1 1 A 39 39 GLU HA H 38 4.120 4.003 0.117 1
1 418 . 15 1 1 A 39 39 GLU C C 38 179.000 178.969 0.031 1
1 419 . 15 1 1 A 39 39 GLU CA C 38 58.800 59.052 -0.252 1
1 420 . 15 1 1 A 39 39 GLU CB C 38 29.100 29.037 0.063 1
1 422 . 15 1 1 A 39 39 GLU N N 38 118.200 118.383 -0.183 1
1 423 . 15 1 1 A 40 40 MET H H 39 8.130 8.398 -0.268 1
1 424 . 15 1 1 A 40 40 MET HA H 39 4.200 4.123 0.077 1
1 429 . 15 1 1 A 40 40 MET C C 39 178.200 178.874 -0.674 1
1 430 . 15 1 1 A 40 40 MET CA C 39 58.100 58.992 -0.892 1
1 431 . 15 1 1 A 40 40 MET CB C 39 32.300 33.233 -0.933 1
1 433 . 15 1 1 A 40 40 MET N N 39 120.300 118.749 1.551 1
1 434 . 15 1 1 A 41 41 ARG HA H 40 3.890 4.058 -0.168 1
1 441 . 15 1 1 A 41 41 ARG C C 40 177.700 179.006 -1.306 1
1 442 . 15 1 1 A 41 41 ARG CA C 40 59.500 59.546 -0.046 1
1 443 . 15 1 1 A 41 41 ARG CB C 40 30.300 30.210 0.090 1
1 444 . 15 1 1 A 42 42 ASN H H 41 8.190 8.315 -0.125 1
1 445 . 15 1 1 A 42 42 ASN HA H 41 4.440 4.450 -0.010 1
1 450 . 15 1 1 A 42 42 ASN C C 41 177.700 177.711 -0.011 1
1 451 . 15 1 1 A 42 42 ASN CA C 41 55.900 56.804 -0.904 1
1 452 . 15 1 1 A 42 42 ASN CB C 41 38.100 39.464 -1.364 1
1 453 . 15 1 1 A 42 42 ASN N N 41 116.300 118.626 -2.326 1
1 455 . 15 1 1 A 43 43 SER H H 42 8.130 7.777 0.353 1
1 456 . 15 1 1 A 43 43 SER HA H 42 4.300 4.165 0.135 1
1 459 . 15 1 1 A 43 43 SER C C 42 176.600 176.768 -0.168 1
1 460 . 15 1 1 A 43 43 SER CA C 42 61.200 62.371 -1.171 1
1 461 . 15 1 1 A 43 43 SER CB C 42 63.100 63.080 0.020 1
1 462 . 15 1 1 A 43 43 SER N N 42 116.300 116.413 -0.113 1
1 463 . 15 1 1 A 44 44 ILE H H 43 7.940 8.261 -0.321 1
1 464 . 15 1 1 A 44 44 ILE HA H 43 3.860 3.831 0.029 1
1 474 . 15 1 1 A 44 44 ILE C C 43 178.400 178.280 0.120 1
1 475 . 15 1 1 A 44 44 ILE CA C 43 64.500 64.494 0.006 1
1 476 . 15 1 1 A 44 44 ILE CB C 43 37.900 37.532 0.368 1
1 480 . 15 1 1 A 44 44 ILE N N 43 122.500 118.768 3.732 1
1 481 . 15 1 1 A 45 45 LEU H H 44 8.070 8.341 -0.271 1
1 482 . 15 1 1 A 45 45 LEU HA H 44 3.940 4.061 -0.121 1
1 492 . 15 1 1 A 45 45 LEU C C 44 178.200 179.393 -1.193 1
1 493 . 15 1 1 A 45 45 LEU CA C 44 58.100 57.883 0.217 1
1 494 . 15 1 1 A 45 45 LEU CB C 44 41.100 40.900 0.200 1
1 498 . 15 1 1 A 45 45 LEU N N 44 119.100 121.916 -2.816 1
1 499 . 15 1 1 A 46 46 ALA H H 45 7.760 7.847 -0.087 1
1 500 . 15 1 1 A 46 46 ALA HA H 45 4.100 4.111 -0.011 1
1 504 . 15 1 1 A 46 46 ALA C C 45 178.700 178.903 -0.203 1
1 505 . 15 1 1 A 46 46 ALA CA C 45 54.100 54.472 -0.372 1
1 506 . 15 1 1 A 46 46 ALA CB C 45 18.100 18.166 -0.066 1
1 507 . 15 1 1 A 46 46 ALA N N 45 117.600 121.356 -3.756 1
1 508 . 15 1 1 A 47 47 GLN H H 46 7.570 7.332 0.238 1
1 509 . 15 1 1 A 47 47 GLN HA H 46 4.270 4.307 -0.037 1
1 514 . 15 1 1 A 47 47 GLN C C 46 177.800 178.280 -0.480 1
1 515 . 15 1 1 A 47 47 GLN CA C 46 57.300 57.549 -0.249 1
1 516 . 15 1 1 A 47 47 GLN CB C 46 29.500 29.666 -0.166 1
1 518 . 15 1 1 A 47 47 GLN N N 46 114.300 116.249 -1.949 1
1 519 . 15 1 1 A 48 48 VAL H H 47 7.690 8.031 -0.341 1
1 520 . 15 1 1 A 48 48 VAL HA H 47 4.380 3.919 0.461 1
1 528 . 15 1 1 A 48 48 VAL C C 47 174.400 176.229 -1.829 1
1 529 . 15 1 1 A 48 48 VAL CA C 47 62.600 65.274 -2.674 1
1 530 . 15 1 1 A 48 48 VAL CB C 47 32.800 32.478 0.322 1
1 533 . 15 1 1 A 48 48 VAL N N 47 111.900 117.418 -5.518 1
1 534 . 15 1 1 A 49 49 LEU H H 48 7.480 7.724 -0.244 1
1 535 . 15 1 1 A 49 49 LEU HA H 48 4.910 4.423 0.487 1
1 545 . 15 1 1 A 49 49 LEU C C 48 177.000 175.938 1.062 1
1 546 . 15 1 1 A 49 49 LEU CA C 48 53.700 53.814 -0.114 1
1 547 . 15 1 1 A 49 49 LEU CB C 48 44.500 42.960 1.540 1
1 551 . 15 1 1 A 49 49 LEU N N 48 119.600 118.893 0.707 1
1 552 . 15 1 1 A 50 50 ASP H H 49 8.430 8.843 -0.413 1
1 553 . 15 1 1 A 50 50 ASP HA H 49 4.630 4.497 0.133 1
1 556 . 15 1 1 A 50 50 ASP C C 49 176.000 177.461 -1.461 1
1 557 . 15 1 1 A 50 50 ASP CA C 49 53.000 54.720 -1.720 1
1 558 . 15 1 1 A 50 50 ASP CB C 49 40.200 42.872 -2.672 1
1 559 . 15 1 1 A 50 50 ASP N N 49 121.200 125.757 -4.557 1
1 560 . 15 1 1 A 51 51 GLN H H 50 8.580 8.956 -0.376 1
1 561 . 15 1 1 A 51 51 GLN HA H 50 3.950 3.994 -0.044 1
1 566 . 15 1 1 A 51 51 GLN C C 50 178.800 177.639 1.161 1
1 567 . 15 1 1 A 51 51 GLN CA C 50 60.200 58.692 1.508 1
1 568 . 15 1 1 A 51 51 GLN CB C 50 28.300 28.080 0.220 1
1 570 . 15 1 1 A 51 51 GLN N N 50 118.200 126.067 -7.867 1
1 571 . 15 1 1 A 52 52 SER H H 51 8.430 8.290 0.140 1
1 572 . 15 1 1 A 52 52 SER HA H 51 4.320 4.184 0.136 1
1 575 . 15 1 1 A 52 52 SER C C 51 177.200 176.342 0.858 1
1 576 . 15 1 1 A 52 52 SER CA C 51 61.500 61.746 -0.246 1
1 577 . 15 1 1 A 52 52 SER CB C 51 62.400 63.247 -0.847 1
1 578 . 15 1 1 A 52 52 SER N N 51 117.000 117.040 -0.040 1
1 579 . 15 1 1 A 53 53 ALA H H 52 8.760 7.943 0.817 1
1 580 . 15 1 1 A 53 53 ALA HA H 52 3.960 4.022 -0.062 1
1 584 . 15 1 1 A 53 53 ALA C C 52 178.900 179.141 -0.241 1
1 585 . 15 1 1 A 53 53 ALA CA C 52 55.400 55.039 0.361 1
1 586 . 15 1 1 A 53 53 ALA CB C 52 19.200 18.143 1.057 1
1 587 . 15 1 1 A 53 53 ALA N N 52 127.400 123.528 3.872 1
1 588 . 15 1 1 A 54 54 ARG H H 53 8.640 8.095 0.545 1
1 589 . 15 1 1 A 54 54 ARG HA H 53 3.880 3.978 -0.098 1
1 596 . 15 1 1 A 54 54 ARG C C 53 179.000 178.671 0.329 1
1 597 . 15 1 1 A 54 54 ARG CA C 53 59.700 59.542 0.158 1
1 598 . 15 1 1 A 54 54 ARG CB C 53 29.900 30.036 -0.136 1
1 601 . 15 1 1 A 54 54 ARG N N 53 118.200 117.780 0.420 1
1 602 . 15 1 1 A 55 55 ALA H H 54 7.960 8.217 -0.257 1
1 603 . 15 1 1 A 55 55 ALA HA H 54 4.190 3.998 0.192 1
1 607 . 15 1 1 A 55 55 ALA C C 54 180.100 179.303 0.797 1
1 608 . 15 1 1 A 55 55 ALA CA C 54 55.100 55.325 -0.225 1
1 609 . 15 1 1 A 55 55 ALA CB C 54 17.700 18.108 -0.408 1
1 610 . 15 1 1 A 55 55 ALA N N 54 122.200 121.738 0.462 1
1 611 . 15 1 1 A 56 56 ARG H H 55 7.800 8.077 -0.277 1
1 612 . 15 1 1 A 56 56 ARG HA H 55 4.160 4.114 0.046 1
1 619 . 15 1 1 A 56 56 ARG C C 55 178.900 178.306 0.594 1
1 620 . 15 1 1 A 56 56 ARG CA C 55 58.300 58.937 -0.637 1
1 621 . 15 1 1 A 56 56 ARG CB C 55 29.100 29.953 -0.853 1
1 624 . 15 1 1 A 56 56 ARG N N 55 119.100 118.802 0.298 1
1 625 . 15 1 1 A 57 57 LEU H H 56 8.390 8.148 0.242 1
1 626 . 15 1 1 A 57 57 LEU HA H 56 4.060 4.118 -0.058 1
1 635 . 15 1 1 A 57 57 LEU C C 56 178.100 178.667 -0.567 1
1 636 . 15 1 1 A 57 57 LEU CA C 56 57.800 57.470 0.330 1
1 637 . 15 1 1 A 57 57 LEU CB C 56 41.600 41.028 0.572 1
1 641 . 15 1 1 A 57 57 LEU N N 56 120.600 121.285 -0.685 1
1 642 . 15 1 1 A 58 58 SER H H 57 8.150 8.074 0.076 1
1 643 . 15 1 1 A 58 58 SER HA H 57 4.210 4.191 0.019 1
1 646 . 15 1 1 A 58 58 SER C C 57 176.500 176.824 -0.324 1
1 647 . 15 1 1 A 58 58 SER CA C 57 61.800 61.139 0.661 1
1 648 . 15 1 1 A 58 58 SER CB C 57 62.600 63.238 -0.638 1
1 649 . 15 1 1 A 58 58 SER N N 57 114.100 114.911 -0.811 1
1 650 . 15 1 1 A 59 59 ASN H H 58 7.700 7.828 -0.128 1
1 651 . 15 1 1 A 59 59 ASN HA H 58 4.580 4.479 0.101 1
1 656 . 15 1 1 A 59 59 ASN C C 58 178.000 177.773 0.227 1
1 657 . 15 1 1 A 59 59 ASN CA C 58 56.200 56.383 -0.183 1
1 658 . 15 1 1 A 59 59 ASN CB C 58 38.700 38.751 -0.051 1
1 659 . 15 1 1 A 59 59 ASN N N 58 119.500 119.290 0.210 1
1 661 . 15 1 1 A 60 60 LEU H H 59 8.250 7.870 0.380 1
1 662 . 15 1 1 A 60 60 LEU HA H 59 4.070 4.064 0.006 1
1 671 . 15 1 1 A 60 60 LEU C C 59 178.400 179.529 -1.129 1
1 672 . 15 1 1 A 60 60 LEU CA C 59 57.500 57.803 -0.303 1
1 673 . 15 1 1 A 60 60 LEU CB C 59 42.100 40.977 1.123 1
1 677 . 15 1 1 A 60 60 LEU N N 59 123.000 119.466 3.534 1
1 678 . 15 1 1 A 61 61 ALA H H 60 8.070 7.896 0.174 1
1 679 . 15 1 1 A 61 61 ALA HA H 60 3.910 4.269 -0.359 1
1 683 . 15 1 1 A 61 61 ALA C C 60 178.400 179.374 -0.974 1
1 684 . 15 1 1 A 61 61 ALA CA C 60 54.600 54.354 0.246 1
1 685 . 15 1 1 A 61 61 ALA CB C 60 18.200 18.367 -0.167 1
1 686 . 15 1 1 A 61 61 ALA N N 60 120.700 122.143 -1.443 1
1 687 . 15 1 1 A 62 62 LEU H H 61 7.170 7.825 -0.655 1
1 688 . 15 1 1 A 62 62 LEU HA H 61 4.200 4.179 0.021 1
1 695 . 15 1 1 A 62 62 LEU C C 61 178.300 178.859 -0.559 1
1 696 . 15 1 1 A 62 62 LEU CA C 61 56.500 57.114 -0.614 1
1 697 . 15 1 1 A 62 62 LEU CB C 61 42.100 41.850 0.250 1
1 701 . 15 1 1 A 62 62 LEU N N 61 113.700 118.366 -4.666 1
1 702 . 15 1 1 A 63 63 VAL H H 62 7.330 7.125 0.205 1
1 703 . 15 1 1 A 63 63 VAL HA H 62 4.380 4.092 0.288 1
1 711 . 15 1 1 A 63 63 VAL C C 62 176.200 176.212 -0.012 1
1 712 . 15 1 1 A 63 63 VAL CA C 62 62.800 64.445 -1.645 1
1 713 . 15 1 1 A 63 63 VAL CB C 62 33.900 32.190 1.710 1
1 716 . 15 1 1 A 63 63 VAL N N 62 112.500 114.157 -1.657 1
1 717 . 15 1 1 A 64 64 LYS H H 63 8.710 8.264 0.446 1
1 718 . 15 1 1 A 64 64 LYS HA H 63 5.000 4.770 0.230 1
1 727 . 15 1 1 A 64 64 LYS C C 63 174.200 175.182 -0.982 1
1 728 . 15 1 1 A 64 64 LYS CA C 63 53.600 53.768 -0.168 1
1 729 . 15 1 1 A 64 64 LYS CB C 63 33.400 33.054 0.346 1
1 733 . 15 1 1 A 64 64 LYS N N 63 120.400 120.673 -0.273 1
1 734 . 15 1 1 A 65 65 PRO HA H 64 4.360 4.702 -0.342 1
1 741 . 15 1 1 A 65 65 PRO C C 64 179.400 178.562 0.838 1
1 742 . 15 1 1 A 65 65 PRO CA C 64 66.000 64.609 1.391 1
1 743 . 15 1 1 A 65 65 PRO CB C 64 31.400 32.216 -0.816 1
1 746 . 15 1 1 A 66 66 GLU H H 65 8.920 8.433 0.487 1
1 747 . 15 1 1 A 66 66 GLU HA H 65 4.200 4.070 0.130 1
1 752 . 15 1 1 A 66 66 GLU C C 65 179.600 179.523 0.077 1
1 753 . 15 1 1 A 66 66 GLU CA C 65 59.400 59.879 -0.479 1
1 754 . 15 1 1 A 66 66 GLU CB C 65 28.300 29.057 -0.757 1
1 756 . 15 1 1 A 66 66 GLU N N 65 118.700 118.191 0.509 1
1 757 . 15 1 1 A 67 67 LYS H H 66 8.000 7.870 0.130 1
1 758 . 15 1 1 A 67 67 LYS HA H 66 4.160 4.177 -0.017 1
1 767 . 15 1 1 A 67 67 LYS C C 66 178.400 179.057 -0.657 1
1 768 . 15 1 1 A 67 67 LYS CA C 66 58.500 58.864 -0.364 1
1 769 . 15 1 1 A 67 67 LYS CB C 66 32.300 32.077 0.223 1
1 773 . 15 1 1 A 67 67 LYS N N 66 121.300 118.994 2.306 1
1 774 . 15 1 1 A 68 68 THR H H 67 7.960 7.682 0.278 1
1 775 . 15 1 1 A 68 68 THR HA H 67 4.130 3.822 0.308 1
1 780 . 15 1 1 A 68 68 THR C C 67 176.200 176.254 -0.054 1
1 781 . 15 1 1 A 68 68 THR CA C 67 67.800 67.279 0.521 1
1 782 . 15 1 1 A 68 68 THR CB C 67 67.800 68.525 -0.725 1
1 784 . 15 1 1 A 68 68 THR N N 67 114.200 117.136 -2.936 1
1 785 . 15 1 1 A 69 69 LYS H H 68 7.770 8.429 -0.659 1
1 786 . 15 1 1 A 69 69 LYS HA H 68 3.990 4.020 -0.030 1
1 795 . 15 1 1 A 69 69 LYS C C 68 178.100 178.985 -0.885 1
1 796 . 15 1 1 A 69 69 LYS CA C 68 59.400 59.836 -0.436 1
1 797 . 15 1 1 A 69 69 LYS CB C 68 31.700 32.414 -0.714 1
1 801 . 15 1 1 A 69 69 LYS N N 68 122.000 119.787 2.213 1
1 802 . 15 1 1 A 70 70 ALA H H 69 7.480 7.487 -0.007 1
1 803 . 15 1 1 A 70 70 ALA HA H 69 4.240 4.117 0.123 1
1 807 . 15 1 1 A 70 70 ALA C C 69 181.200 179.889 1.311 1
1 808 . 15 1 1 A 70 70 ALA CA C 69 55.200 55.114 0.086 1
1 809 . 15 1 1 A 70 70 ALA CB C 69 17.900 18.502 -0.602 1
1 810 . 15 1 1 A 70 70 ALA N N 69 120.300 122.026 -1.726 1
1 811 . 15 1 1 A 71 71 VAL H H 70 8.160 8.108 0.052 1
1 812 . 15 1 1 A 71 71 VAL HA H 70 3.620 3.830 -0.210 1
1 820 . 15 1 1 A 71 71 VAL C C 70 177.400 178.083 -0.683 1
1 821 . 15 1 1 A 71 71 VAL CA C 70 66.600 65.190 1.410 1
1 822 . 15 1 1 A 71 71 VAL CB C 70 31.500 31.605 -0.105 1
1 825 . 15 1 1 A 71 71 VAL N N 70 120.300 117.193 3.107 1
1 826 . 15 1 1 A 72 72 GLU H H 71 8.690 8.499 0.191 1
1 827 . 15 1 1 A 72 72 GLU HA H 71 3.800 3.979 -0.179 1
1 832 . 15 1 1 A 72 72 GLU C C 71 178.000 179.202 -1.202 1
1 833 . 15 1 1 A 72 72 GLU CA C 71 60.400 59.939 0.461 1
1 834 . 15 1 1 A 72 72 GLU CB C 71 29.200 29.319 -0.119 1
1 836 . 15 1 1 A 72 72 GLU N N 71 119.300 122.022 -2.722 1
1 837 . 15 1 1 A 73 73 ASN H H 72 8.460 8.388 0.072 1
1 838 . 15 1 1 A 73 73 ASN HA H 72 4.440 4.439 0.001 1
1 843 . 15 1 1 A 73 73 ASN C C 72 177.600 177.168 0.432 1
1 844 . 15 1 1 A 73 73 ASN CA C 72 56.200 56.267 -0.067 1
1 845 . 15 1 1 A 73 73 ASN CB C 72 37.600 39.253 -1.653 1
1 846 . 15 1 1 A 73 73 ASN N N 72 115.900 118.253 -2.353 1
1 848 . 15 1 1 A 74 74 TYR H H 73 7.940 8.162 -0.222 1
1 849 . 15 1 1 A 74 74 TYR HA H 73 4.200 4.258 -0.058 1
1 856 . 15 1 1 A 74 74 TYR C C 73 177.600 176.939 0.661 1
1 857 . 15 1 1 A 74 74 TYR CA C 73 61.500 61.596 -0.096 1
1 858 . 15 1 1 A 74 74 TYR CB C 73 38.400 38.895 -0.495 1
1 863 . 15 1 1 A 74 74 TYR N N 73 122.400 120.446 1.954 1
1 864 . 15 1 1 A 75 75 LEU H H 74 8.410 8.573 -0.163 1
1 865 . 15 1 1 A 75 75 LEU HA H 74 3.930 3.860 0.070 1
1 875 . 15 1 1 A 75 75 LEU C C 74 178.500 179.150 -0.650 1
1 876 . 15 1 1 A 75 75 LEU CA C 74 58.100 57.864 0.236 1
1 877 . 15 1 1 A 75 75 LEU CB C 74 42.600 41.424 1.176 1
1 881 . 15 1 1 A 75 75 LEU N N 74 119.500 120.244 -0.744 1
1 882 . 15 1 1 A 76 76 ILE H H 75 8.400 8.240 0.160 1
1 883 . 15 1 1 A 76 76 ILE HA H 75 3.570 3.456 0.114 1
1 890 . 15 1 1 A 76 76 ILE C C 75 178.100 178.256 -0.156 1
1 891 . 15 1 1 A 76 76 ILE CA C 75 65.200 65.421 -0.221 1
1 892 . 15 1 1 A 76 76 ILE CB C 75 37.800 37.798 0.002 1
1 896 . 15 1 1 A 76 76 ILE N N 75 118.600 120.150 -1.550 1
1 897 . 15 1 1 A 77 77 GLN H H 76 7.830 7.490 0.340 1
1 898 . 15 1 1 A 77 77 GLN HA H 76 3.920 3.911 0.009 1
1 903 . 15 1 1 A 77 77 GLN C C 76 178.100 178.850 -0.750 1
1 904 . 15 1 1 A 77 77 GLN CA C 76 59.100 58.753 0.347 1
1 905 . 15 1 1 A 77 77 GLN CB C 76 28.000 28.621 -0.621 1
1 907 . 15 1 1 A 77 77 GLN N N 76 119.300 119.107 0.193 1
1 908 . 15 1 1 A 78 78 MET H H 77 8.060 8.336 -0.276 1
1 909 . 15 1 1 A 78 78 MET HA H 77 4.040 4.192 -0.152 1
1 912 . 15 1 1 A 78 78 MET C C 77 178.700 178.447 0.253 1
1 913 . 15 1 1 A 78 78 MET CA C 77 58.600 59.494 -0.894 1
1 914 . 15 1 1 A 78 78 MET CB C 77 33.000 32.767 0.233 1
1 916 . 15 1 1 A 78 78 MET N N 77 117.600 119.002 -1.402 1
1 917 . 15 1 1 A 79 79 ALA H H 78 8.210 8.264 -0.054 1
1 918 . 15 1 1 A 79 79 ALA HA H 78 4.190 4.047 0.143 1
1 922 . 15 1 1 A 79 79 ALA C C 78 180.600 179.838 0.762 1
1 923 . 15 1 1 A 79 79 ALA CA C 78 54.100 55.196 -1.096 1
1 924 . 15 1 1 A 79 79 ALA CB C 78 18.400 18.207 0.193 1
1 925 . 15 1 1 A 79 79 ALA N N 78 121.400 121.024 0.376 1
1 926 . 15 1 1 A 80 80 ARG H H 79 8.120 7.916 0.204 1
1 927 . 15 1 1 A 80 80 ARG HA H 79 3.960 4.000 -0.040 1
1 934 . 15 1 1 A 80 80 ARG C C 79 177.900 177.808 0.092 1
1 935 . 15 1 1 A 80 80 ARG CA C 79 58.800 58.559 0.241 1
1 936 . 15 1 1 A 80 80 ARG CB C 79 29.900 29.560 0.340 1
1 939 . 15 1 1 A 80 80 ARG N N 79 119.100 119.825 -0.725 1
1 940 . 15 1 1 A 81 81 TYR H H 80 7.800 7.200 0.600 1
1 941 . 15 1 1 A 81 81 TYR HA H 80 4.710 4.561 0.149 1
1 948 . 15 1 1 A 81 81 TYR C C 80 176.500 175.840 0.660 1
1 949 . 15 1 1 A 81 81 TYR CA C 80 57.500 57.983 -0.483 1
1 950 . 15 1 1 A 81 81 TYR CB C 80 38.100 38.764 -0.664 1
1 955 . 15 1 1 A 81 81 TYR N N 80 115.900 116.119 -0.219 1
1 956 . 15 1 1 A 82 82 GLY H H 81 7.850 7.898 -0.048 1
1 957 . 15 1 1 A 82 82 GLY HA2 H 81 4.030 3.953 0.077 1
1 958 . 15 1 1 A 82 82 GLY HA3 H 81 4.030 3.962 0.068 1
1 959 . 15 1 1 A 82 82 GLY C C 81 174.900 175.236 -0.336 1
1 960 . 15 1 1 A 82 82 GLY CA C 81 46.300 46.700 -0.400 1
1 961 . 15 1 1 A 82 82 GLY N N 81 108.500 108.772 -0.272 1
1 962 . 15 1 1 A 83 83 GLN H H 82 8.200 7.900 0.300 1
1 963 . 15 1 1 A 83 83 GLN HA H 82 4.310 4.334 -0.024 1
1 968 . 15 1 1 A 83 83 GLN C C 82 175.500 175.372 0.128 1
1 969 . 15 1 1 A 83 83 GLN CA C 82 55.700 56.113 -0.413 1
1 970 . 15 1 1 A 83 83 GLN CB C 82 29.400 29.389 0.011 1
1 972 . 15 1 1 A 83 83 GLN N N 82 116.900 117.219 -0.319 1
1 973 . 15 1 1 A 84 84 LEU H H 83 7.990 7.530 0.460 1
1 974 . 15 1 1 A 84 84 LEU HA H 83 4.610 4.807 -0.197 1
1 984 . 15 1 1 A 84 84 LEU C C 83 176.500 175.906 0.594 1
1 985 . 15 1 1 A 84 84 LEU CA C 83 54.300 53.295 1.005 1
1 986 . 15 1 1 A 84 84 LEU CB C 83 42.600 44.919 -2.319 1
1 990 . 15 1 1 A 84 84 LEU N N 83 121.400 121.190 0.210 1
1 991 . 15 1 1 A 85 85 SER H H 84 8.630 8.931 -0.301 1
1 992 . 15 1 1 A 85 85 SER HA H 84 4.410 4.759 -0.349 1
1 995 . 15 1 1 A 85 85 SER C C 84 173.700 174.165 -0.465 1
1 996 . 15 1 1 A 85 85 SER CA C 84 59.400 58.949 0.451 1
1 997 . 15 1 1 A 85 85 SER CB C 84 63.900 65.987 -2.087 1
1 998 . 15 1 1 A 85 85 SER N N 84 118.400 118.016 0.384 1
1 999 . 15 1 1 A 86 86 GLU H H 85 7.690 7.988 -0.298 1
1 1000 . 15 1 1 A 86 86 GLU HA H 85 4.530 4.501 0.029 1
1 1005 . 15 1 1 A 86 86 GLU C C 85 175.400 176.109 -0.709 1
1 1006 . 15 1 1 A 86 86 GLU CA C 85 54.900 56.020 -1.120 1
1 1007 . 15 1 1 A 86 86 GLU CB C 85 31.200 30.537 0.663 1
1 1009 . 15 1 1 A 86 86 GLU N N 85 119.400 118.950 0.450 1
1 1010 . 15 1 1 A 87 87 LYS H H 86 8.380 8.539 -0.159 1
1 1011 . 15 1 1 A 87 87 LYS HA H 86 4.230 4.838 -0.608 1
1 1018 . 15 1 1 A 87 87 LYS C C 86 176.900 176.282 0.618 1
1 1019 . 15 1 1 A 87 87 LYS CA C 86 57.000 55.825 1.175 1
1 1020 . 15 1 1 A 87 87 LYS CB C 86 33.300 34.149 -0.849 1
1 1024 . 15 1 1 A 87 87 LYS N N 86 120.400 121.457 -1.057 1
1 1025 . 15 1 1 A 88 88 VAL H H 87 8.960 9.105 -0.145 1
1 1026 . 15 1 1 A 88 88 VAL HA H 87 3.970 4.200 -0.230 1
1 1034 . 15 1 1 A 88 88 VAL C C 87 174.700 176.191 -1.491 1
1 1035 . 15 1 1 A 88 88 VAL CA C 87 63.300 62.690 0.610 1
1 1036 . 15 1 1 A 88 88 VAL CB C 87 32.400 31.981 0.419 1
1 1038 . 15 1 1 A 88 88 VAL N N 87 125.200 123.929 1.271 1
1 1039 . 15 1 1 A 89 89 SER H H 88 8.190 8.764 -0.574 1
1 1040 . 15 1 1 A 89 89 SER HA H 88 4.990 4.821 0.169 1
1 1043 . 15 1 1 A 89 89 SER C C 88 175.700 175.683 0.017 1
1 1044 . 15 1 1 A 89 89 SER CA C 88 56.200 56.919 -0.719 1
1 1045 . 15 1 1 A 89 89 SER CB C 88 66.600 65.732 0.868 1
1 1046 . 15 1 1 A 89 89 SER N N 88 121.700 123.020 -1.320 1
1 1047 . 15 1 1 A 90 90 GLU H H 89 9.230 8.862 0.368 1
1 1048 . 15 1 1 A 90 90 GLU HA H 89 3.720 3.999 -0.279 1
1 1053 . 15 1 1 A 90 90 GLU C C 89 177.700 178.282 -0.582 1
1 1054 . 15 1 1 A 90 90 GLU CA C 89 61.200 59.788 1.412 1
1 1055 . 15 1 1 A 90 90 GLU CB C 89 29.100 29.496 -0.396 1
1 1057 . 15 1 1 A 90 90 GLU N N 89 121.600 120.406 1.194 1
1 1058 . 15 1 1 A 91 91 GLN H H 90 8.430 8.229 0.201 1
1 1059 . 15 1 1 A 91 91 GLN HA H 90 4.040 4.070 -0.030 1
1 1066 . 15 1 1 A 91 91 GLN C C 90 178.900 179.547 -0.647 1
1 1067 . 15 1 1 A 91 91 GLN CA C 90 59.100 58.762 0.338 1
1 1068 . 15 1 1 A 91 91 GLN CB C 90 27.800 28.478 -0.678 1
1 1070 . 15 1 1 A 91 91 GLN N N 90 117.100 118.272 -1.172 1
1 1072 . 15 1 1 A 92 92 GLY H H 91 8.080 7.934 0.146 1
1 1073 . 15 1 1 A 92 92 GLY HA2 H 91 3.890 3.657 0.233 1
1 1074 . 15 1 1 A 92 92 GLY HA3 H 91 3.890 3.661 0.229 1
1 1075 . 15 1 1 A 92 92 GLY C C 91 176.600 175.758 0.842 1
1 1076 . 15 1 1 A 92 92 GLY CA C 91 46.900 47.041 -0.141 1
1 1077 . 15 1 1 A 92 92 GLY N N 91 109.400 109.893 -0.493 1
1 1078 . 15 1 1 A 93 93 LEU H H 92 8.610 8.378 0.232 1
1 1079 . 15 1 1 A 93 93 LEU HA H 92 4.000 4.233 -0.233 1
1 1089 . 15 1 1 A 93 93 LEU C C 92 178.000 178.572 -0.572 1
1 1090 . 15 1 1 A 93 93 LEU CA C 92 57.500 57.090 0.410 1
1 1091 . 15 1 1 A 93 93 LEU CB C 92 41.800 41.367 0.433 1
1 1095 . 15 1 1 A 93 93 LEU N N 92 123.700 122.561 1.139 1
1 1096 . 15 1 1 A 94 94 ILE H H 93 7.970 8.472 -0.502 1
1 1097 . 15 1 1 A 94 94 ILE HA H 93 3.640 3.580 0.060 1
1 1107 . 15 1 1 A 94 94 ILE C C 93 178.500 178.266 0.234 1
1 1108 . 15 1 1 A 94 94 ILE CA C 93 64.800 65.134 -0.334 1
1 1109 . 15 1 1 A 94 94 ILE CB C 93 37.100 37.498 -0.398 1
1 1113 . 15 1 1 A 94 94 ILE N N 93 119.900 119.304 0.596 1
1 1114 . 15 1 1 A 95 95 GLU H H 94 7.610 8.081 -0.471 1
1 1115 . 15 1 1 A 95 95 GLU HA H 94 4.090 4.103 -0.013 1
1 1120 . 15 1 1 A 95 95 GLU C C 94 179.400 179.169 0.231 1
1 1121 . 15 1 1 A 95 95 GLU CA C 94 59.200 59.014 0.186 1
1 1122 . 15 1 1 A 95 95 GLU CB C 94 28.800 29.577 -0.777 1
1 1124 . 15 1 1 A 95 95 GLU N N 94 118.800 122.227 -3.427 1
1 1125 . 15 1 1 A 96 96 ILE H H 95 7.840 7.478 0.362 1
1 1126 . 15 1 1 A 96 96 ILE HA H 95 3.520 3.596 -0.076 1
1 1136 . 15 1 1 A 96 96 ILE C C 95 177.500 177.882 -0.382 1
1 1137 . 15 1 1 A 96 96 ILE CA C 95 65.500 63.990 1.510 1
1 1138 . 15 1 1 A 96 96 ILE CB C 95 37.900 38.080 -0.180 1
1 1142 . 15 1 1 A 96 96 ILE N N 95 121.600 120.937 0.663 1
1 1143 . 15 1 1 A 97 97 LEU H H 96 8.620 8.328 0.292 1
1 1144 . 15 1 1 A 97 97 LEU HA H 96 3.800 3.983 -0.183 1
1 1151 . 15 1 1 A 97 97 LEU C C 96 179.400 178.581 0.819 1
1 1152 . 15 1 1 A 97 97 LEU CA C 96 58.600 58.493 0.107 1
1 1153 . 15 1 1 A 97 97 LEU CB C 96 41.500 41.652 -0.152 1
1 1156 . 15 1 1 A 97 97 LEU N N 96 120.400 121.043 -0.643 1
1 1157 . 15 1 1 A 98 98 LYS H H 97 7.750 8.079 -0.329 1
1 1158 . 15 1 1 A 98 98 LYS HA H 97 3.990 3.968 0.022 1
1 1167 . 15 1 1 A 98 98 LYS C C 97 178.600 179.305 -0.705 1
1 1168 . 15 1 1 A 98 98 LYS CA C 97 59.400 59.929 -0.529 1
1 1169 . 15 1 1 A 98 98 LYS CB C 97 32.300 32.008 0.292 1
1 1172 . 15 1 1 A 98 98 LYS N N 97 119.000 119.044 -0.044 1
1 1173 . 15 1 1 A 99 99 LYS H H 98 7.710 7.562 0.148 1
1 1174 . 15 1 1 A 99 99 LYS HA H 98 4.110 4.064 0.046 1
1 1183 . 15 1 1 A 99 99 LYS C C 98 179.100 178.832 0.268 1
1 1184 . 15 1 1 A 99 99 LYS CA C 98 59.100 58.966 0.134 1
1 1185 . 15 1 1 A 99 99 LYS CB C 98 32.500 32.354 0.146 1
1 1189 . 15 1 1 A 99 99 LYS N N 98 119.500 120.657 -1.157 1
1 1190 . 15 1 1 A 100 100 VAL H H 99 8.210 7.796 0.414 1
1 1191 . 15 1 1 A 100 100 VAL HA H 99 3.920 4.030 -0.110 1
1 1196 . 15 1 1 A 100 100 VAL C C 99 177.600 177.832 -0.232 1
1 1197 . 15 1 1 A 100 100 VAL CA C 99 64.200 64.417 -0.217 1
1 1198 . 15 1 1 A 100 100 VAL CB C 99 31.500 31.340 0.160 1
1 1200 . 15 1 1 A 100 100 VAL N N 99 115.800 116.850 -1.050 1
1 1201 . 15 1 1 A 101 101 SER H H 100 7.900 8.208 -0.308 1
1 1202 . 15 1 1 A 101 101 SER HA H 100 4.340 4.234 0.106 1
1 1205 . 15 1 1 A 101 101 SER C C 100 174.600 175.576 -0.976 1
1 1206 . 15 1 1 A 101 101 SER CA C 100 60.400 61.295 -0.895 1
1 1207 . 15 1 1 A 101 101 SER CB C 100 63.600 63.192 0.408 1
1 1208 . 15 1 1 A 101 101 SER N N 100 116.500 118.050 -1.550 1
1 1209 . 15 1 1 A 102 102 GLN H H 101 7.860 7.481 0.379 1
1 1210 . 15 1 1 A 102 102 GLN HA H 101 4.280 4.266 0.014 1
1 1215 . 15 1 1 A 102 102 GLN C C 101 176.400 177.454 -1.054 1
1 1216 . 15 1 1 A 102 102 GLN CA C 101 56.800 57.743 -0.943 1
1 1217 . 15 1 1 A 102 102 GLN CB C 101 28.900 29.530 -0.630 1
1 1219 . 15 1 1 A 102 102 GLN N N 101 120.100 119.300 0.800 1
1 1220 . 15 1 1 A 103 103 GLN H H 102 8.080 7.683 0.397 1
1 1221 . 15 1 1 A 103 103 GLN HA H 102 4.360 4.444 -0.084 1
1 1226 . 15 1 1 A 103 103 GLN C C 102 176.500 175.391 1.109 1
1 1227 . 15 1 1 A 103 103 GLN CA C 102 56.700 55.724 0.976 1
1 1228 . 15 1 1 A 103 103 GLN CB C 102 29.000 30.513 -1.513 1
1 1230 . 15 1 1 A 103 103 GLN N N 102 119.700 115.981 3.719 1
1 1231 . 15 1 1 A 104 104 THR H H 103 8.070 7.967 0.103 1
1 1232 . 15 1 1 A 104 104 THR HA H 103 4.350 4.012 0.338 1
1 1237 . 15 1 1 A 104 104 THR C C 103 174.700 173.758 0.942 1
1 1238 . 15 1 1 A 104 104 THR CA C 103 62.500 61.951 0.549 1
1 1239 . 15 1 1 A 104 104 THR CB C 103 69.800 67.838 1.962 1
1 1241 . 15 1 1 A 104 104 THR N N 103 113.900 111.567 2.333 1
1 1242 . 15 1 1 A 105 105 GLU H H 104 8.290 8.138 0.152 1
1 1243 . 15 1 1 A 105 105 GLU HA H 104 4.350 4.188 0.162 1
1 1248 . 15 1 1 A 105 105 GLU C C 104 176.300 177.412 -1.112 1
1 1249 . 15 1 1 A 105 105 GLU CA C 104 56.700 57.088 -0.388 1
1 1250 . 15 1 1 A 105 105 GLU CB C 104 29.900 29.239 0.661 1
1 1252 . 15 1 1 A 105 105 GLU N N 104 122.900 125.062 -2.162 1
1 1253 . 15 1 1 A 106 106 LYS H H 105 8.320 8.862 -0.542 1
1 1254 . 15 1 1 A 106 106 LYS HA H 105 4.390 3.990 0.400 1
1 1263 . 15 1 1 A 106 106 LYS C C 105 176.800 175.476 1.324 1
1 1264 . 15 1 1 A 106 106 LYS CA C 105 56.700 57.157 -0.457 1
1 1265 . 15 1 1 A 106 106 LYS CB C 105 32.800 30.998 1.802 1
1 1269 . 15 1 1 A 106 106 LYS N N 105 121.900 123.765 -1.865 1
1 1270 . 15 1 1 A 107 107 THR H H 106 8.150 8.127 0.023 1
1 1271 . 15 1 1 A 107 107 THR HA H 106 4.430 4.330 0.100 1
1 1276 . 15 1 1 A 107 107 THR C C 106 174.600 174.225 0.375 1
1 1277 . 15 1 1 A 107 107 THR CA C 106 62.000 63.320 -1.320 1
1 1278 . 15 1 1 A 107 107 THR CB C 106 70.000 68.319 1.681 1
1 1280 . 15 1 1 A 107 107 THR N N 106 115.000 115.858 -0.858 1
1 1281 . 15 1 1 A 108 108 THR H H 107 8.190 8.422 -0.232 1
1 1282 . 15 1 1 A 108 108 THR HA H 107 4.440 4.674 -0.234 1
1 1287 . 15 1 1 A 108 108 THR C C 107 174.500 175.123 -0.623 1
1 1288 . 15 1 1 A 108 108 THR CA C 107 62.000 62.808 -0.808 1
1 1289 . 15 1 1 A 108 108 THR CB C 107 69.800 71.596 -1.796 1
1 1291 . 15 1 1 A 108 108 THR N N 107 116.500 119.226 -2.726 1
1 1292 . 15 1 1 A 109 109 THR H H 108 8.170 8.194 -0.024 1
1 1293 . 15 1 1 A 109 109 THR HA H 108 4.350 4.023 0.327 1
1 1298 . 15 1 1 A 109 109 THR C C 108 174.200 173.299 0.901 1
1 1299 . 15 1 1 A 109 109 THR CA C 108 62.000 65.073 -3.073 1
1 1300 . 15 1 1 A 109 109 THR CB C 108 69.800 67.437 2.363 1
1 1302 . 15 1 1 A 109 109 THR N N 108 117.200 112.866 4.334 1
1 1303 . 15 1 1 A 110 110 VAL H H 109 8.100 7.409 0.691 1
1 1304 . 15 1 1 A 110 110 VAL HA H 109 4.040 4.203 -0.163 1
1 1312 . 15 1 1 A 110 110 VAL C C 109 175.200 172.902 2.298 1
1 1313 . 15 1 1 A 110 110 VAL CA C 109 62.300 59.839 2.461 1
1 1314 . 15 1 1 A 110 110 VAL CB C 109 32.600 33.897 -1.297 1
1 1316 . 15 1 1 A 110 110 VAL N N 109 123.100 114.095 9.005 1
1 1317 . 15 1 1 A 111 111 LYS H H 110 8.200 8.210 -0.010 1
1 1318 . 15 1 1 A 111 111 LYS HA H 110 4.310 4.501 -0.191 1
1 1327 . 15 1 1 A 111 111 LYS C C 110 175.700 175.499 0.201 1
1 1328 . 15 1 1 A 111 111 LYS CA C 110 55.700 55.360 0.340 1
1 1329 . 15 1 1 A 111 111 LYS CB C 110 33.300 33.288 0.012 1
1 1333 . 15 1 1 A 111 111 LYS N N 110 125.200 122.937 2.263 1
1 1334 . 15 1 1 A 112 112 PHE H H 111 8.310 9.040 -0.730 1
1 1335 . 15 1 1 A 112 112 PHE HA H 111 4.650 4.868 -0.218 1
1 1338 . 15 1 1 A 112 112 PHE C C 111 174.500 175.332 -0.832 1
1 1339 . 15 1 1 A 112 112 PHE CA C 111 57.500 57.866 -0.366 1
1 1340 . 15 1 1 A 112 112 PHE CB C 111 39.700 40.276 -0.576 1
1 1341 . 15 1 1 A 112 112 PHE N N 111 122.100 126.346 -4.246 1
1 1 . 16 1 1 A 2 2 SER H H 1 8.780 8.610 0.170 1
1 2 . 16 1 1 A 2 2 SER HA H 1 4.480 4.689 -0.209 1
1 5 . 16 1 1 A 2 2 SER C C 1 175.000 175.105 -0.105 1
1 6 . 16 1 1 A 2 2 SER CA C 1 59.100 58.863 0.237 1
1 7 . 16 1 1 A 2 2 SER CB C 1 63.900 62.984 0.916 1
1 8 . 16 1 1 A 2 2 SER N N 1 116.600 119.679 -3.079 1
1 9 . 16 1 1 A 3 3 ALA H H 2 8.710 8.870 -0.160 1
1 10 . 16 1 1 A 3 3 ALA HA H 2 4.310 3.922 0.388 1
1 14 . 16 1 1 A 3 3 ALA C C 2 178.800 179.406 -0.606 1
1 15 . 16 1 1 A 3 3 ALA CA C 2 53.800 55.493 -1.693 1
1 16 . 16 1 1 A 3 3 ALA CB C 2 18.500 18.317 0.183 1
1 17 . 16 1 1 A 3 3 ALA N N 2 125.500 130.109 -4.609 1
1 18 . 16 1 1 A 4 4 ASP H H 3 8.190 8.350 -0.160 1
1 19 . 16 1 1 A 4 4 ASP HA H 3 4.500 4.274 0.226 1
1 22 . 16 1 1 A 4 4 ASP C C 3 177.700 178.825 -1.125 1
1 23 . 16 1 1 A 4 4 ASP CA C 3 55.900 57.522 -1.622 1
1 24 . 16 1 1 A 4 4 ASP CB C 3 40.500 41.900 -1.400 1
1 25 . 16 1 1 A 4 4 ASP N N 3 117.800 118.309 -0.509 1
1 26 . 16 1 1 A 5 5 GLU H H 4 8.150 8.339 -0.189 1
1 27 . 16 1 1 A 5 5 GLU HA H 4 4.140 4.033 0.107 1
1 32 . 16 1 1 A 5 5 GLU C C 4 178.600 179.497 -0.897 1
1 33 . 16 1 1 A 5 5 GLU CA C 4 58.600 59.501 -0.901 1
1 34 . 16 1 1 A 5 5 GLU CB C 4 29.100 29.532 -0.432 1
1 36 . 16 1 1 A 5 5 GLU N N 4 120.800 117.596 3.204 1
1 37 . 16 1 1 A 6 6 GLU H H 5 8.250 8.552 -0.302 1
1 38 . 16 1 1 A 6 6 GLU HA H 5 4.200 4.105 0.095 1
1 43 . 16 1 1 A 6 6 GLU C C 5 178.300 178.867 -0.567 1
1 44 . 16 1 1 A 6 6 GLU CA C 5 58.600 59.159 -0.559 1
1 45 . 16 1 1 A 6 6 GLU CB C 5 28.800 28.465 0.335 1
1 47 . 16 1 1 A 6 6 GLU N N 5 120.800 118.819 1.981 1
1 48 . 16 1 1 A 7 7 LEU H H 6 7.990 7.913 0.077 1
1 49 . 16 1 1 A 7 7 LEU HA H 6 4.170 4.148 0.022 1
1 58 . 16 1 1 A 7 7 LEU C C 6 179.500 178.192 1.308 1
1 59 . 16 1 1 A 7 7 LEU CA C 6 57.500 57.647 -0.147 1
1 60 . 16 1 1 A 7 7 LEU CB C 6 41.600 41.575 0.025 1
1 64 . 16 1 1 A 7 7 LEU N N 6 120.900 122.820 -1.920 1
1 65 . 16 1 1 A 8 8 GLU H H 7 8.130 8.911 -0.781 1
1 66 . 16 1 1 A 8 8 GLU HA H 7 4.160 3.914 0.246 1
1 71 . 16 1 1 A 8 8 GLU C C 7 178.300 178.496 -0.196 1
1 72 . 16 1 1 A 8 8 GLU CA C 7 58.800 59.752 -0.952 1
1 73 . 16 1 1 A 8 8 GLU CB C 7 28.800 29.426 -0.626 1
1 75 . 16 1 1 A 8 8 GLU N N 7 120.100 119.067 1.033 1
1 76 . 16 1 1 A 9 9 ALA H H 8 8.030 8.305 -0.275 1
1 77 . 16 1 1 A 9 9 ALA HA H 8 4.090 4.125 -0.035 1
1 81 . 16 1 1 A 9 9 ALA C C 8 180.500 179.639 0.861 1
1 82 . 16 1 1 A 9 9 ALA CA C 8 55.100 55.059 0.041 1
1 83 . 16 1 1 A 9 9 ALA CB C 8 17.900 18.247 -0.347 1
1 84 . 16 1 1 A 9 9 ALA N N 8 122.100 122.360 -0.260 1
1 85 . 16 1 1 A 10 10 LEU H H 9 7.890 8.067 -0.177 1
1 86 . 16 1 1 A 10 10 LEU HA H 9 4.160 4.136 0.024 1
1 95 . 16 1 1 A 10 10 LEU C C 9 179.200 178.400 0.800 1
1 96 . 16 1 1 A 10 10 LEU CA C 9 57.500 57.297 0.203 1
1 97 . 16 1 1 A 10 10 LEU CB C 9 41.800 41.858 -0.058 1
1 101 . 16 1 1 A 10 10 LEU N N 9 119.500 120.217 -0.717 1
1 102 . 16 1 1 A 11 11 ARG H H 10 8.080 7.825 0.255 1
1 103 . 16 1 1 A 11 11 ARG HA H 10 4.010 3.898 0.112 1
1 110 . 16 1 1 A 11 11 ARG C C 10 178.900 179.265 -0.365 1
1 111 . 16 1 1 A 11 11 ARG CA C 10 59.400 59.814 -0.414 1
1 112 . 16 1 1 A 11 11 ARG CB C 10 30.100 29.688 0.412 1
1 115 . 16 1 1 A 11 11 ARG N N 10 120.400 118.932 1.468 1
1 116 . 16 1 1 A 12 12 ARG H H 11 8.170 8.313 -0.143 1
1 117 . 16 1 1 A 12 12 ARG HA H 11 4.040 4.096 -0.056 1
1 124 . 16 1 1 A 12 12 ARG C C 11 178.900 178.783 0.117 1
1 125 . 16 1 1 A 12 12 ARG CA C 11 59.300 59.299 0.001 1
1 126 . 16 1 1 A 12 12 ARG CB C 11 30.000 29.811 0.189 1
1 129 . 16 1 1 A 12 12 ARG N N 11 118.400 118.940 -0.540 1
1 130 . 16 1 1 A 13 13 GLN H H 12 8.060 8.216 -0.156 1
1 131 . 16 1 1 A 13 13 GLN HA H 12 4.150 4.020 0.130 1
1 136 . 16 1 1 A 13 13 GLN C C 12 177.900 178.579 -0.679 1
1 137 . 16 1 1 A 13 13 GLN CA C 12 58.600 59.188 -0.588 1
1 138 . 16 1 1 A 13 13 GLN CB C 12 28.500 28.335 0.165 1
1 140 . 16 1 1 A 13 13 GLN N N 12 120.400 119.236 1.164 1
1 141 . 16 1 1 A 14 14 ARG H H 13 8.180 7.712 0.468 1
1 142 . 16 1 1 A 14 14 ARG HA H 13 4.160 4.184 -0.024 1
1 149 . 16 1 1 A 14 14 ARG C C 13 178.600 178.512 0.088 1
1 150 . 16 1 1 A 14 14 ARG CA C 13 58.600 59.151 -0.551 1
1 151 . 16 1 1 A 14 14 ARG CB C 13 29.900 29.980 -0.080 1
1 154 . 16 1 1 A 14 14 ARG N N 13 119.900 120.505 -0.605 1
1 155 . 16 1 1 A 15 15 LEU H H 14 7.980 8.144 -0.164 1
1 156 . 16 1 1 A 15 15 LEU HA H 14 4.180 4.090 0.090 1
1 165 . 16 1 1 A 15 15 LEU C C 14 178.800 178.789 0.011 1
1 166 . 16 1 1 A 15 15 LEU CA C 14 57.300 57.504 -0.204 1
1 167 . 16 1 1 A 15 15 LEU CB C 14 41.700 40.998 0.702 1
1 171 . 16 1 1 A 15 15 LEU N N 14 119.900 121.231 -1.331 1
1 172 . 16 1 1 A 16 16 ALA H H 15 7.930 7.778 0.152 1
1 173 . 16 1 1 A 16 16 ALA HA H 15 4.190 4.125 0.065 1
1 177 . 16 1 1 A 16 16 ALA C C 15 180.100 178.760 1.340 1
1 178 . 16 1 1 A 16 16 ALA CA C 15 54.500 55.039 -0.539 1
1 179 . 16 1 1 A 16 16 ALA CB C 15 18.000 18.040 -0.040 1
1 180 . 16 1 1 A 16 16 ALA N N 15 122.000 121.113 0.887 1
1 181 . 16 1 1 A 17 17 GLU H H 16 8.010 7.440 0.570 1
1 182 . 16 1 1 A 17 17 GLU HA H 16 4.160 4.189 -0.029 1
1 187 . 16 1 1 A 17 17 GLU C C 16 178.100 179.138 -1.038 1
1 188 . 16 1 1 A 17 17 GLU CA C 16 58.100 58.476 -0.376 1
1 189 . 16 1 1 A 17 17 GLU CB C 16 28.900 29.114 -0.214 1
1 191 . 16 1 1 A 17 17 GLU N N 16 118.500 117.848 0.652 1
1 192 . 16 1 1 A 18 18 LEU H H 17 7.890 7.711 0.179 1
1 193 . 16 1 1 A 18 18 LEU HA H 17 4.200 4.134 0.066 1
1 203 . 16 1 1 A 18 18 LEU C C 17 178.700 176.727 1.973 1
1 204 . 16 1 1 A 18 18 LEU CA C 17 56.900 57.310 -0.410 1
1 205 . 16 1 1 A 18 18 LEU CB C 17 42.100 42.406 -0.306 1
1 209 . 16 1 1 A 18 18 LEU N N 17 120.400 121.861 -1.461 1
1 210 . 16 1 1 A 19 19 GLN H H 18 8.020 7.570 0.450 1
1 211 . 16 1 1 A 19 19 GLN HA H 18 4.200 3.935 0.265 1
1 216 . 16 1 1 A 19 19 GLN C C 18 176.700 175.058 1.642 1
1 217 . 16 1 1 A 19 19 GLN CA C 18 56.900 58.285 -1.385 1
1 218 . 16 1 1 A 19 19 GLN CB C 18 28.800 26.565 2.235 1
1 220 . 16 1 1 A 19 19 GLN N N 18 118.500 117.422 1.078 1
1 221 . 16 1 1 A 20 20 ALA H H 19 7.850 7.793 0.057 1
1 222 . 16 1 1 A 20 20 ALA HA H 19 4.240 4.333 -0.093 1
1 226 . 16 1 1 A 20 20 ALA C C 19 178.000 177.707 0.293 1
1 227 . 16 1 1 A 20 20 ALA CA C 19 53.100 51.371 1.729 1
1 228 . 16 1 1 A 20 20 ALA CB C 19 18.700 17.891 0.809 1
1 229 . 16 1 1 A 20 20 ALA N N 19 122.700 122.869 -0.169 1
1 230 . 16 1 1 A 21 21 LYS H H 20 7.950 8.400 -0.450 1
1 231 . 16 1 1 A 21 21 LYS HA H 20 4.260 4.195 0.065 1
1 238 . 16 1 1 A 21 21 LYS C C 20 176.600 176.669 -0.069 1
1 239 . 16 1 1 A 21 21 LYS CA C 20 56.500 57.717 -1.217 1
1 240 . 16 1 1 A 21 21 LYS CB C 20 32.600 33.151 -0.551 1
1 244 . 16 1 1 A 21 21 LYS N N 20 118.800 124.508 -5.708 1
1 245 . 16 1 1 A 22 22 HIS H H 21 8.320 8.165 0.155 1
1 246 . 16 1 1 A 22 22 HIS HA H 21 4.730 4.223 0.507 1
1 249 . 16 1 1 A 22 22 HIS C C 21 174.800 175.906 -1.106 1
1 250 . 16 1 1 A 22 22 HIS CA C 21 55.400 56.831 -1.431 1
1 251 . 16 1 1 A 22 22 HIS CB C 21 28.800 28.106 0.694 1
1 252 . 16 1 1 A 22 22 HIS N N 21 118.600 117.384 1.216 1
1 253 . 16 1 1 A 23 23 GLY H H 22 8.360 8.217 0.143 1
1 254 . 16 1 1 A 23 23 GLY HA2 H 22 3.960 3.945 0.015 1
1 255 . 16 1 1 A 23 23 GLY HA3 H 22 3.960 3.991 -0.031 1
1 256 . 16 1 1 A 23 23 GLY C C 22 173.200 173.906 -0.706 1
1 257 . 16 1 1 A 23 23 GLY CA C 22 45.000 45.617 -0.617 1
1 258 . 16 1 1 A 23 23 GLY N N 22 109.600 108.327 1.273 1
1 259 . 16 1 1 A 24 24 ASP H H 23 8.320 7.520 0.800 1
1 260 . 16 1 1 A 24 24 ASP HA H 23 4.940 4.974 -0.034 1
1 263 . 16 1 1 A 24 24 ASP C C 23 174.900 176.711 -1.811 1
1 264 . 16 1 1 A 24 24 ASP CA C 23 52.200 51.523 0.677 1
1 265 . 16 1 1 A 24 24 ASP CB C 23 41.300 41.918 -0.618 1
1 266 . 16 1 1 A 24 24 ASP N N 23 121.600 118.609 2.991 1
1 267 . 16 1 1 A 25 25 PRO HA H 24 4.430 4.327 0.103 1
1 274 . 16 1 1 A 25 25 PRO C C 24 177.800 177.068 0.732 1
1 275 . 16 1 1 A 25 25 PRO CA C 24 64.100 64.615 -0.515 1
1 276 . 16 1 1 A 25 25 PRO CB C 24 31.900 31.920 -0.020 1
1 279 . 16 1 1 A 26 26 GLY H H 25 8.520 8.233 0.287 1
1 280 . 16 1 1 A 26 26 GLY HA2 H 25 3.940 3.921 0.019 1
1 281 . 16 1 1 A 26 26 GLY HA3 H 25 3.940 3.992 -0.052 1
1 282 . 16 1 1 A 26 26 GLY C C 25 174.400 173.923 0.477 1
1 283 . 16 1 1 A 26 26 GLY CA C 25 45.500 45.252 0.248 1
1 284 . 16 1 1 A 26 26 GLY N N 25 108.300 106.824 1.476 1
1 285 . 16 1 1 A 27 27 ASP H H 26 8.100 8.123 -0.023 1
1 286 . 16 1 1 A 27 27 ASP HA H 26 4.610 4.810 -0.200 1
1 289 . 16 1 1 A 27 27 ASP C C 26 176.900 177.444 -0.544 1
1 290 . 16 1 1 A 27 27 ASP CA C 26 54.800 54.383 0.417 1
1 291 . 16 1 1 A 27 27 ASP CB C 26 40.800 42.168 -1.368 1
1 292 . 16 1 1 A 27 27 ASP N N 26 120.700 121.115 -0.415 1
1 293 . 16 1 1 A 28 28 ALA H H 27 8.320 7.908 0.412 1
1 294 . 16 1 1 A 28 28 ALA HA H 27 4.180 4.393 -0.213 1
1 298 . 16 1 1 A 28 28 ALA C C 27 179.300 179.823 -0.523 1
1 299 . 16 1 1 A 28 28 ALA CA C 27 54.600 54.694 -0.094 1
1 300 . 16 1 1 A 28 28 ALA CB C 27 18.400 18.169 0.231 1
1 301 . 16 1 1 A 28 28 ALA N N 27 124.100 121.338 2.762 1
1 302 . 16 1 1 A 29 29 ALA H H 28 8.250 7.922 0.328 1
1 303 . 16 1 1 A 29 29 ALA HA H 28 4.230 4.011 0.219 1
1 307 . 16 1 1 A 29 29 ALA C C 28 180.000 179.386 0.614 1
1 308 . 16 1 1 A 29 29 ALA CA C 28 54.300 55.269 -0.969 1
1 309 . 16 1 1 A 29 29 ALA CB C 28 18.200 18.662 -0.462 1
1 310 . 16 1 1 A 29 29 ALA N N 28 121.200 120.283 0.917 1
1 311 . 16 1 1 A 30 30 GLN H H 29 8.120 7.868 0.252 1
1 312 . 16 1 1 A 30 30 GLN HA H 29 4.230 4.050 0.180 1
1 317 . 16 1 1 A 30 30 GLN C C 29 177.900 178.055 -0.155 1
1 318 . 16 1 1 A 30 30 GLN CA C 29 57.800 58.650 -0.850 1
1 319 . 16 1 1 A 30 30 GLN CB C 29 28.600 28.071 0.529 1
1 321 . 16 1 1 A 30 30 GLN N N 29 118.800 116.406 2.394 1
1 322 . 16 1 1 A 31 31 GLN H H 30 8.240 7.924 0.316 1
1 323 . 16 1 1 A 31 31 GLN HA H 30 4.120 4.116 0.004 1
1 328 . 16 1 1 A 31 31 GLN C C 30 178.100 178.416 -0.316 1
1 329 . 16 1 1 A 31 31 GLN CA C 30 58.000 59.052 -1.052 1
1 330 . 16 1 1 A 31 31 GLN CB C 30 28.500 28.385 0.115 1
1 332 . 16 1 1 A 31 31 GLN N N 30 119.600 119.225 0.375 1
1 333 . 16 1 1 A 32 32 GLU H H 31 8.300 8.415 -0.115 1
1 334 . 16 1 1 A 32 32 GLU HA H 31 4.190 4.113 0.077 1
1 339 . 16 1 1 A 32 32 GLU C C 31 178.100 178.248 -0.148 1
1 340 . 16 1 1 A 32 32 GLU CA C 31 58.600 59.579 -0.979 1
1 341 . 16 1 1 A 32 32 GLU CB C 31 28.800 29.485 -0.685 1
1 343 . 16 1 1 A 32 32 GLU N N 31 120.800 119.967 0.833 1
1 344 . 16 1 1 A 33 33 ALA H H 32 8.070 8.451 -0.381 1
1 345 . 16 1 1 A 33 33 ALA HA H 32 4.160 4.081 0.079 1
1 349 . 16 1 1 A 33 33 ALA C C 32 179.900 179.465 0.435 1
1 350 . 16 1 1 A 33 33 ALA CA C 32 54.900 55.070 -0.170 1
1 351 . 16 1 1 A 33 33 ALA CB C 32 18.200 18.499 -0.299 1
1 352 . 16 1 1 A 33 33 ALA N N 32 123.000 122.107 0.893 1
1 353 . 16 1 1 A 34 34 LYS H H 33 8.050 8.067 -0.017 1
1 354 . 16 1 1 A 34 34 LYS HA H 33 4.150 4.066 0.084 1
1 363 . 16 1 1 A 34 34 LYS C C 33 178.900 178.931 -0.031 1
1 364 . 16 1 1 A 34 34 LYS CA C 33 58.600 59.186 -0.586 1
1 365 . 16 1 1 A 34 34 LYS CB C 33 32.300 32.009 0.291 1
1 369 . 16 1 1 A 34 34 LYS N N 33 118.600 119.091 -0.491 1
1 370 . 16 1 1 A 35 35 HIS H H 34 8.240 8.581 -0.341 1
1 371 . 16 1 1 A 35 35 HIS HA H 34 4.580 4.203 0.377 1
1 374 . 16 1 1 A 35 35 HIS C C 34 176.300 177.209 -0.909 1
1 375 . 16 1 1 A 35 35 HIS CA C 34 57.800 60.151 -2.351 1
1 376 . 16 1 1 A 35 35 HIS CB C 34 28.300 29.749 -1.449 1
1 377 . 16 1 1 A 35 35 HIS N N 34 119.100 119.536 -0.436 1
1 378 . 16 1 1 A 36 36 ARG H H 35 8.390 8.671 -0.281 1
1 379 . 16 1 1 A 36 36 ARG HA H 35 4.160 3.640 0.520 1
1 386 . 16 1 1 A 36 36 ARG C C 35 178.500 178.683 -0.183 1
1 387 . 16 1 1 A 36 36 ARG CA C 35 58.800 59.312 -0.512 1
1 388 . 16 1 1 A 36 36 ARG CB C 35 29.200 29.683 -0.483 1
1 391 . 16 1 1 A 36 36 ARG N N 35 120.600 119.219 1.381 1
1 392 . 16 1 1 A 37 37 GLU H H 36 8.240 8.416 -0.176 1
1 393 . 16 1 1 A 37 37 GLU HA H 36 4.080 4.097 -0.017 1
1 398 . 16 1 1 A 37 37 GLU C C 36 178.200 178.605 -0.405 1
1 399 . 16 1 1 A 37 37 GLU CA C 36 59.100 58.835 0.265 1
1 400 . 16 1 1 A 37 37 GLU CB C 36 29.100 29.455 -0.355 1
1 402 . 16 1 1 A 37 37 GLU N N 36 120.400 119.288 1.112 1
1 403 . 16 1 1 A 38 38 ALA H H 37 7.980 7.888 0.092 1
1 404 . 16 1 1 A 38 38 ALA HA H 37 4.100 4.066 0.034 1
1 408 . 16 1 1 A 38 38 ALA C C 37 179.800 178.944 0.856 1
1 409 . 16 1 1 A 38 38 ALA CA C 37 55.100 54.865 0.235 1
1 410 . 16 1 1 A 38 38 ALA CB C 37 18.000 18.414 -0.414 1
1 411 . 16 1 1 A 38 38 ALA N N 37 122.000 122.139 -0.139 1
1 412 . 16 1 1 A 39 39 GLU H H 38 8.050 8.321 -0.271 1
1 413 . 16 1 1 A 39 39 GLU HA H 38 4.120 3.984 0.136 1
1 418 . 16 1 1 A 39 39 GLU C C 38 179.000 178.733 0.267 1
1 419 . 16 1 1 A 39 39 GLU CA C 38 58.800 59.049 -0.249 1
1 420 . 16 1 1 A 39 39 GLU CB C 38 29.100 28.923 0.177 1
1 422 . 16 1 1 A 39 39 GLU N N 38 118.200 118.472 -0.272 1
1 423 . 16 1 1 A 40 40 MET H H 39 8.130 7.933 0.197 1
1 424 . 16 1 1 A 40 40 MET HA H 39 4.200 4.142 0.058 1
1 429 . 16 1 1 A 40 40 MET C C 39 178.200 178.049 0.151 1
1 430 . 16 1 1 A 40 40 MET CA C 39 58.100 58.460 -0.360 1
1 431 . 16 1 1 A 40 40 MET CB C 39 32.300 32.072 0.228 1
1 433 . 16 1 1 A 40 40 MET N N 39 120.300 119.318 0.982 1
1 434 . 16 1 1 A 41 41 ARG HA H 40 3.890 4.044 -0.154 1
1 441 . 16 1 1 A 41 41 ARG C C 40 177.700 179.050 -1.350 1
1 442 . 16 1 1 A 41 41 ARG CA C 40 59.500 59.547 -0.047 1
1 443 . 16 1 1 A 41 41 ARG CB C 40 30.300 30.215 0.085 1
1 444 . 16 1 1 A 42 42 ASN H H 41 8.190 8.494 -0.304 1
1 445 . 16 1 1 A 42 42 ASN HA H 41 4.440 4.474 -0.034 1
1 450 . 16 1 1 A 42 42 ASN C C 41 177.700 178.146 -0.446 1
1 451 . 16 1 1 A 42 42 ASN CA C 41 55.900 55.730 0.170 1
1 452 . 16 1 1 A 42 42 ASN CB C 41 38.100 38.202 -0.102 1
1 453 . 16 1 1 A 42 42 ASN N N 41 116.300 118.602 -2.302 1
1 455 . 16 1 1 A 43 43 SER H H 42 8.130 7.924 0.206 1
1 456 . 16 1 1 A 43 43 SER HA H 42 4.300 4.177 0.123 1
1 459 . 16 1 1 A 43 43 SER C C 42 176.600 176.658 -0.058 1
1 460 . 16 1 1 A 43 43 SER CA C 42 61.200 62.262 -1.062 1
1 461 . 16 1 1 A 43 43 SER CB C 42 63.100 62.907 0.193 1
1 462 . 16 1 1 A 43 43 SER N N 42 116.300 118.036 -1.736 1
1 463 . 16 1 1 A 44 44 ILE H H 43 7.940 7.617 0.323 1
1 464 . 16 1 1 A 44 44 ILE HA H 43 3.860 3.789 0.071 1
1 474 . 16 1 1 A 44 44 ILE C C 43 178.400 178.158 0.242 1
1 475 . 16 1 1 A 44 44 ILE CA C 43 64.500 64.456 0.044 1
1 476 . 16 1 1 A 44 44 ILE CB C 43 37.900 37.468 0.432 1
1 480 . 16 1 1 A 44 44 ILE N N 43 122.500 119.201 3.299 1
1 481 . 16 1 1 A 45 45 LEU H H 44 8.070 8.505 -0.435 1
1 482 . 16 1 1 A 45 45 LEU HA H 44 3.940 3.920 0.020 1
1 492 . 16 1 1 A 45 45 LEU C C 44 178.200 179.123 -0.923 1
1 493 . 16 1 1 A 45 45 LEU CA C 44 58.100 57.967 0.133 1
1 494 . 16 1 1 A 45 45 LEU CB C 44 41.100 41.325 -0.225 1
1 498 . 16 1 1 A 45 45 LEU N N 44 119.100 121.899 -2.799 1
1 499 . 16 1 1 A 46 46 ALA H H 45 7.760 8.108 -0.348 1
1 500 . 16 1 1 A 46 46 ALA HA H 45 4.100 4.056 0.044 1
1 504 . 16 1 1 A 46 46 ALA C C 45 178.700 178.576 0.124 1
1 505 . 16 1 1 A 46 46 ALA CA C 45 54.100 54.561 -0.461 1
1 506 . 16 1 1 A 46 46 ALA CB C 45 18.100 18.108 -0.008 1
1 507 . 16 1 1 A 46 46 ALA N N 45 117.600 121.221 -3.621 1
1 508 . 16 1 1 A 47 47 GLN H H 46 7.570 7.248 0.322 1
1 509 . 16 1 1 A 47 47 GLN HA H 46 4.270 4.275 -0.005 1
1 514 . 16 1 1 A 47 47 GLN C C 46 177.800 177.697 0.103 1
1 515 . 16 1 1 A 47 47 GLN CA C 46 57.300 57.751 -0.451 1
1 516 . 16 1 1 A 47 47 GLN CB C 46 29.500 29.433 0.067 1
1 518 . 16 1 1 A 47 47 GLN N N 46 114.300 116.454 -2.154 1
1 519 . 16 1 1 A 48 48 VAL H H 47 7.690 7.111 0.579 1
1 520 . 16 1 1 A 48 48 VAL HA H 47 4.380 4.127 0.253 1
1 528 . 16 1 1 A 48 48 VAL C C 47 174.400 176.095 -1.695 1
1 529 . 16 1 1 A 48 48 VAL CA C 47 62.600 64.617 -2.017 1
1 530 . 16 1 1 A 48 48 VAL CB C 47 32.800 32.219 0.581 1
1 533 . 16 1 1 A 48 48 VAL N N 47 111.900 112.152 -0.252 1
1 534 . 16 1 1 A 49 49 LEU H H 48 7.480 7.882 -0.402 1
1 535 . 16 1 1 A 49 49 LEU HA H 48 4.910 4.343 0.567 1
1 545 . 16 1 1 A 49 49 LEU C C 48 177.000 176.047 0.953 1
1 546 . 16 1 1 A 49 49 LEU CA C 48 53.700 54.128 -0.428 1
1 547 . 16 1 1 A 49 49 LEU CB C 48 44.500 42.334 2.166 1
1 551 . 16 1 1 A 49 49 LEU N N 48 119.600 122.048 -2.448 1
1 552 . 16 1 1 A 50 50 ASP H H 49 8.430 8.817 -0.387 1
1 553 . 16 1 1 A 50 50 ASP HA H 49 4.630 4.787 -0.157 1
1 556 . 16 1 1 A 50 50 ASP C C 49 176.000 176.879 -0.879 1
1 557 . 16 1 1 A 50 50 ASP CA C 49 53.000 53.059 -0.059 1
1 558 . 16 1 1 A 50 50 ASP CB C 49 40.200 42.142 -1.942 1
1 559 . 16 1 1 A 50 50 ASP N N 49 121.200 125.182 -3.982 1
1 560 . 16 1 1 A 51 51 GLN H H 50 8.580 8.682 -0.102 1
1 561 . 16 1 1 A 51 51 GLN HA H 50 3.950 3.918 0.032 1
1 566 . 16 1 1 A 51 51 GLN C C 50 178.800 177.997 0.803 1
1 567 . 16 1 1 A 51 51 GLN CA C 50 60.200 59.772 0.428 1
1 568 . 16 1 1 A 51 51 GLN CB C 50 28.300 28.557 -0.257 1
1 570 . 16 1 1 A 51 51 GLN N N 50 118.200 124.218 -6.018 1
1 571 . 16 1 1 A 52 52 SER H H 51 8.430 8.127 0.303 1
1 572 . 16 1 1 A 52 52 SER HA H 51 4.320 4.107 0.213 1
1 575 . 16 1 1 A 52 52 SER C C 51 177.200 175.882 1.318 1
1 576 . 16 1 1 A 52 52 SER CA C 51 61.500 61.880 -0.380 1
1 577 . 16 1 1 A 52 52 SER CB C 51 62.400 63.137 -0.737 1
1 578 . 16 1 1 A 52 52 SER N N 51 117.000 116.096 0.904 1
1 579 . 16 1 1 A 53 53 ALA H H 52 8.760 8.106 0.654 1
1 580 . 16 1 1 A 53 53 ALA HA H 52 3.960 3.951 0.009 1
1 584 . 16 1 1 A 53 53 ALA C C 52 178.900 179.349 -0.449 1
1 585 . 16 1 1 A 53 53 ALA CA C 52 55.400 55.325 0.075 1
1 586 . 16 1 1 A 53 53 ALA CB C 52 19.200 17.956 1.244 1
1 587 . 16 1 1 A 53 53 ALA N N 52 127.400 123.368 4.032 1
1 588 . 16 1 1 A 54 54 ARG H H 53 8.640 8.528 0.112 1
1 589 . 16 1 1 A 54 54 ARG HA H 53 3.880 4.058 -0.178 1
1 596 . 16 1 1 A 54 54 ARG C C 53 179.000 177.837 1.163 1
1 597 . 16 1 1 A 54 54 ARG CA C 53 59.700 58.965 0.735 1
1 598 . 16 1 1 A 54 54 ARG CB C 53 29.900 29.858 0.042 1
1 601 . 16 1 1 A 54 54 ARG N N 53 118.200 118.895 -0.695 1
1 602 . 16 1 1 A 55 55 ALA H H 54 7.960 8.248 -0.288 1
1 603 . 16 1 1 A 55 55 ALA HA H 54 4.190 4.051 0.139 1
1 607 . 16 1 1 A 55 55 ALA C C 54 180.100 179.166 0.934 1
1 608 . 16 1 1 A 55 55 ALA CA C 54 55.100 55.148 -0.048 1
1 609 . 16 1 1 A 55 55 ALA CB C 54 17.700 18.308 -0.608 1
1 610 . 16 1 1 A 55 55 ALA N N 54 122.200 120.646 1.554 1
1 611 . 16 1 1 A 56 56 ARG H H 55 7.800 7.951 -0.151 1
1 612 . 16 1 1 A 56 56 ARG HA H 55 4.160 4.079 0.081 1
1 619 . 16 1 1 A 56 56 ARG C C 55 178.900 179.001 -0.101 1
1 620 . 16 1 1 A 56 56 ARG CA C 55 58.300 59.107 -0.807 1
1 621 . 16 1 1 A 56 56 ARG CB C 55 29.100 29.757 -0.657 1
1 624 . 16 1 1 A 56 56 ARG N N 55 119.100 118.746 0.354 1
1 625 . 16 1 1 A 57 57 LEU H H 56 8.390 7.738 0.652 1
1 626 . 16 1 1 A 57 57 LEU HA H 56 4.060 4.030 0.030 1
1 635 . 16 1 1 A 57 57 LEU C C 56 178.100 179.044 -0.944 1
1 636 . 16 1 1 A 57 57 LEU CA C 56 57.800 57.880 -0.080 1
1 637 . 16 1 1 A 57 57 LEU CB C 56 41.600 41.220 0.380 1
1 641 . 16 1 1 A 57 57 LEU N N 56 120.600 119.458 1.142 1
1 642 . 16 1 1 A 58 58 SER H H 57 8.150 7.569 0.581 1
1 643 . 16 1 1 A 58 58 SER HA H 57 4.210 4.079 0.131 1
1 646 . 16 1 1 A 58 58 SER C C 57 176.500 175.992 0.508 1
1 647 . 16 1 1 A 58 58 SER CA C 57 61.800 62.278 -0.478 1
1 648 . 16 1 1 A 58 58 SER CB C 57 62.600 62.739 -0.139 1
1 649 . 16 1 1 A 58 58 SER N N 57 114.100 117.065 -2.965 1
1 650 . 16 1 1 A 59 59 ASN H H 58 7.700 7.996 -0.296 1
1 651 . 16 1 1 A 59 59 ASN HA H 58 4.580 4.466 0.114 1
1 656 . 16 1 1 A 59 59 ASN C C 58 178.000 177.638 0.362 1
1 657 . 16 1 1 A 59 59 ASN CA C 58 56.200 56.778 -0.578 1
1 658 . 16 1 1 A 59 59 ASN CB C 58 38.700 39.316 -0.616 1
1 659 . 16 1 1 A 59 59 ASN N N 58 119.500 120.522 -1.022 1
1 661 . 16 1 1 A 60 60 LEU H H 59 8.250 8.014 0.236 1
1 662 . 16 1 1 A 60 60 LEU HA H 59 4.070 3.983 0.087 1
1 671 . 16 1 1 A 60 60 LEU C C 59 178.400 179.150 -0.750 1
1 672 . 16 1 1 A 60 60 LEU CA C 59 57.500 57.973 -0.473 1
1 673 . 16 1 1 A 60 60 LEU CB C 59 42.100 41.274 0.826 1
1 677 . 16 1 1 A 60 60 LEU N N 59 123.000 119.604 3.396 1
1 678 . 16 1 1 A 61 61 ALA H H 60 8.070 7.881 0.189 1
1 679 . 16 1 1 A 61 61 ALA HA H 60 3.910 4.428 -0.518 1
1 683 . 16 1 1 A 61 61 ALA C C 60 178.400 178.106 0.294 1
1 684 . 16 1 1 A 61 61 ALA CA C 60 54.600 54.406 0.194 1
1 685 . 16 1 1 A 61 61 ALA CB C 60 18.200 18.438 -0.238 1
1 686 . 16 1 1 A 61 61 ALA N N 60 120.700 121.957 -1.257 1
1 687 . 16 1 1 A 62 62 LEU H H 61 7.170 7.511 -0.341 1
1 688 . 16 1 1 A 62 62 LEU HA H 61 4.200 4.371 -0.171 1
1 695 . 16 1 1 A 62 62 LEU C C 61 178.300 177.955 0.345 1
1 696 . 16 1 1 A 62 62 LEU CA C 61 56.500 54.866 1.634 1
1 697 . 16 1 1 A 62 62 LEU CB C 61 42.100 42.185 -0.085 1
1 701 . 16 1 1 A 62 62 LEU N N 61 113.700 116.073 -2.373 1
1 702 . 16 1 1 A 63 63 VAL H H 62 7.330 7.323 0.007 1
1 703 . 16 1 1 A 63 63 VAL HA H 62 4.380 4.348 0.032 1
1 711 . 16 1 1 A 63 63 VAL C C 62 176.200 175.979 0.221 1
1 712 . 16 1 1 A 63 63 VAL CA C 62 62.800 62.326 0.474 1
1 713 . 16 1 1 A 63 63 VAL CB C 62 33.900 33.551 0.349 1
1 716 . 16 1 1 A 63 63 VAL N N 62 112.500 110.350 2.150 1
1 717 . 16 1 1 A 64 64 LYS H H 63 8.710 8.368 0.342 1
1 718 . 16 1 1 A 64 64 LYS HA H 63 5.000 4.778 0.222 1
1 727 . 16 1 1 A 64 64 LYS C C 63 174.200 174.936 -0.736 1
1 728 . 16 1 1 A 64 64 LYS CA C 63 53.600 53.747 -0.147 1
1 729 . 16 1 1 A 64 64 LYS CB C 63 33.400 33.093 0.307 1
1 733 . 16 1 1 A 64 64 LYS N N 63 120.400 120.759 -0.359 1
1 734 . 16 1 1 A 65 65 PRO HA H 64 4.360 4.651 -0.291 1
1 741 . 16 1 1 A 65 65 PRO C C 64 179.400 177.697 1.703 1
1 742 . 16 1 1 A 65 65 PRO CA C 64 66.000 64.647 1.353 1
1 743 . 16 1 1 A 65 65 PRO CB C 64 31.400 32.012 -0.612 1
1 746 . 16 1 1 A 66 66 GLU H H 65 8.920 8.278 0.642 1
1 747 . 16 1 1 A 66 66 GLU HA H 65 4.200 4.137 0.063 1
1 752 . 16 1 1 A 66 66 GLU C C 65 179.600 179.289 0.311 1
1 753 . 16 1 1 A 66 66 GLU CA C 65 59.400 59.621 -0.221 1
1 754 . 16 1 1 A 66 66 GLU CB C 65 28.300 29.297 -0.997 1
1 756 . 16 1 1 A 66 66 GLU N N 65 118.700 118.194 0.506 1
1 757 . 16 1 1 A 67 67 LYS H H 66 8.000 7.807 0.193 1
1 758 . 16 1 1 A 67 67 LYS HA H 66 4.160 4.150 0.010 1
1 767 . 16 1 1 A 67 67 LYS C C 66 178.400 179.230 -0.830 1
1 768 . 16 1 1 A 67 67 LYS CA C 66 58.500 58.700 -0.200 1
1 769 . 16 1 1 A 67 67 LYS CB C 66 32.300 31.922 0.378 1
1 773 . 16 1 1 A 67 67 LYS N N 66 121.300 119.345 1.955 1
1 774 . 16 1 1 A 68 68 THR H H 67 7.960 7.613 0.347 1
1 775 . 16 1 1 A 68 68 THR HA H 67 4.130 3.874 0.256 1
1 780 . 16 1 1 A 68 68 THR C C 67 176.200 176.273 -0.073 1
1 781 . 16 1 1 A 68 68 THR CA C 67 67.800 67.160 0.640 1
1 782 . 16 1 1 A 68 68 THR CB C 67 67.800 68.657 -0.857 1
1 784 . 16 1 1 A 68 68 THR N N 67 114.200 116.676 -2.476 1
1 785 . 16 1 1 A 69 69 LYS H H 68 7.770 7.885 -0.115 1
1 786 . 16 1 1 A 69 69 LYS HA H 68 3.990 4.245 -0.255 1
1 795 . 16 1 1 A 69 69 LYS C C 68 178.100 179.189 -1.089 1
1 796 . 16 1 1 A 69 69 LYS CA C 68 59.400 59.338 0.062 1
1 797 . 16 1 1 A 69 69 LYS CB C 68 31.700 32.285 -0.585 1
1 801 . 16 1 1 A 69 69 LYS N N 68 122.000 119.610 2.390 1
1 802 . 16 1 1 A 70 70 ALA H H 69 7.480 7.823 -0.343 1
1 803 . 16 1 1 A 70 70 ALA HA H 69 4.240 4.076 0.164 1
1 807 . 16 1 1 A 70 70 ALA C C 69 181.200 179.747 1.453 1
1 808 . 16 1 1 A 70 70 ALA CA C 69 55.200 55.111 0.089 1
1 809 . 16 1 1 A 70 70 ALA CB C 69 17.900 18.599 -0.699 1
1 810 . 16 1 1 A 70 70 ALA N N 69 120.300 122.500 -2.200 1
1 811 . 16 1 1 A 71 71 VAL H H 70 8.160 8.514 -0.354 1
1 812 . 16 1 1 A 71 71 VAL HA H 70 3.620 3.790 -0.170 1
1 820 . 16 1 1 A 71 71 VAL C C 70 177.400 178.103 -0.703 1
1 821 . 16 1 1 A 71 71 VAL CA C 70 66.600 65.162 1.438 1
1 822 . 16 1 1 A 71 71 VAL CB C 70 31.500 31.526 -0.026 1
1 825 . 16 1 1 A 71 71 VAL N N 70 120.300 116.192 4.108 1
1 826 . 16 1 1 A 72 72 GLU H H 71 8.690 8.929 -0.239 1
1 827 . 16 1 1 A 72 72 GLU HA H 71 3.800 3.947 -0.147 1
1 832 . 16 1 1 A 72 72 GLU C C 71 178.000 178.885 -0.885 1
1 833 . 16 1 1 A 72 72 GLU CA C 71 60.400 60.103 0.297 1
1 834 . 16 1 1 A 72 72 GLU CB C 71 29.200 29.197 0.003 1
1 836 . 16 1 1 A 72 72 GLU N N 71 119.300 122.062 -2.762 1
1 837 . 16 1 1 A 73 73 ASN H H 72 8.460 7.883 0.577 1
1 838 . 16 1 1 A 73 73 ASN HA H 72 4.440 4.485 -0.045 1
1 843 . 16 1 1 A 73 73 ASN C C 72 177.600 177.231 0.369 1
1 844 . 16 1 1 A 73 73 ASN CA C 72 56.200 56.270 -0.070 1
1 845 . 16 1 1 A 73 73 ASN CB C 72 37.600 38.937 -1.337 1
1 846 . 16 1 1 A 73 73 ASN N N 72 115.900 118.390 -2.490 1
1 848 . 16 1 1 A 74 74 TYR H H 73 7.940 8.378 -0.438 1
1 849 . 16 1 1 A 74 74 TYR HA H 73 4.200 4.136 0.064 1
1 856 . 16 1 1 A 74 74 TYR C C 73 177.600 176.841 0.759 1
1 857 . 16 1 1 A 74 74 TYR CA C 73 61.500 61.470 0.030 1
1 858 . 16 1 1 A 74 74 TYR CB C 73 38.400 38.599 -0.199 1
1 863 . 16 1 1 A 74 74 TYR N N 73 122.400 120.598 1.802 1
1 864 . 16 1 1 A 75 75 LEU H H 74 8.410 8.686 -0.276 1
1 865 . 16 1 1 A 75 75 LEU HA H 74 3.930 4.014 -0.084 1
1 875 . 16 1 1 A 75 75 LEU C C 74 178.500 179.275 -0.775 1
1 876 . 16 1 1 A 75 75 LEU CA C 74 58.100 57.878 0.222 1
1 877 . 16 1 1 A 75 75 LEU CB C 74 42.600 41.412 1.188 1
1 881 . 16 1 1 A 75 75 LEU N N 74 119.500 120.426 -0.926 1
1 882 . 16 1 1 A 76 76 ILE H H 75 8.400 7.997 0.403 1
1 883 . 16 1 1 A 76 76 ILE HA H 75 3.570 3.422 0.148 1
1 890 . 16 1 1 A 76 76 ILE C C 75 178.100 177.703 0.397 1
1 891 . 16 1 1 A 76 76 ILE CA C 75 65.200 65.513 -0.313 1
1 892 . 16 1 1 A 76 76 ILE CB C 75 37.800 37.748 0.052 1
1 896 . 16 1 1 A 76 76 ILE N N 75 118.600 119.922 -1.322 1
1 897 . 16 1 1 A 77 77 GLN H H 76 7.830 8.201 -0.371 1
1 898 . 16 1 1 A 77 77 GLN HA H 76 3.920 3.574 0.346 1
1 903 . 16 1 1 A 77 77 GLN C C 76 178.100 178.000 0.100 1
1 904 . 16 1 1 A 77 77 GLN CA C 76 59.100 58.719 0.381 1
1 905 . 16 1 1 A 77 77 GLN CB C 76 28.000 28.749 -0.749 1
1 907 . 16 1 1 A 77 77 GLN N N 76 119.300 118.691 0.609 1
1 908 . 16 1 1 A 78 78 MET H H 77 8.060 8.120 -0.060 1
1 909 . 16 1 1 A 78 78 MET HA H 77 4.040 4.012 0.028 1
1 912 . 16 1 1 A 78 78 MET C C 77 178.700 177.816 0.884 1
1 913 . 16 1 1 A 78 78 MET CA C 77 58.600 58.394 0.206 1
1 914 . 16 1 1 A 78 78 MET CB C 77 33.000 32.172 0.828 1
1 916 . 16 1 1 A 78 78 MET N N 77 117.600 119.306 -1.706 1
1 917 . 16 1 1 A 79 79 ALA H H 78 8.210 8.034 0.176 1
1 918 . 16 1 1 A 79 79 ALA HA H 78 4.190 3.994 0.196 1
1 922 . 16 1 1 A 79 79 ALA C C 78 180.600 179.276 1.324 1
1 923 . 16 1 1 A 79 79 ALA CA C 78 54.100 55.254 -1.154 1
1 924 . 16 1 1 A 79 79 ALA CB C 78 18.400 18.023 0.377 1
1 925 . 16 1 1 A 79 79 ALA N N 78 121.400 121.366 0.034 1
1 926 . 16 1 1 A 80 80 ARG H H 79 8.120 7.959 0.161 1
1 927 . 16 1 1 A 80 80 ARG HA H 79 3.960 3.983 -0.023 1
1 934 . 16 1 1 A 80 80 ARG C C 79 177.900 178.231 -0.331 1
1 935 . 16 1 1 A 80 80 ARG CA C 79 58.800 59.029 -0.229 1
1 936 . 16 1 1 A 80 80 ARG CB C 79 29.900 29.490 0.410 1
1 939 . 16 1 1 A 80 80 ARG N N 79 119.100 118.067 1.033 1
1 940 . 16 1 1 A 81 81 TYR H H 80 7.800 7.537 0.263 1
1 941 . 16 1 1 A 81 81 TYR HA H 80 4.710 4.548 0.162 1
1 948 . 16 1 1 A 81 81 TYR C C 80 176.500 175.996 0.504 1
1 949 . 16 1 1 A 81 81 TYR CA C 80 57.500 57.970 -0.470 1
1 950 . 16 1 1 A 81 81 TYR CB C 80 38.100 38.697 -0.597 1
1 955 . 16 1 1 A 81 81 TYR N N 80 115.900 116.766 -0.866 1
1 956 . 16 1 1 A 82 82 GLY H H 81 7.850 7.662 0.188 1
1 957 . 16 1 1 A 82 82 GLY HA2 H 81 4.030 3.945 0.085 1
1 958 . 16 1 1 A 82 82 GLY HA3 H 81 4.030 3.959 0.071 1
1 959 . 16 1 1 A 82 82 GLY C C 81 174.900 175.247 -0.347 1
1 960 . 16 1 1 A 82 82 GLY CA C 81 46.300 46.296 0.004 1
1 961 . 16 1 1 A 82 82 GLY N N 81 108.500 108.732 -0.232 1
1 962 . 16 1 1 A 83 83 GLN H H 82 8.200 7.713 0.487 1
1 963 . 16 1 1 A 83 83 GLN HA H 82 4.310 4.410 -0.100 1
1 968 . 16 1 1 A 83 83 GLN C C 82 175.500 175.520 -0.020 1
1 969 . 16 1 1 A 83 83 GLN CA C 82 55.700 55.459 0.241 1
1 970 . 16 1 1 A 83 83 GLN CB C 82 29.400 28.466 0.934 1
1 972 . 16 1 1 A 83 83 GLN N N 82 116.900 118.333 -1.433 1
1 973 . 16 1 1 A 84 84 LEU H H 83 7.990 7.609 0.381 1
1 974 . 16 1 1 A 84 84 LEU HA H 83 4.610 4.300 0.310 1
1 984 . 16 1 1 A 84 84 LEU C C 83 176.500 176.030 0.470 1
1 985 . 16 1 1 A 84 84 LEU CA C 83 54.300 54.817 -0.517 1
1 986 . 16 1 1 A 84 84 LEU CB C 83 42.600 42.267 0.333 1
1 990 . 16 1 1 A 84 84 LEU N N 83 121.400 122.389 -0.989 1
1 991 . 16 1 1 A 85 85 SER H H 84 8.630 8.912 -0.282 1
1 992 . 16 1 1 A 85 85 SER HA H 84 4.410 4.538 -0.128 1
1 995 . 16 1 1 A 85 85 SER C C 84 173.700 174.364 -0.664 1
1 996 . 16 1 1 A 85 85 SER CA C 84 59.400 59.906 -0.506 1
1 997 . 16 1 1 A 85 85 SER CB C 84 63.900 64.380 -0.480 1
1 998 . 16 1 1 A 85 85 SER N N 84 118.400 122.699 -4.299 1
1 999 . 16 1 1 A 86 86 GLU H H 85 7.690 7.694 -0.004 1
1 1000 . 16 1 1 A 86 86 GLU HA H 85 4.530 4.804 -0.274 1
1 1005 . 16 1 1 A 86 86 GLU C C 85 175.400 175.628 -0.228 1
1 1006 . 16 1 1 A 86 86 GLU CA C 85 54.900 54.760 0.140 1
1 1007 . 16 1 1 A 86 86 GLU CB C 85 31.200 34.224 -3.024 1
1 1009 . 16 1 1 A 86 86 GLU N N 85 119.400 118.136 1.264 1
1 1010 . 16 1 1 A 87 87 LYS H H 86 8.380 8.474 -0.094 1
1 1011 . 16 1 1 A 87 87 LYS HA H 86 4.230 4.498 -0.268 1
1 1018 . 16 1 1 A 87 87 LYS C C 86 176.900 176.766 0.134 1
1 1019 . 16 1 1 A 87 87 LYS CA C 86 57.000 57.280 -0.280 1
1 1020 . 16 1 1 A 87 87 LYS CB C 86 33.300 32.620 0.680 1
1 1024 . 16 1 1 A 87 87 LYS N N 86 120.400 120.757 -0.357 1
1 1025 . 16 1 1 A 88 88 VAL H H 87 8.960 9.304 -0.344 1
1 1026 . 16 1 1 A 88 88 VAL HA H 87 3.970 4.201 -0.231 1
1 1034 . 16 1 1 A 88 88 VAL C C 87 174.700 175.664 -0.964 1
1 1035 . 16 1 1 A 88 88 VAL CA C 87 63.300 62.733 0.567 1
1 1036 . 16 1 1 A 88 88 VAL CB C 87 32.400 31.977 0.423 1
1 1038 . 16 1 1 A 88 88 VAL N N 87 125.200 124.450 0.750 1
1 1039 . 16 1 1 A 89 89 SER H H 88 8.190 8.881 -0.691 1
1 1040 . 16 1 1 A 89 89 SER HA H 88 4.990 4.552 0.438 1
1 1043 . 16 1 1 A 89 89 SER C C 88 175.700 175.585 0.115 1
1 1044 . 16 1 1 A 89 89 SER CA C 88 56.200 58.092 -1.892 1
1 1045 . 16 1 1 A 89 89 SER CB C 88 66.600 64.427 2.173 1
1 1046 . 16 1 1 A 89 89 SER N N 88 121.700 123.004 -1.304 1
1 1047 . 16 1 1 A 90 90 GLU H H 89 9.230 8.994 0.236 1
1 1048 . 16 1 1 A 90 90 GLU HA H 89 3.720 4.013 -0.293 1
1 1053 . 16 1 1 A 90 90 GLU C C 89 177.700 178.536 -0.836 1
1 1054 . 16 1 1 A 90 90 GLU CA C 89 61.200 59.562 1.638 1
1 1055 . 16 1 1 A 90 90 GLU CB C 89 29.100 29.421 -0.321 1
1 1057 . 16 1 1 A 90 90 GLU N N 89 121.600 123.944 -2.344 1
1 1058 . 16 1 1 A 91 91 GLN H H 90 8.430 8.345 0.085 1
1 1059 . 16 1 1 A 91 91 GLN HA H 90 4.040 4.091 -0.051 1
1 1066 . 16 1 1 A 91 91 GLN C C 90 178.900 178.458 0.442 1
1 1067 . 16 1 1 A 91 91 GLN CA C 90 59.100 58.200 0.900 1
1 1068 . 16 1 1 A 91 91 GLN CB C 90 27.800 27.689 0.111 1
1 1070 . 16 1 1 A 91 91 GLN N N 90 117.100 117.363 -0.263 1
1 1072 . 16 1 1 A 92 92 GLY H H 91 8.080 8.044 0.036 1
1 1073 . 16 1 1 A 92 92 GLY HA2 H 91 3.890 3.561 0.329 1
1 1074 . 16 1 1 A 92 92 GLY HA3 H 91 3.890 3.566 0.324 1
1 1075 . 16 1 1 A 92 92 GLY C C 91 176.600 175.907 0.693 1
1 1076 . 16 1 1 A 92 92 GLY CA C 91 46.900 47.312 -0.412 1
1 1077 . 16 1 1 A 92 92 GLY N N 91 109.400 108.659 0.741 1
1 1078 . 16 1 1 A 93 93 LEU H H 92 8.610 8.084 0.526 1
1 1079 . 16 1 1 A 93 93 LEU HA H 92 4.000 4.132 -0.132 1
1 1089 . 16 1 1 A 93 93 LEU C C 92 178.000 178.225 -0.225 1
1 1090 . 16 1 1 A 93 93 LEU CA C 92 57.500 57.200 0.300 1
1 1091 . 16 1 1 A 93 93 LEU CB C 92 41.800 41.452 0.348 1
1 1095 . 16 1 1 A 93 93 LEU N N 92 123.700 122.327 1.373 1
1 1096 . 16 1 1 A 94 94 ILE H H 93 7.970 8.185 -0.215 1
1 1097 . 16 1 1 A 94 94 ILE HA H 93 3.640 3.515 0.125 1
1 1107 . 16 1 1 A 94 94 ILE C C 93 178.500 178.105 0.395 1
1 1108 . 16 1 1 A 94 94 ILE CA C 93 64.800 64.959 -0.159 1
1 1109 . 16 1 1 A 94 94 ILE CB C 93 37.100 37.615 -0.515 1
1 1113 . 16 1 1 A 94 94 ILE N N 93 119.900 119.601 0.299 1
1 1114 . 16 1 1 A 95 95 GLU H H 94 7.610 8.127 -0.517 1
1 1115 . 16 1 1 A 95 95 GLU HA H 94 4.090 3.939 0.151 1
1 1120 . 16 1 1 A 95 95 GLU C C 94 179.400 179.267 0.133 1
1 1121 . 16 1 1 A 95 95 GLU CA C 94 59.200 59.290 -0.090 1
1 1122 . 16 1 1 A 95 95 GLU CB C 94 28.800 29.544 -0.744 1
1 1124 . 16 1 1 A 95 95 GLU N N 94 118.800 121.497 -2.697 1
1 1125 . 16 1 1 A 96 96 ILE H H 95 7.840 7.565 0.275 1
1 1126 . 16 1 1 A 96 96 ILE HA H 95 3.520 3.331 0.189 1
1 1136 . 16 1 1 A 96 96 ILE C C 95 177.500 177.933 -0.433 1
1 1137 . 16 1 1 A 96 96 ILE CA C 95 65.500 65.525 -0.025 1
1 1138 . 16 1 1 A 96 96 ILE CB C 95 37.900 37.516 0.384 1
1 1142 . 16 1 1 A 96 96 ILE N N 95 121.600 120.090 1.510 1
1 1143 . 16 1 1 A 97 97 LEU H H 96 8.620 8.503 0.117 1
1 1144 . 16 1 1 A 97 97 LEU HA H 96 3.800 3.917 -0.117 1
1 1151 . 16 1 1 A 97 97 LEU C C 96 179.400 178.600 0.800 1
1 1152 . 16 1 1 A 97 97 LEU CA C 96 58.600 58.309 0.291 1
1 1153 . 16 1 1 A 97 97 LEU CB C 96 41.500 41.717 -0.217 1
1 1156 . 16 1 1 A 97 97 LEU N N 96 120.400 121.023 -0.623 1
1 1157 . 16 1 1 A 98 98 LYS H H 97 7.750 8.241 -0.491 1
1 1158 . 16 1 1 A 98 98 LYS HA H 97 3.990 3.897 0.093 1
1 1167 . 16 1 1 A 98 98 LYS C C 97 178.600 179.405 -0.805 1
1 1168 . 16 1 1 A 98 98 LYS CA C 97 59.400 60.205 -0.805 1
1 1169 . 16 1 1 A 98 98 LYS CB C 97 32.300 31.908 0.392 1
1 1172 . 16 1 1 A 98 98 LYS N N 97 119.000 119.543 -0.543 1
1 1173 . 16 1 1 A 99 99 LYS H H 98 7.710 7.217 0.493 1
1 1174 . 16 1 1 A 99 99 LYS HA H 98 4.110 3.998 0.112 1
1 1183 . 16 1 1 A 99 99 LYS C C 98 179.100 179.850 -0.750 1
1 1184 . 16 1 1 A 99 99 LYS CA C 98 59.100 59.286 -0.186 1
1 1185 . 16 1 1 A 99 99 LYS CB C 98 32.500 32.279 0.221 1
1 1189 . 16 1 1 A 99 99 LYS N N 98 119.500 119.549 -0.049 1
1 1190 . 16 1 1 A 100 100 VAL H H 99 8.210 8.001 0.209 1
1 1191 . 16 1 1 A 100 100 VAL HA H 99 3.920 3.841 0.079 1
1 1196 . 16 1 1 A 100 100 VAL C C 99 177.600 177.826 -0.226 1
1 1197 . 16 1 1 A 100 100 VAL CA C 99 64.200 65.263 -1.063 1
1 1198 . 16 1 1 A 100 100 VAL CB C 99 31.500 31.247 0.253 1
1 1200 . 16 1 1 A 100 100 VAL N N 99 115.800 115.614 0.186 1
1 1201 . 16 1 1 A 101 101 SER H H 100 7.900 7.927 -0.027 1
1 1202 . 16 1 1 A 101 101 SER HA H 100 4.340 4.177 0.163 1
1 1205 . 16 1 1 A 101 101 SER C C 100 174.600 175.886 -1.286 1
1 1206 . 16 1 1 A 101 101 SER CA C 100 60.400 60.874 -0.474 1
1 1207 . 16 1 1 A 101 101 SER CB C 100 63.600 63.107 0.493 1
1 1208 . 16 1 1 A 101 101 SER N N 100 116.500 117.245 -0.745 1
1 1209 . 16 1 1 A 102 102 GLN H H 101 7.860 7.791 0.069 1
1 1210 . 16 1 1 A 102 102 GLN HA H 101 4.280 4.406 -0.126 1
1 1215 . 16 1 1 A 102 102 GLN C C 101 176.400 176.867 -0.467 1
1 1216 . 16 1 1 A 102 102 GLN CA C 101 56.800 57.436 -0.636 1
1 1217 . 16 1 1 A 102 102 GLN CB C 101 28.900 29.786 -0.886 1
1 1219 . 16 1 1 A 102 102 GLN N N 101 120.100 118.847 1.253 1
1 1220 . 16 1 1 A 103 103 GLN H H 102 8.080 8.481 -0.401 1
1 1221 . 16 1 1 A 103 103 GLN HA H 102 4.360 4.630 -0.270 1
1 1226 . 16 1 1 A 103 103 GLN C C 102 176.500 176.832 -0.332 1
1 1227 . 16 1 1 A 103 103 GLN CA C 102 56.700 56.359 0.341 1
1 1228 . 16 1 1 A 103 103 GLN CB C 102 29.000 30.325 -1.325 1
1 1230 . 16 1 1 A 103 103 GLN N N 102 119.700 115.147 4.553 1
1 1231 . 16 1 1 A 104 104 THR H H 103 8.070 7.707 0.363 1
1 1232 . 16 1 1 A 104 104 THR HA H 103 4.350 4.601 -0.251 1
1 1237 . 16 1 1 A 104 104 THR C C 103 174.700 174.774 -0.074 1
1 1238 . 16 1 1 A 104 104 THR CA C 103 62.500 63.543 -1.043 1
1 1239 . 16 1 1 A 104 104 THR CB C 103 69.800 71.159 -1.359 1
1 1241 . 16 1 1 A 104 104 THR N N 103 113.900 109.947 3.953 1
1 1242 . 16 1 1 A 105 105 GLU H H 104 8.290 7.655 0.635 1
1 1243 . 16 1 1 A 105 105 GLU HA H 104 4.350 4.739 -0.389 1
1 1248 . 16 1 1 A 105 105 GLU C C 104 176.300 174.202 2.098 1
1 1249 . 16 1 1 A 105 105 GLU CA C 104 56.700 56.421 0.279 1
1 1250 . 16 1 1 A 105 105 GLU CB C 104 29.900 33.290 -3.390 1
1 1252 . 16 1 1 A 105 105 GLU N N 104 122.900 115.573 7.327 1
1 1253 . 16 1 1 A 106 106 LYS H H 105 8.320 9.025 -0.705 1
1 1254 . 16 1 1 A 106 106 LYS HA H 105 4.390 4.858 -0.468 1
1 1263 . 16 1 1 A 106 106 LYS C C 105 176.800 176.540 0.260 1
1 1264 . 16 1 1 A 106 106 LYS CA C 105 56.700 55.110 1.590 1
1 1265 . 16 1 1 A 106 106 LYS CB C 105 32.800 33.407 -0.607 1
1 1269 . 16 1 1 A 106 106 LYS N N 105 121.900 127.347 -5.447 1
1 1270 . 16 1 1 A 107 107 THR H H 106 8.150 8.562 -0.412 1
1 1271 . 16 1 1 A 107 107 THR HA H 106 4.430 4.186 0.244 1
1 1276 . 16 1 1 A 107 107 THR C C 106 174.600 176.630 -2.030 1
1 1277 . 16 1 1 A 107 107 THR CA C 106 62.000 64.299 -2.299 1
1 1278 . 16 1 1 A 107 107 THR CB C 106 70.000 68.963 1.037 1
1 1280 . 16 1 1 A 107 107 THR N N 106 115.000 116.182 -1.182 1
1 1281 . 16 1 1 A 108 108 THR H H 107 8.190 8.102 0.088 1
1 1282 . 16 1 1 A 108 108 THR HA H 107 4.440 4.132 0.308 1
1 1287 . 16 1 1 A 108 108 THR C C 107 174.500 174.972 -0.472 1
1 1288 . 16 1 1 A 108 108 THR CA C 107 62.000 65.876 -3.876 1
1 1289 . 16 1 1 A 108 108 THR CB C 107 69.800 69.213 0.587 1
1 1291 . 16 1 1 A 108 108 THR N N 107 116.500 115.595 0.905 1
1 1292 . 16 1 1 A 109 109 THR H H 108 8.170 7.741 0.429 1
1 1293 . 16 1 1 A 109 109 THR HA H 108 4.350 4.440 -0.090 1
1 1298 . 16 1 1 A 109 109 THR C C 108 174.200 174.701 -0.501 1
1 1299 . 16 1 1 A 109 109 THR CA C 108 62.000 62.878 -0.878 1
1 1300 . 16 1 1 A 109 109 THR CB C 108 69.800 68.134 1.666 1
1 1302 . 16 1 1 A 109 109 THR N N 108 117.200 114.056 3.144 1
1 1303 . 16 1 1 A 110 110 VAL H H 109 8.100 8.573 -0.473 1
1 1304 . 16 1 1 A 110 110 VAL HA H 109 4.040 4.393 -0.353 1
1 1312 . 16 1 1 A 110 110 VAL C C 109 175.200 175.938 -0.738 1
1 1313 . 16 1 1 A 110 110 VAL CA C 109 62.300 61.497 0.803 1
1 1314 . 16 1 1 A 110 110 VAL CB C 109 32.600 32.066 0.534 1
1 1316 . 16 1 1 A 110 110 VAL N N 109 123.100 122.026 1.074 1
1 1317 . 16 1 1 A 111 111 LYS H H 110 8.200 7.767 0.433 1
1 1318 . 16 1 1 A 111 111 LYS HA H 110 4.310 4.321 -0.011 1
1 1327 . 16 1 1 A 111 111 LYS C C 110 175.700 176.726 -1.026 1
1 1328 . 16 1 1 A 111 111 LYS CA C 110 55.700 55.840 -0.140 1
1 1329 . 16 1 1 A 111 111 LYS CB C 110 33.300 31.747 1.553 1
1 1333 . 16 1 1 A 111 111 LYS N N 110 125.200 123.394 1.806 1
1 1334 . 16 1 1 A 112 112 PHE H H 111 8.310 8.868 -0.558 1
1 1335 . 16 1 1 A 112 112 PHE HA H 111 4.650 4.530 0.120 1
1 1338 . 16 1 1 A 112 112 PHE C C 111 174.500 175.094 -0.594 1
1 1339 . 16 1 1 A 112 112 PHE CA C 111 57.500 59.701 -2.201 1
1 1340 . 16 1 1 A 112 112 PHE CB C 111 39.700 40.699 -0.999 1
1 1341 . 16 1 1 A 112 112 PHE N N 111 122.100 127.153 -5.053 1
1 1 . 17 1 1 A 2 2 SER H H 1 8.780 8.535 0.245 1
1 2 . 17 1 1 A 2 2 SER HA H 1 4.480 5.028 -0.548 1
1 5 . 17 1 1 A 2 2 SER C C 1 175.000 174.773 0.227 1
1 6 . 17 1 1 A 2 2 SER CA C 1 59.100 58.161 0.939 1
1 7 . 17 1 1 A 2 2 SER CB C 1 63.900 62.989 0.911 1
1 8 . 17 1 1 A 2 2 SER N N 1 116.600 115.495 1.105 1
1 9 . 17 1 1 A 3 3 ALA H H 2 8.710 7.897 0.813 1
1 10 . 17 1 1 A 3 3 ALA HA H 2 4.310 4.000 0.310 1
1 14 . 17 1 1 A 3 3 ALA C C 2 178.800 179.328 -0.528 1
1 15 . 17 1 1 A 3 3 ALA CA C 2 53.800 55.302 -1.502 1
1 16 . 17 1 1 A 3 3 ALA CB C 2 18.500 18.639 -0.139 1
1 17 . 17 1 1 A 3 3 ALA N N 2 125.500 124.406 1.094 1
1 18 . 17 1 1 A 4 4 ASP H H 3 8.190 8.061 0.129 1
1 19 . 17 1 1 A 4 4 ASP HA H 3 4.500 4.296 0.204 1
1 22 . 17 1 1 A 4 4 ASP C C 3 177.700 178.306 -0.606 1
1 23 . 17 1 1 A 4 4 ASP CA C 3 55.900 57.141 -1.241 1
1 24 . 17 1 1 A 4 4 ASP CB C 3 40.500 40.998 -0.498 1
1 25 . 17 1 1 A 4 4 ASP N N 3 117.800 118.750 -0.950 1
1 26 . 17 1 1 A 5 5 GLU H H 4 8.150 8.178 -0.028 1
1 27 . 17 1 1 A 5 5 GLU HA H 4 4.140 3.994 0.146 1
1 32 . 17 1 1 A 5 5 GLU C C 4 178.600 178.593 0.007 1
1 33 . 17 1 1 A 5 5 GLU CA C 4 58.600 59.667 -1.067 1
1 34 . 17 1 1 A 5 5 GLU CB C 4 29.100 29.116 -0.016 1
1 36 . 17 1 1 A 5 5 GLU N N 4 120.800 118.601 2.199 1
1 37 . 17 1 1 A 6 6 GLU H H 5 8.250 8.851 -0.601 1
1 38 . 17 1 1 A 6 6 GLU HA H 5 4.200 4.093 0.107 1
1 43 . 17 1 1 A 6 6 GLU C C 5 178.300 178.716 -0.416 1
1 44 . 17 1 1 A 6 6 GLU CA C 5 58.600 59.181 -0.581 1
1 45 . 17 1 1 A 6 6 GLU CB C 5 28.800 29.110 -0.310 1
1 47 . 17 1 1 A 6 6 GLU N N 5 120.800 118.369 2.431 1
1 48 . 17 1 1 A 7 7 LEU H H 6 7.990 7.929 0.061 1
1 49 . 17 1 1 A 7 7 LEU HA H 6 4.170 4.128 0.042 1
1 58 . 17 1 1 A 7 7 LEU C C 6 179.500 178.221 1.279 1
1 59 . 17 1 1 A 7 7 LEU CA C 6 57.500 57.423 0.077 1
1 60 . 17 1 1 A 7 7 LEU CB C 6 41.600 41.688 -0.088 1
1 64 . 17 1 1 A 7 7 LEU N N 6 120.900 122.865 -1.965 1
1 65 . 17 1 1 A 8 8 GLU H H 7 8.130 8.685 -0.555 1
1 66 . 17 1 1 A 8 8 GLU HA H 7 4.160 4.008 0.152 1
1 71 . 17 1 1 A 8 8 GLU C C 7 178.300 178.348 -0.048 1
1 72 . 17 1 1 A 8 8 GLU CA C 7 58.800 59.677 -0.877 1
1 73 . 17 1 1 A 8 8 GLU CB C 7 28.800 29.470 -0.670 1
1 75 . 17 1 1 A 8 8 GLU N N 7 120.100 119.200 0.900 1
1 76 . 17 1 1 A 9 9 ALA H H 8 8.030 8.510 -0.480 1
1 77 . 17 1 1 A 9 9 ALA HA H 8 4.090 4.093 -0.003 1
1 81 . 17 1 1 A 9 9 ALA C C 8 180.500 180.247 0.253 1
1 82 . 17 1 1 A 9 9 ALA CA C 8 55.100 55.201 -0.101 1
1 83 . 17 1 1 A 9 9 ALA CB C 8 17.900 18.059 -0.159 1
1 84 . 17 1 1 A 9 9 ALA N N 8 122.100 122.629 -0.529 1
1 85 . 17 1 1 A 10 10 LEU H H 9 7.890 7.971 -0.081 1
1 86 . 17 1 1 A 10 10 LEU HA H 9 4.160 4.126 0.034 1
1 95 . 17 1 1 A 10 10 LEU C C 9 179.200 178.809 0.391 1
1 96 . 17 1 1 A 10 10 LEU CA C 9 57.500 57.804 -0.304 1
1 97 . 17 1 1 A 10 10 LEU CB C 9 41.800 41.559 0.241 1
1 101 . 17 1 1 A 10 10 LEU N N 9 119.500 120.168 -0.668 1
1 102 . 17 1 1 A 11 11 ARG H H 10 8.080 8.335 -0.255 1
1 103 . 17 1 1 A 11 11 ARG HA H 10 4.010 3.965 0.045 1
1 110 . 17 1 1 A 11 11 ARG C C 10 178.900 179.340 -0.440 1
1 111 . 17 1 1 A 11 11 ARG CA C 10 59.400 59.711 -0.311 1
1 112 . 17 1 1 A 11 11 ARG CB C 10 30.100 30.172 -0.072 1
1 115 . 17 1 1 A 11 11 ARG N N 10 120.400 118.712 1.688 1
1 116 . 17 1 1 A 12 12 ARG H H 11 8.170 8.490 -0.320 1
1 117 . 17 1 1 A 12 12 ARG HA H 11 4.040 4.110 -0.070 1
1 124 . 17 1 1 A 12 12 ARG C C 11 178.900 178.814 0.086 1
1 125 . 17 1 1 A 12 12 ARG CA C 11 59.300 59.622 -0.322 1
1 126 . 17 1 1 A 12 12 ARG CB C 11 30.000 29.939 0.061 1
1 129 . 17 1 1 A 12 12 ARG N N 11 118.400 119.432 -1.032 1
1 130 . 17 1 1 A 13 13 GLN H H 12 8.060 8.143 -0.083 1
1 131 . 17 1 1 A 13 13 GLN HA H 12 4.150 4.012 0.138 1
1 136 . 17 1 1 A 13 13 GLN C C 12 177.900 178.580 -0.680 1
1 137 . 17 1 1 A 13 13 GLN CA C 12 58.600 59.161 -0.561 1
1 138 . 17 1 1 A 13 13 GLN CB C 12 28.500 28.403 0.097 1
1 140 . 17 1 1 A 13 13 GLN N N 12 120.400 119.376 1.024 1
1 141 . 17 1 1 A 14 14 ARG H H 13 8.180 8.080 0.100 1
1 142 . 17 1 1 A 14 14 ARG HA H 13 4.160 4.145 0.015 1
1 149 . 17 1 1 A 14 14 ARG C C 13 178.600 178.466 0.134 1
1 150 . 17 1 1 A 14 14 ARG CA C 13 58.600 58.553 0.047 1
1 151 . 17 1 1 A 14 14 ARG CB C 13 29.900 30.025 -0.125 1
1 154 . 17 1 1 A 14 14 ARG N N 13 119.900 120.365 -0.465 1
1 155 . 17 1 1 A 15 15 LEU H H 14 7.980 8.147 -0.167 1
1 156 . 17 1 1 A 15 15 LEU HA H 14 4.180 4.104 0.076 1
1 165 . 17 1 1 A 15 15 LEU C C 14 178.800 178.376 0.424 1
1 166 . 17 1 1 A 15 15 LEU CA C 14 57.300 57.762 -0.462 1
1 167 . 17 1 1 A 15 15 LEU CB C 14 41.700 41.309 0.391 1
1 171 . 17 1 1 A 15 15 LEU N N 14 119.900 121.070 -1.170 1
1 172 . 17 1 1 A 16 16 ALA H H 15 7.930 7.895 0.035 1
1 173 . 17 1 1 A 16 16 ALA HA H 15 4.190 4.092 0.098 1
1 177 . 17 1 1 A 16 16 ALA C C 15 180.100 179.694 0.406 1
1 178 . 17 1 1 A 16 16 ALA CA C 15 54.500 55.227 -0.727 1
1 179 . 17 1 1 A 16 16 ALA CB C 15 18.000 17.907 0.093 1
1 180 . 17 1 1 A 16 16 ALA N N 15 122.000 120.533 1.467 1
1 181 . 17 1 1 A 17 17 GLU H H 16 8.010 7.870 0.140 1
1 182 . 17 1 1 A 17 17 GLU HA H 16 4.160 4.022 0.138 1
1 187 . 17 1 1 A 17 17 GLU C C 16 178.100 179.146 -1.046 1
1 188 . 17 1 1 A 17 17 GLU CA C 16 58.100 58.827 -0.727 1
1 189 . 17 1 1 A 17 17 GLU CB C 16 28.900 29.341 -0.441 1
1 191 . 17 1 1 A 17 17 GLU N N 16 118.500 118.270 0.230 1
1 192 . 17 1 1 A 18 18 LEU H H 17 7.890 7.819 0.071 1
1 193 . 17 1 1 A 18 18 LEU HA H 17 4.200 4.219 -0.019 1
1 203 . 17 1 1 A 18 18 LEU C C 17 178.700 176.688 2.012 1
1 204 . 17 1 1 A 18 18 LEU CA C 17 56.900 57.096 -0.196 1
1 205 . 17 1 1 A 18 18 LEU CB C 17 42.100 42.546 -0.446 1
1 209 . 17 1 1 A 18 18 LEU N N 17 120.400 121.125 -0.725 1
1 210 . 17 1 1 A 19 19 GLN H H 18 8.020 8.032 -0.012 1
1 211 . 17 1 1 A 19 19 GLN HA H 18 4.200 3.903 0.297 1
1 216 . 17 1 1 A 19 19 GLN C C 18 176.700 174.243 2.457 1
1 217 . 17 1 1 A 19 19 GLN CA C 18 56.900 57.312 -0.412 1
1 218 . 17 1 1 A 19 19 GLN CB C 18 28.800 28.260 0.540 1
1 220 . 17 1 1 A 19 19 GLN N N 18 118.500 118.669 -0.169 1
1 221 . 17 1 1 A 20 20 ALA H H 19 7.850 7.495 0.355 1
1 222 . 17 1 1 A 20 20 ALA HA H 19 4.240 4.852 -0.612 1
1 226 . 17 1 1 A 20 20 ALA C C 19 178.000 175.952 2.048 1
1 227 . 17 1 1 A 20 20 ALA CA C 19 53.100 50.687 2.413 1
1 228 . 17 1 1 A 20 20 ALA CB C 19 18.700 22.516 -3.816 1
1 229 . 17 1 1 A 20 20 ALA N N 19 122.700 120.382 2.318 1
1 230 . 17 1 1 A 21 21 LYS H H 20 7.950 8.364 -0.414 1
1 231 . 17 1 1 A 21 21 LYS HA H 20 4.260 4.400 -0.140 1
1 238 . 17 1 1 A 21 21 LYS C C 20 176.600 175.514 1.086 1
1 239 . 17 1 1 A 21 21 LYS CA C 20 56.500 56.035 0.465 1
1 240 . 17 1 1 A 21 21 LYS CB C 20 32.600 31.743 0.857 1
1 244 . 17 1 1 A 21 21 LYS N N 20 118.800 122.183 -3.383 1
1 245 . 17 1 1 A 22 22 HIS H H 21 8.320 8.069 0.251 1
1 246 . 17 1 1 A 22 22 HIS HA H 21 4.730 4.884 -0.154 1
1 249 . 17 1 1 A 22 22 HIS C C 21 174.800 175.183 -0.383 1
1 250 . 17 1 1 A 22 22 HIS CA C 21 55.400 54.524 0.876 1
1 251 . 17 1 1 A 22 22 HIS CB C 21 28.800 30.585 -1.785 1
1 252 . 17 1 1 A 22 22 HIS N N 21 118.600 125.609 -7.009 1
1 253 . 17 1 1 A 23 23 GLY H H 22 8.360 8.691 -0.331 1
1 254 . 17 1 1 A 23 23 GLY HA2 H 22 3.960 3.760 0.200 1
1 255 . 17 1 1 A 23 23 GLY HA3 H 22 3.960 3.791 0.169 1
1 256 . 17 1 1 A 23 23 GLY C C 22 173.200 174.649 -1.449 1
1 257 . 17 1 1 A 23 23 GLY CA C 22 45.000 47.569 -2.569 1
1 258 . 17 1 1 A 23 23 GLY N N 22 109.600 113.264 -3.664 1
1 259 . 17 1 1 A 24 24 ASP H H 23 8.320 7.639 0.681 1
1 260 . 17 1 1 A 24 24 ASP HA H 23 4.940 4.827 0.113 1
1 263 . 17 1 1 A 24 24 ASP C C 23 174.900 176.128 -1.228 1
1 264 . 17 1 1 A 24 24 ASP CA C 23 52.200 52.066 0.134 1
1 265 . 17 1 1 A 24 24 ASP CB C 23 41.300 41.874 -0.574 1
1 266 . 17 1 1 A 24 24 ASP N N 23 121.600 121.387 0.213 1
1 267 . 17 1 1 A 25 25 PRO HA H 24 4.430 4.708 -0.278 1
1 274 . 17 1 1 A 25 25 PRO C C 24 177.800 176.711 1.089 1
1 275 . 17 1 1 A 25 25 PRO CA C 24 64.100 63.834 0.266 1
1 276 . 17 1 1 A 25 25 PRO CB C 24 31.900 32.884 -0.984 1
1 279 . 17 1 1 A 26 26 GLY H H 25 8.520 8.146 0.374 1
1 280 . 17 1 1 A 26 26 GLY HA2 H 25 3.940 3.952 -0.012 1
1 281 . 17 1 1 A 26 26 GLY HA3 H 25 3.940 3.962 -0.022 1
1 282 . 17 1 1 A 26 26 GLY C C 25 174.400 174.394 0.006 1
1 283 . 17 1 1 A 26 26 GLY CA C 25 45.500 46.028 -0.528 1
1 284 . 17 1 1 A 26 26 GLY N N 25 108.300 107.849 0.451 1
1 285 . 17 1 1 A 27 27 ASP H H 26 8.100 8.301 -0.201 1
1 286 . 17 1 1 A 27 27 ASP HA H 26 4.610 4.536 0.074 1
1 289 . 17 1 1 A 27 27 ASP C C 26 176.900 176.791 0.109 1
1 290 . 17 1 1 A 27 27 ASP CA C 26 54.800 55.748 -0.948 1
1 291 . 17 1 1 A 27 27 ASP CB C 26 40.800 40.615 0.185 1
1 292 . 17 1 1 A 27 27 ASP N N 26 120.700 118.143 2.557 1
1 293 . 17 1 1 A 28 28 ALA H H 27 8.320 8.436 -0.116 1
1 294 . 17 1 1 A 28 28 ALA HA H 27 4.180 4.020 0.160 1
1 298 . 17 1 1 A 28 28 ALA C C 27 179.300 179.301 -0.001 1
1 299 . 17 1 1 A 28 28 ALA CA C 27 54.600 54.669 -0.069 1
1 300 . 17 1 1 A 28 28 ALA CB C 27 18.400 18.453 -0.053 1
1 301 . 17 1 1 A 28 28 ALA N N 27 124.100 121.213 2.887 1
1 302 . 17 1 1 A 29 29 ALA H H 28 8.250 7.999 0.251 1
1 303 . 17 1 1 A 29 29 ALA HA H 28 4.230 2.799 1.431 1
1 307 . 17 1 1 A 29 29 ALA C C 28 180.000 179.536 0.464 1
1 308 . 17 1 1 A 29 29 ALA CA C 28 54.300 54.782 -0.482 1
1 309 . 17 1 1 A 29 29 ALA CB C 28 18.200 18.537 -0.337 1
1 310 . 17 1 1 A 29 29 ALA N N 28 121.200 119.501 1.699 1
1 311 . 17 1 1 A 30 30 GLN H H 29 8.120 8.128 -0.008 1
1 312 . 17 1 1 A 30 30 GLN HA H 29 4.230 4.039 0.191 1
1 317 . 17 1 1 A 30 30 GLN C C 29 177.900 178.593 -0.693 1
1 318 . 17 1 1 A 30 30 GLN CA C 29 57.800 58.327 -0.527 1
1 319 . 17 1 1 A 30 30 GLN CB C 29 28.600 27.888 0.712 1
1 321 . 17 1 1 A 30 30 GLN N N 29 118.800 115.649 3.151 1
1 322 . 17 1 1 A 31 31 GLN H H 30 8.240 8.072 0.168 1
1 323 . 17 1 1 A 31 31 GLN HA H 30 4.120 4.007 0.113 1
1 328 . 17 1 1 A 31 31 GLN C C 30 178.100 178.276 -0.176 1
1 329 . 17 1 1 A 31 31 GLN CA C 30 58.000 59.090 -1.090 1
1 330 . 17 1 1 A 31 31 GLN CB C 30 28.500 28.403 0.097 1
1 332 . 17 1 1 A 31 31 GLN N N 30 119.600 119.993 -0.393 1
1 333 . 17 1 1 A 32 32 GLU H H 31 8.300 7.775 0.525 1
1 334 . 17 1 1 A 32 32 GLU HA H 31 4.190 4.120 0.070 1
1 339 . 17 1 1 A 32 32 GLU C C 31 178.100 178.887 -0.787 1
1 340 . 17 1 1 A 32 32 GLU CA C 31 58.600 58.998 -0.398 1
1 341 . 17 1 1 A 32 32 GLU CB C 31 28.800 29.169 -0.369 1
1 343 . 17 1 1 A 32 32 GLU N N 31 120.800 119.350 1.450 1
1 344 . 17 1 1 A 33 33 ALA H H 32 8.070 7.794 0.276 1
1 345 . 17 1 1 A 33 33 ALA HA H 32 4.160 4.019 0.141 1
1 349 . 17 1 1 A 33 33 ALA C C 32 179.900 179.375 0.525 1
1 350 . 17 1 1 A 33 33 ALA CA C 32 54.900 55.389 -0.489 1
1 351 . 17 1 1 A 33 33 ALA CB C 32 18.200 18.268 -0.068 1
1 352 . 17 1 1 A 33 33 ALA N N 32 123.000 122.412 0.588 1
1 353 . 17 1 1 A 34 34 LYS H H 33 8.050 7.745 0.305 1
1 354 . 17 1 1 A 34 34 LYS HA H 33 4.150 4.283 -0.133 1
1 363 . 17 1 1 A 34 34 LYS C C 33 178.900 178.921 -0.021 1
1 364 . 17 1 1 A 34 34 LYS CA C 33 58.600 59.019 -0.419 1
1 365 . 17 1 1 A 34 34 LYS CB C 33 32.300 31.866 0.434 1
1 369 . 17 1 1 A 34 34 LYS N N 33 118.600 118.938 -0.338 1
1 370 . 17 1 1 A 35 35 HIS H H 34 8.240 8.522 -0.282 1
1 371 . 17 1 1 A 35 35 HIS HA H 34 4.580 4.215 0.365 1
1 374 . 17 1 1 A 35 35 HIS C C 34 176.300 177.640 -1.340 1
1 375 . 17 1 1 A 35 35 HIS CA C 34 57.800 60.035 -2.235 1
1 376 . 17 1 1 A 35 35 HIS CB C 34 28.300 29.508 -1.208 1
1 377 . 17 1 1 A 35 35 HIS N N 34 119.100 119.404 -0.304 1
1 378 . 17 1 1 A 36 36 ARG H H 35 8.390 8.309 0.081 1
1 379 . 17 1 1 A 36 36 ARG HA H 35 4.160 4.087 0.073 1
1 386 . 17 1 1 A 36 36 ARG C C 35 178.500 178.504 -0.004 1
1 387 . 17 1 1 A 36 36 ARG CA C 35 58.800 58.630 0.170 1
1 388 . 17 1 1 A 36 36 ARG CB C 35 29.200 29.773 -0.573 1
1 391 . 17 1 1 A 36 36 ARG N N 35 120.600 118.250 2.350 1
1 392 . 17 1 1 A 37 37 GLU H H 36 8.240 8.187 0.053 1
1 393 . 17 1 1 A 37 37 GLU HA H 36 4.080 4.060 0.020 1
1 398 . 17 1 1 A 37 37 GLU C C 36 178.200 178.956 -0.756 1
1 399 . 17 1 1 A 37 37 GLU CA C 36 59.100 59.202 -0.102 1
1 400 . 17 1 1 A 37 37 GLU CB C 36 29.100 29.807 -0.707 1
1 402 . 17 1 1 A 37 37 GLU N N 36 120.400 119.107 1.293 1
1 403 . 17 1 1 A 38 38 ALA H H 37 7.980 8.428 -0.448 1
1 404 . 17 1 1 A 38 38 ALA HA H 37 4.100 4.025 0.075 1
1 408 . 17 1 1 A 38 38 ALA C C 37 179.800 178.755 1.045 1
1 409 . 17 1 1 A 38 38 ALA CA C 37 55.100 55.105 -0.005 1
1 410 . 17 1 1 A 38 38 ALA CB C 37 18.000 18.159 -0.159 1
1 411 . 17 1 1 A 38 38 ALA N N 37 122.000 122.371 -0.371 1
1 412 . 17 1 1 A 39 39 GLU H H 38 8.050 8.519 -0.469 1
1 413 . 17 1 1 A 39 39 GLU HA H 38 4.120 4.056 0.064 1
1 418 . 17 1 1 A 39 39 GLU C C 38 179.000 178.675 0.325 1
1 419 . 17 1 1 A 39 39 GLU CA C 38 58.800 59.274 -0.474 1
1 420 . 17 1 1 A 39 39 GLU CB C 38 29.100 29.292 -0.192 1
1 422 . 17 1 1 A 39 39 GLU N N 38 118.200 118.574 -0.374 1
1 423 . 17 1 1 A 40 40 MET H H 39 8.130 7.875 0.255 1
1 424 . 17 1 1 A 40 40 MET HA H 39 4.200 4.047 0.153 1
1 429 . 17 1 1 A 40 40 MET C C 39 178.200 178.356 -0.156 1
1 430 . 17 1 1 A 40 40 MET CA C 39 58.100 58.564 -0.464 1
1 431 . 17 1 1 A 40 40 MET CB C 39 32.300 31.919 0.381 1
1 433 . 17 1 1 A 40 40 MET N N 39 120.300 119.214 1.086 1
1 434 . 17 1 1 A 41 41 ARG HA H 40 3.890 4.071 -0.181 1
1 441 . 17 1 1 A 41 41 ARG C C 40 177.700 178.654 -0.954 1
1 442 . 17 1 1 A 41 41 ARG CA C 40 59.500 58.608 0.892 1
1 443 . 17 1 1 A 41 41 ARG CB C 40 30.300 29.837 0.463 1
1 444 . 17 1 1 A 42 42 ASN H H 41 8.190 8.596 -0.406 1
1 445 . 17 1 1 A 42 42 ASN HA H 41 4.440 4.528 -0.088 1
1 450 . 17 1 1 A 42 42 ASN C C 41 177.700 177.675 0.025 1
1 451 . 17 1 1 A 42 42 ASN CA C 41 55.900 56.256 -0.356 1
1 452 . 17 1 1 A 42 42 ASN CB C 41 38.100 39.118 -1.018 1
1 453 . 17 1 1 A 42 42 ASN N N 41 116.300 118.817 -2.517 1
1 455 . 17 1 1 A 43 43 SER H H 42 8.130 8.142 -0.012 1
1 456 . 17 1 1 A 43 43 SER HA H 42 4.300 4.060 0.240 1
1 459 . 17 1 1 A 43 43 SER C C 42 176.600 176.975 -0.375 1
1 460 . 17 1 1 A 43 43 SER CA C 42 61.200 62.449 -1.249 1
1 461 . 17 1 1 A 43 43 SER CB C 42 63.100 62.918 0.182 1
1 462 . 17 1 1 A 43 43 SER N N 42 116.300 116.151 0.149 1
1 463 . 17 1 1 A 44 44 ILE H H 43 7.940 7.790 0.150 1
1 464 . 17 1 1 A 44 44 ILE HA H 43 3.860 3.796 0.064 1
1 474 . 17 1 1 A 44 44 ILE C C 43 178.400 178.185 0.215 1
1 475 . 17 1 1 A 44 44 ILE CA C 43 64.500 64.464 0.036 1
1 476 . 17 1 1 A 44 44 ILE CB C 43 37.900 37.523 0.377 1
1 480 . 17 1 1 A 44 44 ILE N N 43 122.500 119.016 3.484 1
1 481 . 17 1 1 A 45 45 LEU H H 44 8.070 8.078 -0.008 1
1 482 . 17 1 1 A 45 45 LEU HA H 44 3.940 4.006 -0.066 1
1 492 . 17 1 1 A 45 45 LEU C C 44 178.200 178.999 -0.799 1
1 493 . 17 1 1 A 45 45 LEU CA C 44 58.100 57.971 0.129 1
1 494 . 17 1 1 A 45 45 LEU CB C 44 41.100 41.644 -0.544 1
1 498 . 17 1 1 A 45 45 LEU N N 44 119.100 122.247 -3.147 1
1 499 . 17 1 1 A 46 46 ALA H H 45 7.760 8.626 -0.866 1
1 500 . 17 1 1 A 46 46 ALA HA H 45 4.100 4.034 0.066 1
1 504 . 17 1 1 A 46 46 ALA C C 45 178.700 179.514 -0.814 1
1 505 . 17 1 1 A 46 46 ALA CA C 45 54.100 54.755 -0.655 1
1 506 . 17 1 1 A 46 46 ALA CB C 45 18.100 18.141 -0.041 1
1 507 . 17 1 1 A 46 46 ALA N N 45 117.600 121.475 -3.875 1
1 508 . 17 1 1 A 47 47 GLN H H 46 7.570 7.566 0.004 1
1 509 . 17 1 1 A 47 47 GLN HA H 46 4.270 4.148 0.122 1
1 514 . 17 1 1 A 47 47 GLN C C 46 177.800 177.885 -0.085 1
1 515 . 17 1 1 A 47 47 GLN CA C 46 57.300 58.025 -0.725 1
1 516 . 17 1 1 A 47 47 GLN CB C 46 29.500 28.800 0.700 1
1 518 . 17 1 1 A 47 47 GLN N N 46 114.300 115.849 -1.549 1
1 519 . 17 1 1 A 48 48 VAL H H 47 7.690 7.143 0.547 1
1 520 . 17 1 1 A 48 48 VAL HA H 47 4.380 4.131 0.249 1
1 528 . 17 1 1 A 48 48 VAL C C 47 174.400 176.008 -1.608 1
1 529 . 17 1 1 A 48 48 VAL CA C 47 62.600 64.229 -1.629 1
1 530 . 17 1 1 A 48 48 VAL CB C 47 32.800 32.115 0.685 1
1 533 . 17 1 1 A 48 48 VAL N N 47 111.900 114.922 -3.022 1
1 534 . 17 1 1 A 49 49 LEU H H 48 7.480 7.725 -0.245 1
1 535 . 17 1 1 A 49 49 LEU HA H 48 4.910 4.627 0.283 1
1 545 . 17 1 1 A 49 49 LEU C C 48 177.000 175.983 1.017 1
1 546 . 17 1 1 A 49 49 LEU CA C 48 53.700 53.404 0.296 1
1 547 . 17 1 1 A 49 49 LEU CB C 48 44.500 42.747 1.753 1
1 551 . 17 1 1 A 49 49 LEU N N 48 119.600 121.890 -2.290 1
1 552 . 17 1 1 A 50 50 ASP H H 49 8.430 8.345 0.085 1
1 553 . 17 1 1 A 50 50 ASP HA H 49 4.630 4.592 0.038 1
1 556 . 17 1 1 A 50 50 ASP C C 49 176.000 177.307 -1.307 1
1 557 . 17 1 1 A 50 50 ASP CA C 49 53.000 53.981 -0.981 1
1 558 . 17 1 1 A 50 50 ASP CB C 49 40.200 42.345 -2.145 1
1 559 . 17 1 1 A 50 50 ASP N N 49 121.200 125.251 -4.051 1
1 560 . 17 1 1 A 51 51 GLN H H 50 8.580 9.030 -0.450 1
1 561 . 17 1 1 A 51 51 GLN HA H 50 3.950 3.946 0.004 1
1 566 . 17 1 1 A 51 51 GLN C C 50 178.800 177.655 1.145 1
1 567 . 17 1 1 A 51 51 GLN CA C 50 60.200 59.106 1.094 1
1 568 . 17 1 1 A 51 51 GLN CB C 50 28.300 28.261 0.039 1
1 570 . 17 1 1 A 51 51 GLN N N 50 118.200 125.737 -7.537 1
1 571 . 17 1 1 A 52 52 SER H H 51 8.430 8.225 0.205 1
1 572 . 17 1 1 A 52 52 SER HA H 51 4.320 4.231 0.089 1
1 575 . 17 1 1 A 52 52 SER C C 51 177.200 176.911 0.289 1
1 576 . 17 1 1 A 52 52 SER CA C 51 61.500 61.358 0.142 1
1 577 . 17 1 1 A 52 52 SER CB C 51 62.400 62.473 -0.073 1
1 578 . 17 1 1 A 52 52 SER N N 51 117.000 115.832 1.168 1
1 579 . 17 1 1 A 53 53 ALA H H 52 8.760 7.991 0.769 1
1 580 . 17 1 1 A 53 53 ALA HA H 52 3.960 3.984 -0.024 1
1 584 . 17 1 1 A 53 53 ALA C C 52 178.900 179.396 -0.496 1
1 585 . 17 1 1 A 53 53 ALA CA C 52 55.400 55.220 0.180 1
1 586 . 17 1 1 A 53 53 ALA CB C 52 19.200 18.269 0.931 1
1 587 . 17 1 1 A 53 53 ALA N N 52 127.400 123.278 4.122 1
1 588 . 17 1 1 A 54 54 ARG H H 53 8.640 8.922 -0.282 1
1 589 . 17 1 1 A 54 54 ARG HA H 53 3.880 4.070 -0.190 1
1 596 . 17 1 1 A 54 54 ARG C C 53 179.000 178.025 0.975 1
1 597 . 17 1 1 A 54 54 ARG CA C 53 59.700 58.950 0.750 1
1 598 . 17 1 1 A 54 54 ARG CB C 53 29.900 29.879 0.021 1
1 601 . 17 1 1 A 54 54 ARG N N 53 118.200 118.672 -0.472 1
1 602 . 17 1 1 A 55 55 ALA H H 54 7.960 8.238 -0.278 1
1 603 . 17 1 1 A 55 55 ALA HA H 54 4.190 4.025 0.165 1
1 607 . 17 1 1 A 55 55 ALA C C 54 180.100 179.139 0.961 1
1 608 . 17 1 1 A 55 55 ALA CA C 54 55.100 55.332 -0.232 1
1 609 . 17 1 1 A 55 55 ALA CB C 54 17.700 18.221 -0.521 1
1 610 . 17 1 1 A 55 55 ALA N N 54 122.200 120.940 1.260 1
1 611 . 17 1 1 A 56 56 ARG H H 55 7.800 7.937 -0.137 1
1 612 . 17 1 1 A 56 56 ARG HA H 55 4.160 4.107 0.053 1
1 619 . 17 1 1 A 56 56 ARG C C 55 178.900 178.060 0.840 1
1 620 . 17 1 1 A 56 56 ARG CA C 55 58.300 58.626 -0.326 1
1 621 . 17 1 1 A 56 56 ARG CB C 55 29.100 30.119 -1.019 1
1 624 . 17 1 1 A 56 56 ARG N N 55 119.100 118.895 0.205 1
1 625 . 17 1 1 A 57 57 LEU H H 56 8.390 8.210 0.180 1
1 626 . 17 1 1 A 57 57 LEU HA H 56 4.060 4.037 0.023 1
1 635 . 17 1 1 A 57 57 LEU C C 56 178.100 178.460 -0.360 1
1 636 . 17 1 1 A 57 57 LEU CA C 56 57.800 57.997 -0.197 1
1 637 . 17 1 1 A 57 57 LEU CB C 56 41.600 41.408 0.192 1
1 641 . 17 1 1 A 57 57 LEU N N 56 120.600 121.547 -0.947 1
1 642 . 17 1 1 A 58 58 SER H H 57 8.150 7.719 0.431 1
1 643 . 17 1 1 A 58 58 SER HA H 57 4.210 4.181 0.029 1
1 646 . 17 1 1 A 58 58 SER C C 57 176.500 177.444 -0.944 1
1 647 . 17 1 1 A 58 58 SER CA C 57 61.800 61.270 0.530 1
1 648 . 17 1 1 A 58 58 SER CB C 57 62.600 62.923 -0.323 1
1 649 . 17 1 1 A 58 58 SER N N 57 114.100 114.579 -0.479 1
1 650 . 17 1 1 A 59 59 ASN H H 58 7.700 8.061 -0.361 1
1 651 . 17 1 1 A 59 59 ASN HA H 58 4.580 4.464 0.116 1
1 656 . 17 1 1 A 59 59 ASN C C 58 178.000 177.812 0.188 1
1 657 . 17 1 1 A 59 59 ASN CA C 58 56.200 56.416 -0.216 1
1 658 . 17 1 1 A 59 59 ASN CB C 58 38.700 38.527 0.173 1
1 659 . 17 1 1 A 59 59 ASN N N 58 119.500 120.749 -1.249 1
1 661 . 17 1 1 A 60 60 LEU H H 59 8.250 7.873 0.377 1
1 662 . 17 1 1 A 60 60 LEU HA H 59 4.070 4.053 0.017 1
1 671 . 17 1 1 A 60 60 LEU C C 59 178.400 179.110 -0.710 1
1 672 . 17 1 1 A 60 60 LEU CA C 59 57.500 57.802 -0.302 1
1 673 . 17 1 1 A 60 60 LEU CB C 59 42.100 41.399 0.701 1
1 677 . 17 1 1 A 60 60 LEU N N 59 123.000 117.715 5.285 1
1 678 . 17 1 1 A 61 61 ALA H H 60 8.070 8.270 -0.200 1
1 679 . 17 1 1 A 61 61 ALA HA H 60 3.910 4.785 -0.875 1
1 683 . 17 1 1 A 61 61 ALA C C 60 178.400 178.756 -0.356 1
1 684 . 17 1 1 A 61 61 ALA CA C 60 54.600 54.666 -0.066 1
1 685 . 17 1 1 A 61 61 ALA CB C 60 18.200 18.794 -0.594 1
1 686 . 17 1 1 A 61 61 ALA N N 60 120.700 121.515 -0.815 1
1 687 . 17 1 1 A 62 62 LEU H H 61 7.170 7.190 -0.020 1
1 688 . 17 1 1 A 62 62 LEU HA H 61 4.200 4.319 -0.119 1
1 695 . 17 1 1 A 62 62 LEU C C 61 178.300 177.914 0.386 1
1 696 . 17 1 1 A 62 62 LEU CA C 61 56.500 55.607 0.893 1
1 697 . 17 1 1 A 62 62 LEU CB C 61 42.100 42.418 -0.318 1
1 701 . 17 1 1 A 62 62 LEU N N 61 113.700 117.549 -3.849 1
1 702 . 17 1 1 A 63 63 VAL H H 62 7.330 7.372 -0.042 1
1 703 . 17 1 1 A 63 63 VAL HA H 62 4.380 4.438 -0.058 1
1 711 . 17 1 1 A 63 63 VAL C C 62 176.200 176.009 0.191 1
1 712 . 17 1 1 A 63 63 VAL CA C 62 62.800 61.865 0.935 1
1 713 . 17 1 1 A 63 63 VAL CB C 62 33.900 33.582 0.318 1
1 716 . 17 1 1 A 63 63 VAL N N 62 112.500 109.876 2.624 1
1 717 . 17 1 1 A 64 64 LYS H H 63 8.710 8.282 0.428 1
1 718 . 17 1 1 A 64 64 LYS HA H 63 5.000 4.658 0.342 1
1 727 . 17 1 1 A 64 64 LYS C C 63 174.200 175.714 -1.514 1
1 728 . 17 1 1 A 64 64 LYS CA C 63 53.600 53.523 0.077 1
1 729 . 17 1 1 A 64 64 LYS CB C 63 33.400 32.492 0.908 1
1 733 . 17 1 1 A 64 64 LYS N N 63 120.400 119.940 0.460 1
1 734 . 17 1 1 A 65 65 PRO HA H 64 4.360 4.683 -0.323 1
1 741 . 17 1 1 A 65 65 PRO C C 64 179.400 177.992 1.408 1
1 742 . 17 1 1 A 65 65 PRO CA C 64 66.000 64.678 1.322 1
1 743 . 17 1 1 A 65 65 PRO CB C 64 31.400 31.990 -0.590 1
1 746 . 17 1 1 A 66 66 GLU H H 65 8.920 8.557 0.363 1
1 747 . 17 1 1 A 66 66 GLU HA H 65 4.200 4.063 0.137 1
1 752 . 17 1 1 A 66 66 GLU C C 65 179.600 179.225 0.375 1
1 753 . 17 1 1 A 66 66 GLU CA C 65 59.400 59.323 0.077 1
1 754 . 17 1 1 A 66 66 GLU CB C 65 28.300 29.170 -0.870 1
1 756 . 17 1 1 A 66 66 GLU N N 65 118.700 117.955 0.745 1
1 757 . 17 1 1 A 67 67 LYS H H 66 8.000 7.962 0.038 1
1 758 . 17 1 1 A 67 67 LYS HA H 66 4.160 4.169 -0.009 1
1 767 . 17 1 1 A 67 67 LYS C C 66 178.400 179.114 -0.714 1
1 768 . 17 1 1 A 67 67 LYS CA C 66 58.500 58.796 -0.296 1
1 769 . 17 1 1 A 67 67 LYS CB C 66 32.300 32.006 0.294 1
1 773 . 17 1 1 A 67 67 LYS N N 66 121.300 119.622 1.678 1
1 774 . 17 1 1 A 68 68 THR H H 67 7.960 7.870 0.090 1
1 775 . 17 1 1 A 68 68 THR HA H 67 4.130 3.872 0.258 1
1 780 . 17 1 1 A 68 68 THR C C 67 176.200 175.981 0.219 1
1 781 . 17 1 1 A 68 68 THR CA C 67 67.800 67.182 0.618 1
1 782 . 17 1 1 A 68 68 THR CB C 67 67.800 68.128 -0.328 1
1 784 . 17 1 1 A 68 68 THR N N 67 114.200 117.141 -2.941 1
1 785 . 17 1 1 A 69 69 LYS H H 68 7.770 7.861 -0.091 1
1 786 . 17 1 1 A 69 69 LYS HA H 68 3.990 3.889 0.101 1
1 795 . 17 1 1 A 69 69 LYS C C 68 178.100 178.768 -0.668 1
1 796 . 17 1 1 A 69 69 LYS CA C 68 59.400 59.355 0.045 1
1 797 . 17 1 1 A 69 69 LYS CB C 68 31.700 32.385 -0.685 1
1 801 . 17 1 1 A 69 69 LYS N N 68 122.000 121.629 0.371 1
1 802 . 17 1 1 A 70 70 ALA H H 69 7.480 7.250 0.230 1
1 803 . 17 1 1 A 70 70 ALA HA H 69 4.240 4.092 0.148 1
1 807 . 17 1 1 A 70 70 ALA C C 69 181.200 179.844 1.356 1
1 808 . 17 1 1 A 70 70 ALA CA C 69 55.200 55.089 0.111 1
1 809 . 17 1 1 A 70 70 ALA CB C 69 17.900 18.421 -0.521 1
1 810 . 17 1 1 A 70 70 ALA N N 69 120.300 121.281 -0.981 1
1 811 . 17 1 1 A 71 71 VAL H H 70 8.160 8.031 0.129 1
1 812 . 17 1 1 A 71 71 VAL HA H 70 3.620 3.865 -0.245 1
1 820 . 17 1 1 A 71 71 VAL C C 70 177.400 178.142 -0.742 1
1 821 . 17 1 1 A 71 71 VAL CA C 70 66.600 65.317 1.283 1
1 822 . 17 1 1 A 71 71 VAL CB C 70 31.500 31.611 -0.111 1
1 825 . 17 1 1 A 71 71 VAL N N 70 120.300 117.052 3.248 1
1 826 . 17 1 1 A 72 72 GLU H H 71 8.690 8.883 -0.193 1
1 827 . 17 1 1 A 72 72 GLU HA H 71 3.800 3.955 -0.155 1
1 832 . 17 1 1 A 72 72 GLU C C 71 178.000 178.996 -0.996 1
1 833 . 17 1 1 A 72 72 GLU CA C 71 60.400 60.030 0.370 1
1 834 . 17 1 1 A 72 72 GLU CB C 71 29.200 29.332 -0.132 1
1 836 . 17 1 1 A 72 72 GLU N N 71 119.300 122.417 -3.117 1
1 837 . 17 1 1 A 73 73 ASN H H 72 8.460 8.175 0.285 1
1 838 . 17 1 1 A 73 73 ASN HA H 72 4.440 4.456 -0.016 1
1 843 . 17 1 1 A 73 73 ASN C C 72 177.600 177.098 0.502 1
1 844 . 17 1 1 A 73 73 ASN CA C 72 56.200 56.272 -0.072 1
1 845 . 17 1 1 A 73 73 ASN CB C 72 37.600 39.207 -1.607 1
1 846 . 17 1 1 A 73 73 ASN N N 72 115.900 118.487 -2.587 1
1 848 . 17 1 1 A 74 74 TYR H H 73 7.940 8.340 -0.400 1
1 849 . 17 1 1 A 74 74 TYR HA H 73 4.200 4.213 -0.013 1
1 856 . 17 1 1 A 74 74 TYR C C 73 177.600 177.041 0.559 1
1 857 . 17 1 1 A 74 74 TYR CA C 73 61.500 61.430 0.070 1
1 858 . 17 1 1 A 74 74 TYR CB C 73 38.400 38.831 -0.431 1
1 863 . 17 1 1 A 74 74 TYR N N 73 122.400 120.494 1.906 1
1 864 . 17 1 1 A 75 75 LEU H H 74 8.410 8.399 0.011 1
1 865 . 17 1 1 A 75 75 LEU HA H 74 3.930 3.774 0.156 1
1 875 . 17 1 1 A 75 75 LEU C C 74 178.500 179.107 -0.607 1
1 876 . 17 1 1 A 75 75 LEU CA C 74 58.100 57.953 0.147 1
1 877 . 17 1 1 A 75 75 LEU CB C 74 42.600 41.594 1.006 1
1 881 . 17 1 1 A 75 75 LEU N N 74 119.500 120.409 -0.909 1
1 882 . 17 1 1 A 76 76 ILE H H 75 8.400 8.296 0.104 1
1 883 . 17 1 1 A 76 76 ILE HA H 75 3.570 3.475 0.095 1
1 890 . 17 1 1 A 76 76 ILE C C 75 178.100 178.260 -0.160 1
1 891 . 17 1 1 A 76 76 ILE CA C 75 65.200 65.416 -0.216 1
1 892 . 17 1 1 A 76 76 ILE CB C 75 37.800 37.788 0.012 1
1 896 . 17 1 1 A 76 76 ILE N N 75 118.600 120.172 -1.572 1
1 897 . 17 1 1 A 77 77 GLN H H 76 7.830 8.489 -0.659 1
1 898 . 17 1 1 A 77 77 GLN HA H 76 3.920 4.049 -0.129 1
1 903 . 17 1 1 A 77 77 GLN C C 76 178.100 178.206 -0.106 1
1 904 . 17 1 1 A 77 77 GLN CA C 76 59.100 58.593 0.507 1
1 905 . 17 1 1 A 77 77 GLN CB C 76 28.000 28.273 -0.273 1
1 907 . 17 1 1 A 77 77 GLN N N 76 119.300 119.991 -0.691 1
1 908 . 17 1 1 A 78 78 MET H H 77 8.060 8.288 -0.228 1
1 909 . 17 1 1 A 78 78 MET HA H 77 4.040 4.361 -0.321 1
1 912 . 17 1 1 A 78 78 MET C C 77 178.700 177.999 0.701 1
1 913 . 17 1 1 A 78 78 MET CA C 77 58.600 58.020 0.580 1
1 914 . 17 1 1 A 78 78 MET CB C 77 33.000 31.914 1.086 1
1 916 . 17 1 1 A 78 78 MET N N 77 117.600 119.824 -2.224 1
1 917 . 17 1 1 A 79 79 ALA H H 78 8.210 8.338 -0.128 1
1 918 . 17 1 1 A 79 79 ALA HA H 78 4.190 3.888 0.302 1
1 922 . 17 1 1 A 79 79 ALA C C 78 180.600 180.281 0.319 1
1 923 . 17 1 1 A 79 79 ALA CA C 78 54.100 55.355 -1.255 1
1 924 . 17 1 1 A 79 79 ALA CB C 78 18.400 18.160 0.240 1
1 925 . 17 1 1 A 79 79 ALA N N 78 121.400 121.525 -0.125 1
1 926 . 17 1 1 A 80 80 ARG H H 79 8.120 8.197 -0.077 1
1 927 . 17 1 1 A 80 80 ARG HA H 79 3.960 4.033 -0.073 1
1 934 . 17 1 1 A 80 80 ARG C C 79 177.900 177.215 0.685 1
1 935 . 17 1 1 A 80 80 ARG CA C 79 58.800 58.224 0.576 1
1 936 . 17 1 1 A 80 80 ARG CB C 79 29.900 29.502 0.398 1
1 939 . 17 1 1 A 80 80 ARG N N 79 119.100 120.087 -0.987 1
1 940 . 17 1 1 A 81 81 TYR H H 80 7.800 7.319 0.481 1
1 941 . 17 1 1 A 81 81 TYR HA H 80 4.710 4.571 0.139 1
1 948 . 17 1 1 A 81 81 TYR C C 80 176.500 175.869 0.631 1
1 949 . 17 1 1 A 81 81 TYR CA C 80 57.500 57.955 -0.455 1
1 950 . 17 1 1 A 81 81 TYR CB C 80 38.100 38.688 -0.588 1
1 955 . 17 1 1 A 81 81 TYR N N 80 115.900 115.875 0.025 1
1 956 . 17 1 1 A 82 82 GLY H H 81 7.850 7.966 -0.116 1
1 957 . 17 1 1 A 82 82 GLY HA2 H 81 4.030 3.918 0.112 1
1 958 . 17 1 1 A 82 82 GLY HA3 H 81 4.030 3.931 0.099 1
1 959 . 17 1 1 A 82 82 GLY C C 81 174.900 175.156 -0.256 1
1 960 . 17 1 1 A 82 82 GLY CA C 81 46.300 45.825 0.475 1
1 961 . 17 1 1 A 82 82 GLY N N 81 108.500 108.508 -0.008 1
1 962 . 17 1 1 A 83 83 GLN H H 82 8.200 8.206 -0.006 1
1 963 . 17 1 1 A 83 83 GLN HA H 82 4.310 4.206 0.104 1
1 968 . 17 1 1 A 83 83 GLN C C 82 175.500 175.486 0.014 1
1 969 . 17 1 1 A 83 83 GLN CA C 82 55.700 57.195 -1.495 1
1 970 . 17 1 1 A 83 83 GLN CB C 82 29.400 28.124 1.276 1
1 972 . 17 1 1 A 83 83 GLN N N 82 116.900 118.899 -1.999 1
1 973 . 17 1 1 A 84 84 LEU H H 83 7.990 7.642 0.348 1
1 974 . 17 1 1 A 84 84 LEU HA H 83 4.610 4.526 0.084 1
1 984 . 17 1 1 A 84 84 LEU C C 83 176.500 175.885 0.615 1
1 985 . 17 1 1 A 84 84 LEU CA C 83 54.300 53.902 0.398 1
1 986 . 17 1 1 A 84 84 LEU CB C 83 42.600 42.608 -0.008 1
1 990 . 17 1 1 A 84 84 LEU N N 83 121.400 122.207 -0.807 1
1 991 . 17 1 1 A 85 85 SER H H 84 8.630 8.885 -0.255 1
1 992 . 17 1 1 A 85 85 SER HA H 84 4.410 4.830 -0.420 1
1 995 . 17 1 1 A 85 85 SER C C 84 173.700 173.297 0.403 1
1 996 . 17 1 1 A 85 85 SER CA C 84 59.400 57.822 1.578 1
1 997 . 17 1 1 A 85 85 SER CB C 84 63.900 64.577 -0.677 1
1 998 . 17 1 1 A 85 85 SER N N 84 118.400 121.403 -3.003 1
1 999 . 17 1 1 A 86 86 GLU H H 85 7.690 7.475 0.215 1
1 1000 . 17 1 1 A 86 86 GLU HA H 85 4.530 4.820 -0.290 1
1 1005 . 17 1 1 A 86 86 GLU C C 85 175.400 174.648 0.752 1
1 1006 . 17 1 1 A 86 86 GLU CA C 85 54.900 54.651 0.249 1
1 1007 . 17 1 1 A 86 86 GLU CB C 85 31.200 33.315 -2.115 1
1 1009 . 17 1 1 A 86 86 GLU N N 85 119.400 121.455 -2.055 1
1 1010 . 17 1 1 A 87 87 LYS H H 86 8.380 8.308 0.072 1
1 1011 . 17 1 1 A 87 87 LYS HA H 86 4.230 4.616 -0.386 1
1 1018 . 17 1 1 A 87 87 LYS C C 86 176.900 176.338 0.562 1
1 1019 . 17 1 1 A 87 87 LYS CA C 86 57.000 55.864 1.136 1
1 1020 . 17 1 1 A 87 87 LYS CB C 86 33.300 33.749 -0.449 1
1 1024 . 17 1 1 A 87 87 LYS N N 86 120.400 123.603 -3.203 1
1 1025 . 17 1 1 A 88 88 VAL H H 87 8.960 8.776 0.184 1
1 1026 . 17 1 1 A 88 88 VAL HA H 87 3.970 4.461 -0.491 1
1 1034 . 17 1 1 A 88 88 VAL C C 87 174.700 176.257 -1.557 1
1 1035 . 17 1 1 A 88 88 VAL CA C 87 63.300 61.028 2.272 1
1 1036 . 17 1 1 A 88 88 VAL CB C 87 32.400 33.020 -0.620 1
1 1038 . 17 1 1 A 88 88 VAL N N 87 125.200 124.182 1.018 1
1 1039 . 17 1 1 A 89 89 SER H H 88 8.190 9.075 -0.885 1
1 1040 . 17 1 1 A 89 89 SER HA H 88 4.990 4.588 0.402 1
1 1043 . 17 1 1 A 89 89 SER C C 88 175.700 175.887 -0.187 1
1 1044 . 17 1 1 A 89 89 SER CA C 88 56.200 57.843 -1.643 1
1 1045 . 17 1 1 A 89 89 SER CB C 88 66.600 64.377 2.223 1
1 1046 . 17 1 1 A 89 89 SER N N 88 121.700 121.161 0.539 1
1 1047 . 17 1 1 A 90 90 GLU H H 89 9.230 8.990 0.240 1
1 1048 . 17 1 1 A 90 90 GLU HA H 89 3.720 4.016 -0.296 1
1 1053 . 17 1 1 A 90 90 GLU C C 89 177.700 178.237 -0.537 1
1 1054 . 17 1 1 A 90 90 GLU CA C 89 61.200 59.842 1.358 1
1 1055 . 17 1 1 A 90 90 GLU CB C 89 29.100 29.437 -0.337 1
1 1057 . 17 1 1 A 90 90 GLU N N 89 121.600 124.434 -2.834 1
1 1058 . 17 1 1 A 91 91 GLN H H 90 8.430 8.027 0.403 1
1 1059 . 17 1 1 A 91 91 GLN HA H 90 4.040 4.069 -0.029 1
1 1066 . 17 1 1 A 91 91 GLN C C 90 178.900 179.386 -0.486 1
1 1067 . 17 1 1 A 91 91 GLN CA C 90 59.100 58.542 0.558 1
1 1068 . 17 1 1 A 91 91 GLN CB C 90 27.800 28.682 -0.882 1
1 1070 . 17 1 1 A 91 91 GLN N N 90 117.100 118.402 -1.302 1
1 1072 . 17 1 1 A 92 92 GLY H H 91 8.080 7.980 0.100 1
1 1073 . 17 1 1 A 92 92 GLY HA2 H 91 3.890 3.615 0.275 1
1 1074 . 17 1 1 A 92 92 GLY HA3 H 91 3.890 3.616 0.274 1
1 1075 . 17 1 1 A 92 92 GLY C C 91 176.600 175.740 0.860 1
1 1076 . 17 1 1 A 92 92 GLY CA C 91 46.900 46.982 -0.082 1
1 1077 . 17 1 1 A 92 92 GLY N N 91 109.400 109.959 -0.559 1
1 1078 . 17 1 1 A 93 93 LEU H H 92 8.610 8.222 0.388 1
1 1079 . 17 1 1 A 93 93 LEU HA H 92 4.000 4.203 -0.203 1
1 1089 . 17 1 1 A 93 93 LEU C C 92 178.000 178.395 -0.395 1
1 1090 . 17 1 1 A 93 93 LEU CA C 92 57.500 57.175 0.325 1
1 1091 . 17 1 1 A 93 93 LEU CB C 92 41.800 41.600 0.200 1
1 1095 . 17 1 1 A 93 93 LEU N N 92 123.700 122.521 1.179 1
1 1096 . 17 1 1 A 94 94 ILE H H 93 7.970 8.451 -0.481 1
1 1097 . 17 1 1 A 94 94 ILE HA H 93 3.640 3.581 0.059 1
1 1107 . 17 1 1 A 94 94 ILE C C 93 178.500 178.179 0.321 1
1 1108 . 17 1 1 A 94 94 ILE CA C 93 64.800 64.989 -0.189 1
1 1109 . 17 1 1 A 94 94 ILE CB C 93 37.100 37.502 -0.402 1
1 1113 . 17 1 1 A 94 94 ILE N N 93 119.900 120.010 -0.110 1
1 1114 . 17 1 1 A 95 95 GLU H H 94 7.610 8.162 -0.552 1
1 1115 . 17 1 1 A 95 95 GLU HA H 94 4.090 4.034 0.056 1
1 1120 . 17 1 1 A 95 95 GLU C C 94 179.400 179.118 0.282 1
1 1121 . 17 1 1 A 95 95 GLU CA C 94 59.200 59.151 0.049 1
1 1122 . 17 1 1 A 95 95 GLU CB C 94 28.800 29.513 -0.713 1
1 1124 . 17 1 1 A 95 95 GLU N N 94 118.800 121.798 -2.998 1
1 1125 . 17 1 1 A 96 96 ILE H H 95 7.840 7.493 0.347 1
1 1126 . 17 1 1 A 96 96 ILE HA H 95 3.520 3.695 -0.175 1
1 1136 . 17 1 1 A 96 96 ILE C C 95 177.500 178.009 -0.509 1
1 1137 . 17 1 1 A 96 96 ILE CA C 95 65.500 65.244 0.256 1
1 1138 . 17 1 1 A 96 96 ILE CB C 95 37.900 38.169 -0.269 1
1 1142 . 17 1 1 A 96 96 ILE N N 95 121.600 120.944 0.656 1
1 1143 . 17 1 1 A 97 97 LEU H H 96 8.620 8.249 0.371 1
1 1144 . 17 1 1 A 97 97 LEU HA H 96 3.800 3.978 -0.178 1
1 1151 . 17 1 1 A 97 97 LEU C C 96 179.400 178.767 0.633 1
1 1152 . 17 1 1 A 97 97 LEU CA C 96 58.600 58.117 0.483 1
1 1153 . 17 1 1 A 97 97 LEU CB C 96 41.500 41.815 -0.315 1
1 1156 . 17 1 1 A 97 97 LEU N N 96 120.400 120.810 -0.410 1
1 1157 . 17 1 1 A 98 98 LYS H H 97 7.750 7.975 -0.225 1
1 1158 . 17 1 1 A 98 98 LYS HA H 97 3.990 3.965 0.025 1
1 1167 . 17 1 1 A 98 98 LYS C C 97 178.600 179.441 -0.841 1
1 1168 . 17 1 1 A 98 98 LYS CA C 97 59.400 60.053 -0.653 1
1 1169 . 17 1 1 A 98 98 LYS CB C 97 32.300 32.298 0.002 1
1 1172 . 17 1 1 A 98 98 LYS N N 97 119.000 119.795 -0.795 1
1 1173 . 17 1 1 A 99 99 LYS H H 98 7.710 7.666 0.044 1
1 1174 . 17 1 1 A 99 99 LYS HA H 98 4.110 4.037 0.073 1
1 1183 . 17 1 1 A 99 99 LYS C C 98 179.100 178.089 1.011 1
1 1184 . 17 1 1 A 99 99 LYS CA C 98 59.100 59.028 0.072 1
1 1185 . 17 1 1 A 99 99 LYS CB C 98 32.500 31.817 0.683 1
1 1189 . 17 1 1 A 99 99 LYS N N 98 119.500 118.774 0.726 1
1 1190 . 17 1 1 A 100 100 VAL H H 99 8.210 7.852 0.358 1
1 1191 . 17 1 1 A 100 100 VAL HA H 99 3.920 3.891 0.029 1
1 1196 . 17 1 1 A 100 100 VAL C C 99 177.600 177.839 -0.239 1
1 1197 . 17 1 1 A 100 100 VAL CA C 99 64.200 64.489 -0.289 1
1 1198 . 17 1 1 A 100 100 VAL CB C 99 31.500 31.349 0.151 1
1 1200 . 17 1 1 A 100 100 VAL N N 99 115.800 116.283 -0.483 1
1 1201 . 17 1 1 A 101 101 SER H H 100 7.900 7.766 0.134 1
1 1202 . 17 1 1 A 101 101 SER HA H 100 4.340 4.048 0.292 1
1 1205 . 17 1 1 A 101 101 SER C C 100 174.600 175.299 -0.699 1
1 1206 . 17 1 1 A 101 101 SER CA C 100 60.400 61.920 -1.520 1
1 1207 . 17 1 1 A 101 101 SER CB C 100 63.600 63.053 0.547 1
1 1208 . 17 1 1 A 101 101 SER N N 100 116.500 117.692 -1.192 1
1 1209 . 17 1 1 A 102 102 GLN H H 101 7.860 7.739 0.121 1
1 1210 . 17 1 1 A 102 102 GLN HA H 101 4.280 4.411 -0.131 1
1 1215 . 17 1 1 A 102 102 GLN C C 101 176.400 175.256 1.144 1
1 1216 . 17 1 1 A 102 102 GLN CA C 101 56.800 57.104 -0.304 1
1 1217 . 17 1 1 A 102 102 GLN CB C 101 28.900 30.213 -1.313 1
1 1219 . 17 1 1 A 102 102 GLN N N 101 120.100 117.285 2.815 1
1 1220 . 17 1 1 A 103 103 GLN H H 102 8.080 7.677 0.403 1
1 1221 . 17 1 1 A 103 103 GLN HA H 102 4.360 4.551 -0.191 1
1 1226 . 17 1 1 A 103 103 GLN C C 102 176.500 175.937 0.563 1
1 1227 . 17 1 1 A 103 103 GLN CA C 102 56.700 54.330 2.370 1
1 1228 . 17 1 1 A 103 103 GLN CB C 102 29.000 28.943 0.057 1
1 1230 . 17 1 1 A 103 103 GLN N N 102 119.700 119.130 0.570 1
1 1231 . 17 1 1 A 104 104 THR H H 103 8.070 8.753 -0.683 1
1 1232 . 17 1 1 A 104 104 THR HA H 103 4.350 3.841 0.509 1
1 1237 . 17 1 1 A 104 104 THR C C 103 174.700 174.779 -0.079 1
1 1238 . 17 1 1 A 104 104 THR CA C 103 62.500 66.094 -3.594 1
1 1239 . 17 1 1 A 104 104 THR CB C 103 69.800 68.523 1.277 1
1 1241 . 17 1 1 A 104 104 THR N N 103 113.900 120.706 -6.806 1
1 1242 . 17 1 1 A 105 105 GLU H H 104 8.290 7.616 0.674 1
1 1243 . 17 1 1 A 105 105 GLU HA H 104 4.350 4.525 -0.175 1
1 1248 . 17 1 1 A 105 105 GLU C C 104 176.300 174.652 1.648 1
1 1249 . 17 1 1 A 105 105 GLU CA C 104 56.700 56.214 0.486 1
1 1250 . 17 1 1 A 105 105 GLU CB C 104 29.900 33.295 -3.395 1
1 1252 . 17 1 1 A 105 105 GLU N N 104 122.900 116.624 6.276 1
1 1253 . 17 1 1 A 106 106 LYS H H 105 8.320 9.027 -0.707 1
1 1254 . 17 1 1 A 106 106 LYS HA H 105 4.390 4.491 -0.101 1
1 1263 . 17 1 1 A 106 106 LYS C C 105 176.800 175.647 1.153 1
1 1264 . 17 1 1 A 106 106 LYS CA C 105 56.700 55.956 0.744 1
1 1265 . 17 1 1 A 106 106 LYS CB C 105 32.800 34.510 -1.710 1
1 1269 . 17 1 1 A 106 106 LYS N N 105 121.900 123.812 -1.912 1
1 1270 . 17 1 1 A 107 107 THR H H 106 8.150 7.815 0.335 1
1 1271 . 17 1 1 A 107 107 THR HA H 106 4.430 4.819 -0.389 1
1 1276 . 17 1 1 A 107 107 THR C C 106 174.600 172.560 2.040 1
1 1277 . 17 1 1 A 107 107 THR CA C 106 62.000 59.531 2.469 1
1 1278 . 17 1 1 A 107 107 THR CB C 106 70.000 72.082 -2.082 1
1 1280 . 17 1 1 A 107 107 THR N N 106 115.000 113.010 1.990 1
1 1281 . 17 1 1 A 108 108 THR H H 107 8.190 8.834 -0.644 1
1 1282 . 17 1 1 A 108 108 THR HA H 107 4.440 4.888 -0.448 1
1 1287 . 17 1 1 A 108 108 THR C C 107 174.500 173.955 0.545 1
1 1288 . 17 1 1 A 108 108 THR CA C 107 62.000 61.605 0.395 1
1 1289 . 17 1 1 A 108 108 THR CB C 107 69.800 70.915 -1.115 1
1 1291 . 17 1 1 A 108 108 THR N N 107 116.500 117.658 -1.158 1
1 1292 . 17 1 1 A 109 109 THR H H 108 8.170 8.980 -0.810 1
1 1293 . 17 1 1 A 109 109 THR HA H 108 4.350 4.171 0.179 1
1 1298 . 17 1 1 A 109 109 THR C C 108 174.200 174.203 -0.003 1
1 1299 . 17 1 1 A 109 109 THR CA C 108 62.000 64.052 -2.052 1
1 1300 . 17 1 1 A 109 109 THR CB C 108 69.800 68.658 1.142 1
1 1302 . 17 1 1 A 109 109 THR N N 108 117.200 122.564 -5.364 1
1 1303 . 17 1 1 A 110 110 VAL H H 109 8.100 8.983 -0.883 1
1 1304 . 17 1 1 A 110 110 VAL HA H 109 4.040 3.900 0.140 1
1 1312 . 17 1 1 A 110 110 VAL C C 109 175.200 176.209 -1.009 1
1 1313 . 17 1 1 A 110 110 VAL CA C 109 62.300 64.781 -2.481 1
1 1314 . 17 1 1 A 110 110 VAL CB C 109 32.600 32.234 0.366 1
1 1316 . 17 1 1 A 110 110 VAL N N 109 123.100 128.171 -5.071 1
1 1317 . 17 1 1 A 111 111 LYS H H 110 8.200 7.853 0.347 1
1 1318 . 17 1 1 A 111 111 LYS HA H 110 4.310 4.242 0.068 1
1 1327 . 17 1 1 A 111 111 LYS C C 110 175.700 176.187 -0.487 1
1 1328 . 17 1 1 A 111 111 LYS CA C 110 55.700 57.402 -1.702 1
1 1329 . 17 1 1 A 111 111 LYS CB C 110 33.300 31.283 2.017 1
1 1333 . 17 1 1 A 111 111 LYS N N 110 125.200 118.766 6.434 1
1 1334 . 17 1 1 A 112 112 PHE H H 111 8.310 8.436 -0.126 1
1 1335 . 17 1 1 A 112 112 PHE HA H 111 4.650 4.630 0.020 1
1 1338 . 17 1 1 A 112 112 PHE C C 111 174.500 175.015 -0.515 1
1 1339 . 17 1 1 A 112 112 PHE CA C 111 57.500 57.533 -0.033 1
1 1340 . 17 1 1 A 112 112 PHE CB C 111 39.700 39.901 -0.201 1
1 1341 . 17 1 1 A 112 112 PHE N N 111 122.100 120.908 1.192 1
1 1 . 18 1 1 A 2 2 SER H H 1 8.780 8.360 0.420 1
1 2 . 18 1 1 A 2 2 SER HA H 1 4.480 4.833 -0.353 1
1 5 . 18 1 1 A 2 2 SER C C 1 175.000 174.720 0.280 1
1 6 . 18 1 1 A 2 2 SER CA C 1 59.100 57.299 1.801 1
1 7 . 18 1 1 A 2 2 SER CB C 1 63.900 62.833 1.067 1
1 8 . 18 1 1 A 2 2 SER N N 1 116.600 119.396 -2.796 1
1 9 . 18 1 1 A 3 3 ALA H H 2 8.710 8.602 0.108 1
1 10 . 18 1 1 A 3 3 ALA HA H 2 4.310 4.036 0.274 1
1 14 . 18 1 1 A 3 3 ALA C C 2 178.800 179.312 -0.512 1
1 15 . 18 1 1 A 3 3 ALA CA C 2 53.800 55.378 -1.578 1
1 16 . 18 1 1 A 3 3 ALA CB C 2 18.500 18.330 0.170 1
1 17 . 18 1 1 A 3 3 ALA N N 2 125.500 127.966 -2.466 1
1 18 . 18 1 1 A 4 4 ASP H H 3 8.190 8.206 -0.016 1
1 19 . 18 1 1 A 4 4 ASP HA H 3 4.500 4.385 0.115 1
1 22 . 18 1 1 A 4 4 ASP C C 3 177.700 178.663 -0.963 1
1 23 . 18 1 1 A 4 4 ASP CA C 3 55.900 56.812 -0.912 1
1 24 . 18 1 1 A 4 4 ASP CB C 3 40.500 40.186 0.314 1
1 25 . 18 1 1 A 4 4 ASP N N 3 117.800 118.088 -0.288 1
1 26 . 18 1 1 A 5 5 GLU H H 4 8.150 8.338 -0.188 1
1 27 . 18 1 1 A 5 5 GLU HA H 4 4.140 4.055 0.085 1
1 32 . 18 1 1 A 5 5 GLU C C 4 178.600 179.149 -0.549 1
1 33 . 18 1 1 A 5 5 GLU CA C 4 58.600 59.616 -1.016 1
1 34 . 18 1 1 A 5 5 GLU CB C 4 29.100 29.095 0.005 1
1 36 . 18 1 1 A 5 5 GLU N N 4 120.800 119.566 1.234 1
1 37 . 18 1 1 A 6 6 GLU H H 5 8.250 7.950 0.300 1
1 38 . 18 1 1 A 6 6 GLU HA H 5 4.200 4.061 0.139 1
1 43 . 18 1 1 A 6 6 GLU C C 5 178.300 179.534 -1.234 1
1 44 . 18 1 1 A 6 6 GLU CA C 5 58.600 59.168 -0.568 1
1 45 . 18 1 1 A 6 6 GLU CB C 5 28.800 29.518 -0.718 1
1 47 . 18 1 1 A 6 6 GLU N N 5 120.800 119.735 1.065 1
1 48 . 18 1 1 A 7 7 LEU H H 6 7.990 8.443 -0.453 1
1 49 . 18 1 1 A 7 7 LEU HA H 6 4.170 4.147 0.023 1
1 58 . 18 1 1 A 7 7 LEU C C 6 179.500 178.432 1.068 1
1 59 . 18 1 1 A 7 7 LEU CA C 6 57.500 57.540 -0.040 1
1 60 . 18 1 1 A 7 7 LEU CB C 6 41.600 41.468 0.132 1
1 64 . 18 1 1 A 7 7 LEU N N 6 120.900 121.487 -0.587 1
1 65 . 18 1 1 A 8 8 GLU H H 7 8.130 8.429 -0.299 1
1 66 . 18 1 1 A 8 8 GLU HA H 7 4.160 4.039 0.121 1
1 71 . 18 1 1 A 8 8 GLU C C 7 178.300 178.579 -0.279 1
1 72 . 18 1 1 A 8 8 GLU CA C 7 58.800 59.443 -0.643 1
1 73 . 18 1 1 A 8 8 GLU CB C 7 28.800 29.273 -0.473 1
1 75 . 18 1 1 A 8 8 GLU N N 7 120.100 119.300 0.800 1
1 76 . 18 1 1 A 9 9 ALA H H 8 8.030 8.355 -0.325 1
1 77 . 18 1 1 A 9 9 ALA HA H 8 4.090 4.152 -0.062 1
1 81 . 18 1 1 A 9 9 ALA C C 8 180.500 179.797 0.703 1
1 82 . 18 1 1 A 9 9 ALA CA C 8 55.100 55.171 -0.071 1
1 83 . 18 1 1 A 9 9 ALA CB C 8 17.900 18.600 -0.700 1
1 84 . 18 1 1 A 9 9 ALA N N 8 122.100 122.271 -0.171 1
1 85 . 18 1 1 A 10 10 LEU H H 9 7.890 7.823 0.067 1
1 86 . 18 1 1 A 10 10 LEU HA H 9 4.160 4.018 0.142 1
1 95 . 18 1 1 A 10 10 LEU C C 9 179.200 178.326 0.874 1
1 96 . 18 1 1 A 10 10 LEU CA C 9 57.500 57.422 0.078 1
1 97 . 18 1 1 A 10 10 LEU CB C 9 41.800 42.072 -0.272 1
1 101 . 18 1 1 A 10 10 LEU N N 9 119.500 120.279 -0.779 1
1 102 . 18 1 1 A 11 11 ARG H H 10 8.080 7.622 0.458 1
1 103 . 18 1 1 A 11 11 ARG HA H 10 4.010 3.955 0.055 1
1 110 . 18 1 1 A 11 11 ARG C C 10 178.900 179.120 -0.220 1
1 111 . 18 1 1 A 11 11 ARG CA C 10 59.400 59.420 -0.020 1
1 112 . 18 1 1 A 11 11 ARG CB C 10 30.100 29.897 0.203 1
1 115 . 18 1 1 A 11 11 ARG N N 10 120.400 118.896 1.504 1
1 116 . 18 1 1 A 12 12 ARG H H 11 8.170 8.308 -0.138 1
1 117 . 18 1 1 A 12 12 ARG HA H 11 4.040 4.150 -0.110 1
1 124 . 18 1 1 A 12 12 ARG C C 11 178.900 178.858 0.042 1
1 125 . 18 1 1 A 12 12 ARG CA C 11 59.300 59.324 -0.024 1
1 126 . 18 1 1 A 12 12 ARG CB C 11 30.000 29.772 0.228 1
1 129 . 18 1 1 A 12 12 ARG N N 11 118.400 118.729 -0.329 1
1 130 . 18 1 1 A 13 13 GLN H H 12 8.060 8.270 -0.210 1
1 131 . 18 1 1 A 13 13 GLN HA H 12 4.150 4.007 0.143 1
1 136 . 18 1 1 A 13 13 GLN C C 12 177.900 178.703 -0.803 1
1 137 . 18 1 1 A 13 13 GLN CA C 12 58.600 59.143 -0.543 1
1 138 . 18 1 1 A 13 13 GLN CB C 12 28.500 28.396 0.104 1
1 140 . 18 1 1 A 13 13 GLN N N 12 120.400 119.169 1.231 1
1 141 . 18 1 1 A 14 14 ARG H H 13 8.180 7.920 0.260 1
1 142 . 18 1 1 A 14 14 ARG HA H 13 4.160 4.148 0.012 1
1 149 . 18 1 1 A 14 14 ARG C C 13 178.600 178.390 0.210 1
1 150 . 18 1 1 A 14 14 ARG CA C 13 58.600 58.586 0.014 1
1 151 . 18 1 1 A 14 14 ARG CB C 13 29.900 30.083 -0.183 1
1 154 . 18 1 1 A 14 14 ARG N N 13 119.900 120.269 -0.369 1
1 155 . 18 1 1 A 15 15 LEU H H 14 7.980 8.125 -0.145 1
1 156 . 18 1 1 A 15 15 LEU HA H 14 4.180 4.120 0.060 1
1 165 . 18 1 1 A 15 15 LEU C C 14 178.800 178.570 0.230 1
1 166 . 18 1 1 A 15 15 LEU CA C 14 57.300 57.428 -0.128 1
1 167 . 18 1 1 A 15 15 LEU CB C 14 41.700 41.512 0.188 1
1 171 . 18 1 1 A 15 15 LEU N N 14 119.900 120.817 -0.917 1
1 172 . 18 1 1 A 16 16 ALA H H 15 7.930 8.125 -0.195 1
1 173 . 18 1 1 A 16 16 ALA HA H 15 4.190 4.093 0.097 1
1 177 . 18 1 1 A 16 16 ALA C C 15 180.100 179.843 0.257 1
1 178 . 18 1 1 A 16 16 ALA CA C 15 54.500 54.932 -0.432 1
1 179 . 18 1 1 A 16 16 ALA CB C 15 18.000 17.953 0.047 1
1 180 . 18 1 1 A 16 16 ALA N N 15 122.000 120.711 1.289 1
1 181 . 18 1 1 A 17 17 GLU H H 16 8.010 7.908 0.102 1
1 182 . 18 1 1 A 17 17 GLU HA H 16 4.160 4.043 0.117 1
1 187 . 18 1 1 A 17 17 GLU C C 16 178.100 179.353 -1.253 1
1 188 . 18 1 1 A 17 17 GLU CA C 16 58.100 59.250 -1.150 1
1 189 . 18 1 1 A 17 17 GLU CB C 16 28.900 29.483 -0.583 1
1 191 . 18 1 1 A 17 17 GLU N N 16 118.500 118.659 -0.159 1
1 192 . 18 1 1 A 18 18 LEU H H 17 7.890 7.824 0.066 1
1 193 . 18 1 1 A 18 18 LEU HA H 17 4.200 4.285 -0.085 1
1 203 . 18 1 1 A 18 18 LEU C C 17 178.700 176.644 2.056 1
1 204 . 18 1 1 A 18 18 LEU CA C 17 56.900 56.657 0.243 1
1 205 . 18 1 1 A 18 18 LEU CB C 17 42.100 42.949 -0.849 1
1 209 . 18 1 1 A 18 18 LEU N N 17 120.400 120.409 -0.009 1
1 210 . 18 1 1 A 19 19 GLN H H 18 8.020 8.018 0.002 1
1 211 . 18 1 1 A 19 19 GLN HA H 18 4.200 3.980 0.220 1
1 216 . 18 1 1 A 19 19 GLN C C 18 176.700 174.830 1.870 1
1 217 . 18 1 1 A 19 19 GLN CA C 18 56.900 57.126 -0.226 1
1 218 . 18 1 1 A 19 19 GLN CB C 18 28.800 28.036 0.764 1
1 220 . 18 1 1 A 19 19 GLN N N 18 118.500 118.546 -0.046 1
1 221 . 18 1 1 A 20 20 ALA H H 19 7.850 8.286 -0.436 1
1 222 . 18 1 1 A 20 20 ALA HA H 19 4.240 3.990 0.250 1
1 226 . 18 1 1 A 20 20 ALA C C 19 178.000 176.694 1.306 1
1 227 . 18 1 1 A 20 20 ALA CA C 19 53.100 53.239 -0.139 1
1 228 . 18 1 1 A 20 20 ALA CB C 19 18.700 17.365 1.335 1
1 229 . 18 1 1 A 20 20 ALA N N 19 122.700 117.814 4.886 1
1 230 . 18 1 1 A 21 21 LYS H H 20 7.950 7.851 0.099 1
1 231 . 18 1 1 A 21 21 LYS HA H 20 4.260 4.404 -0.144 1
1 238 . 18 1 1 A 21 21 LYS C C 20 176.600 175.798 0.802 1
1 239 . 18 1 1 A 21 21 LYS CA C 20 56.500 56.187 0.313 1
1 240 . 18 1 1 A 21 21 LYS CB C 20 32.600 32.696 -0.096 1
1 244 . 18 1 1 A 21 21 LYS N N 20 118.800 114.800 4.000 1
1 245 . 18 1 1 A 22 22 HIS H H 21 8.320 8.433 -0.113 1
1 246 . 18 1 1 A 22 22 HIS HA H 21 4.730 5.063 -0.333 1
1 249 . 18 1 1 A 22 22 HIS C C 21 174.800 174.219 0.581 1
1 250 . 18 1 1 A 22 22 HIS CA C 21 55.400 53.982 1.418 1
1 251 . 18 1 1 A 22 22 HIS CB C 21 28.800 29.253 -0.453 1
1 252 . 18 1 1 A 22 22 HIS N N 21 118.600 118.174 0.426 1
1 253 . 18 1 1 A 23 23 GLY H H 22 8.360 7.980 0.380 1
1 254 . 18 1 1 A 23 23 GLY HA2 H 22 3.960 4.035 -0.075 1
1 255 . 18 1 1 A 23 23 GLY HA3 H 22 3.960 4.070 -0.110 1
1 256 . 18 1 1 A 23 23 GLY C C 22 173.200 173.195 0.005 1
1 257 . 18 1 1 A 23 23 GLY CA C 22 45.000 45.645 -0.645 1
1 258 . 18 1 1 A 23 23 GLY N N 22 109.600 107.694 1.906 1
1 259 . 18 1 1 A 24 24 ASP H H 23 8.320 7.689 0.631 1
1 260 . 18 1 1 A 24 24 ASP HA H 23 4.940 5.287 -0.347 1
1 263 . 18 1 1 A 24 24 ASP C C 23 174.900 175.598 -0.698 1
1 264 . 18 1 1 A 24 24 ASP CA C 23 52.200 51.410 0.790 1
1 265 . 18 1 1 A 24 24 ASP CB C 23 41.300 43.779 -2.479 1
1 266 . 18 1 1 A 24 24 ASP N N 23 121.600 117.112 4.488 1
1 267 . 18 1 1 A 25 25 PRO HA H 24 4.430 4.466 -0.036 1
1 274 . 18 1 1 A 25 25 PRO C C 24 177.800 177.071 0.729 1
1 275 . 18 1 1 A 25 25 PRO CA C 24 64.100 64.420 -0.320 1
1 276 . 18 1 1 A 25 25 PRO CB C 24 31.900 32.079 -0.179 1
1 279 . 18 1 1 A 26 26 GLY H H 25 8.520 7.883 0.637 1
1 280 . 18 1 1 A 26 26 GLY HA2 H 25 3.940 4.061 -0.121 1
1 281 . 18 1 1 A 26 26 GLY HA3 H 25 3.940 4.063 -0.123 1
1 282 . 18 1 1 A 26 26 GLY C C 25 174.400 174.469 -0.069 1
1 283 . 18 1 1 A 26 26 GLY CA C 25 45.500 44.362 1.138 1
1 284 . 18 1 1 A 26 26 GLY N N 25 108.300 108.164 0.136 1
1 285 . 18 1 1 A 27 27 ASP H H 26 8.100 8.920 -0.820 1
1 286 . 18 1 1 A 27 27 ASP HA H 26 4.610 4.297 0.313 1
1 289 . 18 1 1 A 27 27 ASP C C 26 176.900 177.600 -0.700 1
1 290 . 18 1 1 A 27 27 ASP CA C 26 54.800 57.439 -2.639 1
1 291 . 18 1 1 A 27 27 ASP CB C 26 40.800 40.781 0.019 1
1 292 . 18 1 1 A 27 27 ASP N N 26 120.700 121.763 -1.063 1
1 293 . 18 1 1 A 28 28 ALA H H 27 8.320 8.058 0.262 1
1 294 . 18 1 1 A 28 28 ALA HA H 27 4.180 4.119 0.061 1
1 298 . 18 1 1 A 28 28 ALA C C 27 179.300 180.123 -0.823 1
1 299 . 18 1 1 A 28 28 ALA CA C 27 54.600 54.717 -0.117 1
1 300 . 18 1 1 A 28 28 ALA CB C 27 18.400 18.238 0.162 1
1 301 . 18 1 1 A 28 28 ALA N N 27 124.100 120.811 3.289 1
1 302 . 18 1 1 A 29 29 ALA H H 28 8.250 7.849 0.401 1
1 303 . 18 1 1 A 29 29 ALA HA H 28 4.230 4.257 -0.027 1
1 307 . 18 1 1 A 29 29 ALA C C 28 180.000 179.732 0.268 1
1 308 . 18 1 1 A 29 29 ALA CA C 28 54.300 54.878 -0.578 1
1 309 . 18 1 1 A 29 29 ALA CB C 28 18.200 18.366 -0.166 1
1 310 . 18 1 1 A 29 29 ALA N N 28 121.200 120.754 0.446 1
1 311 . 18 1 1 A 30 30 GLN H H 29 8.120 8.056 0.064 1
1 312 . 18 1 1 A 30 30 GLN HA H 29 4.230 4.045 0.185 1
1 317 . 18 1 1 A 30 30 GLN C C 29 177.900 178.872 -0.972 1
1 318 . 18 1 1 A 30 30 GLN CA C 29 57.800 58.330 -0.530 1
1 319 . 18 1 1 A 30 30 GLN CB C 29 28.600 28.423 0.177 1
1 321 . 18 1 1 A 30 30 GLN N N 29 118.800 117.915 0.885 1
1 322 . 18 1 1 A 31 31 GLN H H 30 8.240 7.773 0.467 1
1 323 . 18 1 1 A 31 31 GLN HA H 30 4.120 4.059 0.061 1
1 328 . 18 1 1 A 31 31 GLN C C 30 178.100 178.418 -0.318 1
1 329 . 18 1 1 A 31 31 GLN CA C 30 58.000 59.135 -1.135 1
1 330 . 18 1 1 A 31 31 GLN CB C 30 28.500 28.695 -0.195 1
1 332 . 18 1 1 A 31 31 GLN N N 30 119.600 120.427 -0.827 1
1 333 . 18 1 1 A 32 32 GLU H H 31 8.300 7.784 0.516 1
1 334 . 18 1 1 A 32 32 GLU HA H 31 4.190 4.004 0.186 1
1 339 . 18 1 1 A 32 32 GLU C C 31 178.100 179.109 -1.009 1
1 340 . 18 1 1 A 32 32 GLU CA C 31 58.600 59.117 -0.517 1
1 341 . 18 1 1 A 32 32 GLU CB C 31 28.800 29.199 -0.399 1
1 343 . 18 1 1 A 32 32 GLU N N 31 120.800 119.480 1.320 1
1 344 . 18 1 1 A 33 33 ALA H H 32 8.070 8.493 -0.423 1
1 345 . 18 1 1 A 33 33 ALA HA H 32 4.160 4.071 0.089 1
1 349 . 18 1 1 A 33 33 ALA C C 32 179.900 179.597 0.303 1
1 350 . 18 1 1 A 33 33 ALA CA C 32 54.900 55.060 -0.160 1
1 351 . 18 1 1 A 33 33 ALA CB C 32 18.200 18.505 -0.305 1
1 352 . 18 1 1 A 33 33 ALA N N 32 123.000 122.371 0.629 1
1 353 . 18 1 1 A 34 34 LYS H H 33 8.050 8.318 -0.268 1
1 354 . 18 1 1 A 34 34 LYS HA H 33 4.150 4.094 0.056 1
1 363 . 18 1 1 A 34 34 LYS C C 33 178.900 178.840 0.060 1
1 364 . 18 1 1 A 34 34 LYS CA C 33 58.600 59.284 -0.684 1
1 365 . 18 1 1 A 34 34 LYS CB C 33 32.300 32.084 0.216 1
1 369 . 18 1 1 A 34 34 LYS N N 33 118.600 119.675 -1.075 1
1 370 . 18 1 1 A 35 35 HIS H H 34 8.240 8.215 0.025 1
1 371 . 18 1 1 A 35 35 HIS HA H 34 4.580 4.217 0.363 1
1 374 . 18 1 1 A 35 35 HIS C C 34 176.300 177.101 -0.801 1
1 375 . 18 1 1 A 35 35 HIS CA C 34 57.800 60.256 -2.456 1
1 376 . 18 1 1 A 35 35 HIS CB C 34 28.300 29.592 -1.292 1
1 377 . 18 1 1 A 35 35 HIS N N 34 119.100 119.395 -0.295 1
1 378 . 18 1 1 A 36 36 ARG H H 35 8.390 8.646 -0.256 1
1 379 . 18 1 1 A 36 36 ARG HA H 35 4.160 4.355 -0.195 1
1 386 . 18 1 1 A 36 36 ARG C C 35 178.500 178.523 -0.023 1
1 387 . 18 1 1 A 36 36 ARG CA C 35 58.800 59.542 -0.742 1
1 388 . 18 1 1 A 36 36 ARG CB C 35 29.200 29.868 -0.668 1
1 391 . 18 1 1 A 36 36 ARG N N 35 120.600 119.441 1.159 1
1 392 . 18 1 1 A 37 37 GLU H H 36 8.240 8.514 -0.274 1
1 393 . 18 1 1 A 37 37 GLU HA H 36 4.080 4.067 0.013 1
1 398 . 18 1 1 A 37 37 GLU C C 36 178.200 178.792 -0.592 1
1 399 . 18 1 1 A 37 37 GLU CA C 36 59.100 59.034 0.066 1
1 400 . 18 1 1 A 37 37 GLU CB C 36 29.100 29.613 -0.513 1
1 402 . 18 1 1 A 37 37 GLU N N 36 120.400 119.298 1.102 1
1 403 . 18 1 1 A 38 38 ALA H H 37 7.980 7.802 0.178 1
1 404 . 18 1 1 A 38 38 ALA HA H 37 4.100 4.080 0.020 1
1 408 . 18 1 1 A 38 38 ALA C C 37 179.800 179.833 -0.033 1
1 409 . 18 1 1 A 38 38 ALA CA C 37 55.100 54.871 0.229 1
1 410 . 18 1 1 A 38 38 ALA CB C 37 18.000 18.227 -0.227 1
1 411 . 18 1 1 A 38 38 ALA N N 37 122.000 122.309 -0.309 1
1 412 . 18 1 1 A 39 39 GLU H H 38 8.050 7.779 0.271 1
1 413 . 18 1 1 A 39 39 GLU HA H 38 4.120 3.969 0.151 1
1 418 . 18 1 1 A 39 39 GLU C C 38 179.000 179.719 -0.719 1
1 419 . 18 1 1 A 39 39 GLU CA C 38 58.800 59.541 -0.741 1
1 420 . 18 1 1 A 39 39 GLU CB C 38 29.100 29.498 -0.398 1
1 422 . 18 1 1 A 39 39 GLU N N 38 118.200 117.969 0.231 1
1 423 . 18 1 1 A 40 40 MET H H 39 8.130 8.802 -0.672 1
1 424 . 18 1 1 A 40 40 MET HA H 39 4.200 4.089 0.111 1
1 429 . 18 1 1 A 40 40 MET C C 39 178.200 178.954 -0.754 1
1 430 . 18 1 1 A 40 40 MET CA C 39 58.100 59.757 -1.657 1
1 431 . 18 1 1 A 40 40 MET CB C 39 32.300 32.946 -0.646 1
1 433 . 18 1 1 A 40 40 MET N N 39 120.300 119.306 0.994 1
1 434 . 18 1 1 A 41 41 ARG HA H 40 3.890 4.133 -0.243 1
1 441 . 18 1 1 A 41 41 ARG C C 40 177.700 178.772 -1.072 1
1 442 . 18 1 1 A 41 41 ARG CA C 40 59.500 59.439 0.061 1
1 443 . 18 1 1 A 41 41 ARG CB C 40 30.300 29.970 0.330 1
1 444 . 18 1 1 A 42 42 ASN H H 41 8.190 8.803 -0.613 1
1 445 . 18 1 1 A 42 42 ASN HA H 41 4.440 4.435 0.005 1
1 450 . 18 1 1 A 42 42 ASN C C 41 177.700 177.612 0.088 1
1 451 . 18 1 1 A 42 42 ASN CA C 41 55.900 56.776 -0.876 1
1 452 . 18 1 1 A 42 42 ASN CB C 41 38.100 39.686 -1.586 1
1 453 . 18 1 1 A 42 42 ASN N N 41 116.300 118.747 -2.447 1
1 455 . 18 1 1 A 43 43 SER H H 42 8.130 8.301 -0.171 1
1 456 . 18 1 1 A 43 43 SER HA H 42 4.300 4.116 0.184 1
1 459 . 18 1 1 A 43 43 SER C C 42 176.600 176.927 -0.327 1
1 460 . 18 1 1 A 43 43 SER CA C 42 61.200 62.475 -1.275 1
1 461 . 18 1 1 A 43 43 SER CB C 42 63.100 63.166 -0.066 1
1 462 . 18 1 1 A 43 43 SER N N 42 116.300 116.558 -0.258 1
1 463 . 18 1 1 A 44 44 ILE H H 43 7.940 7.371 0.569 1
1 464 . 18 1 1 A 44 44 ILE HA H 43 3.860 3.814 0.046 1
1 474 . 18 1 1 A 44 44 ILE C C 43 178.400 178.474 -0.074 1
1 475 . 18 1 1 A 44 44 ILE CA C 43 64.500 64.471 0.029 1
1 476 . 18 1 1 A 44 44 ILE CB C 43 37.900 37.531 0.369 1
1 480 . 18 1 1 A 44 44 ILE N N 43 122.500 118.763 3.737 1
1 481 . 18 1 1 A 45 45 LEU H H 44 8.070 8.673 -0.603 1
1 482 . 18 1 1 A 45 45 LEU HA H 44 3.940 4.145 -0.205 1
1 492 . 18 1 1 A 45 45 LEU C C 44 178.200 179.665 -1.465 1
1 493 . 18 1 1 A 45 45 LEU CA C 44 58.100 56.939 1.161 1
1 494 . 18 1 1 A 45 45 LEU CB C 44 41.100 40.587 0.513 1
1 498 . 18 1 1 A 45 45 LEU N N 44 119.100 122.164 -3.064 1
1 499 . 18 1 1 A 46 46 ALA H H 45 7.760 7.860 -0.100 1
1 500 . 18 1 1 A 46 46 ALA HA H 45 4.100 4.063 0.037 1
1 504 . 18 1 1 A 46 46 ALA C C 45 178.700 178.412 0.288 1
1 505 . 18 1 1 A 46 46 ALA CA C 45 54.100 54.891 -0.791 1
1 506 . 18 1 1 A 46 46 ALA CB C 45 18.100 18.177 -0.077 1
1 507 . 18 1 1 A 46 46 ALA N N 45 117.600 122.026 -4.426 1
1 508 . 18 1 1 A 47 47 GLN H H 46 7.570 7.599 -0.029 1
1 509 . 18 1 1 A 47 47 GLN HA H 46 4.270 4.363 -0.093 1
1 514 . 18 1 1 A 47 47 GLN C C 46 177.800 177.311 0.489 1
1 515 . 18 1 1 A 47 47 GLN CA C 46 57.300 56.696 0.604 1
1 516 . 18 1 1 A 47 47 GLN CB C 46 29.500 29.186 0.314 1
1 518 . 18 1 1 A 47 47 GLN N N 46 114.300 115.389 -1.089 1
1 519 . 18 1 1 A 48 48 VAL H H 47 7.690 7.728 -0.038 1
1 520 . 18 1 1 A 48 48 VAL HA H 47 4.380 4.040 0.340 1
1 528 . 18 1 1 A 48 48 VAL C C 47 174.400 175.591 -1.191 1
1 529 . 18 1 1 A 48 48 VAL CA C 47 62.600 64.429 -1.829 1
1 530 . 18 1 1 A 48 48 VAL CB C 47 32.800 32.859 -0.059 1
1 533 . 18 1 1 A 48 48 VAL N N 47 111.900 115.907 -4.007 1
1 534 . 18 1 1 A 49 49 LEU H H 48 7.480 7.985 -0.505 1
1 535 . 18 1 1 A 49 49 LEU HA H 48 4.910 4.641 0.269 1
1 545 . 18 1 1 A 49 49 LEU C C 48 177.000 175.983 1.017 1
1 546 . 18 1 1 A 49 49 LEU CA C 48 53.700 53.309 0.391 1
1 547 . 18 1 1 A 49 49 LEU CB C 48 44.500 43.072 1.428 1
1 551 . 18 1 1 A 49 49 LEU N N 48 119.600 118.104 1.496 1
1 552 . 18 1 1 A 50 50 ASP H H 49 8.430 8.924 -0.494 1
1 553 . 18 1 1 A 50 50 ASP HA H 49 4.630 4.534 0.096 1
1 556 . 18 1 1 A 50 50 ASP C C 49 176.000 177.501 -1.501 1
1 557 . 18 1 1 A 50 50 ASP CA C 49 53.000 54.472 -1.472 1
1 558 . 18 1 1 A 50 50 ASP CB C 49 40.200 42.732 -2.532 1
1 559 . 18 1 1 A 50 50 ASP N N 49 121.200 125.623 -4.423 1
1 560 . 18 1 1 A 51 51 GLN H H 50 8.580 8.808 -0.228 1
1 561 . 18 1 1 A 51 51 GLN HA H 50 3.950 3.948 0.002 1
1 566 . 18 1 1 A 51 51 GLN C C 50 178.800 178.017 0.783 1
1 567 . 18 1 1 A 51 51 GLN CA C 50 60.200 59.546 0.654 1
1 568 . 18 1 1 A 51 51 GLN CB C 50 28.300 28.484 -0.184 1
1 570 . 18 1 1 A 51 51 GLN N N 50 118.200 124.283 -6.083 1
1 571 . 18 1 1 A 52 52 SER H H 51 8.430 8.327 0.103 1
1 572 . 18 1 1 A 52 52 SER HA H 51 4.320 4.174 0.146 1
1 575 . 18 1 1 A 52 52 SER C C 51 177.200 176.297 0.903 1
1 576 . 18 1 1 A 52 52 SER CA C 51 61.500 61.752 -0.252 1
1 577 . 18 1 1 A 52 52 SER CB C 51 62.400 63.247 -0.847 1
1 578 . 18 1 1 A 52 52 SER N N 51 117.000 116.015 0.985 1
1 579 . 18 1 1 A 53 53 ALA H H 52 8.760 7.825 0.935 1
1 580 . 18 1 1 A 53 53 ALA HA H 52 3.960 4.043 -0.083 1
1 584 . 18 1 1 A 53 53 ALA C C 52 178.900 179.249 -0.349 1
1 585 . 18 1 1 A 53 53 ALA CA C 52 55.400 55.000 0.400 1
1 586 . 18 1 1 A 53 53 ALA CB C 52 19.200 18.317 0.883 1
1 587 . 18 1 1 A 53 53 ALA N N 52 127.400 123.547 3.853 1
1 588 . 18 1 1 A 54 54 ARG H H 53 8.640 8.580 0.060 1
1 589 . 18 1 1 A 54 54 ARG HA H 53 3.880 3.892 -0.012 1
1 596 . 18 1 1 A 54 54 ARG C C 53 179.000 178.505 0.495 1
1 597 . 18 1 1 A 54 54 ARG CA C 53 59.700 59.672 0.028 1
1 598 . 18 1 1 A 54 54 ARG CB C 53 29.900 30.268 -0.368 1
1 601 . 18 1 1 A 54 54 ARG N N 53 118.200 117.837 0.363 1
1 602 . 18 1 1 A 55 55 ALA H H 54 7.960 7.839 0.121 1
1 603 . 18 1 1 A 55 55 ALA HA H 54 4.190 4.029 0.161 1
1 607 . 18 1 1 A 55 55 ALA C C 54 180.100 179.368 0.732 1
1 608 . 18 1 1 A 55 55 ALA CA C 54 55.100 55.126 -0.026 1
1 609 . 18 1 1 A 55 55 ALA CB C 54 17.700 18.131 -0.431 1
1 610 . 18 1 1 A 55 55 ALA N N 54 122.200 121.810 0.390 1
1 611 . 18 1 1 A 56 56 ARG H H 55 7.800 7.662 0.138 1
1 612 . 18 1 1 A 56 56 ARG HA H 55 4.160 4.041 0.119 1
1 619 . 18 1 1 A 56 56 ARG C C 55 178.900 178.699 0.201 1
1 620 . 18 1 1 A 56 56 ARG CA C 55 58.300 59.536 -1.236 1
1 621 . 18 1 1 A 56 56 ARG CB C 55 29.100 29.684 -0.584 1
1 624 . 18 1 1 A 56 56 ARG N N 55 119.100 118.542 0.558 1
1 625 . 18 1 1 A 57 57 LEU H H 56 8.390 8.369 0.021 1
1 626 . 18 1 1 A 57 57 LEU HA H 56 4.060 4.082 -0.022 1
1 635 . 18 1 1 A 57 57 LEU C C 56 178.100 178.814 -0.714 1
1 636 . 18 1 1 A 57 57 LEU CA C 56 57.800 57.816 -0.016 1
1 637 . 18 1 1 A 57 57 LEU CB C 56 41.600 41.259 0.341 1
1 641 . 18 1 1 A 57 57 LEU N N 56 120.600 122.286 -1.686 1
1 642 . 18 1 1 A 58 58 SER H H 57 8.150 8.019 0.131 1
1 643 . 18 1 1 A 58 58 SER HA H 57 4.210 4.062 0.148 1
1 646 . 18 1 1 A 58 58 SER C C 57 176.500 176.148 0.352 1
1 647 . 18 1 1 A 58 58 SER CA C 57 61.800 62.085 -0.285 1
1 648 . 18 1 1 A 58 58 SER CB C 57 62.600 62.811 -0.211 1
1 649 . 18 1 1 A 58 58 SER N N 57 114.100 117.017 -2.917 1
1 650 . 18 1 1 A 59 59 ASN H H 58 7.700 7.953 -0.253 1
1 651 . 18 1 1 A 59 59 ASN HA H 58 4.580 4.494 0.086 1
1 656 . 18 1 1 A 59 59 ASN C C 58 178.000 177.793 0.207 1
1 657 . 18 1 1 A 59 59 ASN CA C 58 56.200 56.725 -0.525 1
1 658 . 18 1 1 A 59 59 ASN CB C 58 38.700 38.886 -0.186 1
1 659 . 18 1 1 A 59 59 ASN N N 58 119.500 120.605 -1.105 1
1 661 . 18 1 1 A 60 60 LEU H H 59 8.250 8.258 -0.008 1
1 662 . 18 1 1 A 60 60 LEU HA H 59 4.070 4.013 0.057 1
1 671 . 18 1 1 A 60 60 LEU C C 59 178.400 179.411 -1.011 1
1 672 . 18 1 1 A 60 60 LEU CA C 59 57.500 57.953 -0.453 1
1 673 . 18 1 1 A 60 60 LEU CB C 59 42.100 41.172 0.928 1
1 677 . 18 1 1 A 60 60 LEU N N 59 123.000 119.660 3.340 1
1 678 . 18 1 1 A 61 61 ALA H H 60 8.070 7.909 0.161 1
1 679 . 18 1 1 A 61 61 ALA HA H 60 3.910 4.268 -0.358 1
1 683 . 18 1 1 A 61 61 ALA C C 60 178.400 178.569 -0.169 1
1 684 . 18 1 1 A 61 61 ALA CA C 60 54.600 54.342 0.258 1
1 685 . 18 1 1 A 61 61 ALA CB C 60 18.200 18.404 -0.204 1
1 686 . 18 1 1 A 61 61 ALA N N 60 120.700 122.062 -1.362 1
1 687 . 18 1 1 A 62 62 LEU H H 61 7.170 7.474 -0.304 1
1 688 . 18 1 1 A 62 62 LEU HA H 61 4.200 4.229 -0.029 1
1 695 . 18 1 1 A 62 62 LEU C C 61 178.300 178.529 -0.229 1
1 696 . 18 1 1 A 62 62 LEU CA C 61 56.500 56.594 -0.094 1
1 697 . 18 1 1 A 62 62 LEU CB C 61 42.100 42.219 -0.119 1
1 701 . 18 1 1 A 62 62 LEU N N 61 113.700 117.228 -3.528 1
1 702 . 18 1 1 A 63 63 VAL H H 62 7.330 7.242 0.088 1
1 703 . 18 1 1 A 63 63 VAL HA H 62 4.380 4.162 0.218 1
1 711 . 18 1 1 A 63 63 VAL C C 62 176.200 176.211 -0.011 1
1 712 . 18 1 1 A 63 63 VAL CA C 62 62.800 64.016 -1.216 1
1 713 . 18 1 1 A 63 63 VAL CB C 62 33.900 32.523 1.377 1
1 716 . 18 1 1 A 63 63 VAL N N 62 112.500 112.255 0.245 1
1 717 . 18 1 1 A 64 64 LYS H H 63 8.710 7.958 0.752 1
1 718 . 18 1 1 A 64 64 LYS HA H 63 5.000 4.754 0.246 1
1 727 . 18 1 1 A 64 64 LYS C C 63 174.200 175.109 -0.909 1
1 728 . 18 1 1 A 64 64 LYS CA C 63 53.600 54.065 -0.465 1
1 729 . 18 1 1 A 64 64 LYS CB C 63 33.400 32.950 0.450 1
1 733 . 18 1 1 A 64 64 LYS N N 63 120.400 120.867 -0.467 1
1 734 . 18 1 1 A 65 65 PRO HA H 64 4.360 4.328 0.032 1
1 741 . 18 1 1 A 65 65 PRO C C 64 179.400 178.675 0.725 1
1 742 . 18 1 1 A 65 65 PRO CA C 64 66.000 64.953 1.047 1
1 743 . 18 1 1 A 65 65 PRO CB C 64 31.400 32.087 -0.687 1
1 746 . 18 1 1 A 66 66 GLU H H 65 8.920 8.468 0.452 1
1 747 . 18 1 1 A 66 66 GLU HA H 65 4.200 3.982 0.218 1
1 752 . 18 1 1 A 66 66 GLU C C 65 179.600 179.217 0.383 1
1 753 . 18 1 1 A 66 66 GLU CA C 65 59.400 59.927 -0.527 1
1 754 . 18 1 1 A 66 66 GLU CB C 65 28.300 29.036 -0.736 1
1 756 . 18 1 1 A 66 66 GLU N N 65 118.700 117.614 1.086 1
1 757 . 18 1 1 A 67 67 LYS H H 66 8.000 7.792 0.208 1
1 758 . 18 1 1 A 67 67 LYS HA H 66 4.160 4.176 -0.016 1
1 767 . 18 1 1 A 67 67 LYS C C 66 178.400 179.103 -0.703 1
1 768 . 18 1 1 A 67 67 LYS CA C 66 58.500 58.840 -0.340 1
1 769 . 18 1 1 A 67 67 LYS CB C 66 32.300 32.071 0.229 1
1 773 . 18 1 1 A 67 67 LYS N N 66 121.300 118.977 2.323 1
1 774 . 18 1 1 A 68 68 THR H H 67 7.960 7.835 0.125 1
1 775 . 18 1 1 A 68 68 THR HA H 67 4.130 3.824 0.306 1
1 780 . 18 1 1 A 68 68 THR C C 67 176.200 175.913 0.287 1
1 781 . 18 1 1 A 68 68 THR CA C 67 67.800 67.397 0.403 1
1 782 . 18 1 1 A 68 68 THR CB C 67 67.800 68.183 -0.383 1
1 784 . 18 1 1 A 68 68 THR N N 67 114.200 117.439 -3.239 1
1 785 . 18 1 1 A 69 69 LYS H H 68 7.770 8.522 -0.752 1
1 786 . 18 1 1 A 69 69 LYS HA H 68 3.990 3.931 0.059 1
1 795 . 18 1 1 A 69 69 LYS C C 68 178.100 178.467 -0.367 1
1 796 . 18 1 1 A 69 69 LYS CA C 68 59.400 59.395 0.005 1
1 797 . 18 1 1 A 69 69 LYS CB C 68 31.700 32.348 -0.648 1
1 801 . 18 1 1 A 69 69 LYS N N 68 122.000 121.420 0.580 1
1 802 . 18 1 1 A 70 70 ALA H H 69 7.480 8.014 -0.534 1
1 803 . 18 1 1 A 70 70 ALA HA H 69 4.240 4.011 0.229 1
1 807 . 18 1 1 A 70 70 ALA C C 69 181.200 179.688 1.512 1
1 808 . 18 1 1 A 70 70 ALA CA C 69 55.200 55.168 0.032 1
1 809 . 18 1 1 A 70 70 ALA CB C 69 17.900 18.377 -0.477 1
1 810 . 18 1 1 A 70 70 ALA N N 69 120.300 121.297 -0.997 1
1 811 . 18 1 1 A 71 71 VAL H H 70 8.160 8.109 0.051 1
1 812 . 18 1 1 A 71 71 VAL HA H 70 3.620 3.815 -0.195 1
1 820 . 18 1 1 A 71 71 VAL C C 70 177.400 178.163 -0.763 1
1 821 . 18 1 1 A 71 71 VAL CA C 70 66.600 65.254 1.346 1
1 822 . 18 1 1 A 71 71 VAL CB C 70 31.500 31.611 -0.111 1
1 825 . 18 1 1 A 71 71 VAL N N 70 120.300 116.688 3.612 1
1 826 . 18 1 1 A 72 72 GLU H H 71 8.690 8.965 -0.275 1
1 827 . 18 1 1 A 72 72 GLU HA H 71 3.800 4.005 -0.205 1
1 832 . 18 1 1 A 72 72 GLU C C 71 178.000 179.115 -1.115 1
1 833 . 18 1 1 A 72 72 GLU CA C 71 60.400 59.683 0.717 1
1 834 . 18 1 1 A 72 72 GLU CB C 71 29.200 29.109 0.091 1
1 836 . 18 1 1 A 72 72 GLU N N 71 119.300 122.448 -3.148 1
1 837 . 18 1 1 A 73 73 ASN H H 72 8.460 8.418 0.042 1
1 838 . 18 1 1 A 73 73 ASN HA H 72 4.440 4.469 -0.029 1
1 843 . 18 1 1 A 73 73 ASN C C 72 177.600 177.256 0.344 1
1 844 . 18 1 1 A 73 73 ASN CA C 72 56.200 56.252 -0.052 1
1 845 . 18 1 1 A 73 73 ASN CB C 72 37.600 39.085 -1.485 1
1 846 . 18 1 1 A 73 73 ASN N N 72 115.900 118.575 -2.675 1
1 848 . 18 1 1 A 74 74 TYR H H 73 7.940 7.893 0.047 1
1 849 . 18 1 1 A 74 74 TYR HA H 73 4.200 4.210 -0.010 1
1 856 . 18 1 1 A 74 74 TYR C C 73 177.600 176.938 0.662 1
1 857 . 18 1 1 A 74 74 TYR CA C 73 61.500 61.645 -0.145 1
1 858 . 18 1 1 A 74 74 TYR CB C 73 38.400 38.744 -0.344 1
1 863 . 18 1 1 A 74 74 TYR N N 73 122.400 120.839 1.561 1
1 864 . 18 1 1 A 75 75 LEU H H 74 8.410 8.798 -0.388 1
1 865 . 18 1 1 A 75 75 LEU HA H 74 3.930 4.019 -0.089 1
1 875 . 18 1 1 A 75 75 LEU C C 74 178.500 179.395 -0.895 1
1 876 . 18 1 1 A 75 75 LEU CA C 74 58.100 57.910 0.190 1
1 877 . 18 1 1 A 75 75 LEU CB C 74 42.600 41.430 1.170 1
1 881 . 18 1 1 A 75 75 LEU N N 74 119.500 120.310 -0.810 1
1 882 . 18 1 1 A 76 76 ILE H H 75 8.400 8.374 0.026 1
1 883 . 18 1 1 A 76 76 ILE HA H 75 3.570 3.486 0.084 1
1 890 . 18 1 1 A 76 76 ILE C C 75 178.100 178.251 -0.151 1
1 891 . 18 1 1 A 76 76 ILE CA C 75 65.200 65.589 -0.389 1
1 892 . 18 1 1 A 76 76 ILE CB C 75 37.800 37.749 0.051 1
1 896 . 18 1 1 A 76 76 ILE N N 75 118.600 120.061 -1.461 1
1 897 . 18 1 1 A 77 77 GLN H H 76 7.830 7.985 -0.155 1
1 898 . 18 1 1 A 77 77 GLN HA H 76 3.920 3.852 0.068 1
1 903 . 18 1 1 A 77 77 GLN C C 76 178.100 178.087 0.013 1
1 904 . 18 1 1 A 77 77 GLN CA C 76 59.100 58.834 0.266 1
1 905 . 18 1 1 A 77 77 GLN CB C 76 28.000 28.127 -0.127 1
1 907 . 18 1 1 A 77 77 GLN N N 76 119.300 120.206 -0.906 1
1 908 . 18 1 1 A 78 78 MET H H 77 8.060 8.150 -0.090 1
1 909 . 18 1 1 A 78 78 MET HA H 77 4.040 4.432 -0.392 1
1 912 . 18 1 1 A 78 78 MET C C 77 178.700 178.000 0.700 1
1 913 . 18 1 1 A 78 78 MET CA C 77 58.600 57.955 0.645 1
1 914 . 18 1 1 A 78 78 MET CB C 77 33.000 32.304 0.696 1
1 916 . 18 1 1 A 78 78 MET N N 77 117.600 119.254 -1.654 1
1 917 . 18 1 1 A 79 79 ALA H H 78 8.210 8.682 -0.472 1
1 918 . 18 1 1 A 79 79 ALA HA H 78 4.190 3.955 0.235 1
1 922 . 18 1 1 A 79 79 ALA C C 78 180.600 180.096 0.504 1
1 923 . 18 1 1 A 79 79 ALA CA C 78 54.100 55.485 -1.385 1
1 924 . 18 1 1 A 79 79 ALA CB C 78 18.400 18.407 -0.007 1
1 925 . 18 1 1 A 79 79 ALA N N 78 121.400 121.620 -0.220 1
1 926 . 18 1 1 A 80 80 ARG H H 79 8.120 7.743 0.377 1
1 927 . 18 1 1 A 80 80 ARG HA H 79 3.960 4.024 -0.064 1
1 934 . 18 1 1 A 80 80 ARG C C 79 177.900 177.755 0.145 1
1 935 . 18 1 1 A 80 80 ARG CA C 79 58.800 58.494 0.306 1
1 936 . 18 1 1 A 80 80 ARG CB C 79 29.900 29.463 0.437 1
1 939 . 18 1 1 A 80 80 ARG N N 79 119.100 119.687 -0.587 1
1 940 . 18 1 1 A 81 81 TYR H H 80 7.800 7.506 0.294 1
1 941 . 18 1 1 A 81 81 TYR HA H 80 4.710 4.589 0.121 1
1 948 . 18 1 1 A 81 81 TYR C C 80 176.500 176.178 0.322 1
1 949 . 18 1 1 A 81 81 TYR CA C 80 57.500 58.059 -0.559 1
1 950 . 18 1 1 A 81 81 TYR CB C 80 38.100 38.731 -0.631 1
1 955 . 18 1 1 A 81 81 TYR N N 80 115.900 116.214 -0.314 1
1 956 . 18 1 1 A 82 82 GLY H H 81 7.850 8.162 -0.312 1
1 957 . 18 1 1 A 82 82 GLY HA2 H 81 4.030 3.938 0.092 1
1 958 . 18 1 1 A 82 82 GLY HA3 H 81 4.030 3.938 0.092 1
1 959 . 18 1 1 A 82 82 GLY C C 81 174.900 175.322 -0.422 1
1 960 . 18 1 1 A 82 82 GLY CA C 81 46.300 46.747 -0.447 1
1 961 . 18 1 1 A 82 82 GLY N N 81 108.500 108.921 -0.421 1
1 962 . 18 1 1 A 83 83 GLN H H 82 8.200 8.234 -0.034 1
1 963 . 18 1 1 A 83 83 GLN HA H 82 4.310 4.386 -0.076 1
1 968 . 18 1 1 A 83 83 GLN C C 82 175.500 175.711 -0.211 1
1 969 . 18 1 1 A 83 83 GLN CA C 82 55.700 55.989 -0.289 1
1 970 . 18 1 1 A 83 83 GLN CB C 82 29.400 29.979 -0.579 1
1 972 . 18 1 1 A 83 83 GLN N N 82 116.900 117.433 -0.533 1
1 973 . 18 1 1 A 84 84 LEU H H 83 7.990 7.704 0.286 1
1 974 . 18 1 1 A 84 84 LEU HA H 83 4.610 4.562 0.048 1
1 984 . 18 1 1 A 84 84 LEU C C 83 176.500 176.776 -0.276 1
1 985 . 18 1 1 A 84 84 LEU CA C 83 54.300 54.410 -0.110 1
1 986 . 18 1 1 A 84 84 LEU CB C 83 42.600 40.428 2.172 1
1 990 . 18 1 1 A 84 84 LEU N N 83 121.400 122.425 -1.025 1
1 991 . 18 1 1 A 85 85 SER H H 84 8.630 8.689 -0.059 1
1 992 . 18 1 1 A 85 85 SER HA H 84 4.410 4.601 -0.191 1
1 995 . 18 1 1 A 85 85 SER C C 84 173.700 174.056 -0.356 1
1 996 . 18 1 1 A 85 85 SER CA C 84 59.400 59.146 0.254 1
1 997 . 18 1 1 A 85 85 SER CB C 84 63.900 64.338 -0.438 1
1 998 . 18 1 1 A 85 85 SER N N 84 118.400 121.230 -2.830 1
1 999 . 18 1 1 A 86 86 GLU H H 85 7.690 7.604 0.086 1
1 1000 . 18 1 1 A 86 86 GLU HA H 85 4.530 4.795 -0.265 1
1 1005 . 18 1 1 A 86 86 GLU C C 85 175.400 175.609 -0.209 1
1 1006 . 18 1 1 A 86 86 GLU CA C 85 54.900 55.013 -0.113 1
1 1007 . 18 1 1 A 86 86 GLU CB C 85 31.200 34.799 -3.599 1
1 1009 . 18 1 1 A 86 86 GLU N N 85 119.400 118.701 0.699 1
1 1010 . 18 1 1 A 87 87 LYS H H 86 8.380 8.308 0.072 1
1 1011 . 18 1 1 A 87 87 LYS HA H 86 4.230 4.526 -0.296 1
1 1018 . 18 1 1 A 87 87 LYS C C 86 176.900 177.384 -0.484 1
1 1019 . 18 1 1 A 87 87 LYS CA C 86 57.000 56.087 0.913 1
1 1020 . 18 1 1 A 87 87 LYS CB C 86 33.300 32.994 0.306 1
1 1024 . 18 1 1 A 87 87 LYS N N 86 120.400 121.955 -1.555 1
1 1025 . 18 1 1 A 88 88 VAL H H 87 8.960 9.265 -0.305 1
1 1026 . 18 1 1 A 88 88 VAL HA H 87 3.970 4.174 -0.204 1
1 1034 . 18 1 1 A 88 88 VAL C C 87 174.700 175.710 -1.010 1
1 1035 . 18 1 1 A 88 88 VAL CA C 87 63.300 62.825 0.475 1
1 1036 . 18 1 1 A 88 88 VAL CB C 87 32.400 32.063 0.337 1
1 1038 . 18 1 1 A 88 88 VAL N N 87 125.200 122.621 2.579 1
1 1039 . 18 1 1 A 89 89 SER H H 88 8.190 9.060 -0.870 1
1 1040 . 18 1 1 A 89 89 SER HA H 88 4.990 4.593 0.397 1
1 1043 . 18 1 1 A 89 89 SER C C 88 175.700 175.812 -0.112 1
1 1044 . 18 1 1 A 89 89 SER CA C 88 56.200 57.807 -1.607 1
1 1045 . 18 1 1 A 89 89 SER CB C 88 66.600 64.456 2.144 1
1 1046 . 18 1 1 A 89 89 SER N N 88 121.700 121.879 -0.179 1
1 1047 . 18 1 1 A 90 90 GLU H H 89 9.230 8.816 0.414 1
1 1048 . 18 1 1 A 90 90 GLU HA H 89 3.720 3.970 -0.250 1
1 1053 . 18 1 1 A 90 90 GLU C C 89 177.700 178.443 -0.743 1
1 1054 . 18 1 1 A 90 90 GLU CA C 89 61.200 59.947 1.253 1
1 1055 . 18 1 1 A 90 90 GLU CB C 89 29.100 29.369 -0.269 1
1 1057 . 18 1 1 A 90 90 GLU N N 89 121.600 123.453 -1.853 1
1 1058 . 18 1 1 A 91 91 GLN H H 90 8.430 8.201 0.229 1
1 1059 . 18 1 1 A 91 91 GLN HA H 90 4.040 4.039 0.001 1
1 1066 . 18 1 1 A 91 91 GLN C C 90 178.900 179.496 -0.596 1
1 1067 . 18 1 1 A 91 91 GLN CA C 90 59.100 58.814 0.286 1
1 1068 . 18 1 1 A 91 91 GLN CB C 90 27.800 28.193 -0.393 1
1 1070 . 18 1 1 A 91 91 GLN N N 90 117.100 118.394 -1.294 1
1 1072 . 18 1 1 A 92 92 GLY H H 91 8.080 8.246 -0.166 1
1 1073 . 18 1 1 A 92 92 GLY HA2 H 91 3.890 3.649 0.241 1
1 1074 . 18 1 1 A 92 92 GLY HA3 H 91 3.890 3.657 0.233 1
1 1075 . 18 1 1 A 92 92 GLY C C 91 176.600 175.834 0.766 1
1 1076 . 18 1 1 A 92 92 GLY CA C 91 46.900 47.332 -0.432 1
1 1077 . 18 1 1 A 92 92 GLY N N 91 109.400 109.543 -0.143 1
1 1078 . 18 1 1 A 93 93 LEU H H 92 8.610 8.077 0.533 1
1 1079 . 18 1 1 A 93 93 LEU HA H 92 4.000 4.090 -0.090 1
1 1089 . 18 1 1 A 93 93 LEU C C 92 178.000 178.289 -0.289 1
1 1090 . 18 1 1 A 93 93 LEU CA C 92 57.500 57.357 0.143 1
1 1091 . 18 1 1 A 93 93 LEU CB C 92 41.800 41.454 0.346 1
1 1095 . 18 1 1 A 93 93 LEU N N 92 123.700 122.120 1.580 1
1 1096 . 18 1 1 A 94 94 ILE H H 93 7.970 8.460 -0.490 1
1 1097 . 18 1 1 A 94 94 ILE HA H 93 3.640 3.554 0.086 1
1 1107 . 18 1 1 A 94 94 ILE C C 93 178.500 178.262 0.238 1
1 1108 . 18 1 1 A 94 94 ILE CA C 93 64.800 64.900 -0.100 1
1 1109 . 18 1 1 A 94 94 ILE CB C 93 37.100 37.465 -0.365 1
1 1113 . 18 1 1 A 94 94 ILE N N 93 119.900 119.636 0.264 1
1 1114 . 18 1 1 A 95 95 GLU H H 94 7.610 8.145 -0.535 1
1 1115 . 18 1 1 A 95 95 GLU HA H 94 4.090 4.003 0.087 1
1 1120 . 18 1 1 A 95 95 GLU C C 94 179.400 180.059 -0.659 1
1 1121 . 18 1 1 A 95 95 GLU CA C 94 59.200 59.166 0.034 1
1 1122 . 18 1 1 A 95 95 GLU CB C 94 28.800 29.431 -0.631 1
1 1124 . 18 1 1 A 95 95 GLU N N 94 118.800 120.769 -1.969 1
1 1125 . 18 1 1 A 96 96 ILE H H 95 7.840 7.694 0.146 1
1 1126 . 18 1 1 A 96 96 ILE HA H 95 3.520 3.456 0.064 1
1 1136 . 18 1 1 A 96 96 ILE C C 95 177.500 177.810 -0.310 1
1 1137 . 18 1 1 A 96 96 ILE CA C 95 65.500 64.786 0.714 1
1 1138 . 18 1 1 A 96 96 ILE CB C 95 37.900 37.320 0.580 1
1 1142 . 18 1 1 A 96 96 ILE N N 95 121.600 120.564 1.036 1
1 1143 . 18 1 1 A 97 97 LEU H H 96 8.620 8.316 0.304 1
1 1144 . 18 1 1 A 97 97 LEU HA H 96 3.800 3.999 -0.199 1
1 1151 . 18 1 1 A 97 97 LEU C C 96 179.400 178.537 0.863 1
1 1152 . 18 1 1 A 97 97 LEU CA C 96 58.600 58.627 -0.027 1
1 1153 . 18 1 1 A 97 97 LEU CB C 96 41.500 41.821 -0.321 1
1 1156 . 18 1 1 A 97 97 LEU N N 96 120.400 121.758 -1.358 1
1 1157 . 18 1 1 A 98 98 LYS H H 97 7.750 8.498 -0.748 1
1 1158 . 18 1 1 A 98 98 LYS HA H 97 3.990 3.791 0.199 1
1 1167 . 18 1 1 A 98 98 LYS C C 97 178.600 179.073 -0.473 1
1 1168 . 18 1 1 A 98 98 LYS CA C 97 59.400 60.327 -0.927 1
1 1169 . 18 1 1 A 98 98 LYS CB C 97 32.300 32.063 0.237 1
1 1172 . 18 1 1 A 98 98 LYS N N 97 119.000 118.981 0.019 1
1 1173 . 18 1 1 A 99 99 LYS H H 98 7.710 8.004 -0.294 1
1 1174 . 18 1 1 A 99 99 LYS HA H 98 4.110 4.077 0.033 1
1 1183 . 18 1 1 A 99 99 LYS C C 98 179.100 179.104 -0.004 1
1 1184 . 18 1 1 A 99 99 LYS CA C 98 59.100 59.273 -0.173 1
1 1185 . 18 1 1 A 99 99 LYS CB C 98 32.500 32.424 0.076 1
1 1189 . 18 1 1 A 99 99 LYS N N 98 119.500 120.885 -1.385 1
1 1190 . 18 1 1 A 100 100 VAL H H 99 8.210 7.919 0.291 1
1 1191 . 18 1 1 A 100 100 VAL HA H 99 3.920 4.007 -0.087 1
1 1196 . 18 1 1 A 100 100 VAL C C 99 177.600 177.925 -0.325 1
1 1197 . 18 1 1 A 100 100 VAL CA C 99 64.200 64.673 -0.473 1
1 1198 . 18 1 1 A 100 100 VAL CB C 99 31.500 31.122 0.378 1
1 1200 . 18 1 1 A 100 100 VAL N N 99 115.800 117.749 -1.949 1
1 1201 . 18 1 1 A 101 101 SER H H 100 7.900 7.868 0.032 1
1 1202 . 18 1 1 A 101 101 SER HA H 100 4.340 4.212 0.128 1
1 1205 . 18 1 1 A 101 101 SER C C 100 174.600 176.852 -2.252 1
1 1206 . 18 1 1 A 101 101 SER CA C 100 60.400 61.401 -1.001 1
1 1207 . 18 1 1 A 101 101 SER CB C 100 63.600 62.874 0.726 1
1 1208 . 18 1 1 A 101 101 SER N N 100 116.500 117.200 -0.700 1
1 1209 . 18 1 1 A 102 102 GLN H H 101 7.860 8.415 -0.555 1
1 1210 . 18 1 1 A 102 102 GLN HA H 101 4.280 4.071 0.209 1
1 1215 . 18 1 1 A 102 102 GLN C C 101 176.400 177.994 -1.594 1
1 1216 . 18 1 1 A 102 102 GLN CA C 101 56.800 58.938 -2.138 1
1 1217 . 18 1 1 A 102 102 GLN CB C 101 28.900 28.917 -0.017 1
1 1219 . 18 1 1 A 102 102 GLN N N 101 120.100 120.667 -0.567 1
1 1220 . 18 1 1 A 103 103 GLN H H 102 8.080 7.840 0.240 1
1 1221 . 18 1 1 A 103 103 GLN HA H 102 4.360 4.387 -0.027 1
1 1226 . 18 1 1 A 103 103 GLN C C 102 176.500 175.699 0.801 1
1 1227 . 18 1 1 A 103 103 GLN CA C 102 56.700 56.365 0.335 1
1 1228 . 18 1 1 A 103 103 GLN CB C 102 29.000 29.671 -0.671 1
1 1230 . 18 1 1 A 103 103 GLN N N 102 119.700 115.656 4.044 1
1 1231 . 18 1 1 A 104 104 THR H H 103 8.070 8.159 -0.089 1
1 1232 . 18 1 1 A 104 104 THR HA H 103 4.350 3.898 0.452 1
1 1237 . 18 1 1 A 104 104 THR C C 103 174.700 173.058 1.642 1
1 1238 . 18 1 1 A 104 104 THR CA C 103 62.500 62.421 0.079 1
1 1239 . 18 1 1 A 104 104 THR CB C 103 69.800 66.686 3.114 1
1 1241 . 18 1 1 A 104 104 THR N N 103 113.900 111.006 2.894 1
1 1242 . 18 1 1 A 105 105 GLU H H 104 8.290 8.144 0.146 1
1 1243 . 18 1 1 A 105 105 GLU HA H 104 4.350 4.772 -0.422 1
1 1248 . 18 1 1 A 105 105 GLU C C 104 176.300 175.686 0.614 1
1 1249 . 18 1 1 A 105 105 GLU CA C 104 56.700 55.823 0.877 1
1 1250 . 18 1 1 A 105 105 GLU CB C 104 29.900 30.474 -0.574 1
1 1252 . 18 1 1 A 105 105 GLU N N 104 122.900 121.737 1.163 1
1 1253 . 18 1 1 A 106 106 LYS H H 105 8.320 8.683 -0.363 1
1 1254 . 18 1 1 A 106 106 LYS HA H 105 4.390 5.011 -0.621 1
1 1263 . 18 1 1 A 106 106 LYS C C 105 176.800 175.581 1.219 1
1 1264 . 18 1 1 A 106 106 LYS CA C 105 56.700 54.993 1.707 1
1 1265 . 18 1 1 A 106 106 LYS CB C 105 32.800 35.781 -2.981 1
1 1269 . 18 1 1 A 106 106 LYS N N 105 121.900 127.880 -5.980 1
1 1270 . 18 1 1 A 107 107 THR H H 106 8.150 8.998 -0.848 1
1 1271 . 18 1 1 A 107 107 THR HA H 106 4.430 4.641 -0.211 1
1 1276 . 18 1 1 A 107 107 THR C C 106 174.600 173.593 1.007 1
1 1277 . 18 1 1 A 107 107 THR CA C 106 62.000 61.813 0.187 1
1 1278 . 18 1 1 A 107 107 THR CB C 106 70.000 66.656 3.344 1
1 1280 . 18 1 1 A 107 107 THR N N 106 115.000 120.607 -5.607 1
1 1281 . 18 1 1 A 108 108 THR H H 107 8.190 7.992 0.198 1
1 1282 . 18 1 1 A 108 108 THR HA H 107 4.440 5.026 -0.586 1
1 1287 . 18 1 1 A 108 108 THR C C 107 174.500 173.348 1.152 1
1 1288 . 18 1 1 A 108 108 THR CA C 107 62.000 61.803 0.197 1
1 1289 . 18 1 1 A 108 108 THR CB C 107 69.800 71.047 -1.247 1
1 1291 . 18 1 1 A 108 108 THR N N 107 116.500 119.604 -3.104 1
1 1292 . 18 1 1 A 109 109 THR H H 108 8.170 8.819 -0.649 1
1 1293 . 18 1 1 A 109 109 THR HA H 108 4.350 4.692 -0.342 1
1 1298 . 18 1 1 A 109 109 THR C C 108 174.200 174.893 -0.693 1
1 1299 . 18 1 1 A 109 109 THR CA C 108 62.000 61.469 0.531 1
1 1300 . 18 1 1 A 109 109 THR CB C 108 69.800 68.341 1.459 1
1 1302 . 18 1 1 A 109 109 THR N N 108 117.200 122.834 -5.634 1
1 1303 . 18 1 1 A 110 110 VAL H H 109 8.100 8.652 -0.552 1
1 1304 . 18 1 1 A 110 110 VAL HA H 109 4.040 3.736 0.304 1
1 1312 . 18 1 1 A 110 110 VAL C C 109 175.200 174.413 0.787 1
1 1313 . 18 1 1 A 110 110 VAL CA C 109 62.300 65.448 -3.148 1
1 1314 . 18 1 1 A 110 110 VAL CB C 109 32.600 30.156 2.444 1
1 1316 . 18 1 1 A 110 110 VAL N N 109 123.100 121.078 2.022 1
1 1317 . 18 1 1 A 111 111 LYS H H 110 8.200 8.043 0.157 1
1 1318 . 18 1 1 A 111 111 LYS HA H 110 4.310 4.791 -0.481 1
1 1327 . 18 1 1 A 111 111 LYS C C 110 175.700 176.009 -0.309 1
1 1328 . 18 1 1 A 111 111 LYS CA C 110 55.700 55.408 0.292 1
1 1329 . 18 1 1 A 111 111 LYS CB C 110 33.300 35.847 -2.547 1
1 1333 . 18 1 1 A 111 111 LYS N N 110 125.200 119.555 5.645 1
1 1334 . 18 1 1 A 112 112 PHE H H 111 8.310 8.846 -0.536 1
1 1335 . 18 1 1 A 112 112 PHE HA H 111 4.650 3.992 0.658 1
1 1338 . 18 1 1 A 112 112 PHE C C 111 174.500 174.746 -0.246 1
1 1339 . 18 1 1 A 112 112 PHE CA C 111 57.500 61.731 -4.231 1
1 1340 . 18 1 1 A 112 112 PHE CB C 111 39.700 39.697 0.003 1
1 1341 . 18 1 1 A 112 112 PHE N N 111 122.100 126.176 -4.076 1
1 1 . 19 1 1 A 2 2 SER H H 1 8.780 8.290 0.490 1
1 2 . 19 1 1 A 2 2 SER HA H 1 4.480 4.706 -0.226 1
1 5 . 19 1 1 A 2 2 SER C C 1 175.000 175.270 -0.270 1
1 6 . 19 1 1 A 2 2 SER CA C 1 59.100 55.689 3.411 1
1 7 . 19 1 1 A 2 2 SER CB C 1 63.900 64.946 -1.046 1
1 8 . 19 1 1 A 2 2 SER N N 1 116.600 115.074 1.526 1
1 9 . 19 1 1 A 3 3 ALA H H 2 8.710 9.085 -0.375 1
1 10 . 19 1 1 A 3 3 ALA HA H 2 4.310 4.083 0.227 1
1 14 . 19 1 1 A 3 3 ALA C C 2 178.800 179.163 -0.363 1
1 15 . 19 1 1 A 3 3 ALA CA C 2 53.800 55.630 -1.830 1
1 16 . 19 1 1 A 3 3 ALA CB C 2 18.500 18.566 -0.066 1
1 17 . 19 1 1 A 3 3 ALA N N 2 125.500 129.649 -4.149 1
1 18 . 19 1 1 A 4 4 ASP H H 3 8.190 8.319 -0.129 1
1 19 . 19 1 1 A 4 4 ASP HA H 3 4.500 4.373 0.127 1
1 22 . 19 1 1 A 4 4 ASP C C 3 177.700 178.373 -0.673 1
1 23 . 19 1 1 A 4 4 ASP CA C 3 55.900 57.059 -1.159 1
1 24 . 19 1 1 A 4 4 ASP CB C 3 40.500 41.112 -0.612 1
1 25 . 19 1 1 A 4 4 ASP N N 3 117.800 118.338 -0.538 1
1 26 . 19 1 1 A 5 5 GLU H H 4 8.150 8.338 -0.188 1
1 27 . 19 1 1 A 5 5 GLU HA H 4 4.140 4.054 0.086 1
1 32 . 19 1 1 A 5 5 GLU C C 4 178.600 179.284 -0.684 1
1 33 . 19 1 1 A 5 5 GLU CA C 4 58.600 59.382 -0.782 1
1 34 . 19 1 1 A 5 5 GLU CB C 4 29.100 29.307 -0.207 1
1 36 . 19 1 1 A 5 5 GLU N N 4 120.800 119.402 1.398 1
1 37 . 19 1 1 A 6 6 GLU H H 5 8.250 8.552 -0.302 1
1 38 . 19 1 1 A 6 6 GLU HA H 5 4.200 4.067 0.133 1
1 43 . 19 1 1 A 6 6 GLU C C 5 178.300 179.316 -1.016 1
1 44 . 19 1 1 A 6 6 GLU CA C 5 58.600 59.190 -0.590 1
1 45 . 19 1 1 A 6 6 GLU CB C 5 28.800 29.332 -0.532 1
1 47 . 19 1 1 A 6 6 GLU N N 5 120.800 119.783 1.017 1
1 48 . 19 1 1 A 7 7 LEU H H 6 7.990 8.349 -0.359 1
1 49 . 19 1 1 A 7 7 LEU HA H 6 4.170 4.096 0.074 1
1 58 . 19 1 1 A 7 7 LEU C C 6 179.500 178.323 1.177 1
1 59 . 19 1 1 A 7 7 LEU CA C 6 57.500 57.925 -0.425 1
1 60 . 19 1 1 A 7 7 LEU CB C 6 41.600 42.151 -0.551 1
1 64 . 19 1 1 A 7 7 LEU N N 6 120.900 122.254 -1.354 1
1 65 . 19 1 1 A 8 8 GLU H H 7 8.130 8.641 -0.511 1
1 66 . 19 1 1 A 8 8 GLU HA H 7 4.160 3.943 0.217 1
1 71 . 19 1 1 A 8 8 GLU C C 7 178.300 178.424 -0.124 1
1 72 . 19 1 1 A 8 8 GLU CA C 7 58.800 59.760 -0.960 1
1 73 . 19 1 1 A 8 8 GLU CB C 7 28.800 29.396 -0.596 1
1 75 . 19 1 1 A 8 8 GLU N N 7 120.100 119.345 0.755 1
1 76 . 19 1 1 A 9 9 ALA H H 8 8.030 7.849 0.181 1
1 77 . 19 1 1 A 9 9 ALA HA H 8 4.090 4.122 -0.032 1
1 81 . 19 1 1 A 9 9 ALA C C 8 180.500 179.476 1.024 1
1 82 . 19 1 1 A 9 9 ALA CA C 8 55.100 55.038 0.062 1
1 83 . 19 1 1 A 9 9 ALA CB C 8 17.900 18.244 -0.344 1
1 84 . 19 1 1 A 9 9 ALA N N 8 122.100 122.203 -0.103 1
1 85 . 19 1 1 A 10 10 LEU H H 9 7.890 7.828 0.062 1
1 86 . 19 1 1 A 10 10 LEU HA H 9 4.160 4.148 0.012 1
1 95 . 19 1 1 A 10 10 LEU C C 9 179.200 178.454 0.746 1
1 96 . 19 1 1 A 10 10 LEU CA C 9 57.500 56.959 0.541 1
1 97 . 19 1 1 A 10 10 LEU CB C 9 41.800 41.823 -0.023 1
1 101 . 19 1 1 A 10 10 LEU N N 9 119.500 119.980 -0.480 1
1 102 . 19 1 1 A 11 11 ARG H H 10 8.080 8.231 -0.151 1
1 103 . 19 1 1 A 11 11 ARG HA H 10 4.010 3.971 0.039 1
1 110 . 19 1 1 A 11 11 ARG C C 10 178.900 178.840 0.060 1
1 111 . 19 1 1 A 11 11 ARG CA C 10 59.400 59.307 0.093 1
1 112 . 19 1 1 A 11 11 ARG CB C 10 30.100 29.814 0.286 1
1 115 . 19 1 1 A 11 11 ARG N N 10 120.400 119.571 0.829 1
1 116 . 19 1 1 A 12 12 ARG H H 11 8.170 8.157 0.013 1
1 117 . 19 1 1 A 12 12 ARG HA H 11 4.040 4.177 -0.137 1
1 124 . 19 1 1 A 12 12 ARG C C 11 178.900 178.953 -0.053 1
1 125 . 19 1 1 A 12 12 ARG CA C 11 59.300 59.553 -0.253 1
1 126 . 19 1 1 A 12 12 ARG CB C 11 30.000 29.818 0.182 1
1 129 . 19 1 1 A 12 12 ARG N N 11 118.400 118.645 -0.245 1
1 130 . 19 1 1 A 13 13 GLN H H 12 8.060 7.712 0.348 1
1 131 . 19 1 1 A 13 13 GLN HA H 12 4.150 4.040 0.110 1
1 136 . 19 1 1 A 13 13 GLN C C 12 177.900 178.324 -0.424 1
1 137 . 19 1 1 A 13 13 GLN CA C 12 58.600 59.091 -0.491 1
1 138 . 19 1 1 A 13 13 GLN CB C 12 28.500 28.527 -0.027 1
1 140 . 19 1 1 A 13 13 GLN N N 12 120.400 119.490 0.910 1
1 141 . 19 1 1 A 14 14 ARG H H 13 8.180 7.902 0.278 1
1 142 . 19 1 1 A 14 14 ARG HA H 13 4.160 4.105 0.055 1
1 149 . 19 1 1 A 14 14 ARG C C 13 178.600 178.960 -0.360 1
1 150 . 19 1 1 A 14 14 ARG CA C 13 58.600 58.947 -0.347 1
1 151 . 19 1 1 A 14 14 ARG CB C 13 29.900 29.801 0.099 1
1 154 . 19 1 1 A 14 14 ARG N N 13 119.900 119.089 0.811 1
1 155 . 19 1 1 A 15 15 LEU H H 14 7.980 8.103 -0.123 1
1 156 . 19 1 1 A 15 15 LEU HA H 14 4.180 4.091 0.089 1
1 165 . 19 1 1 A 15 15 LEU C C 14 178.800 178.495 0.305 1
1 166 . 19 1 1 A 15 15 LEU CA C 14 57.300 58.074 -0.774 1
1 167 . 19 1 1 A 15 15 LEU CB C 14 41.700 41.285 0.415 1
1 171 . 19 1 1 A 15 15 LEU N N 14 119.900 121.425 -1.525 1
1 172 . 19 1 1 A 16 16 ALA H H 15 7.930 7.719 0.211 1
1 173 . 19 1 1 A 16 16 ALA HA H 15 4.190 4.130 0.060 1
1 177 . 19 1 1 A 16 16 ALA C C 15 180.100 179.616 0.484 1
1 178 . 19 1 1 A 16 16 ALA CA C 15 54.500 55.140 -0.640 1
1 179 . 19 1 1 A 16 16 ALA CB C 15 18.000 19.002 -1.002 1
1 180 . 19 1 1 A 16 16 ALA N N 15 122.000 121.078 0.922 1
1 181 . 19 1 1 A 17 17 GLU H H 16 8.010 8.494 -0.484 1
1 182 . 19 1 1 A 17 17 GLU HA H 16 4.160 4.109 0.051 1
1 187 . 19 1 1 A 17 17 GLU C C 16 178.100 178.956 -0.856 1
1 188 . 19 1 1 A 17 17 GLU CA C 16 58.100 59.541 -1.441 1
1 189 . 19 1 1 A 17 17 GLU CB C 16 28.900 30.280 -1.380 1
1 191 . 19 1 1 A 17 17 GLU N N 16 118.500 118.056 0.444 1
1 192 . 19 1 1 A 18 18 LEU H H 17 7.890 7.602 0.288 1
1 193 . 19 1 1 A 18 18 LEU HA H 17 4.200 4.280 -0.080 1
1 203 . 19 1 1 A 18 18 LEU C C 17 178.700 176.519 2.181 1
1 204 . 19 1 1 A 18 18 LEU CA C 17 56.900 56.676 0.224 1
1 205 . 19 1 1 A 18 18 LEU CB C 17 42.100 42.925 -0.825 1
1 209 . 19 1 1 A 18 18 LEU N N 17 120.400 119.713 0.687 1
1 210 . 19 1 1 A 19 19 GLN H H 18 8.020 7.720 0.300 1
1 211 . 19 1 1 A 19 19 GLN HA H 18 4.200 4.582 -0.382 1
1 216 . 19 1 1 A 19 19 GLN C C 18 176.700 174.997 1.703 1
1 217 . 19 1 1 A 19 19 GLN CA C 18 56.900 56.621 0.279 1
1 218 . 19 1 1 A 19 19 GLN CB C 18 28.800 27.166 1.634 1
1 220 . 19 1 1 A 19 19 GLN N N 18 118.500 119.014 -0.514 1
1 221 . 19 1 1 A 20 20 ALA H H 19 7.850 7.691 0.159 1
1 222 . 19 1 1 A 20 20 ALA HA H 19 4.240 4.440 -0.200 1
1 226 . 19 1 1 A 20 20 ALA C C 19 178.000 176.955 1.045 1
1 227 . 19 1 1 A 20 20 ALA CA C 19 53.100 51.047 2.053 1
1 228 . 19 1 1 A 20 20 ALA CB C 19 18.700 17.998 0.702 1
1 229 . 19 1 1 A 20 20 ALA N N 19 122.700 121.934 0.766 1
1 230 . 19 1 1 A 21 21 LYS H H 20 7.950 8.364 -0.414 1
1 231 . 19 1 1 A 21 21 LYS HA H 20 4.260 4.315 -0.055 1
1 238 . 19 1 1 A 21 21 LYS C C 20 176.600 175.958 0.642 1
1 239 . 19 1 1 A 21 21 LYS CA C 20 56.500 56.742 -0.242 1
1 240 . 19 1 1 A 21 21 LYS CB C 20 32.600 32.762 -0.162 1
1 244 . 19 1 1 A 21 21 LYS N N 20 118.800 125.812 -7.012 1
1 245 . 19 1 1 A 22 22 HIS H H 21 8.320 8.822 -0.502 1
1 246 . 19 1 1 A 22 22 HIS HA H 21 4.730 4.747 -0.017 1
1 249 . 19 1 1 A 22 22 HIS C C 21 174.800 174.761 0.039 1
1 250 . 19 1 1 A 22 22 HIS CA C 21 55.400 54.540 0.860 1
1 251 . 19 1 1 A 22 22 HIS CB C 21 28.800 27.791 1.009 1
1 252 . 19 1 1 A 22 22 HIS N N 21 118.600 125.811 -7.211 1
1 253 . 19 1 1 A 23 23 GLY H H 22 8.360 8.899 -0.539 1
1 254 . 19 1 1 A 23 23 GLY HA2 H 22 3.960 3.999 -0.039 1
1 255 . 19 1 1 A 23 23 GLY HA3 H 22 3.960 4.016 -0.056 1
1 256 . 19 1 1 A 23 23 GLY C C 22 173.200 174.072 -0.872 1
1 257 . 19 1 1 A 23 23 GLY CA C 22 45.000 46.482 -1.482 1
1 258 . 19 1 1 A 23 23 GLY N N 22 109.600 110.728 -1.128 1
1 259 . 19 1 1 A 24 24 ASP H H 23 8.320 8.613 -0.293 1
1 260 . 19 1 1 A 24 24 ASP HA H 23 4.940 4.947 -0.007 1
1 263 . 19 1 1 A 24 24 ASP C C 23 174.900 176.364 -1.464 1
1 264 . 19 1 1 A 24 24 ASP CA C 23 52.200 52.476 -0.276 1
1 265 . 19 1 1 A 24 24 ASP CB C 23 41.300 40.219 1.081 1
1 266 . 19 1 1 A 24 24 ASP N N 23 121.600 123.334 -1.734 1
1 267 . 19 1 1 A 25 25 PRO HA H 24 4.430 4.502 -0.072 1
1 274 . 19 1 1 A 25 25 PRO C C 24 177.800 175.634 2.166 1
1 275 . 19 1 1 A 25 25 PRO CA C 24 64.100 63.330 0.770 1
1 276 . 19 1 1 A 25 25 PRO CB C 24 31.900 30.860 1.040 1
1 279 . 19 1 1 A 26 26 GLY H H 25 8.520 8.800 -0.280 1
1 280 . 19 1 1 A 26 26 GLY HA2 H 25 3.940 3.893 0.047 1
1 281 . 19 1 1 A 26 26 GLY HA3 H 25 3.940 3.896 0.044 1
1 282 . 19 1 1 A 26 26 GLY C C 25 174.400 174.529 -0.129 1
1 283 . 19 1 1 A 26 26 GLY CA C 25 45.500 45.673 -0.173 1
1 284 . 19 1 1 A 26 26 GLY N N 25 108.300 109.656 -1.356 1
1 285 . 19 1 1 A 27 27 ASP H H 26 8.100 9.008 -0.908 1
1 286 . 19 1 1 A 27 27 ASP HA H 26 4.610 4.466 0.144 1
1 289 . 19 1 1 A 27 27 ASP C C 26 176.900 177.171 -0.271 1
1 290 . 19 1 1 A 27 27 ASP CA C 26 54.800 57.427 -2.627 1
1 291 . 19 1 1 A 27 27 ASP CB C 26 40.800 40.426 0.374 1
1 292 . 19 1 1 A 27 27 ASP N N 26 120.700 125.488 -4.788 1
1 293 . 19 1 1 A 28 28 ALA H H 27 8.320 8.279 0.041 1
1 294 . 19 1 1 A 28 28 ALA HA H 27 4.180 4.073 0.107 1
1 298 . 19 1 1 A 28 28 ALA C C 27 179.300 179.814 -0.514 1
1 299 . 19 1 1 A 28 28 ALA CA C 27 54.600 54.668 -0.068 1
1 300 . 19 1 1 A 28 28 ALA CB C 27 18.400 18.304 0.096 1
1 301 . 19 1 1 A 28 28 ALA N N 27 124.100 120.806 3.294 1
1 302 . 19 1 1 A 29 29 ALA H H 28 8.250 8.158 0.092 1
1 303 . 19 1 1 A 29 29 ALA HA H 28 4.230 4.006 0.224 1
1 307 . 19 1 1 A 29 29 ALA C C 28 180.000 179.645 0.355 1
1 308 . 19 1 1 A 29 29 ALA CA C 28 54.300 55.154 -0.854 1
1 309 . 19 1 1 A 29 29 ALA CB C 28 18.200 18.236 -0.036 1
1 310 . 19 1 1 A 29 29 ALA N N 28 121.200 120.086 1.114 1
1 311 . 19 1 1 A 30 30 GLN H H 29 8.120 7.700 0.420 1
1 312 . 19 1 1 A 30 30 GLN HA H 29 4.230 4.026 0.204 1
1 317 . 19 1 1 A 30 30 GLN C C 29 177.900 178.355 -0.455 1
1 318 . 19 1 1 A 30 30 GLN CA C 29 57.800 58.681 -0.881 1
1 319 . 19 1 1 A 30 30 GLN CB C 29 28.600 28.396 0.204 1
1 321 . 19 1 1 A 30 30 GLN N N 29 118.800 117.673 1.127 1
1 322 . 19 1 1 A 31 31 GLN H H 30 8.240 8.010 0.230 1
1 323 . 19 1 1 A 31 31 GLN HA H 30 4.120 4.088 0.032 1
1 328 . 19 1 1 A 31 31 GLN C C 30 178.100 178.455 -0.355 1
1 329 . 19 1 1 A 31 31 GLN CA C 30 58.000 59.036 -1.036 1
1 330 . 19 1 1 A 31 31 GLN CB C 30 28.500 28.323 0.177 1
1 332 . 19 1 1 A 31 31 GLN N N 30 119.600 119.708 -0.108 1
1 333 . 19 1 1 A 32 32 GLU H H 31 8.300 8.684 -0.384 1
1 334 . 19 1 1 A 32 32 GLU HA H 31 4.190 4.146 0.044 1
1 339 . 19 1 1 A 32 32 GLU C C 31 178.100 179.221 -1.121 1
1 340 . 19 1 1 A 32 32 GLU CA C 31 58.600 59.483 -0.883 1
1 341 . 19 1 1 A 32 32 GLU CB C 31 28.800 29.346 -0.546 1
1 343 . 19 1 1 A 32 32 GLU N N 31 120.800 119.767 1.033 1
1 344 . 19 1 1 A 33 33 ALA H H 32 8.070 8.487 -0.417 1
1 345 . 19 1 1 A 33 33 ALA HA H 32 4.160 4.081 0.079 1
1 349 . 19 1 1 A 33 33 ALA C C 32 179.900 179.154 0.746 1
1 350 . 19 1 1 A 33 33 ALA CA C 32 54.900 55.406 -0.506 1
1 351 . 19 1 1 A 33 33 ALA CB C 32 18.200 18.290 -0.090 1
1 352 . 19 1 1 A 33 33 ALA N N 32 123.000 122.657 0.343 1
1 353 . 19 1 1 A 34 34 LYS H H 33 8.050 7.741 0.309 1
1 354 . 19 1 1 A 34 34 LYS HA H 33 4.150 4.056 0.094 1
1 363 . 19 1 1 A 34 34 LYS C C 33 178.900 179.047 -0.147 1
1 364 . 19 1 1 A 34 34 LYS CA C 33 58.600 59.257 -0.657 1
1 365 . 19 1 1 A 34 34 LYS CB C 33 32.300 32.107 0.193 1
1 369 . 19 1 1 A 34 34 LYS N N 33 118.600 119.131 -0.531 1
1 370 . 19 1 1 A 35 35 HIS H H 34 8.240 8.696 -0.456 1
1 371 . 19 1 1 A 35 35 HIS HA H 34 4.580 4.189 0.391 1
1 374 . 19 1 1 A 35 35 HIS C C 34 176.300 177.223 -0.923 1
1 375 . 19 1 1 A 35 35 HIS CA C 34 57.800 60.297 -2.497 1
1 376 . 19 1 1 A 35 35 HIS CB C 34 28.300 29.823 -1.523 1
1 377 . 19 1 1 A 35 35 HIS N N 34 119.100 119.489 -0.389 1
1 378 . 19 1 1 A 36 36 ARG H H 35 8.390 7.779 0.611 1
1 379 . 19 1 1 A 36 36 ARG HA H 35 4.160 3.975 0.185 1
1 386 . 19 1 1 A 36 36 ARG C C 35 178.500 178.867 -0.367 1
1 387 . 19 1 1 A 36 36 ARG CA C 35 58.800 58.788 0.012 1
1 388 . 19 1 1 A 36 36 ARG CB C 35 29.200 29.899 -0.699 1
1 391 . 19 1 1 A 36 36 ARG N N 35 120.600 118.736 1.864 1
1 392 . 19 1 1 A 37 37 GLU H H 36 8.240 8.597 -0.357 1
1 393 . 19 1 1 A 37 37 GLU HA H 36 4.080 4.020 0.060 1
1 398 . 19 1 1 A 37 37 GLU C C 36 178.200 179.266 -1.066 1
1 399 . 19 1 1 A 37 37 GLU CA C 36 59.100 59.328 -0.228 1
1 400 . 19 1 1 A 37 37 GLU CB C 36 29.100 29.222 -0.122 1
1 402 . 19 1 1 A 37 37 GLU N N 36 120.400 120.127 0.273 1
1 403 . 19 1 1 A 38 38 ALA H H 37 7.980 8.602 -0.622 1
1 404 . 19 1 1 A 38 38 ALA HA H 37 4.100 4.042 0.058 1
1 408 . 19 1 1 A 38 38 ALA C C 37 179.800 179.682 0.118 1
1 409 . 19 1 1 A 38 38 ALA CA C 37 55.100 54.853 0.247 1
1 410 . 19 1 1 A 38 38 ALA CB C 37 18.000 18.119 -0.119 1
1 411 . 19 1 1 A 38 38 ALA N N 37 122.000 122.699 -0.699 1
1 412 . 19 1 1 A 39 39 GLU H H 38 8.050 7.842 0.208 1
1 413 . 19 1 1 A 39 39 GLU HA H 38 4.120 4.089 0.031 1
1 418 . 19 1 1 A 39 39 GLU C C 38 179.000 178.570 0.430 1
1 419 . 19 1 1 A 39 39 GLU CA C 38 58.800 58.922 -0.122 1
1 420 . 19 1 1 A 39 39 GLU CB C 38 29.100 29.743 -0.643 1
1 422 . 19 1 1 A 39 39 GLU N N 38 118.200 118.630 -0.430 1
1 423 . 19 1 1 A 40 40 MET H H 39 8.130 8.539 -0.409 1
1 424 . 19 1 1 A 40 40 MET HA H 39 4.200 4.314 -0.114 1
1 429 . 19 1 1 A 40 40 MET C C 39 178.200 178.361 -0.161 1
1 430 . 19 1 1 A 40 40 MET CA C 39 58.100 58.055 0.045 1
1 431 . 19 1 1 A 40 40 MET CB C 39 32.300 33.164 -0.864 1
1 433 . 19 1 1 A 40 40 MET N N 39 120.300 118.528 1.772 1
1 434 . 19 1 1 A 41 41 ARG HA H 40 3.890 4.085 -0.195 1
1 441 . 19 1 1 A 41 41 ARG C C 40 177.700 178.825 -1.125 1
1 442 . 19 1 1 A 41 41 ARG CA C 40 59.500 58.836 0.664 1
1 443 . 19 1 1 A 41 41 ARG CB C 40 30.300 29.450 0.850 1
1 444 . 19 1 1 A 42 42 ASN H H 41 8.190 7.926 0.264 1
1 445 . 19 1 1 A 42 42 ASN HA H 41 4.440 4.465 -0.025 1
1 450 . 19 1 1 A 42 42 ASN C C 41 177.700 177.580 0.120 1
1 451 . 19 1 1 A 42 42 ASN CA C 41 55.900 56.575 -0.675 1
1 452 . 19 1 1 A 42 42 ASN CB C 41 38.100 39.662 -1.562 1
1 453 . 19 1 1 A 42 42 ASN N N 41 116.300 118.557 -2.257 1
1 455 . 19 1 1 A 43 43 SER H H 42 8.130 7.995 0.135 1
1 456 . 19 1 1 A 43 43 SER HA H 42 4.300 4.086 0.214 1
1 459 . 19 1 1 A 43 43 SER C C 42 176.600 176.971 -0.371 1
1 460 . 19 1 1 A 43 43 SER CA C 42 61.200 62.255 -1.055 1
1 461 . 19 1 1 A 43 43 SER CB C 42 63.100 62.996 0.104 1
1 462 . 19 1 1 A 43 43 SER N N 42 116.300 116.474 -0.174 1
1 463 . 19 1 1 A 44 44 ILE H H 43 7.940 7.874 0.066 1
1 464 . 19 1 1 A 44 44 ILE HA H 43 3.860 3.806 0.054 1
1 474 . 19 1 1 A 44 44 ILE C C 43 178.400 178.303 0.097 1
1 475 . 19 1 1 A 44 44 ILE CA C 43 64.500 64.517 -0.017 1
1 476 . 19 1 1 A 44 44 ILE CB C 43 37.900 37.402 0.498 1
1 480 . 19 1 1 A 44 44 ILE N N 43 122.500 118.790 3.710 1
1 481 . 19 1 1 A 45 45 LEU H H 44 8.070 8.108 -0.038 1
1 482 . 19 1 1 A 45 45 LEU HA H 44 3.940 4.004 -0.064 1
1 492 . 19 1 1 A 45 45 LEU C C 44 178.200 178.849 -0.649 1
1 493 . 19 1 1 A 45 45 LEU CA C 44 58.100 57.703 0.397 1
1 494 . 19 1 1 A 45 45 LEU CB C 44 41.100 40.626 0.474 1
1 498 . 19 1 1 A 45 45 LEU N N 44 119.100 121.928 -2.828 1
1 499 . 19 1 1 A 46 46 ALA H H 45 7.760 8.154 -0.394 1
1 500 . 19 1 1 A 46 46 ALA HA H 45 4.100 4.141 -0.041 1
1 504 . 19 1 1 A 46 46 ALA C C 45 178.700 178.579 0.121 1
1 505 . 19 1 1 A 46 46 ALA CA C 45 54.100 54.573 -0.473 1
1 506 . 19 1 1 A 46 46 ALA CB C 45 18.100 18.198 -0.098 1
1 507 . 19 1 1 A 46 46 ALA N N 45 117.600 121.730 -4.130 1
1 508 . 19 1 1 A 47 47 GLN H H 46 7.570 7.507 0.063 1
1 509 . 19 1 1 A 47 47 GLN HA H 46 4.270 4.247 0.023 1
1 514 . 19 1 1 A 47 47 GLN C C 46 177.800 177.936 -0.136 1
1 515 . 19 1 1 A 47 47 GLN CA C 46 57.300 57.966 -0.666 1
1 516 . 19 1 1 A 47 47 GLN CB C 46 29.500 29.216 0.284 1
1 518 . 19 1 1 A 47 47 GLN N N 46 114.300 116.631 -2.331 1
1 519 . 19 1 1 A 48 48 VAL H H 47 7.690 7.819 -0.129 1
1 520 . 19 1 1 A 48 48 VAL HA H 47 4.380 3.941 0.439 1
1 528 . 19 1 1 A 48 48 VAL C C 47 174.400 175.299 -0.899 1
1 529 . 19 1 1 A 48 48 VAL CA C 47 62.600 64.328 -1.728 1
1 530 . 19 1 1 A 48 48 VAL CB C 47 32.800 32.179 0.621 1
1 533 . 19 1 1 A 48 48 VAL N N 47 111.900 119.263 -7.363 1
1 534 . 19 1 1 A 49 49 LEU H H 48 7.480 7.671 -0.191 1
1 535 . 19 1 1 A 49 49 LEU HA H 48 4.910 4.631 0.279 1
1 545 . 19 1 1 A 49 49 LEU C C 48 177.000 175.972 1.028 1
1 546 . 19 1 1 A 49 49 LEU CA C 48 53.700 53.089 0.611 1
1 547 . 19 1 1 A 49 49 LEU CB C 48 44.500 42.967 1.533 1
1 551 . 19 1 1 A 49 49 LEU N N 48 119.600 122.198 -2.598 1
1 552 . 19 1 1 A 50 50 ASP H H 49 8.430 9.017 -0.587 1
1 553 . 19 1 1 A 50 50 ASP HA H 49 4.630 4.559 0.071 1
1 556 . 19 1 1 A 50 50 ASP C C 49 176.000 177.402 -1.402 1
1 557 . 19 1 1 A 50 50 ASP CA C 49 53.000 54.277 -1.277 1
1 558 . 19 1 1 A 50 50 ASP CB C 49 40.200 42.514 -2.314 1
1 559 . 19 1 1 A 50 50 ASP N N 49 121.200 125.344 -4.144 1
1 560 . 19 1 1 A 51 51 GLN H H 50 8.580 9.038 -0.458 1
1 561 . 19 1 1 A 51 51 GLN HA H 50 3.950 3.952 -0.002 1
1 566 . 19 1 1 A 51 51 GLN C C 50 178.800 177.667 1.133 1
1 567 . 19 1 1 A 51 51 GLN CA C 50 60.200 59.453 0.747 1
1 568 . 19 1 1 A 51 51 GLN CB C 50 28.300 28.564 -0.264 1
1 570 . 19 1 1 A 51 51 GLN N N 50 118.200 125.743 -7.543 1
1 571 . 19 1 1 A 52 52 SER H H 51 8.430 8.392 0.038 1
1 572 . 19 1 1 A 52 52 SER HA H 51 4.320 4.166 0.154 1
1 575 . 19 1 1 A 52 52 SER C C 51 177.200 176.390 0.810 1
1 576 . 19 1 1 A 52 52 SER CA C 51 61.500 61.728 -0.228 1
1 577 . 19 1 1 A 52 52 SER CB C 51 62.400 63.121 -0.721 1
1 578 . 19 1 1 A 52 52 SER N N 51 117.000 117.026 -0.026 1
1 579 . 19 1 1 A 53 53 ALA H H 52 8.760 7.876 0.884 1
1 580 . 19 1 1 A 53 53 ALA HA H 52 3.960 4.071 -0.111 1
1 584 . 19 1 1 A 53 53 ALA C C 52 178.900 179.282 -0.382 1
1 585 . 19 1 1 A 53 53 ALA CA C 52 55.400 54.971 0.429 1
1 586 . 19 1 1 A 53 53 ALA CB C 52 19.200 18.383 0.817 1
1 587 . 19 1 1 A 53 53 ALA N N 52 127.400 123.363 4.037 1
1 588 . 19 1 1 A 54 54 ARG H H 53 8.640 8.348 0.292 1
1 589 . 19 1 1 A 54 54 ARG HA H 53 3.880 3.943 -0.063 1
1 596 . 19 1 1 A 54 54 ARG C C 53 179.000 178.768 0.232 1
1 597 . 19 1 1 A 54 54 ARG CA C 53 59.700 59.587 0.113 1
1 598 . 19 1 1 A 54 54 ARG CB C 53 29.900 30.170 -0.270 1
1 601 . 19 1 1 A 54 54 ARG N N 53 118.200 117.926 0.274 1
1 602 . 19 1 1 A 55 55 ALA H H 54 7.960 8.057 -0.097 1
1 603 . 19 1 1 A 55 55 ALA HA H 54 4.190 4.050 0.140 1
1 607 . 19 1 1 A 55 55 ALA C C 54 180.100 179.631 0.469 1
1 608 . 19 1 1 A 55 55 ALA CA C 54 55.100 55.014 0.086 1
1 609 . 19 1 1 A 55 55 ALA CB C 54 17.700 18.341 -0.641 1
1 610 . 19 1 1 A 55 55 ALA N N 54 122.200 122.014 0.186 1
1 611 . 19 1 1 A 56 56 ARG H H 55 7.800 7.636 0.164 1
1 612 . 19 1 1 A 56 56 ARG HA H 55 4.160 4.147 0.013 1
1 619 . 19 1 1 A 56 56 ARG C C 55 178.900 178.798 0.102 1
1 620 . 19 1 1 A 56 56 ARG CA C 55 58.300 58.522 -0.222 1
1 621 . 19 1 1 A 56 56 ARG CB C 55 29.100 29.800 -0.700 1
1 624 . 19 1 1 A 56 56 ARG N N 55 119.100 118.675 0.425 1
1 625 . 19 1 1 A 57 57 LEU H H 56 8.390 8.332 0.058 1
1 626 . 19 1 1 A 57 57 LEU HA H 56 4.060 3.975 0.085 1
1 635 . 19 1 1 A 57 57 LEU C C 56 178.100 178.705 -0.605 1
1 636 . 19 1 1 A 57 57 LEU CA C 56 57.800 57.725 0.075 1
1 637 . 19 1 1 A 57 57 LEU CB C 56 41.600 41.484 0.116 1
1 641 . 19 1 1 A 57 57 LEU N N 56 120.600 121.021 -0.421 1
1 642 . 19 1 1 A 58 58 SER H H 57 8.150 7.704 0.446 1
1 643 . 19 1 1 A 58 58 SER HA H 57 4.210 4.145 0.065 1
1 646 . 19 1 1 A 58 58 SER C C 57 176.500 177.358 -0.858 1
1 647 . 19 1 1 A 58 58 SER CA C 57 61.800 61.396 0.404 1
1 648 . 19 1 1 A 58 58 SER CB C 57 62.600 62.853 -0.253 1
1 649 . 19 1 1 A 58 58 SER N N 57 114.100 113.711 0.389 1
1 650 . 19 1 1 A 59 59 ASN H H 58 7.700 8.060 -0.360 1
1 651 . 19 1 1 A 59 59 ASN HA H 58 4.580 4.429 0.151 1
1 656 . 19 1 1 A 59 59 ASN C C 58 178.000 178.195 -0.195 1
1 657 . 19 1 1 A 59 59 ASN CA C 58 56.200 56.970 -0.770 1
1 658 . 19 1 1 A 59 59 ASN CB C 58 38.700 39.206 -0.506 1
1 659 . 19 1 1 A 59 59 ASN N N 58 119.500 119.253 0.247 1
1 661 . 19 1 1 A 60 60 LEU H H 59 8.250 8.367 -0.117 1
1 662 . 19 1 1 A 60 60 LEU HA H 59 4.070 4.039 0.031 1
1 671 . 19 1 1 A 60 60 LEU C C 59 178.400 179.507 -1.107 1
1 672 . 19 1 1 A 60 60 LEU CA C 59 57.500 57.917 -0.417 1
1 673 . 19 1 1 A 60 60 LEU CB C 59 42.100 40.813 1.287 1
1 677 . 19 1 1 A 60 60 LEU N N 59 123.000 119.658 3.342 1
1 678 . 19 1 1 A 61 61 ALA H H 60 8.070 8.405 -0.335 1
1 679 . 19 1 1 A 61 61 ALA HA H 60 3.910 4.272 -0.362 1
1 683 . 19 1 1 A 61 61 ALA C C 60 178.400 178.161 0.239 1
1 684 . 19 1 1 A 61 61 ALA CA C 60 54.600 54.390 0.210 1
1 685 . 19 1 1 A 61 61 ALA CB C 60 18.200 18.434 -0.234 1
1 686 . 19 1 1 A 61 61 ALA N N 60 120.700 122.073 -1.373 1
1 687 . 19 1 1 A 62 62 LEU H H 61 7.170 7.265 -0.095 1
1 688 . 19 1 1 A 62 62 LEU HA H 61 4.200 4.354 -0.154 1
1 695 . 19 1 1 A 62 62 LEU C C 61 178.300 177.012 1.288 1
1 696 . 19 1 1 A 62 62 LEU CA C 61 56.500 54.952 1.548 1
1 697 . 19 1 1 A 62 62 LEU CB C 61 42.100 42.254 -0.154 1
1 701 . 19 1 1 A 62 62 LEU N N 61 113.700 116.323 -2.623 1
1 702 . 19 1 1 A 63 63 VAL H H 62 7.330 8.118 -0.788 1
1 703 . 19 1 1 A 63 63 VAL HA H 62 4.380 4.429 -0.049 1
1 711 . 19 1 1 A 63 63 VAL C C 62 176.200 175.789 0.411 1
1 712 . 19 1 1 A 63 63 VAL CA C 62 62.800 63.465 -0.665 1
1 713 . 19 1 1 A 63 63 VAL CB C 62 33.900 34.179 -0.279 1
1 716 . 19 1 1 A 63 63 VAL N N 62 112.500 118.651 -6.151 1
1 717 . 19 1 1 A 64 64 LYS H H 63 8.710 8.404 0.306 1
1 718 . 19 1 1 A 64 64 LYS HA H 63 5.000 4.780 0.220 1
1 727 . 19 1 1 A 64 64 LYS C C 63 174.200 175.095 -0.895 1
1 728 . 19 1 1 A 64 64 LYS CA C 63 53.600 53.741 -0.141 1
1 729 . 19 1 1 A 64 64 LYS CB C 63 33.400 33.099 0.301 1
1 733 . 19 1 1 A 64 64 LYS N N 63 120.400 119.411 0.989 1
1 734 . 19 1 1 A 65 65 PRO HA H 64 4.360 4.339 0.021 1
1 741 . 19 1 1 A 65 65 PRO C C 64 179.400 178.686 0.714 1
1 742 . 19 1 1 A 65 65 PRO CA C 64 66.000 64.794 1.206 1
1 743 . 19 1 1 A 65 65 PRO CB C 64 31.400 32.112 -0.712 1
1 746 . 19 1 1 A 66 66 GLU H H 65 8.920 8.447 0.473 1
1 747 . 19 1 1 A 66 66 GLU HA H 65 4.200 3.980 0.220 1
1 752 . 19 1 1 A 66 66 GLU C C 65 179.600 179.218 0.382 1
1 753 . 19 1 1 A 66 66 GLU CA C 65 59.400 59.941 -0.541 1
1 754 . 19 1 1 A 66 66 GLU CB C 65 28.300 29.064 -0.764 1
1 756 . 19 1 1 A 66 66 GLU N N 65 118.700 117.818 0.882 1
1 757 . 19 1 1 A 67 67 LYS H H 66 8.000 7.719 0.281 1
1 758 . 19 1 1 A 67 67 LYS HA H 66 4.160 4.152 0.008 1
1 767 . 19 1 1 A 67 67 LYS C C 66 178.400 178.977 -0.577 1
1 768 . 19 1 1 A 67 67 LYS CA C 66 58.500 58.810 -0.310 1
1 769 . 19 1 1 A 67 67 LYS CB C 66 32.300 32.236 0.064 1
1 773 . 19 1 1 A 67 67 LYS N N 66 121.300 118.998 2.302 1
1 774 . 19 1 1 A 68 68 THR H H 67 7.960 7.740 0.220 1
1 775 . 19 1 1 A 68 68 THR HA H 67 4.130 3.831 0.299 1
1 780 . 19 1 1 A 68 68 THR C C 67 176.200 176.775 -0.575 1
1 781 . 19 1 1 A 68 68 THR CA C 67 67.800 67.432 0.368 1
1 782 . 19 1 1 A 68 68 THR CB C 67 67.800 68.502 -0.702 1
1 784 . 19 1 1 A 68 68 THR N N 67 114.200 117.207 -3.007 1
1 785 . 19 1 1 A 69 69 LYS H H 68 7.770 8.394 -0.624 1
1 786 . 19 1 1 A 69 69 LYS HA H 68 3.990 4.055 -0.065 1
1 795 . 19 1 1 A 69 69 LYS C C 68 178.100 178.675 -0.575 1
1 796 . 19 1 1 A 69 69 LYS CA C 68 59.400 58.803 0.597 1
1 797 . 19 1 1 A 69 69 LYS CB C 68 31.700 32.006 -0.306 1
1 801 . 19 1 1 A 69 69 LYS N N 68 122.000 120.030 1.970 1
1 802 . 19 1 1 A 70 70 ALA H H 69 7.480 7.443 0.037 1
1 803 . 19 1 1 A 70 70 ALA HA H 69 4.240 4.068 0.172 1
1 807 . 19 1 1 A 70 70 ALA C C 69 181.200 180.100 1.100 1
1 808 . 19 1 1 A 70 70 ALA CA C 69 55.200 55.070 0.130 1
1 809 . 19 1 1 A 70 70 ALA CB C 69 17.900 18.274 -0.374 1
1 810 . 19 1 1 A 70 70 ALA N N 69 120.300 121.660 -1.360 1
1 811 . 19 1 1 A 71 71 VAL H H 70 8.160 7.699 0.461 1
1 812 . 19 1 1 A 71 71 VAL HA H 70 3.620 3.851 -0.231 1
1 820 . 19 1 1 A 71 71 VAL C C 70 177.400 178.153 -0.753 1
1 821 . 19 1 1 A 71 71 VAL CA C 70 66.600 65.331 1.269 1
1 822 . 19 1 1 A 71 71 VAL CB C 70 31.500 31.695 -0.195 1
1 825 . 19 1 1 A 71 71 VAL N N 70 120.300 117.406 2.894 1
1 826 . 19 1 1 A 72 72 GLU H H 71 8.690 8.795 -0.105 1
1 827 . 19 1 1 A 72 72 GLU HA H 71 3.800 3.934 -0.134 1
1 832 . 19 1 1 A 72 72 GLU C C 71 178.000 179.118 -1.118 1
1 833 . 19 1 1 A 72 72 GLU CA C 71 60.400 60.250 0.150 1
1 834 . 19 1 1 A 72 72 GLU CB C 71 29.200 29.421 -0.221 1
1 836 . 19 1 1 A 72 72 GLU N N 71 119.300 122.167 -2.867 1
1 837 . 19 1 1 A 73 73 ASN H H 72 8.460 8.330 0.130 1
1 838 . 19 1 1 A 73 73 ASN HA H 72 4.440 4.459 -0.019 1
1 843 . 19 1 1 A 73 73 ASN C C 72 177.600 177.202 0.398 1
1 844 . 19 1 1 A 73 73 ASN CA C 72 56.200 56.201 -0.001 1
1 845 . 19 1 1 A 73 73 ASN CB C 72 37.600 39.451 -1.851 1
1 846 . 19 1 1 A 73 73 ASN N N 72 115.900 118.022 -2.122 1
1 848 . 19 1 1 A 74 74 TYR H H 73 7.940 7.674 0.266 1
1 849 . 19 1 1 A 74 74 TYR HA H 73 4.200 4.246 -0.046 1
1 856 . 19 1 1 A 74 74 TYR C C 73 177.600 177.159 0.441 1
1 857 . 19 1 1 A 74 74 TYR CA C 73 61.500 61.447 0.053 1
1 858 . 19 1 1 A 74 74 TYR CB C 73 38.400 38.543 -0.143 1
1 863 . 19 1 1 A 74 74 TYR N N 73 122.400 120.515 1.885 1
1 864 . 19 1 1 A 75 75 LEU H H 74 8.410 8.750 -0.340 1
1 865 . 19 1 1 A 75 75 LEU HA H 74 3.930 3.644 0.286 1
1 875 . 19 1 1 A 75 75 LEU C C 74 178.500 179.167 -0.667 1
1 876 . 19 1 1 A 75 75 LEU CA C 74 58.100 57.886 0.214 1
1 877 . 19 1 1 A 75 75 LEU CB C 74 42.600 41.240 1.360 1
1 881 . 19 1 1 A 75 75 LEU N N 74 119.500 119.630 -0.130 1
1 882 . 19 1 1 A 76 76 ILE H H 75 8.400 8.315 0.085 1
1 883 . 19 1 1 A 76 76 ILE HA H 75 3.570 3.461 0.109 1
1 890 . 19 1 1 A 76 76 ILE C C 75 178.100 177.860 0.240 1
1 891 . 19 1 1 A 76 76 ILE CA C 75 65.200 65.795 -0.595 1
1 892 . 19 1 1 A 76 76 ILE CB C 75 37.800 37.900 -0.100 1
1 896 . 19 1 1 A 76 76 ILE N N 75 118.600 120.202 -1.602 1
1 897 . 19 1 1 A 77 77 GLN H H 76 7.830 7.352 0.478 1
1 898 . 19 1 1 A 77 77 GLN HA H 76 3.920 4.066 -0.146 1
1 903 . 19 1 1 A 77 77 GLN C C 76 178.100 178.629 -0.529 1
1 904 . 19 1 1 A 77 77 GLN CA C 76 59.100 58.792 0.308 1
1 905 . 19 1 1 A 77 77 GLN CB C 76 28.000 28.408 -0.408 1
1 907 . 19 1 1 A 77 77 GLN N N 76 119.300 118.731 0.569 1
1 908 . 19 1 1 A 78 78 MET H H 77 8.060 8.318 -0.258 1
1 909 . 19 1 1 A 78 78 MET HA H 77 4.040 4.271 -0.231 1
1 912 . 19 1 1 A 78 78 MET C C 77 178.700 178.028 0.672 1
1 913 . 19 1 1 A 78 78 MET CA C 77 58.600 58.538 0.062 1
1 914 . 19 1 1 A 78 78 MET CB C 77 33.000 32.097 0.903 1
1 916 . 19 1 1 A 78 78 MET N N 77 117.600 119.632 -2.032 1
1 917 . 19 1 1 A 79 79 ALA H H 78 8.210 8.245 -0.035 1
1 918 . 19 1 1 A 79 79 ALA HA H 78 4.190 4.027 0.163 1
1 922 . 19 1 1 A 79 79 ALA C C 78 180.600 179.621 0.979 1
1 923 . 19 1 1 A 79 79 ALA CA C 78 54.100 55.047 -0.947 1
1 924 . 19 1 1 A 79 79 ALA CB C 78 18.400 18.150 0.250 1
1 925 . 19 1 1 A 79 79 ALA N N 78 121.400 121.376 0.024 1
1 926 . 19 1 1 A 80 80 ARG H H 79 8.120 7.945 0.175 1
1 927 . 19 1 1 A 80 80 ARG HA H 79 3.960 3.961 -0.001 1
1 934 . 19 1 1 A 80 80 ARG C C 79 177.900 177.396 0.504 1
1 935 . 19 1 1 A 80 80 ARG CA C 79 58.800 58.563 0.237 1
1 936 . 19 1 1 A 80 80 ARG CB C 79 29.900 29.360 0.540 1
1 939 . 19 1 1 A 80 80 ARG N N 79 119.100 119.743 -0.643 1
1 940 . 19 1 1 A 81 81 TYR H H 80 7.800 7.713 0.087 1
1 941 . 19 1 1 A 81 81 TYR HA H 80 4.710 4.626 0.084 1
1 948 . 19 1 1 A 81 81 TYR C C 80 176.500 175.814 0.686 1
1 949 . 19 1 1 A 81 81 TYR CA C 80 57.500 57.741 -0.241 1
1 950 . 19 1 1 A 81 81 TYR CB C 80 38.100 38.795 -0.695 1
1 955 . 19 1 1 A 81 81 TYR N N 80 115.900 114.936 0.964 1
1 956 . 19 1 1 A 82 82 GLY H H 81 7.850 7.433 0.417 1
1 957 . 19 1 1 A 82 82 GLY HA2 H 81 4.030 3.967 0.063 1
1 958 . 19 1 1 A 82 82 GLY HA3 H 81 4.030 3.987 0.043 1
1 959 . 19 1 1 A 82 82 GLY C C 81 174.900 175.115 -0.215 1
1 960 . 19 1 1 A 82 82 GLY CA C 81 46.300 46.468 -0.168 1
1 961 . 19 1 1 A 82 82 GLY N N 81 108.500 108.569 -0.069 1
1 962 . 19 1 1 A 83 83 GLN H H 82 8.200 8.439 -0.239 1
1 963 . 19 1 1 A 83 83 GLN HA H 82 4.310 4.316 -0.006 1
1 968 . 19 1 1 A 83 83 GLN C C 82 175.500 175.563 -0.063 1
1 969 . 19 1 1 A 83 83 GLN CA C 82 55.700 56.070 -0.370 1
1 970 . 19 1 1 A 83 83 GLN CB C 82 29.400 29.139 0.261 1
1 972 . 19 1 1 A 83 83 GLN N N 82 116.900 117.479 -0.579 1
1 973 . 19 1 1 A 84 84 LEU H H 83 7.990 7.390 0.600 1
1 974 . 19 1 1 A 84 84 LEU HA H 83 4.610 4.581 0.029 1
1 984 . 19 1 1 A 84 84 LEU C C 83 176.500 176.435 0.065 1
1 985 . 19 1 1 A 84 84 LEU CA C 83 54.300 53.185 1.115 1
1 986 . 19 1 1 A 84 84 LEU CB C 83 42.600 43.609 -1.009 1
1 990 . 19 1 1 A 84 84 LEU N N 83 121.400 117.004 4.396 1
1 991 . 19 1 1 A 85 85 SER H H 84 8.630 8.770 -0.140 1
1 992 . 19 1 1 A 85 85 SER HA H 84 4.410 4.634 -0.224 1
1 995 . 19 1 1 A 85 85 SER C C 84 173.700 174.088 -0.388 1
1 996 . 19 1 1 A 85 85 SER CA C 84 59.400 59.478 -0.078 1
1 997 . 19 1 1 A 85 85 SER CB C 84 63.900 64.753 -0.853 1
1 998 . 19 1 1 A 85 85 SER N N 84 118.400 114.395 4.005 1
1 999 . 19 1 1 A 86 86 GLU H H 85 7.690 7.711 -0.021 1
1 1000 . 19 1 1 A 86 86 GLU HA H 85 4.530 4.628 -0.098 1
1 1005 . 19 1 1 A 86 86 GLU C C 85 175.400 174.912 0.488 1
1 1006 . 19 1 1 A 86 86 GLU CA C 85 54.900 55.260 -0.360 1
1 1007 . 19 1 1 A 86 86 GLU CB C 85 31.200 33.383 -2.183 1
1 1009 . 19 1 1 A 86 86 GLU N N 85 119.400 118.098 1.302 1
1 1010 . 19 1 1 A 87 87 LYS H H 86 8.380 8.412 -0.032 1
1 1011 . 19 1 1 A 87 87 LYS HA H 86 4.230 4.718 -0.488 1
1 1018 . 19 1 1 A 87 87 LYS C C 86 176.900 176.313 0.587 1
1 1019 . 19 1 1 A 87 87 LYS CA C 86 57.000 56.124 0.876 1
1 1020 . 19 1 1 A 87 87 LYS CB C 86 33.300 33.007 0.293 1
1 1024 . 19 1 1 A 87 87 LYS N N 86 120.400 121.112 -0.712 1
1 1025 . 19 1 1 A 88 88 VAL H H 87 8.960 8.948 0.012 1
1 1026 . 19 1 1 A 88 88 VAL HA H 87 3.970 4.254 -0.284 1
1 1034 . 19 1 1 A 88 88 VAL C C 87 174.700 175.650 -0.950 1
1 1035 . 19 1 1 A 88 88 VAL CA C 87 63.300 62.932 0.368 1
1 1036 . 19 1 1 A 88 88 VAL CB C 87 32.400 31.984 0.416 1
1 1038 . 19 1 1 A 88 88 VAL N N 87 125.200 125.721 -0.521 1
1 1039 . 19 1 1 A 89 89 SER H H 88 8.190 9.057 -0.867 1
1 1040 . 19 1 1 A 89 89 SER HA H 88 4.990 4.636 0.354 1
1 1043 . 19 1 1 A 89 89 SER C C 88 175.700 175.662 0.038 1
1 1044 . 19 1 1 A 89 89 SER CA C 88 56.200 57.588 -1.388 1
1 1045 . 19 1 1 A 89 89 SER CB C 88 66.600 64.725 1.875 1
1 1046 . 19 1 1 A 89 89 SER N N 88 121.700 121.928 -0.228 1
1 1047 . 19 1 1 A 90 90 GLU H H 89 9.230 8.763 0.467 1
1 1048 . 19 1 1 A 90 90 GLU HA H 89 3.720 4.003 -0.283 1
1 1053 . 19 1 1 A 90 90 GLU C C 89 177.700 179.125 -1.425 1
1 1054 . 19 1 1 A 90 90 GLU CA C 89 61.200 59.883 1.317 1
1 1055 . 19 1 1 A 90 90 GLU CB C 89 29.100 29.542 -0.442 1
1 1057 . 19 1 1 A 90 90 GLU N N 89 121.600 122.805 -1.205 1
1 1058 . 19 1 1 A 91 91 GLN H H 90 8.430 8.040 0.390 1
1 1059 . 19 1 1 A 91 91 GLN HA H 90 4.040 3.996 0.044 1
1 1066 . 19 1 1 A 91 91 GLN C C 90 178.900 178.383 0.517 1
1 1067 . 19 1 1 A 91 91 GLN CA C 90 59.100 59.542 -0.442 1
1 1068 . 19 1 1 A 91 91 GLN CB C 90 27.800 27.954 -0.154 1
1 1070 . 19 1 1 A 91 91 GLN N N 90 117.100 119.483 -2.383 1
1 1072 . 19 1 1 A 92 92 GLY H H 91 8.080 8.259 -0.179 1
1 1073 . 19 1 1 A 92 92 GLY HA2 H 91 3.890 3.579 0.311 1
1 1074 . 19 1 1 A 92 92 GLY HA3 H 91 3.890 3.581 0.309 1
1 1075 . 19 1 1 A 92 92 GLY C C 91 176.600 175.983 0.617 1
1 1076 . 19 1 1 A 92 92 GLY CA C 91 46.900 47.370 -0.470 1
1 1077 . 19 1 1 A 92 92 GLY N N 91 109.400 107.282 2.118 1
1 1078 . 19 1 1 A 93 93 LEU H H 92 8.610 8.224 0.386 1
1 1079 . 19 1 1 A 93 93 LEU HA H 92 4.000 4.184 -0.184 1
1 1089 . 19 1 1 A 93 93 LEU C C 92 178.000 178.369 -0.369 1
1 1090 . 19 1 1 A 93 93 LEU CA C 92 57.500 57.237 0.263 1
1 1091 . 19 1 1 A 93 93 LEU CB C 92 41.800 41.471 0.329 1
1 1095 . 19 1 1 A 93 93 LEU N N 92 123.700 122.210 1.490 1
1 1096 . 19 1 1 A 94 94 ILE H H 93 7.970 8.797 -0.827 1
1 1097 . 19 1 1 A 94 94 ILE HA H 93 3.640 3.528 0.112 1
1 1107 . 19 1 1 A 94 94 ILE C C 93 178.500 178.198 0.302 1
1 1108 . 19 1 1 A 94 94 ILE CA C 93 64.800 65.073 -0.273 1
1 1109 . 19 1 1 A 94 94 ILE CB C 93 37.100 37.681 -0.581 1
1 1113 . 19 1 1 A 94 94 ILE N N 93 119.900 119.778 0.122 1
1 1114 . 19 1 1 A 95 95 GLU H H 94 7.610 7.741 -0.131 1
1 1115 . 19 1 1 A 95 95 GLU HA H 94 4.090 4.124 -0.034 1
1 1120 . 19 1 1 A 95 95 GLU C C 94 179.400 179.317 0.083 1
1 1121 . 19 1 1 A 95 95 GLU CA C 94 59.200 59.023 0.177 1
1 1122 . 19 1 1 A 95 95 GLU CB C 94 28.800 29.496 -0.696 1
1 1124 . 19 1 1 A 95 95 GLU N N 94 118.800 121.470 -2.670 1
1 1125 . 19 1 1 A 96 96 ILE H H 95 7.840 7.694 0.146 1
1 1126 . 19 1 1 A 96 96 ILE HA H 95 3.520 3.707 -0.187 1
1 1136 . 19 1 1 A 96 96 ILE C C 95 177.500 178.256 -0.756 1
1 1137 . 19 1 1 A 96 96 ILE CA C 95 65.500 65.617 -0.117 1
1 1138 . 19 1 1 A 96 96 ILE CB C 95 37.900 37.681 0.219 1
1 1142 . 19 1 1 A 96 96 ILE N N 95 121.600 120.805 0.795 1
1 1143 . 19 1 1 A 97 97 LEU H H 96 8.620 8.848 -0.228 1
1 1144 . 19 1 1 A 97 97 LEU HA H 96 3.800 4.061 -0.261 1
1 1151 . 19 1 1 A 97 97 LEU C C 96 179.400 178.845 0.555 1
1 1152 . 19 1 1 A 97 97 LEU CA C 96 58.600 57.768 0.832 1
1 1153 . 19 1 1 A 97 97 LEU CB C 96 41.500 41.632 -0.132 1
1 1156 . 19 1 1 A 97 97 LEU N N 96 120.400 119.932 0.468 1
1 1157 . 19 1 1 A 98 98 LYS H H 97 7.750 8.165 -0.415 1
1 1158 . 19 1 1 A 98 98 LYS HA H 97 3.990 3.908 0.082 1
1 1167 . 19 1 1 A 98 98 LYS C C 97 178.600 179.926 -1.326 1
1 1168 . 19 1 1 A 98 98 LYS CA C 97 59.400 60.261 -0.861 1
1 1169 . 19 1 1 A 98 98 LYS CB C 97 32.300 32.299 0.001 1
1 1172 . 19 1 1 A 98 98 LYS N N 97 119.000 119.982 -0.982 1
1 1173 . 19 1 1 A 99 99 LYS H H 98 7.710 7.596 0.114 1
1 1174 . 19 1 1 A 99 99 LYS HA H 98 4.110 4.023 0.087 1
1 1183 . 19 1 1 A 99 99 LYS C C 98 179.100 179.501 -0.401 1
1 1184 . 19 1 1 A 99 99 LYS CA C 98 59.100 59.450 -0.350 1
1 1185 . 19 1 1 A 99 99 LYS CB C 98 32.500 32.301 0.199 1
1 1189 . 19 1 1 A 99 99 LYS N N 98 119.500 119.732 -0.232 1
1 1190 . 19 1 1 A 100 100 VAL H H 99 8.210 7.848 0.362 1
1 1191 . 19 1 1 A 100 100 VAL HA H 99 3.920 4.392 -0.472 1
1 1196 . 19 1 1 A 100 100 VAL C C 99 177.600 177.759 -0.159 1
1 1197 . 19 1 1 A 100 100 VAL CA C 99 64.200 64.825 -0.625 1
1 1198 . 19 1 1 A 100 100 VAL CB C 99 31.500 31.226 0.274 1
1 1200 . 19 1 1 A 100 100 VAL N N 99 115.800 115.326 0.474 1
1 1201 . 19 1 1 A 101 101 SER H H 100 7.900 8.046 -0.146 1
1 1202 . 19 1 1 A 101 101 SER HA H 100 4.340 4.395 -0.055 1
1 1205 . 19 1 1 A 101 101 SER C C 100 174.600 176.306 -1.706 1
1 1206 . 19 1 1 A 101 101 SER CA C 100 60.400 60.719 -0.319 1
1 1207 . 19 1 1 A 101 101 SER CB C 100 63.600 63.253 0.347 1
1 1208 . 19 1 1 A 101 101 SER N N 100 116.500 117.385 -0.885 1
1 1209 . 19 1 1 A 102 102 GLN H H 101 7.860 7.509 0.351 1
1 1210 . 19 1 1 A 102 102 GLN HA H 101 4.280 4.134 0.146 1
1 1215 . 19 1 1 A 102 102 GLN C C 101 176.400 177.541 -1.141 1
1 1216 . 19 1 1 A 102 102 GLN CA C 101 56.800 58.093 -1.293 1
1 1217 . 19 1 1 A 102 102 GLN CB C 101 28.900 29.062 -0.162 1
1 1219 . 19 1 1 A 102 102 GLN N N 101 120.100 120.847 -0.747 1
1 1220 . 19 1 1 A 103 103 GLN H H 102 8.080 7.617 0.463 1
1 1221 . 19 1 1 A 103 103 GLN HA H 102 4.360 4.483 -0.123 1
1 1226 . 19 1 1 A 103 103 GLN C C 102 176.500 176.828 -0.328 1
1 1227 . 19 1 1 A 103 103 GLN CA C 102 56.700 56.995 -0.295 1
1 1228 . 19 1 1 A 103 103 GLN CB C 102 29.000 31.070 -2.070 1
1 1230 . 19 1 1 A 103 103 GLN N N 102 119.700 114.179 5.521 1
1 1231 . 19 1 1 A 104 104 THR H H 103 8.070 7.798 0.272 1
1 1232 . 19 1 1 A 104 104 THR HA H 103 4.350 4.475 -0.125 1
1 1237 . 19 1 1 A 104 104 THR C C 103 174.700 175.487 -0.787 1
1 1238 . 19 1 1 A 104 104 THR CA C 103 62.500 63.360 -0.860 1
1 1239 . 19 1 1 A 104 104 THR CB C 103 69.800 70.970 -1.170 1
1 1241 . 19 1 1 A 104 104 THR N N 103 113.900 109.811 4.089 1
1 1242 . 19 1 1 A 105 105 GLU H H 104 8.290 7.902 0.388 1
1 1243 . 19 1 1 A 105 105 GLU HA H 104 4.350 4.320 0.030 1
1 1248 . 19 1 1 A 105 105 GLU C C 104 176.300 175.605 0.695 1
1 1249 . 19 1 1 A 105 105 GLU CA C 104 56.700 56.516 0.184 1
1 1250 . 19 1 1 A 105 105 GLU CB C 104 29.900 31.553 -1.653 1
1 1252 . 19 1 1 A 105 105 GLU N N 104 122.900 113.786 9.114 1
1 1253 . 19 1 1 A 106 106 LYS H H 105 8.320 7.645 0.675 1
1 1254 . 19 1 1 A 106 106 LYS HA H 105 4.390 4.815 -0.425 1
1 1263 . 19 1 1 A 106 106 LYS C C 105 176.800 174.994 1.806 1
1 1264 . 19 1 1 A 106 106 LYS CA C 105 56.700 54.358 2.342 1
1 1265 . 19 1 1 A 106 106 LYS CB C 105 32.800 35.612 -2.812 1
1 1269 . 19 1 1 A 106 106 LYS N N 105 121.900 118.951 2.949 1
1 1270 . 19 1 1 A 107 107 THR H H 106 8.150 8.554 -0.404 1
1 1271 . 19 1 1 A 107 107 THR HA H 106 4.430 4.626 -0.196 1
1 1276 . 19 1 1 A 107 107 THR C C 106 174.600 173.576 1.024 1
1 1277 . 19 1 1 A 107 107 THR CA C 106 62.000 60.484 1.516 1
1 1278 . 19 1 1 A 107 107 THR CB C 106 70.000 68.918 1.082 1
1 1280 . 19 1 1 A 107 107 THR N N 106 115.000 115.194 -0.194 1
1 1281 . 19 1 1 A 108 108 THR H H 107 8.190 8.551 -0.361 1
1 1282 . 19 1 1 A 108 108 THR HA H 107 4.440 4.362 0.078 1
1 1287 . 19 1 1 A 108 108 THR C C 107 174.500 174.710 -0.210 1
1 1288 . 19 1 1 A 108 108 THR CA C 107 62.000 64.307 -2.307 1
1 1289 . 19 1 1 A 108 108 THR CB C 107 69.800 69.649 0.151 1
1 1291 . 19 1 1 A 108 108 THR N N 107 116.500 122.138 -5.638 1
1 1292 . 19 1 1 A 109 109 THR H H 108 8.170 7.841 0.329 1
1 1293 . 19 1 1 A 109 109 THR HA H 108 4.350 4.549 -0.199 1
1 1298 . 19 1 1 A 109 109 THR C C 108 174.200 174.933 -0.733 1
1 1299 . 19 1 1 A 109 109 THR CA C 108 62.000 63.044 -1.044 1
1 1300 . 19 1 1 A 109 109 THR CB C 108 69.800 69.004 0.796 1
1 1302 . 19 1 1 A 109 109 THR N N 108 117.200 113.498 3.702 1
1 1303 . 19 1 1 A 110 110 VAL H H 109 8.100 8.728 -0.628 1
1 1304 . 19 1 1 A 110 110 VAL HA H 109 4.040 4.243 -0.203 1
1 1312 . 19 1 1 A 110 110 VAL C C 109 175.200 175.685 -0.485 1
1 1313 . 19 1 1 A 110 110 VAL CA C 109 62.300 64.546 -2.246 1
1 1314 . 19 1 1 A 110 110 VAL CB C 109 32.600 32.338 0.262 1
1 1316 . 19 1 1 A 110 110 VAL N N 109 123.100 123.091 0.009 1
1 1317 . 19 1 1 A 111 111 LYS H H 110 8.200 7.727 0.473 1
1 1318 . 19 1 1 A 111 111 LYS HA H 110 4.310 4.112 0.198 1
1 1327 . 19 1 1 A 111 111 LYS C C 110 175.700 176.567 -0.867 1
1 1328 . 19 1 1 A 111 111 LYS CA C 110 55.700 55.090 0.610 1
1 1329 . 19 1 1 A 111 111 LYS CB C 110 33.300 31.110 2.190 1
1 1333 . 19 1 1 A 111 111 LYS N N 110 125.200 121.879 3.321 1
1 1334 . 19 1 1 A 112 112 PHE H H 111 8.310 7.600 0.710 1
1 1335 . 19 1 1 A 112 112 PHE HA H 111 4.650 4.355 0.295 1
1 1338 . 19 1 1 A 112 112 PHE C C 111 174.500 175.624 -1.124 1
1 1339 . 19 1 1 A 112 112 PHE CA C 111 57.500 60.740 -3.240 1
1 1340 . 19 1 1 A 112 112 PHE CB C 111 39.700 38.375 1.325 1
1 1341 . 19 1 1 A 112 112 PHE N N 111 122.100 124.179 -2.079 1
1 1 . 20 1 1 A 2 2 SER H H 1 8.780 8.732 0.048 1
1 2 . 20 1 1 A 2 2 SER HA H 1 4.480 4.110 0.370 1
1 5 . 20 1 1 A 2 2 SER C C 1 175.000 173.980 1.020 1
1 6 . 20 1 1 A 2 2 SER CA C 1 59.100 60.538 -1.438 1
1 7 . 20 1 1 A 2 2 SER CB C 1 63.900 61.574 2.326 1
1 8 . 20 1 1 A 2 2 SER N N 1 116.600 114.050 2.550 1
1 9 . 20 1 1 A 3 3 ALA H H 2 8.710 8.022 0.688 1
1 10 . 20 1 1 A 3 3 ALA HA H 2 4.310 4.124 0.186 1
1 14 . 20 1 1 A 3 3 ALA C C 2 178.800 179.577 -0.777 1
1 15 . 20 1 1 A 3 3 ALA CA C 2 53.800 54.666 -0.866 1
1 16 . 20 1 1 A 3 3 ALA CB C 2 18.500 18.479 0.021 1
1 17 . 20 1 1 A 3 3 ALA N N 2 125.500 122.795 2.705 1
1 18 . 20 1 1 A 4 4 ASP H H 3 8.190 8.108 0.082 1
1 19 . 20 1 1 A 4 4 ASP HA H 3 4.500 4.318 0.182 1
1 22 . 20 1 1 A 4 4 ASP C C 3 177.700 178.490 -0.790 1
1 23 . 20 1 1 A 4 4 ASP CA C 3 55.900 57.261 -1.361 1
1 24 . 20 1 1 A 4 4 ASP CB C 3 40.500 40.839 -0.339 1
1 25 . 20 1 1 A 4 4 ASP N N 3 117.800 118.534 -0.734 1
1 26 . 20 1 1 A 5 5 GLU H H 4 8.150 8.296 -0.146 1
1 27 . 20 1 1 A 5 5 GLU HA H 4 4.140 4.013 0.127 1
1 32 . 20 1 1 A 5 5 GLU C C 4 178.600 179.153 -0.553 1
1 33 . 20 1 1 A 5 5 GLU CA C 4 58.600 59.275 -0.675 1
1 34 . 20 1 1 A 5 5 GLU CB C 4 29.100 29.215 -0.115 1
1 36 . 20 1 1 A 5 5 GLU N N 4 120.800 118.909 1.891 1
1 37 . 20 1 1 A 6 6 GLU H H 5 8.250 8.095 0.155 1
1 38 . 20 1 1 A 6 6 GLU HA H 5 4.200 4.048 0.152 1
1 43 . 20 1 1 A 6 6 GLU C C 5 178.300 179.292 -0.992 1
1 44 . 20 1 1 A 6 6 GLU CA C 5 58.600 59.045 -0.445 1
1 45 . 20 1 1 A 6 6 GLU CB C 5 28.800 29.471 -0.671 1
1 47 . 20 1 1 A 6 6 GLU N N 5 120.800 120.454 0.346 1
1 48 . 20 1 1 A 7 7 LEU H H 6 7.990 7.809 0.181 1
1 49 . 20 1 1 A 7 7 LEU HA H 6 4.170 4.090 0.080 1
1 58 . 20 1 1 A 7 7 LEU C C 6 179.500 178.292 1.208 1
1 59 . 20 1 1 A 7 7 LEU CA C 6 57.500 57.770 -0.270 1
1 60 . 20 1 1 A 7 7 LEU CB C 6 41.600 41.509 0.091 1
1 64 . 20 1 1 A 7 7 LEU N N 6 120.900 120.987 -0.087 1
1 65 . 20 1 1 A 8 8 GLU H H 7 8.130 8.738 -0.608 1
1 66 . 20 1 1 A 8 8 GLU HA H 7 4.160 3.937 0.223 1
1 71 . 20 1 1 A 8 8 GLU C C 7 178.300 178.710 -0.410 1
1 72 . 20 1 1 A 8 8 GLU CA C 7 58.800 59.436 -0.636 1
1 73 . 20 1 1 A 8 8 GLU CB C 7 28.800 29.241 -0.441 1
1 75 . 20 1 1 A 8 8 GLU N N 7 120.100 119.436 0.664 1
1 76 . 20 1 1 A 9 9 ALA H H 8 8.030 8.171 -0.141 1
1 77 . 20 1 1 A 9 9 ALA HA H 8 4.090 4.107 -0.017 1
1 81 . 20 1 1 A 9 9 ALA C C 8 180.500 180.286 0.214 1
1 82 . 20 1 1 A 9 9 ALA CA C 8 55.100 55.195 -0.095 1
1 83 . 20 1 1 A 9 9 ALA CB C 8 17.900 17.961 -0.061 1
1 84 . 20 1 1 A 9 9 ALA N N 8 122.100 121.262 0.838 1
1 85 . 20 1 1 A 10 10 LEU H H 9 7.890 7.929 -0.039 1
1 86 . 20 1 1 A 10 10 LEU HA H 9 4.160 4.131 0.029 1
1 95 . 20 1 1 A 10 10 LEU C C 9 179.200 178.515 0.685 1
1 96 . 20 1 1 A 10 10 LEU CA C 9 57.500 57.648 -0.148 1
1 97 . 20 1 1 A 10 10 LEU CB C 9 41.800 41.698 0.102 1
1 101 . 20 1 1 A 10 10 LEU N N 9 119.500 120.031 -0.531 1
1 102 . 20 1 1 A 11 11 ARG H H 10 8.080 8.313 -0.233 1
1 103 . 20 1 1 A 11 11 ARG HA H 10 4.010 3.873 0.137 1
1 110 . 20 1 1 A 11 11 ARG C C 10 178.900 178.904 -0.004 1
1 111 . 20 1 1 A 11 11 ARG CA C 10 59.400 59.749 -0.349 1
1 112 . 20 1 1 A 11 11 ARG CB C 10 30.100 29.504 0.596 1
1 115 . 20 1 1 A 11 11 ARG N N 10 120.400 119.221 1.179 1
1 116 . 20 1 1 A 12 12 ARG H H 11 8.170 8.218 -0.048 1
1 117 . 20 1 1 A 12 12 ARG HA H 11 4.040 4.137 -0.097 1
1 124 . 20 1 1 A 12 12 ARG C C 11 178.900 178.902 -0.002 1
1 125 . 20 1 1 A 12 12 ARG CA C 11 59.300 59.531 -0.231 1
1 126 . 20 1 1 A 12 12 ARG CB C 11 30.000 30.029 -0.029 1
1 129 . 20 1 1 A 12 12 ARG N N 11 118.400 118.632 -0.232 1
1 130 . 20 1 1 A 13 13 GLN H H 12 8.060 8.080 -0.020 1
1 131 . 20 1 1 A 13 13 GLN HA H 12 4.150 4.000 0.150 1
1 136 . 20 1 1 A 13 13 GLN C C 12 177.900 178.598 -0.698 1
1 137 . 20 1 1 A 13 13 GLN CA C 12 58.600 59.089 -0.489 1
1 138 . 20 1 1 A 13 13 GLN CB C 12 28.500 28.197 0.303 1
1 140 . 20 1 1 A 13 13 GLN N N 12 120.400 119.203 1.197 1
1 141 . 20 1 1 A 14 14 ARG H H 13 8.180 8.141 0.039 1
1 142 . 20 1 1 A 14 14 ARG HA H 13 4.160 4.159 0.001 1
1 149 . 20 1 1 A 14 14 ARG C C 13 178.600 179.008 -0.408 1
1 150 . 20 1 1 A 14 14 ARG CA C 13 58.600 59.023 -0.423 1
1 151 . 20 1 1 A 14 14 ARG CB C 13 29.900 29.840 0.060 1
1 154 . 20 1 1 A 14 14 ARG N N 13 119.900 119.331 0.569 1
1 155 . 20 1 1 A 15 15 LEU H H 14 7.980 8.104 -0.124 1
1 156 . 20 1 1 A 15 15 LEU HA H 14 4.180 4.085 0.095 1
1 165 . 20 1 1 A 15 15 LEU C C 14 178.800 178.336 0.464 1
1 166 . 20 1 1 A 15 15 LEU CA C 14 57.300 57.739 -0.439 1
1 167 . 20 1 1 A 15 15 LEU CB C 14 41.700 41.212 0.488 1
1 171 . 20 1 1 A 15 15 LEU N N 14 119.900 121.200 -1.300 1
1 172 . 20 1 1 A 16 16 ALA H H 15 7.930 8.653 -0.723 1
1 173 . 20 1 1 A 16 16 ALA HA H 15 4.190 4.017 0.173 1
1 177 . 20 1 1 A 16 16 ALA C C 15 180.100 179.669 0.431 1
1 178 . 20 1 1 A 16 16 ALA CA C 15 54.500 55.345 -0.845 1
1 179 . 20 1 1 A 16 16 ALA CB C 15 18.000 17.826 0.174 1
1 180 . 20 1 1 A 16 16 ALA N N 15 122.000 121.031 0.969 1
1 181 . 20 1 1 A 17 17 GLU H H 16 8.010 8.112 -0.102 1
1 182 . 20 1 1 A 17 17 GLU HA H 16 4.160 4.020 0.140 1
1 187 . 20 1 1 A 17 17 GLU C C 16 178.100 179.344 -1.244 1
1 188 . 20 1 1 A 17 17 GLU CA C 16 58.100 59.548 -1.448 1
1 189 . 20 1 1 A 17 17 GLU CB C 16 28.900 29.390 -0.490 1
1 191 . 20 1 1 A 17 17 GLU N N 16 118.500 118.526 -0.026 1
1 192 . 20 1 1 A 18 18 LEU H H 17 7.890 7.593 0.297 1
1 193 . 20 1 1 A 18 18 LEU HA H 17 4.200 4.246 -0.046 1
1 203 . 20 1 1 A 18 18 LEU C C 17 178.700 176.379 2.321 1
1 204 . 20 1 1 A 18 18 LEU CA C 17 56.900 57.038 -0.138 1
1 205 . 20 1 1 A 18 18 LEU CB C 17 42.100 42.731 -0.631 1
1 209 . 20 1 1 A 18 18 LEU N N 17 120.400 120.230 0.170 1
1 210 . 20 1 1 A 19 19 GLN H H 18 8.020 7.747 0.273 1
1 211 . 20 1 1 A 19 19 GLN HA H 18 4.200 3.900 0.300 1
1 216 . 20 1 1 A 19 19 GLN C C 18 176.700 174.964 1.736 1
1 217 . 20 1 1 A 19 19 GLN CA C 18 56.900 56.885 0.015 1
1 218 . 20 1 1 A 19 19 GLN CB C 18 28.800 26.369 2.431 1
1 220 . 20 1 1 A 19 19 GLN N N 18 118.500 117.521 0.979 1
1 221 . 20 1 1 A 20 20 ALA H H 19 7.850 7.643 0.207 1
1 222 . 20 1 1 A 20 20 ALA HA H 19 4.240 4.352 -0.112 1
1 226 . 20 1 1 A 20 20 ALA C C 19 178.000 177.744 0.256 1
1 227 . 20 1 1 A 20 20 ALA CA C 19 53.100 52.513 0.587 1
1 228 . 20 1 1 A 20 20 ALA CB C 19 18.700 19.105 -0.405 1
1 229 . 20 1 1 A 20 20 ALA N N 19 122.700 120.004 2.696 1
1 230 . 20 1 1 A 21 21 LYS H H 20 7.950 8.880 -0.930 1
1 231 . 20 1 1 A 21 21 LYS HA H 20 4.260 5.071 -0.811 1
1 238 . 20 1 1 A 21 21 LYS C C 20 176.600 175.685 0.915 1
1 239 . 20 1 1 A 21 21 LYS CA C 20 56.500 55.011 1.489 1
1 240 . 20 1 1 A 21 21 LYS CB C 20 32.600 35.091 -2.491 1
1 244 . 20 1 1 A 21 21 LYS N N 20 118.800 121.695 -2.895 1
1 245 . 20 1 1 A 22 22 HIS H H 21 8.320 8.724 -0.404 1
1 246 . 20 1 1 A 22 22 HIS HA H 21 4.730 5.106 -0.376 1
1 249 . 20 1 1 A 22 22 HIS C C 21 174.800 175.246 -0.446 1
1 250 . 20 1 1 A 22 22 HIS CA C 21 55.400 54.832 0.568 1
1 251 . 20 1 1 A 22 22 HIS CB C 21 28.800 31.359 -2.559 1
1 252 . 20 1 1 A 22 22 HIS N N 21 118.600 122.770 -4.170 1
1 253 . 20 1 1 A 23 23 GLY H H 22 8.360 8.174 0.186 1
1 254 . 20 1 1 A 23 23 GLY HA2 H 22 3.960 3.712 0.248 1
1 255 . 20 1 1 A 23 23 GLY HA3 H 22 3.960 3.757 0.203 1
1 256 . 20 1 1 A 23 23 GLY C C 22 173.200 173.461 -0.261 1
1 257 . 20 1 1 A 23 23 GLY CA C 22 45.000 47.056 -2.056 1
1 258 . 20 1 1 A 23 23 GLY N N 22 109.600 108.353 1.247 1
1 259 . 20 1 1 A 24 24 ASP H H 23 8.320 8.076 0.244 1
1 260 . 20 1 1 A 24 24 ASP HA H 23 4.940 5.244 -0.304 1
1 263 . 20 1 1 A 24 24 ASP C C 23 174.900 175.150 -0.250 1
1 264 . 20 1 1 A 24 24 ASP CA C 23 52.200 51.468 0.732 1
1 265 . 20 1 1 A 24 24 ASP CB C 23 41.300 43.811 -2.511 1
1 266 . 20 1 1 A 24 24 ASP N N 23 121.600 117.582 4.018 1
1 267 . 20 1 1 A 25 25 PRO HA H 24 4.430 4.583 -0.153 1
1 274 . 20 1 1 A 25 25 PRO C C 24 177.800 177.351 0.449 1
1 275 . 20 1 1 A 25 25 PRO CA C 24 64.100 63.607 0.493 1
1 276 . 20 1 1 A 25 25 PRO CB C 24 31.900 32.492 -0.592 1
1 279 . 20 1 1 A 26 26 GLY H H 25 8.520 8.285 0.235 1
1 280 . 20 1 1 A 26 26 GLY HA2 H 25 3.940 3.921 0.019 1
1 281 . 20 1 1 A 26 26 GLY HA3 H 25 3.940 3.935 0.005 1
1 282 . 20 1 1 A 26 26 GLY C C 25 174.400 175.072 -0.672 1
1 283 . 20 1 1 A 26 26 GLY CA C 25 45.500 47.165 -1.665 1
1 284 . 20 1 1 A 26 26 GLY N N 25 108.300 109.629 -1.329 1
1 285 . 20 1 1 A 27 27 ASP H H 26 8.100 8.465 -0.365 1
1 286 . 20 1 1 A 27 27 ASP HA H 26 4.610 4.464 0.146 1
1 289 . 20 1 1 A 27 27 ASP C C 26 176.900 178.212 -1.312 1
1 290 . 20 1 1 A 27 27 ASP CA C 26 54.800 57.701 -2.901 1
1 291 . 20 1 1 A 27 27 ASP CB C 26 40.800 41.735 -0.935 1
1 292 . 20 1 1 A 27 27 ASP N N 26 120.700 124.568 -3.868 1
1 293 . 20 1 1 A 28 28 ALA H H 27 8.320 8.097 0.223 1
1 294 . 20 1 1 A 28 28 ALA HA H 27 4.180 4.018 0.162 1
1 298 . 20 1 1 A 28 28 ALA C C 27 179.300 180.176 -0.876 1
1 299 . 20 1 1 A 28 28 ALA CA C 27 54.600 54.844 -0.244 1
1 300 . 20 1 1 A 28 28 ALA CB C 27 18.400 18.143 0.257 1
1 301 . 20 1 1 A 28 28 ALA N N 27 124.100 121.348 2.752 1
1 302 . 20 1 1 A 29 29 ALA H H 28 8.250 7.742 0.508 1
1 303 . 20 1 1 A 29 29 ALA HA H 28 4.230 4.302 -0.072 1
1 307 . 20 1 1 A 29 29 ALA C C 28 180.000 179.873 0.127 1
1 308 . 20 1 1 A 29 29 ALA CA C 28 54.300 55.032 -0.732 1
1 309 . 20 1 1 A 29 29 ALA CB C 28 18.200 18.453 -0.253 1
1 310 . 20 1 1 A 29 29 ALA N N 28 121.200 120.417 0.783 1
1 311 . 20 1 1 A 30 30 GLN H H 29 8.120 7.415 0.705 1
1 312 . 20 1 1 A 30 30 GLN HA H 29 4.230 4.053 0.177 1
1 317 . 20 1 1 A 30 30 GLN C C 29 177.900 178.806 -0.906 1
1 318 . 20 1 1 A 30 30 GLN CA C 29 57.800 58.589 -0.789 1
1 319 . 20 1 1 A 30 30 GLN CB C 29 28.600 28.302 0.298 1
1 321 . 20 1 1 A 30 30 GLN N N 29 118.800 118.479 0.321 1
1 322 . 20 1 1 A 31 31 GLN H H 30 8.240 7.727 0.513 1
1 323 . 20 1 1 A 31 31 GLN HA H 30 4.120 4.192 -0.072 1
1 328 . 20 1 1 A 31 31 GLN C C 30 178.100 178.822 -0.722 1
1 329 . 20 1 1 A 31 31 GLN CA C 30 58.000 58.794 -0.794 1
1 330 . 20 1 1 A 31 31 GLN CB C 30 28.500 28.358 0.142 1
1 332 . 20 1 1 A 31 31 GLN N N 30 119.600 120.390 -0.790 1
1 333 . 20 1 1 A 32 32 GLU H H 31 8.300 8.635 -0.335 1
1 334 . 20 1 1 A 32 32 GLU HA H 31 4.190 3.989 0.201 1
1 339 . 20 1 1 A 32 32 GLU C C 31 178.100 179.077 -0.977 1
1 340 . 20 1 1 A 32 32 GLU CA C 31 58.600 59.212 -0.612 1
1 341 . 20 1 1 A 32 32 GLU CB C 31 28.800 29.684 -0.884 1
1 343 . 20 1 1 A 32 32 GLU N N 31 120.800 121.163 -0.363 1
1 344 . 20 1 1 A 33 33 ALA H H 32 8.070 8.095 -0.025 1
1 345 . 20 1 1 A 33 33 ALA HA H 32 4.160 4.057 0.103 1
1 349 . 20 1 1 A 33 33 ALA C C 32 179.900 179.208 0.692 1
1 350 . 20 1 1 A 33 33 ALA CA C 32 54.900 55.413 -0.513 1
1 351 . 20 1 1 A 33 33 ALA CB C 32 18.200 18.386 -0.186 1
1 352 . 20 1 1 A 33 33 ALA N N 32 123.000 122.484 0.516 1
1 353 . 20 1 1 A 34 34 LYS H H 33 8.050 7.917 0.133 1
1 354 . 20 1 1 A 34 34 LYS HA H 33 4.150 4.094 0.056 1
1 363 . 20 1 1 A 34 34 LYS C C 33 178.900 178.664 0.236 1
1 364 . 20 1 1 A 34 34 LYS CA C 33 58.600 59.565 -0.965 1
1 365 . 20 1 1 A 34 34 LYS CB C 33 32.300 32.066 0.234 1
1 369 . 20 1 1 A 34 34 LYS N N 33 118.600 118.850 -0.250 1
1 370 . 20 1 1 A 35 35 HIS H H 34 8.240 8.643 -0.403 1
1 371 . 20 1 1 A 35 35 HIS HA H 34 4.580 4.182 0.398 1
1 374 . 20 1 1 A 35 35 HIS C C 34 176.300 176.885 -0.585 1
1 375 . 20 1 1 A 35 35 HIS CA C 34 57.800 60.246 -2.446 1
1 376 . 20 1 1 A 35 35 HIS CB C 34 28.300 29.585 -1.285 1
1 377 . 20 1 1 A 35 35 HIS N N 34 119.100 119.812 -0.712 1
1 378 . 20 1 1 A 36 36 ARG H H 35 8.390 8.526 -0.136 1
1 379 . 20 1 1 A 36 36 ARG HA H 35 4.160 3.856 0.304 1
1 386 . 20 1 1 A 36 36 ARG C C 35 178.500 178.804 -0.304 1
1 387 . 20 1 1 A 36 36 ARG CA C 35 58.800 59.694 -0.894 1
1 388 . 20 1 1 A 36 36 ARG CB C 35 29.200 29.849 -0.649 1
1 391 . 20 1 1 A 36 36 ARG N N 35 120.600 119.999 0.601 1
1 392 . 20 1 1 A 37 37 GLU H H 36 8.240 8.531 -0.291 1
1 393 . 20 1 1 A 37 37 GLU HA H 36 4.080 4.005 0.075 1
1 398 . 20 1 1 A 37 37 GLU C C 36 178.200 179.043 -0.843 1
1 399 . 20 1 1 A 37 37 GLU CA C 36 59.100 59.305 -0.205 1
1 400 . 20 1 1 A 37 37 GLU CB C 36 29.100 29.153 -0.053 1
1 402 . 20 1 1 A 37 37 GLU N N 36 120.400 118.935 1.465 1
1 403 . 20 1 1 A 38 38 ALA H H 37 7.980 8.010 -0.030 1
1 404 . 20 1 1 A 38 38 ALA HA H 37 4.100 3.945 0.155 1
1 408 . 20 1 1 A 38 38 ALA C C 37 179.800 179.874 -0.074 1
1 409 . 20 1 1 A 38 38 ALA CA C 37 55.100 55.398 -0.298 1
1 410 . 20 1 1 A 38 38 ALA CB C 37 18.000 18.619 -0.619 1
1 411 . 20 1 1 A 38 38 ALA N N 37 122.000 122.397 -0.397 1
1 412 . 20 1 1 A 39 39 GLU H H 38 8.050 8.418 -0.368 1
1 413 . 20 1 1 A 39 39 GLU HA H 38 4.120 3.959 0.161 1
1 418 . 20 1 1 A 39 39 GLU C C 38 179.000 178.959 0.041 1
1 419 . 20 1 1 A 39 39 GLU CA C 38 58.800 59.537 -0.737 1
1 420 . 20 1 1 A 39 39 GLU CB C 38 29.100 29.202 -0.102 1
1 422 . 20 1 1 A 39 39 GLU N N 38 118.200 118.485 -0.285 1
1 423 . 20 1 1 A 40 40 MET H H 39 8.130 8.381 -0.251 1
1 424 . 20 1 1 A 40 40 MET HA H 39 4.200 4.269 -0.069 1
1 429 . 20 1 1 A 40 40 MET C C 39 178.200 178.363 -0.163 1
1 430 . 20 1 1 A 40 40 MET CA C 39 58.100 58.433 -0.333 1
1 431 . 20 1 1 A 40 40 MET CB C 39 32.300 31.759 0.541 1
1 433 . 20 1 1 A 40 40 MET N N 39 120.300 119.725 0.575 1
1 434 . 20 1 1 A 41 41 ARG HA H 40 3.890 4.097 -0.207 1
1 441 . 20 1 1 A 41 41 ARG C C 40 177.700 178.876 -1.176 1
1 442 . 20 1 1 A 41 41 ARG CA C 40 59.500 59.489 0.011 1
1 443 . 20 1 1 A 41 41 ARG CB C 40 30.300 30.038 0.262 1
1 444 . 20 1 1 A 42 42 ASN H H 41 8.190 7.976 0.214 1
1 445 . 20 1 1 A 42 42 ASN HA H 41 4.440 4.487 -0.047 1
1 450 . 20 1 1 A 42 42 ASN C C 41 177.700 177.322 0.378 1
1 451 . 20 1 1 A 42 42 ASN CA C 41 55.900 56.289 -0.389 1
1 452 . 20 1 1 A 42 42 ASN CB C 41 38.100 38.637 -0.537 1
1 453 . 20 1 1 A 42 42 ASN N N 41 116.300 118.350 -2.050 1
1 455 . 20 1 1 A 43 43 SER H H 42 8.130 8.641 -0.511 1
1 456 . 20 1 1 A 43 43 SER HA H 42 4.300 4.162 0.138 1
1 459 . 20 1 1 A 43 43 SER C C 42 176.600 176.699 -0.099 1
1 460 . 20 1 1 A 43 43 SER CA C 42 61.200 61.421 -0.221 1
1 461 . 20 1 1 A 43 43 SER CB C 42 63.100 62.271 0.829 1
1 462 . 20 1 1 A 43 43 SER N N 42 116.300 115.059 1.241 1
1 463 . 20 1 1 A 44 44 ILE H H 43 7.940 7.564 0.376 1
1 464 . 20 1 1 A 44 44 ILE HA H 43 3.860 3.784 0.076 1
1 474 . 20 1 1 A 44 44 ILE C C 43 178.400 177.912 0.488 1
1 475 . 20 1 1 A 44 44 ILE CA C 43 64.500 64.572 -0.072 1
1 476 . 20 1 1 A 44 44 ILE CB C 43 37.900 37.605 0.295 1
1 480 . 20 1 1 A 44 44 ILE N N 43 122.500 118.364 4.136 1
1 481 . 20 1 1 A 45 45 LEU H H 44 8.070 8.044 0.026 1
1 482 . 20 1 1 A 45 45 LEU HA H 44 3.940 4.158 -0.218 1
1 492 . 20 1 1 A 45 45 LEU C C 44 178.200 178.994 -0.794 1
1 493 . 20 1 1 A 45 45 LEU CA C 44 58.100 57.450 0.650 1
1 494 . 20 1 1 A 45 45 LEU CB C 44 41.100 40.921 0.179 1
1 498 . 20 1 1 A 45 45 LEU N N 44 119.100 121.842 -2.742 1
1 499 . 20 1 1 A 46 46 ALA H H 45 7.760 8.122 -0.362 1
1 500 . 20 1 1 A 46 46 ALA HA H 45 4.100 4.129 -0.029 1
1 504 . 20 1 1 A 46 46 ALA C C 45 178.700 178.558 0.142 1
1 505 . 20 1 1 A 46 46 ALA CA C 45 54.100 54.665 -0.565 1
1 506 . 20 1 1 A 46 46 ALA CB C 45 18.100 18.344 -0.244 1
1 507 . 20 1 1 A 46 46 ALA N N 45 117.600 121.601 -4.001 1
1 508 . 20 1 1 A 47 47 GLN H H 46 7.570 8.057 -0.487 1
1 509 . 20 1 1 A 47 47 GLN HA H 46 4.270 4.218 0.052 1
1 514 . 20 1 1 A 47 47 GLN C C 46 177.800 177.399 0.401 1
1 515 . 20 1 1 A 47 47 GLN CA C 46 57.300 58.188 -0.888 1
1 516 . 20 1 1 A 47 47 GLN CB C 46 29.500 28.448 1.052 1
1 518 . 20 1 1 A 47 47 GLN N N 46 114.300 116.310 -2.010 1
1 519 . 20 1 1 A 48 48 VAL H H 47 7.690 7.111 0.579 1
1 520 . 20 1 1 A 48 48 VAL HA H 47 4.380 4.015 0.365 1
1 528 . 20 1 1 A 48 48 VAL C C 47 174.400 175.910 -1.510 1
1 529 . 20 1 1 A 48 48 VAL CA C 47 62.600 64.354 -1.754 1
1 530 . 20 1 1 A 48 48 VAL CB C 47 32.800 32.880 -0.080 1
1 533 . 20 1 1 A 48 48 VAL N N 47 111.900 115.825 -3.925 1
1 534 . 20 1 1 A 49 49 LEU H H 48 7.480 7.871 -0.391 1
1 535 . 20 1 1 A 49 49 LEU HA H 48 4.910 4.355 0.555 1
1 545 . 20 1 1 A 49 49 LEU C C 48 177.000 176.093 0.907 1
1 546 . 20 1 1 A 49 49 LEU CA C 48 53.700 54.049 -0.349 1
1 547 . 20 1 1 A 49 49 LEU CB C 48 44.500 42.613 1.887 1
1 551 . 20 1 1 A 49 49 LEU N N 48 119.600 118.782 0.818 1
1 552 . 20 1 1 A 50 50 ASP H H 49 8.430 8.726 -0.296 1
1 553 . 20 1 1 A 50 50 ASP HA H 49 4.630 4.566 0.064 1
1 556 . 20 1 1 A 50 50 ASP C C 49 176.000 177.382 -1.382 1
1 557 . 20 1 1 A 50 50 ASP CA C 49 53.000 53.935 -0.935 1
1 558 . 20 1 1 A 50 50 ASP CB C 49 40.200 42.355 -2.155 1
1 559 . 20 1 1 A 50 50 ASP N N 49 121.200 125.286 -4.086 1
1 560 . 20 1 1 A 51 51 GLN H H 50 8.580 9.010 -0.430 1
1 561 . 20 1 1 A 51 51 GLN HA H 50 3.950 3.939 0.011 1
1 566 . 20 1 1 A 51 51 GLN C C 50 178.800 177.660 1.140 1
1 567 . 20 1 1 A 51 51 GLN CA C 50 60.200 58.960 1.240 1
1 568 . 20 1 1 A 51 51 GLN CB C 50 28.300 28.026 0.274 1
1 570 . 20 1 1 A 51 51 GLN N N 50 118.200 125.605 -7.405 1
1 571 . 20 1 1 A 52 52 SER H H 51 8.430 8.107 0.323 1
1 572 . 20 1 1 A 52 52 SER HA H 51 4.320 4.116 0.204 1
1 575 . 20 1 1 A 52 52 SER C C 51 177.200 176.263 0.937 1
1 576 . 20 1 1 A 52 52 SER CA C 51 61.500 61.793 -0.293 1
1 577 . 20 1 1 A 52 52 SER CB C 51 62.400 62.940 -0.540 1
1 578 . 20 1 1 A 52 52 SER N N 51 117.000 117.247 -0.247 1
1 579 . 20 1 1 A 53 53 ALA H H 52 8.760 7.710 1.050 1
1 580 . 20 1 1 A 53 53 ALA HA H 52 3.960 4.070 -0.110 1
1 584 . 20 1 1 A 53 53 ALA C C 52 178.900 179.261 -0.361 1
1 585 . 20 1 1 A 53 53 ALA CA C 52 55.400 54.982 0.418 1
1 586 . 20 1 1 A 53 53 ALA CB C 52 19.200 18.349 0.851 1
1 587 . 20 1 1 A 53 53 ALA N N 52 127.400 123.438 3.962 1
1 588 . 20 1 1 A 54 54 ARG H H 53 8.640 8.409 0.231 1
1 589 . 20 1 1 A 54 54 ARG HA H 53 3.880 3.944 -0.064 1
1 596 . 20 1 1 A 54 54 ARG C C 53 179.000 178.436 0.564 1
1 597 . 20 1 1 A 54 54 ARG CA C 53 59.700 59.642 0.058 1
1 598 . 20 1 1 A 54 54 ARG CB C 53 29.900 30.214 -0.314 1
1 601 . 20 1 1 A 54 54 ARG N N 53 118.200 118.013 0.187 1
1 602 . 20 1 1 A 55 55 ALA H H 54 7.960 8.091 -0.131 1
1 603 . 20 1 1 A 55 55 ALA HA H 54 4.190 4.011 0.179 1
1 607 . 20 1 1 A 55 55 ALA C C 54 180.100 179.232 0.868 1
1 608 . 20 1 1 A 55 55 ALA CA C 54 55.100 55.431 -0.331 1
1 609 . 20 1 1 A 55 55 ALA CB C 54 17.700 18.236 -0.536 1
1 610 . 20 1 1 A 55 55 ALA N N 54 122.200 122.022 0.178 1
1 611 . 20 1 1 A 56 56 ARG H H 55 7.800 7.933 -0.133 1
1 612 . 20 1 1 A 56 56 ARG HA H 55 4.160 4.071 0.089 1
1 619 . 20 1 1 A 56 56 ARG C C 55 178.900 178.208 0.692 1
1 620 . 20 1 1 A 56 56 ARG CA C 55 58.300 58.886 -0.586 1
1 621 . 20 1 1 A 56 56 ARG CB C 55 29.100 29.909 -0.809 1
1 624 . 20 1 1 A 56 56 ARG N N 55 119.100 118.914 0.186 1
1 625 . 20 1 1 A 57 57 LEU H H 56 8.390 8.298 0.092 1
1 626 . 20 1 1 A 57 57 LEU HA H 56 4.060 4.039 0.021 1
1 635 . 20 1 1 A 57 57 LEU C C 56 178.100 178.893 -0.793 1
1 636 . 20 1 1 A 57 57 LEU CA C 56 57.800 57.990 -0.190 1
1 637 . 20 1 1 A 57 57 LEU CB C 56 41.600 41.329 0.271 1
1 641 . 20 1 1 A 57 57 LEU N N 56 120.600 121.257 -0.657 1
1 642 . 20 1 1 A 58 58 SER H H 57 8.150 7.917 0.233 1
1 643 . 20 1 1 A 58 58 SER HA H 57 4.210 4.084 0.126 1
1 646 . 20 1 1 A 58 58 SER C C 57 176.500 177.069 -0.569 1
1 647 . 20 1 1 A 58 58 SER CA C 57 61.800 61.964 -0.164 1
1 648 . 20 1 1 A 58 58 SER CB C 57 62.600 62.880 -0.280 1
1 649 . 20 1 1 A 58 58 SER N N 57 114.100 117.175 -3.075 1
1 650 . 20 1 1 A 59 59 ASN H H 58 7.700 8.019 -0.319 1
1 651 . 20 1 1 A 59 59 ASN HA H 58 4.580 4.535 0.045 1
1 656 . 20 1 1 A 59 59 ASN C C 58 178.000 178.019 -0.019 1
1 657 . 20 1 1 A 59 59 ASN CA C 58 56.200 56.788 -0.588 1
1 658 . 20 1 1 A 59 59 ASN CB C 58 38.700 39.642 -0.942 1
1 659 . 20 1 1 A 59 59 ASN N N 58 119.500 121.190 -1.690 1
1 661 . 20 1 1 A 60 60 LEU H H 59 8.250 7.998 0.252 1
1 662 . 20 1 1 A 60 60 LEU HA H 59 4.070 4.091 -0.021 1
1 671 . 20 1 1 A 60 60 LEU C C 59 178.400 178.360 0.040 1
1 672 . 20 1 1 A 60 60 LEU CA C 59 57.500 57.457 0.043 1
1 673 . 20 1 1 A 60 60 LEU CB C 59 42.100 41.449 0.651 1
1 677 . 20 1 1 A 60 60 LEU N N 59 123.000 121.027 1.973 1
1 678 . 20 1 1 A 61 61 ALA H H 60 8.070 8.314 -0.244 1
1 679 . 20 1 1 A 61 61 ALA HA H 60 3.910 4.581 -0.671 1
1 683 . 20 1 1 A 61 61 ALA C C 60 178.400 179.887 -1.487 1
1 684 . 20 1 1 A 61 61 ALA CA C 60 54.600 54.738 -0.138 1
1 685 . 20 1 1 A 61 61 ALA CB C 60 18.200 18.403 -0.203 1
1 686 . 20 1 1 A 61 61 ALA N N 60 120.700 120.363 0.337 1
1 687 . 20 1 1 A 62 62 LEU H H 61 7.170 8.020 -0.850 1
1 688 . 20 1 1 A 62 62 LEU HA H 61 4.200 4.109 0.091 1
1 695 . 20 1 1 A 62 62 LEU C C 61 178.300 179.053 -0.753 1
1 696 . 20 1 1 A 62 62 LEU CA C 61 56.500 57.479 -0.979 1
1 697 . 20 1 1 A 62 62 LEU CB C 61 42.100 41.774 0.326 1
1 701 . 20 1 1 A 62 62 LEU N N 61 113.700 119.625 -5.925 1
1 702 . 20 1 1 A 63 63 VAL H H 62 7.330 7.029 0.301 1
1 703 . 20 1 1 A 63 63 VAL HA H 62 4.380 4.049 0.331 1
1 711 . 20 1 1 A 63 63 VAL C C 62 176.200 176.015 0.185 1
1 712 . 20 1 1 A 63 63 VAL CA C 62 62.800 64.744 -1.944 1
1 713 . 20 1 1 A 63 63 VAL CB C 62 33.900 32.020 1.880 1
1 716 . 20 1 1 A 63 63 VAL N N 62 112.500 115.129 -2.629 1
1 717 . 20 1 1 A 64 64 LYS H H 63 8.710 7.428 1.282 1
1 718 . 20 1 1 A 64 64 LYS HA H 63 5.000 4.770 0.230 1
1 727 . 20 1 1 A 64 64 LYS C C 63 174.200 175.391 -1.191 1
1 728 . 20 1 1 A 64 64 LYS CA C 63 53.600 54.505 -0.905 1
1 729 . 20 1 1 A 64 64 LYS CB C 63 33.400 34.596 -1.196 1
1 733 . 20 1 1 A 64 64 LYS N N 63 120.400 119.210 1.190 1
1 734 . 20 1 1 A 65 65 PRO HA H 64 4.360 4.889 -0.529 1
1 741 . 20 1 1 A 65 65 PRO C C 64 179.400 177.974 1.426 1
1 742 . 20 1 1 A 65 65 PRO CA C 64 66.000 64.369 1.631 1
1 743 . 20 1 1 A 65 65 PRO CB C 64 31.400 31.865 -0.465 1
1 746 . 20 1 1 A 66 66 GLU H H 65 8.920 8.380 0.540 1
1 747 . 20 1 1 A 66 66 GLU HA H 65 4.200 4.054 0.146 1
1 752 . 20 1 1 A 66 66 GLU C C 65 179.600 179.337 0.263 1
1 753 . 20 1 1 A 66 66 GLU CA C 65 59.400 59.863 -0.463 1
1 754 . 20 1 1 A 66 66 GLU CB C 65 28.300 28.947 -0.647 1
1 756 . 20 1 1 A 66 66 GLU N N 65 118.700 118.334 0.366 1
1 757 . 20 1 1 A 67 67 LYS H H 66 8.000 7.627 0.373 1
1 758 . 20 1 1 A 67 67 LYS HA H 66 4.160 4.163 -0.003 1
1 767 . 20 1 1 A 67 67 LYS C C 66 178.400 179.031 -0.631 1
1 768 . 20 1 1 A 67 67 LYS CA C 66 58.500 58.774 -0.274 1
1 769 . 20 1 1 A 67 67 LYS CB C 66 32.300 31.974 0.326 1
1 773 . 20 1 1 A 67 67 LYS N N 66 121.300 118.977 2.323 1
1 774 . 20 1 1 A 68 68 THR H H 67 7.960 7.558 0.402 1
1 775 . 20 1 1 A 68 68 THR HA H 67 4.130 3.868 0.262 1
1 780 . 20 1 1 A 68 68 THR C C 67 176.200 176.806 -0.606 1
1 781 . 20 1 1 A 68 68 THR CA C 67 67.800 67.216 0.584 1
1 782 . 20 1 1 A 68 68 THR CB C 67 67.800 68.572 -0.772 1
1 784 . 20 1 1 A 68 68 THR N N 67 114.200 116.838 -2.638 1
1 785 . 20 1 1 A 69 69 LYS H H 68 7.770 8.458 -0.688 1
1 786 . 20 1 1 A 69 69 LYS HA H 68 3.990 4.034 -0.044 1
1 795 . 20 1 1 A 69 69 LYS C C 68 178.100 178.768 -0.668 1
1 796 . 20 1 1 A 69 69 LYS CA C 68 59.400 58.953 0.447 1
1 797 . 20 1 1 A 69 69 LYS CB C 68 31.700 31.896 -0.196 1
1 801 . 20 1 1 A 69 69 LYS N N 68 122.000 120.064 1.936 1
1 802 . 20 1 1 A 70 70 ALA H H 69 7.480 7.596 -0.116 1
1 803 . 20 1 1 A 70 70 ALA HA H 69 4.240 4.014 0.226 1
1 807 . 20 1 1 A 70 70 ALA C C 69 181.200 179.796 1.404 1
1 808 . 20 1 1 A 70 70 ALA CA C 69 55.200 55.179 0.021 1
1 809 . 20 1 1 A 70 70 ALA CB C 69 17.900 18.415 -0.515 1
1 810 . 20 1 1 A 70 70 ALA N N 69 120.300 122.021 -1.721 1
1 811 . 20 1 1 A 71 71 VAL H H 70 8.160 7.888 0.272 1
1 812 . 20 1 1 A 71 71 VAL HA H 70 3.620 3.847 -0.227 1
1 820 . 20 1 1 A 71 71 VAL C C 70 177.400 178.180 -0.780 1
1 821 . 20 1 1 A 71 71 VAL CA C 70 66.600 65.283 1.317 1
1 822 . 20 1 1 A 71 71 VAL CB C 70 31.500 31.656 -0.156 1
1 825 . 20 1 1 A 71 71 VAL N N 70 120.300 116.669 3.631 1
1 826 . 20 1 1 A 72 72 GLU H H 71 8.690 8.896 -0.206 1
1 827 . 20 1 1 A 72 72 GLU HA H 71 3.800 3.981 -0.181 1
1 832 . 20 1 1 A 72 72 GLU C C 71 178.000 179.145 -1.145 1
1 833 . 20 1 1 A 72 72 GLU CA C 71 60.400 59.647 0.753 1
1 834 . 20 1 1 A 72 72 GLU CB C 71 29.200 29.096 0.104 1
1 836 . 20 1 1 A 72 72 GLU N N 71 119.300 122.365 -3.065 1
1 837 . 20 1 1 A 73 73 ASN H H 72 8.460 8.287 0.173 1
1 838 . 20 1 1 A 73 73 ASN HA H 72 4.440 4.479 -0.039 1
1 843 . 20 1 1 A 73 73 ASN C C 72 177.600 177.200 0.400 1
1 844 . 20 1 1 A 73 73 ASN CA C 72 56.200 56.298 -0.098 1
1 845 . 20 1 1 A 73 73 ASN CB C 72 37.600 38.707 -1.107 1
1 846 . 20 1 1 A 73 73 ASN N N 72 115.900 118.863 -2.963 1
1 848 . 20 1 1 A 74 74 TYR H H 73 7.940 7.905 0.035 1
1 849 . 20 1 1 A 74 74 TYR HA H 73 4.200 4.232 -0.032 1
1 856 . 20 1 1 A 74 74 TYR C C 73 177.600 176.884 0.716 1
1 857 . 20 1 1 A 74 74 TYR CA C 73 61.500 61.497 0.003 1
1 858 . 20 1 1 A 74 74 TYR CB C 73 38.400 38.839 -0.439 1
1 863 . 20 1 1 A 74 74 TYR N N 73 122.400 120.941 1.459 1
1 864 . 20 1 1 A 75 75 LEU H H 74 8.410 8.770 -0.360 1
1 865 . 20 1 1 A 75 75 LEU HA H 74 3.930 3.737 0.193 1
1 875 . 20 1 1 A 75 75 LEU C C 74 178.500 179.071 -0.571 1
1 876 . 20 1 1 A 75 75 LEU CA C 74 58.100 57.835 0.265 1
1 877 . 20 1 1 A 75 75 LEU CB C 74 42.600 41.492 1.108 1
1 881 . 20 1 1 A 75 75 LEU N N 74 119.500 119.789 -0.289 1
1 882 . 20 1 1 A 76 76 ILE H H 75 8.400 8.249 0.151 1
1 883 . 20 1 1 A 76 76 ILE HA H 75 3.570 3.418 0.152 1
1 890 . 20 1 1 A 76 76 ILE C C 75 178.100 177.896 0.204 1
1 891 . 20 1 1 A 76 76 ILE CA C 75 65.200 65.662 -0.462 1
1 892 . 20 1 1 A 76 76 ILE CB C 75 37.800 37.804 -0.004 1
1 896 . 20 1 1 A 76 76 ILE N N 75 118.600 120.169 -1.569 1
1 897 . 20 1 1 A 77 77 GLN H H 76 7.830 7.943 -0.113 1
1 898 . 20 1 1 A 77 77 GLN HA H 76 3.920 3.637 0.283 1
1 903 . 20 1 1 A 77 77 GLN C C 76 178.100 178.607 -0.507 1
1 904 . 20 1 1 A 77 77 GLN CA C 76 59.100 58.503 0.597 1
1 905 . 20 1 1 A 77 77 GLN CB C 76 28.000 28.452 -0.452 1
1 907 . 20 1 1 A 77 77 GLN N N 76 119.300 118.519 0.781 1
1 908 . 20 1 1 A 78 78 MET H H 77 8.060 8.299 -0.239 1
1 909 . 20 1 1 A 78 78 MET HA H 77 4.040 4.033 0.007 1
1 912 . 20 1 1 A 78 78 MET C C 77 178.700 178.232 0.468 1
1 913 . 20 1 1 A 78 78 MET CA C 77 58.600 59.187 -0.587 1
1 914 . 20 1 1 A 78 78 MET CB C 77 33.000 31.738 1.262 1
1 916 . 20 1 1 A 78 78 MET N N 77 117.600 118.801 -1.201 1
1 917 . 20 1 1 A 79 79 ALA H H 78 8.210 8.359 -0.149 1
1 918 . 20 1 1 A 79 79 ALA HA H 78 4.190 3.899 0.291 1
1 922 . 20 1 1 A 79 79 ALA C C 78 180.600 179.146 1.454 1
1 923 . 20 1 1 A 79 79 ALA CA C 78 54.100 55.311 -1.211 1
1 924 . 20 1 1 A 79 79 ALA CB C 78 18.400 17.700 0.700 1
1 925 . 20 1 1 A 79 79 ALA N N 78 121.400 120.971 0.429 1
1 926 . 20 1 1 A 80 80 ARG H H 79 8.120 7.421 0.699 1
1 927 . 20 1 1 A 80 80 ARG HA H 79 3.960 3.972 -0.012 1
1 934 . 20 1 1 A 80 80 ARG C C 79 177.900 178.147 -0.247 1
1 935 . 20 1 1 A 80 80 ARG CA C 79 58.800 58.998 -0.198 1
1 936 . 20 1 1 A 80 80 ARG CB C 79 29.900 29.539 0.361 1
1 939 . 20 1 1 A 80 80 ARG N N 79 119.100 118.136 0.964 1
1 940 . 20 1 1 A 81 81 TYR H H 80 7.800 7.346 0.454 1
1 941 . 20 1 1 A 81 81 TYR HA H 80 4.710 4.575 0.135 1
1 948 . 20 1 1 A 81 81 TYR C C 80 176.500 175.955 0.545 1
1 949 . 20 1 1 A 81 81 TYR CA C 80 57.500 58.009 -0.509 1
1 950 . 20 1 1 A 81 81 TYR CB C 80 38.100 38.710 -0.610 1
1 955 . 20 1 1 A 81 81 TYR N N 80 115.900 116.639 -0.739 1
1 956 . 20 1 1 A 82 82 GLY H H 81 7.850 7.526 0.324 1
1 957 . 20 1 1 A 82 82 GLY HA2 H 81 4.030 3.980 0.050 1
1 958 . 20 1 1 A 82 82 GLY HA3 H 81 4.030 3.998 0.032 1
1 959 . 20 1 1 A 82 82 GLY C C 81 174.900 175.235 -0.335 1
1 960 . 20 1 1 A 82 82 GLY CA C 81 46.300 46.624 -0.324 1
1 961 . 20 1 1 A 82 82 GLY N N 81 108.500 108.773 -0.273 1
1 962 . 20 1 1 A 83 83 GLN H H 82 8.200 8.253 -0.053 1
1 963 . 20 1 1 A 83 83 GLN HA H 82 4.310 4.351 -0.041 1
1 968 . 20 1 1 A 83 83 GLN C C 82 175.500 174.617 0.883 1
1 969 . 20 1 1 A 83 83 GLN CA C 82 55.700 56.075 -0.375 1
1 970 . 20 1 1 A 83 83 GLN CB C 82 29.400 29.247 0.153 1
1 972 . 20 1 1 A 83 83 GLN N N 82 116.900 117.114 -0.214 1
1 973 . 20 1 1 A 84 84 LEU H H 83 7.990 7.604 0.386 1
1 974 . 20 1 1 A 84 84 LEU HA H 83 4.610 4.510 0.100 1
1 984 . 20 1 1 A 84 84 LEU C C 83 176.500 176.519 -0.019 1
1 985 . 20 1 1 A 84 84 LEU CA C 83 54.300 53.912 0.388 1
1 986 . 20 1 1 A 84 84 LEU CB C 83 42.600 42.196 0.404 1
1 990 . 20 1 1 A 84 84 LEU N N 83 121.400 121.266 0.134 1
1 991 . 20 1 1 A 85 85 SER H H 84 8.630 8.880 -0.250 1
1 992 . 20 1 1 A 85 85 SER HA H 84 4.410 4.550 -0.140 1
1 995 . 20 1 1 A 85 85 SER C C 84 173.700 174.660 -0.960 1
1 996 . 20 1 1 A 85 85 SER CA C 84 59.400 60.081 -0.681 1
1 997 . 20 1 1 A 85 85 SER CB C 84 63.900 64.337 -0.437 1
1 998 . 20 1 1 A 85 85 SER N N 84 118.400 120.433 -2.033 1
1 999 . 20 1 1 A 86 86 GLU H H 85 7.690 7.905 -0.215 1
1 1000 . 20 1 1 A 86 86 GLU HA H 85 4.530 4.672 -0.142 1
1 1005 . 20 1 1 A 86 86 GLU C C 85 175.400 175.725 -0.325 1
1 1006 . 20 1 1 A 86 86 GLU CA C 85 54.900 54.927 -0.027 1
1 1007 . 20 1 1 A 86 86 GLU CB C 85 31.200 32.362 -1.162 1
1 1009 . 20 1 1 A 86 86 GLU N N 85 119.400 118.690 0.710 1
1 1010 . 20 1 1 A 87 87 LYS H H 86 8.380 8.376 0.004 1
1 1011 . 20 1 1 A 87 87 LYS HA H 86 4.230 4.615 -0.385 1
1 1018 . 20 1 1 A 87 87 LYS C C 86 176.900 176.527 0.373 1
1 1019 . 20 1 1 A 87 87 LYS CA C 86 57.000 56.763 0.237 1
1 1020 . 20 1 1 A 87 87 LYS CB C 86 33.300 33.046 0.254 1
1 1024 . 20 1 1 A 87 87 LYS N N 86 120.400 121.288 -0.888 1
1 1025 . 20 1 1 A 88 88 VAL H H 87 8.960 9.096 -0.136 1
1 1026 . 20 1 1 A 88 88 VAL HA H 87 3.970 4.587 -0.617 1
1 1034 . 20 1 1 A 88 88 VAL C C 87 174.700 175.641 -0.941 1
1 1035 . 20 1 1 A 88 88 VAL CA C 87 63.300 61.517 1.783 1
1 1036 . 20 1 1 A 88 88 VAL CB C 87 32.400 32.499 -0.099 1
1 1038 . 20 1 1 A 88 88 VAL N N 87 125.200 122.867 2.333 1
1 1039 . 20 1 1 A 89 89 SER H H 88 8.190 8.792 -0.602 1
1 1040 . 20 1 1 A 89 89 SER HA H 88 4.990 4.589 0.401 1
1 1043 . 20 1 1 A 89 89 SER C C 88 175.700 175.786 -0.086 1
1 1044 . 20 1 1 A 89 89 SER CA C 88 56.200 57.853 -1.653 1
1 1045 . 20 1 1 A 89 89 SER CB C 88 66.600 64.408 2.192 1
1 1046 . 20 1 1 A 89 89 SER N N 88 121.700 122.874 -1.174 1
1 1047 . 20 1 1 A 90 90 GLU H H 89 9.230 8.838 0.392 1
1 1048 . 20 1 1 A 90 90 GLU HA H 89 3.720 3.995 -0.275 1
1 1053 . 20 1 1 A 90 90 GLU C C 89 177.700 178.551 -0.851 1
1 1054 . 20 1 1 A 90 90 GLU CA C 89 61.200 59.685 1.515 1
1 1055 . 20 1 1 A 90 90 GLU CB C 89 29.100 29.587 -0.487 1
1 1057 . 20 1 1 A 90 90 GLU N N 89 121.600 123.793 -2.193 1
1 1058 . 20 1 1 A 91 91 GLN H H 90 8.430 8.457 -0.027 1
1 1059 . 20 1 1 A 91 91 GLN HA H 90 4.040 4.053 -0.013 1
1 1066 . 20 1 1 A 91 91 GLN C C 90 178.900 177.965 0.935 1
1 1067 . 20 1 1 A 91 91 GLN CA C 90 59.100 58.078 1.022 1
1 1068 . 20 1 1 A 91 91 GLN CB C 90 27.800 27.899 -0.099 1
1 1070 . 20 1 1 A 91 91 GLN N N 90 117.100 118.032 -0.932 1
1 1072 . 20 1 1 A 92 92 GLY H H 91 8.080 7.973 0.107 1
1 1073 . 20 1 1 A 92 92 GLY HA2 H 91 3.890 3.707 0.183 1
1 1074 . 20 1 1 A 92 92 GLY HA3 H 91 3.890 3.708 0.182 1
1 1075 . 20 1 1 A 92 92 GLY C C 91 176.600 175.587 1.013 1
1 1076 . 20 1 1 A 92 92 GLY CA C 91 46.900 46.919 -0.019 1
1 1077 . 20 1 1 A 92 92 GLY N N 91 109.400 108.653 0.747 1
1 1078 . 20 1 1 A 93 93 LEU H H 92 8.610 8.154 0.456 1
1 1079 . 20 1 1 A 93 93 LEU HA H 92 4.000 4.224 -0.224 1
1 1089 . 20 1 1 A 93 93 LEU C C 92 178.000 178.272 -0.272 1
1 1090 . 20 1 1 A 93 93 LEU CA C 92 57.500 57.296 0.204 1
1 1091 . 20 1 1 A 93 93 LEU CB C 92 41.800 41.573 0.227 1
1 1095 . 20 1 1 A 93 93 LEU N N 92 123.700 122.833 0.867 1
1 1096 . 20 1 1 A 94 94 ILE H H 93 7.970 8.436 -0.466 1
1 1097 . 20 1 1 A 94 94 ILE HA H 93 3.640 3.597 0.043 1
1 1107 . 20 1 1 A 94 94 ILE C C 93 178.500 178.453 0.047 1
1 1108 . 20 1 1 A 94 94 ILE CA C 93 64.800 65.090 -0.290 1
1 1109 . 20 1 1 A 94 94 ILE CB C 93 37.100 37.523 -0.423 1
1 1113 . 20 1 1 A 94 94 ILE N N 93 119.900 119.897 0.003 1
1 1114 . 20 1 1 A 95 95 GLU H H 94 7.610 7.889 -0.279 1
1 1115 . 20 1 1 A 95 95 GLU HA H 94 4.090 3.987 0.103 1
1 1120 . 20 1 1 A 95 95 GLU C C 94 179.400 179.304 0.096 1
1 1121 . 20 1 1 A 95 95 GLU CA C 94 59.200 59.338 -0.138 1
1 1122 . 20 1 1 A 95 95 GLU CB C 94 28.800 29.515 -0.715 1
1 1124 . 20 1 1 A 95 95 GLU N N 94 118.800 122.027 -3.227 1
1 1125 . 20 1 1 A 96 96 ILE H H 95 7.840 7.688 0.152 1
1 1126 . 20 1 1 A 96 96 ILE HA H 95 3.520 3.620 -0.100 1
1 1136 . 20 1 1 A 96 96 ILE C C 95 177.500 177.797 -0.297 1
1 1137 . 20 1 1 A 96 96 ILE CA C 95 65.500 64.820 0.680 1
1 1138 . 20 1 1 A 96 96 ILE CB C 95 37.900 37.248 0.652 1
1 1142 . 20 1 1 A 96 96 ILE N N 95 121.600 119.793 1.807 1
1 1143 . 20 1 1 A 97 97 LEU H H 96 8.620 8.414 0.206 1
1 1144 . 20 1 1 A 97 97 LEU HA H 96 3.800 3.958 -0.158 1
1 1151 . 20 1 1 A 97 97 LEU C C 96 179.400 178.225 1.175 1
1 1152 . 20 1 1 A 97 97 LEU CA C 96 58.600 58.679 -0.079 1
1 1153 . 20 1 1 A 97 97 LEU CB C 96 41.500 41.723 -0.223 1
1 1156 . 20 1 1 A 97 97 LEU N N 96 120.400 121.738 -1.338 1
1 1157 . 20 1 1 A 98 98 LYS H H 97 7.750 8.448 -0.698 1
1 1158 . 20 1 1 A 98 98 LYS HA H 97 3.990 4.020 -0.030 1
1 1167 . 20 1 1 A 98 98 LYS C C 97 178.600 178.907 -0.307 1
1 1168 . 20 1 1 A 98 98 LYS CA C 97 59.400 59.078 0.322 1
1 1169 . 20 1 1 A 98 98 LYS CB C 97 32.300 31.785 0.515 1
1 1172 . 20 1 1 A 98 98 LYS N N 97 119.000 117.577 1.423 1
1 1173 . 20 1 1 A 99 99 LYS H H 98 7.710 7.562 0.148 1
1 1174 . 20 1 1 A 99 99 LYS HA H 98 4.110 4.037 0.073 1
1 1183 . 20 1 1 A 99 99 LYS C C 98 179.100 178.938 0.162 1
1 1184 . 20 1 1 A 99 99 LYS CA C 98 59.100 59.170 -0.070 1
1 1185 . 20 1 1 A 99 99 LYS CB C 98 32.500 32.401 0.099 1
1 1189 . 20 1 1 A 99 99 LYS N N 98 119.500 119.566 -0.066 1
1 1190 . 20 1 1 A 100 100 VAL H H 99 8.210 7.878 0.332 1
1 1191 . 20 1 1 A 100 100 VAL HA H 99 3.920 3.883 0.037 1
1 1196 . 20 1 1 A 100 100 VAL C C 99 177.600 178.072 -0.472 1
1 1197 . 20 1 1 A 100 100 VAL CA C 99 64.200 64.745 -0.545 1
1 1198 . 20 1 1 A 100 100 VAL CB C 99 31.500 31.302 0.198 1
1 1200 . 20 1 1 A 100 100 VAL N N 99 115.800 117.684 -1.884 1
1 1201 . 20 1 1 A 101 101 SER H H 100 7.900 8.155 -0.255 1
1 1202 . 20 1 1 A 101 101 SER HA H 100 4.340 4.095 0.245 1
1 1205 . 20 1 1 A 101 101 SER C C 100 174.600 176.840 -2.240 1
1 1206 . 20 1 1 A 101 101 SER CA C 100 60.400 61.337 -0.937 1
1 1207 . 20 1 1 A 101 101 SER CB C 100 63.600 62.926 0.674 1
1 1208 . 20 1 1 A 101 101 SER N N 100 116.500 117.049 -0.549 1
1 1209 . 20 1 1 A 102 102 GLN H H 101 7.860 7.748 0.112 1
1 1210 . 20 1 1 A 102 102 GLN HA H 101 4.280 4.204 0.076 1
1 1215 . 20 1 1 A 102 102 GLN C C 101 176.400 177.205 -0.805 1
1 1216 . 20 1 1 A 102 102 GLN CA C 101 56.800 57.949 -1.149 1
1 1217 . 20 1 1 A 102 102 GLN CB C 101 28.900 29.358 -0.458 1
1 1219 . 20 1 1 A 102 102 GLN N N 101 120.100 120.459 -0.359 1
1 1220 . 20 1 1 A 103 103 GLN H H 102 8.080 8.242 -0.162 1
1 1221 . 20 1 1 A 103 103 GLN HA H 102 4.360 4.597 -0.237 1
1 1226 . 20 1 1 A 103 103 GLN C C 102 176.500 176.645 -0.145 1
1 1227 . 20 1 1 A 103 103 GLN CA C 102 56.700 56.331 0.369 1
1 1228 . 20 1 1 A 103 103 GLN CB C 102 29.000 30.174 -1.174 1
1 1230 . 20 1 1 A 103 103 GLN N N 102 119.700 116.124 3.576 1
1 1231 . 20 1 1 A 104 104 THR H H 103 8.070 7.607 0.463 1
1 1232 . 20 1 1 A 104 104 THR HA H 103 4.350 4.487 -0.137 1
1 1237 . 20 1 1 A 104 104 THR C C 103 174.700 174.399 0.301 1
1 1238 . 20 1 1 A 104 104 THR CA C 103 62.500 63.239 -0.739 1
1 1239 . 20 1 1 A 104 104 THR CB C 103 69.800 71.139 -1.339 1
1 1241 . 20 1 1 A 104 104 THR N N 103 113.900 109.070 4.830 1
1 1242 . 20 1 1 A 105 105 GLU H H 104 8.290 7.704 0.586 1
1 1243 . 20 1 1 A 105 105 GLU HA H 104 4.350 4.497 -0.147 1
1 1248 . 20 1 1 A 105 105 GLU C C 104 176.300 174.783 1.517 1
1 1249 . 20 1 1 A 105 105 GLU CA C 104 56.700 56.538 0.162 1
1 1250 . 20 1 1 A 105 105 GLU CB C 104 29.900 31.046 -1.146 1
1 1252 . 20 1 1 A 105 105 GLU N N 104 122.900 116.456 6.444 1
1 1253 . 20 1 1 A 106 106 LYS H H 105 8.320 8.369 -0.049 1
1 1254 . 20 1 1 A 106 106 LYS HA H 105 4.390 4.627 -0.237 1
1 1263 . 20 1 1 A 106 106 LYS C C 105 176.800 174.840 1.960 1
1 1264 . 20 1 1 A 106 106 LYS CA C 105 56.700 55.072 1.628 1
1 1265 . 20 1 1 A 106 106 LYS CB C 105 32.800 33.199 -0.399 1
1 1269 . 20 1 1 A 106 106 LYS N N 105 121.900 126.747 -4.847 1
1 1270 . 20 1 1 A 107 107 THR H H 106 8.150 7.990 0.160 1
1 1271 . 20 1 1 A 107 107 THR HA H 106 4.430 4.347 0.083 1
1 1276 . 20 1 1 A 107 107 THR C C 106 174.600 174.524 0.076 1
1 1277 . 20 1 1 A 107 107 THR CA C 106 62.000 61.717 0.283 1
1 1278 . 20 1 1 A 107 107 THR CB C 106 70.000 67.887 2.113 1
1 1280 . 20 1 1 A 107 107 THR N N 106 115.000 113.148 1.852 1
1 1281 . 20 1 1 A 108 108 THR H H 107 8.190 8.660 -0.470 1
1 1282 . 20 1 1 A 108 108 THR HA H 107 4.440 4.173 0.267 1
1 1287 . 20 1 1 A 108 108 THR C C 107 174.500 175.242 -0.742 1
1 1288 . 20 1 1 A 108 108 THR CA C 107 62.000 64.321 -2.321 1
1 1289 . 20 1 1 A 108 108 THR CB C 107 69.800 69.011 0.789 1
1 1291 . 20 1 1 A 108 108 THR N N 107 116.500 121.362 -4.862 1
1 1292 . 20 1 1 A 109 109 THR H H 108 8.170 7.805 0.365 1
1 1293 . 20 1 1 A 109 109 THR HA H 108 4.350 4.714 -0.364 1
1 1298 . 20 1 1 A 109 109 THR C C 108 174.200 173.820 0.380 1
1 1299 . 20 1 1 A 109 109 THR CA C 108 62.000 61.158 0.842 1
1 1300 . 20 1 1 A 109 109 THR CB C 108 69.800 72.519 -2.719 1
1 1302 . 20 1 1 A 109 109 THR N N 108 117.200 112.242 4.958 1
1 1303 . 20 1 1 A 110 110 VAL H H 109 8.100 8.404 -0.304 1
1 1304 . 20 1 1 A 110 110 VAL HA H 109 4.040 3.829 0.211 1
1 1312 . 20 1 1 A 110 110 VAL C C 109 175.200 175.245 -0.045 1
1 1313 . 20 1 1 A 110 110 VAL CA C 109 62.300 62.314 -0.014 1
1 1314 . 20 1 1 A 110 110 VAL CB C 109 32.600 30.150 2.450 1
1 1316 . 20 1 1 A 110 110 VAL N N 109 123.100 119.231 3.869 1
1 1317 . 20 1 1 A 111 111 LYS H H 110 8.200 7.941 0.259 1
1 1318 . 20 1 1 A 111 111 LYS HA H 110 4.310 4.562 -0.252 1
1 1327 . 20 1 1 A 111 111 LYS C C 110 175.700 177.378 -1.678 1
1 1328 . 20 1 1 A 111 111 LYS CA C 110 55.700 57.765 -2.065 1
1 1329 . 20 1 1 A 111 111 LYS CB C 110 33.300 34.618 -1.318 1
1 1333 . 20 1 1 A 111 111 LYS N N 110 125.200 127.011 -1.811 1
1 1334 . 20 1 1 A 112 112 PHE H H 111 8.310 7.788 0.522 1
1 1335 . 20 1 1 A 112 112 PHE HA H 111 4.650 4.891 -0.241 1
1 1338 . 20 1 1 A 112 112 PHE C C 111 174.500 174.786 -0.286 1
1 1339 . 20 1 1 A 112 112 PHE CA C 111 57.500 56.812 0.688 1
1 1340 . 20 1 1 A 112 112 PHE CB C 111 39.700 40.479 -0.779 1
1 1341 . 20 1 1 A 112 112 PHE N N 111 122.100 115.834 6.266 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 111 0.848 1
2 1 1 1 "RMS(OBS, PRED)" CA 111 0.759 1
3 1 1 1 "RMS(OBS, PRED)" CB 107 0.922 1
4 1 1 1 "RMS(OBS, PRED)" H 108 0.411 1
5 1 1 1 "RMS(OBS, PRED)" HA 115 0.192 1
6 1 1 1 "RMS(OBS, PRED)" N 108 2.254 1
7 1 2 1 "RMS(OBS, PRED)" C 111 0.840 1
8 1 2 1 "RMS(OBS, PRED)" CA 111 0.907 1
9 1 2 1 "RMS(OBS, PRED)" CB 107 1.062 1
10 1 2 1 "RMS(OBS, PRED)" H 108 0.424 1
11 1 2 1 "RMS(OBS, PRED)" HA 115 0.189 1
12 1 2 1 "RMS(OBS, PRED)" N 108 2.394 1
13 1 3 1 "RMS(OBS, PRED)" C 111 0.814 1
14 1 3 1 "RMS(OBS, PRED)" CA 111 0.927 1
15 1 3 1 "RMS(OBS, PRED)" CB 107 1.095 1
16 1 3 1 "RMS(OBS, PRED)" H 108 0.366 1
17 1 3 1 "RMS(OBS, PRED)" HA 115 0.223 1
18 1 3 1 "RMS(OBS, PRED)" N 108 2.381 1
19 1 4 1 "RMS(OBS, PRED)" C 111 0.830 1
20 1 4 1 "RMS(OBS, PRED)" CA 111 0.840 1
21 1 4 1 "RMS(OBS, PRED)" CB 107 0.876 1
22 1 4 1 "RMS(OBS, PRED)" H 108 0.379 1
23 1 4 1 "RMS(OBS, PRED)" HA 115 0.183 1
24 1 4 1 "RMS(OBS, PRED)" N 108 2.443 1
25 1 5 1 "RMS(OBS, PRED)" C 111 0.882 1
26 1 5 1 "RMS(OBS, PRED)" CA 111 0.897 1
27 1 5 1 "RMS(OBS, PRED)" CB 107 0.928 1
28 1 5 1 "RMS(OBS, PRED)" H 108 0.402 1
29 1 5 1 "RMS(OBS, PRED)" HA 115 0.217 1
30 1 5 1 "RMS(OBS, PRED)" N 108 2.291 1
31 1 6 1 "RMS(OBS, PRED)" C 111 0.772 1
32 1 6 1 "RMS(OBS, PRED)" CA 111 0.849 1
33 1 6 1 "RMS(OBS, PRED)" CB 107 0.974 1
34 1 6 1 "RMS(OBS, PRED)" H 108 0.365 1
35 1 6 1 "RMS(OBS, PRED)" HA 115 0.221 1
36 1 6 1 "RMS(OBS, PRED)" N 108 2.247 1
37 1 7 1 "RMS(OBS, PRED)" C 111 0.837 1
38 1 7 1 "RMS(OBS, PRED)" CA 111 0.951 1
39 1 7 1 "RMS(OBS, PRED)" CB 107 0.995 1
40 1 7 1 "RMS(OBS, PRED)" H 108 0.418 1
41 1 7 1 "RMS(OBS, PRED)" HA 115 0.238 1
42 1 7 1 "RMS(OBS, PRED)" N 108 2.317 1
43 1 8 1 "RMS(OBS, PRED)" C 111 0.750 1
44 1 8 1 "RMS(OBS, PRED)" CA 111 0.917 1
45 1 8 1 "RMS(OBS, PRED)" CB 107 0.930 1
46 1 8 1 "RMS(OBS, PRED)" H 108 0.415 1
47 1 8 1 "RMS(OBS, PRED)" HA 115 0.242 1
48 1 8 1 "RMS(OBS, PRED)" N 108 2.509 1
49 1 9 1 "RMS(OBS, PRED)" C 111 0.854 1
50 1 9 1 "RMS(OBS, PRED)" CA 111 0.941 1
51 1 9 1 "RMS(OBS, PRED)" CB 107 1.078 1
52 1 9 1 "RMS(OBS, PRED)" H 108 0.375 1
53 1 9 1 "RMS(OBS, PRED)" HA 115 0.207 1
54 1 9 1 "RMS(OBS, PRED)" N 108 2.164 1
55 1 10 1 "RMS(OBS, PRED)" C 111 0.812 1
56 1 10 1 "RMS(OBS, PRED)" CA 111 0.905 1
57 1 10 1 "RMS(OBS, PRED)" CB 107 0.895 1
58 1 10 1 "RMS(OBS, PRED)" H 108 0.364 1
59 1 10 1 "RMS(OBS, PRED)" HA 115 0.240 1
60 1 10 1 "RMS(OBS, PRED)" N 108 2.404 1
61 1 11 1 "RMS(OBS, PRED)" C 111 0.839 1
62 1 11 1 "RMS(OBS, PRED)" CA 111 0.984 1
63 1 11 1 "RMS(OBS, PRED)" CB 107 1.000 1
64 1 11 1 "RMS(OBS, PRED)" H 108 0.389 1
65 1 11 1 "RMS(OBS, PRED)" HA 115 0.233 1
66 1 11 1 "RMS(OBS, PRED)" N 108 2.587 1
67 1 12 1 "RMS(OBS, PRED)" C 111 0.839 1
68 1 12 1 "RMS(OBS, PRED)" CA 111 0.789 1
69 1 12 1 "RMS(OBS, PRED)" CB 107 0.882 1
70 1 12 1 "RMS(OBS, PRED)" H 108 0.379 1
71 1 12 1 "RMS(OBS, PRED)" HA 115 0.182 1
72 1 12 1 "RMS(OBS, PRED)" N 108 2.547 1
73 1 13 1 "RMS(OBS, PRED)" C 111 0.812 1
74 1 13 1 "RMS(OBS, PRED)" CA 111 0.962 1
75 1 13 1 "RMS(OBS, PRED)" CB 107 0.917 1
76 1 13 1 "RMS(OBS, PRED)" H 108 0.422 1
77 1 13 1 "RMS(OBS, PRED)" HA 115 0.202 1
78 1 13 1 "RMS(OBS, PRED)" N 108 2.336 1
79 1 14 1 "RMS(OBS, PRED)" C 111 0.862 1
80 1 14 1 "RMS(OBS, PRED)" CA 111 0.924 1
81 1 14 1 "RMS(OBS, PRED)" CB 107 0.840 1
82 1 14 1 "RMS(OBS, PRED)" H 108 0.383 1
83 1 14 1 "RMS(OBS, PRED)" HA 115 0.206 1
84 1 14 1 "RMS(OBS, PRED)" N 108 2.451 1
85 1 15 1 "RMS(OBS, PRED)" C 111 0.797 1
86 1 15 1 "RMS(OBS, PRED)" CA 111 0.981 1
87 1 15 1 "RMS(OBS, PRED)" CB 107 0.869 1
88 1 15 1 "RMS(OBS, PRED)" H 108 0.360 1
89 1 15 1 "RMS(OBS, PRED)" HA 115 0.192 1
90 1 15 1 "RMS(OBS, PRED)" N 108 2.305 1
91 1 16 1 "RMS(OBS, PRED)" C 111 0.804 1
92 1 16 1 "RMS(OBS, PRED)" CA 111 0.894 1
93 1 16 1 "RMS(OBS, PRED)" CB 107 0.872 1
94 1 16 1 "RMS(OBS, PRED)" H 108 0.355 1
95 1 16 1 "RMS(OBS, PRED)" HA 115 0.202 1
96 1 16 1 "RMS(OBS, PRED)" N 108 2.280 1
97 1 17 1 "RMS(OBS, PRED)" C 111 0.829 1
98 1 17 1 "RMS(OBS, PRED)" CA 111 0.992 1
99 1 17 1 "RMS(OBS, PRED)" CB 107 0.930 1
100 1 17 1 "RMS(OBS, PRED)" H 108 0.369 1
101 1 17 1 "RMS(OBS, PRED)" HA 115 0.256 1
102 1 17 1 "RMS(OBS, PRED)" N 108 2.486 1
103 1 18 1 "RMS(OBS, PRED)" C 111 0.783 1
104 1 18 1 "RMS(OBS, PRED)" CA 111 0.960 1
105 1 18 1 "RMS(OBS, PRED)" CB 107 1.025 1
106 1 18 1 "RMS(OBS, PRED)" H 108 0.376 1
107 1 18 1 "RMS(OBS, PRED)" HA 115 0.213 1
108 1 18 1 "RMS(OBS, PRED)" N 108 2.317 1
109 1 19 1 "RMS(OBS, PRED)" C 111 0.794 1
110 1 19 1 "RMS(OBS, PRED)" CA 111 0.986 1
111 1 19 1 "RMS(OBS, PRED)" CB 107 0.865 1
112 1 19 1 "RMS(OBS, PRED)" H 108 0.379 1
113 1 19 1 "RMS(OBS, PRED)" HA 115 0.177 1
114 1 19 1 "RMS(OBS, PRED)" N 108 2.668 1
115 1 20 1 "RMS(OBS, PRED)" C 111 0.831 1
116 1 20 1 "RMS(OBS, PRED)" CA 111 0.903 1
117 1 20 1 "RMS(OBS, PRED)" CB 107 0.965 1
118 1 20 1 "RMS(OBS, PRED)" H 108 0.388 1
119 1 20 1 "RMS(OBS, PRED)" HA 115 0.222 1
120 1 20 1 "RMS(OBS, PRED)" N 108 2.428 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_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
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 2 2 SER H H 1 8.780 8.540 0.240 2
1 2 . 1 1 A 2 2 SER HA H 1 4.480 4.580 -0.100 2
1 5 . 1 1 A 2 2 SER C C 1 175.000 174.888 0.112 2
1 6 . 1 1 A 2 2 SER CA C 1 59.100 58.405 0.695 2
1 7 . 1 1 A 2 2 SER CB C 1 63.900 63.222 0.678 2
1 8 . 1 1 A 2 2 SER N N 1 116.600 117.409 -0.809 2
1 9 . 1 1 A 3 3 ALA H H 2 8.710 8.593 0.117 2
1 10 . 1 1 A 3 3 ALA HA H 2 4.310 4.034 0.276 2
1 14 . 1 1 A 3 3 ALA C C 2 178.800 179.359 -0.559 2
1 15 . 1 1 A 3 3 ALA CA C 2 53.800 55.343 -1.544 2
1 16 . 1 1 A 3 3 ALA CB C 2 18.500 18.404 0.096 2
1 17 . 1 1 A 3 3 ALA N N 2 125.500 127.003 -1.503 2
1 18 . 1 1 A 4 4 ASP H H 3 8.190 8.252 -0.062 2
1 19 . 1 1 A 4 4 ASP HA H 3 4.500 4.341 0.159 2
1 22 . 1 1 A 4 4 ASP C C 3 177.700 178.593 -0.893 2
1 23 . 1 1 A 4 4 ASP CA C 3 55.900 57.135 -1.235 2
1 24 . 1 1 A 4 4 ASP CB C 3 40.500 40.629 -0.129 2
1 25 . 1 1 A 4 4 ASP N N 3 117.800 118.246 -0.446 2
1 26 . 1 1 A 5 5 GLU H H 4 8.150 8.216 -0.066 2
1 27 . 1 1 A 5 5 GLU HA H 4 4.140 4.039 0.101 2
1 32 . 1 1 A 5 5 GLU C C 4 178.600 179.065 -0.465 2
1 33 . 1 1 A 5 5 GLU CA C 4 58.600 59.449 -0.849 2
1 34 . 1 1 A 5 5 GLU CB C 4 29.100 29.302 -0.202 2
1 36 . 1 1 A 5 5 GLU N N 4 120.800 119.542 1.258 2
1 37 . 1 1 A 6 6 GLU H H 5 8.250 8.437 -0.187 2
1 38 . 1 1 A 6 6 GLU HA H 5 4.200 4.060 0.140 2
1 43 . 1 1 A 6 6 GLU C C 5 178.300 179.102 -0.802 2
1 44 . 1 1 A 6 6 GLU CA C 5 58.600 59.121 -0.521 2
1 45 . 1 1 A 6 6 GLU CB C 5 28.800 29.188 -0.388 2
1 47 . 1 1 A 6 6 GLU N N 5 120.800 119.432 1.368 2
1 48 . 1 1 A 7 7 LEU H H 6 7.990 8.072 -0.082 2
1 49 . 1 1 A 7 7 LEU HA H 6 4.170 4.069 0.101 2
1 58 . 1 1 A 7 7 LEU C C 6 179.500 178.418 1.082 2
1 59 . 1 1 A 7 7 LEU CA C 6 57.500 57.874 -0.374 2
1 60 . 1 1 A 7 7 LEU CB C 6 41.600 41.740 -0.140 2
1 64 . 1 1 A 7 7 LEU N N 6 120.900 122.022 -1.122 2
1 65 . 1 1 A 8 8 GLU H H 7 8.130 8.443 -0.313 2
1 66 . 1 1 A 8 8 GLU HA H 7 4.160 3.991 0.169 2
1 71 . 1 1 A 8 8 GLU C C 7 178.300 178.734 -0.434 2
1 72 . 1 1 A 8 8 GLU CA C 7 58.800 59.436 -0.636 2
1 73 . 1 1 A 8 8 GLU CB C 7 28.800 29.324 -0.524 2
1 75 . 1 1 A 8 8 GLU N N 7 120.100 118.674 1.427 2
1 76 . 1 1 A 9 9 ALA H H 8 8.030 8.188 -0.158 2
1 77 . 1 1 A 9 9 ALA HA H 8 4.090 4.110 -0.020 2
1 81 . 1 1 A 9 9 ALA C C 8 180.500 179.971 0.529 2
1 82 . 1 1 A 9 9 ALA CA C 8 55.100 55.152 -0.052 2
1 83 . 1 1 A 9 9 ALA CB C 8 17.900 18.189 -0.289 2
1 84 . 1 1 A 9 9 ALA N N 8 122.100 122.310 -0.210 2
1 85 . 1 1 A 10 10 LEU H H 9 7.890 8.124 -0.234 2
1 86 . 1 1 A 10 10 LEU HA H 9 4.160 4.067 0.093 2
1 95 . 1 1 A 10 10 LEU C C 9 179.200 178.570 0.630 2
1 96 . 1 1 A 10 10 LEU CA C 9 57.500 57.597 -0.097 2
1 97 . 1 1 A 10 10 LEU CB C 9 41.800 41.702 0.098 2
1 101 . 1 1 A 10 10 LEU N N 9 119.500 119.705 -0.205 2
1 102 . 1 1 A 11 11 ARG H H 10 8.080 8.118 -0.038 2
1 103 . 1 1 A 11 11 ARG HA H 10 4.010 3.881 0.129 2
1 110 . 1 1 A 11 11 ARG C C 10 178.900 178.930 -0.030 2
1 111 . 1 1 A 11 11 ARG CA C 10 59.400 59.690 -0.290 2
1 112 . 1 1 A 11 11 ARG CB C 10 30.100 29.741 0.359 2
1 115 . 1 1 A 11 11 ARG N N 10 120.400 119.147 1.253 2
1 116 . 1 1 A 12 12 ARG H H 11 8.170 8.242 -0.072 2
1 117 . 1 1 A 12 12 ARG HA H 11 4.040 4.111 -0.071 2
1 124 . 1 1 A 12 12 ARG C C 11 178.900 178.829 0.071 2
1 125 . 1 1 A 12 12 ARG CA C 11 59.300 59.434 -0.134 2
1 126 . 1 1 A 12 12 ARG CB C 11 30.000 29.901 0.099 2
1 129 . 1 1 A 12 12 ARG N N 11 118.400 118.897 -0.497 2
1 130 . 1 1 A 13 13 GLN H H 12 8.060 8.140 -0.080 2
1 131 . 1 1 A 13 13 GLN HA H 12 4.150 4.010 0.140 2
1 136 . 1 1 A 13 13 GLN C C 12 177.900 178.540 -0.640 2
1 137 . 1 1 A 13 13 GLN CA C 12 58.600 59.145 -0.545 2
1 138 . 1 1 A 13 13 GLN CB C 12 28.500 28.365 0.135 2
1 140 . 1 1 A 13 13 GLN N N 12 120.400 119.223 1.177 2
1 141 . 1 1 A 14 14 ARG H H 13 8.180 8.000 0.180 2
1 142 . 1 1 A 14 14 ARG HA H 13 4.160 4.139 0.021 2
1 149 . 1 1 A 14 14 ARG C C 13 178.600 178.735 -0.135 2
1 150 . 1 1 A 14 14 ARG CA C 13 58.600 58.790 -0.190 2
1 151 . 1 1 A 14 14 ARG CB C 13 29.900 29.994 -0.094 2
1 154 . 1 1 A 14 14 ARG N N 13 119.900 119.743 0.157 2
1 155 . 1 1 A 15 15 LEU H H 14 7.980 8.183 -0.203 2
1 156 . 1 1 A 15 15 LEU HA H 14 4.180 4.089 0.091 2
1 165 . 1 1 A 15 15 LEU C C 14 178.800 178.717 0.083 2
1 166 . 1 1 A 15 15 LEU CA C 14 57.300 57.665 -0.365 2
1 167 . 1 1 A 15 15 LEU CB C 14 41.700 41.258 0.443 2
1 171 . 1 1 A 15 15 LEU N N 14 119.900 120.931 -1.031 2
1 172 . 1 1 A 16 16 ALA H H 15 7.930 8.069 -0.139 2
1 173 . 1 1 A 16 16 ALA HA H 15 4.190 4.065 0.125 2
1 177 . 1 1 A 16 16 ALA C C 15 180.100 179.466 0.634 2
1 178 . 1 1 A 16 16 ALA CA C 15 54.500 55.109 -0.609 2
1 179 . 1 1 A 16 16 ALA CB C 15 18.000 18.046 -0.046 2
1 180 . 1 1 A 16 16 ALA N N 15 122.000 121.252 0.748 2
1 181 . 1 1 A 17 17 GLU H H 16 8.010 7.907 0.103 2
1 182 . 1 1 A 17 17 GLU HA H 16 4.160 4.068 0.092 2
1 187 . 1 1 A 17 17 GLU C C 16 178.100 179.149 -1.049 2
1 188 . 1 1 A 17 17 GLU CA C 16 58.100 59.159 -1.059 2
1 189 . 1 1 A 17 17 GLU CB C 16 28.900 29.559 -0.659 2
1 191 . 1 1 A 17 17 GLU N N 16 118.500 118.256 0.244 2
1 192 . 1 1 A 18 18 LEU H H 17 7.890 7.878 0.012 2
1 193 . 1 1 A 18 18 LEU HA H 17 4.200 4.133 0.067 2
1 203 . 1 1 A 18 18 LEU C C 17 178.700 177.047 1.653 2
1 204 . 1 1 A 18 18 LEU CA C 17 56.900 57.463 -0.563 2
1 205 . 1 1 A 18 18 LEU CB C 17 42.100 42.162 -0.062 2
1 209 . 1 1 A 18 18 LEU N N 17 120.400 121.240 -0.840 2
1 210 . 1 1 A 19 19 GLN H H 18 8.020 7.879 0.141 2
1 211 . 1 1 A 19 19 GLN HA H 18 4.200 4.159 0.041 2
1 216 . 1 1 A 19 19 GLN C C 18 176.700 175.293 1.407 2
1 217 . 1 1 A 19 19 GLN CA C 18 56.900 56.918 -0.018 2
1 218 . 1 1 A 19 19 GLN CB C 18 28.800 27.990 0.810 2
1 220 . 1 1 A 19 19 GLN N N 18 118.500 117.728 0.772 2
1 221 . 1 1 A 20 20 ALA H H 19 7.850 7.949 -0.099 2
1 222 . 1 1 A 20 20 ALA HA H 19 4.240 4.370 -0.130 2
1 226 . 1 1 A 20 20 ALA C C 19 178.000 176.916 1.084 2
1 227 . 1 1 A 20 20 ALA CA C 19 53.100 52.279 0.821 2
1 228 . 1 1 A 20 20 ALA CB C 19 18.700 19.312 -0.612 2
1 229 . 1 1 A 20 20 ALA N N 19 122.700 121.221 1.479 2
1 230 . 1 1 A 21 21 LYS H H 20 7.950 8.463 -0.513 2
1 231 . 1 1 A 21 21 LYS HA H 20 4.260 4.499 -0.239 2
1 238 . 1 1 A 21 21 LYS C C 20 176.600 176.141 0.459 2
1 239 . 1 1 A 21 21 LYS CA C 20 56.500 56.199 0.301 2
1 240 . 1 1 A 21 21 LYS CB C 20 32.600 33.133 -0.533 2
1 244 . 1 1 A 21 21 LYS N N 20 118.800 121.204 -2.404 2
1 245 . 1 1 A 22 22 HIS H H 21 8.320 8.446 -0.126 2
1 246 . 1 1 A 22 22 HIS HA H 21 4.730 4.735 -0.005 2
1 249 . 1 1 A 22 22 HIS C C 21 174.800 175.441 -0.641 2
1 250 . 1 1 A 22 22 HIS CA C 21 55.400 55.552 -0.152 2
1 251 . 1 1 A 22 22 HIS CB C 21 28.800 29.898 -1.098 2
1 252 . 1 1 A 22 22 HIS N N 21 118.600 120.819 -2.219 2
1 253 . 1 1 A 23 23 GLY H H 22 8.360 8.286 0.074 2
1 254 . 1 1 A 23 23 GLY HA2 H 22 3.960 3.876 0.084 2
1 255 . 1 1 A 23 23 GLY HA3 H 22 3.960 3.909 0.051 2
1 256 . 1 1 A 23 23 GLY C C 22 173.200 173.558 -0.358 2
1 257 . 1 1 A 23 23 GLY CA C 22 45.000 46.047 -1.047 2
1 258 . 1 1 A 23 23 GLY N N 22 109.600 108.851 0.749 2
1 259 . 1 1 A 24 24 ASP H H 23 8.320 7.891 0.429 2
1 260 . 1 1 A 24 24 ASP HA H 23 4.940 5.019 -0.079 2
1 263 . 1 1 A 24 24 ASP C C 23 174.900 175.796 -0.896 2
1 264 . 1 1 A 24 24 ASP CA C 23 52.200 51.595 0.605 2
1 265 . 1 1 A 24 24 ASP CB C 23 41.300 42.330 -1.030 2
1 266 . 1 1 A 24 24 ASP N N 23 121.600 119.846 1.754 2
1 267 . 1 1 A 25 25 PRO HA H 24 4.430 4.484 -0.054 2
1 274 . 1 1 A 25 25 PRO C C 24 177.800 177.072 0.728 2
1 275 . 1 1 A 25 25 PRO CA C 24 64.100 63.895 0.205 2
1 276 . 1 1 A 25 25 PRO CB C 24 31.900 32.121 -0.221 2
1 279 . 1 1 A 26 26 GLY H H 25 8.520 8.172 0.348 2
1 280 . 1 1 A 26 26 GLY HA2 H 25 3.940 3.936 0.004 2
1 281 . 1 1 A 26 26 GLY HA3 H 25 3.940 3.946 -0.006 2
1 282 . 1 1 A 26 26 GLY C C 25 174.400 174.762 -0.362 2
1 283 . 1 1 A 26 26 GLY CA C 25 45.500 45.910 -0.410 2
1 284 . 1 1 A 26 26 GLY N N 25 108.300 108.734 -0.434 2
1 285 . 1 1 A 27 27 ASP H H 26 8.100 8.589 -0.489 2
1 286 . 1 1 A 27 27 ASP HA H 26 4.610 4.472 0.138 2
1 289 . 1 1 A 27 27 ASP C C 26 176.900 177.778 -0.878 2
1 290 . 1 1 A 27 27 ASP CA C 26 54.800 56.698 -1.898 2
1 291 . 1 1 A 27 27 ASP CB C 26 40.800 40.970 -0.170 2
1 292 . 1 1 A 27 27 ASP N N 26 120.700 122.161 -1.461 2
1 293 . 1 1 A 28 28 ALA H H 27 8.320 8.109 0.211 2
1 294 . 1 1 A 28 28 ALA HA H 27 4.180 4.077 0.103 2
1 298 . 1 1 A 28 28 ALA C C 27 179.300 179.776 -0.476 2
1 299 . 1 1 A 28 28 ALA CA C 27 54.600 54.811 -0.211 2
1 300 . 1 1 A 28 28 ALA CB C 27 18.400 18.226 0.174 2
1 301 . 1 1 A 28 28 ALA N N 27 124.100 121.472 2.628 2
1 302 . 1 1 A 29 29 ALA H H 28 8.250 7.964 0.286 2
1 303 . 1 1 A 29 29 ALA HA H 28 4.230 4.001 0.229 2
1 307 . 1 1 A 29 29 ALA C C 28 180.000 179.690 0.310 2
1 308 . 1 1 A 29 29 ALA CA C 28 54.300 55.108 -0.808 2
1 309 . 1 1 A 29 29 ALA CB C 28 18.200 18.307 -0.107 2
1 310 . 1 1 A 29 29 ALA N N 28 121.200 120.094 1.106 2
1 311 . 1 1 A 30 30 GLN H H 29 8.120 7.901 0.219 2
1 312 . 1 1 A 30 30 GLN HA H 29 4.230 4.050 0.180 2
1 317 . 1 1 A 30 30 GLN C C 29 177.900 178.438 -0.538 2
1 318 . 1 1 A 30 30 GLN CA C 29 57.800 58.621 -0.821 2
1 319 . 1 1 A 30 30 GLN CB C 29 28.600 28.236 0.364 2
1 321 . 1 1 A 30 30 GLN N N 29 118.800 117.131 1.669 2
1 322 . 1 1 A 31 31 GLN H H 30 8.240 8.018 0.222 2
1 323 . 1 1 A 31 31 GLN HA H 30 4.120 4.056 0.064 2
1 328 . 1 1 A 31 31 GLN C C 30 178.100 178.472 -0.372 2
1 329 . 1 1 A 31 31 GLN CA C 30 58.000 59.063 -1.063 2
1 330 . 1 1 A 31 31 GLN CB C 30 28.500 28.434 0.066 2
1 332 . 1 1 A 31 31 GLN N N 30 119.600 119.675 -0.075 2
1 333 . 1 1 A 32 32 GLU H H 31 8.300 8.224 0.076 2
1 334 . 1 1 A 32 32 GLU HA H 31 4.190 4.088 0.101 2
1 339 . 1 1 A 32 32 GLU C C 31 178.100 178.817 -0.717 2
1 340 . 1 1 A 32 32 GLU CA C 31 58.600 59.270 -0.670 2
1 341 . 1 1 A 32 32 GLU CB C 31 28.800 29.312 -0.512 2
1 343 . 1 1 A 32 32 GLU N N 31 120.800 119.527 1.273 2
1 344 . 1 1 A 33 33 ALA H H 32 8.070 8.242 -0.172 2
1 345 . 1 1 A 33 33 ALA HA H 32 4.160 4.074 0.086 2
1 349 . 1 1 A 33 33 ALA C C 32 179.900 179.493 0.407 2
1 350 . 1 1 A 33 33 ALA CA C 32 54.900 55.174 -0.274 2
1 351 . 1 1 A 33 33 ALA CB C 32 18.200 18.372 -0.172 2
1 352 . 1 1 A 33 33 ALA N N 32 123.000 122.306 0.694 2
1 353 . 1 1 A 34 34 LYS H H 33 8.050 7.982 0.068 2
1 354 . 1 1 A 34 34 LYS HA H 33 4.150 4.097 0.053 2
1 363 . 1 1 A 34 34 LYS C C 33 178.900 178.913 -0.013 2
1 364 . 1 1 A 34 34 LYS CA C 33 58.600 59.172 -0.572 2
1 365 . 1 1 A 34 34 LYS CB C 33 32.300 32.003 0.297 2
1 369 . 1 1 A 34 34 LYS N N 33 118.600 119.003 -0.403 2
1 370 . 1 1 A 35 35 HIS H H 34 8.240 8.424 -0.184 2
1 371 . 1 1 A 35 35 HIS HA H 34 4.580 4.189 0.391 2
1 374 . 1 1 A 35 35 HIS C C 34 176.300 177.374 -1.074 2
1 375 . 1 1 A 35 35 HIS CA C 34 57.800 60.027 -2.227 2
1 376 . 1 1 A 35 35 HIS CB C 34 28.300 29.732 -1.432 2
1 377 . 1 1 A 35 35 HIS N N 34 119.100 119.509 -0.409 2
1 378 . 1 1 A 36 36 ARG H H 35 8.390 8.320 0.070 2
1 379 . 1 1 A 36 36 ARG HA H 35 4.160 3.918 0.242 2
1 386 . 1 1 A 36 36 ARG C C 35 178.500 178.784 -0.284 2
1 387 . 1 1 A 36 36 ARG CA C 35 58.800 59.125 -0.325 2
1 388 . 1 1 A 36 36 ARG CB C 35 29.200 29.723 -0.523 2
1 391 . 1 1 A 36 36 ARG N N 35 120.600 119.197 1.403 2
1 392 . 1 1 A 37 37 GLU H H 36 8.240 8.340 -0.100 2
1 393 . 1 1 A 37 37 GLU HA H 36 4.080 4.031 0.049 2
1 398 . 1 1 A 37 37 GLU C C 36 178.200 178.835 -0.635 2
1 399 . 1 1 A 37 37 GLU CA C 36 59.100 59.206 -0.106 2
1 400 . 1 1 A 37 37 GLU CB C 36 29.100 29.525 -0.425 2
1 402 . 1 1 A 37 37 GLU N N 36 120.400 119.557 0.843 2
1 403 . 1 1 A 38 38 ALA H H 37 7.980 8.131 -0.151 2
1 404 . 1 1 A 38 38 ALA HA H 37 4.100 4.044 0.056 2
1 408 . 1 1 A 38 38 ALA C C 37 179.800 179.553 0.247 2
1 409 . 1 1 A 38 38 ALA CA C 37 55.100 55.125 -0.025 2
1 410 . 1 1 A 38 38 ALA CB C 37 18.000 18.317 -0.317 2
1 411 . 1 1 A 38 38 ALA N N 37 122.000 122.204 -0.204 2
1 412 . 1 1 A 39 39 GLU H H 38 8.050 8.153 -0.103 2
1 413 . 1 1 A 39 39 GLU HA H 38 4.120 3.975 0.145 2
1 418 . 1 1 A 39 39 GLU C C 38 179.000 178.955 0.045 2
1 419 . 1 1 A 39 39 GLU CA C 38 58.800 59.315 -0.515 2
1 420 . 1 1 A 39 39 GLU CB C 38 29.100 29.223 -0.123 2
1 422 . 1 1 A 39 39 GLU N N 38 118.200 118.238 -0.038 2
1 423 . 1 1 A 40 40 MET H H 39 8.130 8.178 -0.048 2
1 424 . 1 1 A 40 40 MET HA H 39 4.200 4.127 0.073 2
1 429 . 1 1 A 40 40 MET C C 39 178.200 178.467 -0.267 2
1 430 . 1 1 A 40 40 MET CA C 39 58.100 58.720 -0.620 2
1 431 . 1 1 A 40 40 MET CB C 39 32.300 32.499 -0.199 2
1 433 . 1 1 A 40 40 MET N N 39 120.300 119.366 0.934 2
1 434 . 1 1 A 41 41 ARG HA H 40 3.890 4.096 -0.206 2
1 441 . 1 1 A 41 41 ARG C C 40 177.700 178.868 -1.168 2
1 442 . 1 1 A 41 41 ARG CA C 40 59.500 59.301 0.199 2
1 443 . 1 1 A 41 41 ARG CB C 40 30.300 30.033 0.267 2
1 444 . 1 1 A 42 42 ASN H H 41 8.190 8.475 -0.285 2
1 445 . 1 1 A 42 42 ASN HA H 41 4.440 4.469 -0.029 2
1 450 . 1 1 A 42 42 ASN C C 41 177.700 177.674 0.026 2
1 451 . 1 1 A 42 42 ASN CA C 41 55.900 56.433 -0.533 2
1 452 . 1 1 A 42 42 ASN CB C 41 38.100 39.069 -0.969 2
1 453 . 1 1 A 42 42 ASN N N 41 116.300 118.609 -2.309 2
1 455 . 1 1 A 43 43 SER H H 42 8.130 8.186 -0.056 2
1 456 . 1 1 A 43 43 SER HA H 42 4.300 4.130 0.171 2
1 459 . 1 1 A 43 43 SER C C 42 176.600 176.720 -0.120 2
1 460 . 1 1 A 43 43 SER CA C 42 61.200 62.085 -0.885 2
1 461 . 1 1 A 43 43 SER CB C 42 63.100 62.788 0.312 2
1 462 . 1 1 A 43 43 SER N N 42 116.300 115.959 0.341 2
1 463 . 1 1 A 44 44 ILE H H 43 7.940 7.713 0.227 2
1 464 . 1 1 A 44 44 ILE HA H 43 3.860 3.803 0.057 2
1 474 . 1 1 A 44 44 ILE C C 43 178.400 178.211 0.189 2
1 475 . 1 1 A 44 44 ILE CA C 43 64.500 64.507 -0.007 2
1 476 . 1 1 A 44 44 ILE CB C 43 37.900 37.527 0.373 2
1 480 . 1 1 A 44 44 ILE N N 43 122.500 118.738 3.762 2
1 481 . 1 1 A 45 45 LEU H H 44 8.070 8.139 -0.069 2
1 482 . 1 1 A 45 45 LEU HA H 44 3.940 4.020 -0.080 2
1 492 . 1 1 A 45 45 LEU C C 44 178.200 179.213 -1.013 2
1 493 . 1 1 A 45 45 LEU CA C 44 58.100 57.726 0.374 2
1 494 . 1 1 A 45 45 LEU CB C 44 41.100 41.046 0.054 2
1 498 . 1 1 A 45 45 LEU N N 44 119.100 122.166 -3.066 2
1 499 . 1 1 A 46 46 ALA H H 45 7.760 8.166 -0.406 2
1 500 . 1 1 A 46 46 ALA HA H 45 4.100 4.093 0.007 2
1 504 . 1 1 A 46 46 ALA C C 45 178.700 178.665 0.035 2
1 505 . 1 1 A 46 46 ALA CA C 45 54.100 54.646 -0.546 2
1 506 . 1 1 A 46 46 ALA CB C 45 18.100 18.196 -0.096 2
1 507 . 1 1 A 46 46 ALA N N 45 117.600 121.609 -4.009 2
1 508 . 1 1 A 47 47 GLN H H 46 7.570 7.532 0.038 2
1 509 . 1 1 A 47 47 GLN HA H 46 4.270 4.272 -0.002 2
1 514 . 1 1 A 47 47 GLN C C 46 177.800 177.906 -0.106 2
1 515 . 1 1 A 47 47 GLN CA C 46 57.300 57.708 -0.408 2
1 516 . 1 1 A 47 47 GLN CB C 46 29.500 29.139 0.361 2
1 518 . 1 1 A 47 47 GLN N N 46 114.300 116.211 -1.911 2
1 519 . 1 1 A 48 48 VAL H H 47 7.690 7.471 0.219 2
1 520 . 1 1 A 48 48 VAL HA H 47 4.380 4.064 0.316 2
1 528 . 1 1 A 48 48 VAL C C 47 174.400 175.868 -1.468 2
1 529 . 1 1 A 48 48 VAL CA C 47 62.600 64.503 -1.903 2
1 530 . 1 1 A 48 48 VAL CB C 47 32.800 32.437 0.363 2
1 533 . 1 1 A 48 48 VAL N N 47 111.900 115.363 -3.463 2
1 534 . 1 1 A 49 49 LEU H H 48 7.480 7.790 -0.310 2
1 535 . 1 1 A 49 49 LEU HA H 48 4.910 4.522 0.388 2
1 545 . 1 1 A 49 49 LEU C C 48 177.000 175.991 1.009 2
1 546 . 1 1 A 49 49 LEU CA C 48 53.700 53.695 0.005 2
1 547 . 1 1 A 49 49 LEU CB C 48 44.500 42.756 1.744 2
1 551 . 1 1 A 49 49 LEU N N 48 119.600 120.554 -0.954 2
1 552 . 1 1 A 50 50 ASP H H 49 8.430 8.802 -0.372 2
1 553 . 1 1 A 50 50 ASP HA H 49 4.630 4.606 0.024 2
1 556 . 1 1 A 50 50 ASP C C 49 176.000 177.295 -1.295 2
1 557 . 1 1 A 50 50 ASP CA C 49 53.000 54.020 -1.020 2
1 558 . 1 1 A 50 50 ASP CB C 49 40.200 42.553 -2.353 2
1 559 . 1 1 A 50 50 ASP N N 49 121.200 125.344 -4.144 2
1 560 . 1 1 A 51 51 GLN H H 50 8.580 8.946 -0.366 2
1 561 . 1 1 A 51 51 GLN HA H 50 3.950 3.949 0.001 2
1 566 . 1 1 A 51 51 GLN C C 50 178.800 177.719 1.081 2
1 567 . 1 1 A 51 51 GLN CA C 50 60.200 59.145 1.055 2
1 568 . 1 1 A 51 51 GLN CB C 50 28.300 28.301 -0.001 2
1 570 . 1 1 A 51 51 GLN N N 50 118.200 125.480 -7.280 2
1 571 . 1 1 A 52 52 SER H H 51 8.430 8.296 0.134 2
1 572 . 1 1 A 52 52 SER HA H 51 4.320 4.196 0.124 2
1 575 . 1 1 A 52 52 SER C C 51 177.200 176.587 0.613 2
1 576 . 1 1 A 52 52 SER CA C 51 61.500 61.540 -0.040 2
1 577 . 1 1 A 52 52 SER CB C 51 62.400 62.859 -0.459 2
1 578 . 1 1 A 52 52 SER N N 51 117.000 116.396 0.604 2
1 579 . 1 1 A 53 53 ALA H H 52 8.760 7.918 0.842 2
1 580 . 1 1 A 53 53 ALA HA H 52 3.960 4.029 -0.069 2
1 584 . 1 1 A 53 53 ALA C C 52 178.900 179.346 -0.446 2
1 585 . 1 1 A 53 53 ALA CA C 52 55.400 55.036 0.364 2
1 586 . 1 1 A 53 53 ALA CB C 52 19.200 18.272 0.928 2
1 587 . 1 1 A 53 53 ALA N N 52 127.400 123.446 3.954 2
1 588 . 1 1 A 54 54 ARG H H 53 8.640 8.305 0.335 2
1 589 . 1 1 A 54 54 ARG HA H 53 3.880 3.995 -0.115 2
1 596 . 1 1 A 54 54 ARG C C 53 179.000 178.550 0.450 2
1 597 . 1 1 A 54 54 ARG CA C 53 59.700 59.429 0.271 2
1 598 . 1 1 A 54 54 ARG CB C 53 29.900 29.939 -0.040 2
1 601 . 1 1 A 54 54 ARG N N 53 118.200 118.155 0.045 2
1 602 . 1 1 A 55 55 ALA H H 54 7.960 8.169 -0.209 2
1 603 . 1 1 A 55 55 ALA HA H 54 4.190 4.032 0.158 2
1 607 . 1 1 A 55 55 ALA C C 54 180.100 179.318 0.782 2
1 608 . 1 1 A 55 55 ALA CA C 54 55.100 55.232 -0.132 2
1 609 . 1 1 A 55 55 ALA CB C 54 17.700 18.244 -0.544 2
1 610 . 1 1 A 55 55 ALA N N 54 122.200 121.841 0.360 2
1 611 . 1 1 A 56 56 ARG H H 55 7.800 7.870 -0.070 2
1 612 . 1 1 A 56 56 ARG HA H 55 4.160 4.116 0.044 2
1 619 . 1 1 A 56 56 ARG C C 55 178.900 178.362 0.538 2
1 620 . 1 1 A 56 56 ARG CA C 55 58.300 58.827 -0.527 2
1 621 . 1 1 A 56 56 ARG CB C 55 29.100 29.900 -0.800 2
1 624 . 1 1 A 56 56 ARG N N 55 119.100 118.799 0.301 2
1 625 . 1 1 A 57 57 LEU H H 56 8.390 8.235 0.155 2
1 626 . 1 1 A 57 57 LEU HA H 56 4.060 4.075 -0.015 2
1 635 . 1 1 A 57 57 LEU C C 56 178.100 178.712 -0.612 2
1 636 . 1 1 A 57 57 LEU CA C 56 57.800 57.843 -0.043 2
1 637 . 1 1 A 57 57 LEU CB C 56 41.600 41.343 0.257 2
1 641 . 1 1 A 57 57 LEU N N 56 120.600 121.332 -0.732 2
1 642 . 1 1 A 58 58 SER H H 57 8.150 7.979 0.171 2
1 643 . 1 1 A 58 58 SER HA H 57 4.210 4.128 0.082 2
1 646 . 1 1 A 58 58 SER C C 57 176.500 176.679 -0.179 2
1 647 . 1 1 A 58 58 SER CA C 57 61.800 61.688 0.112 2
1 648 . 1 1 A 58 58 SER CB C 57 62.600 62.923 -0.323 2
1 649 . 1 1 A 58 58 SER N N 57 114.100 115.779 -1.679 2
1 650 . 1 1 A 59 59 ASN H H 58 7.700 8.110 -0.409 2
1 651 . 1 1 A 59 59 ASN HA H 58 4.580 4.482 0.098 2
1 656 . 1 1 A 59 59 ASN C C 58 178.000 177.771 0.229 2
1 657 . 1 1 A 59 59 ASN CA C 58 56.200 56.589 -0.389 2
1 658 . 1 1 A 59 59 ASN CB C 58 38.700 38.931 -0.231 2
1 659 . 1 1 A 59 59 ASN N N 58 119.500 120.287 -0.787 2
1 661 . 1 1 A 60 60 LEU H H 59 8.250 8.076 0.174 2
1 662 . 1 1 A 60 60 LEU HA H 59 4.070 4.061 0.009 2
1 671 . 1 1 A 60 60 LEU C C 59 178.400 178.998 -0.598 2
1 672 . 1 1 A 60 60 LEU CA C 59 57.500 57.771 -0.271 2
1 673 . 1 1 A 60 60 LEU CB C 59 42.100 41.207 0.893 2
1 677 . 1 1 A 60 60 LEU N N 59 123.000 120.091 2.909 2
1 678 . 1 1 A 61 61 ALA H H 60 8.070 8.132 -0.062 2
1 679 . 1 1 A 61 61 ALA HA H 60 3.910 4.392 -0.482 2
1 683 . 1 1 A 61 61 ALA C C 60 178.400 179.304 -0.904 2
1 684 . 1 1 A 61 61 ALA CA C 60 54.600 54.710 -0.110 2
1 685 . 1 1 A 61 61 ALA CB C 60 18.200 18.385 -0.185 2
1 686 . 1 1 A 61 61 ALA N N 60 120.700 121.422 -0.722 2
1 687 . 1 1 A 62 62 LEU H H 61 7.170 7.714 -0.544 2
1 688 . 1 1 A 62 62 LEU HA H 61 4.200 4.160 0.040 2
1 695 . 1 1 A 62 62 LEU C C 61 178.300 178.329 -0.029 2
1 696 . 1 1 A 62 62 LEU CA C 61 56.500 56.828 -0.328 2
1 697 . 1 1 A 62 62 LEU CB C 61 42.100 41.971 0.129 2
1 701 . 1 1 A 62 62 LEU N N 61 113.700 118.629 -4.929 2
1 702 . 1 1 A 63 63 VAL H H 62 7.330 7.328 0.002 2
1 703 . 1 1 A 63 63 VAL HA H 62 4.380 4.181 0.199 2
1 711 . 1 1 A 63 63 VAL C C 62 176.200 176.007 0.193 2
1 712 . 1 1 A 63 63 VAL CA C 62 62.800 63.693 -0.893 2
1 713 . 1 1 A 63 63 VAL CB C 62 33.900 32.698 1.202 2
1 716 . 1 1 A 63 63 VAL N N 62 112.500 112.890 -0.390 2
1 717 . 1 1 A 64 64 LYS H H 63 8.710 8.034 0.676 2
1 718 . 1 1 A 64 64 LYS HA H 63 5.000 4.717 0.283 2
1 727 . 1 1 A 64 64 LYS C C 63 174.200 175.218 -1.018 2
1 728 . 1 1 A 64 64 LYS CA C 63 53.600 53.762 -0.162 2
1 729 . 1 1 A 64 64 LYS CB C 63 33.400 33.153 0.247 2
1 733 . 1 1 A 64 64 LYS N N 63 120.400 120.147 0.253 2
1 734 . 1 1 A 65 65 PRO HA H 64 4.360 4.643 -0.283 2
1 741 . 1 1 A 65 65 PRO C C 64 179.400 178.195 1.205 2
1 742 . 1 1 A 65 65 PRO CA C 64 66.000 64.610 1.390 2
1 743 . 1 1 A 65 65 PRO CB C 64 31.400 31.992 -0.592 2
1 746 . 1 1 A 66 66 GLU H H 65 8.920 8.415 0.506 2
1 747 . 1 1 A 66 66 GLU HA H 65 4.200 4.058 0.142 2
1 752 . 1 1 A 66 66 GLU C C 65 179.600 179.309 0.291 2
1 753 . 1 1 A 66 66 GLU CA C 65 59.400 59.776 -0.376 2
1 754 . 1 1 A 66 66 GLU CB C 65 28.300 29.101 -0.801 2
1 756 . 1 1 A 66 66 GLU N N 65 118.700 118.120 0.580 2
1 757 . 1 1 A 67 67 LYS H H 66 8.000 7.717 0.283 2
1 758 . 1 1 A 67 67 LYS HA H 66 4.160 4.154 0.006 2
1 767 . 1 1 A 67 67 LYS C C 66 178.400 179.086 -0.686 2
1 768 . 1 1 A 67 67 LYS CA C 66 58.500 58.813 -0.313 2
1 769 . 1 1 A 67 67 LYS CB C 66 32.300 32.053 0.247 2
1 773 . 1 1 A 67 67 LYS N N 66 121.300 119.140 2.160 2
1 774 . 1 1 A 68 68 THR H H 67 7.960 7.713 0.247 2
1 775 . 1 1 A 68 68 THR HA H 67 4.130 3.849 0.281 2
1 780 . 1 1 A 68 68 THR C C 67 176.200 176.416 -0.216 2
1 781 . 1 1 A 68 68 THR CA C 67 67.800 67.261 0.539 2
1 782 . 1 1 A 68 68 THR CB C 67 67.800 68.428 -0.628 2
1 784 . 1 1 A 68 68 THR N N 67 114.200 117.097 -2.897 2
1 785 . 1 1 A 69 69 LYS H H 68 7.770 8.281 -0.511 2
1 786 . 1 1 A 69 69 LYS HA H 68 3.990 4.047 -0.057 2
1 795 . 1 1 A 69 69 LYS C C 68 178.100 178.773 -0.673 2
1 796 . 1 1 A 69 69 LYS CA C 68 59.400 59.200 0.199 2
1 797 . 1 1 A 69 69 LYS CB C 68 31.700 32.188 -0.488 2
1 801 . 1 1 A 69 69 LYS N N 68 122.000 120.317 1.683 2
1 802 . 1 1 A 70 70 ALA H H 69 7.480 7.645 -0.165 2
1 803 . 1 1 A 70 70 ALA HA H 69 4.240 4.060 0.180 2
1 807 . 1 1 A 70 70 ALA C C 69 181.200 179.810 1.389 2
1 808 . 1 1 A 70 70 ALA CA C 69 55.200 55.100 0.100 2
1 809 . 1 1 A 70 70 ALA CB C 69 17.900 18.437 -0.537 2
1 810 . 1 1 A 70 70 ALA N N 69 120.300 121.989 -1.689 2
1 811 . 1 1 A 71 71 VAL H H 70 8.160 8.076 0.084 2
1 812 . 1 1 A 71 71 VAL HA H 70 3.620 3.822 -0.202 2
1 820 . 1 1 A 71 71 VAL C C 70 177.400 178.129 -0.729 2
1 821 . 1 1 A 71 71 VAL CA C 70 66.600 65.214 1.386 2
1 822 . 1 1 A 71 71 VAL CB C 70 31.500 31.582 -0.082 2
1 825 . 1 1 A 71 71 VAL N N 70 120.300 116.656 3.644 2
1 826 . 1 1 A 72 72 GLU H H 71 8.690 8.794 -0.104 2
1 827 . 1 1 A 72 72 GLU HA H 71 3.800 3.971 -0.171 2
1 832 . 1 1 A 72 72 GLU C C 71 178.000 179.085 -1.085 2
1 833 . 1 1 A 72 72 GLU CA C 71 60.400 59.924 0.476 2
1 834 . 1 1 A 72 72 GLU CB C 71 29.200 29.262 -0.062 2
1 836 . 1 1 A 72 72 GLU N N 71 119.300 122.180 -2.880 2
1 837 . 1 1 A 73 73 ASN H H 72 8.460 8.155 0.305 2
1 838 . 1 1 A 73 73 ASN HA H 72 4.440 4.459 -0.019 2
1 843 . 1 1 A 73 73 ASN C C 72 177.600 177.124 0.476 2
1 844 . 1 1 A 73 73 ASN CA C 72 56.200 56.274 -0.074 2
1 845 . 1 1 A 73 73 ASN CB C 72 37.600 39.118 -1.518 2
1 846 . 1 1 A 73 73 ASN N N 72 115.900 118.441 -2.541 2
1 848 . 1 1 A 74 74 TYR H H 73 7.940 8.111 -0.171 2
1 849 . 1 1 A 74 74 TYR HA H 73 4.200 4.237 -0.037 2
1 856 . 1 1 A 74 74 TYR C C 73 177.600 177.010 0.590 2
1 857 . 1 1 A 74 74 TYR CA C 73 61.500 61.467 0.033 2
1 858 . 1 1 A 74 74 TYR CB C 73 38.400 38.763 -0.363 2
1 863 . 1 1 A 74 74 TYR N N 73 122.400 120.517 1.883 2
1 864 . 1 1 A 75 75 LEU H H 74 8.410 8.745 -0.335 2
1 865 . 1 1 A 75 75 LEU HA H 74 3.930 3.833 0.097 2
1 875 . 1 1 A 75 75 LEU C C 74 178.500 179.138 -0.638 2
1 876 . 1 1 A 75 75 LEU CA C 74 58.100 57.910 0.190 2
1 877 . 1 1 A 75 75 LEU CB C 74 42.600 41.466 1.134 2
1 881 . 1 1 A 75 75 LEU N N 74 119.500 120.000 -0.500 2
1 882 . 1 1 A 76 76 ILE H H 75 8.400 8.235 0.165 2
1 883 . 1 1 A 76 76 ILE HA H 75 3.570 3.460 0.110 2
1 890 . 1 1 A 76 76 ILE C C 75 178.100 178.110 -0.010 2
1 891 . 1 1 A 76 76 ILE CA C 75 65.200 65.482 -0.282 2
1 892 . 1 1 A 76 76 ILE CB C 75 37.800 37.792 0.008 2
1 896 . 1 1 A 76 76 ILE N N 75 118.600 119.994 -1.394 2
1 897 . 1 1 A 77 77 GLN H H 76 7.830 7.750 0.080 2
1 898 . 1 1 A 77 77 GLN HA H 76 3.920 3.843 0.077 2
1 903 . 1 1 A 77 77 GLN C C 76 178.100 178.219 -0.119 2
1 904 . 1 1 A 77 77 GLN CA C 76 59.100 58.655 0.445 2
1 905 . 1 1 A 77 77 GLN CB C 76 28.000 28.515 -0.515 2
1 907 . 1 1 A 77 77 GLN N N 76 119.300 119.210 0.090 2
1 908 . 1 1 A 78 78 MET H H 77 8.060 8.213 -0.153 2
1 909 . 1 1 A 78 78 MET HA H 77 4.040 4.053 -0.013 2
1 912 . 1 1 A 78 78 MET C C 77 178.700 177.904 0.796 2
1 913 . 1 1 A 78 78 MET CA C 77 58.600 58.391 0.209 2
1 914 . 1 1 A 78 78 MET CB C 77 33.000 32.092 0.908 2
1 916 . 1 1 A 78 78 MET N N 77 117.600 119.135 -1.535 2
1 917 . 1 1 A 79 79 ALA H H 78 8.210 8.253 -0.043 2
1 918 . 1 1 A 79 79 ALA HA H 78 4.190 3.958 0.232 2
1 922 . 1 1 A 79 79 ALA C C 78 180.600 179.642 0.958 2
1 923 . 1 1 A 79 79 ALA CA C 78 54.100 55.238 -1.138 2
1 924 . 1 1 A 79 79 ALA CB C 78 18.400 18.051 0.349 2
1 925 . 1 1 A 79 79 ALA N N 78 121.400 121.320 0.080 2
1 926 . 1 1 A 80 80 ARG H H 79 8.120 7.794 0.326 2
1 927 . 1 1 A 80 80 ARG HA H 79 3.960 4.023 -0.063 2
1 934 . 1 1 A 80 80 ARG C C 79 177.900 177.892 0.008 2
1 935 . 1 1 A 80 80 ARG CA C 79 58.800 58.496 0.304 2
1 936 . 1 1 A 80 80 ARG CB C 79 29.900 29.590 0.310 2
1 939 . 1 1 A 80 80 ARG N N 79 119.100 119.338 -0.238 2
1 940 . 1 1 A 81 81 TYR H H 80 7.800 7.393 0.407 2
1 941 . 1 1 A 81 81 TYR HA H 80 4.710 4.544 0.166 2
1 948 . 1 1 A 81 81 TYR C C 80 176.500 176.038 0.462 2
1 949 . 1 1 A 81 81 TYR CA C 80 57.500 58.291 -0.790 2
1 950 . 1 1 A 81 81 TYR CB C 80 38.100 38.695 -0.595 2
1 955 . 1 1 A 81 81 TYR N N 80 115.900 116.306 -0.407 2
1 956 . 1 1 A 82 82 GLY H H 81 7.850 7.770 0.080 2
1 957 . 1 1 A 82 82 GLY HA2 H 81 4.030 3.962 0.068 2
1 958 . 1 1 A 82 82 GLY HA3 H 81 4.030 3.974 0.056 2
1 959 . 1 1 A 82 82 GLY C C 81 174.900 175.207 -0.307 2
1 960 . 1 1 A 82 82 GLY CA C 81 46.300 46.351 -0.051 2
1 961 . 1 1 A 82 82 GLY N N 81 108.500 108.511 -0.011 2
1 962 . 1 1 A 83 83 GLN H H 82 8.200 8.046 0.154 2
1 963 . 1 1 A 83 83 GLN HA H 82 4.310 4.345 -0.035 2
1 968 . 1 1 A 83 83 GLN C C 82 175.500 175.431 0.069 2
1 969 . 1 1 A 83 83 GLN CA C 82 55.700 56.093 -0.393 2
1 970 . 1 1 A 83 83 GLN CB C 82 29.400 28.930 0.470 2
1 972 . 1 1 A 83 83 GLN N N 82 116.900 117.898 -0.998 2
1 973 . 1 1 A 84 84 LEU H H 83 7.990 7.568 0.422 2
1 974 . 1 1 A 84 84 LEU HA H 83 4.610 4.567 0.043 2
1 984 . 1 1 A 84 84 LEU C C 83 176.500 176.287 0.213 2
1 985 . 1 1 A 84 84 LEU CA C 83 54.300 53.998 0.301 2
1 986 . 1 1 A 84 84 LEU CB C 83 42.600 42.879 -0.279 2
1 990 . 1 1 A 84 84 LEU N N 83 121.400 121.063 0.337 2
1 991 . 1 1 A 85 85 SER H H 84 8.630 8.794 -0.164 2
1 992 . 1 1 A 85 85 SER HA H 84 4.410 4.649 -0.239 2
1 995 . 1 1 A 85 85 SER C C 84 173.700 174.034 -0.334 2
1 996 . 1 1 A 85 85 SER CA C 84 59.400 59.100 0.300 2
1 997 . 1 1 A 85 85 SER CB C 84 63.900 64.645 -0.745 2
1 998 . 1 1 A 85 85 SER N N 84 118.400 119.105 -0.705 2
1 999 . 1 1 A 86 86 GLU H H 85 7.690 7.846 -0.156 2
1 1000 . 1 1 A 86 86 GLU HA H 85 4.530 4.681 -0.151 2
1 1005 . 1 1 A 86 86 GLU C C 85 175.400 175.449 -0.049 2
1 1006 . 1 1 A 86 86 GLU CA C 85 54.900 55.280 -0.380 2
1 1007 . 1 1 A 86 86 GLU CB C 85 31.200 32.509 -1.309 2
1 1009 . 1 1 A 86 86 GLU N N 85 119.400 119.724 -0.324 2
1 1010 . 1 1 A 87 87 LYS H H 86 8.380 8.432 -0.052 2
1 1011 . 1 1 A 87 87 LYS HA H 86 4.230 4.635 -0.405 2
1 1018 . 1 1 A 87 87 LYS C C 86 176.900 176.587 0.313 2
1 1019 . 1 1 A 87 87 LYS CA C 86 57.000 56.266 0.735 2
1 1020 . 1 1 A 87 87 LYS CB C 86 33.300 33.206 0.094 2
1 1024 . 1 1 A 87 87 LYS N N 86 120.400 121.706 -1.306 2
1 1025 . 1 1 A 88 88 VAL H H 87 8.960 9.163 -0.203 2
1 1026 . 1 1 A 88 88 VAL HA H 87 3.970 4.311 -0.341 2
1 1034 . 1 1 A 88 88 VAL C C 87 174.700 175.857 -1.157 2
1 1035 . 1 1 A 88 88 VAL CA C 87 63.300 62.337 0.963 2
1 1036 . 1 1 A 88 88 VAL CB C 87 32.400 32.153 0.247 2
1 1038 . 1 1 A 88 88 VAL N N 87 125.200 123.972 1.228 2
1 1039 . 1 1 A 89 89 SER H H 88 8.190 8.902 -0.712 2
1 1040 . 1 1 A 89 89 SER HA H 88 4.990 4.654 0.336 2
1 1043 . 1 1 A 89 89 SER C C 88 175.700 175.716 -0.017 2
1 1044 . 1 1 A 89 89 SER CA C 88 56.200 57.596 -1.396 2
1 1045 . 1 1 A 89 89 SER CB C 88 66.600 64.788 1.812 2
1 1046 . 1 1 A 89 89 SER N N 88 121.700 122.519 -0.819 2
1 1047 . 1 1 A 90 90 GLU H H 89 9.230 8.865 0.365 2
1 1048 . 1 1 A 90 90 GLU HA H 89 3.720 3.996 -0.276 2
1 1053 . 1 1 A 90 90 GLU C C 89 177.700 178.617 -0.917 2
1 1054 . 1 1 A 90 90 GLU CA C 89 61.200 59.858 1.343 2
1 1055 . 1 1 A 90 90 GLU CB C 89 29.100 29.447 -0.347 2
1 1057 . 1 1 A 90 90 GLU N N 89 121.600 122.777 -1.177 2
1 1058 . 1 1 A 91 91 GLN H H 90 8.430 8.185 0.245 2
1 1059 . 1 1 A 91 91 GLN HA H 90 4.040 4.042 -0.002 2
1 1066 . 1 1 A 91 91 GLN C C 90 178.900 178.887 0.013 2
1 1067 . 1 1 A 91 91 GLN CA C 90 59.100 58.837 0.263 2
1 1068 . 1 1 A 91 91 GLN CB C 90 27.800 28.220 -0.420 2
1 1070 . 1 1 A 91 91 GLN N N 90 117.100 118.621 -1.521 2
1 1072 . 1 1 A 92 92 GLY H H 91 8.080 8.147 -0.067 2
1 1073 . 1 1 A 92 92 GLY HA2 H 91 3.890 3.618 0.272 2
1 1074 . 1 1 A 92 92 GLY HA3 H 91 3.890 3.623 0.267 2
1 1075 . 1 1 A 92 92 GLY C C 91 176.600 175.855 0.745 2
1 1076 . 1 1 A 92 92 GLY CA C 91 46.900 47.271 -0.371 2
1 1077 . 1 1 A 92 92 GLY N N 91 109.400 108.595 0.805 2
1 1078 . 1 1 A 93 93 LEU H H 92 8.610 8.230 0.380 2
1 1079 . 1 1 A 93 93 LEU HA H 92 4.000 4.175 -0.175 2
1 1089 . 1 1 A 93 93 LEU C C 92 178.000 178.420 -0.420 2
1 1090 . 1 1 A 93 93 LEU CA C 92 57.500 57.211 0.289 2
1 1091 . 1 1 A 93 93 LEU CB C 92 41.800 41.449 0.351 2
1 1095 . 1 1 A 93 93 LEU N N 92 123.700 122.387 1.313 2
1 1096 . 1 1 A 94 94 ILE H H 93 7.970 8.435 -0.465 2
1 1097 . 1 1 A 94 94 ILE HA H 93 3.640 3.555 0.085 2
1 1107 . 1 1 A 94 94 ILE C C 93 178.500 178.224 0.276 2
1 1108 . 1 1 A 94 94 ILE CA C 93 64.800 65.002 -0.202 2
1 1109 . 1 1 A 94 94 ILE CB C 93 37.100 37.423 -0.323 2
1 1113 . 1 1 A 94 94 ILE N N 93 119.900 119.678 0.222 2
1 1114 . 1 1 A 95 95 GLU H H 94 7.610 8.014 -0.404 2
1 1115 . 1 1 A 95 95 GLU HA H 94 4.090 4.019 0.071 2
1 1120 . 1 1 A 95 95 GLU C C 94 179.400 179.505 -0.105 2
1 1121 . 1 1 A 95 95 GLU CA C 94 59.200 59.208 -0.008 2
1 1122 . 1 1 A 95 95 GLU CB C 94 28.800 29.546 -0.746 2
1 1124 . 1 1 A 95 95 GLU N N 94 118.800 121.180 -2.380 2
1 1125 . 1 1 A 96 96 ILE H H 95 7.840 7.691 0.149 2
1 1126 . 1 1 A 96 96 ILE HA H 95 3.520 3.565 -0.045 2
1 1136 . 1 1 A 96 96 ILE C C 95 177.500 177.943 -0.443 2
1 1137 . 1 1 A 96 96 ILE CA C 95 65.500 64.932 0.568 2
1 1138 . 1 1 A 96 96 ILE CB C 95 37.900 37.610 0.290 2
1 1142 . 1 1 A 96 96 ILE N N 95 121.600 120.536 1.064 2
1 1143 . 1 1 A 97 97 LEU H H 96 8.620 8.467 0.153 2
1 1144 . 1 1 A 97 97 LEU HA H 96 3.800 3.977 -0.177 2
1 1151 . 1 1 A 97 97 LEU C C 96 179.400 178.546 0.854 2
1 1152 . 1 1 A 97 97 LEU CA C 96 58.600 58.407 0.193 2
1 1153 . 1 1 A 97 97 LEU CB C 96 41.500 41.686 -0.186 2
1 1156 . 1 1 A 97 97 LEU N N 96 120.400 121.218 -0.818 2
1 1157 . 1 1 A 98 98 LYS H H 97 7.750 8.228 -0.478 2
1 1158 . 1 1 A 98 98 LYS HA H 97 3.990 3.921 0.069 2
1 1167 . 1 1 A 98 98 LYS C C 97 178.600 179.359 -0.759 2
1 1168 . 1 1 A 98 98 LYS CA C 97 59.400 60.047 -0.647 2
1 1169 . 1 1 A 98 98 LYS CB C 97 32.300 32.080 0.220 2
1 1172 . 1 1 A 98 98 LYS N N 97 119.000 119.112 -0.112 2
1 1173 . 1 1 A 99 99 LYS H H 98 7.710 7.621 0.089 2
1 1174 . 1 1 A 99 99 LYS HA H 98 4.110 4.067 0.043 2
1 1183 . 1 1 A 99 99 LYS C C 98 179.100 178.890 0.210 2
1 1184 . 1 1 A 99 99 LYS CA C 98 59.100 59.200 -0.099 2
1 1185 . 1 1 A 99 99 LYS CB C 98 32.500 32.120 0.380 2
1 1189 . 1 1 A 99 99 LYS N N 98 119.500 119.646 -0.146 2
1 1190 . 1 1 A 100 100 VAL H H 99 8.210 7.703 0.507 2
1 1191 . 1 1 A 100 100 VAL HA H 99 3.920 3.995 -0.075 2
1 1196 . 1 1 A 100 100 VAL C C 99 177.600 177.760 -0.160 2
1 1197 . 1 1 A 100 100 VAL CA C 99 64.200 64.463 -0.263 2
1 1198 . 1 1 A 100 100 VAL CB C 99 31.500 31.335 0.165 2
1 1200 . 1 1 A 100 100 VAL N N 99 115.800 116.180 -0.380 2
1 1201 . 1 1 A 101 101 SER H H 100 7.900 8.011 -0.111 2
1 1202 . 1 1 A 101 101 SER HA H 100 4.340 4.220 0.120 2
1 1205 . 1 1 A 101 101 SER C C 100 174.600 176.030 -1.430 2
1 1206 . 1 1 A 101 101 SER CA C 100 60.400 61.289 -0.889 2
1 1207 . 1 1 A 101 101 SER CB C 100 63.600 63.146 0.454 2
1 1208 . 1 1 A 101 101 SER N N 100 116.500 117.503 -1.003 2
1 1209 . 1 1 A 102 102 GLN H H 101 7.860 7.780 0.080 2
1 1210 . 1 1 A 102 102 GLN HA H 101 4.280 4.256 0.024 2
1 1215 . 1 1 A 102 102 GLN C C 101 176.400 176.767 -0.367 2
1 1216 . 1 1 A 102 102 GLN CA C 101 56.800 57.812 -1.013 2
1 1217 . 1 1 A 102 102 GLN CB C 101 28.900 29.560 -0.660 2
1 1219 . 1 1 A 102 102 GLN N N 101 120.100 119.415 0.685 2
1 1220 . 1 1 A 103 103 GLN H H 102 8.080 7.958 0.122 2
1 1221 . 1 1 A 103 103 GLN HA H 102 4.360 4.581 -0.221 2
1 1226 . 1 1 A 103 103 GLN C C 102 176.500 175.777 0.723 2
1 1227 . 1 1 A 103 103 GLN CA C 102 56.700 56.006 0.694 2
1 1228 . 1 1 A 103 103 GLN CB C 102 29.000 30.535 -1.535 2
1 1230 . 1 1 A 103 103 GLN N N 102 119.700 115.250 4.450 2
1 1231 . 1 1 A 104 104 THR H H 103 8.070 8.129 -0.059 2
1 1232 . 1 1 A 104 104 THR HA H 103 4.350 4.414 -0.064 2
1 1237 . 1 1 A 104 104 THR C C 103 174.700 174.235 0.465 2
1 1238 . 1 1 A 104 104 THR CA C 103 62.500 62.960 -0.460 2
1 1239 . 1 1 A 104 104 THR CB C 103 69.800 70.093 -0.293 2
1 1241 . 1 1 A 104 104 THR N N 103 113.900 111.921 1.979 2
1 1242 . 1 1 A 105 105 GLU H H 104 8.290 8.031 0.259 2
1 1243 . 1 1 A 105 105 GLU HA H 104 4.350 4.591 -0.242 2
1 1248 . 1 1 A 105 105 GLU C C 104 176.300 175.215 1.085 2
1 1249 . 1 1 A 105 105 GLU CA C 104 56.700 55.996 0.704 2
1 1250 . 1 1 A 105 105 GLU CB C 104 29.900 31.504 -1.604 2
1 1252 . 1 1 A 105 105 GLU N N 104 122.900 118.356 4.544 2
1 1253 . 1 1 A 106 106 LYS H H 105 8.320 8.411 -0.091 2
1 1254 . 1 1 A 106 106 LYS HA H 105 4.390 4.512 -0.122 2
1 1263 . 1 1 A 106 106 LYS C C 105 176.800 175.672 1.129 2
1 1264 . 1 1 A 106 106 LYS CA C 105 56.700 56.081 0.619 2
1 1265 . 1 1 A 106 106 LYS CB C 105 32.800 33.521 -0.721 2
1 1269 . 1 1 A 106 106 LYS N N 105 121.900 121.915 -0.015 2
1 1270 . 1 1 A 107 107 THR H H 106 8.150 8.269 -0.119 2
1 1271 . 1 1 A 107 107 THR HA H 106 4.430 4.507 -0.077 2
1 1276 . 1 1 A 107 107 THR C C 106 174.600 173.877 0.723 2
1 1277 . 1 1 A 107 107 THR CA C 106 62.000 61.949 0.051 2
1 1278 . 1 1 A 107 107 THR CB C 106 70.000 69.120 0.880 2
1 1280 . 1 1 A 107 107 THR N N 106 115.000 115.597 -0.597 2
1 1281 . 1 1 A 108 108 THR H H 107 8.190 8.467 -0.277 2
1 1282 . 1 1 A 108 108 THR HA H 107 4.440 4.595 -0.155 2
1 1287 . 1 1 A 108 108 THR C C 107 174.500 174.097 0.403 2
1 1288 . 1 1 A 108 108 THR CA C 107 62.000 62.230 -0.230 2
1 1289 . 1 1 A 108 108 THR CB C 107 69.800 69.594 0.207 2
1 1291 . 1 1 A 108 108 THR N N 107 116.500 119.552 -3.052 2
1 1292 . 1 1 A 109 109 THR H H 108 8.170 8.349 -0.179 2
1 1293 . 1 1 A 109 109 THR HA H 108 4.350 4.502 -0.152 2
1 1298 . 1 1 A 109 109 THR C C 108 174.200 173.925 0.275 2
1 1299 . 1 1 A 109 109 THR CA C 108 62.000 62.469 -0.469 2
1 1300 . 1 1 A 109 109 THR CB C 108 69.800 69.839 -0.039 2
1 1302 . 1 1 A 109 109 THR N N 108 117.200 118.783 -1.583 2
1 1303 . 1 1 A 110 110 VAL H H 109 8.100 8.417 -0.317 2
1 1304 . 1 1 A 110 110 VAL HA H 109 4.040 4.224 -0.184 2
1 1312 . 1 1 A 110 110 VAL C C 109 175.200 175.242 -0.042 2
1 1313 . 1 1 A 110 110 VAL CA C 109 62.300 62.158 0.142 2
1 1314 . 1 1 A 110 110 VAL CB C 109 32.600 32.266 0.334 2
1 1316 . 1 1 A 110 110 VAL N N 109 123.100 122.467 0.633 2
1 1317 . 1 1 A 111 111 LYS H H 110 8.200 8.066 0.134 2
1 1318 . 1 1 A 111 111 LYS HA H 110 4.310 4.510 -0.200 2
1 1327 . 1 1 A 111 111 LYS C C 110 175.700 175.905 -0.205 2
1 1328 . 1 1 A 111 111 LYS CA C 110 55.700 55.951 -0.251 2
1 1329 . 1 1 A 111 111 LYS CB C 110 33.300 33.418 -0.118 2
1 1333 . 1 1 A 111 111 LYS N N 110 125.200 123.720 1.480 2
1 1334 . 1 1 A 112 112 PHE H H 111 8.310 8.469 -0.159 2
1 1335 . 1 1 A 112 112 PHE HA H 111 4.650 4.713 -0.063 2
1 1338 . 1 1 A 112 112 PHE C C 111 174.500 174.935 -0.435 2
1 1339 . 1 1 A 112 112 PHE CA C 111 57.500 58.230 -0.730 2
1 1340 . 1 1 A 112 112 PHE CB C 111 39.700 40.064 -0.364 2
1 1341 . 1 1 A 112 112 PHE N N 111 122.100 122.214 -0.114 2
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