data_16576_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16576
_Entry.PDB_ID 2KQ1
_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 3 3 THR HA H 3 4.250 4.615 -0.365 1
1 6 . 1 1 1 A 3 3 THR CA C 3 62.000 61.040 0.960 1
1 7 . 1 1 1 A 3 3 THR CB C 3 69.700 72.010 -2.310 1
1 9 . 1 1 1 A 4 4 PHE H H 4 8.440 8.143 0.297 1
1 10 . 1 1 1 A 4 4 PHE HA H 4 4.650 5.714 -1.064 1
1 17 . 1 1 1 A 4 4 PHE CA C 4 57.700 54.907 2.793 1
1 18 . 1 1 1 A 4 4 PHE CB C 4 39.400 42.639 -3.239 1
1 21 . 1 1 1 A 4 4 PHE N N 4 122.400 120.950 1.450 1
1 22 . 1 1 1 A 5 5 ASP H H 5 8.500 8.425 0.075 1
1 23 . 1 1 1 A 5 5 ASP HA H 5 4.600 5.033 -0.433 1
1 26 . 1 1 1 A 5 5 ASP CA C 5 53.900 53.106 0.794 1
1 27 . 1 1 1 A 5 5 ASP CB C 5 40.700 40.676 0.024 1
1 28 . 1 1 1 A 5 5 ASP N N 5 121.800 119.095 2.705 1
1 29 . 1 1 1 A 6 6 HIS H H 6 8.240 8.284 -0.044 1
1 30 . 1 1 1 A 6 6 HIS HA H 6 4.780 4.428 0.352 1
1 34 . 1 1 1 A 6 6 HIS CA C 6 55.300 58.353 -3.053 1
1 35 . 1 1 1 A 6 6 HIS CB C 6 31.500 28.479 3.021 1
1 37 . 1 1 1 A 6 6 HIS N N 6 120.400 115.677 4.723 1
1 38 . 1 1 1 A 7 7 GLY H H 7 8.660 8.859 -0.199 1
1 39 . 1 1 1 A 7 7 GLY HA2 H 7 4.500 4.337 0.163 1
1 40 . 1 1 1 A 7 7 GLY HA3 H 7 3.580 4.359 -0.779 1
1 41 . 1 1 1 A 7 7 GLY CA C 7 44.200 44.899 -0.699 1
1 42 . 1 1 1 A 7 7 GLY N N 7 109.200 107.858 1.342 1
1 43 . 1 1 1 A 8 8 ASN H H 8 8.040 8.848 -0.808 1
1 44 . 1 1 1 A 8 8 ASN HA H 8 5.500 5.997 -0.497 1
1 49 . 1 1 1 A 8 8 ASN CA C 8 52.600 51.954 0.646 1
1 50 . 1 1 1 A 8 8 ASN CB C 8 42.700 42.724 -0.024 1
1 51 . 1 1 1 A 8 8 ASN N N 8 115.100 117.402 -2.302 1
1 53 . 1 1 1 A 9 9 LEU H H 9 8.850 9.062 -0.212 1
1 54 . 1 1 1 A 9 9 LEU HA H 9 4.530 4.830 -0.300 1
1 64 . 1 1 1 A 9 9 LEU CA C 9 54.700 54.489 0.211 1
1 65 . 1 1 1 A 9 9 LEU CB C 9 47.000 45.984 1.016 1
1 69 . 1 1 1 A 9 9 LEU N N 9 123.500 122.784 0.716 1
1 70 . 1 1 1 A 10 10 SER H H 10 8.850 9.058 -0.208 1
1 71 . 1 1 1 A 10 10 SER HA H 10 5.030 4.357 0.673 1
1 74 . 1 1 1 A 10 10 SER CA C 10 57.000 59.182 -2.182 1
1 75 . 1 1 1 A 10 10 SER CB C 10 63.900 63.419 0.481 1
1 76 . 1 1 1 A 10 10 SER N N 10 121.800 122.395 -0.595 1
1 77 . 1 1 1 A 11 11 LEU H H 11 8.820 9.137 -0.317 1
1 78 . 1 1 1 A 11 11 LEU HA H 11 4.460 4.311 0.149 1
1 88 . 1 1 1 A 11 11 LEU CA C 11 54.400 55.458 -1.058 1
1 89 . 1 1 1 A 11 11 LEU CB C 11 41.900 42.725 -0.825 1
1 93 . 1 1 1 A 11 11 LEU N N 11 127.300 126.818 0.482 1
1 94 . 1 1 1 A 12 12 GLY H H 12 8.140 7.654 0.486 1
1 95 . 1 1 1 A 12 12 GLY HA2 H 12 3.720 4.067 -0.347 1
1 96 . 1 1 1 A 12 12 GLY HA3 H 12 4.080 4.108 -0.028 1
1 97 . 1 1 1 A 12 12 GLY CA C 12 44.700 43.777 0.923 1
1 98 . 1 1 1 A 12 12 GLY N N 12 108.000 105.272 2.728 1
1 99 . 1 1 1 A 13 13 GLU H H 13 8.210 8.447 -0.237 1
1 100 . 1 1 1 A 13 13 GLU HA H 13 4.560 4.861 -0.301 1
1 105 . 1 1 1 A 13 13 GLU CA C 13 55.700 55.907 -0.207 1
1 106 . 1 1 1 A 13 13 GLU CB C 13 30.300 30.869 -0.569 1
1 108 . 1 1 1 A 13 13 GLU N N 13 119.000 120.383 -1.383 1
1 109 . 1 1 1 A 14 14 LEU H H 14 9.360 9.488 -0.128 1
1 110 . 1 1 1 A 14 14 LEU HA H 14 4.720 4.850 -0.130 1
1 120 . 1 1 1 A 14 14 LEU CA C 14 53.400 53.802 -0.402 1
1 121 . 1 1 1 A 14 14 LEU CB C 14 44.200 43.508 0.692 1
1 125 . 1 1 1 A 14 14 LEU N N 14 126.700 126.932 -0.232 1
1 126 . 1 1 1 A 15 15 GLU H H 15 8.680 8.552 0.128 1
1 127 . 1 1 1 A 15 15 GLU HA H 15 4.240 4.508 -0.268 1
1 132 . 1 1 1 A 15 15 GLU CA C 15 56.900 56.364 0.536 1
1 133 . 1 1 1 A 15 15 GLU CB C 15 29.900 30.460 -0.560 1
1 135 . 1 1 1 A 15 15 GLU N N 15 120.600 122.171 -1.571 1
1 136 . 1 1 1 A 16 16 LEU H H 16 7.740 7.896 -0.156 1
1 137 . 1 1 1 A 16 16 LEU HA H 16 4.360 4.833 -0.473 1
1 147 . 1 1 1 A 16 16 LEU CA C 16 54.000 54.244 -0.244 1
1 148 . 1 1 1 A 16 16 LEU CB C 16 43.300 42.949 0.351 1
1 152 . 1 1 1 A 16 16 LEU N N 16 125.200 126.602 -1.402 1
1 153 . 1 1 1 A 17 17 THR H H 17 8.500 8.983 -0.483 1
1 154 . 1 1 1 A 17 17 THR HA H 17 4.420 4.975 -0.555 1
1 159 . 1 1 1 A 17 17 THR CA C 17 63.100 62.145 0.955 1
1 160 . 1 1 1 A 17 17 THR CB C 17 69.600 69.693 -0.093 1
1 162 . 1 1 1 A 17 17 THR N N 17 127.300 124.742 2.558 1
1 163 . 1 1 1 A 18 18 VAL H H 18 8.840 9.256 -0.416 1
1 164 . 1 1 1 A 18 18 VAL HA H 18 4.490 4.837 -0.347 1
1 172 . 1 1 1 A 18 18 VAL CA C 18 61.100 61.173 -0.073 1
1 173 . 1 1 1 A 18 18 VAL CB C 18 33.300 33.516 -0.216 1
1 176 . 1 1 1 A 18 18 VAL N N 18 127.000 127.917 -0.917 1
1 177 . 1 1 1 A 19 19 LEU H H 19 8.830 9.568 -0.738 1
1 178 . 1 1 1 A 19 19 LEU HA H 19 4.920 5.039 -0.119 1
1 188 . 1 1 1 A 19 19 LEU CA C 19 53.400 54.037 -0.637 1
1 189 . 1 1 1 A 19 19 LEU CB C 19 41.200 41.759 -0.559 1
1 193 . 1 1 1 A 19 19 LEU N N 19 128.500 128.957 -0.457 1
1 194 . 1 1 1 A 20 20 TYR H H 20 8.470 8.510 -0.040 1
1 195 . 1 1 1 A 20 20 TYR HA H 20 4.280 5.226 -0.946 1
1 202 . 1 1 1 A 20 20 TYR CA C 20 55.600 56.041 -0.441 1
1 203 . 1 1 1 A 20 20 TYR CB C 20 38.200 40.679 -2.479 1
1 206 . 1 1 1 A 20 20 TYR N N 20 120.300 121.373 -1.073 1
1 207 . 1 1 1 A 21 21 ASP H H 21 8.920 8.787 0.133 1
1 208 . 1 1 1 A 21 21 ASP HA H 21 4.640 5.076 -0.436 1
1 211 . 1 1 1 A 21 21 ASP CA C 21 53.000 52.043 0.957 1
1 212 . 1 1 1 A 21 21 ASP CB C 21 39.300 44.743 -5.443 1
1 213 . 1 1 1 A 21 21 ASP N N 21 118.600 119.405 -0.805 1
1 214 . 1 1 1 A 22 22 GLU H H 22 7.930 8.807 -0.877 1
1 215 . 1 1 1 A 22 22 GLU HA H 22 4.250 4.466 -0.216 1
1 220 . 1 1 1 A 22 22 GLU CA C 22 57.000 57.916 -0.916 1
1 221 . 1 1 1 A 22 22 GLU CB C 22 29.000 29.574 -0.574 1
1 223 . 1 1 1 A 22 22 GLU N N 22 126.600 120.211 6.389 1
1 224 . 1 1 1 A 23 23 GLU H H 23 8.060 7.824 0.236 1
1 225 . 1 1 1 A 23 23 GLU HA H 23 4.130 4.331 -0.201 1
1 230 . 1 1 1 A 23 23 GLU CA C 23 57.800 56.868 0.932 1
1 231 . 1 1 1 A 23 23 GLU CB C 23 29.500 29.912 -0.412 1
1 233 . 1 1 1 A 23 23 GLU N N 23 117.800 118.042 -0.242 1
1 234 . 1 1 1 A 24 24 ARG H H 24 7.070 7.844 -0.774 1
1 235 . 1 1 1 A 24 24 ARG HA H 24 4.170 4.267 -0.097 1
1 243 . 1 1 1 A 24 24 ARG CA C 24 56.500 57.550 -1.050 1
1 244 . 1 1 1 A 24 24 ARG CB C 24 33.500 31.919 1.581 1
1 247 . 1 1 1 A 24 24 ARG N N 24 116.700 119.268 -2.568 1
1 249 . 1 1 1 A 25 25 TYR H H 25 8.150 7.810 0.340 1
1 250 . 1 1 1 A 25 25 TYR HA H 25 5.470 5.175 0.295 1
1 257 . 1 1 1 A 25 25 TYR CA C 25 56.900 56.598 0.302 1
1 258 . 1 1 1 A 25 25 TYR CB C 25 43.100 43.299 -0.199 1
1 261 . 1 1 1 A 25 25 TYR N N 25 116.800 115.020 1.780 1
1 262 . 1 1 1 A 26 26 ASP H H 26 9.120 8.907 0.213 1
1 263 . 1 1 1 A 26 26 ASP HA H 26 5.250 5.469 -0.219 1
1 266 . 1 1 1 A 26 26 ASP CA C 26 52.400 52.530 -0.130 1
1 267 . 1 1 1 A 26 26 ASP CB C 26 44.500 45.126 -0.626 1
1 268 . 1 1 1 A 26 26 ASP N N 26 116.900 120.529 -3.629 1
1 269 . 1 1 1 A 27 27 ILE H H 27 8.640 8.890 -0.250 1
1 270 . 1 1 1 A 27 27 ILE HA H 27 4.100 4.099 0.001 1
1 280 . 1 1 1 A 27 27 ILE CA C 27 61.400 60.789 0.611 1
1 281 . 1 1 1 A 27 27 ILE CB C 27 38.600 36.870 1.730 1
1 285 . 1 1 1 A 27 27 ILE N N 27 121.200 124.389 -3.189 1
1 286 . 1 1 1 A 28 28 VAL H H 28 8.840 8.832 0.008 1
1 287 . 1 1 1 A 28 28 VAL HA H 28 3.930 4.018 -0.088 1
1 295 . 1 1 1 A 28 28 VAL CA C 28 63.800 63.986 -0.186 1
1 296 . 1 1 1 A 28 28 VAL CB C 28 32.900 32.549 0.351 1
1 299 . 1 1 1 A 28 28 VAL N N 28 128.700 129.161 -0.461 1
1 300 . 1 1 1 A 29 29 GLU H H 29 7.180 7.322 -0.142 1
1 301 . 1 1 1 A 29 29 GLU HA H 29 4.490 4.767 -0.277 1
1 306 . 1 1 1 A 29 29 GLU CA C 29 55.200 54.932 0.268 1
1 307 . 1 1 1 A 29 29 GLU CB C 29 32.900 34.212 -1.312 1
1 309 . 1 1 1 A 29 29 GLU N N 29 116.000 119.102 -3.102 1
1 310 . 1 1 1 A 30 30 GLN H H 30 8.760 8.752 0.008 1
1 311 . 1 1 1 A 30 30 GLN HA H 30 5.450 5.589 -0.139 1
1 314 . 1 1 1 A 30 30 GLN CA C 30 54.200 54.790 -0.590 1
1 315 . 1 1 1 A 30 30 GLN CB C 30 33.100 30.823 2.277 1
1 316 . 1 1 1 A 30 30 GLN N N 30 117.200 118.448 -1.248 1
1 317 . 1 1 1 A 31 31 THR H H 31 8.200 8.419 -0.219 1
1 318 . 1 1 1 A 31 31 THR HA H 31 4.160 4.744 -0.584 1
1 323 . 1 1 1 A 31 31 THR CA C 31 64.500 60.189 4.311 1
1 324 . 1 1 1 A 31 31 THR CB C 31 70.300 70.571 -0.271 1
1 326 . 1 1 1 A 31 31 THR N N 31 119.400 112.469 6.931 1
1 327 . 1 1 1 A 32 32 GLU H H 32 9.230 8.638 0.592 1
1 328 . 1 1 1 A 32 32 GLU HA H 32 4.170 4.398 -0.228 1
1 333 . 1 1 1 A 32 32 GLU CA C 32 60.000 58.527 1.473 1
1 334 . 1 1 1 A 32 32 GLU CB C 32 31.000 30.751 0.249 1
1 336 . 1 1 1 A 32 32 GLU N N 32 129.600 123.231 6.369 1
1 337 . 1 1 1 A 33 33 THR H H 33 7.510 8.046 -0.536 1
1 338 . 1 1 1 A 33 33 THR HA H 33 5.320 5.015 0.305 1
1 343 . 1 1 1 A 33 33 THR CA C 33 58.500 60.274 -1.774 1
1 344 . 1 1 1 A 33 33 THR CB C 33 73.100 71.967 1.133 1
1 346 . 1 1 1 A 33 33 THR N N 33 107.500 109.298 -1.798 1
1 347 . 1 1 1 A 34 34 VAL H H 34 8.700 8.716 -0.016 1
1 348 . 1 1 1 A 34 34 VAL HA H 34 4.670 5.011 -0.341 1
1 356 . 1 1 1 A 34 34 VAL CA C 34 59.200 58.859 0.341 1
1 357 . 1 1 1 A 34 34 VAL CB C 34 35.200 35.707 -0.507 1
1 360 . 1 1 1 A 34 34 VAL N N 34 112.000 118.249 -6.249 1
1 361 . 1 1 1 A 35 35 GLN H H 35 8.930 8.924 0.006 1
1 362 . 1 1 1 A 35 35 GLN HA H 35 4.790 5.224 -0.434 1
1 369 . 1 1 1 A 35 35 GLN CA C 35 54.800 54.418 0.382 1
1 370 . 1 1 1 A 35 35 GLN CB C 35 29.900 31.119 -1.219 1
1 372 . 1 1 1 A 35 35 GLN N N 35 123.200 122.815 0.385 1
1 374 . 1 1 1 A 36 36 VAL H H 36 7.940 8.575 -0.635 1
1 375 . 1 1 1 A 36 36 VAL HA H 36 4.850 5.058 -0.208 1
1 383 . 1 1 1 A 36 36 VAL CA C 36 61.300 59.683 1.617 1
1 384 . 1 1 1 A 36 36 VAL CB C 36 34.200 34.177 0.023 1
1 387 . 1 1 1 A 36 36 VAL N N 36 124.300 125.329 -1.029 1
1 388 . 1 1 1 A 37 37 ASP H H 37 8.670 9.829 -1.159 1
1 389 . 1 1 1 A 37 37 ASP HA H 37 5.240 5.171 0.069 1
1 392 . 1 1 1 A 37 37 ASP CA C 37 53.000 52.365 0.635 1
1 393 . 1 1 1 A 37 37 ASP CB C 37 44.700 44.420 0.280 1
1 394 . 1 1 1 A 37 37 ASP N N 37 126.900 127.172 -0.272 1
1 395 . 1 1 1 A 38 38 LEU H H 38 8.850 8.976 -0.126 1
1 396 . 1 1 1 A 38 38 LEU HA H 38 5.160 5.188 -0.028 1
1 406 . 1 1 1 A 38 38 LEU CA C 38 52.400 53.546 -1.146 1
1 407 . 1 1 1 A 38 38 LEU CB C 38 46.100 43.674 2.426 1
1 411 . 1 1 1 A 38 38 LEU N N 38 119.100 122.938 -3.838 1
1 412 . 1 1 1 A 39 39 GLU H H 39 8.380 8.568 -0.188 1
1 413 . 1 1 1 A 39 39 GLU HA H 39 5.210 5.438 -0.228 1
1 418 . 1 1 1 A 39 39 GLU CA C 39 54.600 54.618 -0.018 1
1 419 . 1 1 1 A 39 39 GLU CB C 39 33.900 32.959 0.941 1
1 421 . 1 1 1 A 39 39 GLU N N 39 120.800 121.954 -1.154 1
1 422 . 1 1 1 A 40 40 GLY H H 40 8.110 8.635 -0.525 1
1 423 . 1 1 1 A 40 40 GLY HA2 H 40 4.230 4.222 0.008 1
1 424 . 1 1 1 A 40 40 GLY HA3 H 40 3.730 4.231 -0.501 1
1 425 . 1 1 1 A 40 40 GLY CA C 40 45.000 44.966 0.034 1
1 426 . 1 1 1 A 40 40 GLY N N 40 110.000 109.019 0.981 1
1 427 . 1 1 1 A 41 41 PRO HA H 41 4.380 4.647 -0.267 1
1 434 . 1 1 1 A 41 41 PRO CA C 41 62.200 62.879 -0.679 1
1 435 . 1 1 1 A 41 41 PRO CB C 41 32.400 32.175 0.225 1
1 438 . 1 1 1 A 42 42 ARG H H 42 9.020 8.534 0.486 1
1 439 . 1 1 1 A 42 42 ARG HA H 42 3.790 3.918 -0.128 1
1 446 . 1 1 1 A 42 42 ARG CA C 42 60.400 59.149 1.251 1
1 447 . 1 1 1 A 42 42 ARG CB C 42 29.900 29.894 0.006 1
1 450 . 1 1 1 A 42 42 ARG N N 42 125.500 122.768 2.732 1
1 451 . 1 1 1 A 43 43 GLY H H 43 9.310 8.362 0.948 1
1 452 . 1 1 1 A 43 43 GLY HA2 H 43 3.890 3.716 0.174 1
1 453 . 1 1 1 A 43 43 GLY HA3 H 43 3.890 3.721 0.169 1
1 454 . 1 1 1 A 43 43 GLY CA C 43 47.000 47.591 -0.591 1
1 455 . 1 1 1 A 43 43 GLY N N 43 107.200 108.645 -1.445 1
1 456 . 1 1 1 A 44 44 VAL H H 44 6.930 8.070 -1.140 1
1 457 . 1 1 1 A 44 44 VAL HA H 44 3.800 3.805 -0.005 1
1 465 . 1 1 1 A 44 44 VAL CA C 44 65.100 66.034 -0.934 1
1 466 . 1 1 1 A 44 44 VAL CB C 44 32.000 31.826 0.174 1
1 469 . 1 1 1 A 44 44 VAL N N 44 121.100 122.262 -1.162 1
1 470 . 1 1 1 A 45 45 LEU H H 45 7.830 7.453 0.377 1
1 471 . 1 1 1 A 45 45 LEU HA H 45 3.890 4.055 -0.165 1
1 481 . 1 1 1 A 45 45 LEU CA C 45 58.100 58.080 0.020 1
1 482 . 1 1 1 A 45 45 LEU CB C 45 41.800 41.620 0.180 1
1 486 . 1 1 1 A 45 45 LEU N N 45 120.700 119.837 0.863 1
1 487 . 1 1 1 A 46 46 THR H H 46 8.340 7.857 0.483 1
1 488 . 1 1 1 A 46 46 THR HA H 46 3.850 3.874 -0.024 1
1 493 . 1 1 1 A 46 46 THR CA C 46 66.800 66.677 0.123 1
1 494 . 1 1 1 A 46 46 THR CB C 46 68.800 68.096 0.704 1
1 496 . 1 1 1 A 46 46 THR N N 46 114.900 116.109 -1.209 1
1 497 . 1 1 1 A 47 47 VAL H H 47 7.210 7.745 -0.535 1
1 498 . 1 1 1 A 47 47 VAL HA H 47 3.820 3.945 -0.125 1
1 506 . 1 1 1 A 47 47 VAL CA C 47 65.600 66.762 -1.162 1
1 507 . 1 1 1 A 47 47 VAL CB C 47 31.900 31.664 0.236 1
1 510 . 1 1 1 A 47 47 VAL N N 47 119.600 121.470 -1.870 1
1 511 . 1 1 1 A 48 48 PHE H H 48 8.140 8.744 -0.604 1
1 512 . 1 1 1 A 48 48 PHE HA H 48 4.210 4.144 0.066 1
1 520 . 1 1 1 A 48 48 PHE CA C 48 61.100 61.061 0.039 1
1 521 . 1 1 1 A 48 48 PHE CB C 48 39.200 39.270 -0.070 1
1 525 . 1 1 1 A 48 48 PHE N N 48 120.600 120.182 0.418 1
1 526 . 1 1 1 A 49 49 ARG H H 49 8.150 7.934 0.216 1
1 527 . 1 1 1 A 49 49 ARG HA H 49 3.710 4.028 -0.318 1
1 534 . 1 1 1 A 49 49 ARG CA C 49 58.500 58.421 0.079 1
1 535 . 1 1 1 A 49 49 ARG CB C 49 30.000 29.918 0.082 1
1 538 . 1 1 1 A 49 49 ARG N N 49 117.500 117.741 -0.241 1
1 539 . 1 1 1 A 50 50 PHE H H 50 7.270 7.536 -0.266 1
1 540 . 1 1 1 A 50 50 PHE HA H 50 4.620 4.280 0.340 1
1 548 . 1 1 1 A 50 50 PHE CA C 50 57.700 59.700 -2.000 1
1 549 . 1 1 1 A 50 50 PHE CB C 50 39.600 39.992 -0.392 1
1 553 . 1 1 1 A 50 50 PHE N N 50 115.500 116.169 -0.669 1
1 554 . 1 1 1 A 51 51 ALA H H 51 7.620 7.418 0.202 1
1 555 . 1 1 1 A 51 51 ALA HA H 51 4.320 4.493 -0.173 1
1 559 . 1 1 1 A 51 51 ALA CA C 51 51.700 50.495 1.205 1
1 560 . 1 1 1 A 51 51 ALA CB C 51 19.300 20.345 -1.045 1
1 561 . 1 1 1 A 51 51 ALA N N 51 124.200 120.879 3.321 1
1 562 . 1 1 1 A 52 52 ARG H H 52 8.570 8.455 0.115 1
1 563 . 1 1 1 A 52 52 ARG HA H 52 4.270 4.438 -0.168 1
1 570 . 1 1 1 A 52 52 ARG CA C 52 54.700 54.485 0.215 1
1 571 . 1 1 1 A 52 52 ARG CB C 52 29.300 29.426 -0.126 1
1 574 . 1 1 1 A 52 52 ARG N N 52 123.500 121.661 1.839 1
1 575 . 1 1 1 A 53 53 PRO HA H 53 4.240 4.297 -0.057 1
1 582 . 1 1 1 A 53 53 PRO CA C 53 63.600 63.188 0.412 1
1 583 . 1 1 1 A 53 53 PRO CB C 53 31.600 31.880 -0.280 1
1 586 . 1 1 1 A 54 54 SER H H 54 8.100 8.705 -0.605 1
1 587 . 1 1 1 A 54 54 SER HA H 54 4.390 4.659 -0.269 1
1 590 . 1 1 1 A 54 54 SER CA C 54 57.200 57.372 -0.172 1
1 591 . 1 1 1 A 54 54 SER CB C 54 63.100 64.740 -1.640 1
1 592 . 1 1 1 A 54 54 SER N N 54 117.200 117.710 -0.510 1
1 593 . 1 1 1 A 55 55 TYR H H 55 6.640 7.142 -0.502 1
1 594 . 1 1 1 A 55 55 TYR HA H 55 5.030 5.272 -0.242 1
1 601 . 1 1 1 A 55 55 TYR CA C 55 53.900 56.447 -2.547 1
1 602 . 1 1 1 A 55 55 TYR CB C 55 39.200 40.799 -1.599 1
1 605 . 1 1 1 A 55 55 TYR N N 55 119.200 119.203 -0.003 1
1 606 . 1 1 1 A 56 56 GLU H H 56 8.890 9.322 -0.432 1
1 607 . 1 1 1 A 56 56 GLU HA H 56 4.740 5.185 -0.445 1
1 612 . 1 1 1 A 56 56 GLU CA C 56 55.700 55.257 0.443 1
1 613 . 1 1 1 A 56 56 GLU CB C 56 35.000 34.085 0.915 1
1 615 . 1 1 1 A 56 56 GLU N N 56 118.800 121.874 -3.074 1
1 616 . 1 1 1 A 57 57 VAL H H 57 8.830 8.960 -0.130 1
1 617 . 1 1 1 A 57 57 VAL HA H 57 5.370 5.096 0.274 1
1 625 . 1 1 1 A 57 57 VAL CA C 57 59.900 60.519 -0.619 1
1 626 . 1 1 1 A 57 57 VAL CB C 57 33.300 34.071 -0.771 1
1 629 . 1 1 1 A 57 57 VAL N N 57 117.800 120.807 -3.007 1
1 630 . 1 1 1 A 58 58 PHE H H 58 8.870 8.207 0.663 1
1 631 . 1 1 1 A 58 58 PHE HA H 58 6.090 6.017 0.073 1
1 634 . 1 1 1 A 58 58 PHE CA C 58 55.600 55.781 -0.181 1
1 635 . 1 1 1 A 58 58 PHE CB C 58 42.700 42.475 0.225 1
1 636 . 1 1 1 A 58 58 PHE N N 58 120.600 120.088 0.512 1
1 637 . 1 1 1 A 59 59 VAL H H 59 8.270 8.612 -0.342 1
1 638 . 1 1 1 A 59 59 VAL HA H 59 4.730 4.708 0.022 1
1 646 . 1 1 1 A 59 59 VAL CA C 59 58.500 60.508 -2.008 1
1 647 . 1 1 1 A 59 59 VAL CB C 59 34.800 36.137 -1.337 1
1 650 . 1 1 1 A 59 59 VAL N N 59 108.700 120.265 -11.565 1
1 651 . 1 1 1 A 60 60 ASP H H 60 9.360 8.944 0.416 1
1 652 . 1 1 1 A 60 60 ASP HA H 60 5.080 4.825 0.255 1
1 655 . 1 1 1 A 60 60 ASP CA C 60 52.700 53.444 -0.744 1
1 656 . 1 1 1 A 60 60 ASP CB C 60 41.100 41.119 -0.019 1
1 657 . 1 1 1 A 60 60 ASP N N 60 123.000 126.232 -3.232 1
1 658 . 1 1 1 A 61 61 LEU H H 61 9.230 8.824 0.406 1
1 659 . 1 1 1 A 61 61 LEU HA H 61 4.670 4.726 -0.056 1
1 669 . 1 1 1 A 61 61 LEU CA C 61 53.300 54.249 -0.949 1
1 670 . 1 1 1 A 61 61 LEU CB C 61 40.900 42.563 -1.663 1
1 674 . 1 1 1 A 61 61 LEU N N 61 128.600 127.800 0.800 1
1 675 . 1 1 1 A 62 62 THR H H 62 8.720 8.215 0.505 1
1 676 . 1 1 1 A 62 62 THR HA H 62 3.590 4.280 -0.690 1
1 681 . 1 1 1 A 62 62 THR CA C 62 67.000 64.442 2.558 1
1 682 . 1 1 1 A 62 62 THR CB C 62 69.100 68.782 0.318 1
1 684 . 1 1 1 A 62 62 THR N N 62 115.800 114.046 1.754 1
1 685 . 1 1 1 A 63 63 GLU H H 63 8.490 7.746 0.744 1
1 686 . 1 1 1 A 63 63 GLU HA H 63 4.530 4.359 0.171 1
1 691 . 1 1 1 A 63 63 GLU CA C 63 55.100 56.691 -1.591 1
1 692 . 1 1 1 A 63 63 GLU CB C 63 29.200 30.328 -1.128 1
1 694 . 1 1 1 A 63 63 GLU N N 63 118.800 120.138 -1.338 1
1 695 . 1 1 1 A 64 64 ALA H H 64 7.100 7.220 -0.120 1
1 696 . 1 1 1 A 64 64 ALA HA H 64 4.130 4.017 0.113 1
1 700 . 1 1 1 A 64 64 ALA CA C 64 51.500 51.827 -0.327 1
1 701 . 1 1 1 A 64 64 ALA CB C 64 20.900 19.536 1.364 1
1 702 . 1 1 1 A 64 64 ALA N N 64 123.700 122.115 1.585 1
1 703 . 1 1 1 A 65 65 GLY H H 65 7.800 8.095 -0.295 1
1 704 . 1 1 1 A 65 65 GLY HA2 H 65 4.180 3.181 0.999 1
1 705 . 1 1 1 A 65 65 GLY HA3 H 65 3.540 3.936 -0.396 1
1 706 . 1 1 1 A 65 65 GLY CA C 65 42.600 43.987 -1.387 1
1 707 . 1 1 1 A 65 65 GLY N N 65 106.800 108.156 -1.356 1
1 708 . 1 1 1 A 66 66 GLU H H 66 8.490 8.326 0.164 1
1 709 . 1 1 1 A 66 66 GLU HA H 66 3.750 5.084 -1.334 1
1 714 . 1 1 1 A 66 66 GLU CA C 66 57.400 56.752 0.648 1
1 715 . 1 1 1 A 66 66 GLU CB C 66 30.300 30.364 -0.064 1
1 717 . 1 1 1 A 66 66 GLU N N 66 119.900 118.823 1.077 1
1 718 . 1 1 1 A 67 67 GLY H H 67 8.470 8.454 0.016 1
1 719 . 1 1 1 A 67 67 GLY HA2 H 67 3.770 3.990 -0.220 1
1 720 . 1 1 1 A 67 67 GLY HA3 H 67 4.390 4.046 0.344 1
1 721 . 1 1 1 A 67 67 GLY CA C 67 43.400 44.092 -0.692 1
1 722 . 1 1 1 A 67 67 GLY N N 67 110.800 109.168 1.632 1
1 723 . 1 1 1 A 68 68 SER H H 68 8.250 8.194 0.056 1
1 724 . 1 1 1 A 68 68 SER HA H 68 4.610 4.982 -0.372 1
1 727 . 1 1 1 A 68 68 SER CA C 68 57.700 57.382 0.318 1
1 728 . 1 1 1 A 68 68 SER CB C 68 63.300 63.878 -0.578 1
1 729 . 1 1 1 A 68 68 SER N N 68 114.500 114.851 -0.351 1
1 730 . 1 1 1 A 69 69 HIS H H 69 8.780 9.260 -0.480 1
1 731 . 1 1 1 A 69 69 HIS HA H 69 4.790 4.974 -0.184 1
1 734 . 1 1 1 A 69 69 HIS CA C 69 55.300 54.766 0.534 1
1 735 . 1 1 1 A 69 69 HIS CB C 69 33.900 33.438 0.462 1
1 736 . 1 1 1 A 69 69 HIS N N 69 125.400 123.386 2.014 1
1 737 . 1 1 1 A 70 70 THR H H 70 8.870 9.065 -0.195 1
1 738 . 1 1 1 A 70 70 THR HA H 70 5.380 5.592 -0.212 1
1 743 . 1 1 1 A 70 70 THR CA C 70 61.600 60.203 1.397 1
1 744 . 1 1 1 A 70 70 THR CB C 70 69.400 71.359 -1.959 1
1 746 . 1 1 1 A 70 70 THR N N 70 121.200 116.975 4.225 1
1 747 . 1 1 1 A 71 71 VAL H H 71 8.860 8.710 0.150 1
1 748 . 1 1 1 A 71 71 VAL HA H 71 4.730 4.961 -0.231 1
1 756 . 1 1 1 A 71 71 VAL CA C 71 58.900 58.820 0.080 1
1 757 . 1 1 1 A 71 71 VAL CB C 71 36.000 35.882 0.118 1
1 760 . 1 1 1 A 71 71 VAL N N 71 122.100 120.900 1.200 1
1 761 . 1 1 1 A 72 72 ASP H H 72 8.610 8.613 -0.003 1
1 762 . 1 1 1 A 72 72 ASP HA H 72 4.660 5.192 -0.532 1
1 765 . 1 1 1 A 72 72 ASP CA C 72 55.500 53.320 2.180 1
1 766 . 1 1 1 A 72 72 ASP CB C 72 40.800 41.438 -0.638 1
1 767 . 1 1 1 A 72 72 ASP N N 72 124.300 121.589 2.711 1
1 768 . 1 1 1 A 73 73 VAL H H 73 8.090 8.750 -0.660 1
1 769 . 1 1 1 A 73 73 VAL HA H 73 3.770 3.998 -0.228 1
1 777 . 1 1 1 A 73 73 VAL CA C 73 63.600 62.608 0.992 1
1 778 . 1 1 1 A 73 73 VAL CB C 73 31.600 31.685 -0.085 1
1 781 . 1 1 1 A 73 73 VAL N N 73 121.400 123.679 -2.279 1
1 782 . 1 1 1 A 74 74 GLU H H 74 8.900 8.028 0.872 1
1 783 . 1 1 1 A 74 74 GLU HA H 74 4.370 4.249 0.121 1
1 788 . 1 1 1 A 74 74 GLU CA C 74 54.700 55.641 -0.941 1
1 789 . 1 1 1 A 74 74 GLU CB C 74 33.300 31.012 2.288 1
1 791 . 1 1 1 A 74 74 GLU N N 74 129.600 126.991 2.609 1
1 792 . 1 1 1 A 75 75 HIS H H 75 7.940 8.508 -0.568 1
1 793 . 1 1 1 A 75 75 HIS HA H 75 5.830 5.322 0.508 1
1 796 . 1 1 1 A 75 75 HIS CA C 75 54.100 54.518 -0.418 1
1 797 . 1 1 1 A 75 75 HIS CB C 75 39.500 33.261 6.239 1
1 798 . 1 1 1 A 75 75 HIS N N 75 112.800 118.814 -6.014 1
1 799 . 1 1 1 A 76 76 ARG H H 76 9.210 8.437 0.773 1
1 800 . 1 1 1 A 76 76 ARG HA H 76 5.170 4.454 0.716 1
1 805 . 1 1 1 A 76 76 ARG CA C 76 55.300 55.941 -0.641 1
1 806 . 1 1 1 A 76 76 ARG CB C 76 33.400 33.391 0.009 1
1 808 . 1 1 1 A 76 76 ARG N N 76 117.100 122.961 -5.861 1
1 809 . 1 1 1 A 77 77 GLY H H 77 8.740 8.407 0.333 1
1 810 . 1 1 1 A 77 77 GLY HA2 H 77 4.410 4.119 0.291 1
1 811 . 1 1 1 A 77 77 GLY HA3 H 77 3.670 4.228 -0.558 1
1 812 . 1 1 1 A 77 77 GLY CA C 77 45.400 45.582 -0.182 1
1 813 . 1 1 1 A 77 77 GLY N N 77 107.400 113.925 -6.525 1
1 814 . 1 1 1 A 78 78 PHE H H 78 7.920 8.037 -0.117 1
1 815 . 1 1 1 A 78 78 PHE HA H 78 4.450 4.860 -0.410 1
1 823 . 1 1 1 A 78 78 PHE CA C 78 54.200 55.555 -1.355 1
1 824 . 1 1 1 A 78 78 PHE CB C 78 41.000 39.357 1.643 1
1 828 . 1 1 1 A 78 78 PHE N N 78 120.200 119.290 0.910 1
1 829 . 1 1 1 A 79 79 PRO HA H 79 4.470 4.580 -0.110 1
1 836 . 1 1 1 A 79 79 PRO CA C 79 63.300 62.810 0.490 1
1 837 . 1 1 1 A 79 79 PRO CB C 79 32.200 31.645 0.555 1
1 840 . 1 1 1 A 80 80 GLY H H 80 8.820 8.619 0.201 1
1 841 . 1 1 1 A 80 80 GLY HA2 H 80 4.020 3.831 0.189 1
1 842 . 1 1 1 A 80 80 GLY HA3 H 80 3.890 3.944 -0.054 1
1 843 . 1 1 1 A 80 80 GLY CA C 80 46.600 46.535 0.065 1
1 844 . 1 1 1 A 80 80 GLY N N 80 110.100 110.590 -0.490 1
1 845 . 1 1 1 A 81 81 ASP H H 81 8.360 8.101 0.259 1
1 846 . 1 1 1 A 81 81 ASP HA H 81 4.560 4.546 0.014 1
1 849 . 1 1 1 A 81 81 ASP CA C 81 53.800 56.297 -2.497 1
1 850 . 1 1 1 A 81 81 ASP CB C 81 40.300 41.004 -0.704 1
1 851 . 1 1 1 A 81 81 ASP N N 81 114.800 120.005 -5.205 1
1 852 . 1 1 1 A 82 82 LEU H H 82 7.400 7.421 -0.021 1
1 853 . 1 1 1 A 82 82 LEU HA H 82 4.720 4.405 0.315 1
1 863 . 1 1 1 A 82 82 LEU CA C 82 52.800 54.624 -1.824 1
1 864 . 1 1 1 A 82 82 LEU CB C 82 42.900 42.096 0.804 1
1 868 . 1 1 1 A 82 82 LEU N N 82 115.500 121.326 -5.826 1
1 869 . 1 1 1 A 83 83 ALA H H 83 8.930 8.751 0.179 1
1 870 . 1 1 1 A 83 83 ALA HA H 83 4.530 4.544 -0.014 1
1 874 . 1 1 1 A 83 83 ALA CA C 83 50.900 51.395 -0.495 1
1 875 . 1 1 1 A 83 83 ALA CB C 83 19.600 19.325 0.275 1
1 876 . 1 1 1 A 83 83 ALA N N 83 124.900 123.185 1.715 1
1 877 . 1 1 1 A 84 84 VAL H H 84 8.570 8.875 -0.305 1
1 878 . 1 1 1 A 84 84 VAL HA H 84 3.930 4.381 -0.451 1
1 886 . 1 1 1 A 84 84 VAL CA C 84 61.300 61.884 -0.584 1
1 887 . 1 1 1 A 84 84 VAL CB C 84 32.800 31.690 1.110 1
1 890 . 1 1 1 A 84 84 VAL N N 84 126.800 124.481 2.319 1
1 891 . 1 1 1 A 85 85 THR H H 85 9.000 9.338 -0.338 1
1 892 . 1 1 1 A 85 85 THR HA H 85 4.440 4.834 -0.394 1
1 897 . 1 1 1 A 85 85 THR CA C 85 61.900 61.680 0.220 1
1 898 . 1 1 1 A 85 85 THR CB C 85 70.100 70.535 -0.435 1
1 900 . 1 1 1 A 85 85 THR N N 85 125.500 123.440 2.060 1
1 901 . 1 1 1 A 86 86 VAL H H 86 8.280 9.038 -0.758 1
1 902 . 1 1 1 A 86 86 VAL HA H 86 5.010 5.036 -0.026 1
1 910 . 1 1 1 A 86 86 VAL CA C 86 59.300 60.139 -0.839 1
1 911 . 1 1 1 A 86 86 VAL CB C 86 33.700 35.755 -2.055 1
1 914 . 1 1 1 A 86 86 VAL N N 86 123.200 125.667 -2.467 1
1 915 . 1 1 1 A 87 87 GLU H H 87 8.560 8.988 -0.428 1
1 916 . 1 1 1 A 87 87 GLU HA H 87 4.720 4.820 -0.100 1
1 921 . 1 1 1 A 87 87 GLU CA C 87 52.400 53.410 -1.010 1
1 922 . 1 1 1 A 87 87 GLU CB C 87 33.600 30.310 3.290 1
1 924 . 1 1 1 A 87 87 GLU N N 87 124.400 125.755 -1.355 1
1 925 . 1 1 1 A 88 88 PRO HA H 88 4.770 4.445 0.325 1
1 932 . 1 1 1 A 88 88 PRO CA C 88 62.800 63.641 -0.841 1
1 933 . 1 1 1 A 88 88 PRO CB C 88 34.300 32.319 1.981 1
1 936 . 1 1 1 A 89 89 ARG H H 89 8.200 8.278 -0.078 1
1 937 . 1 1 1 A 89 89 ARG HA H 89 4.050 4.510 -0.460 1
1 945 . 1 1 1 A 89 89 ARG CA C 89 57.300 56.201 1.099 1
1 946 . 1 1 1 A 89 89 ARG CB C 89 30.700 31.281 -0.581 1
1 949 . 1 1 1 A 89 89 ARG N N 89 114.400 118.188 -3.788 1
1 951 . 1 1 1 A 90 90 MET H H 90 7.750 7.599 0.151 1
1 952 . 1 1 1 A 90 90 MET HA H 90 5.060 4.975 0.085 1
1 960 . 1 1 1 A 90 90 MET CA C 90 53.700 53.789 -0.089 1
1 961 . 1 1 1 A 90 90 MET CB C 90 34.700 33.732 0.968 1
1 964 . 1 1 1 A 90 90 MET N N 90 115.900 119.145 -3.245 1
1 965 . 1 1 1 A 91 91 ALA H H 91 9.020 9.427 -0.407 1
1 966 . 1 1 1 A 91 91 ALA HA H 91 4.640 5.197 -0.557 1
1 970 . 1 1 1 A 91 91 ALA CA C 91 49.300 50.077 -0.777 1
1 971 . 1 1 1 A 91 91 ALA CB C 91 23.600 23.008 0.592 1
1 972 . 1 1 1 A 91 91 ALA N N 91 123.200 126.094 -2.894 1
1 973 . 1 1 1 A 92 92 ARG H H 92 8.370 8.827 -0.457 1
1 974 . 1 1 1 A 92 92 ARG HA H 92 5.480 5.111 0.369 1
1 982 . 1 1 1 A 92 92 ARG CA C 92 54.000 55.052 -1.052 1
1 983 . 1 1 1 A 92 92 ARG CB C 92 32.600 31.961 0.639 1
1 986 . 1 1 1 A 92 92 ARG N N 92 119.600 119.327 0.273 1
1 988 . 1 1 1 A 93 93 VAL H H 93 8.920 9.308 -0.388 1
1 989 . 1 1 1 A 93 93 VAL HA H 93 4.510 4.965 -0.455 1
1 997 . 1 1 1 A 93 93 VAL CA C 93 61.000 61.001 -0.001 1
1 998 . 1 1 1 A 93 93 VAL CB C 93 36.900 34.981 1.919 1
1 1001 . 1 1 1 A 93 93 VAL N N 93 124.100 123.924 0.176 1
1 1002 . 1 1 1 A 94 94 GLN H H 94 8.930 9.260 -0.330 1
1 1003 . 1 1 1 A 94 94 GLN HA H 94 5.400 5.179 0.221 1
1 1010 . 1 1 1 A 94 94 GLN CA C 94 53.500 54.279 -0.779 1
1 1011 . 1 1 1 A 94 94 GLN CB C 94 30.300 31.744 -1.444 1
1 1013 . 1 1 1 A 94 94 GLN N N 94 127.900 128.340 -0.440 1
1 1015 . 1 1 1 A 95 95 LEU H H 95 8.870 8.748 0.122 1
1 1016 . 1 1 1 A 95 95 LEU HA H 95 5.390 5.217 0.173 1
1 1026 . 1 1 1 A 95 95 LEU CA C 95 53.000 53.404 -0.404 1
1 1027 . 1 1 1 A 95 95 LEU CB C 95 44.800 43.496 1.304 1
1 1031 . 1 1 1 A 95 95 LEU N N 95 126.400 128.431 -2.031 1
1 1032 . 1 1 1 A 96 96 GLU H H 96 9.300 8.600 0.700 1
1 1033 . 1 1 1 A 96 96 GLU HA H 96 5.000 4.846 0.154 1
1 1038 . 1 1 1 A 96 96 GLU CA C 96 54.300 55.049 -0.749 1
1 1039 . 1 1 1 A 96 96 GLU CB C 96 33.800 33.965 -0.165 1
1 1041 . 1 1 1 A 96 96 GLU N N 96 122.700 123.506 -0.806 1
1 1042 . 1 1 1 A 97 97 GLU H H 97 9.730 8.694 1.036 1
1 1043 . 1 1 1 A 97 97 GLU HA H 97 4.360 4.181 0.179 1
1 1048 . 1 1 1 A 97 97 GLU CA C 97 57.600 57.827 -0.227 1
1 1049 . 1 1 1 A 97 97 GLU CB C 97 30.000 30.359 -0.359 1
1 1051 . 1 1 1 A 97 97 GLU N N 97 126.200 125.787 0.413 1
1 1052 . 1 1 1 A 98 98 ARG H H 98 8.300 8.412 -0.112 1
1 1053 . 1 1 1 A 98 98 ARG HA H 98 4.180 4.277 -0.097 1
1 1061 . 1 1 1 A 98 98 ARG CA C 98 56.800 56.435 0.365 1
1 1062 . 1 1 1 A 98 98 ARG CB C 98 30.700 30.661 0.039 1
1 1065 . 1 1 1 A 98 98 ARG N N 98 126.500 123.697 2.803 1
1 1067 . 1 1 1 A 99 99 GLN H H 99 8.810 8.713 0.097 1
1 1068 . 1 1 1 A 99 99 GLN HA H 99 4.370 4.500 -0.130 1
1 1075 . 1 1 1 A 99 99 GLN CA C 99 55.600 57.428 -1.828 1
1 1076 . 1 1 1 A 99 99 GLN CB C 99 29.500 30.842 -1.342 1
1 1078 . 1 1 1 A 99 99 GLN N N 99 123.700 121.914 1.786 1
1 1080 . 1 1 1 A 100 100 THR H H 100 8.340 7.936 0.404 1
1 1081 . 1 1 1 A 100 100 THR HA H 100 4.330 4.753 -0.423 1
1 1086 . 1 1 1 A 100 100 THR CA C 100 61.700 60.857 0.843 1
1 1087 . 1 1 1 A 100 100 THR CB C 100 69.800 70.037 -0.237 1
1 1089 . 1 1 1 A 100 100 THR N N 100 116.700 108.984 7.716 1
1 1090 . 1 1 1 A 101 101 VAL H H 101 8.290 8.909 -0.619 1
1 1091 . 1 1 1 A 101 101 VAL HA H 101 4.170 4.585 -0.415 1
1 1099 . 1 1 1 A 101 101 VAL CA C 101 61.900 61.772 0.128 1
1 1100 . 1 1 1 A 101 101 VAL CB C 101 32.800 32.941 -0.141 1
1 1103 . 1 1 1 A 101 101 VAL N N 101 122.900 128.649 -5.749 1
1 1104 . 1 1 1 A 102 102 SER H H 102 8.490 9.010 -0.520 1
1 1105 . 1 1 1 A 102 102 SER HA H 102 4.470 5.537 -1.067 1
1 1108 . 1 1 1 A 102 102 SER CA C 102 58.000 55.860 2.140 1
1 1109 . 1 1 1 A 102 102 SER CB C 102 63.600 66.031 -2.431 1
1 1110 . 1 1 1 A 102 102 SER N N 102 120.700 121.365 -0.665 1
1 1111 . 1 1 1 A 103 103 VAL H H 103 8.240 8.748 -0.508 1
1 1112 . 1 1 1 A 103 103 VAL HA H 103 4.420 4.651 -0.231 1
1 1120 . 1 1 1 A 103 103 VAL CA C 103 59.700 59.931 -0.231 1
1 1121 . 1 1 1 A 103 103 VAL CB C 103 32.700 32.655 0.045 1
1 1124 . 1 1 1 A 103 103 VAL N N 103 123.900 116.863 7.037 1
1 1125 . 1 1 1 A 104 104 PRO HA H 104 4.420 4.722 -0.302 1
1 1132 . 1 1 1 A 104 104 PRO CA C 104 63.000 62.552 0.448 1
1 1133 . 1 1 1 A 104 104 PRO CB C 104 32.000 29.434 2.566 1
1 1136 . 1 1 1 A 105 105 VAL H H 105 8.340 8.214 0.126 1
1 1137 . 1 1 1 A 105 105 VAL HA H 105 4.130 4.460 -0.330 1
1 1145 . 1 1 1 A 105 105 VAL CA C 105 62.200 61.673 0.527 1
1 1146 . 1 1 1 A 105 105 VAL CB C 105 32.600 32.609 -0.009 1
1 1149 . 1 1 1 A 105 105 VAL N N 105 121.000 122.046 -1.046 1
1 1150 . 1 1 1 A 106 106 THR H H 106 8.210 8.417 -0.207 1
1 1151 . 1 1 1 A 106 106 THR HA H 106 4.380 5.075 -0.695 1
1 1156 . 1 1 1 A 106 106 THR CA C 106 61.400 60.623 0.777 1
1 1157 . 1 1 1 A 106 106 THR CB C 106 70.000 70.244 -0.244 1
1 1159 . 1 1 1 A 106 106 THR N N 106 118.700 118.862 -0.162 1
1 1160 . 1 1 1 A 107 107 VAL H H 107 8.280 8.806 -0.526 1
1 1161 . 1 1 1 A 107 107 VAL HA H 107 4.050 3.873 0.177 1
1 1169 . 1 1 1 A 107 107 VAL CA C 107 62.600 66.013 -3.413 1
1 1170 . 1 1 1 A 107 107 VAL CB C 107 32.600 32.166 0.434 1
1 1173 . 1 1 1 A 107 107 VAL N N 107 122.700 125.415 -2.715 1
1 1174 . 1 1 1 A 108 108 GLU H H 108 8.500 8.122 0.378 1
1 1175 . 1 1 1 A 108 108 GLU HA H 108 4.230 4.414 -0.184 1
1 1180 . 1 1 1 A 108 108 GLU CA C 108 56.600 56.937 -0.337 1
1 1181 . 1 1 1 A 108 108 GLU CB C 108 30.000 28.865 1.135 1
1 1183 . 1 1 1 A 108 108 GLU N N 108 124.100 121.027 3.073 1
1 1184 . 1 1 1 A 109 109 MET H H 109 8.570 8.536 0.034 1
1 1185 . 1 1 1 A 109 109 MET HA H 109 4.460 5.184 -0.724 1
1 1188 . 1 1 1 A 109 109 MET CA C 109 55.300 54.439 0.861 1
1 1189 . 1 1 1 A 109 109 MET CB C 109 26.800 36.010 -9.210 1
1 1190 . 1 1 1 A 109 109 MET N N 109 121.300 124.029 -2.729 1
1 1191 . 1 1 1 A 110 110 ILE H H 110 8.280 8.751 -0.471 1
1 1192 . 1 1 1 A 110 110 ILE HA H 110 4.080 4.948 -0.868 1
1 1202 . 1 1 1 A 110 110 ILE CA C 110 61.400 59.285 2.115 1
1 1203 . 1 1 1 A 110 110 ILE CB C 110 38.700 39.823 -1.123 1
1 1207 . 1 1 1 A 110 110 ILE N N 110 122.600 120.437 2.163 1
1 1208 . 1 1 1 A 111 111 ASN H H 111 8.590 8.671 -0.081 1
1 1209 . 1 1 1 A 111 111 ASN HA H 111 4.690 5.361 -0.671 1
1 1214 . 1 1 1 A 111 111 ASN CA C 111 53.000 51.732 1.268 1
1 1215 . 1 1 1 A 111 111 ASN CB C 111 38.600 42.118 -3.518 1
1 1216 . 1 1 1 A 111 111 ASN N N 111 122.800 119.855 2.945 1
1 1218 . 1 1 1 A 112 112 LEU H H 112 8.340 8.758 -0.418 1
1 1219 . 1 1 1 A 112 112 LEU HA H 112 4.240 4.823 -0.583 1
1 1229 . 1 1 1 A 112 112 LEU CA C 112 55.400 53.952 1.448 1
1 1230 . 1 1 1 A 112 112 LEU CB C 112 42.100 43.186 -1.086 1
1 1 . 2 1 1 A 3 3 THR HA H 3 4.250 4.610 -0.360 1
1 6 . 2 1 1 A 3 3 THR CA C 3 62.000 60.445 1.555 1
1 7 . 2 1 1 A 3 3 THR CB C 3 69.700 69.594 0.106 1
1 9 . 2 1 1 A 4 4 PHE H H 4 8.440 8.905 -0.465 1
1 10 . 2 1 1 A 4 4 PHE HA H 4 4.650 5.049 -0.399 1
1 17 . 2 1 1 A 4 4 PHE CA C 4 57.700 57.026 0.674 1
1 18 . 2 1 1 A 4 4 PHE CB C 4 39.400 42.334 -2.934 1
1 21 . 2 1 1 A 4 4 PHE N N 4 122.400 124.526 -2.126 1
1 22 . 2 1 1 A 5 5 ASP H H 5 8.500 8.746 -0.246 1
1 23 . 2 1 1 A 5 5 ASP HA H 5 4.600 4.818 -0.218 1
1 26 . 2 1 1 A 5 5 ASP CA C 5 53.900 52.901 0.999 1
1 27 . 2 1 1 A 5 5 ASP CB C 5 40.700 39.144 1.556 1
1 28 . 2 1 1 A 5 5 ASP N N 5 121.800 122.201 -0.401 1
1 29 . 2 1 1 A 6 6 HIS H H 6 8.240 7.811 0.429 1
1 30 . 2 1 1 A 6 6 HIS HA H 6 4.780 4.884 -0.104 1
1 34 . 2 1 1 A 6 6 HIS CA C 6 55.300 54.700 0.600 1
1 35 . 2 1 1 A 6 6 HIS CB C 6 31.500 31.374 0.126 1
1 37 . 2 1 1 A 6 6 HIS N N 6 120.400 121.782 -1.382 1
1 38 . 2 1 1 A 7 7 GLY H H 7 8.660 8.644 0.016 1
1 39 . 2 1 1 A 7 7 GLY HA2 H 7 4.500 4.160 0.340 1
1 40 . 2 1 1 A 7 7 GLY HA3 H 7 3.580 4.194 -0.614 1
1 41 . 2 1 1 A 7 7 GLY CA C 7 44.200 43.855 0.345 1
1 42 . 2 1 1 A 7 7 GLY N N 7 109.200 109.409 -0.209 1
1 43 . 2 1 1 A 8 8 ASN H H 8 8.040 8.563 -0.523 1
1 44 . 2 1 1 A 8 8 ASN HA H 8 5.500 5.870 -0.370 1
1 49 . 2 1 1 A 8 8 ASN CA C 8 52.600 51.977 0.623 1
1 50 . 2 1 1 A 8 8 ASN CB C 8 42.700 41.696 1.004 1
1 51 . 2 1 1 A 8 8 ASN N N 8 115.100 118.885 -3.785 1
1 53 . 2 1 1 A 9 9 LEU H H 9 8.850 8.761 0.089 1
1 54 . 2 1 1 A 9 9 LEU HA H 9 4.530 4.738 -0.208 1
1 64 . 2 1 1 A 9 9 LEU CA C 9 54.700 54.373 0.327 1
1 65 . 2 1 1 A 9 9 LEU CB C 9 47.000 45.712 1.288 1
1 69 . 2 1 1 A 9 9 LEU N N 9 123.500 123.661 -0.161 1
1 70 . 2 1 1 A 10 10 SER H H 10 8.850 8.934 -0.084 1
1 71 . 2 1 1 A 10 10 SER HA H 10 5.030 4.812 0.218 1
1 74 . 2 1 1 A 10 10 SER CA C 10 57.000 58.031 -1.031 1
1 75 . 2 1 1 A 10 10 SER CB C 10 63.900 63.713 0.187 1
1 76 . 2 1 1 A 10 10 SER N N 10 121.800 124.156 -2.356 1
1 77 . 2 1 1 A 11 11 LEU H H 11 8.820 8.726 0.094 1
1 78 . 2 1 1 A 11 11 LEU HA H 11 4.460 4.315 0.145 1
1 88 . 2 1 1 A 11 11 LEU CA C 11 54.400 55.480 -1.080 1
1 89 . 2 1 1 A 11 11 LEU CB C 11 41.900 42.616 -0.716 1
1 93 . 2 1 1 A 11 11 LEU N N 11 127.300 127.140 0.160 1
1 94 . 2 1 1 A 12 12 GLY H H 12 8.140 7.921 0.219 1
1 95 . 2 1 1 A 12 12 GLY HA2 H 12 3.720 4.062 -0.342 1
1 96 . 2 1 1 A 12 12 GLY HA3 H 12 4.080 4.084 -0.004 1
1 97 . 2 1 1 A 12 12 GLY CA C 12 44.700 44.305 0.395 1
1 98 . 2 1 1 A 12 12 GLY N N 12 108.000 105.975 2.025 1
1 99 . 2 1 1 A 13 13 GLU H H 13 8.210 8.413 -0.203 1
1 100 . 2 1 1 A 13 13 GLU HA H 13 4.560 5.513 -0.953 1
1 105 . 2 1 1 A 13 13 GLU CA C 13 55.700 55.906 -0.206 1
1 106 . 2 1 1 A 13 13 GLU CB C 13 30.300 30.676 -0.376 1
1 108 . 2 1 1 A 13 13 GLU N N 13 119.000 121.180 -2.180 1
1 109 . 2 1 1 A 14 14 LEU H H 14 9.360 9.103 0.257 1
1 110 . 2 1 1 A 14 14 LEU HA H 14 4.720 4.870 -0.150 1
1 120 . 2 1 1 A 14 14 LEU CA C 14 53.400 53.885 -0.485 1
1 121 . 2 1 1 A 14 14 LEU CB C 14 44.200 43.561 0.639 1
1 125 . 2 1 1 A 14 14 LEU N N 14 126.700 127.203 -0.503 1
1 126 . 2 1 1 A 15 15 GLU H H 15 8.680 8.543 0.137 1
1 127 . 2 1 1 A 15 15 GLU HA H 15 4.240 4.493 -0.253 1
1 132 . 2 1 1 A 15 15 GLU CA C 15 56.900 56.443 0.457 1
1 133 . 2 1 1 A 15 15 GLU CB C 15 29.900 30.262 -0.362 1
1 135 . 2 1 1 A 15 15 GLU N N 15 120.600 122.256 -1.656 1
1 136 . 2 1 1 A 16 16 LEU H H 16 7.740 8.741 -1.001 1
1 137 . 2 1 1 A 16 16 LEU HA H 16 4.360 4.835 -0.475 1
1 147 . 2 1 1 A 16 16 LEU CA C 16 54.000 54.459 -0.459 1
1 148 . 2 1 1 A 16 16 LEU CB C 16 43.300 42.856 0.444 1
1 152 . 2 1 1 A 16 16 LEU N N 16 125.200 127.302 -2.102 1
1 153 . 2 1 1 A 17 17 THR H H 17 8.500 9.188 -0.688 1
1 154 . 2 1 1 A 17 17 THR HA H 17 4.420 4.738 -0.318 1
1 159 . 2 1 1 A 17 17 THR CA C 17 63.100 62.407 0.693 1
1 160 . 2 1 1 A 17 17 THR CB C 17 69.600 69.525 0.075 1
1 162 . 2 1 1 A 17 17 THR N N 17 127.300 124.397 2.903 1
1 163 . 2 1 1 A 18 18 VAL H H 18 8.840 9.253 -0.413 1
1 164 . 2 1 1 A 18 18 VAL HA H 18 4.490 4.793 -0.303 1
1 172 . 2 1 1 A 18 18 VAL CA C 18 61.100 61.316 -0.216 1
1 173 . 2 1 1 A 18 18 VAL CB C 18 33.300 33.032 0.268 1
1 176 . 2 1 1 A 18 18 VAL N N 18 127.000 128.000 -1.000 1
1 177 . 2 1 1 A 19 19 LEU H H 19 8.830 9.532 -0.702 1
1 178 . 2 1 1 A 19 19 LEU HA H 19 4.920 5.280 -0.360 1
1 188 . 2 1 1 A 19 19 LEU CA C 19 53.400 53.555 -0.155 1
1 189 . 2 1 1 A 19 19 LEU CB C 19 41.200 42.453 -1.253 1
1 193 . 2 1 1 A 19 19 LEU N N 19 128.500 128.976 -0.476 1
1 194 . 2 1 1 A 20 20 TYR H H 20 8.470 8.972 -0.502 1
1 195 . 2 1 1 A 20 20 TYR HA H 20 4.280 5.233 -0.953 1
1 202 . 2 1 1 A 20 20 TYR CA C 20 55.600 55.648 -0.048 1
1 203 . 2 1 1 A 20 20 TYR CB C 20 38.200 40.573 -2.373 1
1 206 . 2 1 1 A 20 20 TYR N N 20 120.300 121.663 -1.363 1
1 207 . 2 1 1 A 21 21 ASP H H 21 8.920 8.791 0.129 1
1 208 . 2 1 1 A 21 21 ASP HA H 21 4.640 4.512 0.128 1
1 211 . 2 1 1 A 21 21 ASP CA C 21 53.000 53.132 -0.132 1
1 212 . 2 1 1 A 21 21 ASP CB C 21 39.300 40.752 -1.452 1
1 213 . 2 1 1 A 21 21 ASP N N 21 118.600 121.190 -2.590 1
1 214 . 2 1 1 A 22 22 GLU H H 22 7.930 8.373 -0.443 1
1 215 . 2 1 1 A 22 22 GLU HA H 22 4.250 4.299 -0.049 1
1 220 . 2 1 1 A 22 22 GLU CA C 22 57.000 56.358 0.642 1
1 221 . 2 1 1 A 22 22 GLU CB C 22 29.000 29.101 -0.101 1
1 223 . 2 1 1 A 22 22 GLU N N 22 126.600 123.535 3.065 1
1 224 . 2 1 1 A 23 23 GLU H H 23 8.060 7.983 0.077 1
1 225 . 2 1 1 A 23 23 GLU HA H 23 4.130 4.018 0.112 1
1 230 . 2 1 1 A 23 23 GLU CA C 23 57.800 58.989 -1.189 1
1 231 . 2 1 1 A 23 23 GLU CB C 23 29.500 29.412 0.088 1
1 233 . 2 1 1 A 23 23 GLU N N 23 117.800 119.741 -1.941 1
1 234 . 2 1 1 A 24 24 ARG H H 24 7.070 7.753 -0.683 1
1 235 . 2 1 1 A 24 24 ARG HA H 24 4.170 4.298 -0.128 1
1 243 . 2 1 1 A 24 24 ARG CA C 24 56.500 57.230 -0.730 1
1 244 . 2 1 1 A 24 24 ARG CB C 24 33.500 31.922 1.578 1
1 247 . 2 1 1 A 24 24 ARG N N 24 116.700 116.997 -0.297 1
1 249 . 2 1 1 A 25 25 TYR H H 25 8.150 7.746 0.404 1
1 250 . 2 1 1 A 25 25 TYR HA H 25 5.470 4.845 0.625 1
1 257 . 2 1 1 A 25 25 TYR CA C 25 56.900 58.406 -1.506 1
1 258 . 2 1 1 A 25 25 TYR CB C 25 43.100 40.083 3.017 1
1 261 . 2 1 1 A 25 25 TYR N N 25 116.800 117.367 -0.567 1
1 262 . 2 1 1 A 26 26 ASP H H 26 9.120 9.063 0.057 1
1 263 . 2 1 1 A 26 26 ASP HA H 26 5.250 5.428 -0.178 1
1 266 . 2 1 1 A 26 26 ASP CA C 26 52.400 52.885 -0.485 1
1 267 . 2 1 1 A 26 26 ASP CB C 26 44.500 44.808 -0.308 1
1 268 . 2 1 1 A 26 26 ASP N N 26 116.900 120.208 -3.308 1
1 269 . 2 1 1 A 27 27 ILE H H 27 8.640 8.892 -0.252 1
1 270 . 2 1 1 A 27 27 ILE HA H 27 4.100 3.979 0.121 1
1 280 . 2 1 1 A 27 27 ILE CA C 27 61.400 61.203 0.197 1
1 281 . 2 1 1 A 27 27 ILE CB C 27 38.600 36.683 1.917 1
1 285 . 2 1 1 A 27 27 ILE N N 27 121.200 125.254 -4.054 1
1 286 . 2 1 1 A 28 28 VAL H H 28 8.840 8.919 -0.079 1
1 287 . 2 1 1 A 28 28 VAL HA H 28 3.930 4.008 -0.078 1
1 295 . 2 1 1 A 28 28 VAL CA C 28 63.800 64.034 -0.234 1
1 296 . 2 1 1 A 28 28 VAL CB C 28 32.900 32.624 0.276 1
1 299 . 2 1 1 A 28 28 VAL N N 28 128.700 129.216 -0.516 1
1 300 . 2 1 1 A 29 29 GLU H H 29 7.180 7.267 -0.087 1
1 301 . 2 1 1 A 29 29 GLU HA H 29 4.490 4.758 -0.268 1
1 306 . 2 1 1 A 29 29 GLU CA C 29 55.200 54.926 0.274 1
1 307 . 2 1 1 A 29 29 GLU CB C 29 32.900 34.253 -1.353 1
1 309 . 2 1 1 A 29 29 GLU N N 29 116.000 119.060 -3.060 1
1 310 . 2 1 1 A 30 30 GLN H H 30 8.760 8.754 0.006 1
1 311 . 2 1 1 A 30 30 GLN HA H 30 5.450 5.038 0.412 1
1 314 . 2 1 1 A 30 30 GLN CA C 30 54.200 54.556 -0.356 1
1 315 . 2 1 1 A 30 30 GLN CB C 30 33.100 31.380 1.720 1
1 316 . 2 1 1 A 30 30 GLN N N 30 117.200 118.606 -1.406 1
1 317 . 2 1 1 A 31 31 THR H H 31 8.200 8.722 -0.522 1
1 318 . 2 1 1 A 31 31 THR HA H 31 4.160 4.195 -0.035 1
1 323 . 2 1 1 A 31 31 THR CA C 31 64.500 64.388 0.112 1
1 324 . 2 1 1 A 31 31 THR CB C 31 70.300 69.025 1.275 1
1 326 . 2 1 1 A 31 31 THR N N 31 119.400 116.678 2.722 1
1 327 . 2 1 1 A 32 32 GLU H H 32 9.230 8.798 0.432 1
1 328 . 2 1 1 A 32 32 GLU HA H 32 4.170 4.427 -0.257 1
1 333 . 2 1 1 A 32 32 GLU CA C 32 60.000 58.528 1.472 1
1 334 . 2 1 1 A 32 32 GLU CB C 32 31.000 30.572 0.428 1
1 336 . 2 1 1 A 32 32 GLU N N 32 129.600 126.288 3.312 1
1 337 . 2 1 1 A 33 33 THR H H 33 7.510 7.953 -0.443 1
1 338 . 2 1 1 A 33 33 THR HA H 33 5.320 5.404 -0.084 1
1 343 . 2 1 1 A 33 33 THR CA C 33 58.500 59.925 -1.425 1
1 344 . 2 1 1 A 33 33 THR CB C 33 73.100 71.967 1.133 1
1 346 . 2 1 1 A 33 33 THR N N 33 107.500 109.257 -1.757 1
1 347 . 2 1 1 A 34 34 VAL H H 34 8.700 8.635 0.065 1
1 348 . 2 1 1 A 34 34 VAL HA H 34 4.670 4.891 -0.221 1
1 356 . 2 1 1 A 34 34 VAL CA C 34 59.200 60.267 -1.067 1
1 357 . 2 1 1 A 34 34 VAL CB C 34 35.200 35.337 -0.137 1
1 360 . 2 1 1 A 34 34 VAL N N 34 112.000 121.106 -9.106 1
1 361 . 2 1 1 A 35 35 GLN H H 35 8.930 8.803 0.127 1
1 362 . 2 1 1 A 35 35 GLN HA H 35 4.790 4.729 0.061 1
1 369 . 2 1 1 A 35 35 GLN CA C 35 54.800 55.068 -0.268 1
1 370 . 2 1 1 A 35 35 GLN CB C 35 29.900 30.239 -0.339 1
1 372 . 2 1 1 A 35 35 GLN N N 35 123.200 125.887 -2.687 1
1 374 . 2 1 1 A 36 36 VAL H H 36 7.940 8.587 -0.647 1
1 375 . 2 1 1 A 36 36 VAL HA H 36 4.850 5.516 -0.666 1
1 383 . 2 1 1 A 36 36 VAL CA C 36 61.300 59.669 1.631 1
1 384 . 2 1 1 A 36 36 VAL CB C 36 34.200 34.398 -0.198 1
1 387 . 2 1 1 A 36 36 VAL N N 36 124.300 126.823 -2.523 1
1 388 . 2 1 1 A 37 37 ASP H H 37 8.670 9.103 -0.433 1
1 389 . 2 1 1 A 37 37 ASP HA H 37 5.240 5.397 -0.157 1
1 392 . 2 1 1 A 37 37 ASP CA C 37 53.000 52.693 0.307 1
1 393 . 2 1 1 A 37 37 ASP CB C 37 44.700 44.562 0.138 1
1 394 . 2 1 1 A 37 37 ASP N N 37 126.900 128.102 -1.202 1
1 395 . 2 1 1 A 38 38 LEU H H 38 8.850 9.179 -0.329 1
1 396 . 2 1 1 A 38 38 LEU HA H 38 5.160 5.349 -0.189 1
1 406 . 2 1 1 A 38 38 LEU CA C 38 52.400 53.132 -0.732 1
1 407 . 2 1 1 A 38 38 LEU CB C 38 46.100 44.547 1.553 1
1 411 . 2 1 1 A 38 38 LEU N N 38 119.100 126.034 -6.934 1
1 412 . 2 1 1 A 39 39 GLU H H 39 8.380 8.728 -0.348 1
1 413 . 2 1 1 A 39 39 GLU HA H 39 5.210 5.302 -0.092 1
1 418 . 2 1 1 A 39 39 GLU CA C 39 54.600 54.590 0.010 1
1 419 . 2 1 1 A 39 39 GLU CB C 39 33.900 32.992 0.908 1
1 421 . 2 1 1 A 39 39 GLU N N 39 120.800 121.045 -0.245 1
1 422 . 2 1 1 A 40 40 GLY H H 40 8.110 7.912 0.198 1
1 423 . 2 1 1 A 40 40 GLY HA2 H 40 4.230 4.053 0.177 1
1 424 . 2 1 1 A 40 40 GLY HA3 H 40 3.730 4.065 -0.335 1
1 425 . 2 1 1 A 40 40 GLY CA C 40 45.000 44.355 0.645 1
1 426 . 2 1 1 A 40 40 GLY N N 40 110.000 108.639 1.361 1
1 427 . 2 1 1 A 41 41 PRO HA H 41 4.380 4.343 0.037 1
1 434 . 2 1 1 A 41 41 PRO CA C 41 62.200 62.282 -0.082 1
1 435 . 2 1 1 A 41 41 PRO CB C 41 32.400 32.253 0.147 1
1 438 . 2 1 1 A 42 42 ARG H H 42 9.020 8.484 0.536 1
1 439 . 2 1 1 A 42 42 ARG HA H 42 3.790 3.934 -0.144 1
1 446 . 2 1 1 A 42 42 ARG CA C 42 60.400 58.877 1.523 1
1 447 . 2 1 1 A 42 42 ARG CB C 42 29.900 29.730 0.170 1
1 450 . 2 1 1 A 42 42 ARG N N 42 125.500 122.812 2.688 1
1 451 . 2 1 1 A 43 43 GLY H H 43 9.310 8.286 1.024 1
1 452 . 2 1 1 A 43 43 GLY HA2 H 43 3.890 3.670 0.220 1
1 453 . 2 1 1 A 43 43 GLY HA3 H 43 3.890 3.674 0.216 1
1 454 . 2 1 1 A 43 43 GLY CA C 43 47.000 47.497 -0.497 1
1 455 . 2 1 1 A 43 43 GLY N N 43 107.200 108.646 -1.446 1
1 456 . 2 1 1 A 44 44 VAL H H 44 6.930 8.056 -1.126 1
1 457 . 2 1 1 A 44 44 VAL HA H 44 3.800 3.773 0.027 1
1 465 . 2 1 1 A 44 44 VAL CA C 44 65.100 66.113 -1.013 1
1 466 . 2 1 1 A 44 44 VAL CB C 44 32.000 31.732 0.268 1
1 469 . 2 1 1 A 44 44 VAL N N 44 121.100 122.553 -1.453 1
1 470 . 2 1 1 A 45 45 LEU H H 45 7.830 7.577 0.253 1
1 471 . 2 1 1 A 45 45 LEU HA H 45 3.890 3.986 -0.096 1
1 481 . 2 1 1 A 45 45 LEU CA C 45 58.100 57.999 0.101 1
1 482 . 2 1 1 A 45 45 LEU CB C 45 41.800 41.462 0.338 1
1 486 . 2 1 1 A 45 45 LEU N N 45 120.700 119.842 0.858 1
1 487 . 2 1 1 A 46 46 THR H H 46 8.340 7.935 0.405 1
1 488 . 2 1 1 A 46 46 THR HA H 46 3.850 3.814 0.036 1
1 493 . 2 1 1 A 46 46 THR CA C 46 66.800 66.390 0.410 1
1 494 . 2 1 1 A 46 46 THR CB C 46 68.800 67.954 0.846 1
1 496 . 2 1 1 A 46 46 THR N N 46 114.900 116.020 -1.120 1
1 497 . 2 1 1 A 47 47 VAL H H 47 7.210 7.559 -0.349 1
1 498 . 2 1 1 A 47 47 VAL HA H 47 3.820 3.884 -0.064 1
1 506 . 2 1 1 A 47 47 VAL CA C 47 65.600 66.689 -1.089 1
1 507 . 2 1 1 A 47 47 VAL CB C 47 31.900 31.731 0.169 1
1 510 . 2 1 1 A 47 47 VAL N N 47 119.600 121.392 -1.792 1
1 511 . 2 1 1 A 48 48 PHE H H 48 8.140 8.566 -0.426 1
1 512 . 2 1 1 A 48 48 PHE HA H 48 4.210 4.090 0.120 1
1 520 . 2 1 1 A 48 48 PHE CA C 48 61.100 60.789 0.311 1
1 521 . 2 1 1 A 48 48 PHE CB C 48 39.200 39.237 -0.037 1
1 525 . 2 1 1 A 48 48 PHE N N 48 120.600 120.464 0.136 1
1 526 . 2 1 1 A 49 49 ARG H H 49 8.150 7.889 0.261 1
1 527 . 2 1 1 A 49 49 ARG HA H 49 3.710 4.015 -0.305 1
1 534 . 2 1 1 A 49 49 ARG CA C 49 58.500 59.176 -0.676 1
1 535 . 2 1 1 A 49 49 ARG CB C 49 30.000 29.820 0.180 1
1 538 . 2 1 1 A 49 49 ARG N N 49 117.500 117.632 -0.132 1
1 539 . 2 1 1 A 50 50 PHE H H 50 7.270 7.189 0.081 1
1 540 . 2 1 1 A 50 50 PHE HA H 50 4.620 4.290 0.330 1
1 548 . 2 1 1 A 50 50 PHE CA C 50 57.700 59.854 -2.154 1
1 549 . 2 1 1 A 50 50 PHE CB C 50 39.600 39.882 -0.282 1
1 553 . 2 1 1 A 50 50 PHE N N 50 115.500 116.477 -0.977 1
1 554 . 2 1 1 A 51 51 ALA H H 51 7.620 7.544 0.076 1
1 555 . 2 1 1 A 51 51 ALA HA H 51 4.320 4.323 -0.003 1
1 559 . 2 1 1 A 51 51 ALA CA C 51 51.700 52.344 -0.644 1
1 560 . 2 1 1 A 51 51 ALA CB C 51 19.300 19.366 -0.066 1
1 561 . 2 1 1 A 51 51 ALA N N 51 124.200 120.794 3.406 1
1 562 . 2 1 1 A 52 52 ARG H H 52 8.570 8.491 0.079 1
1 563 . 2 1 1 A 52 52 ARG HA H 52 4.270 4.519 -0.249 1
1 570 . 2 1 1 A 52 52 ARG CA C 52 54.700 54.528 0.172 1
1 571 . 2 1 1 A 52 52 ARG CB C 52 29.300 29.064 0.236 1
1 574 . 2 1 1 A 52 52 ARG N N 52 123.500 121.184 2.316 1
1 575 . 2 1 1 A 53 53 PRO HA H 53 4.240 3.723 0.517 1
1 582 . 2 1 1 A 53 53 PRO CA C 53 63.600 62.968 0.632 1
1 583 . 2 1 1 A 53 53 PRO CB C 53 31.600 31.760 -0.160 1
1 586 . 2 1 1 A 54 54 SER H H 54 8.100 8.440 -0.340 1
1 587 . 2 1 1 A 54 54 SER HA H 54 4.390 4.615 -0.225 1
1 590 . 2 1 1 A 54 54 SER CA C 54 57.200 57.511 -0.311 1
1 591 . 2 1 1 A 54 54 SER CB C 54 63.100 64.879 -1.779 1
1 592 . 2 1 1 A 54 54 SER N N 54 117.200 117.755 -0.555 1
1 593 . 2 1 1 A 55 55 TYR H H 55 6.640 6.895 -0.255 1
1 594 . 2 1 1 A 55 55 TYR HA H 55 5.030 5.427 -0.397 1
1 601 . 2 1 1 A 55 55 TYR CA C 55 53.900 56.106 -2.206 1
1 602 . 2 1 1 A 55 55 TYR CB C 55 39.200 40.473 -1.273 1
1 605 . 2 1 1 A 55 55 TYR N N 55 119.200 118.887 0.313 1
1 606 . 2 1 1 A 56 56 GLU H H 56 8.890 8.860 0.030 1
1 607 . 2 1 1 A 56 56 GLU HA H 56 4.740 5.322 -0.582 1
1 612 . 2 1 1 A 56 56 GLU CA C 56 55.700 54.997 0.703 1
1 613 . 2 1 1 A 56 56 GLU CB C 56 35.000 33.574 1.426 1
1 615 . 2 1 1 A 56 56 GLU N N 56 118.800 124.307 -5.507 1
1 616 . 2 1 1 A 57 57 VAL H H 57 8.830 9.037 -0.207 1
1 617 . 2 1 1 A 57 57 VAL HA H 57 5.370 5.133 0.237 1
1 625 . 2 1 1 A 57 57 VAL CA C 57 59.900 60.546 -0.646 1
1 626 . 2 1 1 A 57 57 VAL CB C 57 33.300 34.173 -0.873 1
1 629 . 2 1 1 A 57 57 VAL N N 57 117.800 118.780 -0.980 1
1 630 . 2 1 1 A 58 58 PHE H H 58 8.870 8.979 -0.109 1
1 631 . 2 1 1 A 58 58 PHE HA H 58 6.090 6.023 0.067 1
1 634 . 2 1 1 A 58 58 PHE CA C 58 55.600 55.621 -0.021 1
1 635 . 2 1 1 A 58 58 PHE CB C 58 42.700 42.892 -0.192 1
1 636 . 2 1 1 A 58 58 PHE N N 58 120.600 120.790 -0.190 1
1 637 . 2 1 1 A 59 59 VAL H H 59 8.270 8.847 -0.577 1
1 638 . 2 1 1 A 59 59 VAL HA H 59 4.730 4.913 -0.183 1
1 646 . 2 1 1 A 59 59 VAL CA C 59 58.500 60.216 -1.716 1
1 647 . 2 1 1 A 59 59 VAL CB C 59 34.800 35.332 -0.532 1
1 650 . 2 1 1 A 59 59 VAL N N 59 108.700 120.374 -11.674 1
1 651 . 2 1 1 A 60 60 ASP H H 60 9.360 8.875 0.485 1
1 652 . 2 1 1 A 60 60 ASP HA H 60 5.080 5.600 -0.520 1
1 655 . 2 1 1 A 60 60 ASP CA C 60 52.700 53.415 -0.715 1
1 656 . 2 1 1 A 60 60 ASP CB C 60 41.100 42.120 -1.020 1
1 657 . 2 1 1 A 60 60 ASP N N 60 123.000 127.037 -4.037 1
1 658 . 2 1 1 A 61 61 LEU H H 61 9.230 9.333 -0.103 1
1 659 . 2 1 1 A 61 61 LEU HA H 61 4.670 4.885 -0.215 1
1 669 . 2 1 1 A 61 61 LEU CA C 61 53.300 53.526 -0.226 1
1 670 . 2 1 1 A 61 61 LEU CB C 61 40.900 42.637 -1.737 1
1 674 . 2 1 1 A 61 61 LEU N N 61 128.600 125.715 2.885 1
1 675 . 2 1 1 A 62 62 THR H H 62 8.720 8.129 0.591 1
1 676 . 2 1 1 A 62 62 THR HA H 62 3.590 4.141 -0.551 1
1 681 . 2 1 1 A 62 62 THR CA C 62 67.000 65.253 1.747 1
1 682 . 2 1 1 A 62 62 THR CB C 62 69.100 68.310 0.790 1
1 684 . 2 1 1 A 62 62 THR N N 62 115.800 113.669 2.131 1
1 685 . 2 1 1 A 63 63 GLU H H 63 8.490 7.988 0.502 1
1 686 . 2 1 1 A 63 63 GLU HA H 63 4.530 4.173 0.357 1
1 691 . 2 1 1 A 63 63 GLU CA C 63 55.100 58.759 -3.659 1
1 692 . 2 1 1 A 63 63 GLU CB C 63 29.200 30.251 -1.051 1
1 694 . 2 1 1 A 63 63 GLU N N 63 118.800 122.407 -3.607 1
1 695 . 2 1 1 A 64 64 ALA H H 64 7.100 7.851 -0.751 1
1 696 . 2 1 1 A 64 64 ALA HA H 64 4.130 3.928 0.202 1
1 700 . 2 1 1 A 64 64 ALA CA C 64 51.500 54.007 -2.507 1
1 701 . 2 1 1 A 64 64 ALA CB C 64 20.900 17.818 3.082 1
1 702 . 2 1 1 A 64 64 ALA N N 64 123.700 122.102 1.598 1
1 703 . 2 1 1 A 65 65 GLY H H 65 7.800 8.587 -0.787 1
1 704 . 2 1 1 A 65 65 GLY HA2 H 65 4.180 3.843 0.337 1
1 705 . 2 1 1 A 65 65 GLY HA3 H 65 3.540 4.082 -0.542 1
1 706 . 2 1 1 A 65 65 GLY CA C 65 42.600 46.019 -3.419 1
1 707 . 2 1 1 A 65 65 GLY N N 65 106.800 105.241 1.559 1
1 708 . 2 1 1 A 66 66 GLU H H 66 8.490 8.444 0.046 1
1 709 . 2 1 1 A 66 66 GLU HA H 66 3.750 4.315 -0.565 1
1 714 . 2 1 1 A 66 66 GLU CA C 66 57.400 56.618 0.782 1
1 715 . 2 1 1 A 66 66 GLU CB C 66 30.300 31.051 -0.751 1
1 717 . 2 1 1 A 66 66 GLU N N 66 119.900 122.633 -2.733 1
1 718 . 2 1 1 A 67 67 GLY H H 67 8.470 8.705 -0.235 1
1 719 . 2 1 1 A 67 67 GLY HA2 H 67 3.770 3.847 -0.077 1
1 720 . 2 1 1 A 67 67 GLY HA3 H 67 4.390 3.862 0.528 1
1 721 . 2 1 1 A 67 67 GLY CA C 67 43.400 47.151 -3.751 1
1 722 . 2 1 1 A 67 67 GLY N N 67 110.800 111.353 -0.553 1
1 723 . 2 1 1 A 68 68 SER H H 68 8.250 8.428 -0.178 1
1 724 . 2 1 1 A 68 68 SER HA H 68 4.610 5.254 -0.644 1
1 727 . 2 1 1 A 68 68 SER CA C 68 57.700 56.627 1.073 1
1 728 . 2 1 1 A 68 68 SER CB C 68 63.300 65.440 -2.140 1
1 729 . 2 1 1 A 68 68 SER N N 68 114.500 119.364 -4.864 1
1 730 . 2 1 1 A 69 69 HIS H H 69 8.780 8.725 0.055 1
1 731 . 2 1 1 A 69 69 HIS HA H 69 4.790 5.021 -0.231 1
1 734 . 2 1 1 A 69 69 HIS CA C 69 55.300 54.857 0.443 1
1 735 . 2 1 1 A 69 69 HIS CB C 69 33.900 33.502 0.398 1
1 736 . 2 1 1 A 69 69 HIS N N 69 125.400 123.248 2.152 1
1 737 . 2 1 1 A 70 70 THR H H 70 8.870 8.878 -0.008 1
1 738 . 2 1 1 A 70 70 THR HA H 70 5.380 5.683 -0.303 1
1 743 . 2 1 1 A 70 70 THR CA C 70 61.600 60.151 1.449 1
1 744 . 2 1 1 A 70 70 THR CB C 70 69.400 71.428 -2.028 1
1 746 . 2 1 1 A 70 70 THR N N 70 121.200 116.442 4.758 1
1 747 . 2 1 1 A 71 71 VAL H H 71 8.860 8.992 -0.132 1
1 748 . 2 1 1 A 71 71 VAL HA H 71 4.730 4.902 -0.172 1
1 756 . 2 1 1 A 71 71 VAL CA C 71 58.900 58.863 0.037 1
1 757 . 2 1 1 A 71 71 VAL CB C 71 36.000 36.123 -0.123 1
1 760 . 2 1 1 A 71 71 VAL N N 71 122.100 121.026 1.074 1
1 761 . 2 1 1 A 72 72 ASP H H 72 8.610 8.576 0.034 1
1 762 . 2 1 1 A 72 72 ASP HA H 72 4.660 4.990 -0.330 1
1 765 . 2 1 1 A 72 72 ASP CA C 72 55.500 54.963 0.537 1
1 766 . 2 1 1 A 72 72 ASP CB C 72 40.800 41.349 -0.549 1
1 767 . 2 1 1 A 72 72 ASP N N 72 124.300 121.412 2.888 1
1 768 . 2 1 1 A 73 73 VAL H H 73 8.090 8.653 -0.563 1
1 769 . 2 1 1 A 73 73 VAL HA H 73 3.770 4.225 -0.455 1
1 777 . 2 1 1 A 73 73 VAL CA C 73 63.600 61.977 1.623 1
1 778 . 2 1 1 A 73 73 VAL CB C 73 31.600 32.530 -0.930 1
1 781 . 2 1 1 A 73 73 VAL N N 73 121.400 122.281 -0.881 1
1 782 . 2 1 1 A 74 74 GLU H H 74 8.900 8.503 0.397 1
1 783 . 2 1 1 A 74 74 GLU HA H 74 4.370 4.498 -0.128 1
1 788 . 2 1 1 A 74 74 GLU CA C 74 54.700 55.492 -0.792 1
1 789 . 2 1 1 A 74 74 GLU CB C 74 33.300 31.082 2.218 1
1 791 . 2 1 1 A 74 74 GLU N N 74 129.600 127.626 1.974 1
1 792 . 2 1 1 A 75 75 HIS H H 75 7.940 8.221 -0.281 1
1 793 . 2 1 1 A 75 75 HIS HA H 75 5.830 5.723 0.107 1
1 796 . 2 1 1 A 75 75 HIS CA C 75 54.100 53.772 0.328 1
1 797 . 2 1 1 A 75 75 HIS CB C 75 39.500 33.744 5.756 1
1 798 . 2 1 1 A 75 75 HIS N N 75 112.800 118.069 -5.269 1
1 799 . 2 1 1 A 76 76 ARG H H 76 9.210 8.959 0.251 1
1 800 . 2 1 1 A 76 76 ARG HA H 76 5.170 5.071 0.099 1
1 805 . 2 1 1 A 76 76 ARG CA C 76 55.300 55.045 0.255 1
1 806 . 2 1 1 A 76 76 ARG CB C 76 33.400 34.099 -0.699 1
1 808 . 2 1 1 A 76 76 ARG N N 76 117.100 121.422 -4.322 1
1 809 . 2 1 1 A 77 77 GLY H H 77 8.740 8.156 0.584 1
1 810 . 2 1 1 A 77 77 GLY HA2 H 77 4.410 3.989 0.421 1
1 811 . 2 1 1 A 77 77 GLY HA3 H 77 3.670 4.056 -0.386 1
1 812 . 2 1 1 A 77 77 GLY CA C 77 45.400 45.561 -0.161 1
1 813 . 2 1 1 A 77 77 GLY N N 77 107.400 113.204 -5.804 1
1 814 . 2 1 1 A 78 78 PHE H H 78 7.920 7.347 0.573 1
1 815 . 2 1 1 A 78 78 PHE HA H 78 4.450 4.727 -0.277 1
1 823 . 2 1 1 A 78 78 PHE CA C 78 54.200 55.832 -1.632 1
1 824 . 2 1 1 A 78 78 PHE CB C 78 41.000 39.018 1.982 1
1 828 . 2 1 1 A 78 78 PHE N N 78 120.200 122.870 -2.670 1
1 829 . 2 1 1 A 79 79 PRO HA H 79 4.470 4.855 -0.385 1
1 836 . 2 1 1 A 79 79 PRO CA C 79 63.300 62.114 1.186 1
1 837 . 2 1 1 A 79 79 PRO CB C 79 32.200 33.209 -1.009 1
1 840 . 2 1 1 A 80 80 GLY H H 80 8.820 8.667 0.153 1
1 841 . 2 1 1 A 80 80 GLY HA2 H 80 4.020 3.991 0.029 1
1 842 . 2 1 1 A 80 80 GLY HA3 H 80 3.890 4.004 -0.114 1
1 843 . 2 1 1 A 80 80 GLY CA C 80 46.600 45.647 0.953 1
1 844 . 2 1 1 A 80 80 GLY N N 80 110.100 107.039 3.061 1
1 845 . 2 1 1 A 81 81 ASP H H 81 8.360 7.955 0.405 1
1 846 . 2 1 1 A 81 81 ASP HA H 81 4.560 4.431 0.129 1
1 849 . 2 1 1 A 81 81 ASP CA C 81 53.800 56.585 -2.785 1
1 850 . 2 1 1 A 81 81 ASP CB C 81 40.300 41.414 -1.114 1
1 851 . 2 1 1 A 81 81 ASP N N 81 114.800 120.525 -5.725 1
1 852 . 2 1 1 A 82 82 LEU H H 82 7.400 7.516 -0.116 1
1 853 . 2 1 1 A 82 82 LEU HA H 82 4.720 4.284 0.436 1
1 863 . 2 1 1 A 82 82 LEU CA C 82 52.800 54.425 -1.625 1
1 864 . 2 1 1 A 82 82 LEU CB C 82 42.900 42.287 0.613 1
1 868 . 2 1 1 A 82 82 LEU N N 82 115.500 120.826 -5.326 1
1 869 . 2 1 1 A 83 83 ALA H H 83 8.930 8.808 0.122 1
1 870 . 2 1 1 A 83 83 ALA HA H 83 4.530 4.674 -0.144 1
1 874 . 2 1 1 A 83 83 ALA CA C 83 50.900 51.051 -0.151 1
1 875 . 2 1 1 A 83 83 ALA CB C 83 19.600 19.797 -0.197 1
1 876 . 2 1 1 A 83 83 ALA N N 83 124.900 124.643 0.257 1
1 877 . 2 1 1 A 84 84 VAL H H 84 8.570 8.936 -0.366 1
1 878 . 2 1 1 A 84 84 VAL HA H 84 3.930 4.179 -0.249 1
1 886 . 2 1 1 A 84 84 VAL CA C 84 61.300 61.679 -0.379 1
1 887 . 2 1 1 A 84 84 VAL CB C 84 32.800 31.488 1.312 1
1 890 . 2 1 1 A 84 84 VAL N N 84 126.800 124.014 2.786 1
1 891 . 2 1 1 A 85 85 THR H H 85 9.000 8.637 0.363 1
1 892 . 2 1 1 A 85 85 THR HA H 85 4.440 4.876 -0.436 1
1 897 . 2 1 1 A 85 85 THR CA C 85 61.900 61.796 0.104 1
1 898 . 2 1 1 A 85 85 THR CB C 85 70.100 69.583 0.517 1
1 900 . 2 1 1 A 85 85 THR N N 85 125.500 123.251 2.249 1
1 901 . 2 1 1 A 86 86 VAL H H 86 8.280 8.876 -0.596 1
1 902 . 2 1 1 A 86 86 VAL HA H 86 5.010 5.203 -0.193 1
1 910 . 2 1 1 A 86 86 VAL CA C 86 59.300 60.308 -1.008 1
1 911 . 2 1 1 A 86 86 VAL CB C 86 33.700 35.195 -1.495 1
1 914 . 2 1 1 A 86 86 VAL N N 86 123.200 123.713 -0.513 1
1 915 . 2 1 1 A 87 87 GLU H H 87 8.560 8.465 0.095 1
1 916 . 2 1 1 A 87 87 GLU HA H 87 4.720 4.812 -0.092 1
1 921 . 2 1 1 A 87 87 GLU CA C 87 52.400 53.721 -1.321 1
1 922 . 2 1 1 A 87 87 GLU CB C 87 33.600 31.107 2.493 1
1 924 . 2 1 1 A 87 87 GLU N N 87 124.400 126.847 -2.447 1
1 925 . 2 1 1 A 88 88 PRO HA H 88 4.770 4.850 -0.080 1
1 932 . 2 1 1 A 88 88 PRO CA C 88 62.800 61.707 1.093 1
1 933 . 2 1 1 A 88 88 PRO CB C 88 34.300 32.403 1.897 1
1 936 . 2 1 1 A 89 89 ARG H H 89 8.200 8.178 0.022 1
1 937 . 2 1 1 A 89 89 ARG HA H 89 4.050 4.157 -0.107 1
1 945 . 2 1 1 A 89 89 ARG CA C 89 57.300 57.840 -0.540 1
1 946 . 2 1 1 A 89 89 ARG CB C 89 30.700 30.449 0.251 1
1 949 . 2 1 1 A 89 89 ARG N N 89 114.400 120.732 -6.332 1
1 951 . 2 1 1 A 90 90 MET H H 90 7.750 7.727 0.023 1
1 952 . 2 1 1 A 90 90 MET HA H 90 5.060 4.923 0.137 1
1 960 . 2 1 1 A 90 90 MET CA C 90 53.700 54.059 -0.359 1
1 961 . 2 1 1 A 90 90 MET CB C 90 34.700 35.905 -1.205 1
1 964 . 2 1 1 A 90 90 MET N N 90 115.900 118.442 -2.542 1
1 965 . 2 1 1 A 91 91 ALA H H 91 9.020 9.628 -0.608 1
1 966 . 2 1 1 A 91 91 ALA HA H 91 4.640 5.338 -0.698 1
1 970 . 2 1 1 A 91 91 ALA CA C 91 49.300 50.143 -0.843 1
1 971 . 2 1 1 A 91 91 ALA CB C 91 23.600 23.242 0.358 1
1 972 . 2 1 1 A 91 91 ALA N N 91 123.200 129.580 -6.380 1
1 973 . 2 1 1 A 92 92 ARG H H 92 8.370 8.879 -0.509 1
1 974 . 2 1 1 A 92 92 ARG HA H 92 5.480 5.489 -0.009 1
1 982 . 2 1 1 A 92 92 ARG CA C 92 54.000 54.404 -0.404 1
1 983 . 2 1 1 A 92 92 ARG CB C 92 32.600 33.584 -0.984 1
1 986 . 2 1 1 A 92 92 ARG N N 92 119.600 117.447 2.153 1
1 988 . 2 1 1 A 93 93 VAL H H 93 8.920 8.522 0.398 1
1 989 . 2 1 1 A 93 93 VAL HA H 93 4.510 4.828 -0.318 1
1 997 . 2 1 1 A 93 93 VAL CA C 93 61.000 60.346 0.654 1
1 998 . 2 1 1 A 93 93 VAL CB C 93 36.900 35.428 1.472 1
1 1001 . 2 1 1 A 93 93 VAL N N 93 124.100 122.175 1.925 1
1 1002 . 2 1 1 A 94 94 GLN H H 94 8.930 9.331 -0.401 1
1 1003 . 2 1 1 A 94 94 GLN HA H 94 5.400 5.087 0.313 1
1 1010 . 2 1 1 A 94 94 GLN CA C 94 53.500 54.181 -0.681 1
1 1011 . 2 1 1 A 94 94 GLN CB C 94 30.300 32.304 -2.004 1
1 1013 . 2 1 1 A 94 94 GLN N N 94 127.900 127.450 0.450 1
1 1015 . 2 1 1 A 95 95 LEU H H 95 8.870 8.689 0.181 1
1 1016 . 2 1 1 A 95 95 LEU HA H 95 5.390 5.214 0.176 1
1 1026 . 2 1 1 A 95 95 LEU CA C 95 53.000 53.365 -0.365 1
1 1027 . 2 1 1 A 95 95 LEU CB C 95 44.800 43.786 1.014 1
1 1031 . 2 1 1 A 95 95 LEU N N 95 126.400 128.271 -1.871 1
1 1032 . 2 1 1 A 96 96 GLU H H 96 9.300 9.013 0.287 1
1 1033 . 2 1 1 A 96 96 GLU HA H 96 5.000 5.116 -0.116 1
1 1038 . 2 1 1 A 96 96 GLU CA C 96 54.300 54.465 -0.165 1
1 1039 . 2 1 1 A 96 96 GLU CB C 96 33.800 33.273 0.527 1
1 1041 . 2 1 1 A 96 96 GLU N N 96 122.700 125.655 -2.955 1
1 1042 . 2 1 1 A 97 97 GLU H H 97 9.730 8.837 0.893 1
1 1043 . 2 1 1 A 97 97 GLU HA H 97 4.360 4.435 -0.075 1
1 1048 . 2 1 1 A 97 97 GLU CA C 97 57.600 55.538 2.062 1
1 1049 . 2 1 1 A 97 97 GLU CB C 97 30.000 28.461 1.539 1
1 1051 . 2 1 1 A 97 97 GLU N N 97 126.200 126.811 -0.611 1
1 1052 . 2 1 1 A 98 98 ARG H H 98 8.300 9.237 -0.937 1
1 1053 . 2 1 1 A 98 98 ARG HA H 98 4.180 4.006 0.174 1
1 1061 . 2 1 1 A 98 98 ARG CA C 98 56.800 56.841 -0.041 1
1 1062 . 2 1 1 A 98 98 ARG CB C 98 30.700 29.499 1.201 1
1 1065 . 2 1 1 A 98 98 ARG N N 98 126.500 127.083 -0.583 1
1 1067 . 2 1 1 A 99 99 GLN H H 99 8.810 8.686 0.124 1
1 1068 . 2 1 1 A 99 99 GLN HA H 99 4.370 4.143 0.227 1
1 1075 . 2 1 1 A 99 99 GLN CA C 99 55.600 57.990 -2.390 1
1 1076 . 2 1 1 A 99 99 GLN CB C 99 29.500 28.921 0.579 1
1 1078 . 2 1 1 A 99 99 GLN N N 99 123.700 125.170 -1.470 1
1 1080 . 2 1 1 A 100 100 THR H H 100 8.340 8.532 -0.192 1
1 1081 . 2 1 1 A 100 100 THR HA H 100 4.330 3.987 0.343 1
1 1086 . 2 1 1 A 100 100 THR CA C 100 61.700 64.034 -2.334 1
1 1087 . 2 1 1 A 100 100 THR CB C 100 69.800 66.905 2.895 1
1 1089 . 2 1 1 A 100 100 THR N N 100 116.700 112.812 3.888 1
1 1090 . 2 1 1 A 101 101 VAL H H 101 8.290 7.800 0.490 1
1 1091 . 2 1 1 A 101 101 VAL HA H 101 4.170 4.367 -0.197 1
1 1099 . 2 1 1 A 101 101 VAL CA C 101 61.900 60.753 1.147 1
1 1100 . 2 1 1 A 101 101 VAL CB C 101 32.800 33.913 -1.113 1
1 1103 . 2 1 1 A 101 101 VAL N N 101 122.900 122.107 0.793 1
1 1104 . 2 1 1 A 102 102 SER H H 102 8.490 8.858 -0.368 1
1 1105 . 2 1 1 A 102 102 SER HA H 102 4.470 4.674 -0.204 1
1 1108 . 2 1 1 A 102 102 SER CA C 102 58.000 58.022 -0.022 1
1 1109 . 2 1 1 A 102 102 SER CB C 102 63.600 61.642 1.958 1
1 1110 . 2 1 1 A 102 102 SER N N 102 120.700 124.001 -3.301 1
1 1111 . 2 1 1 A 103 103 VAL H H 103 8.240 8.673 -0.433 1
1 1112 . 2 1 1 A 103 103 VAL HA H 103 4.420 4.695 -0.275 1
1 1120 . 2 1 1 A 103 103 VAL CA C 103 59.700 59.541 0.159 1
1 1121 . 2 1 1 A 103 103 VAL CB C 103 32.700 33.453 -0.753 1
1 1124 . 2 1 1 A 103 103 VAL N N 103 123.900 126.853 -2.953 1
1 1125 . 2 1 1 A 104 104 PRO HA H 104 4.420 4.680 -0.260 1
1 1132 . 2 1 1 A 104 104 PRO CA C 104 63.000 62.423 0.577 1
1 1133 . 2 1 1 A 104 104 PRO CB C 104 32.000 32.502 -0.502 1
1 1136 . 2 1 1 A 105 105 VAL H H 105 8.340 8.339 0.001 1
1 1137 . 2 1 1 A 105 105 VAL HA H 105 4.130 4.524 -0.394 1
1 1145 . 2 1 1 A 105 105 VAL CA C 105 62.200 60.249 1.951 1
1 1146 . 2 1 1 A 105 105 VAL CB C 105 32.600 32.841 -0.241 1
1 1149 . 2 1 1 A 105 105 VAL N N 105 121.000 116.565 4.435 1
1 1150 . 2 1 1 A 106 106 THR H H 106 8.210 8.542 -0.332 1
1 1151 . 2 1 1 A 106 106 THR HA H 106 4.380 5.000 -0.620 1
1 1156 . 2 1 1 A 106 106 THR CA C 106 61.400 60.454 0.946 1
1 1157 . 2 1 1 A 106 106 THR CB C 106 70.000 71.796 -1.796 1
1 1159 . 2 1 1 A 106 106 THR N N 106 118.700 117.787 0.913 1
1 1160 . 2 1 1 A 107 107 VAL H H 107 8.280 8.984 -0.704 1
1 1161 . 2 1 1 A 107 107 VAL HA H 107 4.050 4.956 -0.906 1
1 1169 . 2 1 1 A 107 107 VAL CA C 107 62.600 59.277 3.323 1
1 1170 . 2 1 1 A 107 107 VAL CB C 107 32.600 34.879 -2.279 1
1 1173 . 2 1 1 A 107 107 VAL N N 107 122.700 124.995 -2.295 1
1 1174 . 2 1 1 A 108 108 GLU H H 108 8.500 8.732 -0.232 1
1 1175 . 2 1 1 A 108 108 GLU HA H 108 4.230 4.556 -0.326 1
1 1180 . 2 1 1 A 108 108 GLU CA C 108 56.600 55.567 1.033 1
1 1181 . 2 1 1 A 108 108 GLU CB C 108 30.000 29.389 0.611 1
1 1183 . 2 1 1 A 108 108 GLU N N 108 124.100 127.403 -3.303 1
1 1184 . 2 1 1 A 109 109 MET H H 109 8.570 9.066 -0.496 1
1 1185 . 2 1 1 A 109 109 MET HA H 109 4.460 4.710 -0.250 1
1 1188 . 2 1 1 A 109 109 MET CA C 109 55.300 55.048 0.252 1
1 1189 . 2 1 1 A 109 109 MET CB C 109 26.800 32.960 -6.160 1
1 1190 . 2 1 1 A 109 109 MET N N 109 121.300 124.610 -3.310 1
1 1191 . 2 1 1 A 110 110 ILE H H 110 8.280 8.962 -0.682 1
1 1192 . 2 1 1 A 110 110 ILE HA H 110 4.080 4.809 -0.729 1
1 1202 . 2 1 1 A 110 110 ILE CA C 110 61.400 60.160 1.240 1
1 1203 . 2 1 1 A 110 110 ILE CB C 110 38.700 40.044 -1.344 1
1 1207 . 2 1 1 A 110 110 ILE N N 110 122.600 129.245 -6.645 1
1 1208 . 2 1 1 A 111 111 ASN H H 111 8.590 9.098 -0.508 1
1 1209 . 2 1 1 A 111 111 ASN HA H 111 4.690 5.019 -0.329 1
1 1214 . 2 1 1 A 111 111 ASN CA C 111 53.000 51.903 1.097 1
1 1215 . 2 1 1 A 111 111 ASN CB C 111 38.600 38.901 -0.301 1
1 1216 . 2 1 1 A 111 111 ASN N N 111 122.800 129.425 -6.625 1
1 1218 . 2 1 1 A 112 112 LEU H H 112 8.340 9.007 -0.667 1
1 1219 . 2 1 1 A 112 112 LEU HA H 112 4.240 4.705 -0.465 1
1 1229 . 2 1 1 A 112 112 LEU CA C 112 55.400 53.873 1.527 1
1 1230 . 2 1 1 A 112 112 LEU CB C 112 42.100 41.861 0.239 1
1 1 . 3 1 1 A 3 3 THR HA H 3 4.250 4.414 -0.164 1
1 6 . 3 1 1 A 3 3 THR CA C 3 62.000 61.106 0.894 1
1 7 . 3 1 1 A 3 3 THR CB C 3 69.700 69.001 0.699 1
1 9 . 3 1 1 A 4 4 PHE H H 4 8.440 8.247 0.193 1
1 10 . 3 1 1 A 4 4 PHE HA H 4 4.650 5.084 -0.434 1
1 17 . 3 1 1 A 4 4 PHE CA C 4 57.700 55.727 1.973 1
1 18 . 3 1 1 A 4 4 PHE CB C 4 39.400 41.190 -1.790 1
1 21 . 3 1 1 A 4 4 PHE N N 4 122.400 124.460 -2.060 1
1 22 . 3 1 1 A 5 5 ASP H H 5 8.500 8.993 -0.493 1
1 23 . 3 1 1 A 5 5 ASP HA H 5 4.600 4.902 -0.302 1
1 26 . 3 1 1 A 5 5 ASP CA C 5 53.900 53.652 0.248 1
1 27 . 3 1 1 A 5 5 ASP CB C 5 40.700 42.477 -1.777 1
1 28 . 3 1 1 A 5 5 ASP N N 5 121.800 120.126 1.674 1
1 29 . 3 1 1 A 6 6 HIS H H 6 8.240 8.685 -0.445 1
1 30 . 3 1 1 A 6 6 HIS HA H 6 4.780 4.542 0.238 1
1 34 . 3 1 1 A 6 6 HIS CA C 6 55.300 58.077 -2.777 1
1 35 . 3 1 1 A 6 6 HIS CB C 6 31.500 28.599 2.901 1
1 37 . 3 1 1 A 6 6 HIS N N 6 120.400 125.548 -5.148 1
1 38 . 3 1 1 A 7 7 GLY H H 7 8.660 8.932 -0.272 1
1 39 . 3 1 1 A 7 7 GLY HA2 H 7 4.500 4.226 0.274 1
1 40 . 3 1 1 A 7 7 GLY HA3 H 7 3.580 4.261 -0.681 1
1 41 . 3 1 1 A 7 7 GLY CA C 7 44.200 44.547 -0.347 1
1 42 . 3 1 1 A 7 7 GLY N N 7 109.200 107.602 1.598 1
1 43 . 3 1 1 A 8 8 ASN H H 8 8.040 8.753 -0.713 1
1 44 . 3 1 1 A 8 8 ASN HA H 8 5.500 5.836 -0.336 1
1 49 . 3 1 1 A 8 8 ASN CA C 8 52.600 51.944 0.656 1
1 50 . 3 1 1 A 8 8 ASN CB C 8 42.700 42.836 -0.136 1
1 51 . 3 1 1 A 8 8 ASN N N 8 115.100 116.576 -1.476 1
1 53 . 3 1 1 A 9 9 LEU H H 9 8.850 9.409 -0.559 1
1 54 . 3 1 1 A 9 9 LEU HA H 9 4.530 4.971 -0.441 1
1 64 . 3 1 1 A 9 9 LEU CA C 9 54.700 53.962 0.738 1
1 65 . 3 1 1 A 9 9 LEU CB C 9 47.000 45.948 1.052 1
1 69 . 3 1 1 A 9 9 LEU N N 9 123.500 123.106 0.394 1
1 70 . 3 1 1 A 10 10 SER H H 10 8.850 8.529 0.321 1
1 71 . 3 1 1 A 10 10 SER HA H 10 5.030 5.036 -0.006 1
1 74 . 3 1 1 A 10 10 SER CA C 10 57.000 56.556 0.444 1
1 75 . 3 1 1 A 10 10 SER CB C 10 63.900 64.060 -0.160 1
1 76 . 3 1 1 A 10 10 SER N N 10 121.800 117.447 4.353 1
1 77 . 3 1 1 A 11 11 LEU H H 11 8.820 8.563 0.257 1
1 78 . 3 1 1 A 11 11 LEU HA H 11 4.460 4.084 0.376 1
1 88 . 3 1 1 A 11 11 LEU CA C 11 54.400 56.746 -2.346 1
1 89 . 3 1 1 A 11 11 LEU CB C 11 41.900 42.503 -0.603 1
1 93 . 3 1 1 A 11 11 LEU N N 11 127.300 126.006 1.294 1
1 94 . 3 1 1 A 12 12 GLY H H 12 8.140 7.377 0.763 1
1 95 . 3 1 1 A 12 12 GLY HA2 H 12 3.720 4.029 -0.309 1
1 96 . 3 1 1 A 12 12 GLY HA3 H 12 4.080 4.038 0.042 1
1 97 . 3 1 1 A 12 12 GLY CA C 12 44.700 44.027 0.673 1
1 98 . 3 1 1 A 12 12 GLY N N 12 108.000 105.483 2.517 1
1 99 . 3 1 1 A 13 13 GLU H H 13 8.210 8.325 -0.115 1
1 100 . 3 1 1 A 13 13 GLU HA H 13 4.560 4.581 -0.021 1
1 105 . 3 1 1 A 13 13 GLU CA C 13 55.700 56.176 -0.476 1
1 106 . 3 1 1 A 13 13 GLU CB C 13 30.300 30.166 0.134 1
1 108 . 3 1 1 A 13 13 GLU N N 13 119.000 122.129 -3.129 1
1 109 . 3 1 1 A 14 14 LEU H H 14 9.360 8.873 0.487 1
1 110 . 3 1 1 A 14 14 LEU HA H 14 4.720 4.996 -0.276 1
1 120 . 3 1 1 A 14 14 LEU CA C 14 53.400 53.465 -0.065 1
1 121 . 3 1 1 A 14 14 LEU CB C 14 44.200 44.529 -0.329 1
1 125 . 3 1 1 A 14 14 LEU N N 14 126.700 126.856 -0.156 1
1 126 . 3 1 1 A 15 15 GLU H H 15 8.680 8.521 0.159 1
1 127 . 3 1 1 A 15 15 GLU HA H 15 4.240 4.632 -0.392 1
1 132 . 3 1 1 A 15 15 GLU CA C 15 56.900 56.314 0.586 1
1 133 . 3 1 1 A 15 15 GLU CB C 15 29.900 30.532 -0.632 1
1 135 . 3 1 1 A 15 15 GLU N N 15 120.600 122.499 -1.899 1
1 136 . 3 1 1 A 16 16 LEU H H 16 7.740 8.392 -0.652 1
1 137 . 3 1 1 A 16 16 LEU HA H 16 4.360 4.855 -0.495 1
1 147 . 3 1 1 A 16 16 LEU CA C 16 54.000 54.205 -0.205 1
1 148 . 3 1 1 A 16 16 LEU CB C 16 43.300 43.052 0.248 1
1 152 . 3 1 1 A 16 16 LEU N N 16 125.200 128.069 -2.869 1
1 153 . 3 1 1 A 17 17 THR H H 17 8.500 9.432 -0.932 1
1 154 . 3 1 1 A 17 17 THR HA H 17 4.420 4.992 -0.572 1
1 159 . 3 1 1 A 17 17 THR CA C 17 63.100 62.038 1.062 1
1 160 . 3 1 1 A 17 17 THR CB C 17 69.600 69.901 -0.301 1
1 162 . 3 1 1 A 17 17 THR N N 17 127.300 124.645 2.655 1
1 163 . 3 1 1 A 18 18 VAL H H 18 8.840 9.243 -0.403 1
1 164 . 3 1 1 A 18 18 VAL HA H 18 4.490 4.730 -0.240 1
1 172 . 3 1 1 A 18 18 VAL CA C 18 61.100 61.111 -0.011 1
1 173 . 3 1 1 A 18 18 VAL CB C 18 33.300 33.383 -0.083 1
1 176 . 3 1 1 A 18 18 VAL N N 18 127.000 127.903 -0.903 1
1 177 . 3 1 1 A 19 19 LEU H H 19 8.830 9.460 -0.630 1
1 178 . 3 1 1 A 19 19 LEU HA H 19 4.920 4.945 -0.025 1
1 188 . 3 1 1 A 19 19 LEU CA C 19 53.400 54.163 -0.763 1
1 189 . 3 1 1 A 19 19 LEU CB C 19 41.200 41.610 -0.410 1
1 193 . 3 1 1 A 19 19 LEU N N 19 128.500 128.464 0.036 1
1 194 . 3 1 1 A 20 20 TYR H H 20 8.470 8.776 -0.306 1
1 195 . 3 1 1 A 20 20 TYR HA H 20 4.280 5.275 -0.995 1
1 202 . 3 1 1 A 20 20 TYR CA C 20 55.600 55.744 -0.144 1
1 203 . 3 1 1 A 20 20 TYR CB C 20 38.200 40.888 -2.688 1
1 206 . 3 1 1 A 20 20 TYR N N 20 120.300 121.777 -1.477 1
1 207 . 3 1 1 A 21 21 ASP H H 21 8.920 8.904 0.016 1
1 208 . 3 1 1 A 21 21 ASP HA H 21 4.640 5.002 -0.362 1
1 211 . 3 1 1 A 21 21 ASP CA C 21 53.000 52.746 0.254 1
1 212 . 3 1 1 A 21 21 ASP CB C 21 39.300 42.570 -3.270 1
1 213 . 3 1 1 A 21 21 ASP N N 21 118.600 121.315 -2.715 1
1 214 . 3 1 1 A 22 22 GLU H H 22 7.930 8.711 -0.781 1
1 215 . 3 1 1 A 22 22 GLU HA H 22 4.250 4.390 -0.140 1
1 220 . 3 1 1 A 22 22 GLU CA C 22 57.000 57.133 -0.133 1
1 221 . 3 1 1 A 22 22 GLU CB C 22 29.000 28.449 0.551 1
1 223 . 3 1 1 A 22 22 GLU N N 22 126.600 124.562 2.038 1
1 224 . 3 1 1 A 23 23 GLU H H 23 8.060 8.095 -0.035 1
1 225 . 3 1 1 A 23 23 GLU HA H 23 4.130 4.079 0.051 1
1 230 . 3 1 1 A 23 23 GLU CA C 23 57.800 59.118 -1.318 1
1 231 . 3 1 1 A 23 23 GLU CB C 23 29.500 29.168 0.332 1
1 233 . 3 1 1 A 23 23 GLU N N 23 117.800 120.520 -2.720 1
1 234 . 3 1 1 A 24 24 ARG H H 24 7.070 7.865 -0.795 1
1 235 . 3 1 1 A 24 24 ARG HA H 24 4.170 4.322 -0.152 1
1 243 . 3 1 1 A 24 24 ARG CA C 24 56.500 56.932 -0.432 1
1 244 . 3 1 1 A 24 24 ARG CB C 24 33.500 32.050 1.450 1
1 247 . 3 1 1 A 24 24 ARG N N 24 116.700 116.385 0.315 1
1 249 . 3 1 1 A 25 25 TYR H H 25 8.150 7.865 0.285 1
1 250 . 3 1 1 A 25 25 TYR HA H 25 5.470 5.348 0.122 1
1 257 . 3 1 1 A 25 25 TYR CA C 25 56.900 57.411 -0.511 1
1 258 . 3 1 1 A 25 25 TYR CB C 25 43.100 40.831 2.269 1
1 261 . 3 1 1 A 25 25 TYR N N 25 116.800 116.514 0.286 1
1 262 . 3 1 1 A 26 26 ASP H H 26 9.120 8.727 0.393 1
1 263 . 3 1 1 A 26 26 ASP HA H 26 5.250 5.261 -0.011 1
1 266 . 3 1 1 A 26 26 ASP CA C 26 52.400 52.635 -0.235 1
1 267 . 3 1 1 A 26 26 ASP CB C 26 44.500 45.287 -0.787 1
1 268 . 3 1 1 A 26 26 ASP N N 26 116.900 121.328 -4.428 1
1 269 . 3 1 1 A 27 27 ILE H H 27 8.640 8.795 -0.155 1
1 270 . 3 1 1 A 27 27 ILE HA H 27 4.100 3.970 0.130 1
1 280 . 3 1 1 A 27 27 ILE CA C 27 61.400 61.350 0.050 1
1 281 . 3 1 1 A 27 27 ILE CB C 27 38.600 36.875 1.725 1
1 285 . 3 1 1 A 27 27 ILE N N 27 121.200 124.681 -3.481 1
1 286 . 3 1 1 A 28 28 VAL H H 28 8.840 8.486 0.354 1
1 287 . 3 1 1 A 28 28 VAL HA H 28 3.930 3.971 -0.041 1
1 295 . 3 1 1 A 28 28 VAL CA C 28 63.800 64.112 -0.312 1
1 296 . 3 1 1 A 28 28 VAL CB C 28 32.900 32.681 0.219 1
1 299 . 3 1 1 A 28 28 VAL N N 28 128.700 129.287 -0.587 1
1 300 . 3 1 1 A 29 29 GLU H H 29 7.180 7.212 -0.032 1
1 301 . 3 1 1 A 29 29 GLU HA H 29 4.490 4.726 -0.236 1
1 306 . 3 1 1 A 29 29 GLU CA C 29 55.200 54.862 0.338 1
1 307 . 3 1 1 A 29 29 GLU CB C 29 32.900 34.011 -1.111 1
1 309 . 3 1 1 A 29 29 GLU N N 29 116.000 119.050 -3.050 1
1 310 . 3 1 1 A 30 30 GLN H H 30 8.760 8.746 0.014 1
1 311 . 3 1 1 A 30 30 GLN HA H 30 5.450 4.897 0.553 1
1 314 . 3 1 1 A 30 30 GLN CA C 30 54.200 54.778 -0.578 1
1 315 . 3 1 1 A 30 30 GLN CB C 30 33.100 30.720 2.380 1
1 316 . 3 1 1 A 30 30 GLN N N 30 117.200 118.611 -1.411 1
1 317 . 3 1 1 A 31 31 THR H H 31 8.200 8.787 -0.587 1
1 318 . 3 1 1 A 31 31 THR HA H 31 4.160 4.530 -0.370 1
1 323 . 3 1 1 A 31 31 THR CA C 31 64.500 62.288 2.212 1
1 324 . 3 1 1 A 31 31 THR CB C 31 70.300 68.196 2.104 1
1 326 . 3 1 1 A 31 31 THR N N 31 119.400 117.097 2.303 1
1 327 . 3 1 1 A 32 32 GLU H H 32 9.230 8.913 0.317 1
1 328 . 3 1 1 A 32 32 GLU HA H 32 4.170 4.122 0.048 1
1 333 . 3 1 1 A 32 32 GLU CA C 32 60.000 59.727 0.273 1
1 334 . 3 1 1 A 32 32 GLU CB C 32 31.000 30.231 0.769 1
1 336 . 3 1 1 A 32 32 GLU N N 32 129.600 127.493 2.107 1
1 337 . 3 1 1 A 33 33 THR H H 33 7.510 8.100 -0.590 1
1 338 . 3 1 1 A 33 33 THR HA H 33 5.320 5.176 0.144 1
1 343 . 3 1 1 A 33 33 THR CA C 33 58.500 59.801 -1.301 1
1 344 . 3 1 1 A 33 33 THR CB C 33 73.100 72.164 0.936 1
1 346 . 3 1 1 A 33 33 THR N N 33 107.500 110.237 -2.737 1
1 347 . 3 1 1 A 34 34 VAL H H 34 8.700 8.454 0.246 1
1 348 . 3 1 1 A 34 34 VAL HA H 34 4.670 4.908 -0.238 1
1 356 . 3 1 1 A 34 34 VAL CA C 34 59.200 60.153 -0.953 1
1 357 . 3 1 1 A 34 34 VAL CB C 34 35.200 35.385 -0.185 1
1 360 . 3 1 1 A 34 34 VAL N N 34 112.000 120.975 -8.975 1
1 361 . 3 1 1 A 35 35 GLN H H 35 8.930 8.772 0.158 1
1 362 . 3 1 1 A 35 35 GLN HA H 35 4.790 4.614 0.176 1
1 369 . 3 1 1 A 35 35 GLN CA C 35 54.800 55.085 -0.285 1
1 370 . 3 1 1 A 35 35 GLN CB C 35 29.900 29.716 0.184 1
1 372 . 3 1 1 A 35 35 GLN N N 35 123.200 125.240 -2.040 1
1 374 . 3 1 1 A 36 36 VAL H H 36 7.940 8.482 -0.542 1
1 375 . 3 1 1 A 36 36 VAL HA H 36 4.850 5.254 -0.404 1
1 383 . 3 1 1 A 36 36 VAL CA C 36 61.300 61.131 0.169 1
1 384 . 3 1 1 A 36 36 VAL CB C 36 34.200 33.789 0.411 1
1 387 . 3 1 1 A 36 36 VAL N N 36 124.300 126.607 -2.307 1
1 388 . 3 1 1 A 37 37 ASP H H 37 8.670 8.981 -0.311 1
1 389 . 3 1 1 A 37 37 ASP HA H 37 5.240 5.307 -0.067 1
1 392 . 3 1 1 A 37 37 ASP CA C 37 53.000 52.776 0.224 1
1 393 . 3 1 1 A 37 37 ASP CB C 37 44.700 44.537 0.163 1
1 394 . 3 1 1 A 37 37 ASP N N 37 126.900 127.630 -0.730 1
1 395 . 3 1 1 A 38 38 LEU H H 38 8.850 8.941 -0.091 1
1 396 . 3 1 1 A 38 38 LEU HA H 38 5.160 5.326 -0.166 1
1 406 . 3 1 1 A 38 38 LEU CA C 38 52.400 53.475 -1.075 1
1 407 . 3 1 1 A 38 38 LEU CB C 38 46.100 44.639 1.461 1
1 411 . 3 1 1 A 38 38 LEU N N 38 119.100 125.610 -6.510 1
1 412 . 3 1 1 A 39 39 GLU H H 39 8.380 8.943 -0.563 1
1 413 . 3 1 1 A 39 39 GLU HA H 39 5.210 5.130 0.080 1
1 418 . 3 1 1 A 39 39 GLU CA C 39 54.600 54.698 -0.098 1
1 419 . 3 1 1 A 39 39 GLU CB C 39 33.900 33.048 0.852 1
1 421 . 3 1 1 A 39 39 GLU N N 39 120.800 121.560 -0.760 1
1 422 . 3 1 1 A 40 40 GLY H H 40 8.110 8.419 -0.309 1
1 423 . 3 1 1 A 40 40 GLY HA2 H 40 4.230 3.915 0.315 1
1 424 . 3 1 1 A 40 40 GLY HA3 H 40 3.730 4.013 -0.283 1
1 425 . 3 1 1 A 40 40 GLY CA C 40 45.000 43.998 1.002 1
1 426 . 3 1 1 A 40 40 GLY N N 40 110.000 108.478 1.522 1
1 427 . 3 1 1 A 41 41 PRO HA H 41 4.380 4.662 -0.282 1
1 434 . 3 1 1 A 41 41 PRO CA C 41 62.200 63.162 -0.962 1
1 435 . 3 1 1 A 41 41 PRO CB C 41 32.400 31.833 0.567 1
1 438 . 3 1 1 A 42 42 ARG H H 42 9.020 8.625 0.395 1
1 439 . 3 1 1 A 42 42 ARG HA H 42 3.790 3.963 -0.173 1
1 446 . 3 1 1 A 42 42 ARG CA C 42 60.400 58.887 1.513 1
1 447 . 3 1 1 A 42 42 ARG CB C 42 29.900 29.806 0.094 1
1 450 . 3 1 1 A 42 42 ARG N N 42 125.500 123.927 1.573 1
1 451 . 3 1 1 A 43 43 GLY H H 43 9.310 8.372 0.938 1
1 452 . 3 1 1 A 43 43 GLY HA2 H 43 3.890 3.697 0.193 1
1 453 . 3 1 1 A 43 43 GLY HA3 H 43 3.890 3.704 0.186 1
1 454 . 3 1 1 A 43 43 GLY CA C 43 47.000 47.509 -0.509 1
1 455 . 3 1 1 A 43 43 GLY N N 43 107.200 108.976 -1.776 1
1 456 . 3 1 1 A 44 44 VAL H H 44 6.930 8.351 -1.421 1
1 457 . 3 1 1 A 44 44 VAL HA H 44 3.800 3.797 0.003 1
1 465 . 3 1 1 A 44 44 VAL CA C 44 65.100 66.042 -0.942 1
1 466 . 3 1 1 A 44 44 VAL CB C 44 32.000 31.870 0.130 1
1 469 . 3 1 1 A 44 44 VAL N N 44 121.100 122.952 -1.852 1
1 470 . 3 1 1 A 45 45 LEU H H 45 7.830 7.528 0.302 1
1 471 . 3 1 1 A 45 45 LEU HA H 45 3.890 3.721 0.169 1
1 481 . 3 1 1 A 45 45 LEU CA C 45 58.100 57.642 0.458 1
1 482 . 3 1 1 A 45 45 LEU CB C 45 41.800 41.042 0.758 1
1 486 . 3 1 1 A 45 45 LEU N N 45 120.700 119.871 0.829 1
1 487 . 3 1 1 A 46 46 THR H H 46 8.340 7.920 0.420 1
1 488 . 3 1 1 A 46 46 THR HA H 46 3.850 3.764 0.086 1
1 493 . 3 1 1 A 46 46 THR CA C 46 66.800 66.394 0.406 1
1 494 . 3 1 1 A 46 46 THR CB C 46 68.800 68.273 0.527 1
1 496 . 3 1 1 A 46 46 THR N N 46 114.900 116.007 -1.107 1
1 497 . 3 1 1 A 47 47 VAL H H 47 7.210 7.630 -0.420 1
1 498 . 3 1 1 A 47 47 VAL HA H 47 3.820 3.750 0.070 1
1 506 . 3 1 1 A 47 47 VAL CA C 47 65.600 66.626 -1.026 1
1 507 . 3 1 1 A 47 47 VAL CB C 47 31.900 31.749 0.151 1
1 510 . 3 1 1 A 47 47 VAL N N 47 119.600 121.229 -1.629 1
1 511 . 3 1 1 A 48 48 PHE H H 48 8.140 7.786 0.354 1
1 512 . 3 1 1 A 48 48 PHE HA H 48 4.210 4.477 -0.267 1
1 520 . 3 1 1 A 48 48 PHE CA C 48 61.100 60.073 1.027 1
1 521 . 3 1 1 A 48 48 PHE CB C 48 39.200 37.859 1.341 1
1 525 . 3 1 1 A 48 48 PHE N N 48 120.600 117.548 3.052 1
1 526 . 3 1 1 A 49 49 ARG H H 49 8.150 7.440 0.710 1
1 527 . 3 1 1 A 49 49 ARG HA H 49 3.710 4.284 -0.574 1
1 534 . 3 1 1 A 49 49 ARG CA C 49 58.500 58.327 0.173 1
1 535 . 3 1 1 A 49 49 ARG CB C 49 30.000 30.304 -0.304 1
1 538 . 3 1 1 A 49 49 ARG N N 49 117.500 120.725 -3.225 1
1 539 . 3 1 1 A 50 50 PHE H H 50 7.270 7.461 -0.191 1
1 540 . 3 1 1 A 50 50 PHE HA H 50 4.620 4.480 0.140 1
1 548 . 3 1 1 A 50 50 PHE CA C 50 57.700 58.960 -1.260 1
1 549 . 3 1 1 A 50 50 PHE CB C 50 39.600 39.081 0.519 1
1 553 . 3 1 1 A 50 50 PHE N N 50 115.500 116.069 -0.569 1
1 554 . 3 1 1 A 51 51 ALA H H 51 7.620 7.441 0.179 1
1 555 . 3 1 1 A 51 51 ALA HA H 51 4.320 4.677 -0.357 1
1 559 . 3 1 1 A 51 51 ALA CA C 51 51.700 50.997 0.703 1
1 560 . 3 1 1 A 51 51 ALA CB C 51 19.300 21.926 -2.626 1
1 561 . 3 1 1 A 51 51 ALA N N 51 124.200 120.958 3.242 1
1 562 . 3 1 1 A 52 52 ARG H H 52 8.570 8.338 0.232 1
1 563 . 3 1 1 A 52 52 ARG HA H 52 4.270 4.728 -0.458 1
1 570 . 3 1 1 A 52 52 ARG CA C 52 54.700 54.127 0.573 1
1 571 . 3 1 1 A 52 52 ARG CB C 52 29.300 29.369 -0.069 1
1 574 . 3 1 1 A 52 52 ARG N N 52 123.500 118.848 4.652 1
1 575 . 3 1 1 A 53 53 PRO HA H 53 4.240 4.215 0.025 1
1 582 . 3 1 1 A 53 53 PRO CA C 53 63.600 62.797 0.803 1
1 583 . 3 1 1 A 53 53 PRO CB C 53 31.600 31.860 -0.260 1
1 586 . 3 1 1 A 54 54 SER H H 54 8.100 7.883 0.217 1
1 587 . 3 1 1 A 54 54 SER HA H 54 4.390 4.626 -0.236 1
1 590 . 3 1 1 A 54 54 SER CA C 54 57.200 57.413 -0.213 1
1 591 . 3 1 1 A 54 54 SER CB C 54 63.100 64.477 -1.377 1
1 592 . 3 1 1 A 54 54 SER N N 54 117.200 117.315 -0.115 1
1 593 . 3 1 1 A 55 55 TYR H H 55 6.640 7.325 -0.685 1
1 594 . 3 1 1 A 55 55 TYR HA H 55 5.030 5.357 -0.327 1
1 601 . 3 1 1 A 55 55 TYR CA C 55 53.900 57.010 -3.110 1
1 602 . 3 1 1 A 55 55 TYR CB C 55 39.200 38.417 0.783 1
1 605 . 3 1 1 A 55 55 TYR N N 55 119.200 121.730 -2.530 1
1 606 . 3 1 1 A 56 56 GLU H H 56 8.890 8.970 -0.080 1
1 607 . 3 1 1 A 56 56 GLU HA H 56 4.740 5.062 -0.322 1
1 612 . 3 1 1 A 56 56 GLU CA C 56 55.700 54.942 0.758 1
1 613 . 3 1 1 A 56 56 GLU CB C 56 35.000 33.551 1.449 1
1 615 . 3 1 1 A 56 56 GLU N N 56 118.800 126.195 -7.395 1
1 616 . 3 1 1 A 57 57 VAL H H 57 8.830 8.775 0.055 1
1 617 . 3 1 1 A 57 57 VAL HA H 57 5.370 4.944 0.426 1
1 625 . 3 1 1 A 57 57 VAL CA C 57 59.900 61.372 -1.472 1
1 626 . 3 1 1 A 57 57 VAL CB C 57 33.300 33.689 -0.389 1
1 629 . 3 1 1 A 57 57 VAL N N 57 117.800 125.695 -7.895 1
1 630 . 3 1 1 A 58 58 PHE H H 58 8.870 8.346 0.524 1
1 631 . 3 1 1 A 58 58 PHE HA H 58 6.090 6.263 -0.173 1
1 634 . 3 1 1 A 58 58 PHE CA C 58 55.600 55.828 -0.228 1
1 635 . 3 1 1 A 58 58 PHE CB C 58 42.700 42.430 0.270 1
1 636 . 3 1 1 A 58 58 PHE N N 58 120.600 123.057 -2.457 1
1 637 . 3 1 1 A 59 59 VAL H H 59 8.270 8.425 -0.155 1
1 638 . 3 1 1 A 59 59 VAL HA H 59 4.730 4.725 0.005 1
1 646 . 3 1 1 A 59 59 VAL CA C 59 58.500 60.500 -2.000 1
1 647 . 3 1 1 A 59 59 VAL CB C 59 34.800 36.040 -1.240 1
1 650 . 3 1 1 A 59 59 VAL N N 59 108.700 120.889 -12.189 1
1 651 . 3 1 1 A 60 60 ASP H H 60 9.360 8.950 0.410 1
1 652 . 3 1 1 A 60 60 ASP HA H 60 5.080 4.827 0.253 1
1 655 . 3 1 1 A 60 60 ASP CA C 60 52.700 53.369 -0.669 1
1 656 . 3 1 1 A 60 60 ASP CB C 60 41.100 41.582 -0.482 1
1 657 . 3 1 1 A 60 60 ASP N N 60 123.000 126.314 -3.314 1
1 658 . 3 1 1 A 61 61 LEU H H 61 9.230 8.870 0.360 1
1 659 . 3 1 1 A 61 61 LEU HA H 61 4.670 4.759 -0.089 1
1 669 . 3 1 1 A 61 61 LEU CA C 61 53.300 54.038 -0.738 1
1 670 . 3 1 1 A 61 61 LEU CB C 61 40.900 42.878 -1.978 1
1 674 . 3 1 1 A 61 61 LEU N N 61 128.600 127.757 0.843 1
1 675 . 3 1 1 A 62 62 THR H H 62 8.720 7.992 0.728 1
1 676 . 3 1 1 A 62 62 THR HA H 62 3.590 4.074 -0.484 1
1 681 . 3 1 1 A 62 62 THR CA C 62 67.000 65.062 1.938 1
1 682 . 3 1 1 A 62 62 THR CB C 62 69.100 68.792 0.308 1
1 684 . 3 1 1 A 62 62 THR N N 62 115.800 113.911 1.889 1
1 685 . 3 1 1 A 63 63 GLU H H 63 8.490 7.881 0.609 1
1 686 . 3 1 1 A 63 63 GLU HA H 63 4.530 4.162 0.368 1
1 691 . 3 1 1 A 63 63 GLU CA C 63 55.100 59.054 -3.954 1
1 692 . 3 1 1 A 63 63 GLU CB C 63 29.200 29.790 -0.590 1
1 694 . 3 1 1 A 63 63 GLU N N 63 118.800 119.988 -1.188 1
1 695 . 3 1 1 A 64 64 ALA H H 64 7.100 7.571 -0.471 1
1 696 . 3 1 1 A 64 64 ALA HA H 64 4.130 4.311 -0.181 1
1 700 . 3 1 1 A 64 64 ALA CA C 64 51.500 50.761 0.739 1
1 701 . 3 1 1 A 64 64 ALA CB C 64 20.900 19.021 1.879 1
1 702 . 3 1 1 A 64 64 ALA N N 64 123.700 122.293 1.407 1
1 703 . 3 1 1 A 65 65 GLY H H 65 7.800 8.326 -0.526 1
1 704 . 3 1 1 A 65 65 GLY HA2 H 65 4.180 3.116 1.064 1
1 705 . 3 1 1 A 65 65 GLY HA3 H 65 3.540 3.563 -0.023 1
1 706 . 3 1 1 A 65 65 GLY CA C 65 42.600 45.916 -3.316 1
1 707 . 3 1 1 A 65 65 GLY N N 65 106.800 111.313 -4.513 1
1 708 . 3 1 1 A 66 66 GLU H H 66 8.490 7.681 0.809 1
1 709 . 3 1 1 A 66 66 GLU HA H 66 3.750 4.948 -1.198 1
1 714 . 3 1 1 A 66 66 GLU CA C 66 57.400 56.248 1.152 1
1 715 . 3 1 1 A 66 66 GLU CB C 66 30.300 31.001 -0.701 1
1 717 . 3 1 1 A 66 66 GLU N N 66 119.900 117.331 2.569 1
1 718 . 3 1 1 A 67 67 GLY H H 67 8.470 8.583 -0.113 1
1 719 . 3 1 1 A 67 67 GLY HA2 H 67 3.770 4.034 -0.264 1
1 720 . 3 1 1 A 67 67 GLY HA3 H 67 4.390 4.060 0.330 1
1 721 . 3 1 1 A 67 67 GLY CA C 67 43.400 44.721 -1.321 1
1 722 . 3 1 1 A 67 67 GLY N N 67 110.800 109.907 0.893 1
1 723 . 3 1 1 A 68 68 SER H H 68 8.250 8.331 -0.081 1
1 724 . 3 1 1 A 68 68 SER HA H 68 4.610 4.756 -0.146 1
1 727 . 3 1 1 A 68 68 SER CA C 68 57.700 57.837 -0.137 1
1 728 . 3 1 1 A 68 68 SER CB C 68 63.300 63.747 -0.447 1
1 729 . 3 1 1 A 68 68 SER N N 68 114.500 115.013 -0.513 1
1 730 . 3 1 1 A 69 69 HIS H H 69 8.780 8.426 0.354 1
1 731 . 3 1 1 A 69 69 HIS HA H 69 4.790 5.741 -0.951 1
1 734 . 3 1 1 A 69 69 HIS CA C 69 55.300 53.608 1.692 1
1 735 . 3 1 1 A 69 69 HIS CB C 69 33.900 32.909 0.991 1
1 736 . 3 1 1 A 69 69 HIS N N 69 125.400 120.432 4.968 1
1 737 . 3 1 1 A 70 70 THR H H 70 8.870 8.841 0.029 1
1 738 . 3 1 1 A 70 70 THR HA H 70 5.380 5.366 0.014 1
1 743 . 3 1 1 A 70 70 THR CA C 70 61.600 61.943 -0.343 1
1 744 . 3 1 1 A 70 70 THR CB C 70 69.400 69.916 -0.516 1
1 746 . 3 1 1 A 70 70 THR N N 70 121.200 119.012 2.188 1
1 747 . 3 1 1 A 71 71 VAL H H 71 8.860 8.894 -0.034 1
1 748 . 3 1 1 A 71 71 VAL HA H 71 4.730 4.960 -0.230 1
1 756 . 3 1 1 A 71 71 VAL CA C 71 58.900 58.751 0.149 1
1 757 . 3 1 1 A 71 71 VAL CB C 71 36.000 35.839 0.161 1
1 760 . 3 1 1 A 71 71 VAL N N 71 122.100 120.271 1.829 1
1 761 . 3 1 1 A 72 72 ASP H H 72 8.610 8.501 0.109 1
1 762 . 3 1 1 A 72 72 ASP HA H 72 4.660 4.742 -0.082 1
1 765 . 3 1 1 A 72 72 ASP CA C 72 55.500 54.923 0.577 1
1 766 . 3 1 1 A 72 72 ASP CB C 72 40.800 41.230 -0.430 1
1 767 . 3 1 1 A 72 72 ASP N N 72 124.300 121.135 3.165 1
1 768 . 3 1 1 A 73 73 VAL H H 73 8.090 8.652 -0.562 1
1 769 . 3 1 1 A 73 73 VAL HA H 73 3.770 4.376 -0.606 1
1 777 . 3 1 1 A 73 73 VAL CA C 73 63.600 61.822 1.778 1
1 778 . 3 1 1 A 73 73 VAL CB C 73 31.600 32.643 -1.043 1
1 781 . 3 1 1 A 73 73 VAL N N 73 121.400 122.535 -1.135 1
1 782 . 3 1 1 A 74 74 GLU H H 74 8.900 8.622 0.278 1
1 783 . 3 1 1 A 74 74 GLU HA H 74 4.370 4.941 -0.571 1
1 788 . 3 1 1 A 74 74 GLU CA C 74 54.700 54.891 -0.191 1
1 789 . 3 1 1 A 74 74 GLU CB C 74 33.300 32.116 1.184 1
1 791 . 3 1 1 A 74 74 GLU N N 74 129.600 125.702 3.898 1
1 792 . 3 1 1 A 75 75 HIS H H 75 7.940 8.297 -0.357 1
1 793 . 3 1 1 A 75 75 HIS HA H 75 5.830 5.307 0.523 1
1 796 . 3 1 1 A 75 75 HIS CA C 75 54.100 53.481 0.619 1
1 797 . 3 1 1 A 75 75 HIS CB C 75 39.500 33.306 6.194 1
1 798 . 3 1 1 A 75 75 HIS N N 75 112.800 116.309 -3.509 1
1 799 . 3 1 1 A 76 76 ARG H H 76 9.210 9.363 -0.153 1
1 800 . 3 1 1 A 76 76 ARG HA H 76 5.170 5.179 -0.009 1
1 805 . 3 1 1 A 76 76 ARG CA C 76 55.300 54.599 0.701 1
1 806 . 3 1 1 A 76 76 ARG CB C 76 33.400 34.286 -0.886 1
1 808 . 3 1 1 A 76 76 ARG N N 76 117.100 120.589 -3.489 1
1 809 . 3 1 1 A 77 77 GLY H H 77 8.740 8.195 0.545 1
1 810 . 3 1 1 A 77 77 GLY HA2 H 77 4.410 4.053 0.357 1
1 811 . 3 1 1 A 77 77 GLY HA3 H 77 3.670 4.154 -0.484 1
1 812 . 3 1 1 A 77 77 GLY CA C 77 45.400 45.766 -0.366 1
1 813 . 3 1 1 A 77 77 GLY N N 77 107.400 112.839 -5.439 1
1 814 . 3 1 1 A 78 78 PHE H H 78 7.920 7.777 0.143 1
1 815 . 3 1 1 A 78 78 PHE HA H 78 4.450 4.692 -0.242 1
1 823 . 3 1 1 A 78 78 PHE CA C 78 54.200 55.545 -1.345 1
1 824 . 3 1 1 A 78 78 PHE CB C 78 41.000 39.470 1.530 1
1 828 . 3 1 1 A 78 78 PHE N N 78 120.200 121.685 -1.485 1
1 829 . 3 1 1 A 79 79 PRO HA H 79 4.470 4.671 -0.201 1
1 836 . 3 1 1 A 79 79 PRO CA C 79 63.300 62.367 0.933 1
1 837 . 3 1 1 A 79 79 PRO CB C 79 32.200 32.557 -0.357 1
1 840 . 3 1 1 A 80 80 GLY H H 80 8.820 8.657 0.163 1
1 841 . 3 1 1 A 80 80 GLY HA2 H 80 4.020 3.961 0.059 1
1 842 . 3 1 1 A 80 80 GLY HA3 H 80 3.890 4.032 -0.142 1
1 843 . 3 1 1 A 80 80 GLY CA C 80 46.600 46.574 0.026 1
1 844 . 3 1 1 A 80 80 GLY N N 80 110.100 108.822 1.278 1
1 845 . 3 1 1 A 81 81 ASP H H 81 8.360 7.914 0.446 1
1 846 . 3 1 1 A 81 81 ASP HA H 81 4.560 4.611 -0.051 1
1 849 . 3 1 1 A 81 81 ASP CA C 81 53.800 55.863 -2.063 1
1 850 . 3 1 1 A 81 81 ASP CB C 81 40.300 41.973 -1.673 1
1 851 . 3 1 1 A 81 81 ASP N N 81 114.800 119.866 -5.066 1
1 852 . 3 1 1 A 82 82 LEU H H 82 7.400 7.503 -0.103 1
1 853 . 3 1 1 A 82 82 LEU HA H 82 4.720 4.393 0.327 1
1 863 . 3 1 1 A 82 82 LEU CA C 82 52.800 54.659 -1.859 1
1 864 . 3 1 1 A 82 82 LEU CB C 82 42.900 42.178 0.722 1
1 868 . 3 1 1 A 82 82 LEU N N 82 115.500 120.507 -5.007 1
1 869 . 3 1 1 A 83 83 ALA H H 83 8.930 8.797 0.133 1
1 870 . 3 1 1 A 83 83 ALA HA H 83 4.530 4.546 -0.016 1
1 874 . 3 1 1 A 83 83 ALA CA C 83 50.900 51.396 -0.496 1
1 875 . 3 1 1 A 83 83 ALA CB C 83 19.600 19.062 0.538 1
1 876 . 3 1 1 A 83 83 ALA N N 83 124.900 123.520 1.380 1
1 877 . 3 1 1 A 84 84 VAL H H 84 8.570 8.874 -0.304 1
1 878 . 3 1 1 A 84 84 VAL HA H 84 3.930 4.496 -0.566 1
1 886 . 3 1 1 A 84 84 VAL CA C 84 61.300 61.855 -0.555 1
1 887 . 3 1 1 A 84 84 VAL CB C 84 32.800 32.344 0.456 1
1 890 . 3 1 1 A 84 84 VAL N N 84 126.800 124.326 2.474 1
1 891 . 3 1 1 A 85 85 THR H H 85 9.000 9.161 -0.161 1
1 892 . 3 1 1 A 85 85 THR HA H 85 4.440 4.902 -0.462 1
1 897 . 3 1 1 A 85 85 THR CA C 85 61.900 61.914 -0.014 1
1 898 . 3 1 1 A 85 85 THR CB C 85 70.100 70.074 0.026 1
1 900 . 3 1 1 A 85 85 THR N N 85 125.500 123.323 2.177 1
1 901 . 3 1 1 A 86 86 VAL H H 86 8.280 9.110 -0.830 1
1 902 . 3 1 1 A 86 86 VAL HA H 86 5.010 5.193 -0.183 1
1 910 . 3 1 1 A 86 86 VAL CA C 86 59.300 60.382 -1.082 1
1 911 . 3 1 1 A 86 86 VAL CB C 86 33.700 34.512 -0.812 1
1 914 . 3 1 1 A 86 86 VAL N N 86 123.200 124.355 -1.155 1
1 915 . 3 1 1 A 87 87 GLU H H 87 8.560 8.845 -0.285 1
1 916 . 3 1 1 A 87 87 GLU HA H 87 4.720 4.836 -0.116 1
1 921 . 3 1 1 A 87 87 GLU CA C 87 52.400 53.696 -1.296 1
1 922 . 3 1 1 A 87 87 GLU CB C 87 33.600 31.117 2.483 1
1 924 . 3 1 1 A 87 87 GLU N N 87 124.400 127.023 -2.623 1
1 925 . 3 1 1 A 88 88 PRO HA H 88 4.770 4.885 -0.115 1
1 932 . 3 1 1 A 88 88 PRO CA C 88 62.800 61.793 1.007 1
1 933 . 3 1 1 A 88 88 PRO CB C 88 34.300 32.486 1.814 1
1 936 . 3 1 1 A 89 89 ARG H H 89 8.200 9.057 -0.857 1
1 937 . 3 1 1 A 89 89 ARG HA H 89 4.050 4.113 -0.063 1
1 945 . 3 1 1 A 89 89 ARG CA C 89 57.300 59.095 -1.795 1
1 946 . 3 1 1 A 89 89 ARG CB C 89 30.700 30.958 -0.258 1
1 949 . 3 1 1 A 89 89 ARG N N 89 114.400 121.916 -7.516 1
1 951 . 3 1 1 A 90 90 MET H H 90 7.750 7.746 0.004 1
1 952 . 3 1 1 A 90 90 MET HA H 90 5.060 5.077 -0.017 1
1 960 . 3 1 1 A 90 90 MET CA C 90 53.700 54.157 -0.457 1
1 961 . 3 1 1 A 90 90 MET CB C 90 34.700 36.796 -2.096 1
1 964 . 3 1 1 A 90 90 MET N N 90 115.900 117.935 -2.035 1
1 965 . 3 1 1 A 91 91 ALA H H 91 9.020 9.365 -0.345 1
1 966 . 3 1 1 A 91 91 ALA HA H 91 4.640 5.297 -0.657 1
1 970 . 3 1 1 A 91 91 ALA CA C 91 49.300 50.068 -0.768 1
1 971 . 3 1 1 A 91 91 ALA CB C 91 23.600 22.410 1.190 1
1 972 . 3 1 1 A 91 91 ALA N N 91 123.200 123.799 -0.599 1
1 973 . 3 1 1 A 92 92 ARG H H 92 8.370 8.807 -0.437 1
1 974 . 3 1 1 A 92 92 ARG HA H 92 5.480 5.232 0.248 1
1 982 . 3 1 1 A 92 92 ARG CA C 92 54.000 54.882 -0.882 1
1 983 . 3 1 1 A 92 92 ARG CB C 92 32.600 32.455 0.145 1
1 986 . 3 1 1 A 92 92 ARG N N 92 119.600 120.134 -0.534 1
1 988 . 3 1 1 A 93 93 VAL H H 93 8.920 8.402 0.518 1
1 989 . 3 1 1 A 93 93 VAL HA H 93 4.510 4.737 -0.227 1
1 997 . 3 1 1 A 93 93 VAL CA C 93 61.000 59.476 1.524 1
1 998 . 3 1 1 A 93 93 VAL CB C 93 36.900 35.690 1.210 1
1 1001 . 3 1 1 A 93 93 VAL N N 93 124.100 120.198 3.902 1
1 1002 . 3 1 1 A 94 94 GLN H H 94 8.930 9.356 -0.426 1
1 1003 . 3 1 1 A 94 94 GLN HA H 94 5.400 4.884 0.516 1
1 1010 . 3 1 1 A 94 94 GLN CA C 94 53.500 53.965 -0.465 1
1 1011 . 3 1 1 A 94 94 GLN CB C 94 30.300 31.909 -1.609 1
1 1013 . 3 1 1 A 94 94 GLN N N 94 127.900 128.095 -0.195 1
1 1015 . 3 1 1 A 95 95 LEU H H 95 8.870 8.664 0.206 1
1 1016 . 3 1 1 A 95 95 LEU HA H 95 5.390 5.191 0.199 1
1 1026 . 3 1 1 A 95 95 LEU CA C 95 53.000 53.373 -0.373 1
1 1027 . 3 1 1 A 95 95 LEU CB C 95 44.800 43.197 1.603 1
1 1031 . 3 1 1 A 95 95 LEU N N 95 126.400 128.117 -1.717 1
1 1032 . 3 1 1 A 96 96 GLU H H 96 9.300 8.875 0.425 1
1 1033 . 3 1 1 A 96 96 GLU HA H 96 5.000 5.178 -0.178 1
1 1038 . 3 1 1 A 96 96 GLU CA C 96 54.300 54.520 -0.220 1
1 1039 . 3 1 1 A 96 96 GLU CB C 96 33.800 33.394 0.406 1
1 1041 . 3 1 1 A 96 96 GLU N N 96 122.700 125.454 -2.754 1
1 1042 . 3 1 1 A 97 97 GLU H H 97 9.730 8.804 0.926 1
1 1043 . 3 1 1 A 97 97 GLU HA H 97 4.360 4.490 -0.130 1
1 1048 . 3 1 1 A 97 97 GLU CA C 97 57.600 57.283 0.317 1
1 1049 . 3 1 1 A 97 97 GLU CB C 97 30.000 29.705 0.295 1
1 1051 . 3 1 1 A 97 97 GLU N N 97 126.200 127.684 -1.484 1
1 1052 . 3 1 1 A 98 98 ARG H H 98 8.300 9.218 -0.918 1
1 1053 . 3 1 1 A 98 98 ARG HA H 98 4.180 4.121 0.059 1
1 1061 . 3 1 1 A 98 98 ARG CA C 98 56.800 56.922 -0.122 1
1 1062 . 3 1 1 A 98 98 ARG CB C 98 30.700 29.313 1.387 1
1 1065 . 3 1 1 A 98 98 ARG N N 98 126.500 126.763 -0.263 1
1 1067 . 3 1 1 A 99 99 GLN H H 99 8.810 8.735 0.075 1
1 1068 . 3 1 1 A 99 99 GLN HA H 99 4.370 4.584 -0.214 1
1 1075 . 3 1 1 A 99 99 GLN CA C 99 55.600 55.498 0.102 1
1 1076 . 3 1 1 A 99 99 GLN CB C 99 29.500 28.840 0.660 1
1 1078 . 3 1 1 A 99 99 GLN N N 99 123.700 124.836 -1.136 1
1 1080 . 3 1 1 A 100 100 THR H H 100 8.340 8.792 -0.452 1
1 1081 . 3 1 1 A 100 100 THR HA H 100 4.330 4.451 -0.121 1
1 1086 . 3 1 1 A 100 100 THR CA C 100 61.700 63.094 -1.394 1
1 1087 . 3 1 1 A 100 100 THR CB C 100 69.800 69.371 0.429 1
1 1089 . 3 1 1 A 100 100 THR N N 100 116.700 122.248 -5.548 1
1 1090 . 3 1 1 A 101 101 VAL H H 101 8.290 7.341 0.949 1
1 1091 . 3 1 1 A 101 101 VAL HA H 101 4.170 4.718 -0.548 1
1 1099 . 3 1 1 A 101 101 VAL CA C 101 61.900 59.632 2.268 1
1 1100 . 3 1 1 A 101 101 VAL CB C 101 32.800 34.158 -1.358 1
1 1103 . 3 1 1 A 101 101 VAL N N 101 122.900 115.971 6.929 1
1 1104 . 3 1 1 A 102 102 SER H H 102 8.490 8.824 -0.334 1
1 1105 . 3 1 1 A 102 102 SER HA H 102 4.470 5.247 -0.777 1
1 1108 . 3 1 1 A 102 102 SER CA C 102 58.000 57.682 0.318 1
1 1109 . 3 1 1 A 102 102 SER CB C 102 63.600 65.413 -1.813 1
1 1110 . 3 1 1 A 102 102 SER N N 102 120.700 118.557 2.143 1
1 1111 . 3 1 1 A 103 103 VAL H H 103 8.240 8.932 -0.692 1
1 1112 . 3 1 1 A 103 103 VAL HA H 103 4.420 4.538 -0.118 1
1 1120 . 3 1 1 A 103 103 VAL CA C 103 59.700 59.461 0.239 1
1 1121 . 3 1 1 A 103 103 VAL CB C 103 32.700 32.218 0.482 1
1 1124 . 3 1 1 A 103 103 VAL N N 103 123.900 126.805 -2.905 1
1 1125 . 3 1 1 A 104 104 PRO HA H 104 4.420 4.856 -0.436 1
1 1132 . 3 1 1 A 104 104 PRO CA C 104 63.000 62.240 0.760 1
1 1133 . 3 1 1 A 104 104 PRO CB C 104 32.000 31.632 0.368 1
1 1136 . 3 1 1 A 105 105 VAL H H 105 8.340 8.344 -0.004 1
1 1137 . 3 1 1 A 105 105 VAL HA H 105 4.130 4.248 -0.118 1
1 1145 . 3 1 1 A 105 105 VAL CA C 105 62.200 61.532 0.668 1
1 1146 . 3 1 1 A 105 105 VAL CB C 105 32.600 32.316 0.284 1
1 1149 . 3 1 1 A 105 105 VAL N N 105 121.000 118.151 2.849 1
1 1150 . 3 1 1 A 106 106 THR H H 106 8.210 8.807 -0.597 1
1 1151 . 3 1 1 A 106 106 THR HA H 106 4.380 4.701 -0.321 1
1 1156 . 3 1 1 A 106 106 THR CA C 106 61.400 61.490 -0.090 1
1 1157 . 3 1 1 A 106 106 THR CB C 106 70.000 72.194 -2.194 1
1 1159 . 3 1 1 A 106 106 THR N N 106 118.700 119.313 -0.613 1
1 1160 . 3 1 1 A 107 107 VAL H H 107 8.280 9.062 -0.782 1
1 1161 . 3 1 1 A 107 107 VAL HA H 107 4.050 4.897 -0.847 1
1 1169 . 3 1 1 A 107 107 VAL CA C 107 62.600 59.561 3.039 1
1 1170 . 3 1 1 A 107 107 VAL CB C 107 32.600 34.312 -1.712 1
1 1173 . 3 1 1 A 107 107 VAL N N 107 122.700 127.247 -4.547 1
1 1174 . 3 1 1 A 108 108 GLU H H 108 8.500 8.881 -0.381 1
1 1175 . 3 1 1 A 108 108 GLU HA H 108 4.230 4.377 -0.147 1
1 1180 . 3 1 1 A 108 108 GLU CA C 108 56.600 56.257 0.343 1
1 1181 . 3 1 1 A 108 108 GLU CB C 108 30.000 30.433 -0.433 1
1 1183 . 3 1 1 A 108 108 GLU N N 108 124.100 128.357 -4.257 1
1 1184 . 3 1 1 A 109 109 MET H H 109 8.570 8.978 -0.408 1
1 1185 . 3 1 1 A 109 109 MET HA H 109 4.460 4.263 0.197 1
1 1188 . 3 1 1 A 109 109 MET CA C 109 55.300 58.227 -2.927 1
1 1189 . 3 1 1 A 109 109 MET CB C 109 26.800 32.413 -5.613 1
1 1190 . 3 1 1 A 109 109 MET N N 109 121.300 123.920 -2.620 1
1 1191 . 3 1 1 A 110 110 ILE H H 110 8.280 7.947 0.333 1
1 1192 . 3 1 1 A 110 110 ILE HA H 110 4.080 3.608 0.472 1
1 1202 . 3 1 1 A 110 110 ILE CA C 110 61.400 62.099 -0.699 1
1 1203 . 3 1 1 A 110 110 ILE CB C 110 38.700 36.204 2.496 1
1 1207 . 3 1 1 A 110 110 ILE N N 110 122.600 118.311 4.289 1
1 1208 . 3 1 1 A 111 111 ASN H H 111 8.590 8.067 0.523 1
1 1209 . 3 1 1 A 111 111 ASN HA H 111 4.690 4.780 -0.090 1
1 1214 . 3 1 1 A 111 111 ASN CA C 111 53.000 51.835 1.165 1
1 1215 . 3 1 1 A 111 111 ASN CB C 111 38.600 37.206 1.394 1
1 1216 . 3 1 1 A 111 111 ASN N N 111 122.800 120.276 2.524 1
1 1218 . 3 1 1 A 112 112 LEU H H 112 8.340 8.156 0.184 1
1 1219 . 3 1 1 A 112 112 LEU HA H 112 4.240 4.491 -0.251 1
1 1229 . 3 1 1 A 112 112 LEU CA C 112 55.400 54.133 1.267 1
1 1230 . 3 1 1 A 112 112 LEU CB C 112 42.100 40.133 1.967 1
1 1 . 4 1 1 A 3 3 THR HA H 3 4.250 4.389 -0.139 1
1 6 . 4 1 1 A 3 3 THR CA C 3 62.000 61.594 0.406 1
1 7 . 4 1 1 A 3 3 THR CB C 3 69.700 68.318 1.382 1
1 9 . 4 1 1 A 4 4 PHE H H 4 8.440 7.946 0.494 1
1 10 . 4 1 1 A 4 4 PHE HA H 4 4.650 4.714 -0.064 1
1 17 . 4 1 1 A 4 4 PHE CA C 4 57.700 58.756 -1.056 1
1 18 . 4 1 1 A 4 4 PHE CB C 4 39.400 40.433 -1.033 1
1 21 . 4 1 1 A 4 4 PHE N N 4 122.400 121.071 1.329 1
1 22 . 4 1 1 A 5 5 ASP H H 5 8.500 8.911 -0.411 1
1 23 . 4 1 1 A 5 5 ASP HA H 5 4.600 4.943 -0.343 1
1 26 . 4 1 1 A 5 5 ASP CA C 5 53.900 52.671 1.229 1
1 27 . 4 1 1 A 5 5 ASP CB C 5 40.700 41.965 -1.265 1
1 28 . 4 1 1 A 5 5 ASP N N 5 121.800 122.517 -0.717 1
1 29 . 4 1 1 A 6 6 HIS H H 6 8.240 8.625 -0.385 1
1 30 . 4 1 1 A 6 6 HIS HA H 6 4.780 4.409 0.371 1
1 34 . 4 1 1 A 6 6 HIS CA C 6 55.300 58.048 -2.748 1
1 35 . 4 1 1 A 6 6 HIS CB C 6 31.500 28.567 2.933 1
1 37 . 4 1 1 A 6 6 HIS N N 6 120.400 125.627 -5.227 1
1 38 . 4 1 1 A 7 7 GLY H H 7 8.660 9.084 -0.424 1
1 39 . 4 1 1 A 7 7 GLY HA2 H 7 4.500 4.260 0.240 1
1 40 . 4 1 1 A 7 7 GLY HA3 H 7 3.580 4.291 -0.711 1
1 41 . 4 1 1 A 7 7 GLY CA C 7 44.200 45.452 -1.252 1
1 42 . 4 1 1 A 7 7 GLY N N 7 109.200 107.786 1.414 1
1 43 . 4 1 1 A 8 8 ASN H H 8 8.040 8.821 -0.781 1
1 44 . 4 1 1 A 8 8 ASN HA H 8 5.500 5.830 -0.330 1
1 49 . 4 1 1 A 8 8 ASN CA C 8 52.600 51.798 0.802 1
1 50 . 4 1 1 A 8 8 ASN CB C 8 42.700 42.833 -0.133 1
1 51 . 4 1 1 A 8 8 ASN N N 8 115.100 116.747 -1.647 1
1 53 . 4 1 1 A 9 9 LEU H H 9 8.850 9.179 -0.329 1
1 54 . 4 1 1 A 9 9 LEU HA H 9 4.530 5.070 -0.540 1
1 64 . 4 1 1 A 9 9 LEU CA C 9 54.700 53.734 0.966 1
1 65 . 4 1 1 A 9 9 LEU CB C 9 47.000 46.190 0.810 1
1 69 . 4 1 1 A 9 9 LEU N N 9 123.500 123.081 0.419 1
1 70 . 4 1 1 A 10 10 SER H H 10 8.850 8.558 0.292 1
1 71 . 4 1 1 A 10 10 SER HA H 10 5.030 5.159 -0.129 1
1 74 . 4 1 1 A 10 10 SER CA C 10 57.000 56.495 0.505 1
1 75 . 4 1 1 A 10 10 SER CB C 10 63.900 64.240 -0.340 1
1 76 . 4 1 1 A 10 10 SER N N 10 121.800 117.232 4.568 1
1 77 . 4 1 1 A 11 11 LEU H H 11 8.820 8.875 -0.055 1
1 78 . 4 1 1 A 11 11 LEU HA H 11 4.460 4.342 0.118 1
1 88 . 4 1 1 A 11 11 LEU CA C 11 54.400 56.227 -1.827 1
1 89 . 4 1 1 A 11 11 LEU CB C 11 41.900 42.927 -1.027 1
1 93 . 4 1 1 A 11 11 LEU N N 11 127.300 125.811 1.489 1
1 94 . 4 1 1 A 12 12 GLY H H 12 8.140 7.541 0.599 1
1 95 . 4 1 1 A 12 12 GLY HA2 H 12 3.720 4.035 -0.315 1
1 96 . 4 1 1 A 12 12 GLY HA3 H 12 4.080 4.057 0.023 1
1 97 . 4 1 1 A 12 12 GLY CA C 12 44.700 44.041 0.659 1
1 98 . 4 1 1 A 12 12 GLY N N 12 108.000 106.061 1.939 1
1 99 . 4 1 1 A 13 13 GLU H H 13 8.210 8.376 -0.166 1
1 100 . 4 1 1 A 13 13 GLU HA H 13 4.560 5.398 -0.838 1
1 105 . 4 1 1 A 13 13 GLU CA C 13 55.700 55.657 0.043 1
1 106 . 4 1 1 A 13 13 GLU CB C 13 30.300 30.050 0.250 1
1 108 . 4 1 1 A 13 13 GLU N N 13 119.000 120.663 -1.663 1
1 109 . 4 1 1 A 14 14 LEU H H 14 9.360 9.463 -0.103 1
1 110 . 4 1 1 A 14 14 LEU HA H 14 4.720 4.938 -0.218 1
1 120 . 4 1 1 A 14 14 LEU CA C 14 53.400 53.775 -0.375 1
1 121 . 4 1 1 A 14 14 LEU CB C 14 44.200 43.625 0.575 1
1 125 . 4 1 1 A 14 14 LEU N N 14 126.700 126.773 -0.073 1
1 126 . 4 1 1 A 15 15 GLU H H 15 8.680 8.533 0.147 1
1 127 . 4 1 1 A 15 15 GLU HA H 15 4.240 4.578 -0.338 1
1 132 . 4 1 1 A 15 15 GLU CA C 15 56.900 56.576 0.324 1
1 133 . 4 1 1 A 15 15 GLU CB C 15 29.900 30.116 -0.216 1
1 135 . 4 1 1 A 15 15 GLU N N 15 120.600 122.263 -1.663 1
1 136 . 4 1 1 A 16 16 LEU H H 16 7.740 8.615 -0.875 1
1 137 . 4 1 1 A 16 16 LEU HA H 16 4.360 4.893 -0.533 1
1 147 . 4 1 1 A 16 16 LEU CA C 16 54.000 54.291 -0.291 1
1 148 . 4 1 1 A 16 16 LEU CB C 16 43.300 43.213 0.087 1
1 152 . 4 1 1 A 16 16 LEU N N 16 125.200 127.978 -2.778 1
1 153 . 4 1 1 A 17 17 THR H H 17 8.500 9.327 -0.827 1
1 154 . 4 1 1 A 17 17 THR HA H 17 4.420 4.960 -0.540 1
1 159 . 4 1 1 A 17 17 THR CA C 17 63.100 61.888 1.212 1
1 160 . 4 1 1 A 17 17 THR CB C 17 69.600 70.404 -0.804 1
1 162 . 4 1 1 A 17 17 THR N N 17 127.300 124.602 2.698 1
1 163 . 4 1 1 A 18 18 VAL H H 18 8.840 9.172 -0.332 1
1 164 . 4 1 1 A 18 18 VAL HA H 18 4.490 4.795 -0.305 1
1 172 . 4 1 1 A 18 18 VAL CA C 18 61.100 61.172 -0.072 1
1 173 . 4 1 1 A 18 18 VAL CB C 18 33.300 33.397 -0.097 1
1 176 . 4 1 1 A 18 18 VAL N N 18 127.000 127.560 -0.560 1
1 177 . 4 1 1 A 19 19 LEU H H 19 8.830 9.130 -0.300 1
1 178 . 4 1 1 A 19 19 LEU HA H 19 4.920 4.933 -0.013 1
1 188 . 4 1 1 A 19 19 LEU CA C 19 53.400 53.927 -0.527 1
1 189 . 4 1 1 A 19 19 LEU CB C 19 41.200 43.177 -1.977 1
1 193 . 4 1 1 A 19 19 LEU N N 19 128.500 130.296 -1.796 1
1 194 . 4 1 1 A 20 20 TYR H H 20 8.470 8.636 -0.166 1
1 195 . 4 1 1 A 20 20 TYR HA H 20 4.280 4.970 -0.690 1
1 202 . 4 1 1 A 20 20 TYR CA C 20 55.600 58.449 -2.849 1
1 203 . 4 1 1 A 20 20 TYR CB C 20 38.200 41.445 -3.245 1
1 206 . 4 1 1 A 20 20 TYR N N 20 120.300 125.950 -5.650 1
1 207 . 4 1 1 A 21 21 ASP H H 21 8.920 8.394 0.526 1
1 208 . 4 1 1 A 21 21 ASP HA H 21 4.640 4.925 -0.285 1
1 211 . 4 1 1 A 21 21 ASP CA C 21 53.000 53.251 -0.251 1
1 212 . 4 1 1 A 21 21 ASP CB C 21 39.300 41.906 -2.606 1
1 213 . 4 1 1 A 21 21 ASP N N 21 118.600 127.663 -9.063 1
1 214 . 4 1 1 A 22 22 GLU H H 22 7.930 8.834 -0.904 1
1 215 . 4 1 1 A 22 22 GLU HA H 22 4.250 4.239 0.011 1
1 220 . 4 1 1 A 22 22 GLU CA C 22 57.000 56.784 0.216 1
1 221 . 4 1 1 A 22 22 GLU CB C 22 29.000 28.941 0.059 1
1 223 . 4 1 1 A 22 22 GLU N N 22 126.600 123.146 3.454 1
1 224 . 4 1 1 A 23 23 GLU H H 23 8.060 8.607 -0.547 1
1 225 . 4 1 1 A 23 23 GLU HA H 23 4.130 4.052 0.078 1
1 230 . 4 1 1 A 23 23 GLU CA C 23 57.800 58.078 -0.278 1
1 231 . 4 1 1 A 23 23 GLU CB C 23 29.500 28.587 0.913 1
1 233 . 4 1 1 A 23 23 GLU N N 23 117.800 119.858 -2.058 1
1 234 . 4 1 1 A 24 24 ARG H H 24 7.070 8.166 -1.096 1
1 235 . 4 1 1 A 24 24 ARG HA H 24 4.170 4.524 -0.354 1
1 243 . 4 1 1 A 24 24 ARG CA C 24 56.500 57.494 -0.994 1
1 244 . 4 1 1 A 24 24 ARG CB C 24 33.500 33.181 0.319 1
1 247 . 4 1 1 A 24 24 ARG N N 24 116.700 118.759 -2.059 1
1 249 . 4 1 1 A 25 25 TYR H H 25 8.150 8.227 -0.077 1
1 250 . 4 1 1 A 25 25 TYR HA H 25 5.470 5.321 0.149 1
1 257 . 4 1 1 A 25 25 TYR CA C 25 56.900 56.914 -0.014 1
1 258 . 4 1 1 A 25 25 TYR CB C 25 43.100 41.614 1.486 1
1 261 . 4 1 1 A 25 25 TYR N N 25 116.800 116.187 0.613 1
1 262 . 4 1 1 A 26 26 ASP H H 26 9.120 9.299 -0.179 1
1 263 . 4 1 1 A 26 26 ASP HA H 26 5.250 5.549 -0.299 1
1 266 . 4 1 1 A 26 26 ASP CA C 26 52.400 52.439 -0.039 1
1 267 . 4 1 1 A 26 26 ASP CB C 26 44.500 44.591 -0.091 1
1 268 . 4 1 1 A 26 26 ASP N N 26 116.900 121.283 -4.383 1
1 269 . 4 1 1 A 27 27 ILE H H 27 8.640 9.036 -0.396 1
1 270 . 4 1 1 A 27 27 ILE HA H 27 4.100 4.228 -0.128 1
1 280 . 4 1 1 A 27 27 ILE CA C 27 61.400 61.500 -0.100 1
1 281 . 4 1 1 A 27 27 ILE CB C 27 38.600 37.242 1.358 1
1 285 . 4 1 1 A 27 27 ILE N N 27 121.200 124.271 -3.071 1
1 286 . 4 1 1 A 28 28 VAL H H 28 8.840 9.293 -0.453 1
1 287 . 4 1 1 A 28 28 VAL HA H 28 3.930 4.100 -0.170 1
1 295 . 4 1 1 A 28 28 VAL CA C 28 63.800 63.804 -0.004 1
1 296 . 4 1 1 A 28 28 VAL CB C 28 32.900 32.586 0.314 1
1 299 . 4 1 1 A 28 28 VAL N N 28 128.700 128.322 0.378 1
1 300 . 4 1 1 A 29 29 GLU H H 29 7.180 7.502 -0.322 1
1 301 . 4 1 1 A 29 29 GLU HA H 29 4.490 4.851 -0.361 1
1 306 . 4 1 1 A 29 29 GLU CA C 29 55.200 54.791 0.409 1
1 307 . 4 1 1 A 29 29 GLU CB C 29 32.900 33.228 -0.328 1
1 309 . 4 1 1 A 29 29 GLU N N 29 116.000 115.777 0.223 1
1 310 . 4 1 1 A 30 30 GLN H H 30 8.760 8.778 -0.018 1
1 311 . 4 1 1 A 30 30 GLN HA H 30 5.450 4.999 0.451 1
1 314 . 4 1 1 A 30 30 GLN CA C 30 54.200 54.667 -0.467 1
1 315 . 4 1 1 A 30 30 GLN CB C 30 33.100 31.739 1.361 1
1 316 . 4 1 1 A 30 30 GLN N N 30 117.200 118.109 -0.909 1
1 317 . 4 1 1 A 31 31 THR H H 31 8.200 8.768 -0.568 1
1 318 . 4 1 1 A 31 31 THR HA H 31 4.160 4.417 -0.257 1
1 323 . 4 1 1 A 31 31 THR CA C 31 64.500 62.912 1.588 1
1 324 . 4 1 1 A 31 31 THR CB C 31 70.300 69.345 0.955 1
1 326 . 4 1 1 A 31 31 THR N N 31 119.400 117.319 2.081 1
1 327 . 4 1 1 A 32 32 GLU H H 32 9.230 8.738 0.492 1
1 328 . 4 1 1 A 32 32 GLU HA H 32 4.170 4.339 -0.169 1
1 333 . 4 1 1 A 32 32 GLU CA C 32 60.000 58.736 1.264 1
1 334 . 4 1 1 A 32 32 GLU CB C 32 31.000 30.415 0.585 1
1 336 . 4 1 1 A 32 32 GLU N N 32 129.600 126.036 3.564 1
1 337 . 4 1 1 A 33 33 THR H H 33 7.510 7.949 -0.439 1
1 338 . 4 1 1 A 33 33 THR HA H 33 5.320 5.299 0.021 1
1 343 . 4 1 1 A 33 33 THR CA C 33 58.500 59.860 -1.360 1
1 344 . 4 1 1 A 33 33 THR CB C 33 73.100 71.777 1.323 1
1 346 . 4 1 1 A 33 33 THR N N 33 107.500 109.063 -1.563 1
1 347 . 4 1 1 A 34 34 VAL H H 34 8.700 9.184 -0.484 1
1 348 . 4 1 1 A 34 34 VAL HA H 34 4.670 4.898 -0.228 1
1 356 . 4 1 1 A 34 34 VAL CA C 34 59.200 58.863 0.337 1
1 357 . 4 1 1 A 34 34 VAL CB C 34 35.200 35.195 0.005 1
1 360 . 4 1 1 A 34 34 VAL N N 34 112.000 117.126 -5.126 1
1 361 . 4 1 1 A 35 35 GLN H H 35 8.930 8.816 0.114 1
1 362 . 4 1 1 A 35 35 GLN HA H 35 4.790 4.976 -0.186 1
1 369 . 4 1 1 A 35 35 GLN CA C 35 54.800 54.878 -0.078 1
1 370 . 4 1 1 A 35 35 GLN CB C 35 29.900 30.197 -0.297 1
1 372 . 4 1 1 A 35 35 GLN N N 35 123.200 123.231 -0.031 1
1 374 . 4 1 1 A 36 36 VAL H H 36 7.940 9.212 -1.272 1
1 375 . 4 1 1 A 36 36 VAL HA H 36 4.850 5.233 -0.383 1
1 383 . 4 1 1 A 36 36 VAL CA C 36 61.300 61.391 -0.091 1
1 384 . 4 1 1 A 36 36 VAL CB C 36 34.200 33.071 1.129 1
1 387 . 4 1 1 A 36 36 VAL N N 36 124.300 127.202 -2.902 1
1 388 . 4 1 1 A 37 37 ASP H H 37 8.670 9.051 -0.381 1
1 389 . 4 1 1 A 37 37 ASP HA H 37 5.240 5.318 -0.078 1
1 392 . 4 1 1 A 37 37 ASP CA C 37 53.000 52.394 0.606 1
1 393 . 4 1 1 A 37 37 ASP CB C 37 44.700 44.337 0.363 1
1 394 . 4 1 1 A 37 37 ASP N N 37 126.900 126.751 0.149 1
1 395 . 4 1 1 A 38 38 LEU H H 38 8.850 8.966 -0.116 1
1 396 . 4 1 1 A 38 38 LEU HA H 38 5.160 5.360 -0.200 1
1 406 . 4 1 1 A 38 38 LEU CA C 38 52.400 53.313 -0.913 1
1 407 . 4 1 1 A 38 38 LEU CB C 38 46.100 44.568 1.532 1
1 411 . 4 1 1 A 38 38 LEU N N 38 119.100 122.798 -3.698 1
1 412 . 4 1 1 A 39 39 GLU H H 39 8.380 8.842 -0.462 1
1 413 . 4 1 1 A 39 39 GLU HA H 39 5.210 5.116 0.094 1
1 418 . 4 1 1 A 39 39 GLU CA C 39 54.600 54.694 -0.094 1
1 419 . 4 1 1 A 39 39 GLU CB C 39 33.900 32.925 0.975 1
1 421 . 4 1 1 A 39 39 GLU N N 39 120.800 121.327 -0.527 1
1 422 . 4 1 1 A 40 40 GLY H H 40 8.110 8.079 0.031 1
1 423 . 4 1 1 A 40 40 GLY HA2 H 40 4.230 4.151 0.079 1
1 424 . 4 1 1 A 40 40 GLY HA3 H 40 3.730 4.183 -0.453 1
1 425 . 4 1 1 A 40 40 GLY CA C 40 45.000 44.422 0.578 1
1 426 . 4 1 1 A 40 40 GLY N N 40 110.000 108.443 1.557 1
1 427 . 4 1 1 A 41 41 PRO HA H 41 4.380 4.604 -0.224 1
1 434 . 4 1 1 A 41 41 PRO CA C 41 62.200 63.069 -0.869 1
1 435 . 4 1 1 A 41 41 PRO CB C 41 32.400 31.839 0.561 1
1 438 . 4 1 1 A 42 42 ARG H H 42 9.020 8.551 0.469 1
1 439 . 4 1 1 A 42 42 ARG HA H 42 3.790 3.951 -0.161 1
1 446 . 4 1 1 A 42 42 ARG CA C 42 60.400 58.845 1.555 1
1 447 . 4 1 1 A 42 42 ARG CB C 42 29.900 29.767 0.133 1
1 450 . 4 1 1 A 42 42 ARG N N 42 125.500 123.895 1.605 1
1 451 . 4 1 1 A 43 43 GLY H H 43 9.310 8.395 0.915 1
1 452 . 4 1 1 A 43 43 GLY HA2 H 43 3.890 3.676 0.214 1
1 453 . 4 1 1 A 43 43 GLY HA3 H 43 3.890 3.688 0.202 1
1 454 . 4 1 1 A 43 43 GLY CA C 43 47.000 47.453 -0.453 1
1 455 . 4 1 1 A 43 43 GLY N N 43 107.200 108.932 -1.732 1
1 456 . 4 1 1 A 44 44 VAL H H 44 6.930 7.568 -0.638 1
1 457 . 4 1 1 A 44 44 VAL HA H 44 3.800 3.770 0.030 1
1 465 . 4 1 1 A 44 44 VAL CA C 44 65.100 65.891 -0.791 1
1 466 . 4 1 1 A 44 44 VAL CB C 44 32.000 31.805 0.195 1
1 469 . 4 1 1 A 44 44 VAL N N 44 121.100 121.711 -0.611 1
1 470 . 4 1 1 A 45 45 LEU H H 45 7.830 7.835 -0.005 1
1 471 . 4 1 1 A 45 45 LEU HA H 45 3.890 4.022 -0.132 1
1 481 . 4 1 1 A 45 45 LEU CA C 45 58.100 58.029 0.071 1
1 482 . 4 1 1 A 45 45 LEU CB C 45 41.800 41.790 0.010 1
1 486 . 4 1 1 A 45 45 LEU N N 45 120.700 118.353 2.347 1
1 487 . 4 1 1 A 46 46 THR H H 46 8.340 8.326 0.014 1
1 488 . 4 1 1 A 46 46 THR HA H 46 3.850 3.749 0.101 1
1 493 . 4 1 1 A 46 46 THR CA C 46 66.800 66.614 0.186 1
1 494 . 4 1 1 A 46 46 THR CB C 46 68.800 67.705 1.095 1
1 496 . 4 1 1 A 46 46 THR N N 46 114.900 116.001 -1.101 1
1 497 . 4 1 1 A 47 47 VAL H H 47 7.210 7.248 -0.038 1
1 498 . 4 1 1 A 47 47 VAL HA H 47 3.820 3.459 0.361 1
1 506 . 4 1 1 A 47 47 VAL CA C 47 65.600 66.215 -0.615 1
1 507 . 4 1 1 A 47 47 VAL CB C 47 31.900 31.873 0.027 1
1 510 . 4 1 1 A 47 47 VAL N N 47 119.600 121.041 -1.441 1
1 511 . 4 1 1 A 48 48 PHE H H 48 8.140 8.618 -0.478 1
1 512 . 4 1 1 A 48 48 PHE HA H 48 4.210 4.095 0.115 1
1 520 . 4 1 1 A 48 48 PHE CA C 48 61.100 61.070 0.030 1
1 521 . 4 1 1 A 48 48 PHE CB C 48 39.200 39.044 0.156 1
1 525 . 4 1 1 A 48 48 PHE N N 48 120.600 120.713 -0.113 1
1 526 . 4 1 1 A 49 49 ARG H H 49 8.150 8.443 -0.293 1
1 527 . 4 1 1 A 49 49 ARG HA H 49 3.710 4.031 -0.321 1
1 534 . 4 1 1 A 49 49 ARG CA C 49 58.500 59.334 -0.834 1
1 535 . 4 1 1 A 49 49 ARG CB C 49 30.000 29.623 0.377 1
1 538 . 4 1 1 A 49 49 ARG N N 49 117.500 118.322 -0.822 1
1 539 . 4 1 1 A 50 50 PHE H H 50 7.270 7.178 0.092 1
1 540 . 4 1 1 A 50 50 PHE HA H 50 4.620 4.278 0.342 1
1 548 . 4 1 1 A 50 50 PHE CA C 50 57.700 59.842 -2.142 1
1 549 . 4 1 1 A 50 50 PHE CB C 50 39.600 39.654 -0.054 1
1 553 . 4 1 1 A 50 50 PHE N N 50 115.500 115.925 -0.425 1
1 554 . 4 1 1 A 51 51 ALA H H 51 7.620 7.202 0.418 1
1 555 . 4 1 1 A 51 51 ALA HA H 51 4.320 4.372 -0.052 1
1 559 . 4 1 1 A 51 51 ALA CA C 51 51.700 51.512 0.188 1
1 560 . 4 1 1 A 51 51 ALA CB C 51 19.300 20.544 -1.244 1
1 561 . 4 1 1 A 51 51 ALA N N 51 124.200 121.176 3.024 1
1 562 . 4 1 1 A 52 52 ARG H H 52 8.570 8.336 0.234 1
1 563 . 4 1 1 A 52 52 ARG HA H 52 4.270 4.483 -0.213 1
1 570 . 4 1 1 A 52 52 ARG CA C 52 54.700 54.367 0.333 1
1 571 . 4 1 1 A 52 52 ARG CB C 52 29.300 29.464 -0.164 1
1 574 . 4 1 1 A 52 52 ARG N N 52 123.500 120.439 3.061 1
1 575 . 4 1 1 A 53 53 PRO HA H 53 4.240 4.329 -0.089 1
1 582 . 4 1 1 A 53 53 PRO CA C 53 63.600 62.388 1.212 1
1 583 . 4 1 1 A 53 53 PRO CB C 53 31.600 31.467 0.133 1
1 586 . 4 1 1 A 54 54 SER H H 54 8.100 8.661 -0.561 1
1 587 . 4 1 1 A 54 54 SER HA H 54 4.390 4.575 -0.185 1
1 590 . 4 1 1 A 54 54 SER CA C 54 57.200 57.769 -0.569 1
1 591 . 4 1 1 A 54 54 SER CB C 54 63.100 63.827 -0.727 1
1 592 . 4 1 1 A 54 54 SER N N 54 117.200 115.628 1.572 1
1 593 . 4 1 1 A 55 55 TYR H H 55 6.640 7.036 -0.396 1
1 594 . 4 1 1 A 55 55 TYR HA H 55 5.030 4.984 0.046 1
1 601 . 4 1 1 A 55 55 TYR CA C 55 53.900 55.927 -2.027 1
1 602 . 4 1 1 A 55 55 TYR CB C 55 39.200 41.412 -2.212 1
1 605 . 4 1 1 A 55 55 TYR N N 55 119.200 118.793 0.407 1
1 606 . 4 1 1 A 56 56 GLU H H 56 8.890 9.040 -0.150 1
1 607 . 4 1 1 A 56 56 GLU HA H 56 4.740 5.067 -0.327 1
1 612 . 4 1 1 A 56 56 GLU CA C 56 55.700 55.406 0.294 1
1 613 . 4 1 1 A 56 56 GLU CB C 56 35.000 33.959 1.041 1
1 615 . 4 1 1 A 56 56 GLU N N 56 118.800 120.726 -1.926 1
1 616 . 4 1 1 A 57 57 VAL H H 57 8.830 8.880 -0.050 1
1 617 . 4 1 1 A 57 57 VAL HA H 57 5.370 5.064 0.306 1
1 625 . 4 1 1 A 57 57 VAL CA C 57 59.900 61.496 -1.596 1
1 626 . 4 1 1 A 57 57 VAL CB C 57 33.300 33.288 0.012 1
1 629 . 4 1 1 A 57 57 VAL N N 57 117.800 126.475 -8.675 1
1 630 . 4 1 1 A 58 58 PHE H H 58 8.870 8.602 0.268 1
1 631 . 4 1 1 A 58 58 PHE HA H 58 6.090 5.989 0.101 1
1 634 . 4 1 1 A 58 58 PHE CA C 58 55.600 55.989 -0.389 1
1 635 . 4 1 1 A 58 58 PHE CB C 58 42.700 41.964 0.736 1
1 636 . 4 1 1 A 58 58 PHE N N 58 120.600 123.027 -2.427 1
1 637 . 4 1 1 A 59 59 VAL H H 59 8.270 8.619 -0.349 1
1 638 . 4 1 1 A 59 59 VAL HA H 59 4.730 4.682 0.048 1
1 646 . 4 1 1 A 59 59 VAL CA C 59 58.500 60.134 -1.634 1
1 647 . 4 1 1 A 59 59 VAL CB C 59 34.800 35.014 -0.214 1
1 650 . 4 1 1 A 59 59 VAL N N 59 108.700 120.053 -11.353 1
1 651 . 4 1 1 A 60 60 ASP H H 60 9.360 8.820 0.540 1
1 652 . 4 1 1 A 60 60 ASP HA H 60 5.080 4.823 0.257 1
1 655 . 4 1 1 A 60 60 ASP CA C 60 52.700 53.313 -0.613 1
1 656 . 4 1 1 A 60 60 ASP CB C 60 41.100 41.400 -0.300 1
1 657 . 4 1 1 A 60 60 ASP N N 60 123.000 126.663 -3.663 1
1 658 . 4 1 1 A 61 61 LEU H H 61 9.230 8.411 0.819 1
1 659 . 4 1 1 A 61 61 LEU HA H 61 4.670 4.745 -0.075 1
1 669 . 4 1 1 A 61 61 LEU CA C 61 53.300 53.538 -0.238 1
1 670 . 4 1 1 A 61 61 LEU CB C 61 40.900 42.486 -1.586 1
1 674 . 4 1 1 A 61 61 LEU N N 61 128.600 127.709 0.891 1
1 675 . 4 1 1 A 62 62 THR H H 62 8.720 7.778 0.942 1
1 676 . 4 1 1 A 62 62 THR HA H 62 3.590 4.502 -0.912 1
1 681 . 4 1 1 A 62 62 THR CA C 62 67.000 65.125 1.875 1
1 682 . 4 1 1 A 62 62 THR CB C 62 69.100 68.876 0.224 1
1 684 . 4 1 1 A 62 62 THR N N 62 115.800 113.628 2.172 1
1 685 . 4 1 1 A 63 63 GLU H H 63 8.490 7.661 0.829 1
1 686 . 4 1 1 A 63 63 GLU HA H 63 4.530 4.500 0.030 1
1 691 . 4 1 1 A 63 63 GLU CA C 63 55.100 55.942 -0.842 1
1 692 . 4 1 1 A 63 63 GLU CB C 63 29.200 30.199 -0.999 1
1 694 . 4 1 1 A 63 63 GLU N N 63 118.800 120.137 -1.337 1
1 695 . 4 1 1 A 64 64 ALA H H 64 7.100 7.091 0.009 1
1 696 . 4 1 1 A 64 64 ALA HA H 64 4.130 3.972 0.158 1
1 700 . 4 1 1 A 64 64 ALA CA C 64 51.500 51.658 -0.158 1
1 701 . 4 1 1 A 64 64 ALA CB C 64 20.900 19.532 1.368 1
1 702 . 4 1 1 A 64 64 ALA N N 64 123.700 123.342 0.358 1
1 703 . 4 1 1 A 65 65 GLY H H 65 7.800 8.327 -0.527 1
1 704 . 4 1 1 A 65 65 GLY HA2 H 65 4.180 3.120 1.060 1
1 705 . 4 1 1 A 65 65 GLY HA3 H 65 3.540 3.719 -0.179 1
1 706 . 4 1 1 A 65 65 GLY CA C 65 42.600 44.873 -2.273 1
1 707 . 4 1 1 A 65 65 GLY N N 65 106.800 109.569 -2.769 1
1 708 . 4 1 1 A 66 66 GLU H H 66 8.490 8.238 0.252 1
1 709 . 4 1 1 A 66 66 GLU HA H 66 3.750 4.517 -0.767 1
1 714 . 4 1 1 A 66 66 GLU CA C 66 57.400 55.370 2.030 1
1 715 . 4 1 1 A 66 66 GLU CB C 66 30.300 32.526 -2.226 1
1 717 . 4 1 1 A 66 66 GLU N N 66 119.900 123.563 -3.663 1
1 718 . 4 1 1 A 67 67 GLY H H 67 8.470 8.660 -0.190 1
1 719 . 4 1 1 A 67 67 GLY HA2 H 67 3.770 4.098 -0.328 1
1 720 . 4 1 1 A 67 67 GLY HA3 H 67 4.390 4.109 0.281 1
1 721 . 4 1 1 A 67 67 GLY CA C 67 43.400 44.504 -1.104 1
1 722 . 4 1 1 A 67 67 GLY N N 67 110.800 110.709 0.091 1
1 723 . 4 1 1 A 68 68 SER H H 68 8.250 8.324 -0.074 1
1 724 . 4 1 1 A 68 68 SER HA H 68 4.610 4.473 0.137 1
1 727 . 4 1 1 A 68 68 SER CA C 68 57.700 58.754 -1.054 1
1 728 . 4 1 1 A 68 68 SER CB C 68 63.300 63.629 -0.329 1
1 729 . 4 1 1 A 68 68 SER N N 68 114.500 116.089 -1.589 1
1 730 . 4 1 1 A 69 69 HIS H H 69 8.780 8.695 0.085 1
1 731 . 4 1 1 A 69 69 HIS HA H 69 4.790 4.911 -0.121 1
1 734 . 4 1 1 A 69 69 HIS CA C 69 55.300 54.630 0.670 1
1 735 . 4 1 1 A 69 69 HIS CB C 69 33.900 33.158 0.742 1
1 736 . 4 1 1 A 69 69 HIS N N 69 125.400 124.283 1.117 1
1 737 . 4 1 1 A 70 70 THR H H 70 8.870 8.654 0.216 1
1 738 . 4 1 1 A 70 70 THR HA H 70 5.380 5.055 0.325 1
1 743 . 4 1 1 A 70 70 THR CA C 70 61.600 62.177 -0.577 1
1 744 . 4 1 1 A 70 70 THR CB C 70 69.400 69.567 -0.167 1
1 746 . 4 1 1 A 70 70 THR N N 70 121.200 118.389 2.811 1
1 747 . 4 1 1 A 71 71 VAL H H 71 8.860 9.333 -0.473 1
1 748 . 4 1 1 A 71 71 VAL HA H 71 4.730 4.987 -0.257 1
1 756 . 4 1 1 A 71 71 VAL CA C 71 58.900 58.893 0.007 1
1 757 . 4 1 1 A 71 71 VAL CB C 71 36.000 35.427 0.573 1
1 760 . 4 1 1 A 71 71 VAL N N 71 122.100 120.489 1.611 1
1 761 . 4 1 1 A 72 72 ASP H H 72 8.610 8.409 0.201 1
1 762 . 4 1 1 A 72 72 ASP HA H 72 4.660 4.939 -0.279 1
1 765 . 4 1 1 A 72 72 ASP CA C 72 55.500 54.470 1.030 1
1 766 . 4 1 1 A 72 72 ASP CB C 72 40.800 42.008 -1.208 1
1 767 . 4 1 1 A 72 72 ASP N N 72 124.300 120.895 3.405 1
1 768 . 4 1 1 A 73 73 VAL H H 73 8.090 8.591 -0.501 1
1 769 . 4 1 1 A 73 73 VAL HA H 73 3.770 4.300 -0.530 1
1 777 . 4 1 1 A 73 73 VAL CA C 73 63.600 61.952 1.648 1
1 778 . 4 1 1 A 73 73 VAL CB C 73 31.600 32.710 -1.110 1
1 781 . 4 1 1 A 73 73 VAL N N 73 121.400 122.265 -0.865 1
1 782 . 4 1 1 A 74 74 GLU H H 74 8.900 7.962 0.938 1
1 783 . 4 1 1 A 74 74 GLU HA H 74 4.370 4.749 -0.379 1
1 788 . 4 1 1 A 74 74 GLU CA C 74 54.700 55.103 -0.403 1
1 789 . 4 1 1 A 74 74 GLU CB C 74 33.300 31.657 1.643 1
1 791 . 4 1 1 A 74 74 GLU N N 74 129.600 126.998 2.602 1
1 792 . 4 1 1 A 75 75 HIS H H 75 7.940 8.266 -0.326 1
1 793 . 4 1 1 A 75 75 HIS HA H 75 5.830 5.582 0.248 1
1 796 . 4 1 1 A 75 75 HIS CA C 75 54.100 53.825 0.275 1
1 797 . 4 1 1 A 75 75 HIS CB C 75 39.500 33.856 5.644 1
1 798 . 4 1 1 A 75 75 HIS N N 75 112.800 117.138 -4.338 1
1 799 . 4 1 1 A 76 76 ARG H H 76 9.210 8.419 0.791 1
1 800 . 4 1 1 A 76 76 ARG HA H 76 5.170 4.644 0.526 1
1 805 . 4 1 1 A 76 76 ARG CA C 76 55.300 54.786 0.514 1
1 806 . 4 1 1 A 76 76 ARG CB C 76 33.400 34.194 -0.794 1
1 808 . 4 1 1 A 76 76 ARG N N 76 117.100 118.696 -1.596 1
1 809 . 4 1 1 A 77 77 GLY H H 77 8.740 8.226 0.514 1
1 810 . 4 1 1 A 77 77 GLY HA2 H 77 4.410 4.077 0.333 1
1 811 . 4 1 1 A 77 77 GLY HA3 H 77 3.670 4.133 -0.463 1
1 812 . 4 1 1 A 77 77 GLY CA C 77 45.400 45.571 -0.171 1
1 813 . 4 1 1 A 77 77 GLY N N 77 107.400 109.577 -2.177 1
1 814 . 4 1 1 A 78 78 PHE H H 78 7.920 7.479 0.441 1
1 815 . 4 1 1 A 78 78 PHE HA H 78 4.450 4.549 -0.099 1
1 823 . 4 1 1 A 78 78 PHE CA C 78 54.200 55.395 -1.195 1
1 824 . 4 1 1 A 78 78 PHE CB C 78 41.000 39.043 1.957 1
1 828 . 4 1 1 A 78 78 PHE N N 78 120.200 119.668 0.532 1
1 829 . 4 1 1 A 79 79 PRO HA H 79 4.470 4.615 -0.145 1
1 836 . 4 1 1 A 79 79 PRO CA C 79 63.300 62.934 0.366 1
1 837 . 4 1 1 A 79 79 PRO CB C 79 32.200 31.895 0.305 1
1 840 . 4 1 1 A 80 80 GLY H H 80 8.820 8.777 0.043 1
1 841 . 4 1 1 A 80 80 GLY HA2 H 80 4.020 3.946 0.074 1
1 842 . 4 1 1 A 80 80 GLY HA3 H 80 3.890 3.963 -0.073 1
1 843 . 4 1 1 A 80 80 GLY CA C 80 46.600 46.090 0.510 1
1 844 . 4 1 1 A 80 80 GLY N N 80 110.100 110.302 -0.202 1
1 845 . 4 1 1 A 81 81 ASP H H 81 8.360 8.050 0.310 1
1 846 . 4 1 1 A 81 81 ASP HA H 81 4.560 4.417 0.143 1
1 849 . 4 1 1 A 81 81 ASP CA C 81 53.800 56.567 -2.767 1
1 850 . 4 1 1 A 81 81 ASP CB C 81 40.300 41.592 -1.292 1
1 851 . 4 1 1 A 81 81 ASP N N 81 114.800 120.902 -6.102 1
1 852 . 4 1 1 A 82 82 LEU H H 82 7.400 7.158 0.242 1
1 853 . 4 1 1 A 82 82 LEU HA H 82 4.720 4.457 0.263 1
1 863 . 4 1 1 A 82 82 LEU CA C 82 52.800 54.466 -1.666 1
1 864 . 4 1 1 A 82 82 LEU CB C 82 42.900 41.983 0.917 1
1 868 . 4 1 1 A 82 82 LEU N N 82 115.500 121.425 -5.925 1
1 869 . 4 1 1 A 83 83 ALA H H 83 8.930 8.897 0.033 1
1 870 . 4 1 1 A 83 83 ALA HA H 83 4.530 4.476 0.054 1
1 874 . 4 1 1 A 83 83 ALA CA C 83 50.900 51.339 -0.439 1
1 875 . 4 1 1 A 83 83 ALA CB C 83 19.600 18.938 0.662 1
1 876 . 4 1 1 A 83 83 ALA N N 83 124.900 123.382 1.518 1
1 877 . 4 1 1 A 84 84 VAL H H 84 8.570 8.779 -0.209 1
1 878 . 4 1 1 A 84 84 VAL HA H 84 3.930 4.411 -0.481 1
1 886 . 4 1 1 A 84 84 VAL CA C 84 61.300 61.785 -0.485 1
1 887 . 4 1 1 A 84 84 VAL CB C 84 32.800 31.840 0.960 1
1 890 . 4 1 1 A 84 84 VAL N N 84 126.800 124.230 2.570 1
1 891 . 4 1 1 A 85 85 THR H H 85 9.000 8.922 0.078 1
1 892 . 4 1 1 A 85 85 THR HA H 85 4.440 4.871 -0.431 1
1 897 . 4 1 1 A 85 85 THR CA C 85 61.900 61.807 0.093 1
1 898 . 4 1 1 A 85 85 THR CB C 85 70.100 69.872 0.228 1
1 900 . 4 1 1 A 85 85 THR N N 85 125.500 123.665 1.835 1
1 901 . 4 1 1 A 86 86 VAL H H 86 8.280 9.030 -0.750 1
1 902 . 4 1 1 A 86 86 VAL HA H 86 5.010 4.835 0.175 1
1 910 . 4 1 1 A 86 86 VAL CA C 86 59.300 61.145 -1.845 1
1 911 . 4 1 1 A 86 86 VAL CB C 86 33.700 34.478 -0.778 1
1 914 . 4 1 1 A 86 86 VAL N N 86 123.200 127.334 -4.134 1
1 915 . 4 1 1 A 87 87 GLU H H 87 8.560 8.869 -0.309 1
1 916 . 4 1 1 A 87 87 GLU HA H 87 4.720 5.028 -0.308 1
1 921 . 4 1 1 A 87 87 GLU CA C 87 52.400 53.404 -1.004 1
1 922 . 4 1 1 A 87 87 GLU CB C 87 33.600 30.636 2.964 1
1 924 . 4 1 1 A 87 87 GLU N N 87 124.400 127.406 -3.006 1
1 925 . 4 1 1 A 88 88 PRO HA H 88 4.770 4.878 -0.108 1
1 932 . 4 1 1 A 88 88 PRO CA C 88 62.800 61.753 1.047 1
1 933 . 4 1 1 A 88 88 PRO CB C 88 34.300 32.591 1.709 1
1 936 . 4 1 1 A 89 89 ARG H H 89 8.200 8.995 -0.795 1
1 937 . 4 1 1 A 89 89 ARG HA H 89 4.050 4.170 -0.120 1
1 945 . 4 1 1 A 89 89 ARG CA C 89 57.300 58.827 -1.527 1
1 946 . 4 1 1 A 89 89 ARG CB C 89 30.700 30.930 -0.230 1
1 949 . 4 1 1 A 89 89 ARG N N 89 114.400 121.637 -7.237 1
1 951 . 4 1 1 A 90 90 MET H H 90 7.750 7.850 -0.100 1
1 952 . 4 1 1 A 90 90 MET HA H 90 5.060 5.069 -0.009 1
1 960 . 4 1 1 A 90 90 MET CA C 90 53.700 54.344 -0.644 1
1 961 . 4 1 1 A 90 90 MET CB C 90 34.700 36.036 -1.336 1
1 964 . 4 1 1 A 90 90 MET N N 90 115.900 118.627 -2.727 1
1 965 . 4 1 1 A 91 91 ALA H H 91 9.020 9.542 -0.522 1
1 966 . 4 1 1 A 91 91 ALA HA H 91 4.640 5.254 -0.614 1
1 970 . 4 1 1 A 91 91 ALA CA C 91 49.300 50.166 -0.866 1
1 971 . 4 1 1 A 91 91 ALA CB C 91 23.600 22.935 0.665 1
1 972 . 4 1 1 A 91 91 ALA N N 91 123.200 125.379 -2.179 1
1 973 . 4 1 1 A 92 92 ARG H H 92 8.370 8.796 -0.426 1
1 974 . 4 1 1 A 92 92 ARG HA H 92 5.480 5.496 -0.016 1
1 982 . 4 1 1 A 92 92 ARG CA C 92 54.000 55.006 -1.006 1
1 983 . 4 1 1 A 92 92 ARG CB C 92 32.600 31.969 0.631 1
1 986 . 4 1 1 A 92 92 ARG N N 92 119.600 119.684 -0.084 1
1 988 . 4 1 1 A 93 93 VAL H H 93 8.920 8.968 -0.048 1
1 989 . 4 1 1 A 93 93 VAL HA H 93 4.510 4.812 -0.302 1
1 997 . 4 1 1 A 93 93 VAL CA C 93 61.000 60.713 0.287 1
1 998 . 4 1 1 A 93 93 VAL CB C 93 36.900 34.837 2.063 1
1 1001 . 4 1 1 A 93 93 VAL N N 93 124.100 123.744 0.356 1
1 1002 . 4 1 1 A 94 94 GLN H H 94 8.930 9.066 -0.136 1
1 1003 . 4 1 1 A 94 94 GLN HA H 94 5.400 4.987 0.413 1
1 1010 . 4 1 1 A 94 94 GLN CA C 94 53.500 54.093 -0.593 1
1 1011 . 4 1 1 A 94 94 GLN CB C 94 30.300 31.913 -1.613 1
1 1013 . 4 1 1 A 94 94 GLN N N 94 127.900 127.719 0.181 1
1 1015 . 4 1 1 A 95 95 LEU H H 95 8.870 9.016 -0.146 1
1 1016 . 4 1 1 A 95 95 LEU HA H 95 5.390 5.377 0.013 1
1 1026 . 4 1 1 A 95 95 LEU CA C 95 53.000 53.347 -0.347 1
1 1027 . 4 1 1 A 95 95 LEU CB C 95 44.800 43.072 1.728 1
1 1031 . 4 1 1 A 95 95 LEU N N 95 126.400 128.235 -1.835 1
1 1032 . 4 1 1 A 96 96 GLU H H 96 9.300 9.454 -0.154 1
1 1033 . 4 1 1 A 96 96 GLU HA H 96 5.000 5.113 -0.113 1
1 1038 . 4 1 1 A 96 96 GLU CA C 96 54.300 54.538 -0.238 1
1 1039 . 4 1 1 A 96 96 GLU CB C 96 33.800 33.285 0.515 1
1 1041 . 4 1 1 A 96 96 GLU N N 96 122.700 126.187 -3.487 1
1 1042 . 4 1 1 A 97 97 GLU H H 97 9.730 8.849 0.881 1
1 1043 . 4 1 1 A 97 97 GLU HA H 97 4.360 4.383 -0.023 1
1 1048 . 4 1 1 A 97 97 GLU CA C 97 57.600 56.651 0.949 1
1 1049 . 4 1 1 A 97 97 GLU CB C 97 30.000 28.633 1.367 1
1 1051 . 4 1 1 A 97 97 GLU N N 97 126.200 123.968 2.232 1
1 1052 . 4 1 1 A 98 98 ARG H H 98 8.300 8.203 0.097 1
1 1053 . 4 1 1 A 98 98 ARG HA H 98 4.180 4.852 -0.672 1
1 1061 . 4 1 1 A 98 98 ARG CA C 98 56.800 55.017 1.783 1
1 1062 . 4 1 1 A 98 98 ARG CB C 98 30.700 34.011 -3.311 1
1 1065 . 4 1 1 A 98 98 ARG N N 98 126.500 122.990 3.510 1
1 1067 . 4 1 1 A 99 99 GLN H H 99 8.810 8.544 0.266 1
1 1068 . 4 1 1 A 99 99 GLN HA H 99 4.370 4.739 -0.369 1
1 1075 . 4 1 1 A 99 99 GLN CA C 99 55.600 54.761 0.839 1
1 1076 . 4 1 1 A 99 99 GLN CB C 99 29.500 30.327 -0.827 1
1 1078 . 4 1 1 A 99 99 GLN N N 99 123.700 120.123 3.577 1
1 1080 . 4 1 1 A 100 100 THR H H 100 8.340 8.441 -0.101 1
1 1081 . 4 1 1 A 100 100 THR HA H 100 4.330 4.204 0.126 1
1 1086 . 4 1 1 A 100 100 THR CA C 100 61.700 62.620 -0.920 1
1 1087 . 4 1 1 A 100 100 THR CB C 100 69.800 67.915 1.885 1
1 1089 . 4 1 1 A 100 100 THR N N 100 116.700 111.104 5.596 1
1 1090 . 4 1 1 A 101 101 VAL H H 101 8.290 8.563 -0.273 1
1 1091 . 4 1 1 A 101 101 VAL HA H 101 4.170 4.545 -0.375 1
1 1099 . 4 1 1 A 101 101 VAL CA C 101 61.900 63.419 -1.519 1
1 1100 . 4 1 1 A 101 101 VAL CB C 101 32.800 30.753 2.047 1
1 1103 . 4 1 1 A 101 101 VAL N N 101 122.900 127.215 -4.315 1
1 1104 . 4 1 1 A 102 102 SER H H 102 8.490 8.844 -0.354 1
1 1105 . 4 1 1 A 102 102 SER HA H 102 4.470 5.366 -0.896 1
1 1108 . 4 1 1 A 102 102 SER CA C 102 58.000 56.645 1.355 1
1 1109 . 4 1 1 A 102 102 SER CB C 102 63.600 64.480 -0.880 1
1 1110 . 4 1 1 A 102 102 SER N N 102 120.700 121.432 -0.732 1
1 1111 . 4 1 1 A 103 103 VAL H H 103 8.240 9.010 -0.770 1
1 1112 . 4 1 1 A 103 103 VAL HA H 103 4.420 4.766 -0.346 1
1 1120 . 4 1 1 A 103 103 VAL CA C 103 59.700 59.470 0.230 1
1 1121 . 4 1 1 A 103 103 VAL CB C 103 32.700 33.564 -0.864 1
1 1124 . 4 1 1 A 103 103 VAL N N 103 123.900 127.000 -3.100 1
1 1125 . 4 1 1 A 104 104 PRO HA H 104 4.420 4.671 -0.251 1
1 1132 . 4 1 1 A 104 104 PRO CA C 104 63.000 62.216 0.784 1
1 1133 . 4 1 1 A 104 104 PRO CB C 104 32.000 32.437 -0.437 1
1 1136 . 4 1 1 A 105 105 VAL H H 105 8.340 8.476 -0.136 1
1 1137 . 4 1 1 A 105 105 VAL HA H 105 4.130 4.173 -0.043 1
1 1145 . 4 1 1 A 105 105 VAL CA C 105 62.200 61.862 0.338 1
1 1146 . 4 1 1 A 105 105 VAL CB C 105 32.600 30.952 1.648 1
1 1149 . 4 1 1 A 105 105 VAL N N 105 121.000 120.343 0.657 1
1 1150 . 4 1 1 A 106 106 THR H H 106 8.210 8.465 -0.255 1
1 1151 . 4 1 1 A 106 106 THR HA H 106 4.380 4.428 -0.048 1
1 1156 . 4 1 1 A 106 106 THR CA C 106 61.400 61.929 -0.529 1
1 1157 . 4 1 1 A 106 106 THR CB C 106 70.000 69.755 0.245 1
1 1159 . 4 1 1 A 106 106 THR N N 106 118.700 119.412 -0.712 1
1 1160 . 4 1 1 A 107 107 VAL H H 107 8.280 8.437 -0.157 1
1 1161 . 4 1 1 A 107 107 VAL HA H 107 4.050 4.946 -0.896 1
1 1169 . 4 1 1 A 107 107 VAL CA C 107 62.600 59.636 2.964 1
1 1170 . 4 1 1 A 107 107 VAL CB C 107 32.600 35.045 -2.445 1
1 1173 . 4 1 1 A 107 107 VAL N N 107 122.700 121.636 1.064 1
1 1174 . 4 1 1 A 108 108 GLU H H 108 8.500 9.084 -0.584 1
1 1175 . 4 1 1 A 108 108 GLU HA H 108 4.230 4.358 -0.128 1
1 1180 . 4 1 1 A 108 108 GLU CA C 108 56.600 58.212 -1.612 1
1 1181 . 4 1 1 A 108 108 GLU CB C 108 30.000 31.218 -1.218 1
1 1183 . 4 1 1 A 108 108 GLU N N 108 124.100 127.855 -3.755 1
1 1184 . 4 1 1 A 109 109 MET H H 109 8.570 7.997 0.573 1
1 1185 . 4 1 1 A 109 109 MET HA H 109 4.460 4.545 -0.085 1
1 1188 . 4 1 1 A 109 109 MET CA C 109 55.300 57.082 -1.782 1
1 1189 . 4 1 1 A 109 109 MET CB C 109 26.800 31.631 -4.831 1
1 1190 . 4 1 1 A 109 109 MET N N 109 121.300 116.974 4.326 1
1 1191 . 4 1 1 A 110 110 ILE H H 110 8.280 8.551 -0.271 1
1 1192 . 4 1 1 A 110 110 ILE HA H 110 4.080 5.028 -0.948 1
1 1202 . 4 1 1 A 110 110 ILE CA C 110 61.400 59.420 1.980 1
1 1203 . 4 1 1 A 110 110 ILE CB C 110 38.700 40.706 -2.006 1
1 1207 . 4 1 1 A 110 110 ILE N N 110 122.600 123.662 -1.062 1
1 1208 . 4 1 1 A 111 111 ASN H H 111 8.590 8.937 -0.347 1
1 1209 . 4 1 1 A 111 111 ASN HA H 111 4.690 5.540 -0.850 1
1 1214 . 4 1 1 A 111 111 ASN CA C 111 53.000 51.878 1.122 1
1 1215 . 4 1 1 A 111 111 ASN CB C 111 38.600 42.019 -3.419 1
1 1216 . 4 1 1 A 111 111 ASN N N 111 122.800 128.256 -5.456 1
1 1218 . 4 1 1 A 112 112 LEU H H 112 8.340 8.529 -0.189 1
1 1219 . 4 1 1 A 112 112 LEU HA H 112 4.240 4.845 -0.605 1
1 1229 . 4 1 1 A 112 112 LEU CA C 112 55.400 54.411 0.989 1
1 1230 . 4 1 1 A 112 112 LEU CB C 112 42.100 46.092 -3.992 1
1 1 . 5 1 1 A 3 3 THR HA H 3 4.250 4.639 -0.389 1
1 6 . 5 1 1 A 3 3 THR CA C 3 62.000 60.867 1.133 1
1 7 . 5 1 1 A 3 3 THR CB C 3 69.700 73.374 -3.674 1
1 9 . 5 1 1 A 4 4 PHE H H 4 8.440 8.358 0.082 1
1 10 . 5 1 1 A 4 4 PHE HA H 4 4.650 4.311 0.339 1
1 17 . 5 1 1 A 4 4 PHE CA C 4 57.700 59.590 -1.890 1
1 18 . 5 1 1 A 4 4 PHE CB C 4 39.400 39.532 -0.132 1
1 21 . 5 1 1 A 4 4 PHE N N 4 122.400 121.159 1.241 1
1 22 . 5 1 1 A 5 5 ASP H H 5 8.500 8.813 -0.313 1
1 23 . 5 1 1 A 5 5 ASP HA H 5 4.600 4.831 -0.231 1
1 26 . 5 1 1 A 5 5 ASP CA C 5 53.900 53.940 -0.040 1
1 27 . 5 1 1 A 5 5 ASP CB C 5 40.700 40.048 0.652 1
1 28 . 5 1 1 A 5 5 ASP N N 5 121.800 122.402 -0.602 1
1 29 . 5 1 1 A 6 6 HIS H H 6 8.240 7.694 0.546 1
1 30 . 5 1 1 A 6 6 HIS HA H 6 4.780 5.486 -0.706 1
1 34 . 5 1 1 A 6 6 HIS CA C 6 55.300 54.248 1.052 1
1 35 . 5 1 1 A 6 6 HIS CB C 6 31.500 30.702 0.798 1
1 37 . 5 1 1 A 6 6 HIS N N 6 120.400 119.564 0.836 1
1 38 . 5 1 1 A 7 7 GLY H H 7 8.660 8.935 -0.275 1
1 39 . 5 1 1 A 7 7 GLY HA2 H 7 4.500 4.234 0.266 1
1 40 . 5 1 1 A 7 7 GLY HA3 H 7 3.580 4.245 -0.665 1
1 41 . 5 1 1 A 7 7 GLY CA C 7 44.200 44.338 -0.138 1
1 42 . 5 1 1 A 7 7 GLY N N 7 109.200 111.350 -2.150 1
1 43 . 5 1 1 A 8 8 ASN H H 8 8.040 8.613 -0.573 1
1 44 . 5 1 1 A 8 8 ASN HA H 8 5.500 5.848 -0.348 1
1 49 . 5 1 1 A 8 8 ASN CA C 8 52.600 51.901 0.699 1
1 50 . 5 1 1 A 8 8 ASN CB C 8 42.700 41.738 0.962 1
1 51 . 5 1 1 A 8 8 ASN N N 8 115.100 118.748 -3.648 1
1 53 . 5 1 1 A 9 9 LEU H H 9 8.850 9.044 -0.194 1
1 54 . 5 1 1 A 9 9 LEU HA H 9 4.530 4.753 -0.223 1
1 64 . 5 1 1 A 9 9 LEU CA C 9 54.700 54.436 0.264 1
1 65 . 5 1 1 A 9 9 LEU CB C 9 47.000 45.746 1.254 1
1 69 . 5 1 1 A 9 9 LEU N N 9 123.500 123.560 -0.060 1
1 70 . 5 1 1 A 10 10 SER H H 10 8.850 8.686 0.164 1
1 71 . 5 1 1 A 10 10 SER HA H 10 5.030 5.055 -0.025 1
1 74 . 5 1 1 A 10 10 SER CA C 10 57.000 56.568 0.432 1
1 75 . 5 1 1 A 10 10 SER CB C 10 63.900 64.205 -0.305 1
1 76 . 5 1 1 A 10 10 SER N N 10 121.800 117.780 4.020 1
1 77 . 5 1 1 A 11 11 LEU H H 11 8.820 9.236 -0.416 1
1 78 . 5 1 1 A 11 11 LEU HA H 11 4.460 4.593 -0.133 1
1 88 . 5 1 1 A 11 11 LEU CA C 11 54.400 54.784 -0.384 1
1 89 . 5 1 1 A 11 11 LEU CB C 11 41.900 42.515 -0.615 1
1 93 . 5 1 1 A 11 11 LEU N N 11 127.300 124.593 2.707 1
1 94 . 5 1 1 A 12 12 GLY H H 12 8.140 7.910 0.230 1
1 95 . 5 1 1 A 12 12 GLY HA2 H 12 3.720 4.106 -0.386 1
1 96 . 5 1 1 A 12 12 GLY HA3 H 12 4.080 4.128 -0.048 1
1 97 . 5 1 1 A 12 12 GLY CA C 12 44.700 45.527 -0.827 1
1 98 . 5 1 1 A 12 12 GLY N N 12 108.000 106.601 1.399 1
1 99 . 5 1 1 A 13 13 GLU H H 13 8.210 8.317 -0.107 1
1 100 . 5 1 1 A 13 13 GLU HA H 13 4.560 5.743 -1.183 1
1 105 . 5 1 1 A 13 13 GLU CA C 13 55.700 55.577 0.123 1
1 106 . 5 1 1 A 13 13 GLU CB C 13 30.300 31.062 -0.762 1
1 108 . 5 1 1 A 13 13 GLU N N 13 119.000 122.107 -3.107 1
1 109 . 5 1 1 A 14 14 LEU H H 14 9.360 9.365 -0.005 1
1 110 . 5 1 1 A 14 14 LEU HA H 14 4.720 5.036 -0.316 1
1 120 . 5 1 1 A 14 14 LEU CA C 14 53.400 53.481 -0.081 1
1 121 . 5 1 1 A 14 14 LEU CB C 14 44.200 44.326 -0.126 1
1 125 . 5 1 1 A 14 14 LEU N N 14 126.700 126.305 0.395 1
1 126 . 5 1 1 A 15 15 GLU H H 15 8.680 8.536 0.144 1
1 127 . 5 1 1 A 15 15 GLU HA H 15 4.240 4.616 -0.376 1
1 132 . 5 1 1 A 15 15 GLU CA C 15 56.900 56.536 0.364 1
1 133 . 5 1 1 A 15 15 GLU CB C 15 29.900 30.402 -0.502 1
1 135 . 5 1 1 A 15 15 GLU N N 15 120.600 122.388 -1.788 1
1 136 . 5 1 1 A 16 16 LEU H H 16 7.740 9.004 -1.264 1
1 137 . 5 1 1 A 16 16 LEU HA H 16 4.360 4.879 -0.519 1
1 147 . 5 1 1 A 16 16 LEU CA C 16 54.000 54.235 -0.235 1
1 148 . 5 1 1 A 16 16 LEU CB C 16 43.300 43.141 0.159 1
1 152 . 5 1 1 A 16 16 LEU N N 16 125.200 127.763 -2.563 1
1 153 . 5 1 1 A 17 17 THR H H 17 8.500 9.469 -0.969 1
1 154 . 5 1 1 A 17 17 THR HA H 17 4.420 4.852 -0.432 1
1 159 . 5 1 1 A 17 17 THR CA C 17 63.100 62.138 0.962 1
1 160 . 5 1 1 A 17 17 THR CB C 17 69.600 70.177 -0.577 1
1 162 . 5 1 1 A 17 17 THR N N 17 127.300 124.460 2.840 1
1 163 . 5 1 1 A 18 18 VAL H H 18 8.840 9.224 -0.384 1
1 164 . 5 1 1 A 18 18 VAL HA H 18 4.490 4.784 -0.294 1
1 172 . 5 1 1 A 18 18 VAL CA C 18 61.100 61.121 -0.021 1
1 173 . 5 1 1 A 18 18 VAL CB C 18 33.300 33.436 -0.136 1
1 176 . 5 1 1 A 18 18 VAL N N 18 127.000 127.622 -0.622 1
1 177 . 5 1 1 A 19 19 LEU H H 19 8.830 9.057 -0.227 1
1 178 . 5 1 1 A 19 19 LEU HA H 19 4.920 4.892 0.028 1
1 188 . 5 1 1 A 19 19 LEU CA C 19 53.400 53.799 -0.399 1
1 189 . 5 1 1 A 19 19 LEU CB C 19 41.200 41.618 -0.418 1
1 193 . 5 1 1 A 19 19 LEU N N 19 128.500 128.452 0.048 1
1 194 . 5 1 1 A 20 20 TYR H H 20 8.470 8.621 -0.151 1
1 195 . 5 1 1 A 20 20 TYR HA H 20 4.280 5.307 -1.027 1
1 202 . 5 1 1 A 20 20 TYR CA C 20 55.600 55.262 0.338 1
1 203 . 5 1 1 A 20 20 TYR CB C 20 38.200 41.233 -3.033 1
1 206 . 5 1 1 A 20 20 TYR N N 20 120.300 122.165 -1.865 1
1 207 . 5 1 1 A 21 21 ASP H H 21 8.920 9.020 -0.100 1
1 208 . 5 1 1 A 21 21 ASP HA H 21 4.640 4.855 -0.215 1
1 211 . 5 1 1 A 21 21 ASP CA C 21 53.000 52.845 0.155 1
1 212 . 5 1 1 A 21 21 ASP CB C 21 39.300 41.312 -2.012 1
1 213 . 5 1 1 A 21 21 ASP N N 21 118.600 121.511 -2.911 1
1 214 . 5 1 1 A 22 22 GLU H H 22 7.930 8.861 -0.931 1
1 215 . 5 1 1 A 22 22 GLU HA H 22 4.250 4.549 -0.299 1
1 220 . 5 1 1 A 22 22 GLU CA C 22 57.000 56.653 0.347 1
1 221 . 5 1 1 A 22 22 GLU CB C 22 29.000 28.981 0.019 1
1 223 . 5 1 1 A 22 22 GLU N N 22 126.600 124.661 1.939 1
1 224 . 5 1 1 A 23 23 GLU H H 23 8.060 7.975 0.085 1
1 225 . 5 1 1 A 23 23 GLU HA H 23 4.130 4.185 -0.055 1
1 230 . 5 1 1 A 23 23 GLU CA C 23 57.800 58.621 -0.821 1
1 231 . 5 1 1 A 23 23 GLU CB C 23 29.500 30.580 -1.080 1
1 233 . 5 1 1 A 23 23 GLU N N 23 117.800 119.497 -1.697 1
1 234 . 5 1 1 A 24 24 ARG H H 24 7.070 7.888 -0.818 1
1 235 . 5 1 1 A 24 24 ARG HA H 24 4.170 4.353 -0.183 1
1 243 . 5 1 1 A 24 24 ARG CA C 24 56.500 56.151 0.349 1
1 244 . 5 1 1 A 24 24 ARG CB C 24 33.500 32.435 1.065 1
1 247 . 5 1 1 A 24 24 ARG N N 24 116.700 116.206 0.494 1
1 249 . 5 1 1 A 25 25 TYR H H 25 8.150 7.204 0.946 1
1 250 . 5 1 1 A 25 25 TYR HA H 25 5.470 5.388 0.082 1
1 257 . 5 1 1 A 25 25 TYR CA C 25 56.900 57.747 -0.847 1
1 258 . 5 1 1 A 25 25 TYR CB C 25 43.100 40.206 2.894 1
1 261 . 5 1 1 A 25 25 TYR N N 25 116.800 118.522 -1.722 1
1 262 . 5 1 1 A 26 26 ASP H H 26 9.120 9.265 -0.145 1
1 263 . 5 1 1 A 26 26 ASP HA H 26 5.250 5.325 -0.075 1
1 266 . 5 1 1 A 26 26 ASP CA C 26 52.400 52.937 -0.537 1
1 267 . 5 1 1 A 26 26 ASP CB C 26 44.500 44.165 0.335 1
1 268 . 5 1 1 A 26 26 ASP N N 26 116.900 122.545 -5.645 1
1 269 . 5 1 1 A 27 27 ILE H H 27 8.640 8.904 -0.264 1
1 270 . 5 1 1 A 27 27 ILE HA H 27 4.100 4.241 -0.141 1
1 280 . 5 1 1 A 27 27 ILE CA C 27 61.400 61.002 0.398 1
1 281 . 5 1 1 A 27 27 ILE CB C 27 38.600 37.118 1.482 1
1 285 . 5 1 1 A 27 27 ILE N N 27 121.200 123.004 -1.804 1
1 286 . 5 1 1 A 28 28 VAL H H 28 8.840 8.956 -0.116 1
1 287 . 5 1 1 A 28 28 VAL HA H 28 3.930 3.936 -0.006 1
1 295 . 5 1 1 A 28 28 VAL CA C 28 63.800 64.241 -0.441 1
1 296 . 5 1 1 A 28 28 VAL CB C 28 32.900 32.532 0.368 1
1 299 . 5 1 1 A 28 28 VAL N N 28 128.700 129.418 -0.718 1
1 300 . 5 1 1 A 29 29 GLU H H 29 7.180 7.233 -0.053 1
1 301 . 5 1 1 A 29 29 GLU HA H 29 4.490 4.706 -0.216 1
1 306 . 5 1 1 A 29 29 GLU CA C 29 55.200 55.200 0.000 1
1 307 . 5 1 1 A 29 29 GLU CB C 29 32.900 33.093 -0.193 1
1 309 . 5 1 1 A 29 29 GLU N N 29 116.000 115.155 0.845 1
1 310 . 5 1 1 A 30 30 GLN H H 30 8.760 8.859 -0.099 1
1 311 . 5 1 1 A 30 30 GLN HA H 30 5.450 4.967 0.483 1
1 314 . 5 1 1 A 30 30 GLN CA C 30 54.200 54.279 -0.079 1
1 315 . 5 1 1 A 30 30 GLN CB C 30 33.100 31.949 1.151 1
1 316 . 5 1 1 A 30 30 GLN N N 30 117.200 118.769 -1.569 1
1 317 . 5 1 1 A 31 31 THR H H 31 8.200 8.828 -0.628 1
1 318 . 5 1 1 A 31 31 THR HA H 31 4.160 4.547 -0.387 1
1 323 . 5 1 1 A 31 31 THR CA C 31 64.500 62.594 1.906 1
1 324 . 5 1 1 A 31 31 THR CB C 31 70.300 69.558 0.742 1
1 326 . 5 1 1 A 31 31 THR N N 31 119.400 117.068 2.332 1
1 327 . 5 1 1 A 32 32 GLU H H 32 9.230 8.875 0.355 1
1 328 . 5 1 1 A 32 32 GLU HA H 32 4.170 4.496 -0.326 1
1 333 . 5 1 1 A 32 32 GLU CA C 32 60.000 58.734 1.266 1
1 334 . 5 1 1 A 32 32 GLU CB C 32 31.000 31.088 -0.088 1
1 336 . 5 1 1 A 32 32 GLU N N 32 129.600 126.517 3.083 1
1 337 . 5 1 1 A 33 33 THR H H 33 7.510 8.118 -0.608 1
1 338 . 5 1 1 A 33 33 THR HA H 33 5.320 5.365 -0.045 1
1 343 . 5 1 1 A 33 33 THR CA C 33 58.500 59.938 -1.438 1
1 344 . 5 1 1 A 33 33 THR CB C 33 73.100 71.920 1.180 1
1 346 . 5 1 1 A 33 33 THR N N 33 107.500 110.434 -2.934 1
1 347 . 5 1 1 A 34 34 VAL H H 34 8.700 8.694 0.006 1
1 348 . 5 1 1 A 34 34 VAL HA H 34 4.670 4.894 -0.224 1
1 356 . 5 1 1 A 34 34 VAL CA C 34 59.200 60.165 -0.965 1
1 357 . 5 1 1 A 34 34 VAL CB C 34 35.200 35.398 -0.198 1
1 360 . 5 1 1 A 34 34 VAL N N 34 112.000 121.202 -9.202 1
1 361 . 5 1 1 A 35 35 GLN H H 35 8.930 8.865 0.065 1
1 362 . 5 1 1 A 35 35 GLN HA H 35 4.790 5.165 -0.375 1
1 369 . 5 1 1 A 35 35 GLN CA C 35 54.800 54.952 -0.152 1
1 370 . 5 1 1 A 35 35 GLN CB C 35 29.900 30.710 -0.810 1
1 372 . 5 1 1 A 35 35 GLN N N 35 123.200 125.376 -2.176 1
1 374 . 5 1 1 A 36 36 VAL H H 36 7.940 8.615 -0.675 1
1 375 . 5 1 1 A 36 36 VAL HA H 36 4.850 5.079 -0.229 1
1 383 . 5 1 1 A 36 36 VAL CA C 36 61.300 60.787 0.513 1
1 384 . 5 1 1 A 36 36 VAL CB C 36 34.200 34.553 -0.353 1
1 387 . 5 1 1 A 36 36 VAL N N 36 124.300 126.989 -2.689 1
1 388 . 5 1 1 A 37 37 ASP H H 37 8.670 9.047 -0.377 1
1 389 . 5 1 1 A 37 37 ASP HA H 37 5.240 5.377 -0.137 1
1 392 . 5 1 1 A 37 37 ASP CA C 37 53.000 52.522 0.478 1
1 393 . 5 1 1 A 37 37 ASP CB C 37 44.700 44.429 0.271 1
1 394 . 5 1 1 A 37 37 ASP N N 37 126.900 127.796 -0.896 1
1 395 . 5 1 1 A 38 38 LEU H H 38 8.850 9.326 -0.476 1
1 396 . 5 1 1 A 38 38 LEU HA H 38 5.160 5.387 -0.227 1
1 406 . 5 1 1 A 38 38 LEU CA C 38 52.400 53.128 -0.728 1
1 407 . 5 1 1 A 38 38 LEU CB C 38 46.100 45.020 1.080 1
1 411 . 5 1 1 A 38 38 LEU N N 38 119.100 126.615 -7.515 1
1 412 . 5 1 1 A 39 39 GLU H H 39 8.380 8.958 -0.578 1
1 413 . 5 1 1 A 39 39 GLU HA H 39 5.210 5.538 -0.328 1
1 418 . 5 1 1 A 39 39 GLU CA C 39 54.600 54.616 -0.016 1
1 419 . 5 1 1 A 39 39 GLU CB C 39 33.900 33.434 0.466 1
1 421 . 5 1 1 A 39 39 GLU N N 39 120.800 122.311 -1.511 1
1 422 . 5 1 1 A 40 40 GLY H H 40 8.110 8.382 -0.272 1
1 423 . 5 1 1 A 40 40 GLY HA2 H 40 4.230 4.135 0.095 1
1 424 . 5 1 1 A 40 40 GLY HA3 H 40 3.730 4.153 -0.423 1
1 425 . 5 1 1 A 40 40 GLY CA C 40 45.000 45.320 -0.320 1
1 426 . 5 1 1 A 40 40 GLY N N 40 110.000 110.829 -0.829 1
1 427 . 5 1 1 A 41 41 PRO HA H 41 4.380 5.062 -0.682 1
1 434 . 5 1 1 A 41 41 PRO CA C 41 62.200 62.922 -0.722 1
1 435 . 5 1 1 A 41 41 PRO CB C 41 32.400 32.242 0.158 1
1 438 . 5 1 1 A 42 42 ARG H H 42 9.020 8.762 0.258 1
1 439 . 5 1 1 A 42 42 ARG HA H 42 3.790 4.007 -0.217 1
1 446 . 5 1 1 A 42 42 ARG CA C 42 60.400 58.912 1.488 1
1 447 . 5 1 1 A 42 42 ARG CB C 42 29.900 29.637 0.263 1
1 450 . 5 1 1 A 42 42 ARG N N 42 125.500 123.448 2.052 1
1 451 . 5 1 1 A 43 43 GLY H H 43 9.310 8.381 0.929 1
1 452 . 5 1 1 A 43 43 GLY HA2 H 43 3.890 3.741 0.149 1
1 453 . 5 1 1 A 43 43 GLY HA3 H 43 3.890 3.747 0.143 1
1 454 . 5 1 1 A 43 43 GLY CA C 43 47.000 47.720 -0.720 1
1 455 . 5 1 1 A 43 43 GLY N N 43 107.200 108.917 -1.717 1
1 456 . 5 1 1 A 44 44 VAL H H 44 6.930 7.727 -0.797 1
1 457 . 5 1 1 A 44 44 VAL HA H 44 3.800 3.815 -0.015 1
1 465 . 5 1 1 A 44 44 VAL CA C 44 65.100 66.103 -1.003 1
1 466 . 5 1 1 A 44 44 VAL CB C 44 32.000 31.834 0.166 1
1 469 . 5 1 1 A 44 44 VAL N N 44 121.100 122.313 -1.213 1
1 470 . 5 1 1 A 45 45 LEU H H 45 7.830 8.073 -0.243 1
1 471 . 5 1 1 A 45 45 LEU HA H 45 3.890 4.065 -0.175 1
1 481 . 5 1 1 A 45 45 LEU CA C 45 58.100 58.081 0.019 1
1 482 . 5 1 1 A 45 45 LEU CB C 45 41.800 41.414 0.386 1
1 486 . 5 1 1 A 45 45 LEU N N 45 120.700 119.583 1.117 1
1 487 . 5 1 1 A 46 46 THR H H 46 8.340 8.365 -0.025 1
1 488 . 5 1 1 A 46 46 THR HA H 46 3.850 3.886 -0.036 1
1 493 . 5 1 1 A 46 46 THR CA C 46 66.800 66.787 0.013 1
1 494 . 5 1 1 A 46 46 THR CB C 46 68.800 68.002 0.798 1
1 496 . 5 1 1 A 46 46 THR N N 46 114.900 115.916 -1.016 1
1 497 . 5 1 1 A 47 47 VAL H H 47 7.210 7.755 -0.545 1
1 498 . 5 1 1 A 47 47 VAL HA H 47 3.820 3.959 -0.139 1
1 506 . 5 1 1 A 47 47 VAL CA C 47 65.600 66.707 -1.107 1
1 507 . 5 1 1 A 47 47 VAL CB C 47 31.900 31.649 0.251 1
1 510 . 5 1 1 A 47 47 VAL N N 47 119.600 121.368 -1.768 1
1 511 . 5 1 1 A 48 48 PHE H H 48 8.140 8.728 -0.588 1
1 512 . 5 1 1 A 48 48 PHE HA H 48 4.210 4.152 0.058 1
1 520 . 5 1 1 A 48 48 PHE CA C 48 61.100 61.228 -0.128 1
1 521 . 5 1 1 A 48 48 PHE CB C 48 39.200 39.102 0.098 1
1 525 . 5 1 1 A 48 48 PHE N N 48 120.600 120.599 0.001 1
1 526 . 5 1 1 A 49 49 ARG H H 49 8.150 8.163 -0.013 1
1 527 . 5 1 1 A 49 49 ARG HA H 49 3.710 4.063 -0.353 1
1 534 . 5 1 1 A 49 49 ARG CA C 49 58.500 58.969 -0.469 1
1 535 . 5 1 1 A 49 49 ARG CB C 49 30.000 29.921 0.079 1
1 538 . 5 1 1 A 49 49 ARG N N 49 117.500 117.867 -0.367 1
1 539 . 5 1 1 A 50 50 PHE H H 50 7.270 7.637 -0.367 1
1 540 . 5 1 1 A 50 50 PHE HA H 50 4.620 4.298 0.322 1
1 548 . 5 1 1 A 50 50 PHE CA C 50 57.700 60.122 -2.422 1
1 549 . 5 1 1 A 50 50 PHE CB C 50 39.600 39.406 0.194 1
1 553 . 5 1 1 A 50 50 PHE N N 50 115.500 116.708 -1.208 1
1 554 . 5 1 1 A 51 51 ALA H H 51 7.620 7.526 0.094 1
1 555 . 5 1 1 A 51 51 ALA HA H 51 4.320 4.448 -0.128 1
1 559 . 5 1 1 A 51 51 ALA CA C 51 51.700 51.105 0.595 1
1 560 . 5 1 1 A 51 51 ALA CB C 51 19.300 21.175 -1.875 1
1 561 . 5 1 1 A 51 51 ALA N N 51 124.200 120.946 3.254 1
1 562 . 5 1 1 A 52 52 ARG H H 52 8.570 8.244 0.326 1
1 563 . 5 1 1 A 52 52 ARG HA H 52 4.270 4.622 -0.352 1
1 570 . 5 1 1 A 52 52 ARG CA C 52 54.700 54.104 0.596 1
1 571 . 5 1 1 A 52 52 ARG CB C 52 29.300 29.251 0.049 1
1 574 . 5 1 1 A 52 52 ARG N N 52 123.500 120.210 3.290 1
1 575 . 5 1 1 A 53 53 PRO HA H 53 4.240 3.948 0.292 1
1 582 . 5 1 1 A 53 53 PRO CA C 53 63.600 63.067 0.533 1
1 583 . 5 1 1 A 53 53 PRO CB C 53 31.600 31.823 -0.223 1
1 586 . 5 1 1 A 54 54 SER H H 54 8.100 8.312 -0.212 1
1 587 . 5 1 1 A 54 54 SER HA H 54 4.390 4.608 -0.218 1
1 590 . 5 1 1 A 54 54 SER CA C 54 57.200 57.121 0.079 1
1 591 . 5 1 1 A 54 54 SER CB C 54 63.100 64.812 -1.712 1
1 592 . 5 1 1 A 54 54 SER N N 54 117.200 118.272 -1.072 1
1 593 . 5 1 1 A 55 55 TYR H H 55 6.640 6.963 -0.323 1
1 594 . 5 1 1 A 55 55 TYR HA H 55 5.030 5.601 -0.571 1
1 601 . 5 1 1 A 55 55 TYR CA C 55 53.900 55.581 -1.681 1
1 602 . 5 1 1 A 55 55 TYR CB C 55 39.200 41.684 -2.484 1
1 605 . 5 1 1 A 55 55 TYR N N 55 119.200 119.725 -0.525 1
1 606 . 5 1 1 A 56 56 GLU H H 56 8.890 8.714 0.176 1
1 607 . 5 1 1 A 56 56 GLU HA H 56 4.740 5.165 -0.425 1
1 612 . 5 1 1 A 56 56 GLU CA C 56 55.700 55.143 0.557 1
1 613 . 5 1 1 A 56 56 GLU CB C 56 35.000 34.511 0.489 1
1 615 . 5 1 1 A 56 56 GLU N N 56 118.800 121.438 -2.638 1
1 616 . 5 1 1 A 57 57 VAL H H 57 8.830 8.333 0.497 1
1 617 . 5 1 1 A 57 57 VAL HA H 57 5.370 4.878 0.492 1
1 625 . 5 1 1 A 57 57 VAL CA C 57 59.900 61.623 -1.723 1
1 626 . 5 1 1 A 57 57 VAL CB C 57 33.300 33.352 -0.052 1
1 629 . 5 1 1 A 57 57 VAL N N 57 117.800 122.356 -4.556 1
1 630 . 5 1 1 A 58 58 PHE H H 58 8.870 8.693 0.177 1
1 631 . 5 1 1 A 58 58 PHE HA H 58 6.090 6.155 -0.065 1
1 634 . 5 1 1 A 58 58 PHE CA C 58 55.600 55.792 -0.192 1
1 635 . 5 1 1 A 58 58 PHE CB C 58 42.700 42.257 0.443 1
1 636 . 5 1 1 A 58 58 PHE N N 58 120.600 122.276 -1.676 1
1 637 . 5 1 1 A 59 59 VAL H H 59 8.270 8.763 -0.493 1
1 638 . 5 1 1 A 59 59 VAL HA H 59 4.730 4.817 -0.087 1
1 646 . 5 1 1 A 59 59 VAL CA C 59 58.500 59.531 -1.031 1
1 647 . 5 1 1 A 59 59 VAL CB C 59 34.800 35.765 -0.965 1
1 650 . 5 1 1 A 59 59 VAL N N 59 108.700 117.147 -8.447 1
1 651 . 5 1 1 A 60 60 ASP H H 60 9.360 8.771 0.589 1
1 652 . 5 1 1 A 60 60 ASP HA H 60 5.080 5.132 -0.052 1
1 655 . 5 1 1 A 60 60 ASP CA C 60 52.700 53.582 -0.882 1
1 656 . 5 1 1 A 60 60 ASP CB C 60 41.100 41.665 -0.565 1
1 657 . 5 1 1 A 60 60 ASP N N 60 123.000 122.756 0.244 1
1 658 . 5 1 1 A 61 61 LEU H H 61 9.230 8.811 0.419 1
1 659 . 5 1 1 A 61 61 LEU HA H 61 4.670 4.710 -0.040 1
1 669 . 5 1 1 A 61 61 LEU CA C 61 53.300 54.161 -0.861 1
1 670 . 5 1 1 A 61 61 LEU CB C 61 40.900 43.092 -2.192 1
1 674 . 5 1 1 A 61 61 LEU N N 61 128.600 125.875 2.725 1
1 675 . 5 1 1 A 62 62 THR H H 62 8.720 8.232 0.488 1
1 676 . 5 1 1 A 62 62 THR HA H 62 3.590 4.142 -0.552 1
1 681 . 5 1 1 A 62 62 THR CA C 62 67.000 64.750 2.250 1
1 682 . 5 1 1 A 62 62 THR CB C 62 69.100 68.889 0.211 1
1 684 . 5 1 1 A 62 62 THR N N 62 115.800 114.066 1.734 1
1 685 . 5 1 1 A 63 63 GLU H H 63 8.490 7.613 0.877 1
1 686 . 5 1 1 A 63 63 GLU HA H 63 4.530 4.401 0.129 1
1 691 . 5 1 1 A 63 63 GLU CA C 63 55.100 56.062 -0.962 1
1 692 . 5 1 1 A 63 63 GLU CB C 63 29.200 30.152 -0.952 1
1 694 . 5 1 1 A 63 63 GLU N N 63 118.800 120.132 -1.332 1
1 695 . 5 1 1 A 64 64 ALA H H 64 7.100 7.281 -0.181 1
1 696 . 5 1 1 A 64 64 ALA HA H 64 4.130 3.982 0.148 1
1 700 . 5 1 1 A 64 64 ALA CA C 64 51.500 52.122 -0.622 1
1 701 . 5 1 1 A 64 64 ALA CB C 64 20.900 18.936 1.964 1
1 702 . 5 1 1 A 64 64 ALA N N 64 123.700 123.001 0.699 1
1 703 . 5 1 1 A 65 65 GLY H H 65 7.800 8.506 -0.706 1
1 704 . 5 1 1 A 65 65 GLY HA2 H 65 4.180 3.124 1.056 1
1 705 . 5 1 1 A 65 65 GLY HA3 H 65 3.540 3.859 -0.319 1
1 706 . 5 1 1 A 65 65 GLY CA C 65 42.600 45.396 -2.796 1
1 707 . 5 1 1 A 65 65 GLY N N 65 106.800 110.636 -3.836 1
1 708 . 5 1 1 A 66 66 GLU H H 66 8.490 7.967 0.523 1
1 709 . 5 1 1 A 66 66 GLU HA H 66 3.750 4.587 -0.837 1
1 714 . 5 1 1 A 66 66 GLU CA C 66 57.400 55.453 1.947 1
1 715 . 5 1 1 A 66 66 GLU CB C 66 30.300 32.604 -2.304 1
1 717 . 5 1 1 A 66 66 GLU N N 66 119.900 122.310 -2.410 1
1 718 . 5 1 1 A 67 67 GLY H H 67 8.470 8.595 -0.125 1
1 719 . 5 1 1 A 67 67 GLY HA2 H 67 3.770 4.058 -0.288 1
1 720 . 5 1 1 A 67 67 GLY HA3 H 67 4.390 4.060 0.330 1
1 721 . 5 1 1 A 67 67 GLY CA C 67 43.400 44.494 -1.094 1
1 722 . 5 1 1 A 67 67 GLY N N 67 110.800 110.691 0.109 1
1 723 . 5 1 1 A 68 68 SER H H 68 8.250 8.152 0.098 1
1 724 . 5 1 1 A 68 68 SER HA H 68 4.610 5.114 -0.504 1
1 727 . 5 1 1 A 68 68 SER CA C 68 57.700 58.711 -1.011 1
1 728 . 5 1 1 A 68 68 SER CB C 68 63.300 63.666 -0.366 1
1 729 . 5 1 1 A 68 68 SER N N 68 114.500 115.408 -0.908 1
1 730 . 5 1 1 A 69 69 HIS H H 69 8.780 8.620 0.160 1
1 731 . 5 1 1 A 69 69 HIS HA H 69 4.790 5.280 -0.490 1
1 734 . 5 1 1 A 69 69 HIS CA C 69 55.300 54.606 0.694 1
1 735 . 5 1 1 A 69 69 HIS CB C 69 33.900 33.253 0.647 1
1 736 . 5 1 1 A 69 69 HIS N N 69 125.400 126.702 -1.302 1
1 737 . 5 1 1 A 70 70 THR H H 70 8.870 8.493 0.377 1
1 738 . 5 1 1 A 70 70 THR HA H 70 5.380 5.374 0.006 1
1 743 . 5 1 1 A 70 70 THR CA C 70 61.600 62.005 -0.405 1
1 744 . 5 1 1 A 70 70 THR CB C 70 69.400 69.549 -0.149 1
1 746 . 5 1 1 A 70 70 THR N N 70 121.200 121.397 -0.197 1
1 747 . 5 1 1 A 71 71 VAL H H 71 8.860 9.219 -0.359 1
1 748 . 5 1 1 A 71 71 VAL HA H 71 4.730 4.994 -0.264 1
1 756 . 5 1 1 A 71 71 VAL CA C 71 58.900 58.995 -0.095 1
1 757 . 5 1 1 A 71 71 VAL CB C 71 36.000 35.355 0.645 1
1 760 . 5 1 1 A 71 71 VAL N N 71 122.100 120.739 1.361 1
1 761 . 5 1 1 A 72 72 ASP H H 72 8.610 8.483 0.127 1
1 762 . 5 1 1 A 72 72 ASP HA H 72 4.660 4.847 -0.187 1
1 765 . 5 1 1 A 72 72 ASP CA C 72 55.500 54.145 1.355 1
1 766 . 5 1 1 A 72 72 ASP CB C 72 40.800 42.060 -1.260 1
1 767 . 5 1 1 A 72 72 ASP N N 72 124.300 122.675 1.625 1
1 768 . 5 1 1 A 73 73 VAL H H 73 8.090 8.601 -0.511 1
1 769 . 5 1 1 A 73 73 VAL HA H 73 3.770 4.299 -0.529 1
1 777 . 5 1 1 A 73 73 VAL CA C 73 63.600 61.831 1.769 1
1 778 . 5 1 1 A 73 73 VAL CB C 73 31.600 32.531 -0.931 1
1 781 . 5 1 1 A 73 73 VAL N N 73 121.400 125.082 -3.682 1
1 782 . 5 1 1 A 74 74 GLU H H 74 8.900 8.411 0.489 1
1 783 . 5 1 1 A 74 74 GLU HA H 74 4.370 4.526 -0.156 1
1 788 . 5 1 1 A 74 74 GLU CA C 74 54.700 54.862 -0.162 1
1 789 . 5 1 1 A 74 74 GLU CB C 74 33.300 31.511 1.789 1
1 791 . 5 1 1 A 74 74 GLU N N 74 129.600 127.628 1.972 1
1 792 . 5 1 1 A 75 75 HIS H H 75 7.940 8.091 -0.151 1
1 793 . 5 1 1 A 75 75 HIS HA H 75 5.830 5.492 0.338 1
1 796 . 5 1 1 A 75 75 HIS CA C 75 54.100 53.914 0.186 1
1 797 . 5 1 1 A 75 75 HIS CB C 75 39.500 33.965 5.535 1
1 798 . 5 1 1 A 75 75 HIS N N 75 112.800 119.243 -6.443 1
1 799 . 5 1 1 A 76 76 ARG H H 76 9.210 8.416 0.794 1
1 800 . 5 1 1 A 76 76 ARG HA H 76 5.170 4.380 0.790 1
1 805 . 5 1 1 A 76 76 ARG CA C 76 55.300 55.867 -0.567 1
1 806 . 5 1 1 A 76 76 ARG CB C 76 33.400 33.401 -0.001 1
1 808 . 5 1 1 A 76 76 ARG N N 76 117.100 120.812 -3.712 1
1 809 . 5 1 1 A 77 77 GLY H H 77 8.740 8.222 0.518 1
1 810 . 5 1 1 A 77 77 GLY HA2 H 77 4.410 4.017 0.393 1
1 811 . 5 1 1 A 77 77 GLY HA3 H 77 3.670 4.049 -0.379 1
1 812 . 5 1 1 A 77 77 GLY CA C 77 45.400 45.388 0.012 1
1 813 . 5 1 1 A 77 77 GLY N N 77 107.400 112.881 -5.481 1
1 814 . 5 1 1 A 78 78 PHE H H 78 7.920 7.274 0.646 1
1 815 . 5 1 1 A 78 78 PHE HA H 78 4.450 4.885 -0.435 1
1 823 . 5 1 1 A 78 78 PHE CA C 78 54.200 55.117 -0.917 1
1 824 . 5 1 1 A 78 78 PHE CB C 78 41.000 38.886 2.114 1
1 828 . 5 1 1 A 78 78 PHE N N 78 120.200 119.444 0.756 1
1 829 . 5 1 1 A 79 79 PRO HA H 79 4.470 4.566 -0.096 1
1 836 . 5 1 1 A 79 79 PRO CA C 79 63.300 63.675 -0.375 1
1 837 . 5 1 1 A 79 79 PRO CB C 79 32.200 32.014 0.186 1
1 840 . 5 1 1 A 80 80 GLY H H 80 8.820 8.736 0.084 1
1 841 . 5 1 1 A 80 80 GLY HA2 H 80 4.020 3.995 0.025 1
1 842 . 5 1 1 A 80 80 GLY HA3 H 80 3.890 4.050 -0.160 1
1 843 . 5 1 1 A 80 80 GLY CA C 80 46.600 46.819 -0.219 1
1 844 . 5 1 1 A 80 80 GLY N N 80 110.100 109.454 0.646 1
1 845 . 5 1 1 A 81 81 ASP H H 81 8.360 8.882 -0.522 1
1 846 . 5 1 1 A 81 81 ASP HA H 81 4.560 4.957 -0.397 1
1 849 . 5 1 1 A 81 81 ASP CA C 81 53.800 54.686 -0.886 1
1 850 . 5 1 1 A 81 81 ASP CB C 81 40.300 44.126 -3.826 1
1 851 . 5 1 1 A 81 81 ASP N N 81 114.800 120.166 -5.366 1
1 852 . 5 1 1 A 82 82 LEU H H 82 7.400 6.975 0.425 1
1 853 . 5 1 1 A 82 82 LEU HA H 82 4.720 4.254 0.466 1
1 863 . 5 1 1 A 82 82 LEU CA C 82 52.800 54.545 -1.745 1
1 864 . 5 1 1 A 82 82 LEU CB C 82 42.900 42.009 0.891 1
1 868 . 5 1 1 A 82 82 LEU N N 82 115.500 121.694 -6.194 1
1 869 . 5 1 1 A 83 83 ALA H H 83 8.930 8.699 0.231 1
1 870 . 5 1 1 A 83 83 ALA HA H 83 4.530 4.483 0.047 1
1 874 . 5 1 1 A 83 83 ALA CA C 83 50.900 51.394 -0.494 1
1 875 . 5 1 1 A 83 83 ALA CB C 83 19.600 19.001 0.599 1
1 876 . 5 1 1 A 83 83 ALA N N 83 124.900 124.611 0.289 1
1 877 . 5 1 1 A 84 84 VAL H H 84 8.570 8.760 -0.190 1
1 878 . 5 1 1 A 84 84 VAL HA H 84 3.930 4.362 -0.432 1
1 886 . 5 1 1 A 84 84 VAL CA C 84 61.300 61.361 -0.061 1
1 887 . 5 1 1 A 84 84 VAL CB C 84 32.800 32.281 0.519 1
1 890 . 5 1 1 A 84 84 VAL N N 84 126.800 124.160 2.640 1
1 891 . 5 1 1 A 85 85 THR H H 85 9.000 9.135 -0.135 1
1 892 . 5 1 1 A 85 85 THR HA H 85 4.440 4.909 -0.469 1
1 897 . 5 1 1 A 85 85 THR CA C 85 61.900 61.696 0.204 1
1 898 . 5 1 1 A 85 85 THR CB C 85 70.100 69.927 0.173 1
1 900 . 5 1 1 A 85 85 THR N N 85 125.500 124.137 1.363 1
1 901 . 5 1 1 A 86 86 VAL H H 86 8.280 8.979 -0.699 1
1 902 . 5 1 1 A 86 86 VAL HA H 86 5.010 4.998 0.012 1
1 910 . 5 1 1 A 86 86 VAL CA C 86 59.300 59.121 0.179 1
1 911 . 5 1 1 A 86 86 VAL CB C 86 33.700 34.660 -0.960 1
1 914 . 5 1 1 A 86 86 VAL N N 86 123.200 124.752 -1.552 1
1 915 . 5 1 1 A 87 87 GLU H H 87 8.560 8.294 0.266 1
1 916 . 5 1 1 A 87 87 GLU HA H 87 4.720 4.789 -0.069 1
1 921 . 5 1 1 A 87 87 GLU CA C 87 52.400 53.896 -1.496 1
1 922 . 5 1 1 A 87 87 GLU CB C 87 33.600 31.128 2.472 1
1 924 . 5 1 1 A 87 87 GLU N N 87 124.400 123.567 0.833 1
1 925 . 5 1 1 A 88 88 PRO HA H 88 4.770 4.884 -0.114 1
1 932 . 5 1 1 A 88 88 PRO CA C 88 62.800 61.708 1.092 1
1 933 . 5 1 1 A 88 88 PRO CB C 88 34.300 32.672 1.628 1
1 936 . 5 1 1 A 89 89 ARG H H 89 8.200 9.074 -0.874 1
1 937 . 5 1 1 A 89 89 ARG HA H 89 4.050 4.225 -0.175 1
1 945 . 5 1 1 A 89 89 ARG CA C 89 57.300 58.481 -1.181 1
1 946 . 5 1 1 A 89 89 ARG CB C 89 30.700 31.028 -0.328 1
1 949 . 5 1 1 A 89 89 ARG N N 89 114.400 120.830 -6.430 1
1 951 . 5 1 1 A 90 90 MET H H 90 7.750 7.828 -0.078 1
1 952 . 5 1 1 A 90 90 MET HA H 90 5.060 4.980 0.080 1
1 960 . 5 1 1 A 90 90 MET CA C 90 53.700 54.249 -0.549 1
1 961 . 5 1 1 A 90 90 MET CB C 90 34.700 37.966 -3.266 1
1 964 . 5 1 1 A 90 90 MET N N 90 115.900 117.612 -1.712 1
1 965 . 5 1 1 A 91 91 ALA H H 91 9.020 9.198 -0.178 1
1 966 . 5 1 1 A 91 91 ALA HA H 91 4.640 5.352 -0.712 1
1 970 . 5 1 1 A 91 91 ALA CA C 91 49.300 50.033 -0.733 1
1 971 . 5 1 1 A 91 91 ALA CB C 91 23.600 22.393 1.207 1
1 972 . 5 1 1 A 91 91 ALA N N 91 123.200 123.120 0.080 1
1 973 . 5 1 1 A 92 92 ARG H H 92 8.370 8.855 -0.485 1
1 974 . 5 1 1 A 92 92 ARG HA H 92 5.480 5.373 0.107 1
1 982 . 5 1 1 A 92 92 ARG CA C 92 54.000 54.828 -0.828 1
1 983 . 5 1 1 A 92 92 ARG CB C 92 32.600 32.866 -0.266 1
1 986 . 5 1 1 A 92 92 ARG N N 92 119.600 120.133 -0.533 1
1 988 . 5 1 1 A 93 93 VAL H H 93 8.920 8.570 0.350 1
1 989 . 5 1 1 A 93 93 VAL HA H 93 4.510 4.780 -0.270 1
1 997 . 5 1 1 A 93 93 VAL CA C 93 61.000 60.429 0.571 1
1 998 . 5 1 1 A 93 93 VAL CB C 93 36.900 35.678 1.222 1
1 1001 . 5 1 1 A 93 93 VAL N N 93 124.100 122.515 1.585 1
1 1002 . 5 1 1 A 94 94 GLN H H 94 8.930 9.077 -0.147 1
1 1003 . 5 1 1 A 94 94 GLN HA H 94 5.400 4.928 0.472 1
1 1010 . 5 1 1 A 94 94 GLN CA C 94 53.500 54.630 -1.130 1
1 1011 . 5 1 1 A 94 94 GLN CB C 94 30.300 31.142 -0.842 1
1 1013 . 5 1 1 A 94 94 GLN N N 94 127.900 127.177 0.723 1
1 1015 . 5 1 1 A 95 95 LEU H H 95 8.870 9.118 -0.248 1
1 1016 . 5 1 1 A 95 95 LEU HA H 95 5.390 5.220 0.170 1
1 1026 . 5 1 1 A 95 95 LEU CA C 95 53.000 53.265 -0.265 1
1 1027 . 5 1 1 A 95 95 LEU CB C 95 44.800 44.866 -0.066 1
1 1031 . 5 1 1 A 95 95 LEU N N 95 126.400 128.293 -1.893 1
1 1032 . 5 1 1 A 96 96 GLU H H 96 9.300 9.204 0.096 1
1 1033 . 5 1 1 A 96 96 GLU HA H 96 5.000 5.044 -0.044 1
1 1038 . 5 1 1 A 96 96 GLU CA C 96 54.300 54.638 -0.338 1
1 1039 . 5 1 1 A 96 96 GLU CB C 96 33.800 33.352 0.448 1
1 1041 . 5 1 1 A 96 96 GLU N N 96 122.700 123.939 -1.239 1
1 1042 . 5 1 1 A 97 97 GLU H H 97 9.730 8.793 0.937 1
1 1043 . 5 1 1 A 97 97 GLU HA H 97 4.360 4.553 -0.193 1
1 1048 . 5 1 1 A 97 97 GLU CA C 97 57.600 55.426 2.174 1
1 1049 . 5 1 1 A 97 97 GLU CB C 97 30.000 28.132 1.868 1
1 1051 . 5 1 1 A 97 97 GLU N N 97 126.200 127.148 -0.948 1
1 1052 . 5 1 1 A 98 98 ARG H H 98 8.300 8.201 0.099 1
1 1053 . 5 1 1 A 98 98 ARG HA H 98 4.180 4.386 -0.206 1
1 1061 . 5 1 1 A 98 98 ARG CA C 98 56.800 57.017 -0.217 1
1 1062 . 5 1 1 A 98 98 ARG CB C 98 30.700 29.613 1.087 1
1 1065 . 5 1 1 A 98 98 ARG N N 98 126.500 124.266 2.234 1
1 1067 . 5 1 1 A 99 99 GLN H H 99 8.810 8.541 0.269 1
1 1068 . 5 1 1 A 99 99 GLN HA H 99 4.370 4.352 0.018 1
1 1075 . 5 1 1 A 99 99 GLN CA C 99 55.600 56.427 -0.827 1
1 1076 . 5 1 1 A 99 99 GLN CB C 99 29.500 29.241 0.259 1
1 1078 . 5 1 1 A 99 99 GLN N N 99 123.700 124.261 -0.561 1
1 1080 . 5 1 1 A 100 100 THR H H 100 8.340 8.555 -0.215 1
1 1081 . 5 1 1 A 100 100 THR HA H 100 4.330 4.242 0.088 1
1 1086 . 5 1 1 A 100 100 THR CA C 100 61.700 63.612 -1.912 1
1 1087 . 5 1 1 A 100 100 THR CB C 100 69.800 68.638 1.162 1
1 1089 . 5 1 1 A 100 100 THR N N 100 116.700 121.344 -4.644 1
1 1090 . 5 1 1 A 101 101 VAL H H 101 8.290 8.685 -0.395 1
1 1091 . 5 1 1 A 101 101 VAL HA H 101 4.170 4.880 -0.710 1
1 1099 . 5 1 1 A 101 101 VAL CA C 101 61.900 59.684 2.216 1
1 1100 . 5 1 1 A 101 101 VAL CB C 101 32.800 34.309 -1.509 1
1 1103 . 5 1 1 A 101 101 VAL N N 101 122.900 127.633 -4.733 1
1 1104 . 5 1 1 A 102 102 SER H H 102 8.490 8.685 -0.195 1
1 1105 . 5 1 1 A 102 102 SER HA H 102 4.470 4.667 -0.197 1
1 1108 . 5 1 1 A 102 102 SER CA C 102 58.000 58.329 -0.329 1
1 1109 . 5 1 1 A 102 102 SER CB C 102 63.600 63.738 -0.138 1
1 1110 . 5 1 1 A 102 102 SER N N 102 120.700 122.479 -1.779 1
1 1111 . 5 1 1 A 103 103 VAL H H 103 8.240 7.574 0.666 1
1 1112 . 5 1 1 A 103 103 VAL HA H 103 4.420 4.524 -0.104 1
1 1120 . 5 1 1 A 103 103 VAL CA C 103 59.700 58.501 1.199 1
1 1121 . 5 1 1 A 103 103 VAL CB C 103 32.700 34.257 -1.557 1
1 1124 . 5 1 1 A 103 103 VAL N N 103 123.900 121.396 2.504 1
1 1125 . 5 1 1 A 104 104 PRO HA H 104 4.420 4.605 -0.185 1
1 1132 . 5 1 1 A 104 104 PRO CA C 104 63.000 62.488 0.512 1
1 1133 . 5 1 1 A 104 104 PRO CB C 104 32.000 29.058 2.942 1
1 1136 . 5 1 1 A 105 105 VAL H H 105 8.340 8.168 0.172 1
1 1137 . 5 1 1 A 105 105 VAL HA H 105 4.130 4.108 0.022 1
1 1145 . 5 1 1 A 105 105 VAL CA C 105 62.200 62.930 -0.730 1
1 1146 . 5 1 1 A 105 105 VAL CB C 105 32.600 32.460 0.140 1
1 1149 . 5 1 1 A 105 105 VAL N N 105 121.000 119.702 1.298 1
1 1150 . 5 1 1 A 106 106 THR H H 106 8.210 7.766 0.444 1
1 1151 . 5 1 1 A 106 106 THR HA H 106 4.380 4.518 -0.138 1
1 1156 . 5 1 1 A 106 106 THR CA C 106 61.400 62.353 -0.953 1
1 1157 . 5 1 1 A 106 106 THR CB C 106 70.000 68.789 1.211 1
1 1159 . 5 1 1 A 106 106 THR N N 106 118.700 117.588 1.112 1
1 1160 . 5 1 1 A 107 107 VAL H H 107 8.280 8.806 -0.526 1
1 1161 . 5 1 1 A 107 107 VAL HA H 107 4.050 4.061 -0.011 1
1 1169 . 5 1 1 A 107 107 VAL CA C 107 62.600 64.169 -1.569 1
1 1170 . 5 1 1 A 107 107 VAL CB C 107 32.600 32.337 0.263 1
1 1173 . 5 1 1 A 107 107 VAL N N 107 122.700 127.522 -4.822 1
1 1174 . 5 1 1 A 108 108 GLU H H 108 8.500 8.002 0.498 1
1 1175 . 5 1 1 A 108 108 GLU HA H 108 4.230 4.233 -0.003 1
1 1180 . 5 1 1 A 108 108 GLU CA C 108 56.600 57.097 -0.497 1
1 1181 . 5 1 1 A 108 108 GLU CB C 108 30.000 28.642 1.358 1
1 1183 . 5 1 1 A 108 108 GLU N N 108 124.100 119.591 4.509 1
1 1184 . 5 1 1 A 109 109 MET H H 109 8.570 8.557 0.013 1
1 1185 . 5 1 1 A 109 109 MET HA H 109 4.460 4.714 -0.254 1
1 1188 . 5 1 1 A 109 109 MET CA C 109 55.300 54.841 0.459 1
1 1189 . 5 1 1 A 109 109 MET CB C 109 26.800 32.175 -5.375 1
1 1190 . 5 1 1 A 109 109 MET N N 109 121.300 123.653 -2.353 1
1 1191 . 5 1 1 A 110 110 ILE H H 110 8.280 8.877 -0.597 1
1 1192 . 5 1 1 A 110 110 ILE HA H 110 4.080 5.068 -0.988 1
1 1202 . 5 1 1 A 110 110 ILE CA C 110 61.400 58.855 2.545 1
1 1203 . 5 1 1 A 110 110 ILE CB C 110 38.700 41.581 -2.881 1
1 1207 . 5 1 1 A 110 110 ILE N N 110 122.600 122.397 0.203 1
1 1208 . 5 1 1 A 111 111 ASN H H 111 8.590 8.618 -0.028 1
1 1209 . 5 1 1 A 111 111 ASN HA H 111 4.690 4.897 -0.207 1
1 1214 . 5 1 1 A 111 111 ASN CA C 111 53.000 52.808 0.192 1
1 1215 . 5 1 1 A 111 111 ASN CB C 111 38.600 38.507 0.093 1
1 1216 . 5 1 1 A 111 111 ASN N N 111 122.800 122.762 0.038 1
1 1218 . 5 1 1 A 112 112 LEU H H 112 8.340 8.778 -0.438 1
1 1219 . 5 1 1 A 112 112 LEU HA H 112 4.240 4.274 -0.034 1
1 1229 . 5 1 1 A 112 112 LEU CA C 112 55.400 54.096 1.304 1
1 1230 . 5 1 1 A 112 112 LEU CB C 112 42.100 40.312 1.788 1
1 1 . 6 1 1 A 3 3 THR HA H 3 4.250 4.276 -0.026 1
1 6 . 6 1 1 A 3 3 THR CA C 3 62.000 62.485 -0.485 1
1 7 . 6 1 1 A 3 3 THR CB C 3 69.700 68.754 0.946 1
1 9 . 6 1 1 A 4 4 PHE H H 4 8.440 8.476 -0.036 1
1 10 . 6 1 1 A 4 4 PHE HA H 4 4.650 4.941 -0.291 1
1 17 . 6 1 1 A 4 4 PHE CA C 4 57.700 57.987 -0.287 1
1 18 . 6 1 1 A 4 4 PHE CB C 4 39.400 42.564 -3.164 1
1 21 . 6 1 1 A 4 4 PHE N N 4 122.400 122.433 -0.033 1
1 22 . 6 1 1 A 5 5 ASP H H 5 8.500 7.928 0.572 1
1 23 . 6 1 1 A 5 5 ASP HA H 5 4.600 4.777 -0.177 1
1 26 . 6 1 1 A 5 5 ASP CA C 5 53.900 52.034 1.866 1
1 27 . 6 1 1 A 5 5 ASP CB C 5 40.700 40.812 -0.112 1
1 28 . 6 1 1 A 5 5 ASP N N 5 121.800 127.393 -5.593 1
1 29 . 6 1 1 A 6 6 HIS H H 6 8.240 7.793 0.447 1
1 30 . 6 1 1 A 6 6 HIS HA H 6 4.780 4.651 0.129 1
1 34 . 6 1 1 A 6 6 HIS CA C 6 55.300 56.995 -1.695 1
1 35 . 6 1 1 A 6 6 HIS CB C 6 31.500 28.639 2.861 1
1 37 . 6 1 1 A 6 6 HIS N N 6 120.400 122.256 -1.856 1
1 38 . 6 1 1 A 7 7 GLY H H 7 8.660 8.726 -0.066 1
1 39 . 6 1 1 A 7 7 GLY HA2 H 7 4.500 4.387 0.113 1
1 40 . 6 1 1 A 7 7 GLY HA3 H 7 3.580 4.421 -0.841 1
1 41 . 6 1 1 A 7 7 GLY CA C 7 44.200 45.474 -1.274 1
1 42 . 6 1 1 A 7 7 GLY N N 7 109.200 109.929 -0.729 1
1 43 . 6 1 1 A 8 8 ASN H H 8 8.040 8.671 -0.631 1
1 44 . 6 1 1 A 8 8 ASN HA H 8 5.500 6.083 -0.583 1
1 49 . 6 1 1 A 8 8 ASN CA C 8 52.600 51.772 0.828 1
1 50 . 6 1 1 A 8 8 ASN CB C 8 42.700 42.006 0.694 1
1 51 . 6 1 1 A 8 8 ASN N N 8 115.100 119.127 -4.027 1
1 53 . 6 1 1 A 9 9 LEU H H 9 8.850 9.023 -0.173 1
1 54 . 6 1 1 A 9 9 LEU HA H 9 4.530 4.854 -0.324 1
1 64 . 6 1 1 A 9 9 LEU CA C 9 54.700 54.002 0.698 1
1 65 . 6 1 1 A 9 9 LEU CB C 9 47.000 45.827 1.173 1
1 69 . 6 1 1 A 9 9 LEU N N 9 123.500 124.204 -0.704 1
1 70 . 6 1 1 A 10 10 SER H H 10 8.850 8.606 0.244 1
1 71 . 6 1 1 A 10 10 SER HA H 10 5.030 5.088 -0.058 1
1 74 . 6 1 1 A 10 10 SER CA C 10 57.000 56.632 0.368 1
1 75 . 6 1 1 A 10 10 SER CB C 10 63.900 64.145 -0.245 1
1 76 . 6 1 1 A 10 10 SER N N 10 121.800 117.772 4.028 1
1 77 . 6 1 1 A 11 11 LEU H H 11 8.820 8.481 0.339 1
1 78 . 6 1 1 A 11 11 LEU HA H 11 4.460 4.279 0.181 1
1 88 . 6 1 1 A 11 11 LEU CA C 11 54.400 55.889 -1.489 1
1 89 . 6 1 1 A 11 11 LEU CB C 11 41.900 42.956 -1.056 1
1 93 . 6 1 1 A 11 11 LEU N N 11 127.300 125.967 1.333 1
1 94 . 6 1 1 A 12 12 GLY H H 12 8.140 7.823 0.317 1
1 95 . 6 1 1 A 12 12 GLY HA2 H 12 3.720 4.088 -0.368 1
1 96 . 6 1 1 A 12 12 GLY HA3 H 12 4.080 4.107 -0.027 1
1 97 . 6 1 1 A 12 12 GLY CA C 12 44.700 44.760 -0.060 1
1 98 . 6 1 1 A 12 12 GLY N N 12 108.000 106.023 1.977 1
1 99 . 6 1 1 A 13 13 GLU H H 13 8.210 8.314 -0.104 1
1 100 . 6 1 1 A 13 13 GLU HA H 13 4.560 5.602 -1.042 1
1 105 . 6 1 1 A 13 13 GLU CA C 13 55.700 55.659 0.041 1
1 106 . 6 1 1 A 13 13 GLU CB C 13 30.300 30.457 -0.157 1
1 108 . 6 1 1 A 13 13 GLU N N 13 119.000 120.350 -1.350 1
1 109 . 6 1 1 A 14 14 LEU H H 14 9.360 9.247 0.113 1
1 110 . 6 1 1 A 14 14 LEU HA H 14 4.720 4.944 -0.224 1
1 120 . 6 1 1 A 14 14 LEU CA C 14 53.400 53.702 -0.302 1
1 121 . 6 1 1 A 14 14 LEU CB C 14 44.200 43.889 0.311 1
1 125 . 6 1 1 A 14 14 LEU N N 14 126.700 126.480 0.220 1
1 126 . 6 1 1 A 15 15 GLU H H 15 8.680 8.529 0.151 1
1 127 . 6 1 1 A 15 15 GLU HA H 15 4.240 4.503 -0.263 1
1 132 . 6 1 1 A 15 15 GLU CA C 15 56.900 56.418 0.482 1
1 133 . 6 1 1 A 15 15 GLU CB C 15 29.900 30.417 -0.517 1
1 135 . 6 1 1 A 15 15 GLU N N 15 120.600 122.260 -1.660 1
1 136 . 6 1 1 A 16 16 LEU H H 16 7.740 8.041 -0.301 1
1 137 . 6 1 1 A 16 16 LEU HA H 16 4.360 4.725 -0.365 1
1 147 . 6 1 1 A 16 16 LEU CA C 16 54.000 54.456 -0.456 1
1 148 . 6 1 1 A 16 16 LEU CB C 16 43.300 43.045 0.255 1
1 152 . 6 1 1 A 16 16 LEU N N 16 125.200 126.165 -0.965 1
1 153 . 6 1 1 A 17 17 THR H H 17 8.500 9.003 -0.503 1
1 154 . 6 1 1 A 17 17 THR HA H 17 4.420 5.063 -0.643 1
1 159 . 6 1 1 A 17 17 THR CA C 17 63.100 62.055 1.045 1
1 160 . 6 1 1 A 17 17 THR CB C 17 69.600 69.903 -0.303 1
1 162 . 6 1 1 A 17 17 THR N N 17 127.300 124.423 2.877 1
1 163 . 6 1 1 A 18 18 VAL H H 18 8.840 9.199 -0.359 1
1 164 . 6 1 1 A 18 18 VAL HA H 18 4.490 4.568 -0.078 1
1 172 . 6 1 1 A 18 18 VAL CA C 18 61.100 60.978 0.122 1
1 173 . 6 1 1 A 18 18 VAL CB C 18 33.300 33.377 -0.077 1
1 176 . 6 1 1 A 18 18 VAL N N 18 127.000 128.152 -1.152 1
1 177 . 6 1 1 A 19 19 LEU H H 19 8.830 8.643 0.187 1
1 178 . 6 1 1 A 19 19 LEU HA H 19 4.920 5.019 -0.099 1
1 188 . 6 1 1 A 19 19 LEU CA C 19 53.400 53.538 -0.138 1
1 189 . 6 1 1 A 19 19 LEU CB C 19 41.200 43.934 -2.734 1
1 193 . 6 1 1 A 19 19 LEU N N 19 128.500 129.404 -0.904 1
1 194 . 6 1 1 A 20 20 TYR H H 20 8.470 8.938 -0.468 1
1 195 . 6 1 1 A 20 20 TYR HA H 20 4.280 4.813 -0.533 1
1 202 . 6 1 1 A 20 20 TYR CA C 20 55.600 57.719 -2.119 1
1 203 . 6 1 1 A 20 20 TYR CB C 20 38.200 40.610 -2.410 1
1 206 . 6 1 1 A 20 20 TYR N N 20 120.300 125.874 -5.574 1
1 207 . 6 1 1 A 21 21 ASP H H 21 8.920 7.981 0.939 1
1 208 . 6 1 1 A 21 21 ASP HA H 21 4.640 5.253 -0.613 1
1 211 . 6 1 1 A 21 21 ASP CA C 21 53.000 52.837 0.163 1
1 212 . 6 1 1 A 21 21 ASP CB C 21 39.300 43.394 -4.094 1
1 213 . 6 1 1 A 21 21 ASP N N 21 118.600 120.004 -1.404 1
1 214 . 6 1 1 A 22 22 GLU H H 22 7.930 9.155 -1.225 1
1 215 . 6 1 1 A 22 22 GLU HA H 22 4.250 4.114 0.136 1
1 220 . 6 1 1 A 22 22 GLU CA C 22 57.000 59.009 -2.009 1
1 221 . 6 1 1 A 22 22 GLU CB C 22 29.000 29.416 -0.416 1
1 223 . 6 1 1 A 22 22 GLU N N 22 126.600 123.992 2.608 1
1 224 . 6 1 1 A 23 23 GLU H H 23 8.060 8.164 -0.104 1
1 225 . 6 1 1 A 23 23 GLU HA H 23 4.130 4.069 0.061 1
1 230 . 6 1 1 A 23 23 GLU CA C 23 57.800 59.309 -1.509 1
1 231 . 6 1 1 A 23 23 GLU CB C 23 29.500 29.194 0.306 1
1 233 . 6 1 1 A 23 23 GLU N N 23 117.800 119.662 -1.862 1
1 234 . 6 1 1 A 24 24 ARG H H 24 7.070 7.641 -0.571 1
1 235 . 6 1 1 A 24 24 ARG HA H 24 4.170 4.167 0.003 1
1 243 . 6 1 1 A 24 24 ARG CA C 24 56.500 57.243 -0.743 1
1 244 . 6 1 1 A 24 24 ARG CB C 24 33.500 32.406 1.094 1
1 247 . 6 1 1 A 24 24 ARG N N 24 116.700 117.160 -0.460 1
1 249 . 6 1 1 A 25 25 TYR H H 25 8.150 7.519 0.631 1
1 250 . 6 1 1 A 25 25 TYR HA H 25 5.470 5.369 0.101 1
1 257 . 6 1 1 A 25 25 TYR CA C 25 56.900 56.684 0.216 1
1 258 . 6 1 1 A 25 25 TYR CB C 25 43.100 42.881 0.219 1
1 261 . 6 1 1 A 25 25 TYR N N 25 116.800 115.662 1.138 1
1 262 . 6 1 1 A 26 26 ASP H H 26 9.120 9.430 -0.310 1
1 263 . 6 1 1 A 26 26 ASP HA H 26 5.250 5.655 -0.405 1
1 266 . 6 1 1 A 26 26 ASP CA C 26 52.400 52.492 -0.092 1
1 267 . 6 1 1 A 26 26 ASP CB C 26 44.500 44.838 -0.338 1
1 268 . 6 1 1 A 26 26 ASP N N 26 116.900 121.562 -4.662 1
1 269 . 6 1 1 A 27 27 ILE H H 27 8.640 8.996 -0.356 1
1 270 . 6 1 1 A 27 27 ILE HA H 27 4.100 4.157 -0.057 1
1 280 . 6 1 1 A 27 27 ILE CA C 27 61.400 61.456 -0.056 1
1 281 . 6 1 1 A 27 27 ILE CB C 27 38.600 36.971 1.629 1
1 285 . 6 1 1 A 27 27 ILE N N 27 121.200 124.285 -3.085 1
1 286 . 6 1 1 A 28 28 VAL H H 28 8.840 9.082 -0.242 1
1 287 . 6 1 1 A 28 28 VAL HA H 28 3.930 4.101 -0.171 1
1 295 . 6 1 1 A 28 28 VAL CA C 28 63.800 63.886 -0.086 1
1 296 . 6 1 1 A 28 28 VAL CB C 28 32.900 32.337 0.563 1
1 299 . 6 1 1 A 28 28 VAL N N 28 128.700 129.245 -0.545 1
1 300 . 6 1 1 A 29 29 GLU H H 29 7.180 7.405 -0.225 1
1 301 . 6 1 1 A 29 29 GLU HA H 29 4.490 4.805 -0.315 1
1 306 . 6 1 1 A 29 29 GLU CA C 29 55.200 55.422 -0.222 1
1 307 . 6 1 1 A 29 29 GLU CB C 29 32.900 33.423 -0.523 1
1 309 . 6 1 1 A 29 29 GLU N N 29 116.000 119.492 -3.492 1
1 310 . 6 1 1 A 30 30 GLN H H 30 8.760 8.588 0.172 1
1 311 . 6 1 1 A 30 30 GLN HA H 30 5.450 4.939 0.511 1
1 314 . 6 1 1 A 30 30 GLN CA C 30 54.200 55.469 -1.269 1
1 315 . 6 1 1 A 30 30 GLN CB C 30 33.100 33.258 -0.158 1
1 316 . 6 1 1 A 30 30 GLN N N 30 117.200 123.058 -5.858 1
1 317 . 6 1 1 A 31 31 THR H H 31 8.200 8.477 -0.277 1
1 318 . 6 1 1 A 31 31 THR HA H 31 4.160 4.188 -0.028 1
1 323 . 6 1 1 A 31 31 THR CA C 31 64.500 63.915 0.585 1
1 324 . 6 1 1 A 31 31 THR CB C 31 70.300 68.389 1.911 1
1 326 . 6 1 1 A 31 31 THR N N 31 119.400 120.802 -1.402 1
1 327 . 6 1 1 A 32 32 GLU H H 32 9.230 8.845 0.385 1
1 328 . 6 1 1 A 32 32 GLU HA H 32 4.170 4.181 -0.011 1
1 333 . 6 1 1 A 32 32 GLU CA C 32 60.000 59.191 0.809 1
1 334 . 6 1 1 A 32 32 GLU CB C 32 31.000 30.444 0.556 1
1 336 . 6 1 1 A 32 32 GLU N N 32 129.600 127.380 2.220 1
1 337 . 6 1 1 A 33 33 THR H H 33 7.510 7.967 -0.457 1
1 338 . 6 1 1 A 33 33 THR HA H 33 5.320 5.090 0.230 1
1 343 . 6 1 1 A 33 33 THR CA C 33 58.500 60.519 -2.019 1
1 344 . 6 1 1 A 33 33 THR CB C 33 73.100 71.874 1.226 1
1 346 . 6 1 1 A 33 33 THR N N 33 107.500 109.101 -1.601 1
1 347 . 6 1 1 A 34 34 VAL H H 34 8.700 8.795 -0.095 1
1 348 . 6 1 1 A 34 34 VAL HA H 34 4.670 4.949 -0.279 1
1 356 . 6 1 1 A 34 34 VAL CA C 34 59.200 58.754 0.446 1
1 357 . 6 1 1 A 34 34 VAL CB C 34 35.200 35.266 -0.066 1
1 360 . 6 1 1 A 34 34 VAL N N 34 112.000 118.394 -6.394 1
1 361 . 6 1 1 A 35 35 GLN H H 35 8.930 8.820 0.110 1
1 362 . 6 1 1 A 35 35 GLN HA H 35 4.790 5.122 -0.332 1
1 369 . 6 1 1 A 35 35 GLN CA C 35 54.800 54.948 -0.148 1
1 370 . 6 1 1 A 35 35 GLN CB C 35 29.900 30.227 -0.327 1
1 372 . 6 1 1 A 35 35 GLN N N 35 123.200 123.008 0.192 1
1 374 . 6 1 1 A 36 36 VAL H H 36 7.940 8.893 -0.953 1
1 375 . 6 1 1 A 36 36 VAL HA H 36 4.850 5.096 -0.246 1
1 383 . 6 1 1 A 36 36 VAL CA C 36 61.300 59.884 1.416 1
1 384 . 6 1 1 A 36 36 VAL CB C 36 34.200 34.412 -0.212 1
1 387 . 6 1 1 A 36 36 VAL N N 36 124.300 126.227 -1.927 1
1 388 . 6 1 1 A 37 37 ASP H H 37 8.670 9.271 -0.601 1
1 389 . 6 1 1 A 37 37 ASP HA H 37 5.240 5.296 -0.056 1
1 392 . 6 1 1 A 37 37 ASP CA C 37 53.000 52.661 0.339 1
1 393 . 6 1 1 A 37 37 ASP CB C 37 44.700 44.746 -0.046 1
1 394 . 6 1 1 A 37 37 ASP N N 37 126.900 129.723 -2.823 1
1 395 . 6 1 1 A 38 38 LEU H H 38 8.850 9.042 -0.192 1
1 396 . 6 1 1 A 38 38 LEU HA H 38 5.160 4.971 0.189 1
1 406 . 6 1 1 A 38 38 LEU CA C 38 52.400 53.334 -0.934 1
1 407 . 6 1 1 A 38 38 LEU CB C 38 46.100 43.353 2.747 1
1 411 . 6 1 1 A 38 38 LEU N N 38 119.100 125.845 -6.745 1
1 412 . 6 1 1 A 39 39 GLU H H 39 8.380 9.158 -0.778 1
1 413 . 6 1 1 A 39 39 GLU HA H 39 5.210 5.826 -0.616 1
1 418 . 6 1 1 A 39 39 GLU CA C 39 54.600 54.717 -0.117 1
1 419 . 6 1 1 A 39 39 GLU CB C 39 33.900 33.359 0.541 1
1 421 . 6 1 1 A 39 39 GLU N N 39 120.800 124.542 -3.742 1
1 422 . 6 1 1 A 40 40 GLY H H 40 8.110 8.295 -0.185 1
1 423 . 6 1 1 A 40 40 GLY HA2 H 40 4.230 4.202 0.028 1
1 424 . 6 1 1 A 40 40 GLY HA3 H 40 3.730 4.244 -0.514 1
1 425 . 6 1 1 A 40 40 GLY CA C 40 45.000 45.185 -0.185 1
1 426 . 6 1 1 A 40 40 GLY N N 40 110.000 111.645 -1.645 1
1 427 . 6 1 1 A 41 41 PRO HA H 41 4.380 4.512 -0.132 1
1 434 . 6 1 1 A 41 41 PRO CA C 41 62.200 63.126 -0.926 1
1 435 . 6 1 1 A 41 41 PRO CB C 41 32.400 31.786 0.614 1
1 438 . 6 1 1 A 42 42 ARG H H 42 9.020 8.587 0.433 1
1 439 . 6 1 1 A 42 42 ARG HA H 42 3.790 4.057 -0.267 1
1 446 . 6 1 1 A 42 42 ARG CA C 42 60.400 58.877 1.523 1
1 447 . 6 1 1 A 42 42 ARG CB C 42 29.900 29.741 0.159 1
1 450 . 6 1 1 A 42 42 ARG N N 42 125.500 124.108 1.392 1
1 451 . 6 1 1 A 43 43 GLY H H 43 9.310 8.460 0.850 1
1 452 . 6 1 1 A 43 43 GLY HA2 H 43 3.890 3.776 0.114 1
1 453 . 6 1 1 A 43 43 GLY HA3 H 43 3.890 3.785 0.105 1
1 454 . 6 1 1 A 43 43 GLY CA C 43 47.000 47.565 -0.565 1
1 455 . 6 1 1 A 43 43 GLY N N 43 107.200 109.174 -1.974 1
1 456 . 6 1 1 A 44 44 VAL H H 44 6.930 7.855 -0.925 1
1 457 . 6 1 1 A 44 44 VAL HA H 44 3.800 3.811 -0.011 1
1 465 . 6 1 1 A 44 44 VAL CA C 44 65.100 66.011 -0.911 1
1 466 . 6 1 1 A 44 44 VAL CB C 44 32.000 31.920 0.080 1
1 469 . 6 1 1 A 44 44 VAL N N 44 121.100 122.604 -1.504 1
1 470 . 6 1 1 A 45 45 LEU H H 45 7.830 7.740 0.090 1
1 471 . 6 1 1 A 45 45 LEU HA H 45 3.890 4.084 -0.194 1
1 481 . 6 1 1 A 45 45 LEU CA C 45 58.100 57.953 0.147 1
1 482 . 6 1 1 A 45 45 LEU CB C 45 41.800 41.285 0.515 1
1 486 . 6 1 1 A 45 45 LEU N N 45 120.700 119.783 0.917 1
1 487 . 6 1 1 A 46 46 THR H H 46 8.340 8.328 0.012 1
1 488 . 6 1 1 A 46 46 THR HA H 46 3.850 4.026 -0.176 1
1 493 . 6 1 1 A 46 46 THR CA C 46 66.800 66.977 -0.177 1
1 494 . 6 1 1 A 46 46 THR CB C 46 68.800 68.033 0.767 1
1 496 . 6 1 1 A 46 46 THR N N 46 114.900 116.109 -1.209 1
1 497 . 6 1 1 A 47 47 VAL H H 47 7.210 7.728 -0.518 1
1 498 . 6 1 1 A 47 47 VAL HA H 47 3.820 3.761 0.059 1
1 506 . 6 1 1 A 47 47 VAL CA C 47 65.600 66.757 -1.157 1
1 507 . 6 1 1 A 47 47 VAL CB C 47 31.900 31.652 0.248 1
1 510 . 6 1 1 A 47 47 VAL N N 47 119.600 121.363 -1.763 1
1 511 . 6 1 1 A 48 48 PHE H H 48 8.140 8.620 -0.480 1
1 512 . 6 1 1 A 48 48 PHE HA H 48 4.210 4.135 0.075 1
1 520 . 6 1 1 A 48 48 PHE CA C 48 61.100 60.852 0.248 1
1 521 . 6 1 1 A 48 48 PHE CB C 48 39.200 39.256 -0.056 1
1 525 . 6 1 1 A 48 48 PHE N N 48 120.600 120.510 0.090 1
1 526 . 6 1 1 A 49 49 ARG H H 49 8.150 8.257 -0.107 1
1 527 . 6 1 1 A 49 49 ARG HA H 49 3.710 4.129 -0.419 1
1 534 . 6 1 1 A 49 49 ARG CA C 49 58.500 58.217 0.283 1
1 535 . 6 1 1 A 49 49 ARG CB C 49 30.000 29.918 0.082 1
1 538 . 6 1 1 A 49 49 ARG N N 49 117.500 118.002 -0.502 1
1 539 . 6 1 1 A 50 50 PHE H H 50 7.270 7.683 -0.413 1
1 540 . 6 1 1 A 50 50 PHE HA H 50 4.620 4.531 0.089 1
1 548 . 6 1 1 A 50 50 PHE CA C 50 57.700 58.343 -0.643 1
1 549 . 6 1 1 A 50 50 PHE CB C 50 39.600 39.761 -0.161 1
1 553 . 6 1 1 A 50 50 PHE N N 50 115.500 115.525 -0.025 1
1 554 . 6 1 1 A 51 51 ALA H H 51 7.620 7.124 0.496 1
1 555 . 6 1 1 A 51 51 ALA HA H 51 4.320 4.439 -0.119 1
1 559 . 6 1 1 A 51 51 ALA CA C 51 51.700 50.697 1.003 1
1 560 . 6 1 1 A 51 51 ALA CB C 51 19.300 20.252 -0.952 1
1 561 . 6 1 1 A 51 51 ALA N N 51 124.200 121.467 2.733 1
1 562 . 6 1 1 A 52 52 ARG H H 52 8.570 8.506 0.064 1
1 563 . 6 1 1 A 52 52 ARG HA H 52 4.270 4.457 -0.187 1
1 570 . 6 1 1 A 52 52 ARG CA C 52 54.700 54.419 0.281 1
1 571 . 6 1 1 A 52 52 ARG CB C 52 29.300 29.448 -0.148 1
1 574 . 6 1 1 A 52 52 ARG N N 52 123.500 121.961 1.539 1
1 575 . 6 1 1 A 53 53 PRO HA H 53 4.240 4.176 0.064 1
1 582 . 6 1 1 A 53 53 PRO CA C 53 63.600 63.165 0.435 1
1 583 . 6 1 1 A 53 53 PRO CB C 53 31.600 31.882 -0.282 1
1 586 . 6 1 1 A 54 54 SER H H 54 8.100 8.537 -0.437 1
1 587 . 6 1 1 A 54 54 SER HA H 54 4.390 4.596 -0.206 1
1 590 . 6 1 1 A 54 54 SER CA C 54 57.200 57.310 -0.110 1
1 591 . 6 1 1 A 54 54 SER CB C 54 63.100 64.921 -1.821 1
1 592 . 6 1 1 A 54 54 SER N N 54 117.200 118.153 -0.953 1
1 593 . 6 1 1 A 55 55 TYR H H 55 6.640 7.061 -0.421 1
1 594 . 6 1 1 A 55 55 TYR HA H 55 5.030 5.411 -0.381 1
1 601 . 6 1 1 A 55 55 TYR CA C 55 53.900 55.645 -1.745 1
1 602 . 6 1 1 A 55 55 TYR CB C 55 39.200 41.632 -2.432 1
1 605 . 6 1 1 A 55 55 TYR N N 55 119.200 119.183 0.017 1
1 606 . 6 1 1 A 56 56 GLU H H 56 8.890 9.168 -0.278 1
1 607 . 6 1 1 A 56 56 GLU HA H 56 4.740 5.190 -0.450 1
1 612 . 6 1 1 A 56 56 GLU CA C 56 55.700 54.812 0.888 1
1 613 . 6 1 1 A 56 56 GLU CB C 56 35.000 34.477 0.523 1
1 615 . 6 1 1 A 56 56 GLU N N 56 118.800 120.032 -1.232 1
1 616 . 6 1 1 A 57 57 VAL H H 57 8.830 8.505 0.325 1
1 617 . 6 1 1 A 57 57 VAL HA H 57 5.370 4.824 0.546 1
1 625 . 6 1 1 A 57 57 VAL CA C 57 59.900 61.355 -1.455 1
1 626 . 6 1 1 A 57 57 VAL CB C 57 33.300 33.545 -0.245 1
1 629 . 6 1 1 A 57 57 VAL N N 57 117.800 121.737 -3.937 1
1 630 . 6 1 1 A 58 58 PHE H H 58 8.870 8.923 -0.053 1
1 631 . 6 1 1 A 58 58 PHE HA H 58 6.090 5.548 0.542 1
1 634 . 6 1 1 A 58 58 PHE CA C 58 55.600 56.761 -1.161 1
1 635 . 6 1 1 A 58 58 PHE CB C 58 42.700 43.157 -0.457 1
1 636 . 6 1 1 A 58 58 PHE N N 58 120.600 128.140 -7.540 1
1 637 . 6 1 1 A 59 59 VAL H H 59 8.270 8.256 0.014 1
1 638 . 6 1 1 A 59 59 VAL HA H 59 4.730 4.584 0.146 1
1 646 . 6 1 1 A 59 59 VAL CA C 59 58.500 59.556 -1.056 1
1 647 . 6 1 1 A 59 59 VAL CB C 59 34.800 35.641 -0.841 1
1 650 . 6 1 1 A 59 59 VAL N N 59 108.700 120.814 -12.114 1
1 651 . 6 1 1 A 60 60 ASP H H 60 9.360 8.769 0.591 1
1 652 . 6 1 1 A 60 60 ASP HA H 60 5.080 4.856 0.224 1
1 655 . 6 1 1 A 60 60 ASP CA C 60 52.700 52.571 0.129 1
1 656 . 6 1 1 A 60 60 ASP CB C 60 41.100 42.909 -1.809 1
1 657 . 6 1 1 A 60 60 ASP N N 60 123.000 125.536 -2.536 1
1 658 . 6 1 1 A 61 61 LEU H H 61 9.230 8.166 1.064 1
1 659 . 6 1 1 A 61 61 LEU HA H 61 4.670 4.712 -0.042 1
1 669 . 6 1 1 A 61 61 LEU CA C 61 53.300 53.713 -0.413 1
1 670 . 6 1 1 A 61 61 LEU CB C 61 40.900 42.654 -1.754 1
1 674 . 6 1 1 A 61 61 LEU N N 61 128.600 127.687 0.913 1
1 675 . 6 1 1 A 62 62 THR H H 62 8.720 7.985 0.735 1
1 676 . 6 1 1 A 62 62 THR HA H 62 3.590 4.494 -0.904 1
1 681 . 6 1 1 A 62 62 THR CA C 62 67.000 64.841 2.159 1
1 682 . 6 1 1 A 62 62 THR CB C 62 69.100 68.926 0.174 1
1 684 . 6 1 1 A 62 62 THR N N 62 115.800 113.818 1.982 1
1 685 . 6 1 1 A 63 63 GLU H H 63 8.490 7.712 0.778 1
1 686 . 6 1 1 A 63 63 GLU HA H 63 4.530 4.508 0.022 1
1 691 . 6 1 1 A 63 63 GLU CA C 63 55.100 55.988 -0.888 1
1 692 . 6 1 1 A 63 63 GLU CB C 63 29.200 30.250 -1.050 1
1 694 . 6 1 1 A 63 63 GLU N N 63 118.800 120.259 -1.459 1
1 695 . 6 1 1 A 64 64 ALA H H 64 7.100 7.366 -0.266 1
1 696 . 6 1 1 A 64 64 ALA HA H 64 4.130 4.113 0.017 1
1 700 . 6 1 1 A 64 64 ALA CA C 64 51.500 51.599 -0.099 1
1 701 . 6 1 1 A 64 64 ALA CB C 64 20.900 20.292 0.608 1
1 702 . 6 1 1 A 64 64 ALA N N 64 123.700 123.029 0.671 1
1 703 . 6 1 1 A 65 65 GLY H H 65 7.800 8.099 -0.299 1
1 704 . 6 1 1 A 65 65 GLY HA2 H 65 4.180 4.021 0.159 1
1 705 . 6 1 1 A 65 65 GLY HA3 H 65 3.540 4.059 -0.519 1
1 706 . 6 1 1 A 65 65 GLY CA C 65 42.600 44.276 -1.676 1
1 707 . 6 1 1 A 65 65 GLY N N 65 106.800 106.400 0.400 1
1 708 . 6 1 1 A 66 66 GLU H H 66 8.490 8.382 0.108 1
1 709 . 6 1 1 A 66 66 GLU HA H 66 3.750 4.226 -0.476 1
1 714 . 6 1 1 A 66 66 GLU CA C 66 57.400 57.568 -0.168 1
1 715 . 6 1 1 A 66 66 GLU CB C 66 30.300 29.773 0.527 1
1 717 . 6 1 1 A 66 66 GLU N N 66 119.900 121.683 -1.783 1
1 718 . 6 1 1 A 67 67 GLY H H 67 8.470 8.100 0.370 1
1 719 . 6 1 1 A 67 67 GLY HA2 H 67 3.770 4.025 -0.255 1
1 720 . 6 1 1 A 67 67 GLY HA3 H 67 4.390 4.027 0.363 1
1 721 . 6 1 1 A 67 67 GLY CA C 67 43.400 44.231 -0.831 1
1 722 . 6 1 1 A 67 67 GLY N N 67 110.800 110.444 0.356 1
1 723 . 6 1 1 A 68 68 SER H H 68 8.250 8.274 -0.024 1
1 724 . 6 1 1 A 68 68 SER HA H 68 4.610 5.086 -0.476 1
1 727 . 6 1 1 A 68 68 SER CA C 68 57.700 58.104 -0.404 1
1 728 . 6 1 1 A 68 68 SER CB C 68 63.300 63.858 -0.558 1
1 729 . 6 1 1 A 68 68 SER N N 68 114.500 114.939 -0.439 1
1 730 . 6 1 1 A 69 69 HIS H H 69 8.780 9.108 -0.328 1
1 731 . 6 1 1 A 69 69 HIS HA H 69 4.790 5.283 -0.493 1
1 734 . 6 1 1 A 69 69 HIS CA C 69 55.300 54.509 0.791 1
1 735 . 6 1 1 A 69 69 HIS CB C 69 33.900 32.992 0.908 1
1 736 . 6 1 1 A 69 69 HIS N N 69 125.400 127.205 -1.805 1
1 737 . 6 1 1 A 70 70 THR H H 70 8.870 8.381 0.489 1
1 738 . 6 1 1 A 70 70 THR HA H 70 5.380 5.244 0.136 1
1 743 . 6 1 1 A 70 70 THR CA C 70 61.600 61.461 0.139 1
1 744 . 6 1 1 A 70 70 THR CB C 70 69.400 69.953 -0.553 1
1 746 . 6 1 1 A 70 70 THR N N 70 121.200 121.082 0.118 1
1 747 . 6 1 1 A 71 71 VAL H H 71 8.860 8.749 0.111 1
1 748 . 6 1 1 A 71 71 VAL HA H 71 4.730 4.952 -0.222 1
1 756 . 6 1 1 A 71 71 VAL CA C 71 58.900 58.828 0.072 1
1 757 . 6 1 1 A 71 71 VAL CB C 71 36.000 36.041 -0.041 1
1 760 . 6 1 1 A 71 71 VAL N N 71 122.100 119.823 2.277 1
1 761 . 6 1 1 A 72 72 ASP H H 72 8.610 8.443 0.167 1
1 762 . 6 1 1 A 72 72 ASP HA H 72 4.660 4.910 -0.250 1
1 765 . 6 1 1 A 72 72 ASP CA C 72 55.500 54.808 0.692 1
1 766 . 6 1 1 A 72 72 ASP CB C 72 40.800 41.388 -0.588 1
1 767 . 6 1 1 A 72 72 ASP N N 72 124.300 120.833 3.467 1
1 768 . 6 1 1 A 73 73 VAL H H 73 8.090 8.977 -0.887 1
1 769 . 6 1 1 A 73 73 VAL HA H 73 3.770 4.401 -0.631 1
1 777 . 6 1 1 A 73 73 VAL CA C 73 63.600 61.693 1.907 1
1 778 . 6 1 1 A 73 73 VAL CB C 73 31.600 32.461 -0.861 1
1 781 . 6 1 1 A 73 73 VAL N N 73 121.400 122.519 -1.119 1
1 782 . 6 1 1 A 74 74 GLU H H 74 8.900 8.843 0.057 1
1 783 . 6 1 1 A 74 74 GLU HA H 74 4.370 4.927 -0.557 1
1 788 . 6 1 1 A 74 74 GLU CA C 74 54.700 55.329 -0.629 1
1 789 . 6 1 1 A 74 74 GLU CB C 74 33.300 32.141 1.159 1
1 791 . 6 1 1 A 74 74 GLU N N 74 129.600 127.190 2.410 1
1 792 . 6 1 1 A 75 75 HIS H H 75 7.940 8.953 -1.013 1
1 793 . 6 1 1 A 75 75 HIS HA H 75 5.830 5.291 0.539 1
1 796 . 6 1 1 A 75 75 HIS CA C 75 54.100 54.084 0.016 1
1 797 . 6 1 1 A 75 75 HIS CB C 75 39.500 33.625 5.875 1
1 798 . 6 1 1 A 75 75 HIS N N 75 112.800 119.581 -6.781 1
1 799 . 6 1 1 A 76 76 ARG H H 76 9.210 8.741 0.469 1
1 800 . 6 1 1 A 76 76 ARG HA H 76 5.170 4.822 0.348 1
1 805 . 6 1 1 A 76 76 ARG CA C 76 55.300 54.907 0.393 1
1 806 . 6 1 1 A 76 76 ARG CB C 76 33.400 34.085 -0.685 1
1 808 . 6 1 1 A 76 76 ARG N N 76 117.100 122.073 -4.973 1
1 809 . 6 1 1 A 77 77 GLY H H 77 8.740 8.132 0.608 1
1 810 . 6 1 1 A 77 77 GLY HA2 H 77 4.410 4.080 0.330 1
1 811 . 6 1 1 A 77 77 GLY HA3 H 77 3.670 4.188 -0.518 1
1 812 . 6 1 1 A 77 77 GLY CA C 77 45.400 45.490 -0.090 1
1 813 . 6 1 1 A 77 77 GLY N N 77 107.400 114.024 -6.624 1
1 814 . 6 1 1 A 78 78 PHE H H 78 7.920 7.601 0.319 1
1 815 . 6 1 1 A 78 78 PHE HA H 78 4.450 4.789 -0.339 1
1 823 . 6 1 1 A 78 78 PHE CA C 78 54.200 54.790 -0.590 1
1 824 . 6 1 1 A 78 78 PHE CB C 78 41.000 39.876 1.124 1
1 828 . 6 1 1 A 78 78 PHE N N 78 120.200 118.446 1.754 1
1 829 . 6 1 1 A 79 79 PRO HA H 79 4.470 4.674 -0.204 1
1 836 . 6 1 1 A 79 79 PRO CA C 79 63.300 62.910 0.390 1
1 837 . 6 1 1 A 79 79 PRO CB C 79 32.200 31.980 0.220 1
1 840 . 6 1 1 A 80 80 GLY H H 80 8.820 8.690 0.130 1
1 841 . 6 1 1 A 80 80 GLY HA2 H 80 4.020 3.929 0.091 1
1 842 . 6 1 1 A 80 80 GLY HA3 H 80 3.890 4.009 -0.119 1
1 843 . 6 1 1 A 80 80 GLY CA C 80 46.600 46.612 -0.012 1
1 844 . 6 1 1 A 80 80 GLY N N 80 110.100 108.930 1.170 1
1 845 . 6 1 1 A 81 81 ASP H H 81 8.360 8.282 0.078 1
1 846 . 6 1 1 A 81 81 ASP HA H 81 4.560 4.726 -0.166 1
1 849 . 6 1 1 A 81 81 ASP CA C 81 53.800 54.431 -0.631 1
1 850 . 6 1 1 A 81 81 ASP CB C 81 40.300 41.726 -1.426 1
1 851 . 6 1 1 A 81 81 ASP N N 81 114.800 119.758 -4.958 1
1 852 . 6 1 1 A 82 82 LEU H H 82 7.400 7.382 0.018 1
1 853 . 6 1 1 A 82 82 LEU HA H 82 4.720 4.461 0.259 1
1 863 . 6 1 1 A 82 82 LEU CA C 82 52.800 54.418 -1.618 1
1 864 . 6 1 1 A 82 82 LEU CB C 82 42.900 42.055 0.845 1
1 868 . 6 1 1 A 82 82 LEU N N 82 115.500 122.269 -6.769 1
1 869 . 6 1 1 A 83 83 ALA H H 83 8.930 9.034 -0.104 1
1 870 . 6 1 1 A 83 83 ALA HA H 83 4.530 4.730 -0.200 1
1 874 . 6 1 1 A 83 83 ALA CA C 83 50.900 51.061 -0.161 1
1 875 . 6 1 1 A 83 83 ALA CB C 83 19.600 19.677 -0.077 1
1 876 . 6 1 1 A 83 83 ALA N N 83 124.900 123.870 1.030 1
1 877 . 6 1 1 A 84 84 VAL H H 84 8.570 8.969 -0.399 1
1 878 . 6 1 1 A 84 84 VAL HA H 84 3.930 4.412 -0.482 1
1 886 . 6 1 1 A 84 84 VAL CA C 84 61.300 61.867 -0.567 1
1 887 . 6 1 1 A 84 84 VAL CB C 84 32.800 32.010 0.790 1
1 890 . 6 1 1 A 84 84 VAL N N 84 126.800 124.136 2.664 1
1 891 . 6 1 1 A 85 85 THR H H 85 9.000 9.195 -0.195 1
1 892 . 6 1 1 A 85 85 THR HA H 85 4.440 4.779 -0.339 1
1 897 . 6 1 1 A 85 85 THR CA C 85 61.900 62.176 -0.276 1
1 898 . 6 1 1 A 85 85 THR CB C 85 70.100 70.026 0.074 1
1 900 . 6 1 1 A 85 85 THR N N 85 125.500 123.239 2.261 1
1 901 . 6 1 1 A 86 86 VAL H H 86 8.280 8.894 -0.614 1
1 902 . 6 1 1 A 86 86 VAL HA H 86 5.010 5.098 -0.088 1
1 910 . 6 1 1 A 86 86 VAL CA C 86 59.300 60.224 -0.924 1
1 911 . 6 1 1 A 86 86 VAL CB C 86 33.700 35.858 -2.158 1
1 914 . 6 1 1 A 86 86 VAL N N 86 123.200 125.989 -2.789 1
1 915 . 6 1 1 A 87 87 GLU H H 87 8.560 8.756 -0.196 1
1 916 . 6 1 1 A 87 87 GLU HA H 87 4.720 4.869 -0.149 1
1 921 . 6 1 1 A 87 87 GLU CA C 87 52.400 53.458 -1.058 1
1 922 . 6 1 1 A 87 87 GLU CB C 87 33.600 32.136 1.464 1
1 924 . 6 1 1 A 87 87 GLU N N 87 124.400 127.175 -2.775 1
1 925 . 6 1 1 A 88 88 PRO HA H 88 4.770 4.452 0.318 1
1 932 . 6 1 1 A 88 88 PRO CA C 88 62.800 63.510 -0.710 1
1 933 . 6 1 1 A 88 88 PRO CB C 88 34.300 32.198 2.102 1
1 936 . 6 1 1 A 89 89 ARG H H 89 8.200 8.931 -0.731 1
1 937 . 6 1 1 A 89 89 ARG HA H 89 4.050 4.360 -0.310 1
1 945 . 6 1 1 A 89 89 ARG CA C 89 57.300 57.178 0.122 1
1 946 . 6 1 1 A 89 89 ARG CB C 89 30.700 30.752 -0.052 1
1 949 . 6 1 1 A 89 89 ARG N N 89 114.400 120.046 -5.646 1
1 951 . 6 1 1 A 90 90 MET H H 90 7.750 7.633 0.117 1
1 952 . 6 1 1 A 90 90 MET HA H 90 5.060 5.257 -0.197 1
1 960 . 6 1 1 A 90 90 MET CA C 90 53.700 53.870 -0.170 1
1 961 . 6 1 1 A 90 90 MET CB C 90 34.700 34.026 0.674 1
1 964 . 6 1 1 A 90 90 MET N N 90 115.900 118.920 -3.020 1
1 965 . 6 1 1 A 91 91 ALA H H 91 9.020 9.377 -0.357 1
1 966 . 6 1 1 A 91 91 ALA HA H 91 4.640 5.222 -0.582 1
1 970 . 6 1 1 A 91 91 ALA CA C 91 49.300 50.064 -0.764 1
1 971 . 6 1 1 A 91 91 ALA CB C 91 23.600 22.435 1.165 1
1 972 . 6 1 1 A 91 91 ALA N N 91 123.200 125.620 -2.420 1
1 973 . 6 1 1 A 92 92 ARG H H 92 8.370 8.748 -0.378 1
1 974 . 6 1 1 A 92 92 ARG HA H 92 5.480 5.328 0.152 1
1 982 . 6 1 1 A 92 92 ARG CA C 92 54.000 54.703 -0.703 1
1 983 . 6 1 1 A 92 92 ARG CB C 92 32.600 32.704 -0.104 1
1 986 . 6 1 1 A 92 92 ARG N N 92 119.600 120.108 -0.508 1
1 988 . 6 1 1 A 93 93 VAL H H 93 8.920 8.907 0.013 1
1 989 . 6 1 1 A 93 93 VAL HA H 93 4.510 4.847 -0.337 1
1 997 . 6 1 1 A 93 93 VAL CA C 93 61.000 60.888 0.112 1
1 998 . 6 1 1 A 93 93 VAL CB C 93 36.900 35.094 1.806 1
1 1001 . 6 1 1 A 93 93 VAL N N 93 124.100 123.274 0.826 1
1 1002 . 6 1 1 A 94 94 GLN H H 94 8.930 9.354 -0.424 1
1 1003 . 6 1 1 A 94 94 GLN HA H 94 5.400 5.063 0.337 1
1 1010 . 6 1 1 A 94 94 GLN CA C 94 53.500 54.726 -1.226 1
1 1011 . 6 1 1 A 94 94 GLN CB C 94 30.300 31.177 -0.877 1
1 1013 . 6 1 1 A 94 94 GLN N N 94 127.900 128.190 -0.290 1
1 1015 . 6 1 1 A 95 95 LEU H H 95 8.870 9.032 -0.162 1
1 1016 . 6 1 1 A 95 95 LEU HA H 95 5.390 5.249 0.141 1
1 1026 . 6 1 1 A 95 95 LEU CA C 95 53.000 53.358 -0.358 1
1 1027 . 6 1 1 A 95 95 LEU CB C 95 44.800 42.555 2.245 1
1 1031 . 6 1 1 A 95 95 LEU N N 95 126.400 129.166 -2.766 1
1 1032 . 6 1 1 A 96 96 GLU H H 96 9.300 8.868 0.432 1
1 1033 . 6 1 1 A 96 96 GLU HA H 96 5.000 4.873 0.127 1
1 1038 . 6 1 1 A 96 96 GLU CA C 96 54.300 55.264 -0.964 1
1 1039 . 6 1 1 A 96 96 GLU CB C 96 33.800 34.015 -0.215 1
1 1041 . 6 1 1 A 96 96 GLU N N 96 122.700 124.060 -1.360 1
1 1042 . 6 1 1 A 97 97 GLU H H 97 9.730 8.985 0.745 1
1 1043 . 6 1 1 A 97 97 GLU HA H 97 4.360 4.118 0.242 1
1 1048 . 6 1 1 A 97 97 GLU CA C 97 57.600 57.753 -0.153 1
1 1049 . 6 1 1 A 97 97 GLU CB C 97 30.000 29.481 0.519 1
1 1051 . 6 1 1 A 97 97 GLU N N 97 126.200 127.170 -0.970 1
1 1052 . 6 1 1 A 98 98 ARG H H 98 8.300 8.871 -0.571 1
1 1053 . 6 1 1 A 98 98 ARG HA H 98 4.180 4.200 -0.020 1
1 1061 . 6 1 1 A 98 98 ARG CA C 98 56.800 56.956 -0.156 1
1 1062 . 6 1 1 A 98 98 ARG CB C 98 30.700 29.355 1.345 1
1 1065 . 6 1 1 A 98 98 ARG N N 98 126.500 126.700 -0.200 1
1 1067 . 6 1 1 A 99 99 GLN H H 99 8.810 8.735 0.075 1
1 1068 . 6 1 1 A 99 99 GLN HA H 99 4.370 5.185 -0.815 1
1 1075 . 6 1 1 A 99 99 GLN CA C 99 55.600 54.424 1.176 1
1 1076 . 6 1 1 A 99 99 GLN CB C 99 29.500 32.031 -2.531 1
1 1078 . 6 1 1 A 99 99 GLN N N 99 123.700 126.005 -2.305 1
1 1080 . 6 1 1 A 100 100 THR H H 100 8.340 8.692 -0.352 1
1 1081 . 6 1 1 A 100 100 THR HA H 100 4.330 4.720 -0.390 1
1 1086 . 6 1 1 A 100 100 THR CA C 100 61.700 61.635 0.065 1
1 1087 . 6 1 1 A 100 100 THR CB C 100 69.800 70.070 -0.270 1
1 1089 . 6 1 1 A 100 100 THR N N 100 116.700 117.890 -1.190 1
1 1090 . 6 1 1 A 101 101 VAL H H 101 8.290 8.990 -0.700 1
1 1091 . 6 1 1 A 101 101 VAL HA H 101 4.170 4.624 -0.454 1
1 1099 . 6 1 1 A 101 101 VAL CA C 101 61.900 61.541 0.359 1
1 1100 . 6 1 1 A 101 101 VAL CB C 101 32.800 34.048 -1.248 1
1 1103 . 6 1 1 A 101 101 VAL N N 101 122.900 128.866 -5.966 1
1 1104 . 6 1 1 A 102 102 SER H H 102 8.490 8.671 -0.181 1
1 1105 . 6 1 1 A 102 102 SER HA H 102 4.470 4.764 -0.294 1
1 1108 . 6 1 1 A 102 102 SER CA C 102 58.000 57.398 0.602 1
1 1109 . 6 1 1 A 102 102 SER CB C 102 63.600 64.284 -0.684 1
1 1110 . 6 1 1 A 102 102 SER N N 102 120.700 118.721 1.979 1
1 1111 . 6 1 1 A 103 103 VAL H H 103 8.240 7.170 1.070 1
1 1112 . 6 1 1 A 103 103 VAL HA H 103 4.420 4.346 0.074 1
1 1120 . 6 1 1 A 103 103 VAL CA C 103 59.700 60.590 -0.890 1
1 1121 . 6 1 1 A 103 103 VAL CB C 103 32.700 32.061 0.639 1
1 1124 . 6 1 1 A 103 103 VAL N N 103 123.900 118.144 5.756 1
1 1125 . 6 1 1 A 104 104 PRO HA H 104 4.420 4.648 -0.228 1
1 1132 . 6 1 1 A 104 104 PRO CA C 104 63.000 62.222 0.778 1
1 1133 . 6 1 1 A 104 104 PRO CB C 104 32.000 32.818 -0.818 1
1 1136 . 6 1 1 A 105 105 VAL H H 105 8.340 8.584 -0.244 1
1 1137 . 6 1 1 A 105 105 VAL HA H 105 4.130 4.492 -0.362 1
1 1145 . 6 1 1 A 105 105 VAL CA C 105 62.200 61.294 0.906 1
1 1146 . 6 1 1 A 105 105 VAL CB C 105 32.600 33.650 -1.050 1
1 1149 . 6 1 1 A 105 105 VAL N N 105 121.000 119.370 1.630 1
1 1150 . 6 1 1 A 106 106 THR H H 106 8.210 8.371 -0.161 1
1 1151 . 6 1 1 A 106 106 THR HA H 106 4.380 4.891 -0.511 1
1 1156 . 6 1 1 A 106 106 THR CA C 106 61.400 62.979 -1.579 1
1 1157 . 6 1 1 A 106 106 THR CB C 106 70.000 67.710 2.290 1
1 1159 . 6 1 1 A 106 106 THR N N 106 118.700 115.527 3.173 1
1 1160 . 6 1 1 A 107 107 VAL H H 107 8.280 9.026 -0.746 1
1 1161 . 6 1 1 A 107 107 VAL HA H 107 4.050 4.248 -0.198 1
1 1169 . 6 1 1 A 107 107 VAL CA C 107 62.600 62.328 0.272 1
1 1170 . 6 1 1 A 107 107 VAL CB C 107 32.600 32.724 -0.124 1
1 1173 . 6 1 1 A 107 107 VAL N N 107 122.700 126.425 -3.725 1
1 1174 . 6 1 1 A 108 108 GLU H H 108 8.500 7.980 0.520 1
1 1175 . 6 1 1 A 108 108 GLU HA H 108 4.230 4.294 -0.064 1
1 1180 . 6 1 1 A 108 108 GLU CA C 108 56.600 57.258 -0.658 1
1 1181 . 6 1 1 A 108 108 GLU CB C 108 30.000 28.063 1.937 1
1 1183 . 6 1 1 A 108 108 GLU N N 108 124.100 121.685 2.415 1
1 1184 . 6 1 1 A 109 109 MET H H 109 8.570 8.442 0.128 1
1 1185 . 6 1 1 A 109 109 MET HA H 109 4.460 4.907 -0.447 1
1 1188 . 6 1 1 A 109 109 MET CA C 109 55.300 54.483 0.817 1
1 1189 . 6 1 1 A 109 109 MET CB C 109 26.800 34.462 -7.662 1
1 1190 . 6 1 1 A 109 109 MET N N 109 121.300 118.756 2.544 1
1 1191 . 6 1 1 A 110 110 ILE H H 110 8.280 8.664 -0.384 1
1 1192 . 6 1 1 A 110 110 ILE HA H 110 4.080 5.006 -0.926 1
1 1202 . 6 1 1 A 110 110 ILE CA C 110 61.400 59.046 2.354 1
1 1203 . 6 1 1 A 110 110 ILE CB C 110 38.700 41.791 -3.091 1
1 1207 . 6 1 1 A 110 110 ILE N N 110 122.600 112.265 10.335 1
1 1208 . 6 1 1 A 111 111 ASN H H 111 8.590 8.985 -0.395 1
1 1209 . 6 1 1 A 111 111 ASN HA H 111 4.690 5.632 -0.942 1
1 1214 . 6 1 1 A 111 111 ASN CA C 111 53.000 51.388 1.612 1
1 1215 . 6 1 1 A 111 111 ASN CB C 111 38.600 40.666 -2.066 1
1 1216 . 6 1 1 A 111 111 ASN N N 111 122.800 122.824 -0.024 1
1 1218 . 6 1 1 A 112 112 LEU H H 112 8.340 8.513 -0.173 1
1 1219 . 6 1 1 A 112 112 LEU HA H 112 4.240 4.911 -0.671 1
1 1229 . 6 1 1 A 112 112 LEU CA C 112 55.400 54.364 1.036 1
1 1230 . 6 1 1 A 112 112 LEU CB C 112 42.100 45.945 -3.845 1
1 1 . 7 1 1 A 3 3 THR HA H 3 4.250 4.438 -0.188 1
1 6 . 7 1 1 A 3 3 THR CA C 3 62.000 60.825 1.175 1
1 7 . 7 1 1 A 3 3 THR CB C 3 69.700 71.144 -1.444 1
1 9 . 7 1 1 A 4 4 PHE H H 4 8.440 8.796 -0.356 1
1 10 . 7 1 1 A 4 4 PHE HA H 4 4.650 4.603 0.047 1
1 17 . 7 1 1 A 4 4 PHE CA C 4 57.700 59.294 -1.594 1
1 18 . 7 1 1 A 4 4 PHE CB C 4 39.400 40.167 -0.767 1
1 21 . 7 1 1 A 4 4 PHE N N 4 122.400 120.794 1.606 1
1 22 . 7 1 1 A 5 5 ASP H H 5 8.500 8.924 -0.424 1
1 23 . 7 1 1 A 5 5 ASP HA H 5 4.600 5.142 -0.542 1
1 26 . 7 1 1 A 5 5 ASP CA C 5 53.900 53.560 0.340 1
1 27 . 7 1 1 A 5 5 ASP CB C 5 40.700 42.962 -2.262 1
1 28 . 7 1 1 A 5 5 ASP N N 5 121.800 122.577 -0.777 1
1 29 . 7 1 1 A 6 6 HIS H H 6 8.240 9.139 -0.899 1
1 30 . 7 1 1 A 6 6 HIS HA H 6 4.780 4.799 -0.019 1
1 34 . 7 1 1 A 6 6 HIS CA C 6 55.300 56.166 -0.866 1
1 35 . 7 1 1 A 6 6 HIS CB C 6 31.500 29.862 1.638 1
1 37 . 7 1 1 A 6 6 HIS N N 6 120.400 123.928 -3.528 1
1 38 . 7 1 1 A 7 7 GLY H H 7 8.660 9.022 -0.362 1
1 39 . 7 1 1 A 7 7 GLY HA2 H 7 4.500 3.990 0.510 1
1 40 . 7 1 1 A 7 7 GLY HA3 H 7 3.580 4.062 -0.482 1
1 41 . 7 1 1 A 7 7 GLY CA C 7 44.200 44.122 0.078 1
1 42 . 7 1 1 A 7 7 GLY N N 7 109.200 109.466 -0.266 1
1 43 . 7 1 1 A 8 8 ASN H H 8 8.040 8.532 -0.492 1
1 44 . 7 1 1 A 8 8 ASN HA H 8 5.500 5.926 -0.426 1
1 49 . 7 1 1 A 8 8 ASN CA C 8 52.600 51.833 0.767 1
1 50 . 7 1 1 A 8 8 ASN CB C 8 42.700 41.998 0.702 1
1 51 . 7 1 1 A 8 8 ASN N N 8 115.100 118.684 -3.584 1
1 53 . 7 1 1 A 9 9 LEU H H 9 8.850 8.901 -0.051 1
1 54 . 7 1 1 A 9 9 LEU HA H 9 4.530 4.824 -0.294 1
1 64 . 7 1 1 A 9 9 LEU CA C 9 54.700 54.185 0.515 1
1 65 . 7 1 1 A 9 9 LEU CB C 9 47.000 45.783 1.217 1
1 69 . 7 1 1 A 9 9 LEU N N 9 123.500 124.400 -0.900 1
1 70 . 7 1 1 A 10 10 SER H H 10 8.850 8.992 -0.142 1
1 71 . 7 1 1 A 10 10 SER HA H 10 5.030 4.813 0.217 1
1 74 . 7 1 1 A 10 10 SER CA C 10 57.000 58.115 -1.115 1
1 75 . 7 1 1 A 10 10 SER CB C 10 63.900 63.913 -0.013 1
1 76 . 7 1 1 A 10 10 SER N N 10 121.800 124.238 -2.438 1
1 77 . 7 1 1 A 11 11 LEU H H 11 8.820 9.205 -0.385 1
1 78 . 7 1 1 A 11 11 LEU HA H 11 4.460 4.497 -0.037 1
1 88 . 7 1 1 A 11 11 LEU CA C 11 54.400 55.130 -0.730 1
1 89 . 7 1 1 A 11 11 LEU CB C 11 41.900 43.181 -1.281 1
1 93 . 7 1 1 A 11 11 LEU N N 11 127.300 126.831 0.469 1
1 94 . 7 1 1 A 12 12 GLY H H 12 8.140 7.903 0.237 1
1 95 . 7 1 1 A 12 12 GLY HA2 H 12 3.720 4.084 -0.364 1
1 96 . 7 1 1 A 12 12 GLY HA3 H 12 4.080 4.103 -0.023 1
1 97 . 7 1 1 A 12 12 GLY CA C 12 44.700 44.439 0.261 1
1 98 . 7 1 1 A 12 12 GLY N N 12 108.000 106.146 1.854 1
1 99 . 7 1 1 A 13 13 GLU H H 13 8.210 8.348 -0.138 1
1 100 . 7 1 1 A 13 13 GLU HA H 13 4.560 5.713 -1.153 1
1 105 . 7 1 1 A 13 13 GLU CA C 13 55.700 55.494 0.206 1
1 106 . 7 1 1 A 13 13 GLU CB C 13 30.300 30.467 -0.167 1
1 108 . 7 1 1 A 13 13 GLU N N 13 119.000 118.461 0.539 1
1 109 . 7 1 1 A 14 14 LEU H H 14 9.360 9.245 0.115 1
1 110 . 7 1 1 A 14 14 LEU HA H 14 4.720 4.891 -0.171 1
1 120 . 7 1 1 A 14 14 LEU CA C 14 53.400 53.810 -0.410 1
1 121 . 7 1 1 A 14 14 LEU CB C 14 44.200 43.573 0.627 1
1 125 . 7 1 1 A 14 14 LEU N N 14 126.700 126.853 -0.153 1
1 126 . 7 1 1 A 15 15 GLU H H 15 8.680 8.590 0.090 1
1 127 . 7 1 1 A 15 15 GLU HA H 15 4.240 4.776 -0.536 1
1 132 . 7 1 1 A 15 15 GLU CA C 15 56.900 56.293 0.607 1
1 133 . 7 1 1 A 15 15 GLU CB C 15 29.900 30.537 -0.637 1
1 135 . 7 1 1 A 15 15 GLU N N 15 120.600 122.558 -1.958 1
1 136 . 7 1 1 A 16 16 LEU H H 16 7.740 8.541 -0.801 1
1 137 . 7 1 1 A 16 16 LEU HA H 16 4.360 5.368 -1.008 1
1 147 . 7 1 1 A 16 16 LEU CA C 16 54.000 53.035 0.965 1
1 148 . 7 1 1 A 16 16 LEU CB C 16 43.300 44.576 -1.276 1
1 152 . 7 1 1 A 16 16 LEU N N 16 125.200 121.245 3.955 1
1 153 . 7 1 1 A 17 17 THR H H 17 8.500 8.697 -0.197 1
1 154 . 7 1 1 A 17 17 THR HA H 17 4.420 5.130 -0.710 1
1 159 . 7 1 1 A 17 17 THR CA C 17 63.100 61.805 1.295 1
1 160 . 7 1 1 A 17 17 THR CB C 17 69.600 71.034 -1.434 1
1 162 . 7 1 1 A 17 17 THR N N 17 127.300 117.069 10.231 1
1 163 . 7 1 1 A 18 18 VAL H H 18 8.840 8.667 0.173 1
1 164 . 7 1 1 A 18 18 VAL HA H 18 4.490 5.067 -0.577 1
1 172 . 7 1 1 A 18 18 VAL CA C 18 61.100 61.161 -0.061 1
1 173 . 7 1 1 A 18 18 VAL CB C 18 33.300 33.232 0.068 1
1 176 . 7 1 1 A 18 18 VAL N N 18 127.000 127.464 -0.464 1
1 177 . 7 1 1 A 19 19 LEU H H 19 8.830 9.558 -0.728 1
1 178 . 7 1 1 A 19 19 LEU HA H 19 4.920 5.016 -0.096 1
1 188 . 7 1 1 A 19 19 LEU CA C 19 53.400 54.452 -1.052 1
1 189 . 7 1 1 A 19 19 LEU CB C 19 41.200 43.470 -2.270 1
1 193 . 7 1 1 A 19 19 LEU N N 19 128.500 128.032 0.468 1
1 194 . 7 1 1 A 20 20 TYR H H 20 8.470 8.984 -0.514 1
1 195 . 7 1 1 A 20 20 TYR HA H 20 4.280 5.162 -0.882 1
1 202 . 7 1 1 A 20 20 TYR CA C 20 55.600 55.812 -0.212 1
1 203 . 7 1 1 A 20 20 TYR CB C 20 38.200 41.004 -2.804 1
1 206 . 7 1 1 A 20 20 TYR N N 20 120.300 121.092 -0.792 1
1 207 . 7 1 1 A 21 21 ASP H H 21 8.920 8.637 0.283 1
1 208 . 7 1 1 A 21 21 ASP HA H 21 4.640 4.506 0.134 1
1 211 . 7 1 1 A 21 21 ASP CA C 21 53.000 54.153 -1.153 1
1 212 . 7 1 1 A 21 21 ASP CB C 21 39.300 41.433 -2.133 1
1 213 . 7 1 1 A 21 21 ASP N N 21 118.600 121.918 -3.318 1
1 214 . 7 1 1 A 22 22 GLU H H 22 7.930 8.938 -1.008 1
1 215 . 7 1 1 A 22 22 GLU HA H 22 4.250 4.290 -0.040 1
1 220 . 7 1 1 A 22 22 GLU CA C 22 57.000 57.953 -0.953 1
1 221 . 7 1 1 A 22 22 GLU CB C 22 29.000 29.203 -0.203 1
1 223 . 7 1 1 A 22 22 GLU N N 22 126.600 126.290 0.310 1
1 224 . 7 1 1 A 23 23 GLU H H 23 8.060 7.970 0.090 1
1 225 . 7 1 1 A 23 23 GLU HA H 23 4.130 4.341 -0.211 1
1 230 . 7 1 1 A 23 23 GLU CA C 23 57.800 57.470 0.330 1
1 231 . 7 1 1 A 23 23 GLU CB C 23 29.500 30.316 -0.816 1
1 233 . 7 1 1 A 23 23 GLU N N 23 117.800 118.450 -0.650 1
1 234 . 7 1 1 A 24 24 ARG H H 24 7.070 7.507 -0.437 1
1 235 . 7 1 1 A 24 24 ARG HA H 24 4.170 4.076 0.094 1
1 243 . 7 1 1 A 24 24 ARG CA C 24 56.500 57.662 -1.162 1
1 244 . 7 1 1 A 24 24 ARG CB C 24 33.500 30.753 2.747 1
1 247 . 7 1 1 A 24 24 ARG N N 24 116.700 118.170 -1.470 1
1 249 . 7 1 1 A 25 25 TYR H H 25 8.150 7.453 0.697 1
1 250 . 7 1 1 A 25 25 TYR HA H 25 5.470 5.285 0.185 1
1 257 . 7 1 1 A 25 25 TYR CA C 25 56.900 56.728 0.172 1
1 258 . 7 1 1 A 25 25 TYR CB C 25 43.100 42.740 0.360 1
1 261 . 7 1 1 A 25 25 TYR N N 25 116.800 115.004 1.796 1
1 262 . 7 1 1 A 26 26 ASP H H 26 9.120 8.713 0.407 1
1 263 . 7 1 1 A 26 26 ASP HA H 26 5.250 5.321 -0.071 1
1 266 . 7 1 1 A 26 26 ASP CA C 26 52.400 52.657 -0.257 1
1 267 . 7 1 1 A 26 26 ASP CB C 26 44.500 45.213 -0.713 1
1 268 . 7 1 1 A 26 26 ASP N N 26 116.900 120.308 -3.408 1
1 269 . 7 1 1 A 27 27 ILE H H 27 8.640 8.845 -0.205 1
1 270 . 7 1 1 A 27 27 ILE HA H 27 4.100 4.144 -0.044 1
1 280 . 7 1 1 A 27 27 ILE CA C 27 61.400 60.867 0.533 1
1 281 . 7 1 1 A 27 27 ILE CB C 27 38.600 37.030 1.570 1
1 285 . 7 1 1 A 27 27 ILE N N 27 121.200 124.331 -3.131 1
1 286 . 7 1 1 A 28 28 VAL H H 28 8.840 8.770 0.070 1
1 287 . 7 1 1 A 28 28 VAL HA H 28 3.930 3.971 -0.041 1
1 295 . 7 1 1 A 28 28 VAL CA C 28 63.800 64.153 -0.353 1
1 296 . 7 1 1 A 28 28 VAL CB C 28 32.900 32.615 0.285 1
1 299 . 7 1 1 A 28 28 VAL N N 28 128.700 129.339 -0.639 1
1 300 . 7 1 1 A 29 29 GLU H H 29 7.180 7.710 -0.530 1
1 301 . 7 1 1 A 29 29 GLU HA H 29 4.490 4.739 -0.249 1
1 306 . 7 1 1 A 29 29 GLU CA C 29 55.200 54.952 0.248 1
1 307 . 7 1 1 A 29 29 GLU CB C 29 32.900 34.175 -1.275 1
1 309 . 7 1 1 A 29 29 GLU N N 29 116.000 118.991 -2.991 1
1 310 . 7 1 1 A 30 30 GLN H H 30 8.760 8.575 0.185 1
1 311 . 7 1 1 A 30 30 GLN HA H 30 5.450 4.652 0.798 1
1 314 . 7 1 1 A 30 30 GLN CA C 30 54.200 55.279 -1.079 1
1 315 . 7 1 1 A 30 30 GLN CB C 30 33.100 33.073 0.027 1
1 316 . 7 1 1 A 30 30 GLN N N 30 117.200 123.323 -6.123 1
1 317 . 7 1 1 A 31 31 THR H H 31 8.200 8.747 -0.547 1
1 318 . 7 1 1 A 31 31 THR HA H 31 4.160 4.185 -0.025 1
1 323 . 7 1 1 A 31 31 THR CA C 31 64.500 64.689 -0.189 1
1 324 . 7 1 1 A 31 31 THR CB C 31 70.300 68.994 1.306 1
1 326 . 7 1 1 A 31 31 THR N N 31 119.400 120.254 -0.854 1
1 327 . 7 1 1 A 32 32 GLU H H 32 9.230 8.848 0.382 1
1 328 . 7 1 1 A 32 32 GLU HA H 32 4.170 4.465 -0.295 1
1 333 . 7 1 1 A 32 32 GLU CA C 32 60.000 58.570 1.430 1
1 334 . 7 1 1 A 32 32 GLU CB C 32 31.000 30.528 0.472 1
1 336 . 7 1 1 A 32 32 GLU N N 32 129.600 126.506 3.094 1
1 337 . 7 1 1 A 33 33 THR H H 33 7.510 7.988 -0.478 1
1 338 . 7 1 1 A 33 33 THR HA H 33 5.320 5.291 0.029 1
1 343 . 7 1 1 A 33 33 THR CA C 33 58.500 59.817 -1.317 1
1 344 . 7 1 1 A 33 33 THR CB C 33 73.100 71.858 1.242 1
1 346 . 7 1 1 A 33 33 THR N N 33 107.500 109.341 -1.841 1
1 347 . 7 1 1 A 34 34 VAL H H 34 8.700 9.248 -0.548 1
1 348 . 7 1 1 A 34 34 VAL HA H 34 4.670 4.923 -0.253 1
1 356 . 7 1 1 A 34 34 VAL CA C 34 59.200 58.891 0.309 1
1 357 . 7 1 1 A 34 34 VAL CB C 34 35.200 35.264 -0.064 1
1 360 . 7 1 1 A 34 34 VAL N N 34 112.000 118.155 -6.155 1
1 361 . 7 1 1 A 35 35 GLN H H 35 8.930 8.623 0.307 1
1 362 . 7 1 1 A 35 35 GLN HA H 35 4.790 5.074 -0.284 1
1 369 . 7 1 1 A 35 35 GLN CA C 35 54.800 55.702 -0.902 1
1 370 . 7 1 1 A 35 35 GLN CB C 35 29.900 29.941 -0.041 1
1 372 . 7 1 1 A 35 35 GLN N N 35 123.200 121.863 1.337 1
1 374 . 7 1 1 A 36 36 VAL H H 36 7.940 8.828 -0.888 1
1 375 . 7 1 1 A 36 36 VAL HA H 36 4.850 5.154 -0.304 1
1 383 . 7 1 1 A 36 36 VAL CA C 36 61.300 61.157 0.143 1
1 384 . 7 1 1 A 36 36 VAL CB C 36 34.200 33.762 0.438 1
1 387 . 7 1 1 A 36 36 VAL N N 36 124.300 125.566 -1.266 1
1 388 . 7 1 1 A 37 37 ASP H H 37 8.670 9.248 -0.578 1
1 389 . 7 1 1 A 37 37 ASP HA H 37 5.240 5.424 -0.184 1
1 392 . 7 1 1 A 37 37 ASP CA C 37 53.000 52.594 0.406 1
1 393 . 7 1 1 A 37 37 ASP CB C 37 44.700 44.603 0.097 1
1 394 . 7 1 1 A 37 37 ASP N N 37 126.900 127.818 -0.918 1
1 395 . 7 1 1 A 38 38 LEU H H 38 8.850 9.399 -0.549 1
1 396 . 7 1 1 A 38 38 LEU HA H 38 5.160 5.413 -0.253 1
1 406 . 7 1 1 A 38 38 LEU CA C 38 52.400 53.217 -0.817 1
1 407 . 7 1 1 A 38 38 LEU CB C 38 46.100 44.769 1.331 1
1 411 . 7 1 1 A 38 38 LEU N N 38 119.100 126.039 -6.939 1
1 412 . 7 1 1 A 39 39 GLU H H 39 8.380 8.918 -0.538 1
1 413 . 7 1 1 A 39 39 GLU HA H 39 5.210 5.573 -0.363 1
1 418 . 7 1 1 A 39 39 GLU CA C 39 54.600 54.692 -0.092 1
1 419 . 7 1 1 A 39 39 GLU CB C 39 33.900 32.906 0.994 1
1 421 . 7 1 1 A 39 39 GLU N N 39 120.800 121.055 -0.255 1
1 422 . 7 1 1 A 40 40 GLY H H 40 8.110 8.031 0.079 1
1 423 . 7 1 1 A 40 40 GLY HA2 H 40 4.230 4.177 0.053 1
1 424 . 7 1 1 A 40 40 GLY HA3 H 40 3.730 4.206 -0.476 1
1 425 . 7 1 1 A 40 40 GLY CA C 40 45.000 44.959 0.041 1
1 426 . 7 1 1 A 40 40 GLY N N 40 110.000 109.495 0.505 1
1 427 . 7 1 1 A 41 41 PRO HA H 41 4.380 4.672 -0.292 1
1 434 . 7 1 1 A 41 41 PRO CA C 41 62.200 63.167 -0.967 1
1 435 . 7 1 1 A 41 41 PRO CB C 41 32.400 31.934 0.466 1
1 438 . 7 1 1 A 42 42 ARG H H 42 9.020 8.055 0.965 1
1 439 . 7 1 1 A 42 42 ARG HA H 42 3.790 3.985 -0.195 1
1 446 . 7 1 1 A 42 42 ARG CA C 42 60.400 58.879 1.521 1
1 447 . 7 1 1 A 42 42 ARG CB C 42 29.900 29.713 0.187 1
1 450 . 7 1 1 A 42 42 ARG N N 42 125.500 123.511 1.989 1
1 451 . 7 1 1 A 43 43 GLY H H 43 9.310 8.473 0.837 1
1 452 . 7 1 1 A 43 43 GLY HA2 H 43 3.890 3.788 0.102 1
1 453 . 7 1 1 A 43 43 GLY HA3 H 43 3.890 3.803 0.087 1
1 454 . 7 1 1 A 43 43 GLY CA C 43 47.000 47.571 -0.571 1
1 455 . 7 1 1 A 43 43 GLY N N 43 107.200 109.058 -1.858 1
1 456 . 7 1 1 A 44 44 VAL H H 44 6.930 7.921 -0.991 1
1 457 . 7 1 1 A 44 44 VAL HA H 44 3.800 3.828 -0.028 1
1 465 . 7 1 1 A 44 44 VAL CA C 44 65.100 65.999 -0.899 1
1 466 . 7 1 1 A 44 44 VAL CB C 44 32.000 31.881 0.119 1
1 469 . 7 1 1 A 44 44 VAL N N 44 121.100 122.662 -1.562 1
1 470 . 7 1 1 A 45 45 LEU H H 45 7.830 7.840 -0.010 1
1 471 . 7 1 1 A 45 45 LEU HA H 45 3.890 3.939 -0.049 1
1 481 . 7 1 1 A 45 45 LEU CA C 45 58.100 57.781 0.319 1
1 482 . 7 1 1 A 45 45 LEU CB C 45 41.800 40.841 0.959 1
1 486 . 7 1 1 A 45 45 LEU N N 45 120.700 119.400 1.300 1
1 487 . 7 1 1 A 46 46 THR H H 46 8.340 8.205 0.135 1
1 488 . 7 1 1 A 46 46 THR HA H 46 3.850 3.807 0.043 1
1 493 . 7 1 1 A 46 46 THR CA C 46 66.800 66.693 0.107 1
1 494 . 7 1 1 A 46 46 THR CB C 46 68.800 68.121 0.679 1
1 496 . 7 1 1 A 46 46 THR N N 46 114.900 116.091 -1.191 1
1 497 . 7 1 1 A 47 47 VAL H H 47 7.210 7.967 -0.757 1
1 498 . 7 1 1 A 47 47 VAL HA H 47 3.820 4.010 -0.190 1
1 506 . 7 1 1 A 47 47 VAL CA C 47 65.600 66.858 -1.258 1
1 507 . 7 1 1 A 47 47 VAL CB C 47 31.900 31.670 0.230 1
1 510 . 7 1 1 A 47 47 VAL N N 47 119.600 121.305 -1.705 1
1 511 . 7 1 1 A 48 48 PHE H H 48 8.140 8.809 -0.669 1
1 512 . 7 1 1 A 48 48 PHE HA H 48 4.210 4.107 0.103 1
1 520 . 7 1 1 A 48 48 PHE CA C 48 61.100 61.183 -0.083 1
1 521 . 7 1 1 A 48 48 PHE CB C 48 39.200 39.119 0.081 1
1 525 . 7 1 1 A 48 48 PHE N N 48 120.600 120.440 0.160 1
1 526 . 7 1 1 A 49 49 ARG H H 49 8.150 7.827 0.323 1
1 527 . 7 1 1 A 49 49 ARG HA H 49 3.710 4.121 -0.411 1
1 534 . 7 1 1 A 49 49 ARG CA C 49 58.500 57.813 0.687 1
1 535 . 7 1 1 A 49 49 ARG CB C 49 30.000 30.011 -0.011 1
1 538 . 7 1 1 A 49 49 ARG N N 49 117.500 117.366 0.134 1
1 539 . 7 1 1 A 50 50 PHE H H 50 7.270 7.320 -0.050 1
1 540 . 7 1 1 A 50 50 PHE HA H 50 4.620 4.299 0.321 1
1 548 . 7 1 1 A 50 50 PHE CA C 50 57.700 60.146 -2.446 1
1 549 . 7 1 1 A 50 50 PHE CB C 50 39.600 39.347 0.253 1
1 553 . 7 1 1 A 50 50 PHE N N 50 115.500 116.331 -0.831 1
1 554 . 7 1 1 A 51 51 ALA H H 51 7.620 7.281 0.339 1
1 555 . 7 1 1 A 51 51 ALA HA H 51 4.320 4.374 -0.054 1
1 559 . 7 1 1 A 51 51 ALA CA C 51 51.700 51.542 0.158 1
1 560 . 7 1 1 A 51 51 ALA CB C 51 19.300 20.741 -1.441 1
1 561 . 7 1 1 A 51 51 ALA N N 51 124.200 120.953 3.247 1
1 562 . 7 1 1 A 52 52 ARG H H 52 8.570 8.318 0.252 1
1 563 . 7 1 1 A 52 52 ARG HA H 52 4.270 4.663 -0.393 1
1 570 . 7 1 1 A 52 52 ARG CA C 52 54.700 54.061 0.639 1
1 571 . 7 1 1 A 52 52 ARG CB C 52 29.300 29.540 -0.240 1
1 574 . 7 1 1 A 52 52 ARG N N 52 123.500 120.041 3.459 1
1 575 . 7 1 1 A 53 53 PRO HA H 53 4.240 4.269 -0.029 1
1 582 . 7 1 1 A 53 53 PRO CA C 53 63.600 63.100 0.500 1
1 583 . 7 1 1 A 53 53 PRO CB C 53 31.600 31.788 -0.188 1
1 586 . 7 1 1 A 54 54 SER H H 54 8.100 8.805 -0.705 1
1 587 . 7 1 1 A 54 54 SER HA H 54 4.390 4.703 -0.313 1
1 590 . 7 1 1 A 54 54 SER CA C 54 57.200 57.695 -0.495 1
1 591 . 7 1 1 A 54 54 SER CB C 54 63.100 64.774 -1.674 1
1 592 . 7 1 1 A 54 54 SER N N 54 117.200 118.562 -1.362 1
1 593 . 7 1 1 A 55 55 TYR H H 55 6.640 7.050 -0.410 1
1 594 . 7 1 1 A 55 55 TYR HA H 55 5.030 5.479 -0.449 1
1 601 . 7 1 1 A 55 55 TYR CA C 55 53.900 55.615 -1.715 1
1 602 . 7 1 1 A 55 55 TYR CB C 55 39.200 41.693 -2.493 1
1 605 . 7 1 1 A 55 55 TYR N N 55 119.200 117.777 1.423 1
1 606 . 7 1 1 A 56 56 GLU H H 56 8.890 8.638 0.252 1
1 607 . 7 1 1 A 56 56 GLU HA H 56 4.740 5.337 -0.597 1
1 612 . 7 1 1 A 56 56 GLU CA C 56 55.700 54.862 0.838 1
1 613 . 7 1 1 A 56 56 GLU CB C 56 35.000 33.345 1.655 1
1 615 . 7 1 1 A 56 56 GLU N N 56 118.800 123.092 -4.292 1
1 616 . 7 1 1 A 57 57 VAL H H 57 8.830 8.760 0.070 1
1 617 . 7 1 1 A 57 57 VAL HA H 57 5.370 4.999 0.371 1
1 625 . 7 1 1 A 57 57 VAL CA C 57 59.900 61.469 -1.569 1
1 626 . 7 1 1 A 57 57 VAL CB C 57 33.300 33.324 -0.024 1
1 629 . 7 1 1 A 57 57 VAL N N 57 117.800 123.074 -5.274 1
1 630 . 7 1 1 A 58 58 PHE H H 58 8.870 8.595 0.275 1
1 631 . 7 1 1 A 58 58 PHE HA H 58 6.090 5.542 0.548 1
1 634 . 7 1 1 A 58 58 PHE CA C 58 55.600 55.946 -0.346 1
1 635 . 7 1 1 A 58 58 PHE CB C 58 42.700 41.408 1.292 1
1 636 . 7 1 1 A 58 58 PHE N N 58 120.600 123.018 -2.418 1
1 637 . 7 1 1 A 59 59 VAL H H 59 8.270 8.708 -0.438 1
1 638 . 7 1 1 A 59 59 VAL HA H 59 4.730 4.753 -0.023 1
1 646 . 7 1 1 A 59 59 VAL CA C 59 58.500 60.414 -1.914 1
1 647 . 7 1 1 A 59 59 VAL CB C 59 34.800 35.081 -0.281 1
1 650 . 7 1 1 A 59 59 VAL N N 59 108.700 119.895 -11.195 1
1 651 . 7 1 1 A 60 60 ASP H H 60 9.360 8.902 0.458 1
1 652 . 7 1 1 A 60 60 ASP HA H 60 5.080 4.925 0.155 1
1 655 . 7 1 1 A 60 60 ASP CA C 60 52.700 53.062 -0.362 1
1 656 . 7 1 1 A 60 60 ASP CB C 60 41.100 41.711 -0.611 1
1 657 . 7 1 1 A 60 60 ASP N N 60 123.000 127.556 -4.556 1
1 658 . 7 1 1 A 61 61 LEU H H 61 9.230 8.485 0.745 1
1 659 . 7 1 1 A 61 61 LEU HA H 61 4.670 4.721 -0.051 1
1 669 . 7 1 1 A 61 61 LEU CA C 61 53.300 53.828 -0.528 1
1 670 . 7 1 1 A 61 61 LEU CB C 61 40.900 42.736 -1.836 1
1 674 . 7 1 1 A 61 61 LEU N N 61 128.600 127.345 1.255 1
1 675 . 7 1 1 A 62 62 THR H H 62 8.720 7.722 0.998 1
1 676 . 7 1 1 A 62 62 THR HA H 62 3.590 4.228 -0.638 1
1 681 . 7 1 1 A 62 62 THR CA C 62 67.000 64.388 2.612 1
1 682 . 7 1 1 A 62 62 THR CB C 62 69.100 69.002 0.098 1
1 684 . 7 1 1 A 62 62 THR N N 62 115.800 115.292 0.508 1
1 685 . 7 1 1 A 63 63 GLU H H 63 8.490 7.700 0.790 1
1 686 . 7 1 1 A 63 63 GLU HA H 63 4.530 4.435 0.095 1
1 691 . 7 1 1 A 63 63 GLU CA C 63 55.100 56.459 -1.359 1
1 692 . 7 1 1 A 63 63 GLU CB C 63 29.200 30.059 -0.859 1
1 694 . 7 1 1 A 63 63 GLU N N 63 118.800 118.487 0.313 1
1 695 . 7 1 1 A 64 64 ALA H H 64 7.100 7.108 -0.008 1
1 696 . 7 1 1 A 64 64 ALA HA H 64 4.130 3.998 0.132 1
1 700 . 7 1 1 A 64 64 ALA CA C 64 51.500 51.584 -0.084 1
1 701 . 7 1 1 A 64 64 ALA CB C 64 20.900 19.480 1.420 1
1 702 . 7 1 1 A 64 64 ALA N N 64 123.700 122.646 1.054 1
1 703 . 7 1 1 A 65 65 GLY H H 65 7.800 8.042 -0.242 1
1 704 . 7 1 1 A 65 65 GLY HA2 H 65 4.180 3.929 0.251 1
1 705 . 7 1 1 A 65 65 GLY HA3 H 65 3.540 4.136 -0.596 1
1 706 . 7 1 1 A 65 65 GLY CA C 65 42.600 44.258 -1.658 1
1 707 . 7 1 1 A 65 65 GLY N N 65 106.800 108.324 -1.524 1
1 708 . 7 1 1 A 66 66 GLU H H 66 8.490 8.645 -0.155 1
1 709 . 7 1 1 A 66 66 GLU HA H 66 3.750 4.282 -0.532 1
1 714 . 7 1 1 A 66 66 GLU CA C 66 57.400 58.339 -0.939 1
1 715 . 7 1 1 A 66 66 GLU CB C 66 30.300 30.066 0.234 1
1 717 . 7 1 1 A 66 66 GLU N N 66 119.900 121.744 -1.844 1
1 718 . 7 1 1 A 67 67 GLY H H 67 8.470 8.500 -0.030 1
1 719 . 7 1 1 A 67 67 GLY HA2 H 67 3.770 4.025 -0.255 1
1 720 . 7 1 1 A 67 67 GLY HA3 H 67 4.390 4.081 0.309 1
1 721 . 7 1 1 A 67 67 GLY CA C 67 43.400 44.285 -0.885 1
1 722 . 7 1 1 A 67 67 GLY N N 67 110.800 110.205 0.595 1
1 723 . 7 1 1 A 68 68 SER H H 68 8.250 8.239 0.011 1
1 724 . 7 1 1 A 68 68 SER HA H 68 4.610 4.932 -0.322 1
1 727 . 7 1 1 A 68 68 SER CA C 68 57.700 58.154 -0.454 1
1 728 . 7 1 1 A 68 68 SER CB C 68 63.300 63.795 -0.495 1
1 729 . 7 1 1 A 68 68 SER N N 68 114.500 115.078 -0.578 1
1 730 . 7 1 1 A 69 69 HIS H H 69 8.780 8.966 -0.186 1
1 731 . 7 1 1 A 69 69 HIS HA H 69 4.790 5.181 -0.391 1
1 734 . 7 1 1 A 69 69 HIS CA C 69 55.300 54.433 0.867 1
1 735 . 7 1 1 A 69 69 HIS CB C 69 33.900 32.837 1.063 1
1 736 . 7 1 1 A 69 69 HIS N N 69 125.400 124.292 1.108 1
1 737 . 7 1 1 A 70 70 THR H H 70 8.870 8.956 -0.086 1
1 738 . 7 1 1 A 70 70 THR HA H 70 5.380 5.387 -0.007 1
1 743 . 7 1 1 A 70 70 THR CA C 70 61.600 61.847 -0.247 1
1 744 . 7 1 1 A 70 70 THR CB C 70 69.400 70.449 -1.049 1
1 746 . 7 1 1 A 70 70 THR N N 70 121.200 118.424 2.776 1
1 747 . 7 1 1 A 71 71 VAL H H 71 8.860 8.752 0.108 1
1 748 . 7 1 1 A 71 71 VAL HA H 71 4.730 5.016 -0.286 1
1 756 . 7 1 1 A 71 71 VAL CA C 71 58.900 58.785 0.115 1
1 757 . 7 1 1 A 71 71 VAL CB C 71 36.000 36.050 -0.050 1
1 760 . 7 1 1 A 71 71 VAL N N 71 122.100 119.313 2.787 1
1 761 . 7 1 1 A 72 72 ASP H H 72 8.610 8.481 0.129 1
1 762 . 7 1 1 A 72 72 ASP HA H 72 4.660 4.681 -0.021 1
1 765 . 7 1 1 A 72 72 ASP CA C 72 55.500 53.631 1.869 1
1 766 . 7 1 1 A 72 72 ASP CB C 72 40.800 41.302 -0.502 1
1 767 . 7 1 1 A 72 72 ASP N N 72 124.300 122.229 2.071 1
1 768 . 7 1 1 A 73 73 VAL H H 73 8.090 8.521 -0.431 1
1 769 . 7 1 1 A 73 73 VAL HA H 73 3.770 4.114 -0.344 1
1 777 . 7 1 1 A 73 73 VAL CA C 73 63.600 61.827 1.773 1
1 778 . 7 1 1 A 73 73 VAL CB C 73 31.600 32.391 -0.791 1
1 781 . 7 1 1 A 73 73 VAL N N 73 121.400 122.454 -1.054 1
1 782 . 7 1 1 A 74 74 GLU H H 74 8.900 8.540 0.360 1
1 783 . 7 1 1 A 74 74 GLU HA H 74 4.370 4.339 0.031 1
1 788 . 7 1 1 A 74 74 GLU CA C 74 54.700 55.493 -0.793 1
1 789 . 7 1 1 A 74 74 GLU CB C 74 33.300 30.671 2.629 1
1 791 . 7 1 1 A 74 74 GLU N N 74 129.600 127.384 2.216 1
1 792 . 7 1 1 A 75 75 HIS H H 75 7.940 8.673 -0.733 1
1 793 . 7 1 1 A 75 75 HIS HA H 75 5.830 5.130 0.700 1
1 796 . 7 1 1 A 75 75 HIS CA C 75 54.100 53.921 0.179 1
1 797 . 7 1 1 A 75 75 HIS CB C 75 39.500 33.429 6.071 1
1 798 . 7 1 1 A 75 75 HIS N N 75 112.800 123.032 -10.232 1
1 799 . 7 1 1 A 76 76 ARG H H 76 9.210 8.307 0.903 1
1 800 . 7 1 1 A 76 76 ARG HA H 76 5.170 4.752 0.418 1
1 805 . 7 1 1 A 76 76 ARG CA C 76 55.300 54.710 0.590 1
1 806 . 7 1 1 A 76 76 ARG CB C 76 33.400 34.081 -0.681 1
1 808 . 7 1 1 A 76 76 ARG N N 76 117.100 120.134 -3.034 1
1 809 . 7 1 1 A 77 77 GLY H H 77 8.740 8.319 0.421 1
1 810 . 7 1 1 A 77 77 GLY HA2 H 77 4.410 4.115 0.295 1
1 811 . 7 1 1 A 77 77 GLY HA3 H 77 3.670 4.177 -0.507 1
1 812 . 7 1 1 A 77 77 GLY CA C 77 45.400 45.589 -0.189 1
1 813 . 7 1 1 A 77 77 GLY N N 77 107.400 111.561 -4.161 1
1 814 . 7 1 1 A 78 78 PHE H H 78 7.920 7.445 0.475 1
1 815 . 7 1 1 A 78 78 PHE HA H 78 4.450 4.714 -0.264 1
1 823 . 7 1 1 A 78 78 PHE CA C 78 54.200 55.514 -1.314 1
1 824 . 7 1 1 A 78 78 PHE CB C 78 41.000 39.669 1.331 1
1 828 . 7 1 1 A 78 78 PHE N N 78 120.200 119.190 1.010 1
1 829 . 7 1 1 A 79 79 PRO HA H 79 4.470 4.682 -0.212 1
1 836 . 7 1 1 A 79 79 PRO CA C 79 63.300 62.292 1.008 1
1 837 . 7 1 1 A 79 79 PRO CB C 79 32.200 32.608 -0.408 1
1 840 . 7 1 1 A 80 80 GLY H H 80 8.820 8.701 0.119 1
1 841 . 7 1 1 A 80 80 GLY HA2 H 80 4.020 3.947 0.073 1
1 842 . 7 1 1 A 80 80 GLY HA3 H 80 3.890 3.971 -0.081 1
1 843 . 7 1 1 A 80 80 GLY CA C 80 46.600 46.352 0.248 1
1 844 . 7 1 1 A 80 80 GLY N N 80 110.100 108.887 1.213 1
1 845 . 7 1 1 A 81 81 ASP H H 81 8.360 7.967 0.393 1
1 846 . 7 1 1 A 81 81 ASP HA H 81 4.560 4.514 0.046 1
1 849 . 7 1 1 A 81 81 ASP CA C 81 53.800 56.439 -2.639 1
1 850 . 7 1 1 A 81 81 ASP CB C 81 40.300 41.783 -1.483 1
1 851 . 7 1 1 A 81 81 ASP N N 81 114.800 119.382 -4.582 1
1 852 . 7 1 1 A 82 82 LEU H H 82 7.400 7.527 -0.127 1
1 853 . 7 1 1 A 82 82 LEU HA H 82 4.720 4.320 0.400 1
1 863 . 7 1 1 A 82 82 LEU CA C 82 52.800 54.560 -1.760 1
1 864 . 7 1 1 A 82 82 LEU CB C 82 42.900 41.998 0.902 1
1 868 . 7 1 1 A 82 82 LEU N N 82 115.500 119.921 -4.421 1
1 869 . 7 1 1 A 83 83 ALA H H 83 8.930 8.928 0.002 1
1 870 . 7 1 1 A 83 83 ALA HA H 83 4.530 4.617 -0.087 1
1 874 . 7 1 1 A 83 83 ALA CA C 83 50.900 51.327 -0.427 1
1 875 . 7 1 1 A 83 83 ALA CB C 83 19.600 19.412 0.188 1
1 876 . 7 1 1 A 83 83 ALA N N 83 124.900 124.086 0.814 1
1 877 . 7 1 1 A 84 84 VAL H H 84 8.570 8.960 -0.390 1
1 878 . 7 1 1 A 84 84 VAL HA H 84 3.930 4.353 -0.423 1
1 886 . 7 1 1 A 84 84 VAL CA C 84 61.300 61.857 -0.557 1
1 887 . 7 1 1 A 84 84 VAL CB C 84 32.800 31.764 1.036 1
1 890 . 7 1 1 A 84 84 VAL N N 84 126.800 124.374 2.426 1
1 891 . 7 1 1 A 85 85 THR H H 85 9.000 8.849 0.151 1
1 892 . 7 1 1 A 85 85 THR HA H 85 4.440 4.870 -0.430 1
1 897 . 7 1 1 A 85 85 THR CA C 85 61.900 61.853 0.047 1
1 898 . 7 1 1 A 85 85 THR CB C 85 70.100 70.357 -0.257 1
1 900 . 7 1 1 A 85 85 THR N N 85 125.500 123.603 1.897 1
1 901 . 7 1 1 A 86 86 VAL H H 86 8.280 8.930 -0.650 1
1 902 . 7 1 1 A 86 86 VAL HA H 86 5.010 5.401 -0.391 1
1 910 . 7 1 1 A 86 86 VAL CA C 86 59.300 59.617 -0.317 1
1 911 . 7 1 1 A 86 86 VAL CB C 86 33.700 35.881 -2.181 1
1 914 . 7 1 1 A 86 86 VAL N N 86 123.200 126.525 -3.325 1
1 915 . 7 1 1 A 87 87 GLU H H 87 8.560 8.533 0.027 1
1 916 . 7 1 1 A 87 87 GLU HA H 87 4.720 5.021 -0.301 1
1 921 . 7 1 1 A 87 87 GLU CA C 87 52.400 53.909 -1.509 1
1 922 . 7 1 1 A 87 87 GLU CB C 87 33.600 30.635 2.965 1
1 924 . 7 1 1 A 87 87 GLU N N 87 124.400 123.845 0.555 1
1 925 . 7 1 1 A 88 88 PRO HA H 88 4.770 4.885 -0.115 1
1 932 . 7 1 1 A 88 88 PRO CA C 88 62.800 61.866 0.934 1
1 933 . 7 1 1 A 88 88 PRO CB C 88 34.300 32.627 1.673 1
1 936 . 7 1 1 A 89 89 ARG H H 89 8.200 9.038 -0.838 1
1 937 . 7 1 1 A 89 89 ARG HA H 89 4.050 4.227 -0.177 1
1 945 . 7 1 1 A 89 89 ARG CA C 89 57.300 58.396 -1.096 1
1 946 . 7 1 1 A 89 89 ARG CB C 89 30.700 31.018 -0.318 1
1 949 . 7 1 1 A 89 89 ARG N N 89 114.400 120.295 -5.895 1
1 951 . 7 1 1 A 90 90 MET H H 90 7.750 7.846 -0.096 1
1 952 . 7 1 1 A 90 90 MET HA H 90 5.060 5.054 0.006 1
1 960 . 7 1 1 A 90 90 MET CA C 90 53.700 54.103 -0.403 1
1 961 . 7 1 1 A 90 90 MET CB C 90 34.700 37.942 -3.242 1
1 964 . 7 1 1 A 90 90 MET N N 90 115.900 117.672 -1.772 1
1 965 . 7 1 1 A 91 91 ALA H H 91 9.020 9.516 -0.496 1
1 966 . 7 1 1 A 91 91 ALA HA H 91 4.640 5.333 -0.693 1
1 970 . 7 1 1 A 91 91 ALA CA C 91 49.300 50.078 -0.778 1
1 971 . 7 1 1 A 91 91 ALA CB C 91 23.600 22.548 1.052 1
1 972 . 7 1 1 A 91 91 ALA N N 91 123.200 123.000 0.200 1
1 973 . 7 1 1 A 92 92 ARG H H 92 8.370 8.941 -0.571 1
1 974 . 7 1 1 A 92 92 ARG HA H 92 5.480 5.363 0.117 1
1 982 . 7 1 1 A 92 92 ARG CA C 92 54.000 54.792 -0.792 1
1 983 . 7 1 1 A 92 92 ARG CB C 92 32.600 32.863 -0.263 1
1 986 . 7 1 1 A 92 92 ARG N N 92 119.600 119.607 -0.007 1
1 988 . 7 1 1 A 93 93 VAL H H 93 8.920 8.777 0.143 1
1 989 . 7 1 1 A 93 93 VAL HA H 93 4.510 4.987 -0.477 1
1 997 . 7 1 1 A 93 93 VAL CA C 93 61.000 59.589 1.411 1
1 998 . 7 1 1 A 93 93 VAL CB C 93 36.900 34.571 2.329 1
1 1001 . 7 1 1 A 93 93 VAL N N 93 124.100 121.727 2.373 1
1 1002 . 7 1 1 A 94 94 GLN H H 94 8.930 9.267 -0.337 1
1 1003 . 7 1 1 A 94 94 GLN HA H 94 5.400 4.926 0.474 1
1 1010 . 7 1 1 A 94 94 GLN CA C 94 53.500 54.316 -0.816 1
1 1011 . 7 1 1 A 94 94 GLN CB C 94 30.300 31.577 -1.277 1
1 1013 . 7 1 1 A 94 94 GLN N N 94 127.900 128.856 -0.956 1
1 1015 . 7 1 1 A 95 95 LEU H H 95 8.870 9.158 -0.288 1
1 1016 . 7 1 1 A 95 95 LEU HA H 95 5.390 5.132 0.258 1
1 1026 . 7 1 1 A 95 95 LEU CA C 95 53.000 53.185 -0.185 1
1 1027 . 7 1 1 A 95 95 LEU CB C 95 44.800 44.575 0.225 1
1 1031 . 7 1 1 A 95 95 LEU N N 95 126.400 128.367 -1.967 1
1 1032 . 7 1 1 A 96 96 GLU H H 96 9.300 8.583 0.717 1
1 1033 . 7 1 1 A 96 96 GLU HA H 96 5.000 4.908 0.092 1
1 1038 . 7 1 1 A 96 96 GLU CA C 96 54.300 54.749 -0.449 1
1 1039 . 7 1 1 A 96 96 GLU CB C 96 33.800 33.306 0.494 1
1 1041 . 7 1 1 A 96 96 GLU N N 96 122.700 122.785 -0.085 1
1 1042 . 7 1 1 A 97 97 GLU H H 97 9.730 8.914 0.816 1
1 1043 . 7 1 1 A 97 97 GLU HA H 97 4.360 4.288 0.072 1
1 1048 . 7 1 1 A 97 97 GLU CA C 97 57.600 56.901 0.699 1
1 1049 . 7 1 1 A 97 97 GLU CB C 97 30.000 28.939 1.061 1
1 1051 . 7 1 1 A 97 97 GLU N N 97 126.200 123.626 2.574 1
1 1052 . 7 1 1 A 98 98 ARG H H 98 8.300 8.110 0.190 1
1 1053 . 7 1 1 A 98 98 ARG HA H 98 4.180 5.053 -0.873 1
1 1061 . 7 1 1 A 98 98 ARG CA C 98 56.800 54.487 2.313 1
1 1062 . 7 1 1 A 98 98 ARG CB C 98 30.700 33.784 -3.084 1
1 1065 . 7 1 1 A 98 98 ARG N N 98 126.500 121.554 4.946 1
1 1067 . 7 1 1 A 99 99 GLN H H 99 8.810 8.603 0.207 1
1 1068 . 7 1 1 A 99 99 GLN HA H 99 4.370 4.458 -0.088 1
1 1075 . 7 1 1 A 99 99 GLN CA C 99 55.600 55.935 -0.335 1
1 1076 . 7 1 1 A 99 99 GLN CB C 99 29.500 28.838 0.662 1
1 1078 . 7 1 1 A 99 99 GLN N N 99 123.700 123.824 -0.124 1
1 1080 . 7 1 1 A 100 100 THR H H 100 8.340 9.401 -1.061 1
1 1081 . 7 1 1 A 100 100 THR HA H 100 4.330 4.572 -0.242 1
1 1086 . 7 1 1 A 100 100 THR CA C 100 61.700 61.512 0.188 1
1 1087 . 7 1 1 A 100 100 THR CB C 100 69.800 69.624 0.176 1
1 1089 . 7 1 1 A 100 100 THR N N 100 116.700 115.739 0.961 1
1 1090 . 7 1 1 A 101 101 VAL H H 101 8.290 7.805 0.485 1
1 1091 . 7 1 1 A 101 101 VAL HA H 101 4.170 3.860 0.310 1
1 1099 . 7 1 1 A 101 101 VAL CA C 101 61.900 65.239 -3.339 1
1 1100 . 7 1 1 A 101 101 VAL CB C 101 32.800 29.614 3.186 1
1 1103 . 7 1 1 A 101 101 VAL N N 101 122.900 117.978 4.922 1
1 1104 . 7 1 1 A 102 102 SER H H 102 8.490 8.603 -0.113 1
1 1105 . 7 1 1 A 102 102 SER HA H 102 4.470 4.515 -0.045 1
1 1108 . 7 1 1 A 102 102 SER CA C 102 58.000 58.681 -0.681 1
1 1109 . 7 1 1 A 102 102 SER CB C 102 63.600 62.426 1.174 1
1 1110 . 7 1 1 A 102 102 SER N N 102 120.700 116.654 4.046 1
1 1111 . 7 1 1 A 103 103 VAL H H 103 8.240 8.363 -0.123 1
1 1112 . 7 1 1 A 103 103 VAL HA H 103 4.420 4.520 -0.100 1
1 1120 . 7 1 1 A 103 103 VAL CA C 103 59.700 59.691 0.009 1
1 1121 . 7 1 1 A 103 103 VAL CB C 103 32.700 32.353 0.347 1
1 1124 . 7 1 1 A 103 103 VAL N N 103 123.900 125.237 -1.337 1
1 1125 . 7 1 1 A 104 104 PRO HA H 104 4.420 4.602 -0.182 1
1 1132 . 7 1 1 A 104 104 PRO CA C 104 63.000 63.937 -0.937 1
1 1133 . 7 1 1 A 104 104 PRO CB C 104 32.000 32.603 -0.603 1
1 1136 . 7 1 1 A 105 105 VAL H H 105 8.340 7.668 0.672 1
1 1137 . 7 1 1 A 105 105 VAL HA H 105 4.130 4.472 -0.342 1
1 1145 . 7 1 1 A 105 105 VAL CA C 105 62.200 60.405 1.795 1
1 1146 . 7 1 1 A 105 105 VAL CB C 105 32.600 34.454 -1.854 1
1 1149 . 7 1 1 A 105 105 VAL N N 105 121.000 119.196 1.804 1
1 1150 . 7 1 1 A 106 106 THR H H 106 8.210 9.344 -1.134 1
1 1151 . 7 1 1 A 106 106 THR HA H 106 4.380 4.757 -0.377 1
1 1156 . 7 1 1 A 106 106 THR CA C 106 61.400 60.889 0.511 1
1 1157 . 7 1 1 A 106 106 THR CB C 106 70.000 69.363 0.637 1
1 1159 . 7 1 1 A 106 106 THR N N 106 118.700 122.475 -3.775 1
1 1160 . 7 1 1 A 107 107 VAL H H 107 8.280 7.678 0.602 1
1 1161 . 7 1 1 A 107 107 VAL HA H 107 4.050 3.956 0.094 1
1 1169 . 7 1 1 A 107 107 VAL CA C 107 62.600 63.662 -1.062 1
1 1170 . 7 1 1 A 107 107 VAL CB C 107 32.600 31.197 1.403 1
1 1173 . 7 1 1 A 107 107 VAL N N 107 122.700 123.479 -0.779 1
1 1174 . 7 1 1 A 108 108 GLU H H 108 8.500 8.614 -0.114 1
1 1175 . 7 1 1 A 108 108 GLU HA H 108 4.230 4.479 -0.249 1
1 1180 . 7 1 1 A 108 108 GLU CA C 108 56.600 57.107 -0.507 1
1 1181 . 7 1 1 A 108 108 GLU CB C 108 30.000 32.424 -2.424 1
1 1183 . 7 1 1 A 108 108 GLU N N 108 124.100 126.435 -2.335 1
1 1184 . 7 1 1 A 109 109 MET H H 109 8.570 7.740 0.830 1
1 1185 . 7 1 1 A 109 109 MET HA H 109 4.460 4.475 -0.015 1
1 1188 . 7 1 1 A 109 109 MET CA C 109 55.300 55.162 0.138 1
1 1189 . 7 1 1 A 109 109 MET CB C 109 26.800 32.564 -5.764 1
1 1190 . 7 1 1 A 109 109 MET N N 109 121.300 118.323 2.977 1
1 1191 . 7 1 1 A 110 110 ILE H H 110 8.280 8.726 -0.446 1
1 1192 . 7 1 1 A 110 110 ILE HA H 110 4.080 4.405 -0.325 1
1 1202 . 7 1 1 A 110 110 ILE CA C 110 61.400 61.949 -0.549 1
1 1203 . 7 1 1 A 110 110 ILE CB C 110 38.700 41.664 -2.964 1
1 1207 . 7 1 1 A 110 110 ILE N N 110 122.600 124.537 -1.937 1
1 1208 . 7 1 1 A 111 111 ASN H H 111 8.590 7.784 0.806 1
1 1209 . 7 1 1 A 111 111 ASN HA H 111 4.690 4.715 -0.025 1
1 1214 . 7 1 1 A 111 111 ASN CA C 111 53.000 53.151 -0.151 1
1 1215 . 7 1 1 A 111 111 ASN CB C 111 38.600 39.067 -0.467 1
1 1216 . 7 1 1 A 111 111 ASN N N 111 122.800 120.830 1.970 1
1 1218 . 7 1 1 A 112 112 LEU H H 112 8.340 8.967 -0.627 1
1 1219 . 7 1 1 A 112 112 LEU HA H 112 4.240 5.355 -1.115 1
1 1229 . 7 1 1 A 112 112 LEU CA C 112 55.400 53.137 2.263 1
1 1230 . 7 1 1 A 112 112 LEU CB C 112 42.100 46.317 -4.217 1
1 1 . 8 1 1 A 3 3 THR HA H 3 4.250 4.989 -0.739 1
1 6 . 8 1 1 A 3 3 THR CA C 3 62.000 61.422 0.578 1
1 7 . 8 1 1 A 3 3 THR CB C 3 69.700 72.210 -2.510 1
1 9 . 8 1 1 A 4 4 PHE H H 4 8.440 9.064 -0.624 1
1 10 . 8 1 1 A 4 4 PHE HA H 4 4.650 5.089 -0.439 1
1 17 . 8 1 1 A 4 4 PHE CA C 4 57.700 56.298 1.402 1
1 18 . 8 1 1 A 4 4 PHE CB C 4 39.400 42.502 -3.102 1
1 21 . 8 1 1 A 4 4 PHE N N 4 122.400 125.841 -3.441 1
1 22 . 8 1 1 A 5 5 ASP H H 5 8.500 7.480 1.020 1
1 23 . 8 1 1 A 5 5 ASP HA H 5 4.600 4.642 -0.042 1
1 26 . 8 1 1 A 5 5 ASP CA C 5 53.900 53.927 -0.027 1
1 27 . 8 1 1 A 5 5 ASP CB C 5 40.700 40.386 0.314 1
1 28 . 8 1 1 A 5 5 ASP N N 5 121.800 120.951 0.849 1
1 29 . 8 1 1 A 6 6 HIS H H 6 8.240 7.843 0.397 1
1 30 . 8 1 1 A 6 6 HIS HA H 6 4.780 5.588 -0.808 1
1 34 . 8 1 1 A 6 6 HIS CA C 6 55.300 53.229 2.071 1
1 35 . 8 1 1 A 6 6 HIS CB C 6 31.500 31.806 -0.306 1
1 37 . 8 1 1 A 6 6 HIS N N 6 120.400 120.777 -0.377 1
1 38 . 8 1 1 A 7 7 GLY H H 7 8.660 8.624 0.036 1
1 39 . 8 1 1 A 7 7 GLY HA2 H 7 4.500 4.162 0.338 1
1 40 . 8 1 1 A 7 7 GLY HA3 H 7 3.580 4.214 -0.634 1
1 41 . 8 1 1 A 7 7 GLY CA C 7 44.200 44.406 -0.206 1
1 42 . 8 1 1 A 7 7 GLY N N 7 109.200 112.630 -3.430 1
1 43 . 8 1 1 A 8 8 ASN H H 8 8.040 8.593 -0.553 1
1 44 . 8 1 1 A 8 8 ASN HA H 8 5.500 5.654 -0.154 1
1 49 . 8 1 1 A 8 8 ASN CA C 8 52.600 51.861 0.739 1
1 50 . 8 1 1 A 8 8 ASN CB C 8 42.700 41.689 1.011 1
1 51 . 8 1 1 A 8 8 ASN N N 8 115.100 118.699 -3.599 1
1 53 . 8 1 1 A 9 9 LEU H H 9 8.850 8.686 0.164 1
1 54 . 8 1 1 A 9 9 LEU HA H 9 4.530 4.704 -0.174 1
1 64 . 8 1 1 A 9 9 LEU CA C 9 54.700 54.502 0.198 1
1 65 . 8 1 1 A 9 9 LEU CB C 9 47.000 45.928 1.072 1
1 69 . 8 1 1 A 9 9 LEU N N 9 123.500 123.253 0.247 1
1 70 . 8 1 1 A 10 10 SER H H 10 8.850 9.167 -0.317 1
1 71 . 8 1 1 A 10 10 SER HA H 10 5.030 5.113 -0.083 1
1 74 . 8 1 1 A 10 10 SER CA C 10 57.000 58.681 -1.681 1
1 75 . 8 1 1 A 10 10 SER CB C 10 63.900 63.583 0.317 1
1 76 . 8 1 1 A 10 10 SER N N 10 121.800 123.193 -1.393 1
1 77 . 8 1 1 A 11 11 LEU H H 11 8.820 8.789 0.031 1
1 78 . 8 1 1 A 11 11 LEU HA H 11 4.460 4.494 -0.034 1
1 88 . 8 1 1 A 11 11 LEU CA C 11 54.400 56.093 -1.693 1
1 89 . 8 1 1 A 11 11 LEU CB C 11 41.900 43.003 -1.103 1
1 93 . 8 1 1 A 11 11 LEU N N 11 127.300 126.638 0.662 1
1 94 . 8 1 1 A 12 12 GLY H H 12 8.140 7.674 0.466 1
1 95 . 8 1 1 A 12 12 GLY HA2 H 12 3.720 4.055 -0.335 1
1 96 . 8 1 1 A 12 12 GLY HA3 H 12 4.080 4.071 0.009 1
1 97 . 8 1 1 A 12 12 GLY CA C 12 44.700 44.166 0.534 1
1 98 . 8 1 1 A 12 12 GLY N N 12 108.000 106.274 1.726 1
1 99 . 8 1 1 A 13 13 GLU H H 13 8.210 8.416 -0.206 1
1 100 . 8 1 1 A 13 13 GLU HA H 13 4.560 4.639 -0.079 1
1 105 . 8 1 1 A 13 13 GLU CA C 13 55.700 56.928 -1.228 1
1 106 . 8 1 1 A 13 13 GLU CB C 13 30.300 30.193 0.107 1
1 108 . 8 1 1 A 13 13 GLU N N 13 119.000 120.723 -1.723 1
1 109 . 8 1 1 A 14 14 LEU H H 14 9.360 9.110 0.250 1
1 110 . 8 1 1 A 14 14 LEU HA H 14 4.720 5.016 -0.296 1
1 120 . 8 1 1 A 14 14 LEU CA C 14 53.400 53.373 0.027 1
1 121 . 8 1 1 A 14 14 LEU CB C 14 44.200 45.157 -0.957 1
1 125 . 8 1 1 A 14 14 LEU N N 14 126.700 127.068 -0.368 1
1 126 . 8 1 1 A 15 15 GLU H H 15 8.680 8.489 0.191 1
1 127 . 8 1 1 A 15 15 GLU HA H 15 4.240 4.588 -0.348 1
1 132 . 8 1 1 A 15 15 GLU CA C 15 56.900 56.555 0.345 1
1 133 . 8 1 1 A 15 15 GLU CB C 15 29.900 30.383 -0.483 1
1 135 . 8 1 1 A 15 15 GLU N N 15 120.600 122.176 -1.576 1
1 136 . 8 1 1 A 16 16 LEU H H 16 7.740 8.585 -0.845 1
1 137 . 8 1 1 A 16 16 LEU HA H 16 4.360 4.798 -0.438 1
1 147 . 8 1 1 A 16 16 LEU CA C 16 54.000 54.215 -0.215 1
1 148 . 8 1 1 A 16 16 LEU CB C 16 43.300 43.073 0.227 1
1 152 . 8 1 1 A 16 16 LEU N N 16 125.200 125.864 -0.664 1
1 153 . 8 1 1 A 17 17 THR H H 17 8.500 9.245 -0.745 1
1 154 . 8 1 1 A 17 17 THR HA H 17 4.420 4.791 -0.371 1
1 159 . 8 1 1 A 17 17 THR CA C 17 63.100 62.360 0.740 1
1 160 . 8 1 1 A 17 17 THR CB C 17 69.600 69.142 0.458 1
1 162 . 8 1 1 A 17 17 THR N N 17 127.300 124.047 3.253 1
1 163 . 8 1 1 A 18 18 VAL H H 18 8.840 9.212 -0.372 1
1 164 . 8 1 1 A 18 18 VAL HA H 18 4.490 4.998 -0.508 1
1 172 . 8 1 1 A 18 18 VAL CA C 18 61.100 60.779 0.321 1
1 173 . 8 1 1 A 18 18 VAL CB C 18 33.300 34.492 -1.192 1
1 176 . 8 1 1 A 18 18 VAL N N 18 127.000 127.545 -0.545 1
1 177 . 8 1 1 A 19 19 LEU H H 19 8.830 8.521 0.309 1
1 178 . 8 1 1 A 19 19 LEU HA H 19 4.920 4.957 -0.037 1
1 188 . 8 1 1 A 19 19 LEU CA C 19 53.400 53.965 -0.565 1
1 189 . 8 1 1 A 19 19 LEU CB C 19 41.200 43.075 -1.875 1
1 193 . 8 1 1 A 19 19 LEU N N 19 128.500 127.762 0.738 1
1 194 . 8 1 1 A 20 20 TYR H H 20 8.470 8.782 -0.312 1
1 195 . 8 1 1 A 20 20 TYR HA H 20 4.280 5.406 -1.126 1
1 202 . 8 1 1 A 20 20 TYR CA C 20 55.600 55.081 0.519 1
1 203 . 8 1 1 A 20 20 TYR CB C 20 38.200 41.078 -2.878 1
1 206 . 8 1 1 A 20 20 TYR N N 20 120.300 122.225 -1.925 1
1 207 . 8 1 1 A 21 21 ASP H H 21 8.920 8.943 -0.023 1
1 208 . 8 1 1 A 21 21 ASP HA H 21 4.640 4.851 -0.211 1
1 211 . 8 1 1 A 21 21 ASP CA C 21 53.000 53.325 -0.325 1
1 212 . 8 1 1 A 21 21 ASP CB C 21 39.300 41.468 -2.168 1
1 213 . 8 1 1 A 21 21 ASP N N 21 118.600 121.649 -3.049 1
1 214 . 8 1 1 A 22 22 GLU H H 22 7.930 8.786 -0.856 1
1 215 . 8 1 1 A 22 22 GLU HA H 22 4.250 4.200 0.050 1
1 220 . 8 1 1 A 22 22 GLU CA C 22 57.000 58.601 -1.601 1
1 221 . 8 1 1 A 22 22 GLU CB C 22 29.000 29.050 -0.050 1
1 223 . 8 1 1 A 22 22 GLU N N 22 126.600 125.395 1.205 1
1 224 . 8 1 1 A 23 23 GLU H H 23 8.060 7.791 0.269 1
1 225 . 8 1 1 A 23 23 GLU HA H 23 4.130 4.213 -0.083 1
1 230 . 8 1 1 A 23 23 GLU CA C 23 57.800 58.946 -1.146 1
1 231 . 8 1 1 A 23 23 GLU CB C 23 29.500 29.756 -0.256 1
1 233 . 8 1 1 A 23 23 GLU N N 23 117.800 119.315 -1.515 1
1 234 . 8 1 1 A 24 24 ARG H H 24 7.070 8.127 -1.057 1
1 235 . 8 1 1 A 24 24 ARG HA H 24 4.170 4.476 -0.306 1
1 243 . 8 1 1 A 24 24 ARG CA C 24 56.500 55.427 1.073 1
1 244 . 8 1 1 A 24 24 ARG CB C 24 33.500 31.853 1.647 1
1 247 . 8 1 1 A 24 24 ARG N N 24 116.700 115.355 1.345 1
1 249 . 8 1 1 A 25 25 TYR H H 25 8.150 7.438 0.712 1
1 250 . 8 1 1 A 25 25 TYR HA H 25 5.470 4.896 0.574 1
1 257 . 8 1 1 A 25 25 TYR CA C 25 56.900 56.789 0.111 1
1 258 . 8 1 1 A 25 25 TYR CB C 25 43.100 38.045 5.055 1
1 261 . 8 1 1 A 25 25 TYR N N 25 116.800 119.765 -2.965 1
1 262 . 8 1 1 A 26 26 ASP H H 26 9.120 8.610 0.510 1
1 263 . 8 1 1 A 26 26 ASP HA H 26 5.250 5.102 0.148 1
1 266 . 8 1 1 A 26 26 ASP CA C 26 52.400 52.142 0.258 1
1 267 . 8 1 1 A 26 26 ASP CB C 26 44.500 44.401 0.099 1
1 268 . 8 1 1 A 26 26 ASP N N 26 116.900 125.670 -8.770 1
1 269 . 8 1 1 A 27 27 ILE H H 27 8.640 8.585 0.055 1
1 270 . 8 1 1 A 27 27 ILE HA H 27 4.100 4.282 -0.182 1
1 280 . 8 1 1 A 27 27 ILE CA C 27 61.400 60.848 0.552 1
1 281 . 8 1 1 A 27 27 ILE CB C 27 38.600 37.026 1.574 1
1 285 . 8 1 1 A 27 27 ILE N N 27 121.200 124.693 -3.493 1
1 286 . 8 1 1 A 28 28 VAL H H 28 8.840 8.633 0.207 1
1 287 . 8 1 1 A 28 28 VAL HA H 28 3.930 3.928 0.002 1
1 295 . 8 1 1 A 28 28 VAL CA C 28 63.800 64.291 -0.491 1
1 296 . 8 1 1 A 28 28 VAL CB C 28 32.900 32.498 0.402 1
1 299 . 8 1 1 A 28 28 VAL N N 28 128.700 129.470 -0.770 1
1 300 . 8 1 1 A 29 29 GLU H H 29 7.180 7.718 -0.538 1
1 301 . 8 1 1 A 29 29 GLU HA H 29 4.490 4.732 -0.242 1
1 306 . 8 1 1 A 29 29 GLU CA C 29 55.200 54.929 0.271 1
1 307 . 8 1 1 A 29 29 GLU CB C 29 32.900 34.152 -1.252 1
1 309 . 8 1 1 A 29 29 GLU N N 29 116.000 119.144 -3.144 1
1 310 . 8 1 1 A 30 30 GLN H H 30 8.760 8.855 -0.095 1
1 311 . 8 1 1 A 30 30 GLN HA H 30 5.450 5.225 0.225 1
1 314 . 8 1 1 A 30 30 GLN CA C 30 54.200 54.544 -0.344 1
1 315 . 8 1 1 A 30 30 GLN CB C 30 33.100 31.796 1.304 1
1 316 . 8 1 1 A 30 30 GLN N N 30 117.200 118.337 -1.137 1
1 317 . 8 1 1 A 31 31 THR H H 31 8.200 8.576 -0.376 1
1 318 . 8 1 1 A 31 31 THR HA H 31 4.160 4.207 -0.047 1
1 323 . 8 1 1 A 31 31 THR CA C 31 64.500 63.344 1.156 1
1 324 . 8 1 1 A 31 31 THR CB C 31 70.300 67.931 2.369 1
1 326 . 8 1 1 A 31 31 THR N N 31 119.400 116.523 2.877 1
1 327 . 8 1 1 A 32 32 GLU H H 32 9.230 8.987 0.243 1
1 328 . 8 1 1 A 32 32 GLU HA H 32 4.170 4.209 -0.039 1
1 333 . 8 1 1 A 32 32 GLU CA C 32 60.000 59.240 0.760 1
1 334 . 8 1 1 A 32 32 GLU CB C 32 31.000 30.623 0.377 1
1 336 . 8 1 1 A 32 32 GLU N N 32 129.600 128.212 1.388 1
1 337 . 8 1 1 A 33 33 THR H H 33 7.510 8.174 -0.664 1
1 338 . 8 1 1 A 33 33 THR HA H 33 5.320 5.288 0.032 1
1 343 . 8 1 1 A 33 33 THR CA C 33 58.500 60.038 -1.538 1
1 344 . 8 1 1 A 33 33 THR CB C 33 73.100 71.944 1.156 1
1 346 . 8 1 1 A 33 33 THR N N 33 107.500 110.075 -2.575 1
1 347 . 8 1 1 A 34 34 VAL H H 34 8.700 9.049 -0.349 1
1 348 . 8 1 1 A 34 34 VAL HA H 34 4.670 5.043 -0.373 1
1 356 . 8 1 1 A 34 34 VAL CA C 34 59.200 58.854 0.346 1
1 357 . 8 1 1 A 34 34 VAL CB C 34 35.200 35.637 -0.437 1
1 360 . 8 1 1 A 34 34 VAL N N 34 112.000 118.284 -6.284 1
1 361 . 8 1 1 A 35 35 GLN H H 35 8.930 8.911 0.019 1
1 362 . 8 1 1 A 35 35 GLN HA H 35 4.790 5.407 -0.617 1
1 369 . 8 1 1 A 35 35 GLN CA C 35 54.800 54.676 0.124 1
1 370 . 8 1 1 A 35 35 GLN CB C 35 29.900 31.037 -1.137 1
1 372 . 8 1 1 A 35 35 GLN N N 35 123.200 122.764 0.436 1
1 374 . 8 1 1 A 36 36 VAL H H 36 7.940 8.377 -0.437 1
1 375 . 8 1 1 A 36 36 VAL HA H 36 4.850 5.284 -0.434 1
1 383 . 8 1 1 A 36 36 VAL CA C 36 61.300 59.343 1.957 1
1 384 . 8 1 1 A 36 36 VAL CB C 36 34.200 35.190 -0.990 1
1 387 . 8 1 1 A 36 36 VAL N N 36 124.300 126.371 -2.071 1
1 388 . 8 1 1 A 37 37 ASP H H 37 8.670 9.384 -0.714 1
1 389 . 8 1 1 A 37 37 ASP HA H 37 5.240 5.128 0.112 1
1 392 . 8 1 1 A 37 37 ASP CA C 37 53.000 52.748 0.252 1
1 393 . 8 1 1 A 37 37 ASP CB C 37 44.700 44.682 0.018 1
1 394 . 8 1 1 A 37 37 ASP N N 37 126.900 126.980 -0.080 1
1 395 . 8 1 1 A 38 38 LEU H H 38 8.850 8.935 -0.085 1
1 396 . 8 1 1 A 38 38 LEU HA H 38 5.160 5.252 -0.092 1
1 406 . 8 1 1 A 38 38 LEU CA C 38 52.400 53.284 -0.884 1
1 407 . 8 1 1 A 38 38 LEU CB C 38 46.100 45.264 0.836 1
1 411 . 8 1 1 A 38 38 LEU N N 38 119.100 121.198 -2.098 1
1 412 . 8 1 1 A 39 39 GLU H H 39 8.380 9.138 -0.758 1
1 413 . 8 1 1 A 39 39 GLU HA H 39 5.210 5.066 0.144 1
1 418 . 8 1 1 A 39 39 GLU CA C 39 54.600 54.586 0.014 1
1 419 . 8 1 1 A 39 39 GLU CB C 39 33.900 33.097 0.803 1
1 421 . 8 1 1 A 39 39 GLU N N 39 120.800 120.610 0.190 1
1 422 . 8 1 1 A 40 40 GLY H H 40 8.110 7.452 0.658 1
1 423 . 8 1 1 A 40 40 GLY HA2 H 40 4.230 3.930 0.300 1
1 424 . 8 1 1 A 40 40 GLY HA3 H 40 3.730 4.004 -0.274 1
1 425 . 8 1 1 A 40 40 GLY CA C 40 45.000 43.903 1.097 1
1 426 . 8 1 1 A 40 40 GLY N N 40 110.000 108.208 1.792 1
1 427 . 8 1 1 A 41 41 PRO HA H 41 4.380 5.035 -0.655 1
1 434 . 8 1 1 A 41 41 PRO CA C 41 62.200 63.093 -0.893 1
1 435 . 8 1 1 A 41 41 PRO CB C 41 32.400 31.794 0.606 1
1 438 . 8 1 1 A 42 42 ARG H H 42 9.020 8.567 0.453 1
1 439 . 8 1 1 A 42 42 ARG HA H 42 3.790 3.888 -0.098 1
1 446 . 8 1 1 A 42 42 ARG CA C 42 60.400 58.792 1.608 1
1 447 . 8 1 1 A 42 42 ARG CB C 42 29.900 29.643 0.257 1
1 450 . 8 1 1 A 42 42 ARG N N 42 125.500 123.822 1.678 1
1 451 . 8 1 1 A 43 43 GLY H H 43 9.310 8.378 0.932 1
1 452 . 8 1 1 A 43 43 GLY HA2 H 43 3.890 3.759 0.131 1
1 453 . 8 1 1 A 43 43 GLY HA3 H 43 3.890 3.760 0.130 1
1 454 . 8 1 1 A 43 43 GLY CA C 43 47.000 47.486 -0.486 1
1 455 . 8 1 1 A 43 43 GLY N N 43 107.200 109.073 -1.873 1
1 456 . 8 1 1 A 44 44 VAL H H 44 6.930 8.094 -1.164 1
1 457 . 8 1 1 A 44 44 VAL HA H 44 3.800 3.770 0.030 1
1 465 . 8 1 1 A 44 44 VAL CA C 44 65.100 65.946 -0.846 1
1 466 . 8 1 1 A 44 44 VAL CB C 44 32.000 31.857 0.143 1
1 469 . 8 1 1 A 44 44 VAL N N 44 121.100 122.481 -1.381 1
1 470 . 8 1 1 A 45 45 LEU H H 45 7.830 7.589 0.241 1
1 471 . 8 1 1 A 45 45 LEU HA H 45 3.890 3.930 -0.040 1
1 481 . 8 1 1 A 45 45 LEU CA C 45 58.100 57.929 0.171 1
1 482 . 8 1 1 A 45 45 LEU CB C 45 41.800 41.435 0.365 1
1 486 . 8 1 1 A 45 45 LEU N N 45 120.700 119.420 1.280 1
1 487 . 8 1 1 A 46 46 THR H H 46 8.340 8.224 0.116 1
1 488 . 8 1 1 A 46 46 THR HA H 46 3.850 3.714 0.136 1
1 493 . 8 1 1 A 46 46 THR CA C 46 66.800 66.405 0.395 1
1 494 . 8 1 1 A 46 46 THR CB C 46 68.800 67.838 0.962 1
1 496 . 8 1 1 A 46 46 THR N N 46 114.900 116.072 -1.172 1
1 497 . 8 1 1 A 47 47 VAL H H 47 7.210 7.767 -0.557 1
1 498 . 8 1 1 A 47 47 VAL HA H 47 3.820 3.806 0.014 1
1 506 . 8 1 1 A 47 47 VAL CA C 47 65.600 66.651 -1.051 1
1 507 . 8 1 1 A 47 47 VAL CB C 47 31.900 31.676 0.224 1
1 510 . 8 1 1 A 47 47 VAL N N 47 119.600 121.218 -1.618 1
1 511 . 8 1 1 A 48 48 PHE H H 48 8.140 8.493 -0.353 1
1 512 . 8 1 1 A 48 48 PHE HA H 48 4.210 4.021 0.189 1
1 520 . 8 1 1 A 48 48 PHE CA C 48 61.100 60.744 0.356 1
1 521 . 8 1 1 A 48 48 PHE CB C 48 39.200 39.184 0.016 1
1 525 . 8 1 1 A 48 48 PHE N N 48 120.600 120.231 0.369 1
1 526 . 8 1 1 A 49 49 ARG H H 49 8.150 7.999 0.151 1
1 527 . 8 1 1 A 49 49 ARG HA H 49 3.710 3.933 -0.223 1
1 534 . 8 1 1 A 49 49 ARG CA C 49 58.500 59.435 -0.935 1
1 535 . 8 1 1 A 49 49 ARG CB C 49 30.000 29.661 0.339 1
1 538 . 8 1 1 A 49 49 ARG N N 49 117.500 118.727 -1.227 1
1 539 . 8 1 1 A 50 50 PHE H H 50 7.270 7.220 0.050 1
1 540 . 8 1 1 A 50 50 PHE HA H 50 4.620 4.255 0.365 1
1 548 . 8 1 1 A 50 50 PHE CA C 50 57.700 60.163 -2.463 1
1 549 . 8 1 1 A 50 50 PHE CB C 50 39.600 39.281 0.319 1
1 553 . 8 1 1 A 50 50 PHE N N 50 115.500 115.815 -0.315 1
1 554 . 8 1 1 A 51 51 ALA H H 51 7.620 7.550 0.070 1
1 555 . 8 1 1 A 51 51 ALA HA H 51 4.320 4.360 -0.040 1
1 559 . 8 1 1 A 51 51 ALA CA C 51 51.700 51.932 -0.232 1
1 560 . 8 1 1 A 51 51 ALA CB C 51 19.300 20.573 -1.273 1
1 561 . 8 1 1 A 51 51 ALA N N 51 124.200 121.367 2.833 1
1 562 . 8 1 1 A 52 52 ARG H H 52 8.570 8.316 0.254 1
1 563 . 8 1 1 A 52 52 ARG HA H 52 4.270 4.693 -0.423 1
1 570 . 8 1 1 A 52 52 ARG CA C 52 54.700 54.037 0.663 1
1 571 . 8 1 1 A 52 52 ARG CB C 52 29.300 29.464 -0.164 1
1 574 . 8 1 1 A 52 52 ARG N N 52 123.500 118.740 4.760 1
1 575 . 8 1 1 A 53 53 PRO HA H 53 4.240 4.676 -0.436 1
1 582 . 8 1 1 A 53 53 PRO CA C 53 63.600 63.336 0.264 1
1 583 . 8 1 1 A 53 53 PRO CB C 53 31.600 32.085 -0.485 1
1 586 . 8 1 1 A 54 54 SER H H 54 8.100 9.009 -0.909 1
1 587 . 8 1 1 A 54 54 SER HA H 54 4.390 4.796 -0.406 1
1 590 . 8 1 1 A 54 54 SER CA C 54 57.200 57.878 -0.678 1
1 591 . 8 1 1 A 54 54 SER CB C 54 63.100 64.514 -1.414 1
1 592 . 8 1 1 A 54 54 SER N N 54 117.200 119.148 -1.948 1
1 593 . 8 1 1 A 55 55 TYR H H 55 6.640 7.494 -0.854 1
1 594 . 8 1 1 A 55 55 TYR HA H 55 5.030 5.512 -0.482 1
1 601 . 8 1 1 A 55 55 TYR CA C 55 53.900 55.547 -1.647 1
1 602 . 8 1 1 A 55 55 TYR CB C 55 39.200 41.923 -2.723 1
1 605 . 8 1 1 A 55 55 TYR N N 55 119.200 118.385 0.815 1
1 606 . 8 1 1 A 56 56 GLU H H 56 8.890 8.655 0.235 1
1 607 . 8 1 1 A 56 56 GLU HA H 56 4.740 5.170 -0.430 1
1 612 . 8 1 1 A 56 56 GLU CA C 56 55.700 54.985 0.715 1
1 613 . 8 1 1 A 56 56 GLU CB C 56 35.000 33.657 1.343 1
1 615 . 8 1 1 A 56 56 GLU N N 56 118.800 122.411 -3.611 1
1 616 . 8 1 1 A 57 57 VAL H H 57 8.830 8.569 0.261 1
1 617 . 8 1 1 A 57 57 VAL HA H 57 5.370 4.850 0.520 1
1 625 . 8 1 1 A 57 57 VAL CA C 57 59.900 61.470 -1.570 1
1 626 . 8 1 1 A 57 57 VAL CB C 57 33.300 32.974 0.326 1
1 629 . 8 1 1 A 57 57 VAL N N 57 117.800 122.117 -4.317 1
1 630 . 8 1 1 A 58 58 PHE H H 58 8.870 8.695 0.175 1
1 631 . 8 1 1 A 58 58 PHE HA H 58 6.090 5.707 0.383 1
1 634 . 8 1 1 A 58 58 PHE CA C 58 55.600 56.655 -1.055 1
1 635 . 8 1 1 A 58 58 PHE CB C 58 42.700 43.148 -0.448 1
1 636 . 8 1 1 A 58 58 PHE N N 58 120.600 128.238 -7.638 1
1 637 . 8 1 1 A 59 59 VAL H H 59 8.270 8.245 0.025 1
1 638 . 8 1 1 A 59 59 VAL HA H 59 4.730 4.328 0.402 1
1 646 . 8 1 1 A 59 59 VAL CA C 59 58.500 60.035 -1.535 1
1 647 . 8 1 1 A 59 59 VAL CB C 59 34.800 35.683 -0.883 1
1 650 . 8 1 1 A 59 59 VAL N N 59 108.700 124.102 -15.402 1
1 651 . 8 1 1 A 60 60 ASP H H 60 9.360 8.575 0.785 1
1 652 . 8 1 1 A 60 60 ASP HA H 60 5.080 4.694 0.386 1
1 655 . 8 1 1 A 60 60 ASP CA C 60 52.700 52.700 0.000 1
1 656 . 8 1 1 A 60 60 ASP CB C 60 41.100 42.356 -1.256 1
1 657 . 8 1 1 A 60 60 ASP N N 60 123.000 126.791 -3.791 1
1 658 . 8 1 1 A 61 61 LEU H H 61 9.230 8.244 0.986 1
1 659 . 8 1 1 A 61 61 LEU HA H 61 4.670 4.732 -0.062 1
1 669 . 8 1 1 A 61 61 LEU CA C 61 53.300 53.831 -0.531 1
1 670 . 8 1 1 A 61 61 LEU CB C 61 40.900 42.792 -1.892 1
1 674 . 8 1 1 A 61 61 LEU N N 61 128.600 127.567 1.033 1
1 675 . 8 1 1 A 62 62 THR H H 62 8.720 7.882 0.838 1
1 676 . 8 1 1 A 62 62 THR HA H 62 3.590 3.953 -0.363 1
1 681 . 8 1 1 A 62 62 THR CA C 62 67.000 65.531 1.469 1
1 682 . 8 1 1 A 62 62 THR CB C 62 69.100 68.285 0.815 1
1 684 . 8 1 1 A 62 62 THR N N 62 115.800 113.710 2.090 1
1 685 . 8 1 1 A 63 63 GLU H H 63 8.490 7.886 0.604 1
1 686 . 8 1 1 A 63 63 GLU HA H 63 4.530 4.071 0.459 1
1 691 . 8 1 1 A 63 63 GLU CA C 63 55.100 58.993 -3.893 1
1 692 . 8 1 1 A 63 63 GLU CB C 63 29.200 29.801 -0.601 1
1 694 . 8 1 1 A 63 63 GLU N N 63 118.800 122.741 -3.941 1
1 695 . 8 1 1 A 64 64 ALA H H 64 7.100 7.845 -0.745 1
1 696 . 8 1 1 A 64 64 ALA HA H 64 4.130 3.835 0.295 1
1 700 . 8 1 1 A 64 64 ALA CA C 64 51.500 53.973 -2.473 1
1 701 . 8 1 1 A 64 64 ALA CB C 64 20.900 17.706 3.194 1
1 702 . 8 1 1 A 64 64 ALA N N 64 123.700 121.416 2.284 1
1 703 . 8 1 1 A 65 65 GLY H H 65 7.800 8.627 -0.827 1
1 704 . 8 1 1 A 65 65 GLY HA2 H 65 4.180 4.161 0.019 1
1 705 . 8 1 1 A 65 65 GLY HA3 H 65 3.540 4.206 -0.666 1
1 706 . 8 1 1 A 65 65 GLY CA C 65 42.600 45.935 -3.335 1
1 707 . 8 1 1 A 65 65 GLY N N 65 106.800 104.880 1.920 1
1 708 . 8 1 1 A 66 66 GLU H H 66 8.490 8.705 -0.215 1
1 709 . 8 1 1 A 66 66 GLU HA H 66 3.750 4.907 -1.157 1
1 714 . 8 1 1 A 66 66 GLU CA C 66 57.400 55.340 2.060 1
1 715 . 8 1 1 A 66 66 GLU CB C 66 30.300 32.729 -2.429 1
1 717 . 8 1 1 A 66 66 GLU N N 66 119.900 121.828 -1.928 1
1 718 . 8 1 1 A 67 67 GLY H H 67 8.470 8.471 -0.001 1
1 719 . 8 1 1 A 67 67 GLY HA2 H 67 3.770 4.108 -0.338 1
1 720 . 8 1 1 A 67 67 GLY HA3 H 67 4.390 4.110 0.280 1
1 721 . 8 1 1 A 67 67 GLY CA C 67 43.400 44.925 -1.525 1
1 722 . 8 1 1 A 67 67 GLY N N 67 110.800 110.611 0.189 1
1 723 . 8 1 1 A 68 68 SER H H 68 8.250 8.246 0.004 1
1 724 . 8 1 1 A 68 68 SER HA H 68 4.610 4.983 -0.373 1
1 727 . 8 1 1 A 68 68 SER CA C 68 57.700 58.480 -0.780 1
1 728 . 8 1 1 A 68 68 SER CB C 68 63.300 63.746 -0.446 1
1 729 . 8 1 1 A 68 68 SER N N 68 114.500 115.457 -0.957 1
1 730 . 8 1 1 A 69 69 HIS H H 69 8.780 8.690 0.090 1
1 731 . 8 1 1 A 69 69 HIS HA H 69 4.790 5.002 -0.212 1
1 734 . 8 1 1 A 69 69 HIS CA C 69 55.300 54.857 0.443 1
1 735 . 8 1 1 A 69 69 HIS CB C 69 33.900 33.523 0.377 1
1 736 . 8 1 1 A 69 69 HIS N N 69 125.400 123.990 1.410 1
1 737 . 8 1 1 A 70 70 THR H H 70 8.870 8.845 0.025 1
1 738 . 8 1 1 A 70 70 THR HA H 70 5.380 5.457 -0.077 1
1 743 . 8 1 1 A 70 70 THR CA C 70 61.600 62.149 -0.549 1
1 744 . 8 1 1 A 70 70 THR CB C 70 69.400 69.688 -0.288 1
1 746 . 8 1 1 A 70 70 THR N N 70 121.200 117.457 3.743 1
1 747 . 8 1 1 A 71 71 VAL H H 71 8.860 8.955 -0.095 1
1 748 . 8 1 1 A 71 71 VAL HA H 71 4.730 4.925 -0.195 1
1 756 . 8 1 1 A 71 71 VAL CA C 71 58.900 58.750 0.150 1
1 757 . 8 1 1 A 71 71 VAL CB C 71 36.000 35.273 0.727 1
1 760 . 8 1 1 A 71 71 VAL N N 71 122.100 120.057 2.043 1
1 761 . 8 1 1 A 72 72 ASP H H 72 8.610 8.511 0.099 1
1 762 . 8 1 1 A 72 72 ASP HA H 72 4.660 4.756 -0.096 1
1 765 . 8 1 1 A 72 72 ASP CA C 72 55.500 54.962 0.538 1
1 766 . 8 1 1 A 72 72 ASP CB C 72 40.800 41.401 -0.601 1
1 767 . 8 1 1 A 72 72 ASP N N 72 124.300 121.223 3.077 1
1 768 . 8 1 1 A 73 73 VAL H H 73 8.090 8.447 -0.357 1
1 769 . 8 1 1 A 73 73 VAL HA H 73 3.770 4.238 -0.468 1
1 777 . 8 1 1 A 73 73 VAL CA C 73 63.600 62.096 1.504 1
1 778 . 8 1 1 A 73 73 VAL CB C 73 31.600 32.804 -1.204 1
1 781 . 8 1 1 A 73 73 VAL N N 73 121.400 123.019 -1.619 1
1 782 . 8 1 1 A 74 74 GLU H H 74 8.900 8.058 0.842 1
1 783 . 8 1 1 A 74 74 GLU HA H 74 4.370 4.674 -0.304 1
1 788 . 8 1 1 A 74 74 GLU CA C 74 54.700 55.722 -1.022 1
1 789 . 8 1 1 A 74 74 GLU CB C 74 33.300 31.553 1.747 1
1 791 . 8 1 1 A 74 74 GLU N N 74 129.600 127.039 2.561 1
1 792 . 8 1 1 A 75 75 HIS H H 75 7.940 8.880 -0.940 1
1 793 . 8 1 1 A 75 75 HIS HA H 75 5.830 5.269 0.561 1
1 796 . 8 1 1 A 75 75 HIS CA C 75 54.100 54.576 -0.476 1
1 797 . 8 1 1 A 75 75 HIS CB C 75 39.500 33.910 5.590 1
1 798 . 8 1 1 A 75 75 HIS N N 75 112.800 119.065 -6.265 1
1 799 . 8 1 1 A 76 76 ARG H H 76 9.210 8.403 0.807 1
1 800 . 8 1 1 A 76 76 ARG HA H 76 5.170 4.663 0.507 1
1 805 . 8 1 1 A 76 76 ARG CA C 76 55.300 54.365 0.935 1
1 806 . 8 1 1 A 76 76 ARG CB C 76 33.400 33.345 0.055 1
1 808 . 8 1 1 A 76 76 ARG N N 76 117.100 118.925 -1.825 1
1 809 . 8 1 1 A 77 77 GLY H H 77 8.740 8.272 0.468 1
1 810 . 8 1 1 A 77 77 GLY HA2 H 77 4.410 4.111 0.299 1
1 811 . 8 1 1 A 77 77 GLY HA3 H 77 3.670 4.242 -0.572 1
1 812 . 8 1 1 A 77 77 GLY CA C 77 45.400 45.663 -0.263 1
1 813 . 8 1 1 A 77 77 GLY N N 77 107.400 109.167 -1.767 1
1 814 . 8 1 1 A 78 78 PHE H H 78 7.920 7.845 0.075 1
1 815 . 8 1 1 A 78 78 PHE HA H 78 4.450 4.665 -0.215 1
1 823 . 8 1 1 A 78 78 PHE CA C 78 54.200 54.804 -0.604 1
1 824 . 8 1 1 A 78 78 PHE CB C 78 41.000 39.758 1.242 1
1 828 . 8 1 1 A 78 78 PHE N N 78 120.200 118.686 1.514 1
1 829 . 8 1 1 A 79 79 PRO HA H 79 4.470 4.768 -0.298 1
1 836 . 8 1 1 A 79 79 PRO CA C 79 63.300 62.328 0.972 1
1 837 . 8 1 1 A 79 79 PRO CB C 79 32.200 32.668 -0.468 1
1 840 . 8 1 1 A 80 80 GLY H H 80 8.820 8.682 0.138 1
1 841 . 8 1 1 A 80 80 GLY HA2 H 80 4.020 3.940 0.080 1
1 842 . 8 1 1 A 80 80 GLY HA3 H 80 3.890 3.955 -0.065 1
1 843 . 8 1 1 A 80 80 GLY CA C 80 46.600 45.499 1.101 1
1 844 . 8 1 1 A 80 80 GLY N N 80 110.100 109.410 0.690 1
1 845 . 8 1 1 A 81 81 ASP H H 81 8.360 7.866 0.494 1
1 846 . 8 1 1 A 81 81 ASP HA H 81 4.560 4.428 0.132 1
1 849 . 8 1 1 A 81 81 ASP CA C 81 53.800 56.469 -2.669 1
1 850 . 8 1 1 A 81 81 ASP CB C 81 40.300 41.007 -0.707 1
1 851 . 8 1 1 A 81 81 ASP N N 81 114.800 119.366 -4.566 1
1 852 . 8 1 1 A 82 82 LEU H H 82 7.400 7.393 0.007 1
1 853 . 8 1 1 A 82 82 LEU HA H 82 4.720 4.409 0.311 1
1 863 . 8 1 1 A 82 82 LEU CA C 82 52.800 54.584 -1.784 1
1 864 . 8 1 1 A 82 82 LEU CB C 82 42.900 42.086 0.814 1
1 868 . 8 1 1 A 82 82 LEU N N 82 115.500 121.358 -5.858 1
1 869 . 8 1 1 A 83 83 ALA H H 83 8.930 8.622 0.308 1
1 870 . 8 1 1 A 83 83 ALA HA H 83 4.530 4.635 -0.105 1
1 874 . 8 1 1 A 83 83 ALA CA C 83 50.900 51.277 -0.377 1
1 875 . 8 1 1 A 83 83 ALA CB C 83 19.600 19.347 0.253 1
1 876 . 8 1 1 A 83 83 ALA N N 83 124.900 123.590 1.310 1
1 877 . 8 1 1 A 84 84 VAL H H 84 8.570 8.891 -0.321 1
1 878 . 8 1 1 A 84 84 VAL HA H 84 3.930 4.506 -0.576 1
1 886 . 8 1 1 A 84 84 VAL CA C 84 61.300 61.580 -0.280 1
1 887 . 8 1 1 A 84 84 VAL CB C 84 32.800 32.339 0.461 1
1 890 . 8 1 1 A 84 84 VAL N N 84 126.800 124.034 2.766 1
1 891 . 8 1 1 A 85 85 THR H H 85 9.000 9.239 -0.239 1
1 892 . 8 1 1 A 85 85 THR HA H 85 4.440 4.927 -0.487 1
1 897 . 8 1 1 A 85 85 THR CA C 85 61.900 61.745 0.155 1
1 898 . 8 1 1 A 85 85 THR CB C 85 70.100 70.296 -0.196 1
1 900 . 8 1 1 A 85 85 THR N N 85 125.500 123.571 1.929 1
1 901 . 8 1 1 A 86 86 VAL H H 86 8.280 9.221 -0.941 1
1 902 . 8 1 1 A 86 86 VAL HA H 86 5.010 4.955 0.055 1
1 910 . 8 1 1 A 86 86 VAL CA C 86 59.300 59.924 -0.624 1
1 911 . 8 1 1 A 86 86 VAL CB C 86 33.700 35.668 -1.968 1
1 914 . 8 1 1 A 86 86 VAL N N 86 123.200 125.558 -2.358 1
1 915 . 8 1 1 A 87 87 GLU H H 87 8.560 9.025 -0.465 1
1 916 . 8 1 1 A 87 87 GLU HA H 87 4.720 4.850 -0.130 1
1 921 . 8 1 1 A 87 87 GLU CA C 87 52.400 53.381 -0.981 1
1 922 . 8 1 1 A 87 87 GLU CB C 87 33.600 30.357 3.243 1
1 924 . 8 1 1 A 87 87 GLU N N 87 124.400 124.163 0.237 1
1 925 . 8 1 1 A 88 88 PRO HA H 88 4.770 4.461 0.309 1
1 932 . 8 1 1 A 88 88 PRO CA C 88 62.800 63.442 -0.642 1
1 933 . 8 1 1 A 88 88 PRO CB C 88 34.300 32.207 2.093 1
1 936 . 8 1 1 A 89 89 ARG H H 89 8.200 8.350 -0.150 1
1 937 . 8 1 1 A 89 89 ARG HA H 89 4.050 4.191 -0.141 1
1 945 . 8 1 1 A 89 89 ARG CA C 89 57.300 57.669 -0.369 1
1 946 . 8 1 1 A 89 89 ARG CB C 89 30.700 30.503 0.197 1
1 949 . 8 1 1 A 89 89 ARG N N 89 114.400 120.455 -6.055 1
1 951 . 8 1 1 A 90 90 MET H H 90 7.750 7.607 0.143 1
1 952 . 8 1 1 A 90 90 MET HA H 90 5.060 5.312 -0.252 1
1 960 . 8 1 1 A 90 90 MET CA C 90 53.700 53.891 -0.191 1
1 961 . 8 1 1 A 90 90 MET CB C 90 34.700 34.195 0.505 1
1 964 . 8 1 1 A 90 90 MET N N 90 115.900 118.476 -2.576 1
1 965 . 8 1 1 A 91 91 ALA H H 91 9.020 9.600 -0.580 1
1 966 . 8 1 1 A 91 91 ALA HA H 91 4.640 5.237 -0.597 1
1 970 . 8 1 1 A 91 91 ALA CA C 91 49.300 50.063 -0.763 1
1 971 . 8 1 1 A 91 91 ALA CB C 91 23.600 22.976 0.624 1
1 972 . 8 1 1 A 91 91 ALA N N 91 123.200 124.763 -1.563 1
1 973 . 8 1 1 A 92 92 ARG H H 92 8.370 9.038 -0.668 1
1 974 . 8 1 1 A 92 92 ARG HA H 92 5.480 5.299 0.181 1
1 982 . 8 1 1 A 92 92 ARG CA C 92 54.000 54.830 -0.830 1
1 983 . 8 1 1 A 92 92 ARG CB C 92 32.600 33.007 -0.407 1
1 986 . 8 1 1 A 92 92 ARG N N 92 119.600 118.856 0.744 1
1 988 . 8 1 1 A 93 93 VAL H H 93 8.920 8.666 0.254 1
1 989 . 8 1 1 A 93 93 VAL HA H 93 4.510 4.849 -0.339 1
1 997 . 8 1 1 A 93 93 VAL CA C 93 61.000 59.836 1.164 1
1 998 . 8 1 1 A 93 93 VAL CB C 93 36.900 35.053 1.847 1
1 1001 . 8 1 1 A 93 93 VAL N N 93 124.100 120.234 3.866 1
1 1002 . 8 1 1 A 94 94 GLN H H 94 8.930 9.384 -0.454 1
1 1003 . 8 1 1 A 94 94 GLN HA H 94 5.400 4.995 0.405 1
1 1010 . 8 1 1 A 94 94 GLN CA C 94 53.500 54.259 -0.759 1
1 1011 . 8 1 1 A 94 94 GLN CB C 94 30.300 31.730 -1.430 1
1 1013 . 8 1 1 A 94 94 GLN N N 94 127.900 129.820 -1.920 1
1 1015 . 8 1 1 A 95 95 LEU H H 95 8.870 9.308 -0.438 1
1 1016 . 8 1 1 A 95 95 LEU HA H 95 5.390 5.191 0.199 1
1 1026 . 8 1 1 A 95 95 LEU CA C 95 53.000 53.553 -0.553 1
1 1027 . 8 1 1 A 95 95 LEU CB C 95 44.800 43.377 1.423 1
1 1031 . 8 1 1 A 95 95 LEU N N 95 126.400 128.716 -2.316 1
1 1032 . 8 1 1 A 96 96 GLU H H 96 9.300 8.971 0.329 1
1 1033 . 8 1 1 A 96 96 GLU HA H 96 5.000 5.076 -0.076 1
1 1038 . 8 1 1 A 96 96 GLU CA C 96 54.300 54.431 -0.131 1
1 1039 . 8 1 1 A 96 96 GLU CB C 96 33.800 33.429 0.371 1
1 1041 . 8 1 1 A 96 96 GLU N N 96 122.700 125.949 -3.249 1
1 1042 . 8 1 1 A 97 97 GLU H H 97 9.730 8.560 1.170 1
1 1043 . 8 1 1 A 97 97 GLU HA H 97 4.360 4.954 -0.594 1
1 1048 . 8 1 1 A 97 97 GLU CA C 97 57.600 55.985 1.615 1
1 1049 . 8 1 1 A 97 97 GLU CB C 97 30.000 28.243 1.757 1
1 1051 . 8 1 1 A 97 97 GLU N N 97 126.200 125.429 0.771 1
1 1052 . 8 1 1 A 98 98 ARG H H 98 8.300 8.569 -0.269 1
1 1053 . 8 1 1 A 98 98 ARG HA H 98 4.180 4.910 -0.730 1
1 1061 . 8 1 1 A 98 98 ARG CA C 98 56.800 53.995 2.805 1
1 1062 . 8 1 1 A 98 98 ARG CB C 98 30.700 33.985 -3.285 1
1 1065 . 8 1 1 A 98 98 ARG N N 98 126.500 125.820 0.680 1
1 1067 . 8 1 1 A 99 99 GLN H H 99 8.810 8.577 0.233 1
1 1068 . 8 1 1 A 99 99 GLN HA H 99 4.370 4.542 -0.172 1
1 1075 . 8 1 1 A 99 99 GLN CA C 99 55.600 55.210 0.390 1
1 1076 . 8 1 1 A 99 99 GLN CB C 99 29.500 28.676 0.824 1
1 1078 . 8 1 1 A 99 99 GLN N N 99 123.700 126.145 -2.445 1
1 1080 . 8 1 1 A 100 100 THR H H 100 8.340 8.484 -0.144 1
1 1081 . 8 1 1 A 100 100 THR HA H 100 4.330 4.849 -0.519 1
1 1086 . 8 1 1 A 100 100 THR CA C 100 61.700 61.865 -0.165 1
1 1087 . 8 1 1 A 100 100 THR CB C 100 69.800 69.844 -0.044 1
1 1089 . 8 1 1 A 100 100 THR N N 100 116.700 121.316 -4.616 1
1 1090 . 8 1 1 A 101 101 VAL H H 101 8.290 8.866 -0.576 1
1 1091 . 8 1 1 A 101 101 VAL HA H 101 4.170 4.285 -0.115 1
1 1099 . 8 1 1 A 101 101 VAL CA C 101 61.900 62.433 -0.533 1
1 1100 . 8 1 1 A 101 101 VAL CB C 101 32.800 30.540 2.260 1
1 1103 . 8 1 1 A 101 101 VAL N N 101 122.900 128.094 -5.194 1
1 1104 . 8 1 1 A 102 102 SER H H 102 8.490 8.479 0.011 1
1 1105 . 8 1 1 A 102 102 SER HA H 102 4.470 4.682 -0.212 1
1 1108 . 8 1 1 A 102 102 SER CA C 102 58.000 58.258 -0.258 1
1 1109 . 8 1 1 A 102 102 SER CB C 102 63.600 64.619 -1.019 1
1 1110 . 8 1 1 A 102 102 SER N N 102 120.700 123.881 -3.181 1
1 1111 . 8 1 1 A 103 103 VAL H H 103 8.240 8.258 -0.018 1
1 1112 . 8 1 1 A 103 103 VAL HA H 103 4.420 4.612 -0.192 1
1 1120 . 8 1 1 A 103 103 VAL CA C 103 59.700 58.761 0.939 1
1 1121 . 8 1 1 A 103 103 VAL CB C 103 32.700 33.109 -0.409 1
1 1124 . 8 1 1 A 103 103 VAL N N 103 123.900 118.597 5.303 1
1 1125 . 8 1 1 A 104 104 PRO HA H 104 4.420 4.608 -0.188 1
1 1132 . 8 1 1 A 104 104 PRO CA C 104 63.000 62.401 0.599 1
1 1133 . 8 1 1 A 104 104 PRO CB C 104 32.000 32.555 -0.555 1
1 1136 . 8 1 1 A 105 105 VAL H H 105 8.340 8.236 0.104 1
1 1137 . 8 1 1 A 105 105 VAL HA H 105 4.130 4.896 -0.766 1
1 1145 . 8 1 1 A 105 105 VAL CA C 105 62.200 59.276 2.924 1
1 1146 . 8 1 1 A 105 105 VAL CB C 105 32.600 34.249 -1.649 1
1 1149 . 8 1 1 A 105 105 VAL N N 105 121.000 115.520 5.480 1
1 1150 . 8 1 1 A 106 106 THR H H 106 8.210 8.833 -0.623 1
1 1151 . 8 1 1 A 106 106 THR HA H 106 4.380 4.920 -0.540 1
1 1156 . 8 1 1 A 106 106 THR CA C 106 61.400 61.619 -0.219 1
1 1157 . 8 1 1 A 106 106 THR CB C 106 70.000 70.669 -0.669 1
1 1159 . 8 1 1 A 106 106 THR N N 106 118.700 118.527 0.173 1
1 1160 . 8 1 1 A 107 107 VAL H H 107 8.280 8.628 -0.348 1
1 1161 . 8 1 1 A 107 107 VAL HA H 107 4.050 4.384 -0.334 1
1 1169 . 8 1 1 A 107 107 VAL CA C 107 62.600 61.500 1.100 1
1 1170 . 8 1 1 A 107 107 VAL CB C 107 32.600 32.823 -0.223 1
1 1173 . 8 1 1 A 107 107 VAL N N 107 122.700 123.414 -0.714 1
1 1174 . 8 1 1 A 108 108 GLU H H 108 8.500 8.456 0.044 1
1 1175 . 8 1 1 A 108 108 GLU HA H 108 4.230 4.548 -0.318 1
1 1180 . 8 1 1 A 108 108 GLU CA C 108 56.600 56.231 0.369 1
1 1181 . 8 1 1 A 108 108 GLU CB C 108 30.000 31.305 -1.305 1
1 1183 . 8 1 1 A 108 108 GLU N N 108 124.100 124.177 -0.077 1
1 1184 . 8 1 1 A 109 109 MET H H 109 8.570 8.801 -0.231 1
1 1185 . 8 1 1 A 109 109 MET HA H 109 4.460 5.121 -0.661 1
1 1188 . 8 1 1 A 109 109 MET CA C 109 55.300 54.133 1.167 1
1 1189 . 8 1 1 A 109 109 MET CB C 109 26.800 35.239 -8.439 1
1 1190 . 8 1 1 A 109 109 MET N N 109 121.300 120.953 0.347 1
1 1191 . 8 1 1 A 110 110 ILE H H 110 8.280 8.441 -0.161 1
1 1192 . 8 1 1 A 110 110 ILE HA H 110 4.080 4.731 -0.651 1
1 1202 . 8 1 1 A 110 110 ILE CA C 110 61.400 59.284 2.116 1
1 1203 . 8 1 1 A 110 110 ILE CB C 110 38.700 39.484 -0.784 1
1 1207 . 8 1 1 A 110 110 ILE N N 110 122.600 118.641 3.959 1
1 1208 . 8 1 1 A 111 111 ASN H H 111 8.590 8.587 0.003 1
1 1209 . 8 1 1 A 111 111 ASN HA H 111 4.690 5.252 -0.562 1
1 1214 . 8 1 1 A 111 111 ASN CA C 111 53.000 52.999 0.001 1
1 1215 . 8 1 1 A 111 111 ASN CB C 111 38.600 42.070 -3.470 1
1 1216 . 8 1 1 A 111 111 ASN N N 111 122.800 119.988 2.812 1
1 1218 . 8 1 1 A 112 112 LEU H H 112 8.340 8.306 0.034 1
1 1219 . 8 1 1 A 112 112 LEU HA H 112 4.240 4.517 -0.277 1
1 1229 . 8 1 1 A 112 112 LEU CA C 112 55.400 54.565 0.835 1
1 1230 . 8 1 1 A 112 112 LEU CB C 112 42.100 42.191 -0.091 1
1 1 . 9 1 1 A 3 3 THR HA H 3 4.250 4.502 -0.252 1
1 6 . 9 1 1 A 3 3 THR CA C 3 62.000 61.502 0.498 1
1 7 . 9 1 1 A 3 3 THR CB C 3 69.700 68.556 1.144 1
1 9 . 9 1 1 A 4 4 PHE H H 4 8.440 7.287 1.153 1
1 10 . 9 1 1 A 4 4 PHE HA H 4 4.650 4.664 -0.014 1
1 17 . 9 1 1 A 4 4 PHE CA C 4 57.700 58.014 -0.314 1
1 18 . 9 1 1 A 4 4 PHE CB C 4 39.400 39.985 -0.585 1
1 21 . 9 1 1 A 4 4 PHE N N 4 122.400 120.352 2.048 1
1 22 . 9 1 1 A 5 5 ASP H H 5 8.500 9.242 -0.742 1
1 23 . 9 1 1 A 5 5 ASP HA H 5 4.600 4.311 0.289 1
1 26 . 9 1 1 A 5 5 ASP CA C 5 53.900 54.930 -1.030 1
1 27 . 9 1 1 A 5 5 ASP CB C 5 40.700 39.573 1.127 1
1 28 . 9 1 1 A 5 5 ASP N N 5 121.800 121.931 -0.131 1
1 29 . 9 1 1 A 6 6 HIS H H 6 8.240 8.085 0.155 1
1 30 . 9 1 1 A 6 6 HIS HA H 6 4.780 4.641 0.139 1
1 34 . 9 1 1 A 6 6 HIS CA C 6 55.300 55.524 -0.224 1
1 35 . 9 1 1 A 6 6 HIS CB C 6 31.500 29.586 1.914 1
1 37 . 9 1 1 A 6 6 HIS N N 6 120.400 114.114 6.286 1
1 38 . 9 1 1 A 7 7 GLY H H 7 8.660 8.969 -0.309 1
1 39 . 9 1 1 A 7 7 GLY HA2 H 7 4.500 3.941 0.559 1
1 40 . 9 1 1 A 7 7 GLY HA3 H 7 3.580 4.005 -0.425 1
1 41 . 9 1 1 A 7 7 GLY CA C 7 44.200 44.093 0.107 1
1 42 . 9 1 1 A 7 7 GLY N N 7 109.200 109.388 -0.188 1
1 43 . 9 1 1 A 8 8 ASN H H 8 8.040 8.484 -0.444 1
1 44 . 9 1 1 A 8 8 ASN HA H 8 5.500 5.734 -0.234 1
1 49 . 9 1 1 A 8 8 ASN CA C 8 52.600 51.848 0.752 1
1 50 . 9 1 1 A 8 8 ASN CB C 8 42.700 42.005 0.695 1
1 51 . 9 1 1 A 8 8 ASN N N 8 115.100 118.651 -3.551 1
1 53 . 9 1 1 A 9 9 LEU H H 9 8.850 8.965 -0.115 1
1 54 . 9 1 1 A 9 9 LEU HA H 9 4.530 4.861 -0.331 1
1 64 . 9 1 1 A 9 9 LEU CA C 9 54.700 53.955 0.745 1
1 65 . 9 1 1 A 9 9 LEU CB C 9 47.000 45.816 1.184 1
1 69 . 9 1 1 A 9 9 LEU N N 9 123.500 124.478 -0.978 1
1 70 . 9 1 1 A 10 10 SER H H 10 8.850 8.986 -0.136 1
1 71 . 9 1 1 A 10 10 SER HA H 10 5.030 4.935 0.095 1
1 74 . 9 1 1 A 10 10 SER CA C 10 57.000 57.974 -0.974 1
1 75 . 9 1 1 A 10 10 SER CB C 10 63.900 63.816 0.084 1
1 76 . 9 1 1 A 10 10 SER N N 10 121.800 124.174 -2.374 1
1 77 . 9 1 1 A 11 11 LEU H H 11 8.820 9.124 -0.304 1
1 78 . 9 1 1 A 11 11 LEU HA H 11 4.460 4.350 0.110 1
1 88 . 9 1 1 A 11 11 LEU CA C 11 54.400 55.242 -0.842 1
1 89 . 9 1 1 A 11 11 LEU CB C 11 41.900 42.513 -0.613 1
1 93 . 9 1 1 A 11 11 LEU N N 11 127.300 126.728 0.572 1
1 94 . 9 1 1 A 12 12 GLY H H 12 8.140 7.861 0.279 1
1 95 . 9 1 1 A 12 12 GLY HA2 H 12 3.720 4.174 -0.454 1
1 96 . 9 1 1 A 12 12 GLY HA3 H 12 4.080 4.187 -0.107 1
1 97 . 9 1 1 A 12 12 GLY CA C 12 44.700 44.960 -0.260 1
1 98 . 9 1 1 A 12 12 GLY N N 12 108.000 106.040 1.960 1
1 99 . 9 1 1 A 13 13 GLU H H 13 8.210 8.372 -0.162 1
1 100 . 9 1 1 A 13 13 GLU HA H 13 4.560 4.876 -0.316 1
1 105 . 9 1 1 A 13 13 GLU CA C 13 55.700 55.882 -0.182 1
1 106 . 9 1 1 A 13 13 GLU CB C 13 30.300 30.076 0.224 1
1 108 . 9 1 1 A 13 13 GLU N N 13 119.000 121.304 -2.304 1
1 109 . 9 1 1 A 14 14 LEU H H 14 9.360 9.512 -0.152 1
1 110 . 9 1 1 A 14 14 LEU HA H 14 4.720 4.789 -0.069 1
1 120 . 9 1 1 A 14 14 LEU CA C 14 53.400 53.690 -0.290 1
1 121 . 9 1 1 A 14 14 LEU CB C 14 44.200 43.711 0.489 1
1 125 . 9 1 1 A 14 14 LEU N N 14 126.700 126.476 0.224 1
1 126 . 9 1 1 A 15 15 GLU H H 15 8.680 8.502 0.178 1
1 127 . 9 1 1 A 15 15 GLU HA H 15 4.240 4.502 -0.262 1
1 132 . 9 1 1 A 15 15 GLU CA C 15 56.900 56.401 0.499 1
1 133 . 9 1 1 A 15 15 GLU CB C 15 29.900 30.218 -0.318 1
1 135 . 9 1 1 A 15 15 GLU N N 15 120.600 122.930 -2.330 1
1 136 . 9 1 1 A 16 16 LEU H H 16 7.740 7.923 -0.183 1
1 137 . 9 1 1 A 16 16 LEU HA H 16 4.360 4.740 -0.380 1
1 147 . 9 1 1 A 16 16 LEU CA C 16 54.000 54.467 -0.467 1
1 148 . 9 1 1 A 16 16 LEU CB C 16 43.300 42.733 0.567 1
1 152 . 9 1 1 A 16 16 LEU N N 16 125.200 128.046 -2.846 1
1 153 . 9 1 1 A 17 17 THR H H 17 8.500 8.736 -0.236 1
1 154 . 9 1 1 A 17 17 THR HA H 17 4.420 4.906 -0.486 1
1 159 . 9 1 1 A 17 17 THR CA C 17 63.100 61.811 1.289 1
1 160 . 9 1 1 A 17 17 THR CB C 17 69.600 70.151 -0.551 1
1 162 . 9 1 1 A 17 17 THR N N 17 127.300 124.582 2.718 1
1 163 . 9 1 1 A 18 18 VAL H H 18 8.840 9.204 -0.364 1
1 164 . 9 1 1 A 18 18 VAL HA H 18 4.490 4.814 -0.324 1
1 172 . 9 1 1 A 18 18 VAL CA C 18 61.100 61.214 -0.114 1
1 173 . 9 1 1 A 18 18 VAL CB C 18 33.300 33.365 -0.065 1
1 176 . 9 1 1 A 18 18 VAL N N 18 127.000 127.589 -0.589 1
1 177 . 9 1 1 A 19 19 LEU H H 19 8.830 9.486 -0.656 1
1 178 . 9 1 1 A 19 19 LEU HA H 19 4.920 5.197 -0.277 1
1 188 . 9 1 1 A 19 19 LEU CA C 19 53.400 53.541 -0.141 1
1 189 . 9 1 1 A 19 19 LEU CB C 19 41.200 42.017 -0.817 1
1 193 . 9 1 1 A 19 19 LEU N N 19 128.500 128.763 -0.263 1
1 194 . 9 1 1 A 20 20 TYR H H 20 8.470 8.749 -0.279 1
1 195 . 9 1 1 A 20 20 TYR HA H 20 4.280 5.122 -0.842 1
1 202 . 9 1 1 A 20 20 TYR CA C 20 55.600 55.840 -0.240 1
1 203 . 9 1 1 A 20 20 TYR CB C 20 38.200 40.581 -2.381 1
1 206 . 9 1 1 A 20 20 TYR N N 20 120.300 121.460 -1.160 1
1 207 . 9 1 1 A 21 21 ASP H H 21 8.920 8.911 0.009 1
1 208 . 9 1 1 A 21 21 ASP HA H 21 4.640 4.994 -0.354 1
1 211 . 9 1 1 A 21 21 ASP CA C 21 53.000 52.409 0.591 1
1 212 . 9 1 1 A 21 21 ASP CB C 21 39.300 43.288 -3.988 1
1 213 . 9 1 1 A 21 21 ASP N N 21 118.600 121.459 -2.859 1
1 214 . 9 1 1 A 22 22 GLU H H 22 7.930 8.693 -0.763 1
1 215 . 9 1 1 A 22 22 GLU HA H 22 4.250 4.439 -0.189 1
1 220 . 9 1 1 A 22 22 GLU CA C 22 57.000 56.389 0.611 1
1 221 . 9 1 1 A 22 22 GLU CB C 22 29.000 29.311 -0.311 1
1 223 . 9 1 1 A 22 22 GLU N N 22 126.600 124.282 2.318 1
1 224 . 9 1 1 A 23 23 GLU H H 23 8.060 8.503 -0.443 1
1 225 . 9 1 1 A 23 23 GLU HA H 23 4.130 4.061 0.069 1
1 230 . 9 1 1 A 23 23 GLU CA C 23 57.800 58.698 -0.898 1
1 231 . 9 1 1 A 23 23 GLU CB C 23 29.500 28.725 0.775 1
1 233 . 9 1 1 A 23 23 GLU N N 23 117.800 120.070 -2.270 1
1 234 . 9 1 1 A 24 24 ARG H H 24 7.070 7.838 -0.768 1
1 235 . 9 1 1 A 24 24 ARG HA H 24 4.170 4.444 -0.274 1
1 243 . 9 1 1 A 24 24 ARG CA C 24 56.500 55.567 0.933 1
1 244 . 9 1 1 A 24 24 ARG CB C 24 33.500 32.214 1.286 1
1 247 . 9 1 1 A 24 24 ARG N N 24 116.700 119.219 -2.519 1
1 249 . 9 1 1 A 25 25 TYR H H 25 8.150 7.681 0.469 1
1 250 . 9 1 1 A 25 25 TYR HA H 25 5.470 5.641 -0.171 1
1 257 . 9 1 1 A 25 25 TYR CA C 25 56.900 56.767 0.133 1
1 258 . 9 1 1 A 25 25 TYR CB C 25 43.100 42.367 0.733 1
1 261 . 9 1 1 A 25 25 TYR N N 25 116.800 118.516 -1.716 1
1 262 . 9 1 1 A 26 26 ASP H H 26 9.120 8.767 0.353 1
1 263 . 9 1 1 A 26 26 ASP HA H 26 5.250 5.416 -0.166 1
1 266 . 9 1 1 A 26 26 ASP CA C 26 52.400 52.854 -0.454 1
1 267 . 9 1 1 A 26 26 ASP CB C 26 44.500 44.045 0.455 1
1 268 . 9 1 1 A 26 26 ASP N N 26 116.900 121.932 -5.032 1
1 269 . 9 1 1 A 27 27 ILE H H 27 8.640 8.924 -0.284 1
1 270 . 9 1 1 A 27 27 ILE HA H 27 4.100 4.192 -0.092 1
1 280 . 9 1 1 A 27 27 ILE CA C 27 61.400 60.736 0.664 1
1 281 . 9 1 1 A 27 27 ILE CB C 27 38.600 36.938 1.662 1
1 285 . 9 1 1 A 27 27 ILE N N 27 121.200 121.974 -0.774 1
1 286 . 9 1 1 A 28 28 VAL H H 28 8.840 8.739 0.101 1
1 287 . 9 1 1 A 28 28 VAL HA H 28 3.930 3.955 -0.025 1
1 295 . 9 1 1 A 28 28 VAL CA C 28 63.800 64.223 -0.423 1
1 296 . 9 1 1 A 28 28 VAL CB C 28 32.900 32.615 0.285 1
1 299 . 9 1 1 A 28 28 VAL N N 28 128.700 129.469 -0.769 1
1 300 . 9 1 1 A 29 29 GLU H H 29 7.180 7.788 -0.608 1
1 301 . 9 1 1 A 29 29 GLU HA H 29 4.490 4.806 -0.316 1
1 306 . 9 1 1 A 29 29 GLU CA C 29 55.200 54.945 0.255 1
1 307 . 9 1 1 A 29 29 GLU CB C 29 32.900 32.951 -0.051 1
1 309 . 9 1 1 A 29 29 GLU N N 29 116.000 115.598 0.402 1
1 310 . 9 1 1 A 30 30 GLN H H 30 8.760 8.885 -0.125 1
1 311 . 9 1 1 A 30 30 GLN HA H 30 5.450 5.105 0.345 1
1 314 . 9 1 1 A 30 30 GLN CA C 30 54.200 54.365 -0.165 1
1 315 . 9 1 1 A 30 30 GLN CB C 30 33.100 31.785 1.315 1
1 316 . 9 1 1 A 30 30 GLN N N 30 117.200 118.570 -1.370 1
1 317 . 9 1 1 A 31 31 THR H H 31 8.200 8.348 -0.148 1
1 318 . 9 1 1 A 31 31 THR HA H 31 4.160 4.213 -0.053 1
1 323 . 9 1 1 A 31 31 THR CA C 31 64.500 64.278 0.222 1
1 324 . 9 1 1 A 31 31 THR CB C 31 70.300 68.809 1.491 1
1 326 . 9 1 1 A 31 31 THR N N 31 119.400 116.737 2.663 1
1 327 . 9 1 1 A 32 32 GLU H H 32 9.230 8.718 0.512 1
1 328 . 9 1 1 A 32 32 GLU HA H 32 4.170 4.182 -0.012 1
1 333 . 9 1 1 A 32 32 GLU CA C 32 60.000 58.928 1.072 1
1 334 . 9 1 1 A 32 32 GLU CB C 32 31.000 30.131 0.869 1
1 336 . 9 1 1 A 32 32 GLU N N 32 129.600 126.887 2.713 1
1 337 . 9 1 1 A 33 33 THR H H 33 7.510 7.843 -0.333 1
1 338 . 9 1 1 A 33 33 THR HA H 33 5.320 4.972 0.348 1
1 343 . 9 1 1 A 33 33 THR CA C 33 58.500 60.420 -1.920 1
1 344 . 9 1 1 A 33 33 THR CB C 33 73.100 71.828 1.272 1
1 346 . 9 1 1 A 33 33 THR N N 33 107.500 108.883 -1.383 1
1 347 . 9 1 1 A 34 34 VAL H H 34 8.700 8.685 0.015 1
1 348 . 9 1 1 A 34 34 VAL HA H 34 4.670 4.944 -0.274 1
1 356 . 9 1 1 A 34 34 VAL CA C 34 59.200 58.699 0.501 1
1 357 . 9 1 1 A 34 34 VAL CB C 34 35.200 35.246 -0.046 1
1 360 . 9 1 1 A 34 34 VAL N N 34 112.000 118.338 -6.338 1
1 361 . 9 1 1 A 35 35 GLN H H 35 8.930 8.613 0.317 1
1 362 . 9 1 1 A 35 35 GLN HA H 35 4.790 5.544 -0.754 1
1 369 . 9 1 1 A 35 35 GLN CA C 35 54.800 55.114 -0.314 1
1 370 . 9 1 1 A 35 35 GLN CB C 35 29.900 30.619 -0.719 1
1 372 . 9 1 1 A 35 35 GLN N N 35 123.200 121.696 1.504 1
1 374 . 9 1 1 A 36 36 VAL H H 36 7.940 8.265 -0.325 1
1 375 . 9 1 1 A 36 36 VAL HA H 36 4.850 4.879 -0.029 1
1 383 . 9 1 1 A 36 36 VAL CA C 36 61.300 61.057 0.243 1
1 384 . 9 1 1 A 36 36 VAL CB C 36 34.200 34.159 0.041 1
1 387 . 9 1 1 A 36 36 VAL N N 36 124.300 124.077 0.223 1
1 388 . 9 1 1 A 37 37 ASP H H 37 8.670 9.647 -0.977 1
1 389 . 9 1 1 A 37 37 ASP HA H 37 5.240 5.489 -0.249 1
1 392 . 9 1 1 A 37 37 ASP CA C 37 53.000 52.646 0.354 1
1 393 . 9 1 1 A 37 37 ASP CB C 37 44.700 43.989 0.711 1
1 394 . 9 1 1 A 37 37 ASP N N 37 126.900 127.511 -0.611 1
1 395 . 9 1 1 A 38 38 LEU H H 38 8.850 9.713 -0.863 1
1 396 . 9 1 1 A 38 38 LEU HA H 38 5.160 5.293 -0.133 1
1 406 . 9 1 1 A 38 38 LEU CA C 38 52.400 53.191 -0.791 1
1 407 . 9 1 1 A 38 38 LEU CB C 38 46.100 44.678 1.422 1
1 411 . 9 1 1 A 38 38 LEU N N 38 119.100 124.130 -5.030 1
1 412 . 9 1 1 A 39 39 GLU H H 39 8.380 8.888 -0.508 1
1 413 . 9 1 1 A 39 39 GLU HA H 39 5.210 5.449 -0.239 1
1 418 . 9 1 1 A 39 39 GLU CA C 39 54.600 54.653 -0.053 1
1 419 . 9 1 1 A 39 39 GLU CB C 39 33.900 32.895 1.005 1
1 421 . 9 1 1 A 39 39 GLU N N 39 120.800 121.091 -0.291 1
1 422 . 9 1 1 A 40 40 GLY H H 40 8.110 7.992 0.118 1
1 423 . 9 1 1 A 40 40 GLY HA2 H 40 4.230 4.167 0.063 1
1 424 . 9 1 1 A 40 40 GLY HA3 H 40 3.730 4.200 -0.470 1
1 425 . 9 1 1 A 40 40 GLY CA C 40 45.000 44.884 0.116 1
1 426 . 9 1 1 A 40 40 GLY N N 40 110.000 109.799 0.201 1
1 427 . 9 1 1 A 41 41 PRO HA H 41 4.380 4.757 -0.377 1
1 434 . 9 1 1 A 41 41 PRO CA C 41 62.200 63.265 -1.065 1
1 435 . 9 1 1 A 41 41 PRO CB C 41 32.400 31.972 0.428 1
1 438 . 9 1 1 A 42 42 ARG H H 42 9.020 8.266 0.754 1
1 439 . 9 1 1 A 42 42 ARG HA H 42 3.790 3.982 -0.192 1
1 446 . 9 1 1 A 42 42 ARG CA C 42 60.400 58.898 1.502 1
1 447 . 9 1 1 A 42 42 ARG CB C 42 29.900 29.710 0.190 1
1 450 . 9 1 1 A 42 42 ARG N N 42 125.500 123.029 2.471 1
1 451 . 9 1 1 A 43 43 GLY H H 43 9.310 8.453 0.857 1
1 452 . 9 1 1 A 43 43 GLY HA2 H 43 3.890 3.740 0.150 1
1 453 . 9 1 1 A 43 43 GLY HA3 H 43 3.890 3.744 0.146 1
1 454 . 9 1 1 A 43 43 GLY CA C 43 47.000 47.514 -0.514 1
1 455 . 9 1 1 A 43 43 GLY N N 43 107.200 108.272 -1.072 1
1 456 . 9 1 1 A 44 44 VAL H H 44 6.930 7.799 -0.869 1
1 457 . 9 1 1 A 44 44 VAL HA H 44 3.800 3.803 -0.003 1
1 465 . 9 1 1 A 44 44 VAL CA C 44 65.100 66.006 -0.906 1
1 466 . 9 1 1 A 44 44 VAL CB C 44 32.000 31.823 0.177 1
1 469 . 9 1 1 A 44 44 VAL N N 44 121.100 121.741 -0.641 1
1 470 . 9 1 1 A 45 45 LEU H H 45 7.830 7.823 0.007 1
1 471 . 9 1 1 A 45 45 LEU HA H 45 3.890 4.035 -0.145 1
1 481 . 9 1 1 A 45 45 LEU CA C 45 58.100 58.100 0.000 1
1 482 . 9 1 1 A 45 45 LEU CB C 45 41.800 41.469 0.331 1
1 486 . 9 1 1 A 45 45 LEU N N 45 120.700 119.474 1.226 1
1 487 . 9 1 1 A 46 46 THR H H 46 8.340 8.165 0.175 1
1 488 . 9 1 1 A 46 46 THR HA H 46 3.850 3.922 -0.072 1
1 493 . 9 1 1 A 46 46 THR CA C 46 66.800 66.869 -0.069 1
1 494 . 9 1 1 A 46 46 THR CB C 46 68.800 67.852 0.948 1
1 496 . 9 1 1 A 46 46 THR N N 46 114.900 115.950 -1.050 1
1 497 . 9 1 1 A 47 47 VAL H H 47 7.210 7.571 -0.361 1
1 498 . 9 1 1 A 47 47 VAL HA H 47 3.820 3.990 -0.170 1
1 506 . 9 1 1 A 47 47 VAL CA C 47 65.600 66.716 -1.116 1
1 507 . 9 1 1 A 47 47 VAL CB C 47 31.900 31.707 0.193 1
1 510 . 9 1 1 A 47 47 VAL N N 47 119.600 121.357 -1.757 1
1 511 . 9 1 1 A 48 48 PHE H H 48 8.140 8.318 -0.178 1
1 512 . 9 1 1 A 48 48 PHE HA H 48 4.210 4.137 0.073 1
1 520 . 9 1 1 A 48 48 PHE CA C 48 61.100 61.165 -0.065 1
1 521 . 9 1 1 A 48 48 PHE CB C 48 39.200 39.139 0.061 1
1 525 . 9 1 1 A 48 48 PHE N N 48 120.600 120.591 0.009 1
1 526 . 9 1 1 A 49 49 ARG H H 49 8.150 8.064 0.086 1
1 527 . 9 1 1 A 49 49 ARG HA H 49 3.710 4.152 -0.442 1
1 534 . 9 1 1 A 49 49 ARG CA C 49 58.500 58.225 0.275 1
1 535 . 9 1 1 A 49 49 ARG CB C 49 30.000 30.197 -0.197 1
1 538 . 9 1 1 A 49 49 ARG N N 49 117.500 117.909 -0.409 1
1 539 . 9 1 1 A 50 50 PHE H H 50 7.270 7.285 -0.015 1
1 540 . 9 1 1 A 50 50 PHE HA H 50 4.620 4.352 0.268 1
1 548 . 9 1 1 A 50 50 PHE CA C 50 57.700 59.858 -2.158 1
1 549 . 9 1 1 A 50 50 PHE CB C 50 39.600 39.934 -0.334 1
1 553 . 9 1 1 A 50 50 PHE N N 50 115.500 115.921 -0.421 1
1 554 . 9 1 1 A 51 51 ALA H H 51 7.620 7.286 0.334 1
1 555 . 9 1 1 A 51 51 ALA HA H 51 4.320 4.513 -0.193 1
1 559 . 9 1 1 A 51 51 ALA CA C 51 51.700 50.626 1.074 1
1 560 . 9 1 1 A 51 51 ALA CB C 51 19.300 20.112 -0.812 1
1 561 . 9 1 1 A 51 51 ALA N N 51 124.200 121.176 3.024 1
1 562 . 9 1 1 A 52 52 ARG H H 52 8.570 8.542 0.028 1
1 563 . 9 1 1 A 52 52 ARG HA H 52 4.270 4.428 -0.158 1
1 570 . 9 1 1 A 52 52 ARG CA C 52 54.700 54.518 0.182 1
1 571 . 9 1 1 A 52 52 ARG CB C 52 29.300 29.442 -0.142 1
1 574 . 9 1 1 A 52 52 ARG N N 52 123.500 121.591 1.909 1
1 575 . 9 1 1 A 53 53 PRO HA H 53 4.240 3.813 0.427 1
1 582 . 9 1 1 A 53 53 PRO CA C 53 63.600 63.065 0.535 1
1 583 . 9 1 1 A 53 53 PRO CB C 53 31.600 31.706 -0.106 1
1 586 . 9 1 1 A 54 54 SER H H 54 8.100 8.412 -0.312 1
1 587 . 9 1 1 A 54 54 SER HA H 54 4.390 4.611 -0.221 1
1 590 . 9 1 1 A 54 54 SER CA C 54 57.200 57.269 -0.069 1
1 591 . 9 1 1 A 54 54 SER CB C 54 63.100 64.254 -1.154 1
1 592 . 9 1 1 A 54 54 SER N N 54 117.200 117.622 -0.422 1
1 593 . 9 1 1 A 55 55 TYR H H 55 6.640 6.995 -0.355 1
1 594 . 9 1 1 A 55 55 TYR HA H 55 5.030 5.456 -0.426 1
1 601 . 9 1 1 A 55 55 TYR CA C 55 53.900 55.781 -1.881 1
1 602 . 9 1 1 A 55 55 TYR CB C 55 39.200 41.443 -2.243 1
1 605 . 9 1 1 A 55 55 TYR N N 55 119.200 119.338 -0.138 1
1 606 . 9 1 1 A 56 56 GLU H H 56 8.890 8.797 0.093 1
1 607 . 9 1 1 A 56 56 GLU HA H 56 4.740 4.994 -0.254 1
1 612 . 9 1 1 A 56 56 GLU CA C 56 55.700 54.791 0.909 1
1 613 . 9 1 1 A 56 56 GLU CB C 56 35.000 34.096 0.904 1
1 615 . 9 1 1 A 56 56 GLU N N 56 118.800 120.712 -1.912 1
1 616 . 9 1 1 A 57 57 VAL H H 57 8.830 8.301 0.529 1
1 617 . 9 1 1 A 57 57 VAL HA H 57 5.370 4.660 0.710 1
1 625 . 9 1 1 A 57 57 VAL CA C 57 59.900 61.022 -1.122 1
1 626 . 9 1 1 A 57 57 VAL CB C 57 33.300 32.999 0.301 1
1 629 . 9 1 1 A 57 57 VAL N N 57 117.800 121.554 -3.754 1
1 630 . 9 1 1 A 58 58 PHE H H 58 8.870 8.597 0.273 1
1 631 . 9 1 1 A 58 58 PHE HA H 58 6.090 5.482 0.608 1
1 634 . 9 1 1 A 58 58 PHE CA C 58 55.600 56.011 -0.411 1
1 635 . 9 1 1 A 58 58 PHE CB C 58 42.700 43.919 -1.219 1
1 636 . 9 1 1 A 58 58 PHE N N 58 120.600 125.489 -4.889 1
1 637 . 9 1 1 A 59 59 VAL H H 59 8.270 8.708 -0.438 1
1 638 . 9 1 1 A 59 59 VAL HA H 59 4.730 4.921 -0.191 1
1 646 . 9 1 1 A 59 59 VAL CA C 59 58.500 59.815 -1.315 1
1 647 . 9 1 1 A 59 59 VAL CB C 59 34.800 35.302 -0.502 1
1 650 . 9 1 1 A 59 59 VAL N N 59 108.700 116.378 -7.678 1
1 651 . 9 1 1 A 60 60 ASP H H 60 9.360 8.890 0.470 1
1 652 . 9 1 1 A 60 60 ASP HA H 60 5.080 5.282 -0.202 1
1 655 . 9 1 1 A 60 60 ASP CA C 60 52.700 52.700 0.000 1
1 656 . 9 1 1 A 60 60 ASP CB C 60 41.100 43.465 -2.365 1
1 657 . 9 1 1 A 60 60 ASP N N 60 123.000 126.001 -3.001 1
1 658 . 9 1 1 A 61 61 LEU H H 61 9.230 8.417 0.813 1
1 659 . 9 1 1 A 61 61 LEU HA H 61 4.670 4.742 -0.072 1
1 669 . 9 1 1 A 61 61 LEU CA C 61 53.300 53.844 -0.544 1
1 670 . 9 1 1 A 61 61 LEU CB C 61 40.900 42.781 -1.881 1
1 674 . 9 1 1 A 61 61 LEU N N 61 128.600 127.688 0.912 1
1 675 . 9 1 1 A 62 62 THR H H 62 8.720 8.067 0.653 1
1 676 . 9 1 1 A 62 62 THR HA H 62 3.590 4.193 -0.603 1
1 681 . 9 1 1 A 62 62 THR CA C 62 67.000 64.400 2.600 1
1 682 . 9 1 1 A 62 62 THR CB C 62 69.100 68.776 0.324 1
1 684 . 9 1 1 A 62 62 THR N N 62 115.800 113.761 2.039 1
1 685 . 9 1 1 A 63 63 GLU H H 63 8.490 7.680 0.810 1
1 686 . 9 1 1 A 63 63 GLU HA H 63 4.530 4.418 0.112 1
1 691 . 9 1 1 A 63 63 GLU CA C 63 55.100 56.123 -1.023 1
1 692 . 9 1 1 A 63 63 GLU CB C 63 29.200 30.378 -1.178 1
1 694 . 9 1 1 A 63 63 GLU N N 63 118.800 120.331 -1.531 1
1 695 . 9 1 1 A 64 64 ALA H H 64 7.100 7.182 -0.082 1
1 696 . 9 1 1 A 64 64 ALA HA H 64 4.130 4.323 -0.193 1
1 700 . 9 1 1 A 64 64 ALA CA C 64 51.500 50.710 0.790 1
1 701 . 9 1 1 A 64 64 ALA CB C 64 20.900 21.276 -0.376 1
1 702 . 9 1 1 A 64 64 ALA N N 64 123.700 122.656 1.044 1
1 703 . 9 1 1 A 65 65 GLY H H 65 7.800 8.151 -0.351 1
1 704 . 9 1 1 A 65 65 GLY HA2 H 65 4.180 3.942 0.238 1
1 705 . 9 1 1 A 65 65 GLY HA3 H 65 3.540 4.112 -0.572 1
1 706 . 9 1 1 A 65 65 GLY CA C 65 42.600 44.260 -1.660 1
1 707 . 9 1 1 A 65 65 GLY N N 65 106.800 106.220 0.580 1
1 708 . 9 1 1 A 66 66 GLU H H 66 8.490 8.425 0.065 1
1 709 . 9 1 1 A 66 66 GLU HA H 66 3.750 4.834 -1.084 1
1 714 . 9 1 1 A 66 66 GLU CA C 66 57.400 56.058 1.342 1
1 715 . 9 1 1 A 66 66 GLU CB C 66 30.300 30.886 -0.586 1
1 717 . 9 1 1 A 66 66 GLU N N 66 119.900 119.382 0.518 1
1 718 . 9 1 1 A 67 67 GLY H H 67 8.470 8.296 0.174 1
1 719 . 9 1 1 A 67 67 GLY HA2 H 67 3.770 4.011 -0.241 1
1 720 . 9 1 1 A 67 67 GLY HA3 H 67 4.390 4.053 0.337 1
1 721 . 9 1 1 A 67 67 GLY CA C 67 43.400 44.575 -1.175 1
1 722 . 9 1 1 A 67 67 GLY N N 67 110.800 109.710 1.090 1
1 723 . 9 1 1 A 68 68 SER H H 68 8.250 8.215 0.035 1
1 724 . 9 1 1 A 68 68 SER HA H 68 4.610 4.850 -0.240 1
1 727 . 9 1 1 A 68 68 SER CA C 68 57.700 58.404 -0.704 1
1 728 . 9 1 1 A 68 68 SER CB C 68 63.300 63.784 -0.484 1
1 729 . 9 1 1 A 68 68 SER N N 68 114.500 115.142 -0.642 1
1 730 . 9 1 1 A 69 69 HIS H H 69 8.780 9.086 -0.306 1
1 731 . 9 1 1 A 69 69 HIS HA H 69 4.790 5.065 -0.275 1
1 734 . 9 1 1 A 69 69 HIS CA C 69 55.300 54.765 0.535 1
1 735 . 9 1 1 A 69 69 HIS CB C 69 33.900 33.812 0.088 1
1 736 . 9 1 1 A 69 69 HIS N N 69 125.400 123.905 1.495 1
1 737 . 9 1 1 A 70 70 THR H H 70 8.870 8.900 -0.030 1
1 738 . 9 1 1 A 70 70 THR HA H 70 5.380 5.530 -0.150 1
1 743 . 9 1 1 A 70 70 THR CA C 70 61.600 61.934 -0.334 1
1 744 . 9 1 1 A 70 70 THR CB C 70 69.400 70.194 -0.794 1
1 746 . 9 1 1 A 70 70 THR N N 70 121.200 117.787 3.413 1
1 747 . 9 1 1 A 71 71 VAL H H 71 8.860 8.638 0.222 1
1 748 . 9 1 1 A 71 71 VAL HA H 71 4.730 5.000 -0.270 1
1 756 . 9 1 1 A 71 71 VAL CA C 71 58.900 58.859 0.041 1
1 757 . 9 1 1 A 71 71 VAL CB C 71 36.000 35.615 0.385 1
1 760 . 9 1 1 A 71 71 VAL N N 71 122.100 120.184 1.916 1
1 761 . 9 1 1 A 72 72 ASP H H 72 8.610 8.529 0.081 1
1 762 . 9 1 1 A 72 72 ASP HA H 72 4.660 4.680 -0.020 1
1 765 . 9 1 1 A 72 72 ASP CA C 72 55.500 54.200 1.300 1
1 766 . 9 1 1 A 72 72 ASP CB C 72 40.800 41.208 -0.408 1
1 767 . 9 1 1 A 72 72 ASP N N 72 124.300 121.915 2.385 1
1 768 . 9 1 1 A 73 73 VAL H H 73 8.090 8.555 -0.465 1
1 769 . 9 1 1 A 73 73 VAL HA H 73 3.770 4.071 -0.301 1
1 777 . 9 1 1 A 73 73 VAL CA C 73 63.600 62.785 0.815 1
1 778 . 9 1 1 A 73 73 VAL CB C 73 31.600 31.874 -0.274 1
1 781 . 9 1 1 A 73 73 VAL N N 73 121.400 122.715 -1.315 1
1 782 . 9 1 1 A 74 74 GLU H H 74 8.900 8.469 0.431 1
1 783 . 9 1 1 A 74 74 GLU HA H 74 4.370 4.597 -0.227 1
1 788 . 9 1 1 A 74 74 GLU CA C 74 54.700 55.685 -0.985 1
1 789 . 9 1 1 A 74 74 GLU CB C 74 33.300 31.489 1.811 1
1 791 . 9 1 1 A 74 74 GLU N N 74 129.600 127.352 2.248 1
1 792 . 9 1 1 A 75 75 HIS H H 75 7.940 8.826 -0.886 1
1 793 . 9 1 1 A 75 75 HIS HA H 75 5.830 5.320 0.510 1
1 796 . 9 1 1 A 75 75 HIS CA C 75 54.100 54.439 -0.339 1
1 797 . 9 1 1 A 75 75 HIS CB C 75 39.500 33.689 5.811 1
1 798 . 9 1 1 A 75 75 HIS N N 75 112.800 120.163 -7.363 1
1 799 . 9 1 1 A 76 76 ARG H H 76 9.210 8.786 0.424 1
1 800 . 9 1 1 A 76 76 ARG HA H 76 5.170 4.532 0.638 1
1 805 . 9 1 1 A 76 76 ARG CA C 76 55.300 55.824 -0.524 1
1 806 . 9 1 1 A 76 76 ARG CB C 76 33.400 33.607 -0.207 1
1 808 . 9 1 1 A 76 76 ARG N N 76 117.100 122.440 -5.340 1
1 809 . 9 1 1 A 77 77 GLY H H 77 8.740 8.316 0.424 1
1 810 . 9 1 1 A 77 77 GLY HA2 H 77 4.410 4.136 0.274 1
1 811 . 9 1 1 A 77 77 GLY HA3 H 77 3.670 4.258 -0.588 1
1 812 . 9 1 1 A 77 77 GLY CA C 77 45.400 45.569 -0.169 1
1 813 . 9 1 1 A 77 77 GLY N N 77 107.400 114.173 -6.773 1
1 814 . 9 1 1 A 78 78 PHE H H 78 7.920 7.658 0.262 1
1 815 . 9 1 1 A 78 78 PHE HA H 78 4.450 4.839 -0.389 1
1 823 . 9 1 1 A 78 78 PHE CA C 78 54.200 55.361 -1.161 1
1 824 . 9 1 1 A 78 78 PHE CB C 78 41.000 39.681 1.319 1
1 828 . 9 1 1 A 78 78 PHE N N 78 120.200 118.853 1.347 1
1 829 . 9 1 1 A 79 79 PRO HA H 79 4.470 4.688 -0.218 1
1 836 . 9 1 1 A 79 79 PRO CA C 79 63.300 62.916 0.384 1
1 837 . 9 1 1 A 79 79 PRO CB C 79 32.200 32.444 -0.244 1
1 840 . 9 1 1 A 80 80 GLY H H 80 8.820 8.739 0.081 1
1 841 . 9 1 1 A 80 80 GLY HA2 H 80 4.020 3.898 0.122 1
1 842 . 9 1 1 A 80 80 GLY HA3 H 80 3.890 3.930 -0.040 1
1 843 . 9 1 1 A 80 80 GLY CA C 80 46.600 45.545 1.055 1
1 844 . 9 1 1 A 80 80 GLY N N 80 110.100 109.036 1.064 1
1 845 . 9 1 1 A 81 81 ASP H H 81 8.360 7.896 0.464 1
1 846 . 9 1 1 A 81 81 ASP HA H 81 4.560 4.536 0.024 1
1 849 . 9 1 1 A 81 81 ASP CA C 81 53.800 56.511 -2.711 1
1 850 . 9 1 1 A 81 81 ASP CB C 81 40.300 41.046 -0.746 1
1 851 . 9 1 1 A 81 81 ASP N N 81 114.800 119.467 -4.667 1
1 852 . 9 1 1 A 82 82 LEU H H 82 7.400 7.447 -0.047 1
1 853 . 9 1 1 A 82 82 LEU HA H 82 4.720 4.237 0.483 1
1 863 . 9 1 1 A 82 82 LEU CA C 82 52.800 54.599 -1.799 1
1 864 . 9 1 1 A 82 82 LEU CB C 82 42.900 42.209 0.691 1
1 868 . 9 1 1 A 82 82 LEU N N 82 115.500 120.270 -4.770 1
1 869 . 9 1 1 A 83 83 ALA H H 83 8.930 8.816 0.114 1
1 870 . 9 1 1 A 83 83 ALA HA H 83 4.530 4.604 -0.074 1
1 874 . 9 1 1 A 83 83 ALA CA C 83 50.900 51.427 -0.527 1
1 875 . 9 1 1 A 83 83 ALA CB C 83 19.600 19.486 0.114 1
1 876 . 9 1 1 A 83 83 ALA N N 83 124.900 125.714 -0.814 1
1 877 . 9 1 1 A 84 84 VAL H H 84 8.570 9.032 -0.462 1
1 878 . 9 1 1 A 84 84 VAL HA H 84 3.930 4.428 -0.498 1
1 886 . 9 1 1 A 84 84 VAL CA C 84 61.300 61.554 -0.254 1
1 887 . 9 1 1 A 84 84 VAL CB C 84 32.800 32.036 0.764 1
1 890 . 9 1 1 A 84 84 VAL N N 84 126.800 124.334 2.466 1
1 891 . 9 1 1 A 85 85 THR H H 85 9.000 9.203 -0.203 1
1 892 . 9 1 1 A 85 85 THR HA H 85 4.440 5.004 -0.564 1
1 897 . 9 1 1 A 85 85 THR CA C 85 61.900 61.565 0.335 1
1 898 . 9 1 1 A 85 85 THR CB C 85 70.100 70.578 -0.478 1
1 900 . 9 1 1 A 85 85 THR N N 85 125.500 123.654 1.846 1
1 901 . 9 1 1 A 86 86 VAL H H 86 8.280 8.930 -0.650 1
1 902 . 9 1 1 A 86 86 VAL HA H 86 5.010 4.885 0.125 1
1 910 . 9 1 1 A 86 86 VAL CA C 86 59.300 60.116 -0.816 1
1 911 . 9 1 1 A 86 86 VAL CB C 86 33.700 35.867 -2.167 1
1 914 . 9 1 1 A 86 86 VAL N N 86 123.200 125.027 -1.827 1
1 915 . 9 1 1 A 87 87 GLU H H 87 8.560 8.796 -0.236 1
1 916 . 9 1 1 A 87 87 GLU HA H 87 4.720 4.822 -0.102 1
1 921 . 9 1 1 A 87 87 GLU CA C 87 52.400 53.628 -1.228 1
1 922 . 9 1 1 A 87 87 GLU CB C 87 33.600 32.130 1.470 1
1 924 . 9 1 1 A 87 87 GLU N N 87 124.400 126.231 -1.831 1
1 925 . 9 1 1 A 88 88 PRO HA H 88 4.770 4.457 0.313 1
1 932 . 9 1 1 A 88 88 PRO CA C 88 62.800 63.494 -0.694 1
1 933 . 9 1 1 A 88 88 PRO CB C 88 34.300 32.271 2.029 1
1 936 . 9 1 1 A 89 89 ARG H H 89 8.200 8.922 -0.722 1
1 937 . 9 1 1 A 89 89 ARG HA H 89 4.050 4.349 -0.299 1
1 945 . 9 1 1 A 89 89 ARG CA C 89 57.300 57.132 0.168 1
1 946 . 9 1 1 A 89 89 ARG CB C 89 30.700 31.087 -0.387 1
1 949 . 9 1 1 A 89 89 ARG N N 89 114.400 120.169 -5.769 1
1 951 . 9 1 1 A 90 90 MET H H 90 7.750 7.628 0.122 1
1 952 . 9 1 1 A 90 90 MET HA H 90 5.060 5.201 -0.141 1
1 960 . 9 1 1 A 90 90 MET CA C 90 53.700 53.866 -0.166 1
1 961 . 9 1 1 A 90 90 MET CB C 90 34.700 33.864 0.836 1
1 964 . 9 1 1 A 90 90 MET N N 90 115.900 118.613 -2.713 1
1 965 . 9 1 1 A 91 91 ALA H H 91 9.020 9.452 -0.432 1
1 966 . 9 1 1 A 91 91 ALA HA H 91 4.640 5.249 -0.609 1
1 970 . 9 1 1 A 91 91 ALA CA C 91 49.300 50.174 -0.874 1
1 971 . 9 1 1 A 91 91 ALA CB C 91 23.600 22.910 0.690 1
1 972 . 9 1 1 A 91 91 ALA N N 91 123.200 125.388 -2.188 1
1 973 . 9 1 1 A 92 92 ARG H H 92 8.370 8.782 -0.412 1
1 974 . 9 1 1 A 92 92 ARG HA H 92 5.480 5.414 0.066 1
1 982 . 9 1 1 A 92 92 ARG CA C 92 54.000 54.876 -0.876 1
1 983 . 9 1 1 A 92 92 ARG CB C 92 32.600 32.271 0.329 1
1 986 . 9 1 1 A 92 92 ARG N N 92 119.600 119.199 0.401 1
1 988 . 9 1 1 A 93 93 VAL H H 93 8.920 8.622 0.298 1
1 989 . 9 1 1 A 93 93 VAL HA H 93 4.510 4.812 -0.302 1
1 997 . 9 1 1 A 93 93 VAL CA C 93 61.000 59.642 1.358 1
1 998 . 9 1 1 A 93 93 VAL CB C 93 36.900 35.711 1.189 1
1 1001 . 9 1 1 A 93 93 VAL N N 93 124.100 120.803 3.297 1
1 1002 . 9 1 1 A 94 94 GLN H H 94 8.930 9.439 -0.509 1
1 1003 . 9 1 1 A 94 94 GLN HA H 94 5.400 4.998 0.402 1
1 1010 . 9 1 1 A 94 94 GLN CA C 94 53.500 54.200 -0.700 1
1 1011 . 9 1 1 A 94 94 GLN CB C 94 30.300 31.870 -1.570 1
1 1013 . 9 1 1 A 94 94 GLN N N 94 127.900 128.284 -0.384 1
1 1015 . 9 1 1 A 95 95 LEU H H 95 8.870 8.829 0.041 1
1 1016 . 9 1 1 A 95 95 LEU HA H 95 5.390 5.158 0.232 1
1 1026 . 9 1 1 A 95 95 LEU CA C 95 53.000 53.414 -0.414 1
1 1027 . 9 1 1 A 95 95 LEU CB C 95 44.800 43.639 1.161 1
1 1031 . 9 1 1 A 95 95 LEU N N 95 126.400 128.322 -1.922 1
1 1032 . 9 1 1 A 96 96 GLU H H 96 9.300 8.880 0.420 1
1 1033 . 9 1 1 A 96 96 GLU HA H 96 5.000 5.162 -0.162 1
1 1038 . 9 1 1 A 96 96 GLU CA C 96 54.300 54.529 -0.229 1
1 1039 . 9 1 1 A 96 96 GLU CB C 96 33.800 33.350 0.450 1
1 1041 . 9 1 1 A 96 96 GLU N N 96 122.700 124.797 -2.097 1
1 1042 . 9 1 1 A 97 97 GLU H H 97 9.730 8.719 1.011 1
1 1043 . 9 1 1 A 97 97 GLU HA H 97 4.360 4.748 -0.388 1
1 1048 . 9 1 1 A 97 97 GLU CA C 97 57.600 55.850 1.750 1
1 1049 . 9 1 1 A 97 97 GLU CB C 97 30.000 28.274 1.726 1
1 1051 . 9 1 1 A 97 97 GLU N N 97 126.200 127.170 -0.970 1
1 1052 . 9 1 1 A 98 98 ARG H H 98 8.300 8.233 0.067 1
1 1053 . 9 1 1 A 98 98 ARG HA H 98 4.180 5.076 -0.896 1
1 1061 . 9 1 1 A 98 98 ARG CA C 98 56.800 54.133 2.667 1
1 1062 . 9 1 1 A 98 98 ARG CB C 98 30.700 34.241 -3.541 1
1 1065 . 9 1 1 A 98 98 ARG N N 98 126.500 126.207 0.293 1
1 1067 . 9 1 1 A 99 99 GLN H H 99 8.810 8.509 0.301 1
1 1068 . 9 1 1 A 99 99 GLN HA H 99 4.370 4.787 -0.417 1
1 1075 . 9 1 1 A 99 99 GLN CA C 99 55.600 55.332 0.268 1
1 1076 . 9 1 1 A 99 99 GLN CB C 99 29.500 28.300 1.200 1
1 1078 . 9 1 1 A 99 99 GLN N N 99 123.700 123.387 0.313 1
1 1080 . 9 1 1 A 100 100 THR H H 100 8.340 8.935 -0.595 1
1 1081 . 9 1 1 A 100 100 THR HA H 100 4.330 4.210 0.120 1
1 1086 . 9 1 1 A 100 100 THR CA C 100 61.700 65.184 -3.484 1
1 1087 . 9 1 1 A 100 100 THR CB C 100 69.800 69.278 0.522 1
1 1089 . 9 1 1 A 100 100 THR N N 100 116.700 118.615 -1.915 1
1 1090 . 9 1 1 A 101 101 VAL H H 101 8.290 8.129 0.161 1
1 1091 . 9 1 1 A 101 101 VAL HA H 101 4.170 3.955 0.215 1
1 1099 . 9 1 1 A 101 101 VAL CA C 101 61.900 63.808 -1.908 1
1 1100 . 9 1 1 A 101 101 VAL CB C 101 32.800 29.880 2.920 1
1 1103 . 9 1 1 A 101 101 VAL N N 101 122.900 120.891 2.009 1
1 1104 . 9 1 1 A 102 102 SER H H 102 8.490 8.260 0.230 1
1 1105 . 9 1 1 A 102 102 SER HA H 102 4.470 4.898 -0.428 1
1 1108 . 9 1 1 A 102 102 SER CA C 102 58.000 56.678 1.322 1
1 1109 . 9 1 1 A 102 102 SER CB C 102 63.600 64.091 -0.491 1
1 1110 . 9 1 1 A 102 102 SER N N 102 120.700 118.607 2.093 1
1 1111 . 9 1 1 A 103 103 VAL H H 103 8.240 8.673 -0.433 1
1 1112 . 9 1 1 A 103 103 VAL HA H 103 4.420 4.925 -0.505 1
1 1120 . 9 1 1 A 103 103 VAL CA C 103 59.700 59.100 0.600 1
1 1121 . 9 1 1 A 103 103 VAL CB C 103 32.700 32.471 0.229 1
1 1124 . 9 1 1 A 103 103 VAL N N 103 123.900 123.089 0.811 1
1 1125 . 9 1 1 A 104 104 PRO HA H 104 4.420 4.672 -0.252 1
1 1132 . 9 1 1 A 104 104 PRO CA C 104 63.000 62.673 0.327 1
1 1133 . 9 1 1 A 104 104 PRO CB C 104 32.000 32.158 -0.158 1
1 1136 . 9 1 1 A 105 105 VAL H H 105 8.340 8.398 -0.058 1
1 1137 . 9 1 1 A 105 105 VAL HA H 105 4.130 4.786 -0.656 1
1 1145 . 9 1 1 A 105 105 VAL CA C 105 62.200 60.380 1.820 1
1 1146 . 9 1 1 A 105 105 VAL CB C 105 32.600 34.572 -1.972 1
1 1149 . 9 1 1 A 105 105 VAL N N 105 121.000 122.637 -1.637 1
1 1150 . 9 1 1 A 106 106 THR H H 106 8.210 8.627 -0.417 1
1 1151 . 9 1 1 A 106 106 THR HA H 106 4.380 4.737 -0.357 1
1 1156 . 9 1 1 A 106 106 THR CA C 106 61.400 60.420 0.980 1
1 1157 . 9 1 1 A 106 106 THR CB C 106 70.000 69.514 0.486 1
1 1159 . 9 1 1 A 106 106 THR N N 106 118.700 120.695 -1.995 1
1 1160 . 9 1 1 A 107 107 VAL H H 107 8.280 8.457 -0.177 1
1 1161 . 9 1 1 A 107 107 VAL HA H 107 4.050 4.312 -0.262 1
1 1169 . 9 1 1 A 107 107 VAL CA C 107 62.600 62.011 0.589 1
1 1170 . 9 1 1 A 107 107 VAL CB C 107 32.600 31.951 0.649 1
1 1173 . 9 1 1 A 107 107 VAL N N 107 122.700 122.947 -0.247 1
1 1174 . 9 1 1 A 108 108 GLU H H 108 8.500 7.498 1.002 1
1 1175 . 9 1 1 A 108 108 GLU HA H 108 4.230 5.030 -0.800 1
1 1180 . 9 1 1 A 108 108 GLU CA C 108 56.600 55.006 1.594 1
1 1181 . 9 1 1 A 108 108 GLU CB C 108 30.000 33.316 -3.316 1
1 1183 . 9 1 1 A 108 108 GLU N N 108 124.100 123.950 0.150 1
1 1184 . 9 1 1 A 109 109 MET H H 109 8.570 9.118 -0.548 1
1 1185 . 9 1 1 A 109 109 MET HA H 109 4.460 5.020 -0.560 1
1 1188 . 9 1 1 A 109 109 MET CA C 109 55.300 53.827 1.473 1
1 1189 . 9 1 1 A 109 109 MET CB C 109 26.800 33.584 -6.784 1
1 1190 . 9 1 1 A 109 109 MET N N 109 121.300 125.867 -4.567 1
1 1191 . 9 1 1 A 110 110 ILE H H 110 8.280 8.486 -0.206 1
1 1192 . 9 1 1 A 110 110 ILE HA H 110 4.080 4.777 -0.697 1
1 1202 . 9 1 1 A 110 110 ILE CA C 110 61.400 59.589 1.811 1
1 1203 . 9 1 1 A 110 110 ILE CB C 110 38.700 41.861 -3.161 1
1 1207 . 9 1 1 A 110 110 ILE N N 110 122.600 125.820 -3.220 1
1 1208 . 9 1 1 A 111 111 ASN H H 111 8.590 8.599 -0.009 1
1 1209 . 9 1 1 A 111 111 ASN HA H 111 4.690 5.145 -0.455 1
1 1214 . 9 1 1 A 111 111 ASN CA C 111 53.000 52.527 0.473 1
1 1215 . 9 1 1 A 111 111 ASN CB C 111 38.600 39.093 -0.493 1
1 1216 . 9 1 1 A 111 111 ASN N N 111 122.800 126.446 -3.646 1
1 1218 . 9 1 1 A 112 112 LEU H H 112 8.340 8.825 -0.485 1
1 1219 . 9 1 1 A 112 112 LEU HA H 112 4.240 4.772 -0.532 1
1 1229 . 9 1 1 A 112 112 LEU CA C 112 55.400 54.045 1.355 1
1 1230 . 9 1 1 A 112 112 LEU CB C 112 42.100 43.314 -1.214 1
1 1 . 10 1 1 A 3 3 THR HA H 3 4.250 4.407 -0.157 1
1 6 . 10 1 1 A 3 3 THR CA C 3 62.000 60.566 1.434 1
1 7 . 10 1 1 A 3 3 THR CB C 3 69.700 70.633 -0.933 1
1 9 . 10 1 1 A 4 4 PHE H H 4 8.440 8.809 -0.369 1
1 10 . 10 1 1 A 4 4 PHE HA H 4 4.650 4.615 0.035 1
1 17 . 10 1 1 A 4 4 PHE CA C 4 57.700 59.529 -1.829 1
1 18 . 10 1 1 A 4 4 PHE CB C 4 39.400 40.169 -0.769 1
1 21 . 10 1 1 A 4 4 PHE N N 4 122.400 122.304 0.096 1
1 22 . 10 1 1 A 5 5 ASP H H 5 8.500 8.889 -0.389 1
1 23 . 10 1 1 A 5 5 ASP HA H 5 4.600 4.947 -0.347 1
1 26 . 10 1 1 A 5 5 ASP CA C 5 53.900 53.242 0.658 1
1 27 . 10 1 1 A 5 5 ASP CB C 5 40.700 42.088 -1.388 1
1 28 . 10 1 1 A 5 5 ASP N N 5 121.800 122.493 -0.693 1
1 29 . 10 1 1 A 6 6 HIS H H 6 8.240 8.637 -0.397 1
1 30 . 10 1 1 A 6 6 HIS HA H 6 4.780 4.665 0.115 1
1 34 . 10 1 1 A 6 6 HIS CA C 6 55.300 56.767 -1.467 1
1 35 . 10 1 1 A 6 6 HIS CB C 6 31.500 28.634 2.866 1
1 37 . 10 1 1 A 6 6 HIS N N 6 120.400 123.329 -2.929 1
1 38 . 10 1 1 A 7 7 GLY H H 7 8.660 9.199 -0.539 1
1 39 . 10 1 1 A 7 7 GLY HA2 H 7 4.500 4.092 0.408 1
1 40 . 10 1 1 A 7 7 GLY HA3 H 7 3.580 4.140 -0.560 1
1 41 . 10 1 1 A 7 7 GLY CA C 7 44.200 44.275 -0.075 1
1 42 . 10 1 1 A 7 7 GLY N N 7 109.200 109.684 -0.484 1
1 43 . 10 1 1 A 8 8 ASN H H 8 8.040 8.886 -0.846 1
1 44 . 10 1 1 A 8 8 ASN HA H 8 5.500 5.808 -0.308 1
1 49 . 10 1 1 A 8 8 ASN CA C 8 52.600 51.681 0.919 1
1 50 . 10 1 1 A 8 8 ASN CB C 8 42.700 42.361 0.339 1
1 51 . 10 1 1 A 8 8 ASN N N 8 115.100 116.526 -1.426 1
1 53 . 10 1 1 A 9 9 LEU H H 9 8.850 9.289 -0.439 1
1 54 . 10 1 1 A 9 9 LEU HA H 9 4.530 4.895 -0.365 1
1 64 . 10 1 1 A 9 9 LEU CA C 9 54.700 53.858 0.842 1
1 65 . 10 1 1 A 9 9 LEU CB C 9 47.000 45.755 1.245 1
1 69 . 10 1 1 A 9 9 LEU N N 9 123.500 124.052 -0.552 1
1 70 . 10 1 1 A 10 10 SER H H 10 8.850 9.127 -0.277 1
1 71 . 10 1 1 A 10 10 SER HA H 10 5.030 4.436 0.594 1
1 74 . 10 1 1 A 10 10 SER CA C 10 57.000 58.812 -1.812 1
1 75 . 10 1 1 A 10 10 SER CB C 10 63.900 63.340 0.560 1
1 76 . 10 1 1 A 10 10 SER N N 10 121.800 123.232 -1.432 1
1 77 . 10 1 1 A 11 11 LEU H H 11 8.820 8.745 0.075 1
1 78 . 10 1 1 A 11 11 LEU HA H 11 4.460 4.324 0.136 1
1 88 . 10 1 1 A 11 11 LEU CA C 11 54.400 55.727 -1.327 1
1 89 . 10 1 1 A 11 11 LEU CB C 11 41.900 43.049 -1.149 1
1 93 . 10 1 1 A 11 11 LEU N N 11 127.300 127.137 0.163 1
1 94 . 10 1 1 A 12 12 GLY H H 12 8.140 7.594 0.546 1
1 95 . 10 1 1 A 12 12 GLY HA2 H 12 3.720 4.119 -0.399 1
1 96 . 10 1 1 A 12 12 GLY HA3 H 12 4.080 4.131 -0.051 1
1 97 . 10 1 1 A 12 12 GLY CA C 12 44.700 44.687 0.013 1
1 98 . 10 1 1 A 12 12 GLY N N 12 108.000 106.294 1.706 1
1 99 . 10 1 1 A 13 13 GLU H H 13 8.210 8.320 -0.110 1
1 100 . 10 1 1 A 13 13 GLU HA H 13 4.560 5.435 -0.875 1
1 105 . 10 1 1 A 13 13 GLU CA C 13 55.700 55.826 -0.126 1
1 106 . 10 1 1 A 13 13 GLU CB C 13 30.300 30.232 0.068 1
1 108 . 10 1 1 A 13 13 GLU N N 13 119.000 120.562 -1.562 1
1 109 . 10 1 1 A 14 14 LEU H H 14 9.360 9.435 -0.075 1
1 110 . 10 1 1 A 14 14 LEU HA H 14 4.720 5.053 -0.333 1
1 120 . 10 1 1 A 14 14 LEU CA C 14 53.400 53.411 -0.011 1
1 121 . 10 1 1 A 14 14 LEU CB C 14 44.200 44.717 -0.517 1
1 125 . 10 1 1 A 14 14 LEU N N 14 126.700 126.693 0.007 1
1 126 . 10 1 1 A 15 15 GLU H H 15 8.680 8.446 0.234 1
1 127 . 10 1 1 A 15 15 GLU HA H 15 4.240 4.711 -0.471 1
1 132 . 10 1 1 A 15 15 GLU CA C 15 56.900 56.178 0.722 1
1 133 . 10 1 1 A 15 15 GLU CB C 15 29.900 30.517 -0.617 1
1 135 . 10 1 1 A 15 15 GLU N N 15 120.600 122.326 -1.726 1
1 136 . 10 1 1 A 16 16 LEU H H 16 7.740 9.098 -1.358 1
1 137 . 10 1 1 A 16 16 LEU HA H 16 4.360 4.771 -0.411 1
1 147 . 10 1 1 A 16 16 LEU CA C 16 54.000 53.611 0.389 1
1 148 . 10 1 1 A 16 16 LEU CB C 16 43.300 44.595 -1.295 1
1 152 . 10 1 1 A 16 16 LEU N N 16 125.200 126.941 -1.741 1
1 153 . 10 1 1 A 17 17 THR H H 17 8.500 9.230 -0.730 1
1 154 . 10 1 1 A 17 17 THR HA H 17 4.420 4.918 -0.498 1
1 159 . 10 1 1 A 17 17 THR CA C 17 63.100 61.765 1.335 1
1 160 . 10 1 1 A 17 17 THR CB C 17 69.600 70.263 -0.663 1
1 162 . 10 1 1 A 17 17 THR N N 17 127.300 122.446 4.854 1
1 163 . 10 1 1 A 18 18 VAL H H 18 8.840 9.215 -0.375 1
1 164 . 10 1 1 A 18 18 VAL HA H 18 4.490 4.823 -0.333 1
1 172 . 10 1 1 A 18 18 VAL CA C 18 61.100 61.197 -0.097 1
1 173 . 10 1 1 A 18 18 VAL CB C 18 33.300 33.294 0.006 1
1 176 . 10 1 1 A 18 18 VAL N N 18 127.000 127.694 -0.694 1
1 177 . 10 1 1 A 19 19 LEU H H 19 8.830 9.453 -0.623 1
1 178 . 10 1 1 A 19 19 LEU HA H 19 4.920 5.233 -0.313 1
1 188 . 10 1 1 A 19 19 LEU CA C 19 53.400 53.567 -0.167 1
1 189 . 10 1 1 A 19 19 LEU CB C 19 41.200 42.249 -1.049 1
1 193 . 10 1 1 A 19 19 LEU N N 19 128.500 128.424 0.076 1
1 194 . 10 1 1 A 20 20 TYR H H 20 8.470 8.828 -0.358 1
1 195 . 10 1 1 A 20 20 TYR HA H 20 4.280 5.126 -0.846 1
1 202 . 10 1 1 A 20 20 TYR CA C 20 55.600 55.889 -0.289 1
1 203 . 10 1 1 A 20 20 TYR CB C 20 38.200 40.337 -2.137 1
1 206 . 10 1 1 A 20 20 TYR N N 20 120.300 121.423 -1.123 1
1 207 . 10 1 1 A 21 21 ASP H H 21 8.920 8.851 0.069 1
1 208 . 10 1 1 A 21 21 ASP HA H 21 4.640 4.562 0.078 1
1 211 . 10 1 1 A 21 21 ASP CA C 21 53.000 52.636 0.364 1
1 212 . 10 1 1 A 21 21 ASP CB C 21 39.300 40.560 -1.260 1
1 213 . 10 1 1 A 21 21 ASP N N 21 118.600 121.447 -2.847 1
1 214 . 10 1 1 A 22 22 GLU H H 22 7.930 8.646 -0.716 1
1 215 . 10 1 1 A 22 22 GLU HA H 22 4.250 4.078 0.172 1
1 220 . 10 1 1 A 22 22 GLU CA C 22 57.000 59.131 -2.131 1
1 221 . 10 1 1 A 22 22 GLU CB C 22 29.000 29.485 -0.485 1
1 223 . 10 1 1 A 22 22 GLU N N 22 126.600 125.577 1.023 1
1 224 . 10 1 1 A 23 23 GLU H H 23 8.060 8.113 -0.053 1
1 225 . 10 1 1 A 23 23 GLU HA H 23 4.130 4.209 -0.079 1
1 230 . 10 1 1 A 23 23 GLU CA C 23 57.800 58.247 -0.447 1
1 231 . 10 1 1 A 23 23 GLU CB C 23 29.500 29.140 0.360 1
1 233 . 10 1 1 A 23 23 GLU N N 23 117.800 118.274 -0.474 1
1 234 . 10 1 1 A 24 24 ARG H H 24 7.070 7.425 -0.355 1
1 235 . 10 1 1 A 24 24 ARG HA H 24 4.170 4.115 0.055 1
1 243 . 10 1 1 A 24 24 ARG CA C 24 56.500 57.239 -0.739 1
1 244 . 10 1 1 A 24 24 ARG CB C 24 33.500 31.160 2.340 1
1 247 . 10 1 1 A 24 24 ARG N N 24 116.700 117.500 -0.800 1
1 249 . 10 1 1 A 25 25 TYR H H 25 8.150 7.379 0.771 1
1 250 . 10 1 1 A 25 25 TYR HA H 25 5.470 5.268 0.202 1
1 257 . 10 1 1 A 25 25 TYR CA C 25 56.900 57.003 -0.103 1
1 258 . 10 1 1 A 25 25 TYR CB C 25 43.100 42.307 0.793 1
1 261 . 10 1 1 A 25 25 TYR N N 25 116.800 115.586 1.214 1
1 262 . 10 1 1 A 26 26 ASP H H 26 9.120 9.052 0.068 1
1 263 . 10 1 1 A 26 26 ASP HA H 26 5.250 5.444 -0.194 1
1 266 . 10 1 1 A 26 26 ASP CA C 26 52.400 52.922 -0.522 1
1 267 . 10 1 1 A 26 26 ASP CB C 26 44.500 44.096 0.404 1
1 268 . 10 1 1 A 26 26 ASP N N 26 116.900 120.625 -3.725 1
1 269 . 10 1 1 A 27 27 ILE H H 27 8.640 8.978 -0.338 1
1 270 . 10 1 1 A 27 27 ILE HA H 27 4.100 4.230 -0.130 1
1 280 . 10 1 1 A 27 27 ILE CA C 27 61.400 60.886 0.514 1
1 281 . 10 1 1 A 27 27 ILE CB C 27 38.600 37.004 1.596 1
1 285 . 10 1 1 A 27 27 ILE N N 27 121.200 122.075 -0.875 1
1 286 . 10 1 1 A 28 28 VAL H H 28 8.840 8.746 0.094 1
1 287 . 10 1 1 A 28 28 VAL HA H 28 3.930 3.991 -0.061 1
1 295 . 10 1 1 A 28 28 VAL CA C 28 63.800 64.150 -0.350 1
1 296 . 10 1 1 A 28 28 VAL CB C 28 32.900 32.540 0.360 1
1 299 . 10 1 1 A 28 28 VAL N N 28 128.700 129.291 -0.591 1
1 300 . 10 1 1 A 29 29 GLU H H 29 7.180 7.332 -0.152 1
1 301 . 10 1 1 A 29 29 GLU HA H 29 4.490 4.844 -0.354 1
1 306 . 10 1 1 A 29 29 GLU CA C 29 55.200 55.283 -0.083 1
1 307 . 10 1 1 A 29 29 GLU CB C 29 32.900 33.511 -0.611 1
1 309 . 10 1 1 A 29 29 GLU N N 29 116.000 118.030 -2.030 1
1 310 . 10 1 1 A 30 30 GLN H H 30 8.760 8.632 0.128 1
1 311 . 10 1 1 A 30 30 GLN HA H 30 5.450 4.655 0.795 1
1 314 . 10 1 1 A 30 30 GLN CA C 30 54.200 54.856 -0.656 1
1 315 . 10 1 1 A 30 30 GLN CB C 30 33.100 33.182 -0.082 1
1 316 . 10 1 1 A 30 30 GLN N N 30 117.200 123.987 -6.787 1
1 317 . 10 1 1 A 31 31 THR H H 31 8.200 9.005 -0.805 1
1 318 . 10 1 1 A 31 31 THR HA H 31 4.160 4.340 -0.180 1
1 323 . 10 1 1 A 31 31 THR CA C 31 64.500 62.727 1.773 1
1 324 . 10 1 1 A 31 31 THR CB C 31 70.300 68.084 2.216 1
1 326 . 10 1 1 A 31 31 THR N N 31 119.400 120.902 -1.502 1
1 327 . 10 1 1 A 32 32 GLU H H 32 9.230 8.962 0.268 1
1 328 . 10 1 1 A 32 32 GLU HA H 32 4.170 4.322 -0.152 1
1 333 . 10 1 1 A 32 32 GLU CA C 32 60.000 58.772 1.228 1
1 334 . 10 1 1 A 32 32 GLU CB C 32 31.000 31.060 -0.060 1
1 336 . 10 1 1 A 32 32 GLU N N 32 129.600 127.806 1.794 1
1 337 . 10 1 1 A 33 33 THR H H 33 7.510 8.137 -0.627 1
1 338 . 10 1 1 A 33 33 THR HA H 33 5.320 5.323 -0.003 1
1 343 . 10 1 1 A 33 33 THR CA C 33 58.500 59.840 -1.340 1
1 344 . 10 1 1 A 33 33 THR CB C 33 73.100 71.953 1.147 1
1 346 . 10 1 1 A 33 33 THR N N 33 107.500 110.513 -3.013 1
1 347 . 10 1 1 A 34 34 VAL H H 34 8.700 9.215 -0.515 1
1 348 . 10 1 1 A 34 34 VAL HA H 34 4.670 4.956 -0.286 1
1 356 . 10 1 1 A 34 34 VAL CA C 34 59.200 58.878 0.322 1
1 357 . 10 1 1 A 34 34 VAL CB C 34 35.200 35.472 -0.272 1
1 360 . 10 1 1 A 34 34 VAL N N 34 112.000 117.355 -5.355 1
1 361 . 10 1 1 A 35 35 GLN H H 35 8.930 8.611 0.319 1
1 362 . 10 1 1 A 35 35 GLN HA H 35 4.790 4.884 -0.094 1
1 369 . 10 1 1 A 35 35 GLN CA C 35 54.800 55.737 -0.937 1
1 370 . 10 1 1 A 35 35 GLN CB C 35 29.900 29.851 0.049 1
1 372 . 10 1 1 A 35 35 GLN N N 35 123.200 121.718 1.482 1
1 374 . 10 1 1 A 36 36 VAL H H 36 7.940 9.102 -1.162 1
1 375 . 10 1 1 A 36 36 VAL HA H 36 4.850 5.189 -0.339 1
1 383 . 10 1 1 A 36 36 VAL CA C 36 61.300 61.149 0.151 1
1 384 . 10 1 1 A 36 36 VAL CB C 36 34.200 33.962 0.238 1
1 387 . 10 1 1 A 36 36 VAL N N 36 124.300 125.368 -1.068 1
1 388 . 10 1 1 A 37 37 ASP H H 37 8.670 9.182 -0.512 1
1 389 . 10 1 1 A 37 37 ASP HA H 37 5.240 5.385 -0.145 1
1 392 . 10 1 1 A 37 37 ASP CA C 37 53.000 52.630 0.370 1
1 393 . 10 1 1 A 37 37 ASP CB C 37 44.700 44.442 0.258 1
1 394 . 10 1 1 A 37 37 ASP N N 37 126.900 128.163 -1.263 1
1 395 . 10 1 1 A 38 38 LEU H H 38 8.850 8.773 0.077 1
1 396 . 10 1 1 A 38 38 LEU HA H 38 5.160 5.402 -0.242 1
1 406 . 10 1 1 A 38 38 LEU CA C 38 52.400 52.380 0.020 1
1 407 . 10 1 1 A 38 38 LEU CB C 38 46.100 45.504 0.596 1
1 411 . 10 1 1 A 38 38 LEU N N 38 119.100 121.852 -2.752 1
1 412 . 10 1 1 A 39 39 GLU H H 39 8.380 9.163 -0.783 1
1 413 . 10 1 1 A 39 39 GLU HA H 39 5.210 5.407 -0.197 1
1 418 . 10 1 1 A 39 39 GLU CA C 39 54.600 54.718 -0.118 1
1 419 . 10 1 1 A 39 39 GLU CB C 39 33.900 33.209 0.691 1
1 421 . 10 1 1 A 39 39 GLU N N 39 120.800 119.360 1.440 1
1 422 . 10 1 1 A 40 40 GLY H H 40 8.110 8.390 -0.280 1
1 423 . 10 1 1 A 40 40 GLY HA2 H 40 4.230 4.033 0.197 1
1 424 . 10 1 1 A 40 40 GLY HA3 H 40 3.730 4.103 -0.373 1
1 425 . 10 1 1 A 40 40 GLY CA C 40 45.000 44.348 0.652 1
1 426 . 10 1 1 A 40 40 GLY N N 40 110.000 108.537 1.463 1
1 427 . 10 1 1 A 41 41 PRO HA H 41 4.380 4.469 -0.089 1
1 434 . 10 1 1 A 41 41 PRO CA C 41 62.200 63.076 -0.876 1
1 435 . 10 1 1 A 41 41 PRO CB C 41 32.400 31.729 0.671 1
1 438 . 10 1 1 A 42 42 ARG H H 42 9.020 8.566 0.454 1
1 439 . 10 1 1 A 42 42 ARG HA H 42 3.790 3.953 -0.163 1
1 446 . 10 1 1 A 42 42 ARG CA C 42 60.400 58.877 1.523 1
1 447 . 10 1 1 A 42 42 ARG CB C 42 29.900 29.904 -0.004 1
1 450 . 10 1 1 A 42 42 ARG N N 42 125.500 122.996 2.504 1
1 451 . 10 1 1 A 43 43 GLY H H 43 9.310 8.360 0.950 1
1 452 . 10 1 1 A 43 43 GLY HA2 H 43 3.890 3.745 0.145 1
1 453 . 10 1 1 A 43 43 GLY HA3 H 43 3.890 3.753 0.137 1
1 454 . 10 1 1 A 43 43 GLY CA C 43 47.000 47.488 -0.488 1
1 455 . 10 1 1 A 43 43 GLY N N 43 107.200 108.713 -1.513 1
1 456 . 10 1 1 A 44 44 VAL H H 44 6.930 8.280 -1.350 1
1 457 . 10 1 1 A 44 44 VAL HA H 44 3.800 3.781 0.019 1
1 465 . 10 1 1 A 44 44 VAL CA C 44 65.100 65.960 -0.860 1
1 466 . 10 1 1 A 44 44 VAL CB C 44 32.000 31.826 0.174 1
1 469 . 10 1 1 A 44 44 VAL N N 44 121.100 122.956 -1.856 1
1 470 . 10 1 1 A 45 45 LEU H H 45 7.830 7.691 0.139 1
1 471 . 10 1 1 A 45 45 LEU HA H 45 3.890 3.838 0.052 1
1 481 . 10 1 1 A 45 45 LEU CA C 45 58.100 58.214 -0.114 1
1 482 . 10 1 1 A 45 45 LEU CB C 45 41.800 41.809 -0.009 1
1 486 . 10 1 1 A 45 45 LEU N N 45 120.700 119.555 1.145 1
1 487 . 10 1 1 A 46 46 THR H H 46 8.340 8.082 0.258 1
1 488 . 10 1 1 A 46 46 THR HA H 46 3.850 3.746 0.104 1
1 493 . 10 1 1 A 46 46 THR CA C 46 66.800 66.565 0.235 1
1 494 . 10 1 1 A 46 46 THR CB C 46 68.800 67.929 0.871 1
1 496 . 10 1 1 A 46 46 THR N N 46 114.900 114.674 0.226 1
1 497 . 10 1 1 A 47 47 VAL H H 47 7.210 7.869 -0.659 1
1 498 . 10 1 1 A 47 47 VAL HA H 47 3.820 3.937 -0.117 1
1 506 . 10 1 1 A 47 47 VAL CA C 47 65.600 66.783 -1.183 1
1 507 . 10 1 1 A 47 47 VAL CB C 47 31.900 31.704 0.196 1
1 510 . 10 1 1 A 47 47 VAL N N 47 119.600 121.276 -1.676 1
1 511 . 10 1 1 A 48 48 PHE H H 48 8.140 8.515 -0.375 1
1 512 . 10 1 1 A 48 48 PHE HA H 48 4.210 4.094 0.116 1
1 520 . 10 1 1 A 48 48 PHE CA C 48 61.100 61.172 -0.072 1
1 521 . 10 1 1 A 48 48 PHE CB C 48 39.200 39.031 0.169 1
1 525 . 10 1 1 A 48 48 PHE N N 48 120.600 120.462 0.138 1
1 526 . 10 1 1 A 49 49 ARG H H 49 8.150 7.937 0.213 1
1 527 . 10 1 1 A 49 49 ARG HA H 49 3.710 4.008 -0.298 1
1 534 . 10 1 1 A 49 49 ARG CA C 49 58.500 58.900 -0.400 1
1 535 . 10 1 1 A 49 49 ARG CB C 49 30.000 29.552 0.448 1
1 538 . 10 1 1 A 49 49 ARG N N 49 117.500 118.271 -0.771 1
1 539 . 10 1 1 A 50 50 PHE H H 50 7.270 7.223 0.047 1
1 540 . 10 1 1 A 50 50 PHE HA H 50 4.620 4.426 0.194 1
1 548 . 10 1 1 A 50 50 PHE CA C 50 57.700 59.171 -1.471 1
1 549 . 10 1 1 A 50 50 PHE CB C 50 39.600 39.675 -0.075 1
1 553 . 10 1 1 A 50 50 PHE N N 50 115.500 116.191 -0.691 1
1 554 . 10 1 1 A 51 51 ALA H H 51 7.620 7.248 0.372 1
1 555 . 10 1 1 A 51 51 ALA HA H 51 4.320 4.370 -0.050 1
1 559 . 10 1 1 A 51 51 ALA CA C 51 51.700 51.420 0.280 1
1 560 . 10 1 1 A 51 51 ALA CB C 51 19.300 20.976 -1.676 1
1 561 . 10 1 1 A 51 51 ALA N N 51 124.200 121.028 3.172 1
1 562 . 10 1 1 A 52 52 ARG H H 52 8.570 8.281 0.289 1
1 563 . 10 1 1 A 52 52 ARG HA H 52 4.270 4.665 -0.395 1
1 570 . 10 1 1 A 52 52 ARG CA C 52 54.700 54.046 0.654 1
1 571 . 10 1 1 A 52 52 ARG CB C 52 29.300 29.491 -0.191 1
1 574 . 10 1 1 A 52 52 ARG N N 52 123.500 120.017 3.483 1
1 575 . 10 1 1 A 53 53 PRO HA H 53 4.240 4.515 -0.275 1
1 582 . 10 1 1 A 53 53 PRO CA C 53 63.600 62.586 1.014 1
1 583 . 10 1 1 A 53 53 PRO CB C 53 31.600 31.626 -0.026 1
1 586 . 10 1 1 A 54 54 SER H H 54 8.100 8.932 -0.832 1
1 587 . 10 1 1 A 54 54 SER HA H 54 4.390 4.684 -0.294 1
1 590 . 10 1 1 A 54 54 SER CA C 54 57.200 57.785 -0.585 1
1 591 . 10 1 1 A 54 54 SER CB C 54 63.100 64.607 -1.507 1
1 592 . 10 1 1 A 54 54 SER N N 54 117.200 116.365 0.835 1
1 593 . 10 1 1 A 55 55 TYR H H 55 6.640 7.330 -0.690 1
1 594 . 10 1 1 A 55 55 TYR HA H 55 5.030 5.284 -0.254 1
1 601 . 10 1 1 A 55 55 TYR CA C 55 53.900 56.367 -2.467 1
1 602 . 10 1 1 A 55 55 TYR CB C 55 39.200 40.606 -1.406 1
1 605 . 10 1 1 A 55 55 TYR N N 55 119.200 119.123 0.077 1
1 606 . 10 1 1 A 56 56 GLU H H 56 8.890 9.069 -0.179 1
1 607 . 10 1 1 A 56 56 GLU HA H 56 4.740 4.906 -0.166 1
1 612 . 10 1 1 A 56 56 GLU CA C 56 55.700 54.787 0.913 1
1 613 . 10 1 1 A 56 56 GLU CB C 56 35.000 33.646 1.354 1
1 615 . 10 1 1 A 56 56 GLU N N 56 118.800 121.163 -2.363 1
1 616 . 10 1 1 A 57 57 VAL H H 57 8.830 8.248 0.582 1
1 617 . 10 1 1 A 57 57 VAL HA H 57 5.370 4.695 0.675 1
1 625 . 10 1 1 A 57 57 VAL CA C 57 59.900 61.168 -1.268 1
1 626 . 10 1 1 A 57 57 VAL CB C 57 33.300 33.062 0.238 1
1 629 . 10 1 1 A 57 57 VAL N N 57 117.800 121.491 -3.691 1
1 630 . 10 1 1 A 58 58 PHE H H 58 8.870 9.372 -0.502 1
1 631 . 10 1 1 A 58 58 PHE HA H 58 6.090 5.667 0.423 1
1 634 . 10 1 1 A 58 58 PHE CA C 58 55.600 56.092 -0.492 1
1 635 . 10 1 1 A 58 58 PHE CB C 58 42.700 44.026 -1.326 1
1 636 . 10 1 1 A 58 58 PHE N N 58 120.600 125.864 -5.264 1
1 637 . 10 1 1 A 59 59 VAL H H 59 8.270 8.739 -0.469 1
1 638 . 10 1 1 A 59 59 VAL HA H 59 4.730 4.876 -0.146 1
1 646 . 10 1 1 A 59 59 VAL CA C 59 58.500 60.529 -2.029 1
1 647 . 10 1 1 A 59 59 VAL CB C 59 34.800 35.766 -0.966 1
1 650 . 10 1 1 A 59 59 VAL N N 59 108.700 120.270 -11.570 1
1 651 . 10 1 1 A 60 60 ASP H H 60 9.360 8.848 0.512 1
1 652 . 10 1 1 A 60 60 ASP HA H 60 5.080 5.132 -0.052 1
1 655 . 10 1 1 A 60 60 ASP CA C 60 52.700 53.508 -0.808 1
1 656 . 10 1 1 A 60 60 ASP CB C 60 41.100 41.789 -0.689 1
1 657 . 10 1 1 A 60 60 ASP N N 60 123.000 127.603 -4.603 1
1 658 . 10 1 1 A 61 61 LEU H H 61 9.230 9.151 0.079 1
1 659 . 10 1 1 A 61 61 LEU HA H 61 4.670 4.753 -0.083 1
1 669 . 10 1 1 A 61 61 LEU CA C 61 53.300 54.230 -0.930 1
1 670 . 10 1 1 A 61 61 LEU CB C 61 40.900 43.135 -2.235 1
1 674 . 10 1 1 A 61 61 LEU N N 61 128.600 125.864 2.736 1
1 675 . 10 1 1 A 62 62 THR H H 62 8.720 7.735 0.985 1
1 676 . 10 1 1 A 62 62 THR HA H 62 3.590 4.062 -0.472 1
1 681 . 10 1 1 A 62 62 THR CA C 62 67.000 66.124 0.876 1
1 682 . 10 1 1 A 62 62 THR CB C 62 69.100 68.476 0.624 1
1 684 . 10 1 1 A 62 62 THR N N 62 115.800 114.518 1.282 1
1 685 . 10 1 1 A 63 63 GLU H H 63 8.490 7.782 0.708 1
1 686 . 10 1 1 A 63 63 GLU HA H 63 4.530 4.495 0.035 1
1 691 . 10 1 1 A 63 63 GLU CA C 63 55.100 56.003 -0.903 1
1 692 . 10 1 1 A 63 63 GLU CB C 63 29.200 30.420 -1.220 1
1 694 . 10 1 1 A 63 63 GLU N N 63 118.800 117.052 1.748 1
1 695 . 10 1 1 A 64 64 ALA H H 64 7.100 7.321 -0.221 1
1 696 . 10 1 1 A 64 64 ALA HA H 64 4.130 4.214 -0.084 1
1 700 . 10 1 1 A 64 64 ALA CA C 64 51.500 50.549 0.951 1
1 701 . 10 1 1 A 64 64 ALA CB C 64 20.900 20.523 0.377 1
1 702 . 10 1 1 A 64 64 ALA N N 64 123.700 123.240 0.460 1
1 703 . 10 1 1 A 65 65 GLY H H 65 7.800 8.194 -0.394 1
1 704 . 10 1 1 A 65 65 GLY HA2 H 65 4.180 3.628 0.552 1
1 705 . 10 1 1 A 65 65 GLY HA3 H 65 3.540 3.896 -0.356 1
1 706 . 10 1 1 A 65 65 GLY CA C 65 42.600 44.111 -1.511 1
1 707 . 10 1 1 A 65 65 GLY N N 65 106.800 108.309 -1.509 1
1 708 . 10 1 1 A 66 66 GLU H H 66 8.490 8.327 0.163 1
1 709 . 10 1 1 A 66 66 GLU HA H 66 3.750 4.504 -0.754 1
1 714 . 10 1 1 A 66 66 GLU CA C 66 57.400 57.593 -0.193 1
1 715 . 10 1 1 A 66 66 GLU CB C 66 30.300 30.419 -0.119 1
1 717 . 10 1 1 A 66 66 GLU N N 66 119.900 121.655 -1.755 1
1 718 . 10 1 1 A 67 67 GLY H H 67 8.470 8.056 0.414 1
1 719 . 10 1 1 A 67 67 GLY HA2 H 67 3.770 3.921 -0.151 1
1 720 . 10 1 1 A 67 67 GLY HA3 H 67 4.390 3.984 0.406 1
1 721 . 10 1 1 A 67 67 GLY CA C 67 43.400 44.379 -0.979 1
1 722 . 10 1 1 A 67 67 GLY N N 67 110.800 109.623 1.177 1
1 723 . 10 1 1 A 68 68 SER H H 68 8.250 8.200 0.050 1
1 724 . 10 1 1 A 68 68 SER HA H 68 4.610 4.745 -0.135 1
1 727 . 10 1 1 A 68 68 SER CA C 68 57.700 57.894 -0.194 1
1 728 . 10 1 1 A 68 68 SER CB C 68 63.300 63.980 -0.680 1
1 729 . 10 1 1 A 68 68 SER N N 68 114.500 114.901 -0.401 1
1 730 . 10 1 1 A 69 69 HIS H H 69 8.780 9.074 -0.294 1
1 731 . 10 1 1 A 69 69 HIS HA H 69 4.790 5.178 -0.388 1
1 734 . 10 1 1 A 69 69 HIS CA C 69 55.300 54.590 0.710 1
1 735 . 10 1 1 A 69 69 HIS CB C 69 33.900 32.668 1.232 1
1 736 . 10 1 1 A 69 69 HIS N N 69 125.400 124.588 0.812 1
1 737 . 10 1 1 A 70 70 THR H H 70 8.870 8.969 -0.099 1
1 738 . 10 1 1 A 70 70 THR HA H 70 5.380 5.568 -0.188 1
1 743 . 10 1 1 A 70 70 THR CA C 70 61.600 62.015 -0.415 1
1 744 . 10 1 1 A 70 70 THR CB C 70 69.400 70.359 -0.959 1
1 746 . 10 1 1 A 70 70 THR N N 70 121.200 118.426 2.774 1
1 747 . 10 1 1 A 71 71 VAL H H 71 8.860 8.717 0.143 1
1 748 . 10 1 1 A 71 71 VAL HA H 71 4.730 4.985 -0.255 1
1 756 . 10 1 1 A 71 71 VAL CA C 71 58.900 58.774 0.126 1
1 757 . 10 1 1 A 71 71 VAL CB C 71 36.000 35.858 0.142 1
1 760 . 10 1 1 A 71 71 VAL N N 71 122.100 119.744 2.356 1
1 761 . 10 1 1 A 72 72 ASP H H 72 8.610 8.550 0.060 1
1 762 . 10 1 1 A 72 72 ASP HA H 72 4.660 4.711 -0.051 1
1 765 . 10 1 1 A 72 72 ASP CA C 72 55.500 54.948 0.552 1
1 766 . 10 1 1 A 72 72 ASP CB C 72 40.800 41.394 -0.594 1
1 767 . 10 1 1 A 72 72 ASP N N 72 124.300 121.342 2.958 1
1 768 . 10 1 1 A 73 73 VAL H H 73 8.090 8.603 -0.513 1
1 769 . 10 1 1 A 73 73 VAL HA H 73 3.770 4.524 -0.754 1
1 777 . 10 1 1 A 73 73 VAL CA C 73 63.600 61.686 1.914 1
1 778 . 10 1 1 A 73 73 VAL CB C 73 31.600 33.100 -1.500 1
1 781 . 10 1 1 A 73 73 VAL N N 73 121.400 122.254 -0.854 1
1 782 . 10 1 1 A 74 74 GLU H H 74 8.900 8.861 0.039 1
1 783 . 10 1 1 A 74 74 GLU HA H 74 4.370 4.885 -0.515 1
1 788 . 10 1 1 A 74 74 GLU CA C 74 54.700 55.267 -0.567 1
1 789 . 10 1 1 A 74 74 GLU CB C 74 33.300 32.149 1.151 1
1 791 . 10 1 1 A 74 74 GLU N N 74 129.600 126.824 2.776 1
1 792 . 10 1 1 A 75 75 HIS H H 75 7.940 8.527 -0.587 1
1 793 . 10 1 1 A 75 75 HIS HA H 75 5.830 5.775 0.055 1
1 796 . 10 1 1 A 75 75 HIS CA C 75 54.100 53.590 0.510 1
1 797 . 10 1 1 A 75 75 HIS CB C 75 39.500 33.471 6.029 1
1 798 . 10 1 1 A 75 75 HIS N N 75 112.800 117.592 -4.792 1
1 799 . 10 1 1 A 76 76 ARG H H 76 9.210 8.639 0.571 1
1 800 . 10 1 1 A 76 76 ARG HA H 76 5.170 4.648 0.522 1
1 805 . 10 1 1 A 76 76 ARG CA C 76 55.300 55.651 -0.351 1
1 806 . 10 1 1 A 76 76 ARG CB C 76 33.400 34.059 -0.659 1
1 808 . 10 1 1 A 76 76 ARG N N 76 117.100 121.390 -4.290 1
1 809 . 10 1 1 A 77 77 GLY H H 77 8.740 8.288 0.452 1
1 810 . 10 1 1 A 77 77 GLY HA2 H 77 4.410 4.162 0.248 1
1 811 . 10 1 1 A 77 77 GLY HA3 H 77 3.670 4.240 -0.570 1
1 812 . 10 1 1 A 77 77 GLY CA C 77 45.400 45.673 -0.273 1
1 813 . 10 1 1 A 77 77 GLY N N 77 107.400 113.782 -6.382 1
1 814 . 10 1 1 A 78 78 PHE H H 78 7.920 7.801 0.119 1
1 815 . 10 1 1 A 78 78 PHE HA H 78 4.450 4.560 -0.110 1
1 823 . 10 1 1 A 78 78 PHE CA C 78 54.200 55.464 -1.264 1
1 824 . 10 1 1 A 78 78 PHE CB C 78 41.000 39.173 1.827 1
1 828 . 10 1 1 A 78 78 PHE N N 78 120.200 119.662 0.538 1
1 829 . 10 1 1 A 79 79 PRO HA H 79 4.470 4.800 -0.330 1
1 836 . 10 1 1 A 79 79 PRO CA C 79 63.300 62.140 1.160 1
1 837 . 10 1 1 A 79 79 PRO CB C 79 32.200 32.718 -0.518 1
1 840 . 10 1 1 A 80 80 GLY H H 80 8.820 8.779 0.041 1
1 841 . 10 1 1 A 80 80 GLY HA2 H 80 4.020 4.027 -0.007 1
1 842 . 10 1 1 A 80 80 GLY HA3 H 80 3.890 4.034 -0.144 1
1 843 . 10 1 1 A 80 80 GLY CA C 80 46.600 46.313 0.287 1
1 844 . 10 1 1 A 80 80 GLY N N 80 110.100 108.002 2.098 1
1 845 . 10 1 1 A 81 81 ASP H H 81 8.360 7.833 0.527 1
1 846 . 10 1 1 A 81 81 ASP HA H 81 4.560 4.514 0.046 1
1 849 . 10 1 1 A 81 81 ASP CA C 81 53.800 56.518 -2.718 1
1 850 . 10 1 1 A 81 81 ASP CB C 81 40.300 41.829 -1.529 1
1 851 . 10 1 1 A 81 81 ASP N N 81 114.800 119.431 -4.631 1
1 852 . 10 1 1 A 82 82 LEU H H 82 7.400 7.627 -0.227 1
1 853 . 10 1 1 A 82 82 LEU HA H 82 4.720 4.457 0.263 1
1 863 . 10 1 1 A 82 82 LEU CA C 82 52.800 54.285 -1.485 1
1 864 . 10 1 1 A 82 82 LEU CB C 82 42.900 42.156 0.744 1
1 868 . 10 1 1 A 82 82 LEU N N 82 115.500 119.087 -3.587 1
1 869 . 10 1 1 A 83 83 ALA H H 83 8.930 8.381 0.549 1
1 870 . 10 1 1 A 83 83 ALA HA H 83 4.530 4.590 -0.060 1
1 874 . 10 1 1 A 83 83 ALA CA C 83 50.900 51.138 -0.238 1
1 875 . 10 1 1 A 83 83 ALA CB C 83 19.600 19.353 0.247 1
1 876 . 10 1 1 A 83 83 ALA N N 83 124.900 123.756 1.144 1
1 877 . 10 1 1 A 84 84 VAL H H 84 8.570 8.883 -0.313 1
1 878 . 10 1 1 A 84 84 VAL HA H 84 3.930 4.610 -0.680 1
1 886 . 10 1 1 A 84 84 VAL CA C 84 61.300 61.120 0.180 1
1 887 . 10 1 1 A 84 84 VAL CB C 84 32.800 33.077 -0.277 1
1 890 . 10 1 1 A 84 84 VAL N N 84 126.800 124.207 2.593 1
1 891 . 10 1 1 A 85 85 THR H H 85 9.000 9.063 -0.063 1
1 892 . 10 1 1 A 85 85 THR HA H 85 4.440 4.906 -0.466 1
1 897 . 10 1 1 A 85 85 THR CA C 85 61.900 61.885 0.015 1
1 898 . 10 1 1 A 85 85 THR CB C 85 70.100 70.214 -0.114 1
1 900 . 10 1 1 A 85 85 THR N N 85 125.500 123.484 2.016 1
1 901 . 10 1 1 A 86 86 VAL H H 86 8.280 9.068 -0.788 1
1 902 . 10 1 1 A 86 86 VAL HA H 86 5.010 5.290 -0.280 1
1 910 . 10 1 1 A 86 86 VAL CA C 86 59.300 59.734 -0.434 1
1 911 . 10 1 1 A 86 86 VAL CB C 86 33.700 34.895 -1.195 1
1 914 . 10 1 1 A 86 86 VAL N N 86 123.200 125.743 -2.543 1
1 915 . 10 1 1 A 87 87 GLU H H 87 8.560 8.416 0.144 1
1 916 . 10 1 1 A 87 87 GLU HA H 87 4.720 4.789 -0.069 1
1 921 . 10 1 1 A 87 87 GLU CA C 87 52.400 53.867 -1.467 1
1 922 . 10 1 1 A 87 87 GLU CB C 87 33.600 30.909 2.691 1
1 924 . 10 1 1 A 87 87 GLU N N 87 124.400 124.653 -0.253 1
1 925 . 10 1 1 A 88 88 PRO HA H 88 4.770 4.885 -0.115 1
1 932 . 10 1 1 A 88 88 PRO CA C 88 62.800 61.907 0.893 1
1 933 . 10 1 1 A 88 88 PRO CB C 88 34.300 32.667 1.633 1
1 936 . 10 1 1 A 89 89 ARG H H 89 8.200 9.078 -0.878 1
1 937 . 10 1 1 A 89 89 ARG HA H 89 4.050 4.248 -0.198 1
1 945 . 10 1 1 A 89 89 ARG CA C 89 57.300 58.240 -0.940 1
1 946 . 10 1 1 A 89 89 ARG CB C 89 30.700 30.984 -0.284 1
1 949 . 10 1 1 A 89 89 ARG N N 89 114.400 120.314 -5.914 1
1 951 . 10 1 1 A 90 90 MET H H 90 7.750 7.814 -0.064 1
1 952 . 10 1 1 A 90 90 MET HA H 90 5.060 5.065 -0.005 1
1 960 . 10 1 1 A 90 90 MET CA C 90 53.700 54.180 -0.480 1
1 961 . 10 1 1 A 90 90 MET CB C 90 34.700 38.304 -3.604 1
1 964 . 10 1 1 A 90 90 MET N N 90 115.900 117.502 -1.602 1
1 965 . 10 1 1 A 91 91 ALA H H 91 9.020 9.388 -0.368 1
1 966 . 10 1 1 A 91 91 ALA HA H 91 4.640 5.337 -0.697 1
1 970 . 10 1 1 A 91 91 ALA CA C 91 49.300 50.027 -0.727 1
1 971 . 10 1 1 A 91 91 ALA CB C 91 23.600 22.669 0.931 1
1 972 . 10 1 1 A 91 91 ALA N N 91 123.200 122.843 0.357 1
1 973 . 10 1 1 A 92 92 ARG H H 92 8.370 8.446 -0.076 1
1 974 . 10 1 1 A 92 92 ARG HA H 92 5.480 5.375 0.105 1
1 982 . 10 1 1 A 92 92 ARG CA C 92 54.000 54.954 -0.954 1
1 983 . 10 1 1 A 92 92 ARG CB C 92 32.600 32.303 0.297 1
1 986 . 10 1 1 A 92 92 ARG N N 92 119.600 119.763 -0.163 1
1 988 . 10 1 1 A 93 93 VAL H H 93 8.920 9.104 -0.184 1
1 989 . 10 1 1 A 93 93 VAL HA H 93 4.510 4.851 -0.341 1
1 997 . 10 1 1 A 93 93 VAL CA C 93 61.000 60.941 0.059 1
1 998 . 10 1 1 A 93 93 VAL CB C 93 36.900 35.017 1.883 1
1 1001 . 10 1 1 A 93 93 VAL N N 93 124.100 123.834 0.266 1
1 1002 . 10 1 1 A 94 94 GLN H H 94 8.930 8.614 0.316 1
1 1003 . 10 1 1 A 94 94 GLN HA H 94 5.400 5.297 0.103 1
1 1010 . 10 1 1 A 94 94 GLN CA C 94 53.500 54.542 -1.042 1
1 1011 . 10 1 1 A 94 94 GLN CB C 94 30.300 30.819 -0.519 1
1 1013 . 10 1 1 A 94 94 GLN N N 94 127.900 125.240 2.660 1
1 1015 . 10 1 1 A 95 95 LEU H H 95 8.870 8.998 -0.128 1
1 1016 . 10 1 1 A 95 95 LEU HA H 95 5.390 5.328 0.062 1
1 1026 . 10 1 1 A 95 95 LEU CA C 95 53.000 53.227 -0.227 1
1 1027 . 10 1 1 A 95 95 LEU CB C 95 44.800 44.775 0.025 1
1 1031 . 10 1 1 A 95 95 LEU N N 95 126.400 125.826 0.574 1
1 1032 . 10 1 1 A 96 96 GLU H H 96 9.300 8.826 0.474 1
1 1033 . 10 1 1 A 96 96 GLU HA H 96 5.000 4.882 0.118 1
1 1038 . 10 1 1 A 96 96 GLU CA C 96 54.300 54.275 0.025 1
1 1039 . 10 1 1 A 96 96 GLU CB C 96 33.800 33.220 0.580 1
1 1041 . 10 1 1 A 96 96 GLU N N 96 122.700 121.874 0.826 1
1 1042 . 10 1 1 A 97 97 GLU H H 97 9.730 8.490 1.240 1
1 1043 . 10 1 1 A 97 97 GLU HA H 97 4.360 4.585 -0.225 1
1 1048 . 10 1 1 A 97 97 GLU CA C 97 57.600 57.222 0.378 1
1 1049 . 10 1 1 A 97 97 GLU CB C 97 30.000 30.422 -0.422 1
1 1051 . 10 1 1 A 97 97 GLU N N 97 126.200 123.593 2.607 1
1 1052 . 10 1 1 A 98 98 ARG H H 98 8.300 8.646 -0.346 1
1 1053 . 10 1 1 A 98 98 ARG HA H 98 4.180 4.567 -0.387 1
1 1061 . 10 1 1 A 98 98 ARG CA C 98 56.800 55.162 1.638 1
1 1062 . 10 1 1 A 98 98 ARG CB C 98 30.700 30.998 -0.298 1
1 1065 . 10 1 1 A 98 98 ARG N N 98 126.500 123.018 3.482 1
1 1067 . 10 1 1 A 99 99 GLN H H 99 8.810 8.766 0.044 1
1 1068 . 10 1 1 A 99 99 GLN HA H 99 4.370 4.109 0.261 1
1 1075 . 10 1 1 A 99 99 GLN CA C 99 55.600 58.457 -2.857 1
1 1076 . 10 1 1 A 99 99 GLN CB C 99 29.500 29.154 0.346 1
1 1078 . 10 1 1 A 99 99 GLN N N 99 123.700 119.788 3.912 1
1 1080 . 10 1 1 A 100 100 THR H H 100 8.340 7.596 0.744 1
1 1081 . 10 1 1 A 100 100 THR HA H 100 4.330 4.602 -0.272 1
1 1086 . 10 1 1 A 100 100 THR CA C 100 61.700 61.910 -0.210 1
1 1087 . 10 1 1 A 100 100 THR CB C 100 69.800 70.932 -1.132 1
1 1089 . 10 1 1 A 100 100 THR N N 100 116.700 112.032 4.668 1
1 1090 . 10 1 1 A 101 101 VAL H H 101 8.290 8.739 -0.449 1
1 1091 . 10 1 1 A 101 101 VAL HA H 101 4.170 4.102 0.068 1
1 1099 . 10 1 1 A 101 101 VAL CA C 101 61.900 62.010 -0.110 1
1 1100 . 10 1 1 A 101 101 VAL CB C 101 32.800 31.311 1.489 1
1 1103 . 10 1 1 A 101 101 VAL N N 101 122.900 126.566 -3.666 1
1 1104 . 10 1 1 A 102 102 SER H H 102 8.490 8.759 -0.269 1
1 1105 . 10 1 1 A 102 102 SER HA H 102 4.470 4.717 -0.247 1
1 1108 . 10 1 1 A 102 102 SER CA C 102 58.000 57.705 0.295 1
1 1109 . 10 1 1 A 102 102 SER CB C 102 63.600 64.176 -0.576 1
1 1110 . 10 1 1 A 102 102 SER N N 102 120.700 119.346 1.354 1
1 1111 . 10 1 1 A 103 103 VAL H H 103 8.240 7.394 0.846 1
1 1112 . 10 1 1 A 103 103 VAL HA H 103 4.420 4.605 -0.185 1
1 1120 . 10 1 1 A 103 103 VAL CA C 103 59.700 58.731 0.969 1
1 1121 . 10 1 1 A 103 103 VAL CB C 103 32.700 34.029 -1.329 1
1 1124 . 10 1 1 A 103 103 VAL N N 103 123.900 122.323 1.577 1
1 1125 . 10 1 1 A 104 104 PRO HA H 104 4.420 4.504 -0.084 1
1 1132 . 10 1 1 A 104 104 PRO CA C 104 63.000 62.849 0.151 1
1 1133 . 10 1 1 A 104 104 PRO CB C 104 32.000 32.398 -0.398 1
1 1136 . 10 1 1 A 105 105 VAL H H 105 8.340 8.562 -0.222 1
1 1137 . 10 1 1 A 105 105 VAL HA H 105 4.130 4.361 -0.231 1
1 1145 . 10 1 1 A 105 105 VAL CA C 105 62.200 61.393 0.807 1
1 1146 . 10 1 1 A 105 105 VAL CB C 105 32.600 31.574 1.026 1
1 1149 . 10 1 1 A 105 105 VAL N N 105 121.000 123.798 -2.798 1
1 1150 . 10 1 1 A 106 106 THR H H 106 8.210 8.968 -0.758 1
1 1151 . 10 1 1 A 106 106 THR HA H 106 4.380 4.762 -0.382 1
1 1156 . 10 1 1 A 106 106 THR CA C 106 61.400 62.051 -0.651 1
1 1157 . 10 1 1 A 106 106 THR CB C 106 70.000 69.119 0.881 1
1 1159 . 10 1 1 A 106 106 THR N N 106 118.700 123.609 -4.909 1
1 1160 . 10 1 1 A 107 107 VAL H H 107 8.280 8.979 -0.699 1
1 1161 . 10 1 1 A 107 107 VAL HA H 107 4.050 4.422 -0.372 1
1 1169 . 10 1 1 A 107 107 VAL CA C 107 62.600 61.060 1.540 1
1 1170 . 10 1 1 A 107 107 VAL CB C 107 32.600 33.992 -1.392 1
1 1173 . 10 1 1 A 107 107 VAL N N 107 122.700 128.245 -5.545 1
1 1174 . 10 1 1 A 108 108 GLU H H 108 8.500 8.866 -0.366 1
1 1175 . 10 1 1 A 108 108 GLU HA H 108 4.230 4.262 -0.032 1
1 1180 . 10 1 1 A 108 108 GLU CA C 108 56.600 56.119 0.481 1
1 1181 . 10 1 1 A 108 108 GLU CB C 108 30.000 30.111 -0.111 1
1 1183 . 10 1 1 A 108 108 GLU N N 108 124.100 124.335 -0.235 1
1 1184 . 10 1 1 A 109 109 MET H H 109 8.570 7.570 1.000 1
1 1185 . 10 1 1 A 109 109 MET HA H 109 4.460 4.385 0.075 1
1 1188 . 10 1 1 A 109 109 MET CA C 109 55.300 55.492 -0.192 1
1 1189 . 10 1 1 A 109 109 MET CB C 109 26.800 33.986 -7.186 1
1 1190 . 10 1 1 A 109 109 MET N N 109 121.300 121.243 0.057 1
1 1191 . 10 1 1 A 110 110 ILE H H 110 8.280 8.697 -0.417 1
1 1192 . 10 1 1 A 110 110 ILE HA H 110 4.080 4.123 -0.043 1
1 1202 . 10 1 1 A 110 110 ILE CA C 110 61.400 61.372 0.028 1
1 1203 . 10 1 1 A 110 110 ILE CB C 110 38.700 36.118 2.582 1
1 1207 . 10 1 1 A 110 110 ILE N N 110 122.600 126.109 -3.509 1
1 1208 . 10 1 1 A 111 111 ASN H H 111 8.590 8.831 -0.241 1
1 1209 . 10 1 1 A 111 111 ASN HA H 111 4.690 5.072 -0.382 1
1 1214 . 10 1 1 A 111 111 ASN CA C 111 53.000 52.805 0.195 1
1 1215 . 10 1 1 A 111 111 ASN CB C 111 38.600 40.240 -1.640 1
1 1216 . 10 1 1 A 111 111 ASN N N 111 122.800 124.808 -2.008 1
1 1218 . 10 1 1 A 112 112 LEU H H 112 8.340 7.375 0.965 1
1 1219 . 10 1 1 A 112 112 LEU HA H 112 4.240 4.824 -0.584 1
1 1229 . 10 1 1 A 112 112 LEU CA C 112 55.400 54.401 0.999 1
1 1230 . 10 1 1 A 112 112 LEU CB C 112 42.100 44.741 -2.641 1
1 1 . 11 1 1 A 3 3 THR HA H 3 4.250 4.459 -0.209 1
1 6 . 11 1 1 A 3 3 THR CA C 3 62.000 61.560 0.440 1
1 7 . 11 1 1 A 3 3 THR CB C 3 69.700 68.785 0.915 1
1 9 . 11 1 1 A 4 4 PHE H H 4 8.440 7.661 0.779 1
1 10 . 11 1 1 A 4 4 PHE HA H 4 4.650 4.730 -0.080 1
1 17 . 11 1 1 A 4 4 PHE CA C 4 57.700 57.665 0.035 1
1 18 . 11 1 1 A 4 4 PHE CB C 4 39.400 40.169 -0.769 1
1 21 . 11 1 1 A 4 4 PHE N N 4 122.400 120.313 2.087 1
1 22 . 11 1 1 A 5 5 ASP H H 5 8.500 9.273 -0.773 1
1 23 . 11 1 1 A 5 5 ASP HA H 5 4.600 4.199 0.401 1
1 26 . 11 1 1 A 5 5 ASP CA C 5 53.900 54.773 -0.873 1
1 27 . 11 1 1 A 5 5 ASP CB C 5 40.700 39.342 1.358 1
1 28 . 11 1 1 A 5 5 ASP N N 5 121.800 121.882 -0.082 1
1 29 . 11 1 1 A 6 6 HIS H H 6 8.240 7.742 0.498 1
1 30 . 11 1 1 A 6 6 HIS HA H 6 4.780 4.431 0.349 1
1 34 . 11 1 1 A 6 6 HIS CA C 6 55.300 56.059 -0.759 1
1 35 . 11 1 1 A 6 6 HIS CB C 6 31.500 29.776 1.724 1
1 37 . 11 1 1 A 6 6 HIS N N 6 120.400 114.715 5.685 1
1 38 . 11 1 1 A 7 7 GLY H H 7 8.660 8.509 0.151 1
1 39 . 11 1 1 A 7 7 GLY HA2 H 7 4.500 3.846 0.654 1
1 40 . 11 1 1 A 7 7 GLY HA3 H 7 3.580 3.871 -0.291 1
1 41 . 11 1 1 A 7 7 GLY CA C 7 44.200 45.063 -0.863 1
1 42 . 11 1 1 A 7 7 GLY N N 7 109.200 108.961 0.239 1
1 43 . 11 1 1 A 8 8 ASN H H 8 8.040 8.494 -0.454 1
1 44 . 11 1 1 A 8 8 ASN HA H 8 5.500 5.718 -0.218 1
1 49 . 11 1 1 A 8 8 ASN CA C 8 52.600 51.852 0.748 1
1 50 . 11 1 1 A 8 8 ASN CB C 8 42.700 41.809 0.891 1
1 51 . 11 1 1 A 8 8 ASN N N 8 115.100 119.733 -4.633 1
1 53 . 11 1 1 A 9 9 LEU H H 9 8.850 8.633 0.217 1
1 54 . 11 1 1 A 9 9 LEU HA H 9 4.530 4.756 -0.226 1
1 64 . 11 1 1 A 9 9 LEU CA C 9 54.700 54.379 0.321 1
1 65 . 11 1 1 A 9 9 LEU CB C 9 47.000 45.843 1.157 1
1 69 . 11 1 1 A 9 9 LEU N N 9 123.500 123.691 -0.191 1
1 70 . 11 1 1 A 10 10 SER H H 10 8.850 9.149 -0.299 1
1 71 . 11 1 1 A 10 10 SER HA H 10 5.030 4.590 0.440 1
1 74 . 11 1 1 A 10 10 SER CA C 10 57.000 58.547 -1.547 1
1 75 . 11 1 1 A 10 10 SER CB C 10 63.900 63.304 0.596 1
1 76 . 11 1 1 A 10 10 SER N N 10 121.800 123.737 -1.937 1
1 77 . 11 1 1 A 11 11 LEU H H 11 8.820 8.594 0.226 1
1 78 . 11 1 1 A 11 11 LEU HA H 11 4.460 4.324 0.136 1
1 88 . 11 1 1 A 11 11 LEU CA C 11 54.400 56.144 -1.744 1
1 89 . 11 1 1 A 11 11 LEU CB C 11 41.900 43.096 -1.196 1
1 93 . 11 1 1 A 11 11 LEU N N 11 127.300 127.428 -0.128 1
1 94 . 11 1 1 A 12 12 GLY H H 12 8.140 7.843 0.297 1
1 95 . 11 1 1 A 12 12 GLY HA2 H 12 3.720 4.176 -0.456 1
1 96 . 11 1 1 A 12 12 GLY HA3 H 12 4.080 4.191 -0.111 1
1 97 . 11 1 1 A 12 12 GLY CA C 12 44.700 44.817 -0.117 1
1 98 . 11 1 1 A 12 12 GLY N N 12 108.000 106.348 1.652 1
1 99 . 11 1 1 A 13 13 GLU H H 13 8.210 8.450 -0.240 1
1 100 . 11 1 1 A 13 13 GLU HA H 13 4.560 5.082 -0.522 1
1 105 . 11 1 1 A 13 13 GLU CA C 13 55.700 56.051 -0.351 1
1 106 . 11 1 1 A 13 13 GLU CB C 13 30.300 30.212 0.088 1
1 108 . 11 1 1 A 13 13 GLU N N 13 119.000 121.551 -2.551 1
1 109 . 11 1 1 A 14 14 LEU H H 14 9.360 9.248 0.112 1
1 110 . 11 1 1 A 14 14 LEU HA H 14 4.720 4.900 -0.180 1
1 120 . 11 1 1 A 14 14 LEU CA C 14 53.400 53.744 -0.344 1
1 121 . 11 1 1 A 14 14 LEU CB C 14 44.200 43.687 0.513 1
1 125 . 11 1 1 A 14 14 LEU N N 14 126.700 127.229 -0.529 1
1 126 . 11 1 1 A 15 15 GLU H H 15 8.680 8.556 0.124 1
1 127 . 11 1 1 A 15 15 GLU HA H 15 4.240 4.600 -0.360 1
1 132 . 11 1 1 A 15 15 GLU CA C 15 56.900 56.550 0.350 1
1 133 . 11 1 1 A 15 15 GLU CB C 15 29.900 30.103 -0.203 1
1 135 . 11 1 1 A 15 15 GLU N N 15 120.600 122.745 -2.145 1
1 136 . 11 1 1 A 16 16 LEU H H 16 7.740 9.071 -1.331 1
1 137 . 11 1 1 A 16 16 LEU HA H 16 4.360 5.066 -0.706 1
1 147 . 11 1 1 A 16 16 LEU CA C 16 54.000 54.213 -0.213 1
1 148 . 11 1 1 A 16 16 LEU CB C 16 43.300 43.037 0.263 1
1 152 . 11 1 1 A 16 16 LEU N N 16 125.200 127.968 -2.768 1
1 153 . 11 1 1 A 17 17 THR H H 17 8.500 9.371 -0.871 1
1 154 . 11 1 1 A 17 17 THR HA H 17 4.420 4.878 -0.458 1
1 159 . 11 1 1 A 17 17 THR CA C 17 63.100 62.242 0.858 1
1 160 . 11 1 1 A 17 17 THR CB C 17 69.600 69.987 -0.387 1
1 162 . 11 1 1 A 17 17 THR N N 17 127.300 124.732 2.568 1
1 163 . 11 1 1 A 18 18 VAL H H 18 8.840 9.160 -0.320 1
1 164 . 11 1 1 A 18 18 VAL HA H 18 4.490 4.832 -0.342 1
1 172 . 11 1 1 A 18 18 VAL CA C 18 61.100 61.167 -0.067 1
1 173 . 11 1 1 A 18 18 VAL CB C 18 33.300 33.465 -0.165 1
1 176 . 11 1 1 A 18 18 VAL N N 18 127.000 127.570 -0.570 1
1 177 . 11 1 1 A 19 19 LEU H H 19 8.830 9.311 -0.481 1
1 178 . 11 1 1 A 19 19 LEU HA H 19 4.920 5.081 -0.161 1
1 188 . 11 1 1 A 19 19 LEU CA C 19 53.400 53.788 -0.388 1
1 189 . 11 1 1 A 19 19 LEU CB C 19 41.200 41.839 -0.639 1
1 193 . 11 1 1 A 19 19 LEU N N 19 128.500 129.017 -0.517 1
1 194 . 11 1 1 A 20 20 TYR H H 20 8.470 9.003 -0.533 1
1 195 . 11 1 1 A 20 20 TYR HA H 20 4.280 5.440 -1.160 1
1 202 . 11 1 1 A 20 20 TYR CA C 20 55.600 55.185 0.415 1
1 203 . 11 1 1 A 20 20 TYR CB C 20 38.200 41.507 -3.307 1
1 206 . 11 1 1 A 20 20 TYR N N 20 120.300 121.535 -1.235 1
1 207 . 11 1 1 A 21 21 ASP H H 21 8.920 8.935 -0.015 1
1 208 . 11 1 1 A 21 21 ASP HA H 21 4.640 4.519 0.121 1
1 211 . 11 1 1 A 21 21 ASP CA C 21 53.000 52.936 0.064 1
1 212 . 11 1 1 A 21 21 ASP CB C 21 39.300 40.157 -0.857 1
1 213 . 11 1 1 A 21 21 ASP N N 21 118.600 122.126 -3.526 1
1 214 . 11 1 1 A 22 22 GLU H H 22 7.930 8.605 -0.675 1
1 215 . 11 1 1 A 22 22 GLU HA H 22 4.250 4.245 0.005 1
1 220 . 11 1 1 A 22 22 GLU CA C 22 57.000 58.268 -1.268 1
1 221 . 11 1 1 A 22 22 GLU CB C 22 29.000 28.584 0.416 1
1 223 . 11 1 1 A 22 22 GLU N N 22 126.600 126.174 0.426 1
1 224 . 11 1 1 A 23 23 GLU H H 23 8.060 7.710 0.350 1
1 225 . 11 1 1 A 23 23 GLU HA H 23 4.130 4.142 -0.012 1
1 230 . 11 1 1 A 23 23 GLU CA C 23 57.800 57.688 0.112 1
1 231 . 11 1 1 A 23 23 GLU CB C 23 29.500 29.775 -0.275 1
1 233 . 11 1 1 A 23 23 GLU N N 23 117.800 118.835 -1.035 1
1 234 . 11 1 1 A 24 24 ARG H H 24 7.070 8.177 -1.107 1
1 235 . 11 1 1 A 24 24 ARG HA H 24 4.170 4.308 -0.138 1
1 243 . 11 1 1 A 24 24 ARG CA C 24 56.500 57.376 -0.876 1
1 244 . 11 1 1 A 24 24 ARG CB C 24 33.500 32.547 0.953 1
1 247 . 11 1 1 A 24 24 ARG N N 24 116.700 119.787 -3.087 1
1 249 . 11 1 1 A 25 25 TYR H H 25 8.150 7.724 0.426 1
1 250 . 11 1 1 A 25 25 TYR HA H 25 5.470 5.175 0.295 1
1 257 . 11 1 1 A 25 25 TYR CA C 25 56.900 56.747 0.153 1
1 258 . 11 1 1 A 25 25 TYR CB C 25 43.100 43.141 -0.041 1
1 261 . 11 1 1 A 25 25 TYR N N 25 116.800 115.034 1.766 1
1 262 . 11 1 1 A 26 26 ASP H H 26 9.120 8.502 0.618 1
1 263 . 11 1 1 A 26 26 ASP HA H 26 5.250 5.209 0.041 1
1 266 . 11 1 1 A 26 26 ASP CA C 26 52.400 52.741 -0.341 1
1 267 . 11 1 1 A 26 26 ASP CB C 26 44.500 45.027 -0.527 1
1 268 . 11 1 1 A 26 26 ASP N N 26 116.900 120.059 -3.159 1
1 269 . 11 1 1 A 27 27 ILE H H 27 8.640 8.537 0.103 1
1 270 . 11 1 1 A 27 27 ILE HA H 27 4.100 3.896 0.204 1
1 280 . 11 1 1 A 27 27 ILE CA C 27 61.400 61.681 -0.281 1
1 281 . 11 1 1 A 27 27 ILE CB C 27 38.600 36.948 1.652 1
1 285 . 11 1 1 A 27 27 ILE N N 27 121.200 124.783 -3.583 1
1 286 . 11 1 1 A 28 28 VAL H H 28 8.840 9.199 -0.359 1
1 287 . 11 1 1 A 28 28 VAL HA H 28 3.930 4.039 -0.109 1
1 295 . 11 1 1 A 28 28 VAL CA C 28 63.800 63.790 0.010 1
1 296 . 11 1 1 A 28 28 VAL CB C 28 32.900 32.563 0.337 1
1 299 . 11 1 1 A 28 28 VAL N N 28 128.700 128.413 0.287 1
1 300 . 11 1 1 A 29 29 GLU H H 29 7.180 7.320 -0.140 1
1 301 . 11 1 1 A 29 29 GLU HA H 29 4.490 4.756 -0.266 1
1 306 . 11 1 1 A 29 29 GLU CA C 29 55.200 54.848 0.352 1
1 307 . 11 1 1 A 29 29 GLU CB C 29 32.900 34.256 -1.356 1
1 309 . 11 1 1 A 29 29 GLU N N 29 116.000 119.028 -3.028 1
1 310 . 11 1 1 A 30 30 GLN H H 30 8.760 8.733 0.027 1
1 311 . 11 1 1 A 30 30 GLN HA H 30 5.450 5.198 0.252 1
1 314 . 11 1 1 A 30 30 GLN CA C 30 54.200 54.600 -0.400 1
1 315 . 11 1 1 A 30 30 GLN CB C 30 33.100 31.574 1.526 1
1 316 . 11 1 1 A 30 30 GLN N N 30 117.200 118.620 -1.420 1
1 317 . 11 1 1 A 31 31 THR H H 31 8.200 8.854 -0.654 1
1 318 . 11 1 1 A 31 31 THR HA H 31 4.160 4.252 -0.092 1
1 323 . 11 1 1 A 31 31 THR CA C 31 64.500 63.903 0.597 1
1 324 . 11 1 1 A 31 31 THR CB C 31 70.300 68.526 1.774 1
1 326 . 11 1 1 A 31 31 THR N N 31 119.400 117.268 2.132 1
1 327 . 11 1 1 A 32 32 GLU H H 32 9.230 8.997 0.233 1
1 328 . 11 1 1 A 32 32 GLU HA H 32 4.170 4.374 -0.204 1
1 333 . 11 1 1 A 32 32 GLU CA C 32 60.000 58.819 1.181 1
1 334 . 11 1 1 A 32 32 GLU CB C 32 31.000 30.975 0.025 1
1 336 . 11 1 1 A 32 32 GLU N N 32 129.600 127.652 1.948 1
1 337 . 11 1 1 A 33 33 THR H H 33 7.510 8.314 -0.804 1
1 338 . 11 1 1 A 33 33 THR HA H 33 5.320 5.291 0.029 1
1 343 . 11 1 1 A 33 33 THR CA C 33 58.500 60.191 -1.691 1
1 344 . 11 1 1 A 33 33 THR CB C 33 73.100 71.993 1.107 1
1 346 . 11 1 1 A 33 33 THR N N 33 107.500 110.362 -2.862 1
1 347 . 11 1 1 A 34 34 VAL H H 34 8.700 8.669 0.031 1
1 348 . 11 1 1 A 34 34 VAL HA H 34 4.670 4.995 -0.325 1
1 356 . 11 1 1 A 34 34 VAL CA C 34 59.200 59.386 -0.186 1
1 357 . 11 1 1 A 34 34 VAL CB C 34 35.200 35.613 -0.413 1
1 360 . 11 1 1 A 34 34 VAL N N 34 112.000 121.094 -9.094 1
1 361 . 11 1 1 A 35 35 GLN H H 35 8.930 8.861 0.069 1
1 362 . 11 1 1 A 35 35 GLN HA H 35 4.790 5.212 -0.422 1
1 369 . 11 1 1 A 35 35 GLN CA C 35 54.800 55.074 -0.274 1
1 370 . 11 1 1 A 35 35 GLN CB C 35 29.900 30.515 -0.615 1
1 372 . 11 1 1 A 35 35 GLN N N 35 123.200 124.407 -1.207 1
1 374 . 11 1 1 A 36 36 VAL H H 36 7.940 8.690 -0.750 1
1 375 . 11 1 1 A 36 36 VAL HA H 36 4.850 4.887 -0.037 1
1 383 . 11 1 1 A 36 36 VAL CA C 36 61.300 60.916 0.384 1
1 384 . 11 1 1 A 36 36 VAL CB C 36 34.200 34.312 -0.112 1
1 387 . 11 1 1 A 36 36 VAL N N 36 124.300 127.067 -2.767 1
1 388 . 11 1 1 A 37 37 ASP H H 37 8.670 9.295 -0.625 1
1 389 . 11 1 1 A 37 37 ASP HA H 37 5.240 5.326 -0.086 1
1 392 . 11 1 1 A 37 37 ASP CA C 37 53.000 52.675 0.325 1
1 393 . 11 1 1 A 37 37 ASP CB C 37 44.700 44.843 -0.143 1
1 394 . 11 1 1 A 37 37 ASP N N 37 126.900 127.850 -0.950 1
1 395 . 11 1 1 A 38 38 LEU H H 38 8.850 8.878 -0.028 1
1 396 . 11 1 1 A 38 38 LEU HA H 38 5.160 5.035 0.125 1
1 406 . 11 1 1 A 38 38 LEU CA C 38 52.400 53.262 -0.862 1
1 407 . 11 1 1 A 38 38 LEU CB C 38 46.100 44.425 1.675 1
1 411 . 11 1 1 A 38 38 LEU N N 38 119.100 125.832 -6.732 1
1 412 . 11 1 1 A 39 39 GLU H H 39 8.380 8.927 -0.547 1
1 413 . 11 1 1 A 39 39 GLU HA H 39 5.210 5.486 -0.276 1
1 418 . 11 1 1 A 39 39 GLU CA C 39 54.600 54.729 -0.129 1
1 419 . 11 1 1 A 39 39 GLU CB C 39 33.900 33.268 0.632 1
1 421 . 11 1 1 A 39 39 GLU N N 39 120.800 121.249 -0.449 1
1 422 . 11 1 1 A 40 40 GLY H H 40 8.110 8.031 0.079 1
1 423 . 11 1 1 A 40 40 GLY HA2 H 40 4.230 4.153 0.077 1
1 424 . 11 1 1 A 40 40 GLY HA3 H 40 3.730 4.174 -0.444 1
1 425 . 11 1 1 A 40 40 GLY CA C 40 45.000 44.455 0.545 1
1 426 . 11 1 1 A 40 40 GLY N N 40 110.000 108.527 1.473 1
1 427 . 11 1 1 A 41 41 PRO HA H 41 4.380 4.538 -0.158 1
1 434 . 11 1 1 A 41 41 PRO CA C 41 62.200 63.074 -0.874 1
1 435 . 11 1 1 A 41 41 PRO CB C 41 32.400 31.917 0.483 1
1 438 . 11 1 1 A 42 42 ARG H H 42 9.020 8.508 0.512 1
1 439 . 11 1 1 A 42 42 ARG HA H 42 3.790 3.983 -0.193 1
1 446 . 11 1 1 A 42 42 ARG CA C 42 60.400 58.914 1.486 1
1 447 . 11 1 1 A 42 42 ARG CB C 42 29.900 29.829 0.071 1
1 450 . 11 1 1 A 42 42 ARG N N 42 125.500 123.549 1.951 1
1 451 . 11 1 1 A 43 43 GLY H H 43 9.310 8.429 0.881 1
1 452 . 11 1 1 A 43 43 GLY HA2 H 43 3.890 3.709 0.181 1
1 453 . 11 1 1 A 43 43 GLY HA3 H 43 3.890 3.712 0.178 1
1 454 . 11 1 1 A 43 43 GLY CA C 43 47.000 47.947 -0.947 1
1 455 . 11 1 1 A 43 43 GLY N N 43 107.200 108.946 -1.746 1
1 456 . 11 1 1 A 44 44 VAL H H 44 6.930 7.668 -0.738 1
1 457 . 11 1 1 A 44 44 VAL HA H 44 3.800 3.787 0.013 1
1 465 . 11 1 1 A 44 44 VAL CA C 44 65.100 65.979 -0.879 1
1 466 . 11 1 1 A 44 44 VAL CB C 44 32.000 31.910 0.090 1
1 469 . 11 1 1 A 44 44 VAL N N 44 121.100 122.307 -1.207 1
1 470 . 11 1 1 A 45 45 LEU H H 45 7.830 7.632 0.198 1
1 471 . 11 1 1 A 45 45 LEU HA H 45 3.890 4.048 -0.158 1
1 481 . 11 1 1 A 45 45 LEU CA C 45 58.100 57.844 0.256 1
1 482 . 11 1 1 A 45 45 LEU CB C 45 41.800 41.248 0.552 1
1 486 . 11 1 1 A 45 45 LEU N N 45 120.700 119.735 0.965 1
1 487 . 11 1 1 A 46 46 THR H H 46 8.340 7.812 0.528 1
1 488 . 11 1 1 A 46 46 THR HA H 46 3.850 3.772 0.078 1
1 493 . 11 1 1 A 46 46 THR CA C 46 66.800 66.725 0.075 1
1 494 . 11 1 1 A 46 46 THR CB C 46 68.800 67.911 0.889 1
1 496 . 11 1 1 A 46 46 THR N N 46 114.900 115.709 -0.809 1
1 497 . 11 1 1 A 47 47 VAL H H 47 7.210 7.794 -0.584 1
1 498 . 11 1 1 A 47 47 VAL HA H 47 3.820 3.871 -0.051 1
1 506 . 11 1 1 A 47 47 VAL CA C 47 65.600 66.595 -0.995 1
1 507 . 11 1 1 A 47 47 VAL CB C 47 31.900 31.649 0.251 1
1 510 . 11 1 1 A 47 47 VAL N N 47 119.600 121.180 -1.580 1
1 511 . 11 1 1 A 48 48 PHE H H 48 8.140 8.575 -0.435 1
1 512 . 11 1 1 A 48 48 PHE HA H 48 4.210 4.116 0.094 1
1 520 . 11 1 1 A 48 48 PHE CA C 48 61.100 60.722 0.378 1
1 521 . 11 1 1 A 48 48 PHE CB C 48 39.200 39.202 -0.002 1
1 525 . 11 1 1 A 48 48 PHE N N 48 120.600 120.573 0.027 1
1 526 . 11 1 1 A 49 49 ARG H H 49 8.150 8.010 0.140 1
1 527 . 11 1 1 A 49 49 ARG HA H 49 3.710 4.033 -0.323 1
1 534 . 11 1 1 A 49 49 ARG CA C 49 58.500 59.368 -0.868 1
1 535 . 11 1 1 A 49 49 ARG CB C 49 30.000 29.889 0.111 1
1 538 . 11 1 1 A 49 49 ARG N N 49 117.500 117.879 -0.379 1
1 539 . 11 1 1 A 50 50 PHE H H 50 7.270 7.339 -0.069 1
1 540 . 11 1 1 A 50 50 PHE HA H 50 4.620 4.260 0.360 1
1 548 . 11 1 1 A 50 50 PHE CA C 50 57.700 60.377 -2.677 1
1 549 . 11 1 1 A 50 50 PHE CB C 50 39.600 39.021 0.579 1
1 553 . 11 1 1 A 50 50 PHE N N 50 115.500 116.837 -1.337 1
1 554 . 11 1 1 A 51 51 ALA H H 51 7.620 7.284 0.336 1
1 555 . 11 1 1 A 51 51 ALA HA H 51 4.320 4.305 0.015 1
1 559 . 11 1 1 A 51 51 ALA CA C 51 51.700 52.919 -1.219 1
1 560 . 11 1 1 A 51 51 ALA CB C 51 19.300 19.338 -0.038 1
1 561 . 11 1 1 A 51 51 ALA N N 51 124.200 121.724 2.476 1
1 562 . 11 1 1 A 52 52 ARG H H 52 8.570 8.380 0.190 1
1 563 . 11 1 1 A 52 52 ARG HA H 52 4.270 4.459 -0.189 1
1 570 . 11 1 1 A 52 52 ARG CA C 52 54.700 54.196 0.504 1
1 571 . 11 1 1 A 52 52 ARG CB C 52 29.300 30.713 -1.413 1
1 574 . 11 1 1 A 52 52 ARG N N 52 123.500 124.177 -0.677 1
1 575 . 11 1 1 A 53 53 PRO HA H 53 4.240 3.699 0.541 1
1 582 . 11 1 1 A 53 53 PRO CA C 53 63.600 62.974 0.626 1
1 583 . 11 1 1 A 53 53 PRO CB C 53 31.600 31.762 -0.162 1
1 586 . 11 1 1 A 54 54 SER H H 54 8.100 7.970 0.130 1
1 587 . 11 1 1 A 54 54 SER HA H 54 4.390 4.664 -0.274 1
1 590 . 11 1 1 A 54 54 SER CA C 54 57.200 57.694 -0.494 1
1 591 . 11 1 1 A 54 54 SER CB C 54 63.100 64.901 -1.801 1
1 592 . 11 1 1 A 54 54 SER N N 54 117.200 112.350 4.850 1
1 593 . 11 1 1 A 55 55 TYR H H 55 6.640 6.771 -0.131 1
1 594 . 11 1 1 A 55 55 TYR HA H 55 5.030 5.112 -0.082 1
1 601 . 11 1 1 A 55 55 TYR CA C 55 53.900 56.214 -2.314 1
1 602 . 11 1 1 A 55 55 TYR CB C 55 39.200 40.586 -1.386 1
1 605 . 11 1 1 A 55 55 TYR N N 55 119.200 119.310 -0.110 1
1 606 . 11 1 1 A 56 56 GLU H H 56 8.890 8.989 -0.099 1
1 607 . 11 1 1 A 56 56 GLU HA H 56 4.740 5.204 -0.464 1
1 612 . 11 1 1 A 56 56 GLU CA C 56 55.700 55.107 0.593 1
1 613 . 11 1 1 A 56 56 GLU CB C 56 35.000 34.499 0.501 1
1 615 . 11 1 1 A 56 56 GLU N N 56 118.800 121.365 -2.565 1
1 616 . 11 1 1 A 57 57 VAL H H 57 8.830 8.715 0.115 1
1 617 . 11 1 1 A 57 57 VAL HA H 57 5.370 4.902 0.468 1
1 625 . 11 1 1 A 57 57 VAL CA C 57 59.900 61.461 -1.561 1
1 626 . 11 1 1 A 57 57 VAL CB C 57 33.300 33.220 0.080 1
1 629 . 11 1 1 A 57 57 VAL N N 57 117.800 121.964 -4.164 1
1 630 . 11 1 1 A 58 58 PHE H H 58 8.870 8.532 0.338 1
1 631 . 11 1 1 A 58 58 PHE HA H 58 6.090 5.791 0.299 1
1 634 . 11 1 1 A 58 58 PHE CA C 58 55.600 55.925 -0.325 1
1 635 . 11 1 1 A 58 58 PHE CB C 58 42.700 42.034 0.666 1
1 636 . 11 1 1 A 58 58 PHE N N 58 120.600 123.235 -2.635 1
1 637 . 11 1 1 A 59 59 VAL H H 59 8.270 8.930 -0.660 1
1 638 . 11 1 1 A 59 59 VAL HA H 59 4.730 4.769 -0.039 1
1 646 . 11 1 1 A 59 59 VAL CA C 59 58.500 59.755 -1.255 1
1 647 . 11 1 1 A 59 59 VAL CB C 59 34.800 35.372 -0.572 1
1 650 . 11 1 1 A 59 59 VAL N N 59 108.700 116.948 -8.248 1
1 651 . 11 1 1 A 60 60 ASP H H 60 9.360 9.058 0.302 1
1 652 . 11 1 1 A 60 60 ASP HA H 60 5.080 4.874 0.206 1
1 655 . 11 1 1 A 60 60 ASP CA C 60 52.700 53.936 -1.236 1
1 656 . 11 1 1 A 60 60 ASP CB C 60 41.100 41.250 -0.150 1
1 657 . 11 1 1 A 60 60 ASP N N 60 123.000 125.580 -2.580 1
1 658 . 11 1 1 A 61 61 LEU H H 61 9.230 9.150 0.080 1
1 659 . 11 1 1 A 61 61 LEU HA H 61 4.670 4.808 -0.138 1
1 669 . 11 1 1 A 61 61 LEU CA C 61 53.300 54.229 -0.929 1
1 670 . 11 1 1 A 61 61 LEU CB C 61 40.900 43.182 -2.282 1
1 674 . 11 1 1 A 61 61 LEU N N 61 128.600 127.886 0.714 1
1 675 . 11 1 1 A 62 62 THR H H 62 8.720 8.086 0.634 1
1 676 . 11 1 1 A 62 62 THR HA H 62 3.590 4.153 -0.563 1
1 681 . 11 1 1 A 62 62 THR CA C 62 67.000 65.195 1.805 1
1 682 . 11 1 1 A 62 62 THR CB C 62 69.100 68.812 0.288 1
1 684 . 11 1 1 A 62 62 THR N N 62 115.800 114.267 1.533 1
1 685 . 11 1 1 A 63 63 GLU H H 63 8.490 7.730 0.760 1
1 686 . 11 1 1 A 63 63 GLU HA H 63 4.530 4.494 0.036 1
1 691 . 11 1 1 A 63 63 GLU CA C 63 55.100 56.094 -0.994 1
1 692 . 11 1 1 A 63 63 GLU CB C 63 29.200 30.472 -1.272 1
1 694 . 11 1 1 A 63 63 GLU N N 63 118.800 120.236 -1.436 1
1 695 . 11 1 1 A 64 64 ALA H H 64 7.100 7.533 -0.433 1
1 696 . 11 1 1 A 64 64 ALA HA H 64 4.130 4.569 -0.439 1
1 700 . 11 1 1 A 64 64 ALA CA C 64 51.500 51.483 0.017 1
1 701 . 11 1 1 A 64 64 ALA CB C 64 20.900 21.629 -0.729 1
1 702 . 11 1 1 A 64 64 ALA N N 64 123.700 122.932 0.768 1
1 703 . 11 1 1 A 65 65 GLY H H 65 7.800 8.295 -0.495 1
1 704 . 11 1 1 A 65 65 GLY HA2 H 65 4.180 3.952 0.228 1
1 705 . 11 1 1 A 65 65 GLY HA3 H 65 3.540 4.144 -0.604 1
1 706 . 11 1 1 A 65 65 GLY CA C 65 42.600 46.082 -3.482 1
1 707 . 11 1 1 A 65 65 GLY N N 65 106.800 105.488 1.312 1
1 708 . 11 1 1 A 66 66 GLU H H 66 8.490 8.506 -0.016 1
1 709 . 11 1 1 A 66 66 GLU HA H 66 3.750 3.974 -0.224 1
1 714 . 11 1 1 A 66 66 GLU CA C 66 57.400 58.237 -0.837 1
1 715 . 11 1 1 A 66 66 GLU CB C 66 30.300 29.631 0.669 1
1 717 . 11 1 1 A 66 66 GLU N N 66 119.900 123.006 -3.106 1
1 718 . 11 1 1 A 67 67 GLY H H 67 8.470 8.557 -0.087 1
1 719 . 11 1 1 A 67 67 GLY HA2 H 67 3.770 4.009 -0.239 1
1 720 . 11 1 1 A 67 67 GLY HA3 H 67 4.390 4.011 0.379 1
1 721 . 11 1 1 A 67 67 GLY CA C 67 43.400 44.672 -1.272 1
1 722 . 11 1 1 A 67 67 GLY N N 67 110.800 111.188 -0.388 1
1 723 . 11 1 1 A 68 68 SER H H 68 8.250 8.395 -0.145 1
1 724 . 11 1 1 A 68 68 SER HA H 68 4.610 5.047 -0.437 1
1 727 . 11 1 1 A 68 68 SER CA C 68 57.700 58.252 -0.552 1
1 728 . 11 1 1 A 68 68 SER CB C 68 63.300 63.847 -0.547 1
1 729 . 11 1 1 A 68 68 SER N N 68 114.500 116.416 -1.916 1
1 730 . 11 1 1 A 69 69 HIS H H 69 8.780 8.897 -0.117 1
1 731 . 11 1 1 A 69 69 HIS HA H 69 4.790 5.019 -0.229 1
1 734 . 11 1 1 A 69 69 HIS CA C 69 55.300 54.755 0.545 1
1 735 . 11 1 1 A 69 69 HIS CB C 69 33.900 33.421 0.479 1
1 736 . 11 1 1 A 69 69 HIS N N 69 125.400 124.632 0.768 1
1 737 . 11 1 1 A 70 70 THR H H 70 8.870 8.895 -0.025 1
1 738 . 11 1 1 A 70 70 THR HA H 70 5.380 5.169 0.211 1
1 743 . 11 1 1 A 70 70 THR CA C 70 61.600 62.013 -0.413 1
1 744 . 11 1 1 A 70 70 THR CB C 70 69.400 69.800 -0.400 1
1 746 . 11 1 1 A 70 70 THR N N 70 121.200 118.053 3.147 1
1 747 . 11 1 1 A 71 71 VAL H H 71 8.860 9.046 -0.186 1
1 748 . 11 1 1 A 71 71 VAL HA H 71 4.730 4.925 -0.195 1
1 756 . 11 1 1 A 71 71 VAL CA C 71 58.900 58.615 0.285 1
1 757 . 11 1 1 A 71 71 VAL CB C 71 36.000 35.277 0.723 1
1 760 . 11 1 1 A 71 71 VAL N N 71 122.100 120.934 1.166 1
1 761 . 11 1 1 A 72 72 ASP H H 72 8.610 8.568 0.042 1
1 762 . 11 1 1 A 72 72 ASP HA H 72 4.660 4.806 -0.146 1
1 765 . 11 1 1 A 72 72 ASP CA C 72 55.500 54.278 1.222 1
1 766 . 11 1 1 A 72 72 ASP CB C 72 40.800 41.701 -0.901 1
1 767 . 11 1 1 A 72 72 ASP N N 72 124.300 123.373 0.927 1
1 768 . 11 1 1 A 73 73 VAL H H 73 8.090 8.823 -0.733 1
1 769 . 11 1 1 A 73 73 VAL HA H 73 3.770 4.056 -0.286 1
1 777 . 11 1 1 A 73 73 VAL CA C 73 63.600 62.396 1.204 1
1 778 . 11 1 1 A 73 73 VAL CB C 73 31.600 32.386 -0.786 1
1 781 . 11 1 1 A 73 73 VAL N N 73 121.400 125.522 -4.122 1
1 782 . 11 1 1 A 74 74 GLU H H 74 8.900 8.672 0.228 1
1 783 . 11 1 1 A 74 74 GLU HA H 74 4.370 4.399 -0.029 1
1 788 . 11 1 1 A 74 74 GLU CA C 74 54.700 55.495 -0.795 1
1 789 . 11 1 1 A 74 74 GLU CB C 74 33.300 31.329 1.971 1
1 791 . 11 1 1 A 74 74 GLU N N 74 129.600 127.487 2.113 1
1 792 . 11 1 1 A 75 75 HIS H H 75 7.940 8.284 -0.344 1
1 793 . 11 1 1 A 75 75 HIS HA H 75 5.830 5.671 0.159 1
1 796 . 11 1 1 A 75 75 HIS CA C 75 54.100 53.273 0.827 1
1 797 . 11 1 1 A 75 75 HIS CB C 75 39.500 33.154 6.346 1
1 798 . 11 1 1 A 75 75 HIS N N 75 112.800 118.252 -5.452 1
1 799 . 11 1 1 A 76 76 ARG H H 76 9.210 8.160 1.050 1
1 800 . 11 1 1 A 76 76 ARG HA H 76 5.170 4.571 0.599 1
1 805 . 11 1 1 A 76 76 ARG CA C 76 55.300 55.542 -0.242 1
1 806 . 11 1 1 A 76 76 ARG CB C 76 33.400 33.794 -0.394 1
1 808 . 11 1 1 A 76 76 ARG N N 76 117.100 121.051 -3.951 1
1 809 . 11 1 1 A 77 77 GLY H H 77 8.740 8.232 0.508 1
1 810 . 11 1 1 A 77 77 GLY HA2 H 77 4.410 4.087 0.323 1
1 811 . 11 1 1 A 77 77 GLY HA3 H 77 3.670 4.137 -0.467 1
1 812 . 11 1 1 A 77 77 GLY CA C 77 45.400 45.564 -0.164 1
1 813 . 11 1 1 A 77 77 GLY N N 77 107.400 113.089 -5.689 1
1 814 . 11 1 1 A 78 78 PHE H H 78 7.920 7.641 0.279 1
1 815 . 11 1 1 A 78 78 PHE HA H 78 4.450 4.825 -0.375 1
1 823 . 11 1 1 A 78 78 PHE CA C 78 54.200 55.617 -1.417 1
1 824 . 11 1 1 A 78 78 PHE CB C 78 41.000 39.081 1.919 1
1 828 . 11 1 1 A 78 78 PHE N N 78 120.200 119.977 0.223 1
1 829 . 11 1 1 A 79 79 PRO HA H 79 4.470 4.574 -0.104 1
1 836 . 11 1 1 A 79 79 PRO CA C 79 63.300 63.053 0.247 1
1 837 . 11 1 1 A 79 79 PRO CB C 79 32.200 32.322 -0.122 1
1 840 . 11 1 1 A 80 80 GLY H H 80 8.820 8.587 0.233 1
1 841 . 11 1 1 A 80 80 GLY HA2 H 80 4.020 3.932 0.088 1
1 842 . 11 1 1 A 80 80 GLY HA3 H 80 3.890 3.945 -0.055 1
1 843 . 11 1 1 A 80 80 GLY CA C 80 46.600 46.604 -0.004 1
1 844 . 11 1 1 A 80 80 GLY N N 80 110.100 108.821 1.279 1
1 845 . 11 1 1 A 81 81 ASP H H 81 8.360 8.565 -0.205 1
1 846 . 11 1 1 A 81 81 ASP HA H 81 4.560 4.859 -0.299 1
1 849 . 11 1 1 A 81 81 ASP CA C 81 53.800 54.101 -0.301 1
1 850 . 11 1 1 A 81 81 ASP CB C 81 40.300 43.056 -2.756 1
1 851 . 11 1 1 A 81 81 ASP N N 81 114.800 120.221 -5.421 1
1 852 . 11 1 1 A 82 82 LEU H H 82 7.400 6.851 0.549 1
1 853 . 11 1 1 A 82 82 LEU HA H 82 4.720 4.270 0.450 1
1 863 . 11 1 1 A 82 82 LEU CA C 82 52.800 54.436 -1.636 1
1 864 . 11 1 1 A 82 82 LEU CB C 82 42.900 42.212 0.688 1
1 868 . 11 1 1 A 82 82 LEU N N 82 115.500 122.073 -6.573 1
1 869 . 11 1 1 A 83 83 ALA H H 83 8.930 8.896 0.034 1
1 870 . 11 1 1 A 83 83 ALA HA H 83 4.530 4.578 -0.048 1
1 874 . 11 1 1 A 83 83 ALA CA C 83 50.900 51.160 -0.260 1
1 875 . 11 1 1 A 83 83 ALA CB C 83 19.600 19.289 0.311 1
1 876 . 11 1 1 A 83 83 ALA N N 83 124.900 124.186 0.714 1
1 877 . 11 1 1 A 84 84 VAL H H 84 8.570 8.808 -0.238 1
1 878 . 11 1 1 A 84 84 VAL HA H 84 3.930 4.442 -0.512 1
1 886 . 11 1 1 A 84 84 VAL CA C 84 61.300 61.512 -0.212 1
1 887 . 11 1 1 A 84 84 VAL CB C 84 32.800 32.250 0.550 1
1 890 . 11 1 1 A 84 84 VAL N N 84 126.800 124.119 2.681 1
1 891 . 11 1 1 A 85 85 THR H H 85 9.000 9.125 -0.125 1
1 892 . 11 1 1 A 85 85 THR HA H 85 4.440 5.104 -0.664 1
1 897 . 11 1 1 A 85 85 THR CA C 85 61.900 61.531 0.369 1
1 898 . 11 1 1 A 85 85 THR CB C 85 70.100 70.369 -0.269 1
1 900 . 11 1 1 A 85 85 THR N N 85 125.500 124.072 1.428 1
1 901 . 11 1 1 A 86 86 VAL H H 86 8.280 9.218 -0.938 1
1 902 . 11 1 1 A 86 86 VAL HA H 86 5.010 5.007 0.003 1
1 910 . 11 1 1 A 86 86 VAL CA C 86 59.300 60.147 -0.847 1
1 911 . 11 1 1 A 86 86 VAL CB C 86 33.700 35.459 -1.759 1
1 914 . 11 1 1 A 86 86 VAL N N 86 123.200 125.824 -2.624 1
1 915 . 11 1 1 A 87 87 GLU H H 87 8.560 8.942 -0.382 1
1 916 . 11 1 1 A 87 87 GLU HA H 87 4.720 4.823 -0.103 1
1 921 . 11 1 1 A 87 87 GLU CA C 87 52.400 53.338 -0.938 1
1 922 . 11 1 1 A 87 87 GLU CB C 87 33.600 30.508 3.092 1
1 924 . 11 1 1 A 87 87 GLU N N 87 124.400 125.186 -0.786 1
1 925 . 11 1 1 A 88 88 PRO HA H 88 4.770 4.453 0.317 1
1 932 . 11 1 1 A 88 88 PRO CA C 88 62.800 63.638 -0.838 1
1 933 . 11 1 1 A 88 88 PRO CB C 88 34.300 32.345 1.955 1
1 936 . 11 1 1 A 89 89 ARG H H 89 8.200 8.904 -0.704 1
1 937 . 11 1 1 A 89 89 ARG HA H 89 4.050 4.344 -0.294 1
1 945 . 11 1 1 A 89 89 ARG CA C 89 57.300 57.119 0.181 1
1 946 . 11 1 1 A 89 89 ARG CB C 89 30.700 30.852 -0.152 1
1 949 . 11 1 1 A 89 89 ARG N N 89 114.400 120.022 -5.622 1
1 951 . 11 1 1 A 90 90 MET H H 90 7.750 7.607 0.143 1
1 952 . 11 1 1 A 90 90 MET HA H 90 5.060 5.223 -0.163 1
1 960 . 11 1 1 A 90 90 MET CA C 90 53.700 53.992 -0.292 1
1 961 . 11 1 1 A 90 90 MET CB C 90 34.700 33.679 1.021 1
1 964 . 11 1 1 A 90 90 MET N N 90 115.900 118.986 -3.086 1
1 965 . 11 1 1 A 91 91 ALA H H 91 9.020 9.383 -0.363 1
1 966 . 11 1 1 A 91 91 ALA HA H 91 4.640 5.236 -0.596 1
1 970 . 11 1 1 A 91 91 ALA CA C 91 49.300 50.094 -0.794 1
1 971 . 11 1 1 A 91 91 ALA CB C 91 23.600 22.459 1.141 1
1 972 . 11 1 1 A 91 91 ALA N N 91 123.200 125.809 -2.609 1
1 973 . 11 1 1 A 92 92 ARG H H 92 8.370 8.383 -0.013 1
1 974 . 11 1 1 A 92 92 ARG HA H 92 5.480 5.501 -0.021 1
1 982 . 11 1 1 A 92 92 ARG CA C 92 54.000 54.847 -0.847 1
1 983 . 11 1 1 A 92 92 ARG CB C 92 32.600 32.725 -0.125 1
1 986 . 11 1 1 A 92 92 ARG N N 92 119.600 120.167 -0.567 1
1 988 . 11 1 1 A 93 93 VAL H H 93 8.920 9.008 -0.088 1
1 989 . 11 1 1 A 93 93 VAL HA H 93 4.510 5.004 -0.494 1
1 997 . 11 1 1 A 93 93 VAL CA C 93 61.000 59.747 1.253 1
1 998 . 11 1 1 A 93 93 VAL CB C 93 36.900 34.698 2.202 1
1 1001 . 11 1 1 A 93 93 VAL N N 93 124.100 121.531 2.569 1
1 1002 . 11 1 1 A 94 94 GLN H H 94 8.930 9.164 -0.234 1
1 1003 . 11 1 1 A 94 94 GLN HA H 94 5.400 4.951 0.449 1
1 1010 . 11 1 1 A 94 94 GLN CA C 94 53.500 54.108 -0.608 1
1 1011 . 11 1 1 A 94 94 GLN CB C 94 30.300 31.876 -1.576 1
1 1013 . 11 1 1 A 94 94 GLN N N 94 127.900 128.501 -0.601 1
1 1015 . 11 1 1 A 95 95 LEU H H 95 8.870 9.069 -0.199 1
1 1016 . 11 1 1 A 95 95 LEU HA H 95 5.390 5.074 0.316 1
1 1026 . 11 1 1 A 95 95 LEU CA C 95 53.000 53.345 -0.345 1
1 1027 . 11 1 1 A 95 95 LEU CB C 95 44.800 43.931 0.869 1
1 1031 . 11 1 1 A 95 95 LEU N N 95 126.400 127.740 -1.340 1
1 1032 . 11 1 1 A 96 96 GLU H H 96 9.300 8.546 0.754 1
1 1033 . 11 1 1 A 96 96 GLU HA H 96 5.000 4.812 0.188 1
1 1038 . 11 1 1 A 96 96 GLU CA C 96 54.300 54.279 0.021 1
1 1039 . 11 1 1 A 96 96 GLU CB C 96 33.800 33.312 0.488 1
1 1041 . 11 1 1 A 96 96 GLU N N 96 122.700 123.056 -0.356 1
1 1042 . 11 1 1 A 97 97 GLU H H 97 9.730 8.653 1.077 1
1 1043 . 11 1 1 A 97 97 GLU HA H 97 4.360 4.595 -0.235 1
1 1048 . 11 1 1 A 97 97 GLU CA C 97 57.600 55.712 1.888 1
1 1049 . 11 1 1 A 97 97 GLU CB C 97 30.000 28.510 1.490 1
1 1051 . 11 1 1 A 97 97 GLU N N 97 126.200 124.119 2.081 1
1 1052 . 11 1 1 A 98 98 ARG H H 98 8.300 8.203 0.097 1
1 1053 . 11 1 1 A 98 98 ARG HA H 98 4.180 4.410 -0.230 1
1 1061 . 11 1 1 A 98 98 ARG CA C 98 56.800 56.178 0.622 1
1 1062 . 11 1 1 A 98 98 ARG CB C 98 30.700 30.845 -0.145 1
1 1065 . 11 1 1 A 98 98 ARG N N 98 126.500 123.091 3.409 1
1 1067 . 11 1 1 A 99 99 GLN H H 99 8.810 8.519 0.291 1
1 1068 . 11 1 1 A 99 99 GLN HA H 99 4.370 4.543 -0.173 1
1 1075 . 11 1 1 A 99 99 GLN CA C 99 55.600 54.899 0.701 1
1 1076 . 11 1 1 A 99 99 GLN CB C 99 29.500 28.890 0.610 1
1 1078 . 11 1 1 A 99 99 GLN N N 99 123.700 122.740 0.960 1
1 1080 . 11 1 1 A 100 100 THR H H 100 8.340 8.101 0.239 1
1 1081 . 11 1 1 A 100 100 THR HA H 100 4.330 4.754 -0.424 1
1 1086 . 11 1 1 A 100 100 THR CA C 100 61.700 61.724 -0.024 1
1 1087 . 11 1 1 A 100 100 THR CB C 100 69.800 70.946 -1.146 1
1 1089 . 11 1 1 A 100 100 THR N N 100 116.700 120.327 -3.627 1
1 1090 . 11 1 1 A 101 101 VAL H H 101 8.290 8.211 0.079 1
1 1091 . 11 1 1 A 101 101 VAL HA H 101 4.170 4.054 0.116 1
1 1099 . 11 1 1 A 101 101 VAL CA C 101 61.900 62.413 -0.513 1
1 1100 . 11 1 1 A 101 101 VAL CB C 101 32.800 31.945 0.855 1
1 1103 . 11 1 1 A 101 101 VAL N N 101 122.900 123.707 -0.807 1
1 1104 . 11 1 1 A 102 102 SER H H 102 8.490 8.747 -0.257 1
1 1105 . 11 1 1 A 102 102 SER HA H 102 4.470 4.658 -0.188 1
1 1108 . 11 1 1 A 102 102 SER CA C 102 58.000 57.956 0.044 1
1 1109 . 11 1 1 A 102 102 SER CB C 102 63.600 61.483 2.117 1
1 1110 . 11 1 1 A 102 102 SER N N 102 120.700 123.633 -2.933 1
1 1111 . 11 1 1 A 103 103 VAL H H 103 8.240 7.979 0.261 1
1 1112 . 11 1 1 A 103 103 VAL HA H 103 4.420 4.843 -0.423 1
1 1120 . 11 1 1 A 103 103 VAL CA C 103 59.700 58.414 1.286 1
1 1121 . 11 1 1 A 103 103 VAL CB C 103 32.700 33.194 -0.494 1
1 1124 . 11 1 1 A 103 103 VAL N N 103 123.900 119.971 3.929 1
1 1125 . 11 1 1 A 104 104 PRO HA H 104 4.420 4.693 -0.273 1
1 1132 . 11 1 1 A 104 104 PRO CA C 104 63.000 62.417 0.583 1
1 1133 . 11 1 1 A 104 104 PRO CB C 104 32.000 30.870 1.130 1
1 1136 . 11 1 1 A 105 105 VAL H H 105 8.340 7.829 0.511 1
1 1137 . 11 1 1 A 105 105 VAL HA H 105 4.130 4.418 -0.288 1
1 1145 . 11 1 1 A 105 105 VAL CA C 105 62.200 60.989 1.211 1
1 1146 . 11 1 1 A 105 105 VAL CB C 105 32.600 32.031 0.569 1
1 1149 . 11 1 1 A 105 105 VAL N N 105 121.000 118.464 2.536 1
1 1150 . 11 1 1 A 106 106 THR H H 106 8.210 8.485 -0.275 1
1 1151 . 11 1 1 A 106 106 THR HA H 106 4.380 4.367 0.013 1
1 1156 . 11 1 1 A 106 106 THR CA C 106 61.400 63.085 -1.685 1
1 1157 . 11 1 1 A 106 106 THR CB C 106 70.000 69.386 0.614 1
1 1159 . 11 1 1 A 106 106 THR N N 106 118.700 122.084 -3.384 1
1 1160 . 11 1 1 A 107 107 VAL H H 107 8.280 7.452 0.828 1
1 1161 . 11 1 1 A 107 107 VAL HA H 107 4.050 4.100 -0.050 1
1 1169 . 11 1 1 A 107 107 VAL CA C 107 62.600 62.235 0.365 1
1 1170 . 11 1 1 A 107 107 VAL CB C 107 32.600 31.726 0.874 1
1 1173 . 11 1 1 A 107 107 VAL N N 107 122.700 120.974 1.726 1
1 1174 . 11 1 1 A 108 108 GLU H H 108 8.500 8.861 -0.361 1
1 1175 . 11 1 1 A 108 108 GLU HA H 108 4.230 4.836 -0.606 1
1 1180 . 11 1 1 A 108 108 GLU CA C 108 56.600 55.393 1.207 1
1 1181 . 11 1 1 A 108 108 GLU CB C 108 30.000 31.219 -1.219 1
1 1183 . 11 1 1 A 108 108 GLU N N 108 124.100 128.057 -3.957 1
1 1184 . 11 1 1 A 109 109 MET H H 109 8.570 9.009 -0.439 1
1 1185 . 11 1 1 A 109 109 MET HA H 109 4.460 5.307 -0.847 1
1 1188 . 11 1 1 A 109 109 MET CA C 109 55.300 54.448 0.852 1
1 1189 . 11 1 1 A 109 109 MET CB C 109 26.800 36.886 -10.086 1
1 1190 . 11 1 1 A 109 109 MET N N 109 121.300 124.418 -3.118 1
1 1191 . 11 1 1 A 110 110 ILE H H 110 8.280 8.860 -0.580 1
1 1192 . 11 1 1 A 110 110 ILE HA H 110 4.080 4.691 -0.611 1
1 1202 . 11 1 1 A 110 110 ILE CA C 110 61.400 60.388 1.012 1
1 1203 . 11 1 1 A 110 110 ILE CB C 110 38.700 39.975 -1.275 1
1 1207 . 11 1 1 A 110 110 ILE N N 110 122.600 122.319 0.281 1
1 1208 . 11 1 1 A 111 111 ASN H H 111 8.590 8.926 -0.336 1
1 1209 . 11 1 1 A 111 111 ASN HA H 111 4.690 5.391 -0.701 1
1 1214 . 11 1 1 A 111 111 ASN CA C 111 53.000 51.896 1.104 1
1 1215 . 11 1 1 A 111 111 ASN CB C 111 38.600 42.556 -3.956 1
1 1216 . 11 1 1 A 111 111 ASN N N 111 122.800 128.571 -5.771 1
1 1218 . 11 1 1 A 112 112 LEU H H 112 8.340 8.472 -0.132 1
1 1219 . 11 1 1 A 112 112 LEU HA H 112 4.240 4.718 -0.478 1
1 1229 . 11 1 1 A 112 112 LEU CA C 112 55.400 54.334 1.066 1
1 1230 . 11 1 1 A 112 112 LEU CB C 112 42.100 42.627 -0.527 1
1 1 . 12 1 1 A 3 3 THR HA H 3 4.250 4.317 -0.067 1
1 6 . 12 1 1 A 3 3 THR CA C 3 62.000 61.146 0.854 1
1 7 . 12 1 1 A 3 3 THR CB C 3 69.700 69.678 0.022 1
1 9 . 12 1 1 A 4 4 PHE H H 4 8.440 8.695 -0.255 1
1 10 . 12 1 1 A 4 4 PHE HA H 4 4.650 4.790 -0.140 1
1 17 . 12 1 1 A 4 4 PHE CA C 4 57.700 57.786 -0.086 1
1 18 . 12 1 1 A 4 4 PHE CB C 4 39.400 40.280 -0.880 1
1 21 . 12 1 1 A 4 4 PHE N N 4 122.400 121.782 0.618 1
1 22 . 12 1 1 A 5 5 ASP H H 5 8.500 9.232 -0.732 1
1 23 . 12 1 1 A 5 5 ASP HA H 5 4.600 4.382 0.218 1
1 26 . 12 1 1 A 5 5 ASP CA C 5 53.900 54.964 -1.064 1
1 27 . 12 1 1 A 5 5 ASP CB C 5 40.700 39.449 1.251 1
1 28 . 12 1 1 A 5 5 ASP N N 5 121.800 121.996 -0.196 1
1 29 . 12 1 1 A 6 6 HIS H H 6 8.240 8.609 -0.369 1
1 30 . 12 1 1 A 6 6 HIS HA H 6 4.780 5.242 -0.462 1
1 34 . 12 1 1 A 6 6 HIS CA C 6 55.300 55.666 -0.366 1
1 35 . 12 1 1 A 6 6 HIS CB C 6 31.500 29.110 2.390 1
1 37 . 12 1 1 A 6 6 HIS N N 6 120.400 123.365 -2.965 1
1 38 . 12 1 1 A 7 7 GLY H H 7 8.660 8.995 -0.335 1
1 39 . 12 1 1 A 7 7 GLY HA2 H 7 4.500 4.105 0.395 1
1 40 . 12 1 1 A 7 7 GLY HA3 H 7 3.580 4.125 -0.545 1
1 41 . 12 1 1 A 7 7 GLY CA C 7 44.200 44.199 0.001 1
1 42 . 12 1 1 A 7 7 GLY N N 7 109.200 111.433 -2.233 1
1 43 . 12 1 1 A 8 8 ASN H H 8 8.040 8.535 -0.495 1
1 44 . 12 1 1 A 8 8 ASN HA H 8 5.500 5.974 -0.474 1
1 49 . 12 1 1 A 8 8 ASN CA C 8 52.600 51.794 0.806 1
1 50 . 12 1 1 A 8 8 ASN CB C 8 42.700 41.807 0.893 1
1 51 . 12 1 1 A 8 8 ASN N N 8 115.100 118.775 -3.675 1
1 53 . 12 1 1 A 9 9 LEU H H 9 8.850 8.705 0.145 1
1 54 . 12 1 1 A 9 9 LEU HA H 9 4.530 4.772 -0.242 1
1 64 . 12 1 1 A 9 9 LEU CA C 9 54.700 54.320 0.380 1
1 65 . 12 1 1 A 9 9 LEU CB C 9 47.000 45.540 1.460 1
1 69 . 12 1 1 A 9 9 LEU N N 9 123.500 123.950 -0.450 1
1 70 . 12 1 1 A 10 10 SER H H 10 8.850 9.193 -0.343 1
1 71 . 12 1 1 A 10 10 SER HA H 10 5.030 4.382 0.648 1
1 74 . 12 1 1 A 10 10 SER CA C 10 57.000 59.053 -2.053 1
1 75 . 12 1 1 A 10 10 SER CB C 10 63.900 63.423 0.477 1
1 76 . 12 1 1 A 10 10 SER N N 10 121.800 123.057 -1.257 1
1 77 . 12 1 1 A 11 11 LEU H H 11 8.820 8.936 -0.116 1
1 78 . 12 1 1 A 11 11 LEU HA H 11 4.460 4.543 -0.083 1
1 88 . 12 1 1 A 11 11 LEU CA C 11 54.400 54.825 -0.425 1
1 89 . 12 1 1 A 11 11 LEU CB C 11 41.900 42.677 -0.777 1
1 93 . 12 1 1 A 11 11 LEU N N 11 127.300 126.690 0.610 1
1 94 . 12 1 1 A 12 12 GLY H H 12 8.140 7.822 0.318 1
1 95 . 12 1 1 A 12 12 GLY HA2 H 12 3.720 4.064 -0.344 1
1 96 . 12 1 1 A 12 12 GLY HA3 H 12 4.080 4.095 -0.015 1
1 97 . 12 1 1 A 12 12 GLY CA C 12 44.700 44.120 0.580 1
1 98 . 12 1 1 A 12 12 GLY N N 12 108.000 106.328 1.672 1
1 99 . 12 1 1 A 13 13 GLU H H 13 8.210 8.358 -0.148 1
1 100 . 12 1 1 A 13 13 GLU HA H 13 4.560 4.764 -0.204 1
1 105 . 12 1 1 A 13 13 GLU CA C 13 55.700 55.795 -0.095 1
1 106 . 12 1 1 A 13 13 GLU CB C 13 30.300 29.971 0.329 1
1 108 . 12 1 1 A 13 13 GLU N N 13 119.000 118.505 0.495 1
1 109 . 12 1 1 A 14 14 LEU H H 14 9.360 9.375 -0.015 1
1 110 . 12 1 1 A 14 14 LEU HA H 14 4.720 4.994 -0.274 1
1 120 . 12 1 1 A 14 14 LEU CA C 14 53.400 53.654 -0.254 1
1 121 . 12 1 1 A 14 14 LEU CB C 14 44.200 43.788 0.412 1
1 125 . 12 1 1 A 14 14 LEU N N 14 126.700 126.909 -0.209 1
1 126 . 12 1 1 A 15 15 GLU H H 15 8.680 8.608 0.072 1
1 127 . 12 1 1 A 15 15 GLU HA H 15 4.240 4.711 -0.471 1
1 132 . 12 1 1 A 15 15 GLU CA C 15 56.900 56.352 0.548 1
1 133 . 12 1 1 A 15 15 GLU CB C 15 29.900 30.421 -0.521 1
1 135 . 12 1 1 A 15 15 GLU N N 15 120.600 123.712 -3.112 1
1 136 . 12 1 1 A 16 16 LEU H H 16 7.740 8.744 -1.004 1
1 137 . 12 1 1 A 16 16 LEU HA H 16 4.360 4.707 -0.347 1
1 147 . 12 1 1 A 16 16 LEU CA C 16 54.000 54.998 -0.998 1
1 148 . 12 1 1 A 16 16 LEU CB C 16 43.300 43.667 -0.367 1
1 152 . 12 1 1 A 16 16 LEU N N 16 125.200 125.946 -0.746 1
1 153 . 12 1 1 A 17 17 THR H H 17 8.500 8.728 -0.228 1
1 154 . 12 1 1 A 17 17 THR HA H 17 4.420 5.025 -0.605 1
1 159 . 12 1 1 A 17 17 THR CA C 17 63.100 62.328 0.772 1
1 160 . 12 1 1 A 17 17 THR CB C 17 69.600 69.534 0.066 1
1 162 . 12 1 1 A 17 17 THR N N 17 127.300 122.182 5.118 1
1 163 . 12 1 1 A 18 18 VAL H H 18 8.840 9.311 -0.471 1
1 164 . 12 1 1 A 18 18 VAL HA H 18 4.490 4.771 -0.281 1
1 172 . 12 1 1 A 18 18 VAL CA C 18 61.100 61.172 -0.072 1
1 173 . 12 1 1 A 18 18 VAL CB C 18 33.300 33.558 -0.258 1
1 176 . 12 1 1 A 18 18 VAL N N 18 127.000 128.172 -1.172 1
1 177 . 12 1 1 A 19 19 LEU H H 19 8.830 9.804 -0.974 1
1 178 . 12 1 1 A 19 19 LEU HA H 19 4.920 5.010 -0.090 1
1 188 . 12 1 1 A 19 19 LEU CA C 19 53.400 53.265 0.135 1
1 189 . 12 1 1 A 19 19 LEU CB C 19 41.200 42.562 -1.362 1
1 193 . 12 1 1 A 19 19 LEU N N 19 128.500 127.466 1.034 1
1 194 . 12 1 1 A 20 20 TYR H H 20 8.470 8.495 -0.025 1
1 195 . 12 1 1 A 20 20 TYR HA H 20 4.280 5.531 -1.251 1
1 202 . 12 1 1 A 20 20 TYR CA C 20 55.600 55.757 -0.157 1
1 203 . 12 1 1 A 20 20 TYR CB C 20 38.200 41.161 -2.961 1
1 206 . 12 1 1 A 20 20 TYR N N 20 120.300 121.699 -1.399 1
1 207 . 12 1 1 A 21 21 ASP H H 21 8.920 8.887 0.033 1
1 208 . 12 1 1 A 21 21 ASP HA H 21 4.640 5.113 -0.473 1
1 211 . 12 1 1 A 21 21 ASP CA C 21 53.000 52.640 0.360 1
1 212 . 12 1 1 A 21 21 ASP CB C 21 39.300 42.205 -2.905 1
1 213 . 12 1 1 A 21 21 ASP N N 21 118.600 121.158 -2.558 1
1 214 . 12 1 1 A 22 22 GLU H H 22 7.930 8.995 -1.065 1
1 215 . 12 1 1 A 22 22 GLU HA H 22 4.250 4.532 -0.282 1
1 220 . 12 1 1 A 22 22 GLU CA C 22 57.000 58.452 -1.452 1
1 221 . 12 1 1 A 22 22 GLU CB C 22 29.000 28.968 0.032 1
1 223 . 12 1 1 A 22 22 GLU N N 22 126.600 125.498 1.102 1
1 224 . 12 1 1 A 23 23 GLU H H 23 8.060 8.236 -0.176 1
1 225 . 12 1 1 A 23 23 GLU HA H 23 4.130 4.252 -0.122 1
1 230 . 12 1 1 A 23 23 GLU CA C 23 57.800 58.063 -0.263 1
1 231 . 12 1 1 A 23 23 GLU CB C 23 29.500 29.361 0.139 1
1 233 . 12 1 1 A 23 23 GLU N N 23 117.800 118.668 -0.868 1
1 234 . 12 1 1 A 24 24 ARG H H 24 7.070 7.802 -0.732 1
1 235 . 12 1 1 A 24 24 ARG HA H 24 4.170 4.523 -0.353 1
1 243 . 12 1 1 A 24 24 ARG CA C 24 56.500 57.570 -1.070 1
1 244 . 12 1 1 A 24 24 ARG CB C 24 33.500 32.673 0.827 1
1 247 . 12 1 1 A 24 24 ARG N N 24 116.700 119.498 -2.798 1
1 249 . 12 1 1 A 25 25 TYR H H 25 8.150 7.654 0.496 1
1 250 . 12 1 1 A 25 25 TYR HA H 25 5.470 5.065 0.405 1
1 257 . 12 1 1 A 25 25 TYR CA C 25 56.900 57.160 -0.260 1
1 258 . 12 1 1 A 25 25 TYR CB C 25 43.100 40.976 2.124 1
1 261 . 12 1 1 A 25 25 TYR N N 25 116.800 116.509 0.291 1
1 262 . 12 1 1 A 26 26 ASP H H 26 9.120 9.270 -0.150 1
1 263 . 12 1 1 A 26 26 ASP HA H 26 5.250 5.347 -0.097 1
1 266 . 12 1 1 A 26 26 ASP CA C 26 52.400 53.100 -0.700 1
1 267 . 12 1 1 A 26 26 ASP CB C 26 44.500 44.798 -0.298 1
1 268 . 12 1 1 A 26 26 ASP N N 26 116.900 120.239 -3.339 1
1 269 . 12 1 1 A 27 27 ILE H H 27 8.640 8.821 -0.181 1
1 270 . 12 1 1 A 27 27 ILE HA H 27 4.100 3.966 0.134 1
1 280 . 12 1 1 A 27 27 ILE CA C 27 61.400 61.749 -0.349 1
1 281 . 12 1 1 A 27 27 ILE CB C 27 38.600 37.046 1.554 1
1 285 . 12 1 1 A 27 27 ILE N N 27 121.200 122.184 -0.984 1
1 286 . 12 1 1 A 28 28 VAL H H 28 8.840 9.264 -0.424 1
1 287 . 12 1 1 A 28 28 VAL HA H 28 3.930 4.392 -0.462 1
1 295 . 12 1 1 A 28 28 VAL CA C 28 63.800 63.790 0.010 1
1 296 . 12 1 1 A 28 28 VAL CB C 28 32.900 32.556 0.344 1
1 299 . 12 1 1 A 28 28 VAL N N 28 128.700 128.314 0.386 1
1 300 . 12 1 1 A 29 29 GLU H H 29 7.180 7.240 -0.060 1
1 301 . 12 1 1 A 29 29 GLU HA H 29 4.490 4.739 -0.249 1
1 306 . 12 1 1 A 29 29 GLU CA C 29 55.200 54.803 0.397 1
1 307 . 12 1 1 A 29 29 GLU CB C 29 32.900 34.240 -1.340 1
1 309 . 12 1 1 A 29 29 GLU N N 29 116.000 119.029 -3.029 1
1 310 . 12 1 1 A 30 30 GLN H H 30 8.760 8.641 0.119 1
1 311 . 12 1 1 A 30 30 GLN HA H 30 5.450 4.652 0.798 1
1 314 . 12 1 1 A 30 30 GLN CA C 30 54.200 55.338 -1.138 1
1 315 . 12 1 1 A 30 30 GLN CB C 30 33.100 33.316 -0.216 1
1 316 . 12 1 1 A 30 30 GLN N N 30 117.200 123.745 -6.545 1
1 317 . 12 1 1 A 31 31 THR H H 31 8.200 9.035 -0.835 1
1 318 . 12 1 1 A 31 31 THR HA H 31 4.160 4.437 -0.277 1
1 323 . 12 1 1 A 31 31 THR CA C 31 64.500 62.568 1.932 1
1 324 . 12 1 1 A 31 31 THR CB C 31 70.300 68.482 1.818 1
1 326 . 12 1 1 A 31 31 THR N N 31 119.400 121.366 -1.966 1
1 327 . 12 1 1 A 32 32 GLU H H 32 9.230 8.980 0.250 1
1 328 . 12 1 1 A 32 32 GLU HA H 32 4.170 4.319 -0.149 1
1 333 . 12 1 1 A 32 32 GLU CA C 32 60.000 59.180 0.820 1
1 334 . 12 1 1 A 32 32 GLU CB C 32 31.000 30.611 0.389 1
1 336 . 12 1 1 A 32 32 GLU N N 32 129.600 128.139 1.461 1
1 337 . 12 1 1 A 33 33 THR H H 33 7.510 8.042 -0.532 1
1 338 . 12 1 1 A 33 33 THR HA H 33 5.320 5.289 0.031 1
1 343 . 12 1 1 A 33 33 THR CA C 33 58.500 59.754 -1.254 1
1 344 . 12 1 1 A 33 33 THR CB C 33 73.100 71.894 1.206 1
1 346 . 12 1 1 A 33 33 THR N N 33 107.500 109.508 -2.008 1
1 347 . 12 1 1 A 34 34 VAL H H 34 8.700 9.186 -0.486 1
1 348 . 12 1 1 A 34 34 VAL HA H 34 4.670 5.064 -0.394 1
1 356 . 12 1 1 A 34 34 VAL CA C 34 59.200 58.764 0.436 1
1 357 . 12 1 1 A 34 34 VAL CB C 34 35.200 35.490 -0.290 1
1 360 . 12 1 1 A 34 34 VAL N N 34 112.000 117.908 -5.908 1
1 361 . 12 1 1 A 35 35 GLN H H 35 8.930 8.675 0.255 1
1 362 . 12 1 1 A 35 35 GLN HA H 35 4.790 5.041 -0.251 1
1 369 . 12 1 1 A 35 35 GLN CA C 35 54.800 54.848 -0.048 1
1 370 . 12 1 1 A 35 35 GLN CB C 35 29.900 30.554 -0.654 1
1 372 . 12 1 1 A 35 35 GLN N N 35 123.200 121.236 1.964 1
1 374 . 12 1 1 A 36 36 VAL H H 36 7.940 8.125 -0.185 1
1 375 . 12 1 1 A 36 36 VAL HA H 36 4.850 4.816 0.034 1
1 383 . 12 1 1 A 36 36 VAL CA C 36 61.300 60.936 0.364 1
1 384 . 12 1 1 A 36 36 VAL CB C 36 34.200 34.076 0.124 1
1 387 . 12 1 1 A 36 36 VAL N N 36 124.300 123.916 0.384 1
1 388 . 12 1 1 A 37 37 ASP H H 37 8.670 9.305 -0.635 1
1 389 . 12 1 1 A 37 37 ASP HA H 37 5.240 5.482 -0.242 1
1 392 . 12 1 1 A 37 37 ASP CA C 37 53.000 52.549 0.451 1
1 393 . 12 1 1 A 37 37 ASP CB C 37 44.700 44.617 0.083 1
1 394 . 12 1 1 A 37 37 ASP N N 37 126.900 127.988 -1.088 1
1 395 . 12 1 1 A 38 38 LEU H H 38 8.850 9.064 -0.214 1
1 396 . 12 1 1 A 38 38 LEU HA H 38 5.160 4.927 0.233 1
1 406 . 12 1 1 A 38 38 LEU CA C 38 52.400 53.363 -0.963 1
1 407 . 12 1 1 A 38 38 LEU CB C 38 46.100 43.474 2.626 1
1 411 . 12 1 1 A 38 38 LEU N N 38 119.100 125.632 -6.532 1
1 412 . 12 1 1 A 39 39 GLU H H 39 8.380 9.211 -0.831 1
1 413 . 12 1 1 A 39 39 GLU HA H 39 5.210 5.663 -0.453 1
1 418 . 12 1 1 A 39 39 GLU CA C 39 54.600 54.742 -0.142 1
1 419 . 12 1 1 A 39 39 GLU CB C 39 33.900 33.026 0.874 1
1 421 . 12 1 1 A 39 39 GLU N N 39 120.800 124.135 -3.335 1
1 422 . 12 1 1 A 40 40 GLY H H 40 8.110 8.198 -0.088 1
1 423 . 12 1 1 A 40 40 GLY HA2 H 40 4.230 4.015 0.215 1
1 424 . 12 1 1 A 40 40 GLY HA3 H 40 3.730 4.108 -0.378 1
1 425 . 12 1 1 A 40 40 GLY CA C 40 45.000 44.572 0.428 1
1 426 . 12 1 1 A 40 40 GLY N N 40 110.000 111.827 -1.827 1
1 427 . 12 1 1 A 41 41 PRO HA H 41 4.380 4.354 0.026 1
1 434 . 12 1 1 A 41 41 PRO CA C 41 62.200 63.171 -0.971 1
1 435 . 12 1 1 A 41 41 PRO CB C 41 32.400 31.826 0.574 1
1 438 . 12 1 1 A 42 42 ARG H H 42 9.020 8.681 0.339 1
1 439 . 12 1 1 A 42 42 ARG HA H 42 3.790 3.973 -0.183 1
1 446 . 12 1 1 A 42 42 ARG CA C 42 60.400 59.487 0.913 1
1 447 . 12 1 1 A 42 42 ARG CB C 42 29.900 29.970 -0.070 1
1 450 . 12 1 1 A 42 42 ARG N N 42 125.500 124.739 0.761 1
1 451 . 12 1 1 A 43 43 GLY H H 43 9.310 8.317 0.993 1
1 452 . 12 1 1 A 43 43 GLY HA2 H 43 3.890 3.665 0.225 1
1 453 . 12 1 1 A 43 43 GLY HA3 H 43 3.890 3.688 0.202 1
1 454 . 12 1 1 A 43 43 GLY CA C 43 47.000 47.679 -0.679 1
1 455 . 12 1 1 A 43 43 GLY N N 43 107.200 106.907 0.293 1
1 456 . 12 1 1 A 44 44 VAL H H 44 6.930 8.410 -1.480 1
1 457 . 12 1 1 A 44 44 VAL HA H 44 3.800 3.778 0.022 1
1 465 . 12 1 1 A 44 44 VAL CA C 44 65.100 66.052 -0.952 1
1 466 . 12 1 1 A 44 44 VAL CB C 44 32.000 31.714 0.286 1
1 469 . 12 1 1 A 44 44 VAL N N 44 121.100 122.676 -1.576 1
1 470 . 12 1 1 A 45 45 LEU H H 45 7.830 7.768 0.062 1
1 471 . 12 1 1 A 45 45 LEU HA H 45 3.890 3.956 -0.066 1
1 481 . 12 1 1 A 45 45 LEU CA C 45 58.100 57.996 0.104 1
1 482 . 12 1 1 A 45 45 LEU CB C 45 41.800 41.317 0.483 1
1 486 . 12 1 1 A 45 45 LEU N N 45 120.700 119.216 1.484 1
1 487 . 12 1 1 A 46 46 THR H H 46 8.340 7.954 0.386 1
1 488 . 12 1 1 A 46 46 THR HA H 46 3.850 3.835 0.015 1
1 493 . 12 1 1 A 46 46 THR CA C 46 66.800 66.730 0.070 1
1 494 . 12 1 1 A 46 46 THR CB C 46 68.800 68.136 0.664 1
1 496 . 12 1 1 A 46 46 THR N N 46 114.900 116.256 -1.356 1
1 497 . 12 1 1 A 47 47 VAL H H 47 7.210 8.378 -1.168 1
1 498 . 12 1 1 A 47 47 VAL HA H 47 3.820 4.010 -0.190 1
1 506 . 12 1 1 A 47 47 VAL CA C 47 65.600 66.807 -1.207 1
1 507 . 12 1 1 A 47 47 VAL CB C 47 31.900 31.685 0.215 1
1 510 . 12 1 1 A 47 47 VAL N N 47 119.600 121.347 -1.747 1
1 511 . 12 1 1 A 48 48 PHE H H 48 8.140 8.759 -0.619 1
1 512 . 12 1 1 A 48 48 PHE HA H 48 4.210 4.118 0.092 1
1 520 . 12 1 1 A 48 48 PHE CA C 48 61.100 60.796 0.304 1
1 521 . 12 1 1 A 48 48 PHE CB C 48 39.200 39.319 -0.119 1
1 525 . 12 1 1 A 48 48 PHE N N 48 120.600 120.268 0.332 1
1 526 . 12 1 1 A 49 49 ARG H H 49 8.150 7.831 0.319 1
1 527 . 12 1 1 A 49 49 ARG HA H 49 3.710 4.173 -0.463 1
1 534 . 12 1 1 A 49 49 ARG CA C 49 58.500 57.664 0.836 1
1 535 . 12 1 1 A 49 49 ARG CB C 49 30.000 30.234 -0.234 1
1 538 . 12 1 1 A 49 49 ARG N N 49 117.500 117.939 -0.439 1
1 539 . 12 1 1 A 50 50 PHE H H 50 7.270 7.489 -0.219 1
1 540 . 12 1 1 A 50 50 PHE HA H 50 4.620 4.399 0.221 1
1 548 . 12 1 1 A 50 50 PHE CA C 50 57.700 59.796 -2.096 1
1 549 . 12 1 1 A 50 50 PHE CB C 50 39.600 39.445 0.155 1
1 553 . 12 1 1 A 50 50 PHE N N 50 115.500 115.798 -0.298 1
1 554 . 12 1 1 A 51 51 ALA H H 51 7.620 7.163 0.457 1
1 555 . 12 1 1 A 51 51 ALA HA H 51 4.320 4.468 -0.148 1
1 559 . 12 1 1 A 51 51 ALA CA C 51 51.700 51.211 0.489 1
1 560 . 12 1 1 A 51 51 ALA CB C 51 19.300 21.556 -2.256 1
1 561 . 12 1 1 A 51 51 ALA N N 51 124.200 121.015 3.185 1
1 562 . 12 1 1 A 52 52 ARG H H 52 8.570 8.269 0.301 1
1 563 . 12 1 1 A 52 52 ARG HA H 52 4.270 4.674 -0.404 1
1 570 . 12 1 1 A 52 52 ARG CA C 52 54.700 53.784 0.916 1
1 571 . 12 1 1 A 52 52 ARG CB C 52 29.300 29.632 -0.332 1
1 574 . 12 1 1 A 52 52 ARG N N 52 123.500 118.966 4.534 1
1 575 . 12 1 1 A 53 53 PRO HA H 53 4.240 4.513 -0.273 1
1 582 . 12 1 1 A 53 53 PRO CA C 53 63.600 62.749 0.851 1
1 583 . 12 1 1 A 53 53 PRO CB C 53 31.600 31.555 0.045 1
1 586 . 12 1 1 A 54 54 SER H H 54 8.100 8.750 -0.650 1
1 587 . 12 1 1 A 54 54 SER HA H 54 4.390 4.714 -0.324 1
1 590 . 12 1 1 A 54 54 SER CA C 54 57.200 57.363 -0.163 1
1 591 . 12 1 1 A 54 54 SER CB C 54 63.100 64.368 -1.268 1
1 592 . 12 1 1 A 54 54 SER N N 54 117.200 119.692 -2.492 1
1 593 . 12 1 1 A 55 55 TYR H H 55 6.640 7.026 -0.386 1
1 594 . 12 1 1 A 55 55 TYR HA H 55 5.030 5.694 -0.664 1
1 601 . 12 1 1 A 55 55 TYR CA C 55 53.900 55.746 -1.846 1
1 602 . 12 1 1 A 55 55 TYR CB C 55 39.200 41.175 -1.975 1
1 605 . 12 1 1 A 55 55 TYR N N 55 119.200 118.148 1.052 1
1 606 . 12 1 1 A 56 56 GLU H H 56 8.890 8.857 0.033 1
1 607 . 12 1 1 A 56 56 GLU HA H 56 4.740 5.355 -0.615 1
1 612 . 12 1 1 A 56 56 GLU CA C 56 55.700 54.959 0.741 1
1 613 . 12 1 1 A 56 56 GLU CB C 56 35.000 33.363 1.637 1
1 615 . 12 1 1 A 56 56 GLU N N 56 118.800 122.674 -3.874 1
1 616 . 12 1 1 A 57 57 VAL H H 57 8.830 9.111 -0.281 1
1 617 . 12 1 1 A 57 57 VAL HA H 57 5.370 5.072 0.298 1
1 625 . 12 1 1 A 57 57 VAL CA C 57 59.900 60.584 -0.684 1
1 626 . 12 1 1 A 57 57 VAL CB C 57 33.300 34.223 -0.923 1
1 629 . 12 1 1 A 57 57 VAL N N 57 117.800 118.984 -1.184 1
1 630 . 12 1 1 A 58 58 PHE H H 58 8.870 8.798 0.072 1
1 631 . 12 1 1 A 58 58 PHE HA H 58 6.090 6.014 0.076 1
1 634 . 12 1 1 A 58 58 PHE CA C 58 55.600 55.621 -0.021 1
1 635 . 12 1 1 A 58 58 PHE CB C 58 42.700 42.952 -0.252 1
1 636 . 12 1 1 A 58 58 PHE N N 58 120.600 120.818 -0.218 1
1 637 . 12 1 1 A 59 59 VAL H H 59 8.270 8.910 -0.640 1
1 638 . 12 1 1 A 59 59 VAL HA H 59 4.730 4.961 -0.231 1
1 646 . 12 1 1 A 59 59 VAL CA C 59 58.500 60.750 -2.250 1
1 647 . 12 1 1 A 59 59 VAL CB C 59 34.800 34.655 0.145 1
1 650 . 12 1 1 A 59 59 VAL N N 59 108.700 120.869 -12.169 1
1 651 . 12 1 1 A 60 60 ASP H H 60 9.360 8.979 0.381 1
1 652 . 12 1 1 A 60 60 ASP HA H 60 5.080 5.269 -0.189 1
1 655 . 12 1 1 A 60 60 ASP CA C 60 52.700 52.950 -0.250 1
1 656 . 12 1 1 A 60 60 ASP CB C 60 41.100 42.754 -1.654 1
1 657 . 12 1 1 A 60 60 ASP N N 60 123.000 128.144 -5.144 1
1 658 . 12 1 1 A 61 61 LEU H H 61 9.230 9.447 -0.217 1
1 659 . 12 1 1 A 61 61 LEU HA H 61 4.670 4.885 -0.215 1
1 669 . 12 1 1 A 61 61 LEU CA C 61 53.300 54.205 -0.905 1
1 670 . 12 1 1 A 61 61 LEU CB C 61 40.900 43.391 -2.491 1
1 674 . 12 1 1 A 61 61 LEU N N 61 128.600 128.066 0.534 1
1 675 . 12 1 1 A 62 62 THR H H 62 8.720 8.597 0.123 1
1 676 . 12 1 1 A 62 62 THR HA H 62 3.590 4.420 -0.830 1
1 681 . 12 1 1 A 62 62 THR CA C 62 67.000 62.870 4.130 1
1 682 . 12 1 1 A 62 62 THR CB C 62 69.100 69.782 -0.682 1
1 684 . 12 1 1 A 62 62 THR N N 62 115.800 115.241 0.559 1
1 685 . 12 1 1 A 63 63 GLU H H 63 8.490 7.791 0.699 1
1 686 . 12 1 1 A 63 63 GLU HA H 63 4.530 4.426 0.104 1
1 691 . 12 1 1 A 63 63 GLU CA C 63 55.100 55.992 -0.892 1
1 692 . 12 1 1 A 63 63 GLU CB C 63 29.200 30.416 -1.216 1
1 694 . 12 1 1 A 63 63 GLU N N 63 118.800 120.204 -1.404 1
1 695 . 12 1 1 A 64 64 ALA H H 64 7.100 7.333 -0.233 1
1 696 . 12 1 1 A 64 64 ALA HA H 64 4.130 3.795 0.335 1
1 700 . 12 1 1 A 64 64 ALA CA C 64 51.500 52.046 -0.546 1
1 701 . 12 1 1 A 64 64 ALA CB C 64 20.900 18.850 2.050 1
1 702 . 12 1 1 A 64 64 ALA N N 64 123.700 123.074 0.626 1
1 703 . 12 1 1 A 65 65 GLY H H 65 7.800 8.289 -0.489 1
1 704 . 12 1 1 A 65 65 GLY HA2 H 65 4.180 3.655 0.525 1
1 705 . 12 1 1 A 65 65 GLY HA3 H 65 3.540 3.974 -0.434 1
1 706 . 12 1 1 A 65 65 GLY CA C 65 42.600 44.108 -1.508 1
1 707 . 12 1 1 A 65 65 GLY N N 65 106.800 110.906 -4.106 1
1 708 . 12 1 1 A 66 66 GLU H H 66 8.490 8.339 0.151 1
1 709 . 12 1 1 A 66 66 GLU HA H 66 3.750 4.138 -0.388 1
1 714 . 12 1 1 A 66 66 GLU CA C 66 57.400 56.159 1.241 1
1 715 . 12 1 1 A 66 66 GLU CB C 66 30.300 30.648 -0.348 1
1 717 . 12 1 1 A 66 66 GLU N N 66 119.900 119.179 0.721 1
1 718 . 12 1 1 A 67 67 GLY H H 67 8.470 8.417 0.053 1
1 719 . 12 1 1 A 67 67 GLY HA2 H 67 3.770 4.015 -0.245 1
1 720 . 12 1 1 A 67 67 GLY HA3 H 67 4.390 4.044 0.346 1
1 721 . 12 1 1 A 67 67 GLY CA C 67 43.400 44.774 -1.374 1
1 722 . 12 1 1 A 67 67 GLY N N 67 110.800 109.989 0.811 1
1 723 . 12 1 1 A 68 68 SER H H 68 8.250 8.270 -0.020 1
1 724 . 12 1 1 A 68 68 SER HA H 68 4.610 4.727 -0.117 1
1 727 . 12 1 1 A 68 68 SER CA C 68 57.700 58.301 -0.601 1
1 728 . 12 1 1 A 68 68 SER CB C 68 63.300 63.831 -0.531 1
1 729 . 12 1 1 A 68 68 SER N N 68 114.500 115.597 -1.097 1
1 730 . 12 1 1 A 69 69 HIS H H 69 8.780 9.473 -0.693 1
1 731 . 12 1 1 A 69 69 HIS HA H 69 4.790 5.322 -0.532 1
1 734 . 12 1 1 A 69 69 HIS CA C 69 55.300 54.439 0.861 1
1 735 . 12 1 1 A 69 69 HIS CB C 69 33.900 32.520 1.380 1
1 736 . 12 1 1 A 69 69 HIS N N 69 125.400 124.881 0.519 1
1 737 . 12 1 1 A 70 70 THR H H 70 8.870 8.883 -0.013 1
1 738 . 12 1 1 A 70 70 THR HA H 70 5.380 5.360 0.020 1
1 743 . 12 1 1 A 70 70 THR CA C 70 61.600 62.026 -0.426 1
1 744 . 12 1 1 A 70 70 THR CB C 70 69.400 69.604 -0.204 1
1 746 . 12 1 1 A 70 70 THR N N 70 121.200 118.735 2.465 1
1 747 . 12 1 1 A 71 71 VAL H H 71 8.860 8.902 -0.042 1
1 748 . 12 1 1 A 71 71 VAL HA H 71 4.730 5.003 -0.273 1
1 756 . 12 1 1 A 71 71 VAL CA C 71 58.900 58.771 0.129 1
1 757 . 12 1 1 A 71 71 VAL CB C 71 36.000 35.815 0.185 1
1 760 . 12 1 1 A 71 71 VAL N N 71 122.100 119.934 2.166 1
1 761 . 12 1 1 A 72 72 ASP H H 72 8.610 8.489 0.121 1
1 762 . 12 1 1 A 72 72 ASP HA H 72 4.660 4.718 -0.058 1
1 765 . 12 1 1 A 72 72 ASP CA C 72 55.500 54.301 1.199 1
1 766 . 12 1 1 A 72 72 ASP CB C 72 40.800 41.601 -0.801 1
1 767 . 12 1 1 A 72 72 ASP N N 72 124.300 123.060 1.240 1
1 768 . 12 1 1 A 73 73 VAL H H 73 8.090 8.441 -0.351 1
1 769 . 12 1 1 A 73 73 VAL HA H 73 3.770 4.379 -0.609 1
1 777 . 12 1 1 A 73 73 VAL CA C 73 63.600 61.786 1.814 1
1 778 . 12 1 1 A 73 73 VAL CB C 73 31.600 32.602 -1.002 1
1 781 . 12 1 1 A 73 73 VAL N N 73 121.400 125.228 -3.828 1
1 782 . 12 1 1 A 74 74 GLU H H 74 8.900 8.143 0.757 1
1 783 . 12 1 1 A 74 74 GLU HA H 74 4.370 4.384 -0.014 1
1 788 . 12 1 1 A 74 74 GLU CA C 74 54.700 55.109 -0.409 1
1 789 . 12 1 1 A 74 74 GLU CB C 74 33.300 31.303 1.997 1
1 791 . 12 1 1 A 74 74 GLU N N 74 129.600 127.269 2.331 1
1 792 . 12 1 1 A 75 75 HIS H H 75 7.940 8.128 -0.188 1
1 793 . 12 1 1 A 75 75 HIS HA H 75 5.830 5.440 0.390 1
1 796 . 12 1 1 A 75 75 HIS CA C 75 54.100 53.726 0.374 1
1 797 . 12 1 1 A 75 75 HIS CB C 75 39.500 32.996 6.504 1
1 798 . 12 1 1 A 75 75 HIS N N 75 112.800 118.739 -5.939 1
1 799 . 12 1 1 A 76 76 ARG H H 76 9.210 8.940 0.270 1
1 800 . 12 1 1 A 76 76 ARG HA H 76 5.170 4.630 0.540 1
1 805 . 12 1 1 A 76 76 ARG CA C 76 55.300 55.549 -0.249 1
1 806 . 12 1 1 A 76 76 ARG CB C 76 33.400 33.616 -0.216 1
1 808 . 12 1 1 A 76 76 ARG N N 76 117.100 120.852 -3.752 1
1 809 . 12 1 1 A 77 77 GLY H H 77 8.740 8.332 0.408 1
1 810 . 12 1 1 A 77 77 GLY HA2 H 77 4.410 4.143 0.267 1
1 811 . 12 1 1 A 77 77 GLY HA3 H 77 3.670 4.244 -0.574 1
1 812 . 12 1 1 A 77 77 GLY CA C 77 45.400 45.412 -0.012 1
1 813 . 12 1 1 A 77 77 GLY N N 77 107.400 113.851 -6.451 1
1 814 . 12 1 1 A 78 78 PHE H H 78 7.920 7.516 0.404 1
1 815 . 12 1 1 A 78 78 PHE HA H 78 4.450 4.661 -0.211 1
1 823 . 12 1 1 A 78 78 PHE CA C 78 54.200 54.787 -0.587 1
1 824 . 12 1 1 A 78 78 PHE CB C 78 41.000 40.279 0.721 1
1 828 . 12 1 1 A 78 78 PHE N N 78 120.200 118.569 1.631 1
1 829 . 12 1 1 A 79 79 PRO HA H 79 4.470 4.843 -0.373 1
1 836 . 12 1 1 A 79 79 PRO CA C 79 63.300 61.976 1.324 1
1 837 . 12 1 1 A 79 79 PRO CB C 79 32.200 32.640 -0.440 1
1 840 . 12 1 1 A 80 80 GLY H H 80 8.820 8.772 0.048 1
1 841 . 12 1 1 A 80 80 GLY HA2 H 80 4.020 3.974 0.046 1
1 842 . 12 1 1 A 80 80 GLY HA3 H 80 3.890 3.995 -0.105 1
1 843 . 12 1 1 A 80 80 GLY CA C 80 46.600 45.844 0.756 1
1 844 . 12 1 1 A 80 80 GLY N N 80 110.100 108.677 1.423 1
1 845 . 12 1 1 A 81 81 ASP H H 81 8.360 7.921 0.439 1
1 846 . 12 1 1 A 81 81 ASP HA H 81 4.560 4.434 0.126 1
1 849 . 12 1 1 A 81 81 ASP CA C 81 53.800 56.367 -2.567 1
1 850 . 12 1 1 A 81 81 ASP CB C 81 40.300 41.187 -0.887 1
1 851 . 12 1 1 A 81 81 ASP N N 81 114.800 119.751 -4.951 1
1 852 . 12 1 1 A 82 82 LEU H H 82 7.400 7.425 -0.025 1
1 853 . 12 1 1 A 82 82 LEU HA H 82 4.720 4.809 -0.089 1
1 863 . 12 1 1 A 82 82 LEU CA C 82 52.800 52.748 0.052 1
1 864 . 12 1 1 A 82 82 LEU CB C 82 42.900 43.988 -1.088 1
1 868 . 12 1 1 A 82 82 LEU N N 82 115.500 115.101 0.399 1
1 869 . 12 1 1 A 83 83 ALA H H 83 8.930 8.426 0.504 1
1 870 . 12 1 1 A 83 83 ALA HA H 83 4.530 4.788 -0.258 1
1 874 . 12 1 1 A 83 83 ALA CA C 83 50.900 50.944 -0.044 1
1 875 . 12 1 1 A 83 83 ALA CB C 83 19.600 19.909 -0.309 1
1 876 . 12 1 1 A 83 83 ALA N N 83 124.900 121.649 3.251 1
1 877 . 12 1 1 A 84 84 VAL H H 84 8.570 8.966 -0.396 1
1 878 . 12 1 1 A 84 84 VAL HA H 84 3.930 4.550 -0.620 1
1 886 . 12 1 1 A 84 84 VAL CA C 84 61.300 61.557 -0.257 1
1 887 . 12 1 1 A 84 84 VAL CB C 84 32.800 32.260 0.540 1
1 890 . 12 1 1 A 84 84 VAL N N 84 126.800 123.959 2.841 1
1 891 . 12 1 1 A 85 85 THR H H 85 9.000 9.249 -0.249 1
1 892 . 12 1 1 A 85 85 THR HA H 85 4.440 4.903 -0.463 1
1 897 . 12 1 1 A 85 85 THR CA C 85 61.900 61.661 0.239 1
1 898 . 12 1 1 A 85 85 THR CB C 85 70.100 70.601 -0.501 1
1 900 . 12 1 1 A 85 85 THR N N 85 125.500 123.283 2.217 1
1 901 . 12 1 1 A 86 86 VAL H H 86 8.280 8.997 -0.717 1
1 902 . 12 1 1 A 86 86 VAL HA H 86 5.010 4.786 0.224 1
1 910 . 12 1 1 A 86 86 VAL CA C 86 59.300 60.303 -1.003 1
1 911 . 12 1 1 A 86 86 VAL CB C 86 33.700 35.584 -1.884 1
1 914 . 12 1 1 A 86 86 VAL N N 86 123.200 125.941 -2.741 1
1 915 . 12 1 1 A 87 87 GLU H H 87 8.560 8.918 -0.358 1
1 916 . 12 1 1 A 87 87 GLU HA H 87 4.720 4.805 -0.085 1
1 921 . 12 1 1 A 87 87 GLU CA C 87 52.400 53.341 -0.941 1
1 922 . 12 1 1 A 87 87 GLU CB C 87 33.600 30.489 3.111 1
1 924 . 12 1 1 A 87 87 GLU N N 87 124.400 125.923 -1.523 1
1 925 . 12 1 1 A 88 88 PRO HA H 88 4.770 4.443 0.327 1
1 932 . 12 1 1 A 88 88 PRO CA C 88 62.800 63.633 -0.833 1
1 933 . 12 1 1 A 88 88 PRO CB C 88 34.300 32.340 1.960 1
1 936 . 12 1 1 A 89 89 ARG H H 89 8.200 8.929 -0.729 1
1 937 . 12 1 1 A 89 89 ARG HA H 89 4.050 4.458 -0.408 1
1 945 . 12 1 1 A 89 89 ARG CA C 89 57.300 57.078 0.222 1
1 946 . 12 1 1 A 89 89 ARG CB C 89 30.700 31.682 -0.982 1
1 949 . 12 1 1 A 89 89 ARG N N 89 114.400 119.608 -5.208 1
1 951 . 12 1 1 A 90 90 MET H H 90 7.750 7.545 0.205 1
1 952 . 12 1 1 A 90 90 MET HA H 90 5.060 5.148 -0.088 1
1 960 . 12 1 1 A 90 90 MET CA C 90 53.700 53.883 -0.183 1
1 961 . 12 1 1 A 90 90 MET CB C 90 34.700 34.982 -0.282 1
1 964 . 12 1 1 A 90 90 MET N N 90 115.900 118.854 -2.954 1
1 965 . 12 1 1 A 91 91 ALA H H 91 9.020 9.471 -0.451 1
1 966 . 12 1 1 A 91 91 ALA HA H 91 4.640 5.207 -0.567 1
1 970 . 12 1 1 A 91 91 ALA CA C 91 49.300 50.170 -0.870 1
1 971 . 12 1 1 A 91 91 ALA CB C 91 23.600 22.956 0.644 1
1 972 . 12 1 1 A 91 91 ALA N N 91 123.200 129.295 -6.095 1
1 973 . 12 1 1 A 92 92 ARG H H 92 8.370 8.366 0.004 1
1 974 . 12 1 1 A 92 92 ARG HA H 92 5.480 5.700 -0.220 1
1 982 . 12 1 1 A 92 92 ARG CA C 92 54.000 54.834 -0.834 1
1 983 . 12 1 1 A 92 92 ARG CB C 92 32.600 32.739 -0.139 1
1 986 . 12 1 1 A 92 92 ARG N N 92 119.600 119.194 0.406 1
1 988 . 12 1 1 A 93 93 VAL H H 93 8.920 8.934 -0.014 1
1 989 . 12 1 1 A 93 93 VAL HA H 93 4.510 4.957 -0.447 1
1 997 . 12 1 1 A 93 93 VAL CA C 93 61.000 59.619 1.381 1
1 998 . 12 1 1 A 93 93 VAL CB C 93 36.900 35.774 1.126 1
1 1001 . 12 1 1 A 93 93 VAL N N 93 124.100 120.304 3.796 1
1 1002 . 12 1 1 A 94 94 GLN H H 94 8.930 9.207 -0.277 1
1 1003 . 12 1 1 A 94 94 GLN HA H 94 5.400 5.046 0.354 1
1 1010 . 12 1 1 A 94 94 GLN CA C 94 53.500 54.055 -0.555 1
1 1011 . 12 1 1 A 94 94 GLN CB C 94 30.300 32.205 -1.905 1
1 1013 . 12 1 1 A 94 94 GLN N N 94 127.900 128.338 -0.438 1
1 1015 . 12 1 1 A 95 95 LEU H H 95 8.870 9.051 -0.181 1
1 1016 . 12 1 1 A 95 95 LEU HA H 95 5.390 5.223 0.167 1
1 1026 . 12 1 1 A 95 95 LEU CA C 95 53.000 53.383 -0.383 1
1 1027 . 12 1 1 A 95 95 LEU CB C 95 44.800 42.733 2.067 1
1 1031 . 12 1 1 A 95 95 LEU N N 95 126.400 128.455 -2.055 1
1 1032 . 12 1 1 A 96 96 GLU H H 96 9.300 8.891 0.409 1
1 1033 . 12 1 1 A 96 96 GLU HA H 96 5.000 4.791 0.209 1
1 1038 . 12 1 1 A 96 96 GLU CA C 96 54.300 55.160 -0.860 1
1 1039 . 12 1 1 A 96 96 GLU CB C 96 33.800 33.980 -0.180 1
1 1041 . 12 1 1 A 96 96 GLU N N 96 122.700 124.014 -1.314 1
1 1042 . 12 1 1 A 97 97 GLU H H 97 9.730 8.924 0.806 1
1 1043 . 12 1 1 A 97 97 GLU HA H 97 4.360 4.195 0.165 1
1 1048 . 12 1 1 A 97 97 GLU CA C 97 57.600 57.746 -0.146 1
1 1049 . 12 1 1 A 97 97 GLU CB C 97 30.000 29.548 0.452 1
1 1051 . 12 1 1 A 97 97 GLU N N 97 126.200 127.089 -0.889 1
1 1052 . 12 1 1 A 98 98 ARG H H 98 8.300 8.933 -0.633 1
1 1053 . 12 1 1 A 98 98 ARG HA H 98 4.180 4.284 -0.104 1
1 1061 . 12 1 1 A 98 98 ARG CA C 98 56.800 56.965 -0.165 1
1 1062 . 12 1 1 A 98 98 ARG CB C 98 30.700 29.716 0.984 1
1 1065 . 12 1 1 A 98 98 ARG N N 98 126.500 126.369 0.131 1
1 1067 . 12 1 1 A 99 99 GLN H H 99 8.810 8.806 0.004 1
1 1068 . 12 1 1 A 99 99 GLN HA H 99 4.370 4.468 -0.098 1
1 1075 . 12 1 1 A 99 99 GLN CA C 99 55.600 56.364 -0.764 1
1 1076 . 12 1 1 A 99 99 GLN CB C 99 29.500 29.027 0.473 1
1 1078 . 12 1 1 A 99 99 GLN N N 99 123.700 124.757 -1.057 1
1 1080 . 12 1 1 A 100 100 THR H H 100 8.340 8.908 -0.568 1
1 1081 . 12 1 1 A 100 100 THR HA H 100 4.330 4.846 -0.516 1
1 1086 . 12 1 1 A 100 100 THR CA C 100 61.700 61.623 0.077 1
1 1087 . 12 1 1 A 100 100 THR CB C 100 69.800 70.849 -1.049 1
1 1089 . 12 1 1 A 100 100 THR N N 100 116.700 121.491 -4.791 1
1 1090 . 12 1 1 A 101 101 VAL H H 101 8.290 8.842 -0.552 1
1 1091 . 12 1 1 A 101 101 VAL HA H 101 4.170 4.210 -0.040 1
1 1099 . 12 1 1 A 101 101 VAL CA C 101 61.900 63.086 -1.186 1
1 1100 . 12 1 1 A 101 101 VAL CB C 101 32.800 32.165 0.635 1
1 1103 . 12 1 1 A 101 101 VAL N N 101 122.900 129.850 -6.950 1
1 1104 . 12 1 1 A 102 102 SER H H 102 8.490 8.336 0.154 1
1 1105 . 12 1 1 A 102 102 SER HA H 102 4.470 5.052 -0.582 1
1 1108 . 12 1 1 A 102 102 SER CA C 102 58.000 58.093 -0.093 1
1 1109 . 12 1 1 A 102 102 SER CB C 102 63.600 64.379 -0.779 1
1 1110 . 12 1 1 A 102 102 SER N N 102 120.700 126.186 -5.486 1
1 1111 . 12 1 1 A 103 103 VAL H H 103 8.240 8.934 -0.694 1
1 1112 . 12 1 1 A 103 103 VAL HA H 103 4.420 4.711 -0.291 1
1 1120 . 12 1 1 A 103 103 VAL CA C 103 59.700 58.634 1.066 1
1 1121 . 12 1 1 A 103 103 VAL CB C 103 32.700 33.700 -1.000 1
1 1124 . 12 1 1 A 103 103 VAL N N 103 123.900 124.501 -0.601 1
1 1125 . 12 1 1 A 104 104 PRO HA H 104 4.420 4.731 -0.311 1
1 1132 . 12 1 1 A 104 104 PRO CA C 104 63.000 62.172 0.828 1
1 1133 . 12 1 1 A 104 104 PRO CB C 104 32.000 30.553 1.447 1
1 1136 . 12 1 1 A 105 105 VAL H H 105 8.340 8.669 -0.329 1
1 1137 . 12 1 1 A 105 105 VAL HA H 105 4.130 3.897 0.233 1
1 1145 . 12 1 1 A 105 105 VAL CA C 105 62.200 64.579 -2.379 1
1 1146 . 12 1 1 A 105 105 VAL CB C 105 32.600 32.683 -0.083 1
1 1149 . 12 1 1 A 105 105 VAL N N 105 121.000 125.463 -4.463 1
1 1150 . 12 1 1 A 106 106 THR H H 106 8.210 7.938 0.272 1
1 1151 . 12 1 1 A 106 106 THR HA H 106 4.380 4.174 0.206 1
1 1156 . 12 1 1 A 106 106 THR CA C 106 61.400 62.366 -0.966 1
1 1157 . 12 1 1 A 106 106 THR CB C 106 70.000 68.009 1.991 1
1 1159 . 12 1 1 A 106 106 THR N N 106 118.700 114.607 4.093 1
1 1160 . 12 1 1 A 107 107 VAL H H 107 8.280 7.932 0.348 1
1 1161 . 12 1 1 A 107 107 VAL HA H 107 4.050 4.022 0.028 1
1 1169 . 12 1 1 A 107 107 VAL CA C 107 62.600 62.215 0.385 1
1 1170 . 12 1 1 A 107 107 VAL CB C 107 32.600 32.202 0.398 1
1 1173 . 12 1 1 A 107 107 VAL N N 107 122.700 124.163 -1.463 1
1 1174 . 12 1 1 A 108 108 GLU H H 108 8.500 8.799 -0.299 1
1 1175 . 12 1 1 A 108 108 GLU HA H 108 4.230 4.540 -0.310 1
1 1180 . 12 1 1 A 108 108 GLU CA C 108 56.600 56.361 0.239 1
1 1181 . 12 1 1 A 108 108 GLU CB C 108 30.000 30.181 -0.181 1
1 1183 . 12 1 1 A 108 108 GLU N N 108 124.100 125.144 -1.044 1
1 1184 . 12 1 1 A 109 109 MET H H 109 8.570 8.983 -0.413 1
1 1185 . 12 1 1 A 109 109 MET HA H 109 4.460 5.114 -0.654 1
1 1188 . 12 1 1 A 109 109 MET CA C 109 55.300 53.868 1.432 1
1 1189 . 12 1 1 A 109 109 MET CB C 109 26.800 34.226 -7.426 1
1 1190 . 12 1 1 A 109 109 MET N N 109 121.300 125.808 -4.508 1
1 1191 . 12 1 1 A 110 110 ILE H H 110 8.280 8.992 -0.712 1
1 1192 . 12 1 1 A 110 110 ILE HA H 110 4.080 5.052 -0.972 1
1 1202 . 12 1 1 A 110 110 ILE CA C 110 61.400 58.935 2.465 1
1 1203 . 12 1 1 A 110 110 ILE CB C 110 38.700 41.487 -2.787 1
1 1207 . 12 1 1 A 110 110 ILE N N 110 122.600 118.470 4.130 1
1 1208 . 12 1 1 A 111 111 ASN H H 111 8.590 9.044 -0.454 1
1 1209 . 12 1 1 A 111 111 ASN HA H 111 4.690 5.547 -0.857 1
1 1214 . 12 1 1 A 111 111 ASN CA C 111 53.000 51.154 1.846 1
1 1215 . 12 1 1 A 111 111 ASN CB C 111 38.600 42.794 -4.194 1
1 1216 . 12 1 1 A 111 111 ASN N N 111 122.800 116.923 5.877 1
1 1218 . 12 1 1 A 112 112 LEU H H 112 8.340 8.495 -0.155 1
1 1219 . 12 1 1 A 112 112 LEU HA H 112 4.240 5.164 -0.924 1
1 1229 . 12 1 1 A 112 112 LEU CA C 112 55.400 52.761 2.639 1
1 1230 . 12 1 1 A 112 112 LEU CB C 112 42.100 46.219 -4.119 1
1 1 . 13 1 1 A 3 3 THR HA H 3 4.250 4.041 0.209 1
1 6 . 13 1 1 A 3 3 THR CA C 3 62.000 61.304 0.696 1
1 7 . 13 1 1 A 3 3 THR CB C 3 69.700 69.245 0.455 1
1 9 . 13 1 1 A 4 4 PHE H H 4 8.440 7.992 0.448 1
1 10 . 13 1 1 A 4 4 PHE HA H 4 4.650 4.524 0.126 1
1 17 . 13 1 1 A 4 4 PHE CA C 4 57.700 57.650 0.050 1
1 18 . 13 1 1 A 4 4 PHE CB C 4 39.400 39.301 0.099 1
1 21 . 13 1 1 A 4 4 PHE N N 4 122.400 124.443 -2.043 1
1 22 . 13 1 1 A 5 5 ASP H H 5 8.500 8.817 -0.317 1
1 23 . 13 1 1 A 5 5 ASP HA H 5 4.600 4.918 -0.318 1
1 26 . 13 1 1 A 5 5 ASP CA C 5 53.900 53.714 0.186 1
1 27 . 13 1 1 A 5 5 ASP CB C 5 40.700 42.587 -1.887 1
1 28 . 13 1 1 A 5 5 ASP N N 5 121.800 123.622 -1.822 1
1 29 . 13 1 1 A 6 6 HIS H H 6 8.240 8.661 -0.421 1
1 30 . 13 1 1 A 6 6 HIS HA H 6 4.780 5.201 -0.421 1
1 34 . 13 1 1 A 6 6 HIS CA C 6 55.300 54.251 1.049 1
1 35 . 13 1 1 A 6 6 HIS CB C 6 31.500 31.652 -0.152 1
1 37 . 13 1 1 A 6 6 HIS N N 6 120.400 123.201 -2.801 1
1 38 . 13 1 1 A 7 7 GLY H H 7 8.660 9.165 -0.505 1
1 39 . 13 1 1 A 7 7 GLY HA2 H 7 4.500 4.206 0.294 1
1 40 . 13 1 1 A 7 7 GLY HA3 H 7 3.580 4.211 -0.631 1
1 41 . 13 1 1 A 7 7 GLY CA C 7 44.200 43.899 0.301 1
1 42 . 13 1 1 A 7 7 GLY N N 7 109.200 106.756 2.444 1
1 43 . 13 1 1 A 8 8 ASN H H 8 8.040 8.604 -0.564 1
1 44 . 13 1 1 A 8 8 ASN HA H 8 5.500 5.718 -0.218 1
1 49 . 13 1 1 A 8 8 ASN CA C 8 52.600 51.858 0.742 1
1 50 . 13 1 1 A 8 8 ASN CB C 8 42.700 42.030 0.670 1
1 51 . 13 1 1 A 8 8 ASN N N 8 115.100 119.461 -4.361 1
1 53 . 13 1 1 A 9 9 LEU H H 9 8.850 8.583 0.267 1
1 54 . 13 1 1 A 9 9 LEU HA H 9 4.530 4.826 -0.296 1
1 64 . 13 1 1 A 9 9 LEU CA C 9 54.700 53.952 0.748 1
1 65 . 13 1 1 A 9 9 LEU CB C 9 47.000 46.221 0.779 1
1 69 . 13 1 1 A 9 9 LEU N N 9 123.500 123.508 -0.008 1
1 70 . 13 1 1 A 10 10 SER H H 10 8.850 8.886 -0.036 1
1 71 . 13 1 1 A 10 10 SER HA H 10 5.030 5.016 0.014 1
1 74 . 13 1 1 A 10 10 SER CA C 10 57.000 57.933 -0.933 1
1 75 . 13 1 1 A 10 10 SER CB C 10 63.900 65.194 -1.294 1
1 76 . 13 1 1 A 10 10 SER N N 10 121.800 122.353 -0.553 1
1 77 . 13 1 1 A 11 11 LEU H H 11 8.820 9.183 -0.363 1
1 78 . 13 1 1 A 11 11 LEU HA H 11 4.460 4.254 0.206 1
1 88 . 13 1 1 A 11 11 LEU CA C 11 54.400 55.374 -0.974 1
1 89 . 13 1 1 A 11 11 LEU CB C 11 41.900 42.459 -0.559 1
1 93 . 13 1 1 A 11 11 LEU N N 11 127.300 126.988 0.312 1
1 94 . 13 1 1 A 12 12 GLY H H 12 8.140 7.334 0.806 1
1 95 . 13 1 1 A 12 12 GLY HA2 H 12 3.720 4.118 -0.398 1
1 96 . 13 1 1 A 12 12 GLY HA3 H 12 4.080 4.140 -0.060 1
1 97 . 13 1 1 A 12 12 GLY CA C 12 44.700 44.588 0.112 1
1 98 . 13 1 1 A 12 12 GLY N N 12 108.000 106.043 1.957 1
1 99 . 13 1 1 A 13 13 GLU H H 13 8.210 8.414 -0.204 1
1 100 . 13 1 1 A 13 13 GLU HA H 13 4.560 5.081 -0.521 1
1 105 . 13 1 1 A 13 13 GLU CA C 13 55.700 56.152 -0.452 1
1 106 . 13 1 1 A 13 13 GLU CB C 13 30.300 30.215 0.085 1
1 108 . 13 1 1 A 13 13 GLU N N 13 119.000 120.997 -1.997 1
1 109 . 13 1 1 A 14 14 LEU H H 14 9.360 9.548 -0.188 1
1 110 . 13 1 1 A 14 14 LEU HA H 14 4.720 4.904 -0.184 1
1 120 . 13 1 1 A 14 14 LEU CA C 14 53.400 53.668 -0.268 1
1 121 . 13 1 1 A 14 14 LEU CB C 14 44.200 43.792 0.408 1
1 125 . 13 1 1 A 14 14 LEU N N 14 126.700 127.551 -0.851 1
1 126 . 13 1 1 A 15 15 GLU H H 15 8.680 8.623 0.057 1
1 127 . 13 1 1 A 15 15 GLU HA H 15 4.240 4.703 -0.463 1
1 132 . 13 1 1 A 15 15 GLU CA C 15 56.900 56.174 0.726 1
1 133 . 13 1 1 A 15 15 GLU CB C 15 29.900 30.527 -0.627 1
1 135 . 13 1 1 A 15 15 GLU N N 15 120.600 122.606 -2.006 1
1 136 . 13 1 1 A 16 16 LEU H H 16 7.740 8.646 -0.906 1
1 137 . 13 1 1 A 16 16 LEU HA H 16 4.360 5.063 -0.703 1
1 147 . 13 1 1 A 16 16 LEU CA C 16 54.000 53.818 0.182 1
1 148 . 13 1 1 A 16 16 LEU CB C 16 43.300 44.378 -1.078 1
1 152 . 13 1 1 A 16 16 LEU N N 16 125.200 127.600 -2.400 1
1 153 . 13 1 1 A 17 17 THR H H 17 8.500 9.642 -1.142 1
1 154 . 13 1 1 A 17 17 THR HA H 17 4.420 4.913 -0.493 1
1 159 . 13 1 1 A 17 17 THR CA C 17 63.100 61.791 1.309 1
1 160 . 13 1 1 A 17 17 THR CB C 17 69.600 70.783 -1.183 1
1 162 . 13 1 1 A 17 17 THR N N 17 127.300 123.221 4.079 1
1 163 . 13 1 1 A 18 18 VAL H H 18 8.840 9.124 -0.284 1
1 164 . 13 1 1 A 18 18 VAL HA H 18 4.490 4.836 -0.346 1
1 172 . 13 1 1 A 18 18 VAL CA C 18 61.100 61.087 0.013 1
1 173 . 13 1 1 A 18 18 VAL CB C 18 33.300 33.390 -0.090 1
1 176 . 13 1 1 A 18 18 VAL N N 18 127.000 127.465 -0.465 1
1 177 . 13 1 1 A 19 19 LEU H H 19 8.830 9.445 -0.615 1
1 178 . 13 1 1 A 19 19 LEU HA H 19 4.920 4.664 0.256 1
1 188 . 13 1 1 A 19 19 LEU CA C 19 53.400 53.897 -0.497 1
1 189 . 13 1 1 A 19 19 LEU CB C 19 41.200 41.501 -0.301 1
1 193 . 13 1 1 A 19 19 LEU N N 19 128.500 128.407 0.093 1
1 194 . 13 1 1 A 20 20 TYR H H 20 8.470 9.066 -0.596 1
1 195 . 13 1 1 A 20 20 TYR HA H 20 4.280 5.324 -1.044 1
1 202 . 13 1 1 A 20 20 TYR CA C 20 55.600 57.166 -1.566 1
1 203 . 13 1 1 A 20 20 TYR CB C 20 38.200 40.910 -2.710 1
1 206 . 13 1 1 A 20 20 TYR N N 20 120.300 118.284 2.016 1
1 207 . 13 1 1 A 21 21 ASP H H 21 8.920 7.793 1.127 1
1 208 . 13 1 1 A 21 21 ASP HA H 21 4.640 4.025 0.615 1
1 211 . 13 1 1 A 21 21 ASP CA C 21 53.000 54.343 -1.343 1
1 212 . 13 1 1 A 21 21 ASP CB C 21 39.300 39.376 -0.076 1
1 213 . 13 1 1 A 21 21 ASP N N 21 118.600 119.481 -0.881 1
1 214 . 13 1 1 A 22 22 GLU H H 22 7.930 8.341 -0.411 1
1 215 . 13 1 1 A 22 22 GLU HA H 22 4.250 4.052 0.198 1
1 220 . 13 1 1 A 22 22 GLU CA C 22 57.000 57.647 -0.647 1
1 221 . 13 1 1 A 22 22 GLU CB C 22 29.000 28.621 0.379 1
1 223 . 13 1 1 A 22 22 GLU N N 22 126.600 126.097 0.503 1
1 224 . 13 1 1 A 23 23 GLU H H 23 8.060 7.741 0.319 1
1 225 . 13 1 1 A 23 23 GLU HA H 23 4.130 4.337 -0.207 1
1 230 . 13 1 1 A 23 23 GLU CA C 23 57.800 56.689 1.111 1
1 231 . 13 1 1 A 23 23 GLU CB C 23 29.500 30.356 -0.856 1
1 233 . 13 1 1 A 23 23 GLU N N 23 117.800 119.342 -1.542 1
1 234 . 13 1 1 A 24 24 ARG H H 24 7.070 7.705 -0.635 1
1 235 . 13 1 1 A 24 24 ARG HA H 24 4.170 4.076 0.094 1
1 243 . 13 1 1 A 24 24 ARG CA C 24 56.500 57.680 -1.180 1
1 244 . 13 1 1 A 24 24 ARG CB C 24 33.500 31.029 2.471 1
1 247 . 13 1 1 A 24 24 ARG N N 24 116.700 117.881 -1.181 1
1 249 . 13 1 1 A 25 25 TYR H H 25 8.150 7.212 0.938 1
1 250 . 13 1 1 A 25 25 TYR HA H 25 5.470 5.211 0.259 1
1 257 . 13 1 1 A 25 25 TYR CA C 25 56.900 56.824 0.076 1
1 258 . 13 1 1 A 25 25 TYR CB C 25 43.100 43.305 -0.205 1
1 261 . 13 1 1 A 25 25 TYR N N 25 116.800 115.178 1.622 1
1 262 . 13 1 1 A 26 26 ASP H H 26 9.120 9.230 -0.110 1
1 263 . 13 1 1 A 26 26 ASP HA H 26 5.250 5.607 -0.357 1
1 266 . 13 1 1 A 26 26 ASP CA C 26 52.400 52.973 -0.573 1
1 267 . 13 1 1 A 26 26 ASP CB C 26 44.500 44.162 0.338 1
1 268 . 13 1 1 A 26 26 ASP N N 26 116.900 119.906 -3.006 1
1 269 . 13 1 1 A 27 27 ILE H H 27 8.640 8.963 -0.323 1
1 270 . 13 1 1 A 27 27 ILE HA H 27 4.100 4.254 -0.154 1
1 280 . 13 1 1 A 27 27 ILE CA C 27 61.400 60.892 0.508 1
1 281 . 13 1 1 A 27 27 ILE CB C 27 38.600 37.366 1.234 1
1 285 . 13 1 1 A 27 27 ILE N N 27 121.200 121.924 -0.724 1
1 286 . 13 1 1 A 28 28 VAL H H 28 8.840 8.824 0.016 1
1 287 . 13 1 1 A 28 28 VAL HA H 28 3.930 4.170 -0.240 1
1 295 . 13 1 1 A 28 28 VAL CA C 28 63.800 63.496 0.304 1
1 296 . 13 1 1 A 28 28 VAL CB C 28 32.900 33.242 -0.342 1
1 299 . 13 1 1 A 28 28 VAL N N 28 128.700 127.784 0.916 1
1 300 . 13 1 1 A 29 29 GLU H H 29 7.180 7.416 -0.236 1
1 301 . 13 1 1 A 29 29 GLU HA H 29 4.490 4.847 -0.357 1
1 306 . 13 1 1 A 29 29 GLU CA C 29 55.200 55.267 -0.067 1
1 307 . 13 1 1 A 29 29 GLU CB C 29 32.900 33.462 -0.562 1
1 309 . 13 1 1 A 29 29 GLU N N 29 116.000 119.189 -3.189 1
1 310 . 13 1 1 A 30 30 GLN H H 30 8.760 8.695 0.065 1
1 311 . 13 1 1 A 30 30 GLN HA H 30 5.450 4.933 0.517 1
1 314 . 13 1 1 A 30 30 GLN CA C 30 54.200 54.693 -0.493 1
1 315 . 13 1 1 A 30 30 GLN CB C 30 33.100 31.840 1.260 1
1 316 . 13 1 1 A 30 30 GLN N N 30 117.200 121.374 -4.174 1
1 317 . 13 1 1 A 31 31 THR H H 31 8.200 8.864 -0.664 1
1 318 . 13 1 1 A 31 31 THR HA H 31 4.160 4.643 -0.483 1
1 323 . 13 1 1 A 31 31 THR CA C 31 64.500 62.205 2.295 1
1 324 . 13 1 1 A 31 31 THR CB C 31 70.300 68.899 1.401 1
1 326 . 13 1 1 A 31 31 THR N N 31 119.400 117.747 1.653 1
1 327 . 13 1 1 A 32 32 GLU H H 32 9.230 8.970 0.260 1
1 328 . 13 1 1 A 32 32 GLU HA H 32 4.170 4.241 -0.071 1
1 333 . 13 1 1 A 32 32 GLU CA C 32 60.000 58.496 1.504 1
1 334 . 13 1 1 A 32 32 GLU CB C 32 31.000 30.268 0.732 1
1 336 . 13 1 1 A 32 32 GLU N N 32 129.600 127.045 2.555 1
1 337 . 13 1 1 A 33 33 THR H H 33 7.510 7.867 -0.357 1
1 338 . 13 1 1 A 33 33 THR HA H 33 5.320 5.324 -0.004 1
1 343 . 13 1 1 A 33 33 THR CA C 33 58.500 59.855 -1.355 1
1 344 . 13 1 1 A 33 33 THR CB C 33 73.100 71.870 1.230 1
1 346 . 13 1 1 A 33 33 THR N N 33 107.500 109.387 -1.887 1
1 347 . 13 1 1 A 34 34 VAL H H 34 8.700 8.909 -0.209 1
1 348 . 13 1 1 A 34 34 VAL HA H 34 4.670 4.858 -0.188 1
1 356 . 13 1 1 A 34 34 VAL CA C 34 59.200 60.127 -0.927 1
1 357 . 13 1 1 A 34 34 VAL CB C 34 35.200 35.481 -0.281 1
1 360 . 13 1 1 A 34 34 VAL N N 34 112.000 121.532 -9.532 1
1 361 . 13 1 1 A 35 35 GLN H H 35 8.930 8.481 0.449 1
1 362 . 13 1 1 A 35 35 GLN HA H 35 4.790 5.035 -0.245 1
1 369 . 13 1 1 A 35 35 GLN CA C 35 54.800 55.125 -0.325 1
1 370 . 13 1 1 A 35 35 GLN CB C 35 29.900 29.583 0.317 1
1 372 . 13 1 1 A 35 35 GLN N N 35 123.200 124.125 -0.925 1
1 374 . 13 1 1 A 36 36 VAL H H 36 7.940 8.407 -0.467 1
1 375 . 13 1 1 A 36 36 VAL HA H 36 4.850 4.961 -0.111 1
1 383 . 13 1 1 A 36 36 VAL CA C 36 61.300 60.664 0.636 1
1 384 . 13 1 1 A 36 36 VAL CB C 36 34.200 34.778 -0.578 1
1 387 . 13 1 1 A 36 36 VAL N N 36 124.300 123.254 1.046 1
1 388 . 13 1 1 A 37 37 ASP H H 37 8.670 9.675 -1.005 1
1 389 . 13 1 1 A 37 37 ASP HA H 37 5.240 5.355 -0.115 1
1 392 . 13 1 1 A 37 37 ASP CA C 37 53.000 52.673 0.327 1
1 393 . 13 1 1 A 37 37 ASP CB C 37 44.700 44.220 0.480 1
1 394 . 13 1 1 A 37 37 ASP N N 37 126.900 126.123 0.777 1
1 395 . 13 1 1 A 38 38 LEU H H 38 8.850 9.385 -0.535 1
1 396 . 13 1 1 A 38 38 LEU HA H 38 5.160 5.274 -0.114 1
1 406 . 13 1 1 A 38 38 LEU CA C 38 52.400 53.452 -1.052 1
1 407 . 13 1 1 A 38 38 LEU CB C 38 46.100 45.720 0.380 1
1 411 . 13 1 1 A 38 38 LEU N N 38 119.100 120.430 -1.330 1
1 412 . 13 1 1 A 39 39 GLU H H 39 8.380 8.670 -0.290 1
1 413 . 13 1 1 A 39 39 GLU HA H 39 5.210 5.183 0.027 1
1 418 . 13 1 1 A 39 39 GLU CA C 39 54.600 54.693 -0.093 1
1 419 . 13 1 1 A 39 39 GLU CB C 39 33.900 33.278 0.622 1
1 421 . 13 1 1 A 39 39 GLU N N 39 120.800 121.385 -0.585 1
1 422 . 13 1 1 A 40 40 GLY H H 40 8.110 8.084 0.026 1
1 423 . 13 1 1 A 40 40 GLY HA2 H 40 4.230 4.164 0.066 1
1 424 . 13 1 1 A 40 40 GLY HA3 H 40 3.730 4.166 -0.436 1
1 425 . 13 1 1 A 40 40 GLY CA C 40 45.000 44.477 0.523 1
1 426 . 13 1 1 A 40 40 GLY N N 40 110.000 109.092 0.908 1
1 427 . 13 1 1 A 41 41 PRO HA H 41 4.380 4.597 -0.217 1
1 434 . 13 1 1 A 41 41 PRO CA C 41 62.200 63.104 -0.904 1
1 435 . 13 1 1 A 41 41 PRO CB C 41 32.400 31.651 0.749 1
1 438 . 13 1 1 A 42 42 ARG H H 42 9.020 8.611 0.409 1
1 439 . 13 1 1 A 42 42 ARG HA H 42 3.790 3.964 -0.174 1
1 446 . 13 1 1 A 42 42 ARG CA C 42 60.400 58.834 1.566 1
1 447 . 13 1 1 A 42 42 ARG CB C 42 29.900 29.641 0.259 1
1 450 . 13 1 1 A 42 42 ARG N N 42 125.500 123.947 1.553 1
1 451 . 13 1 1 A 43 43 GLY H H 43 9.310 8.383 0.927 1
1 452 . 13 1 1 A 43 43 GLY HA2 H 43 3.890 3.724 0.166 1
1 453 . 13 1 1 A 43 43 GLY HA3 H 43 3.890 3.731 0.159 1
1 454 . 13 1 1 A 43 43 GLY CA C 43 47.000 47.523 -0.523 1
1 455 . 13 1 1 A 43 43 GLY N N 43 107.200 109.161 -1.961 1
1 456 . 13 1 1 A 44 44 VAL H H 44 6.930 7.590 -0.660 1
1 457 . 13 1 1 A 44 44 VAL HA H 44 3.800 3.785 0.015 1
1 465 . 13 1 1 A 44 44 VAL CA C 44 65.100 65.944 -0.844 1
1 466 . 13 1 1 A 44 44 VAL CB C 44 32.000 31.848 0.152 1
1 469 . 13 1 1 A 44 44 VAL N N 44 121.100 121.535 -0.435 1
1 470 . 13 1 1 A 45 45 LEU H H 45 7.830 7.696 0.134 1
1 471 . 13 1 1 A 45 45 LEU HA H 45 3.890 3.908 -0.018 1
1 481 . 13 1 1 A 45 45 LEU CA C 45 58.100 58.101 -0.001 1
1 482 . 13 1 1 A 45 45 LEU CB C 45 41.800 41.457 0.343 1
1 486 . 13 1 1 A 45 45 LEU N N 45 120.700 119.428 1.272 1
1 487 . 13 1 1 A 46 46 THR H H 46 8.340 8.379 -0.039 1
1 488 . 13 1 1 A 46 46 THR HA H 46 3.850 3.677 0.173 1
1 493 . 13 1 1 A 46 46 THR CA C 46 66.800 66.677 0.123 1
1 494 . 13 1 1 A 46 46 THR CB C 46 68.800 68.034 0.766 1
1 496 . 13 1 1 A 46 46 THR N N 46 114.900 115.739 -0.839 1
1 497 . 13 1 1 A 47 47 VAL H H 47 7.210 7.474 -0.264 1
1 498 . 13 1 1 A 47 47 VAL HA H 47 3.820 3.795 0.025 1
1 506 . 13 1 1 A 47 47 VAL CA C 47 65.600 66.569 -0.969 1
1 507 . 13 1 1 A 47 47 VAL CB C 47 31.900 31.669 0.231 1
1 510 . 13 1 1 A 47 47 VAL N N 47 119.600 121.155 -1.555 1
1 511 . 13 1 1 A 48 48 PHE H H 48 8.140 8.425 -0.285 1
1 512 . 13 1 1 A 48 48 PHE HA H 48 4.210 4.052 0.158 1
1 520 . 13 1 1 A 48 48 PHE CA C 48 61.100 61.205 -0.105 1
1 521 . 13 1 1 A 48 48 PHE CB C 48 39.200 39.149 0.051 1
1 525 . 13 1 1 A 48 48 PHE N N 48 120.600 120.494 0.106 1
1 526 . 13 1 1 A 49 49 ARG H H 49 8.150 8.049 0.101 1
1 527 . 13 1 1 A 49 49 ARG HA H 49 3.710 4.195 -0.485 1
1 534 . 13 1 1 A 49 49 ARG CA C 49 58.500 58.090 0.410 1
1 535 . 13 1 1 A 49 49 ARG CB C 49 30.000 30.303 -0.303 1
1 538 . 13 1 1 A 49 49 ARG N N 49 117.500 117.747 -0.247 1
1 539 . 13 1 1 A 50 50 PHE H H 50 7.270 7.264 0.006 1
1 540 . 13 1 1 A 50 50 PHE HA H 50 4.620 4.226 0.394 1
1 548 . 13 1 1 A 50 50 PHE CA C 50 57.700 60.145 -2.445 1
1 549 . 13 1 1 A 50 50 PHE CB C 50 39.600 39.065 0.535 1
1 553 . 13 1 1 A 50 50 PHE N N 50 115.500 116.347 -0.847 1
1 554 . 13 1 1 A 51 51 ALA H H 51 7.620 7.275 0.345 1
1 555 . 13 1 1 A 51 51 ALA HA H 51 4.320 4.379 -0.059 1
1 559 . 13 1 1 A 51 51 ALA CA C 51 51.700 51.830 -0.130 1
1 560 . 13 1 1 A 51 51 ALA CB C 51 19.300 20.735 -1.435 1
1 561 . 13 1 1 A 51 51 ALA N N 51 124.200 121.281 2.919 1
1 562 . 13 1 1 A 52 52 ARG H H 52 8.570 8.274 0.296 1
1 563 . 13 1 1 A 52 52 ARG HA H 52 4.270 4.666 -0.396 1
1 570 . 13 1 1 A 52 52 ARG CA C 52 54.700 53.841 0.859 1
1 571 . 13 1 1 A 52 52 ARG CB C 52 29.300 29.416 -0.116 1
1 574 . 13 1 1 A 52 52 ARG N N 52 123.500 119.075 4.425 1
1 575 . 13 1 1 A 53 53 PRO HA H 53 4.240 3.643 0.597 1
1 582 . 13 1 1 A 53 53 PRO CA C 53 63.600 62.959 0.641 1
1 583 . 13 1 1 A 53 53 PRO CB C 53 31.600 31.718 -0.118 1
1 586 . 13 1 1 A 54 54 SER H H 54 8.100 8.440 -0.340 1
1 587 . 13 1 1 A 54 54 SER HA H 54 4.390 4.696 -0.306 1
1 590 . 13 1 1 A 54 54 SER CA C 54 57.200 57.536 -0.336 1
1 591 . 13 1 1 A 54 54 SER CB C 54 63.100 64.924 -1.824 1
1 592 . 13 1 1 A 54 54 SER N N 54 117.200 117.136 0.064 1
1 593 . 13 1 1 A 55 55 TYR H H 55 6.640 6.821 -0.181 1
1 594 . 13 1 1 A 55 55 TYR HA H 55 5.030 5.010 0.020 1
1 601 . 13 1 1 A 55 55 TYR CA C 55 53.900 56.642 -2.742 1
1 602 . 13 1 1 A 55 55 TYR CB C 55 39.200 40.556 -1.356 1
1 605 . 13 1 1 A 55 55 TYR N N 55 119.200 119.388 -0.188 1
1 606 . 13 1 1 A 56 56 GLU H H 56 8.890 8.838 0.052 1
1 607 . 13 1 1 A 56 56 GLU HA H 56 4.740 5.202 -0.462 1
1 612 . 13 1 1 A 56 56 GLU CA C 56 55.700 55.133 0.567 1
1 613 . 13 1 1 A 56 56 GLU CB C 56 35.000 33.783 1.217 1
1 615 . 13 1 1 A 56 56 GLU N N 56 118.800 123.673 -4.873 1
1 616 . 13 1 1 A 57 57 VAL H H 57 8.830 8.705 0.125 1
1 617 . 13 1 1 A 57 57 VAL HA H 57 5.370 4.961 0.409 1
1 625 . 13 1 1 A 57 57 VAL CA C 57 59.900 61.283 -1.383 1
1 626 . 13 1 1 A 57 57 VAL CB C 57 33.300 34.150 -0.850 1
1 629 . 13 1 1 A 57 57 VAL N N 57 117.800 121.994 -4.194 1
1 630 . 13 1 1 A 58 58 PHE H H 58 8.870 8.424 0.446 1
1 631 . 13 1 1 A 58 58 PHE HA H 58 6.090 6.004 0.086 1
1 634 . 13 1 1 A 58 58 PHE CA C 58 55.600 55.782 -0.182 1
1 635 . 13 1 1 A 58 58 PHE CB C 58 42.700 42.275 0.425 1
1 636 . 13 1 1 A 58 58 PHE N N 58 120.600 122.805 -2.205 1
1 637 . 13 1 1 A 59 59 VAL H H 59 8.270 8.610 -0.340 1
1 638 . 13 1 1 A 59 59 VAL HA H 59 4.730 4.907 -0.177 1
1 646 . 13 1 1 A 59 59 VAL CA C 59 58.500 59.569 -1.069 1
1 647 . 13 1 1 A 59 59 VAL CB C 59 34.800 35.670 -0.870 1
1 650 . 13 1 1 A 59 59 VAL N N 59 108.700 116.941 -8.241 1
1 651 . 13 1 1 A 60 60 ASP H H 60 9.360 8.926 0.434 1
1 652 . 13 1 1 A 60 60 ASP HA H 60 5.080 5.303 -0.223 1
1 655 . 13 1 1 A 60 60 ASP CA C 60 52.700 53.038 -0.338 1
1 656 . 13 1 1 A 60 60 ASP CB C 60 41.100 42.079 -0.979 1
1 657 . 13 1 1 A 60 60 ASP N N 60 123.000 124.861 -1.861 1
1 658 . 13 1 1 A 61 61 LEU H H 61 9.230 9.347 -0.117 1
1 659 . 13 1 1 A 61 61 LEU HA H 61 4.670 4.939 -0.269 1
1 669 . 13 1 1 A 61 61 LEU CA C 61 53.300 53.675 -0.375 1
1 670 . 13 1 1 A 61 61 LEU CB C 61 40.900 44.380 -3.480 1
1 674 . 13 1 1 A 61 61 LEU N N 61 128.600 127.997 0.603 1
1 675 . 13 1 1 A 62 62 THR H H 62 8.720 8.647 0.073 1
1 676 . 13 1 1 A 62 62 THR HA H 62 3.590 4.588 -0.998 1
1 681 . 13 1 1 A 62 62 THR CA C 62 67.000 62.608 4.392 1
1 682 . 13 1 1 A 62 62 THR CB C 62 69.100 69.767 -0.667 1
1 684 . 13 1 1 A 62 62 THR N N 62 115.800 116.086 -0.286 1
1 685 . 13 1 1 A 63 63 GLU H H 63 8.490 7.975 0.515 1
1 686 . 13 1 1 A 63 63 GLU HA H 63 4.530 4.660 -0.130 1
1 691 . 13 1 1 A 63 63 GLU CA C 63 55.100 56.438 -1.338 1
1 692 . 13 1 1 A 63 63 GLU CB C 63 29.200 31.533 -2.333 1
1 694 . 13 1 1 A 63 63 GLU N N 63 118.800 119.512 -0.712 1
1 695 . 13 1 1 A 64 64 ALA H H 64 7.100 7.433 -0.333 1
1 696 . 13 1 1 A 64 64 ALA HA H 64 4.130 3.872 0.258 1
1 700 . 13 1 1 A 64 64 ALA CA C 64 51.500 52.916 -1.416 1
1 701 . 13 1 1 A 64 64 ALA CB C 64 20.900 18.897 2.003 1
1 702 . 13 1 1 A 64 64 ALA N N 64 123.700 122.140 1.560 1
1 703 . 13 1 1 A 65 65 GLY H H 65 7.800 8.388 -0.588 1
1 704 . 13 1 1 A 65 65 GLY HA2 H 65 4.180 3.422 0.758 1
1 705 . 13 1 1 A 65 65 GLY HA3 H 65 3.540 3.577 -0.037 1
1 706 . 13 1 1 A 65 65 GLY CA C 65 42.600 45.522 -2.922 1
1 707 . 13 1 1 A 65 65 GLY N N 65 106.800 110.986 -4.186 1
1 708 . 13 1 1 A 66 66 GLU H H 66 8.490 7.973 0.517 1
1 709 . 13 1 1 A 66 66 GLU HA H 66 3.750 3.992 -0.242 1
1 714 . 13 1 1 A 66 66 GLU CA C 66 57.400 58.637 -1.237 1
1 715 . 13 1 1 A 66 66 GLU CB C 66 30.300 29.740 0.560 1
1 717 . 13 1 1 A 66 66 GLU N N 66 119.900 120.547 -0.647 1
1 718 . 13 1 1 A 67 67 GLY H H 67 8.470 8.810 -0.340 1
1 719 . 13 1 1 A 67 67 GLY HA2 H 67 3.770 3.825 -0.055 1
1 720 . 13 1 1 A 67 67 GLY HA3 H 67 4.390 3.830 0.560 1
1 721 . 13 1 1 A 67 67 GLY CA C 67 43.400 47.256 -3.856 1
1 722 . 13 1 1 A 67 67 GLY N N 67 110.800 111.755 -0.955 1
1 723 . 13 1 1 A 68 68 SER H H 68 8.250 8.409 -0.159 1
1 724 . 13 1 1 A 68 68 SER HA H 68 4.610 5.309 -0.699 1
1 727 . 13 1 1 A 68 68 SER CA C 68 57.700 56.951 0.749 1
1 728 . 13 1 1 A 68 68 SER CB C 68 63.300 65.715 -2.415 1
1 729 . 13 1 1 A 68 68 SER N N 68 114.500 118.388 -3.888 1
1 730 . 13 1 1 A 69 69 HIS H H 69 8.780 9.261 -0.481 1
1 731 . 13 1 1 A 69 69 HIS HA H 69 4.790 5.326 -0.536 1
1 734 . 13 1 1 A 69 69 HIS CA C 69 55.300 54.017 1.283 1
1 735 . 13 1 1 A 69 69 HIS CB C 69 33.900 32.156 1.744 1
1 736 . 13 1 1 A 69 69 HIS N N 69 125.400 126.864 -1.464 1
1 737 . 13 1 1 A 70 70 THR H H 70 8.870 8.656 0.214 1
1 738 . 13 1 1 A 70 70 THR HA H 70 5.380 5.535 -0.155 1
1 743 . 13 1 1 A 70 70 THR CA C 70 61.600 61.938 -0.338 1
1 744 . 13 1 1 A 70 70 THR CB C 70 69.400 69.540 -0.140 1
1 746 . 13 1 1 A 70 70 THR N N 70 121.200 122.809 -1.609 1
1 747 . 13 1 1 A 71 71 VAL H H 71 8.860 8.901 -0.041 1
1 748 . 13 1 1 A 71 71 VAL HA H 71 4.730 4.943 -0.213 1
1 756 . 13 1 1 A 71 71 VAL CA C 71 58.900 58.772 0.128 1
1 757 . 13 1 1 A 71 71 VAL CB C 71 36.000 35.270 0.730 1
1 760 . 13 1 1 A 71 71 VAL N N 71 122.100 120.509 1.591 1
1 761 . 13 1 1 A 72 72 ASP H H 72 8.610 8.459 0.151 1
1 762 . 13 1 1 A 72 72 ASP HA H 72 4.660 4.978 -0.318 1
1 765 . 13 1 1 A 72 72 ASP CA C 72 55.500 53.423 2.077 1
1 766 . 13 1 1 A 72 72 ASP CB C 72 40.800 41.541 -0.741 1
1 767 . 13 1 1 A 72 72 ASP N N 72 124.300 121.224 3.076 1
1 768 . 13 1 1 A 73 73 VAL H H 73 8.090 8.521 -0.431 1
1 769 . 13 1 1 A 73 73 VAL HA H 73 3.770 4.346 -0.576 1
1 777 . 13 1 1 A 73 73 VAL CA C 73 63.600 61.526 2.074 1
1 778 . 13 1 1 A 73 73 VAL CB C 73 31.600 32.980 -1.380 1
1 781 . 13 1 1 A 73 73 VAL N N 73 121.400 123.345 -1.945 1
1 782 . 13 1 1 A 74 74 GLU H H 74 8.900 8.368 0.532 1
1 783 . 13 1 1 A 74 74 GLU HA H 74 4.370 4.484 -0.114 1
1 788 . 13 1 1 A 74 74 GLU CA C 74 54.700 55.271 -0.571 1
1 789 . 13 1 1 A 74 74 GLU CB C 74 33.300 31.674 1.626 1
1 791 . 13 1 1 A 74 74 GLU N N 74 129.600 126.904 2.696 1
1 792 . 13 1 1 A 75 75 HIS H H 75 7.940 8.637 -0.697 1
1 793 . 13 1 1 A 75 75 HIS HA H 75 5.830 5.074 0.756 1
1 796 . 13 1 1 A 75 75 HIS CA C 75 54.100 53.857 0.243 1
1 797 . 13 1 1 A 75 75 HIS CB C 75 39.500 33.683 5.817 1
1 798 . 13 1 1 A 75 75 HIS N N 75 112.800 119.239 -6.439 1
1 799 . 13 1 1 A 76 76 ARG H H 76 9.210 8.365 0.845 1
1 800 . 13 1 1 A 76 76 ARG HA H 76 5.170 4.657 0.513 1
1 805 . 13 1 1 A 76 76 ARG CA C 76 55.300 54.592 0.708 1
1 806 . 13 1 1 A 76 76 ARG CB C 76 33.400 33.907 -0.507 1
1 808 . 13 1 1 A 76 76 ARG N N 76 117.100 119.710 -2.610 1
1 809 . 13 1 1 A 77 77 GLY H H 77 8.740 8.379 0.361 1
1 810 . 13 1 1 A 77 77 GLY HA2 H 77 4.410 4.132 0.278 1
1 811 . 13 1 1 A 77 77 GLY HA3 H 77 3.670 4.230 -0.560 1
1 812 . 13 1 1 A 77 77 GLY CA C 77 45.400 45.789 -0.389 1
1 813 . 13 1 1 A 77 77 GLY N N 77 107.400 111.009 -3.609 1
1 814 . 13 1 1 A 78 78 PHE H H 78 7.920 7.744 0.176 1
1 815 . 13 1 1 A 78 78 PHE HA H 78 4.450 4.792 -0.342 1
1 823 . 13 1 1 A 78 78 PHE CA C 78 54.200 54.926 -0.726 1
1 824 . 13 1 1 A 78 78 PHE CB C 78 41.000 39.995 1.005 1
1 828 . 13 1 1 A 78 78 PHE N N 78 120.200 119.273 0.927 1
1 829 . 13 1 1 A 79 79 PRO HA H 79 4.470 4.736 -0.266 1
1 836 . 13 1 1 A 79 79 PRO CA C 79 63.300 61.993 1.307 1
1 837 . 13 1 1 A 79 79 PRO CB C 79 32.200 33.235 -1.035 1
1 840 . 13 1 1 A 80 80 GLY H H 80 8.820 8.480 0.340 1
1 841 . 13 1 1 A 80 80 GLY HA2 H 80 4.020 3.984 0.036 1
1 842 . 13 1 1 A 80 80 GLY HA3 H 80 3.890 4.012 -0.122 1
1 843 . 13 1 1 A 80 80 GLY CA C 80 46.600 45.538 1.062 1
1 844 . 13 1 1 A 80 80 GLY N N 80 110.100 106.349 3.751 1
1 845 . 13 1 1 A 81 81 ASP H H 81 8.360 7.937 0.423 1
1 846 . 13 1 1 A 81 81 ASP HA H 81 4.560 4.486 0.074 1
1 849 . 13 1 1 A 81 81 ASP CA C 81 53.800 56.506 -2.706 1
1 850 . 13 1 1 A 81 81 ASP CB C 81 40.300 41.528 -1.228 1
1 851 . 13 1 1 A 81 81 ASP N N 81 114.800 119.602 -4.802 1
1 852 . 13 1 1 A 82 82 LEU H H 82 7.400 7.631 -0.231 1
1 853 . 13 1 1 A 82 82 LEU HA H 82 4.720 4.547 0.173 1
1 863 . 13 1 1 A 82 82 LEU CA C 82 52.800 53.975 -1.175 1
1 864 . 13 1 1 A 82 82 LEU CB C 82 42.900 42.457 0.443 1
1 868 . 13 1 1 A 82 82 LEU N N 82 115.500 118.967 -3.467 1
1 869 . 13 1 1 A 83 83 ALA H H 83 8.930 8.500 0.430 1
1 870 . 13 1 1 A 83 83 ALA HA H 83 4.530 4.588 -0.058 1
1 874 . 13 1 1 A 83 83 ALA CA C 83 50.900 51.373 -0.473 1
1 875 . 13 1 1 A 83 83 ALA CB C 83 19.600 19.143 0.457 1
1 876 . 13 1 1 A 83 83 ALA N N 83 124.900 123.955 0.945 1
1 877 . 13 1 1 A 84 84 VAL H H 84 8.570 8.878 -0.308 1
1 878 . 13 1 1 A 84 84 VAL HA H 84 3.930 4.435 -0.505 1
1 886 . 13 1 1 A 84 84 VAL CA C 84 61.300 61.590 -0.290 1
1 887 . 13 1 1 A 84 84 VAL CB C 84 32.800 32.031 0.769 1
1 890 . 13 1 1 A 84 84 VAL N N 84 126.800 124.197 2.603 1
1 891 . 13 1 1 A 85 85 THR H H 85 9.000 9.161 -0.161 1
1 892 . 13 1 1 A 85 85 THR HA H 85 4.440 5.098 -0.658 1
1 897 . 13 1 1 A 85 85 THR CA C 85 61.900 61.526 0.374 1
1 898 . 13 1 1 A 85 85 THR CB C 85 70.100 70.450 -0.350 1
1 900 . 13 1 1 A 85 85 THR N N 85 125.500 123.702 1.798 1
1 901 . 13 1 1 A 86 86 VAL H H 86 8.280 8.770 -0.490 1
1 902 . 13 1 1 A 86 86 VAL HA H 86 5.010 5.144 -0.134 1
1 910 . 13 1 1 A 86 86 VAL CA C 86 59.300 59.904 -0.604 1
1 911 . 13 1 1 A 86 86 VAL CB C 86 33.700 36.277 -2.577 1
1 914 . 13 1 1 A 86 86 VAL N N 86 123.200 124.517 -1.317 1
1 915 . 13 1 1 A 87 87 GLU H H 87 8.560 8.311 0.249 1
1 916 . 13 1 1 A 87 87 GLU HA H 87 4.720 4.842 -0.122 1
1 921 . 13 1 1 A 87 87 GLU CA C 87 52.400 53.832 -1.432 1
1 922 . 13 1 1 A 87 87 GLU CB C 87 33.600 30.547 3.053 1
1 924 . 13 1 1 A 87 87 GLU N N 87 124.400 124.949 -0.549 1
1 925 . 13 1 1 A 88 88 PRO HA H 88 4.770 4.916 -0.146 1
1 932 . 13 1 1 A 88 88 PRO CA C 88 62.800 61.820 0.980 1
1 933 . 13 1 1 A 88 88 PRO CB C 88 34.300 32.539 1.761 1
1 936 . 13 1 1 A 89 89 ARG H H 89 8.200 9.064 -0.864 1
1 937 . 13 1 1 A 89 89 ARG HA H 89 4.050 4.300 -0.250 1
1 945 . 13 1 1 A 89 89 ARG CA C 89 57.300 57.291 0.009 1
1 946 . 13 1 1 A 89 89 ARG CB C 89 30.700 31.466 -0.766 1
1 949 . 13 1 1 A 89 89 ARG N N 89 114.400 119.692 -5.292 1
1 951 . 13 1 1 A 90 90 MET H H 90 7.750 7.806 -0.056 1
1 952 . 13 1 1 A 90 90 MET HA H 90 5.060 4.915 0.145 1
1 960 . 13 1 1 A 90 90 MET CA C 90 53.700 54.433 -0.733 1
1 961 . 13 1 1 A 90 90 MET CB C 90 34.700 37.532 -2.832 1
1 964 . 13 1 1 A 90 90 MET N N 90 115.900 117.483 -1.583 1
1 965 . 13 1 1 A 91 91 ALA H H 91 9.020 9.407 -0.387 1
1 966 . 13 1 1 A 91 91 ALA HA H 91 4.640 5.332 -0.692 1
1 970 . 13 1 1 A 91 91 ALA CA C 91 49.300 50.088 -0.788 1
1 971 . 13 1 1 A 91 91 ALA CB C 91 23.600 22.863 0.737 1
1 972 . 13 1 1 A 91 91 ALA N N 91 123.200 123.575 -0.375 1
1 973 . 13 1 1 A 92 92 ARG H H 92 8.370 8.269 0.101 1
1 974 . 13 1 1 A 92 92 ARG HA H 92 5.480 5.063 0.417 1
1 982 . 13 1 1 A 92 92 ARG CA C 92 54.000 54.752 -0.752 1
1 983 . 13 1 1 A 92 92 ARG CB C 92 32.600 33.116 -0.516 1
1 986 . 13 1 1 A 92 92 ARG N N 92 119.600 121.837 -2.237 1
1 988 . 13 1 1 A 93 93 VAL H H 93 8.920 8.934 -0.014 1
1 989 . 13 1 1 A 93 93 VAL HA H 93 4.510 4.762 -0.252 1
1 997 . 13 1 1 A 93 93 VAL CA C 93 61.000 60.784 0.216 1
1 998 . 13 1 1 A 93 93 VAL CB C 93 36.900 35.498 1.402 1
1 1001 . 13 1 1 A 93 93 VAL N N 93 124.100 126.119 -2.019 1
1 1002 . 13 1 1 A 94 94 GLN H H 94 8.930 9.321 -0.391 1
1 1003 . 13 1 1 A 94 94 GLN HA H 94 5.400 4.979 0.421 1
1 1010 . 13 1 1 A 94 94 GLN CA C 94 53.500 54.102 -0.602 1
1 1011 . 13 1 1 A 94 94 GLN CB C 94 30.300 32.071 -1.771 1
1 1013 . 13 1 1 A 94 94 GLN N N 94 127.900 127.844 0.056 1
1 1015 . 13 1 1 A 95 95 LEU H H 95 8.870 9.036 -0.166 1
1 1016 . 13 1 1 A 95 95 LEU HA H 95 5.390 5.207 0.183 1
1 1026 . 13 1 1 A 95 95 LEU CA C 95 53.000 53.275 -0.275 1
1 1027 . 13 1 1 A 95 95 LEU CB C 95 44.800 43.472 1.328 1
1 1031 . 13 1 1 A 95 95 LEU N N 95 126.400 128.030 -1.630 1
1 1032 . 13 1 1 A 96 96 GLU H H 96 9.300 9.216 0.084 1
1 1033 . 13 1 1 A 96 96 GLU HA H 96 5.000 4.919 0.081 1
1 1038 . 13 1 1 A 96 96 GLU CA C 96 54.300 54.552 -0.252 1
1 1039 . 13 1 1 A 96 96 GLU CB C 96 33.800 33.473 0.327 1
1 1041 . 13 1 1 A 96 96 GLU N N 96 122.700 125.301 -2.601 1
1 1042 . 13 1 1 A 97 97 GLU H H 97 9.730 8.804 0.926 1
1 1043 . 13 1 1 A 97 97 GLU HA H 97 4.360 4.285 0.075 1
1 1048 . 13 1 1 A 97 97 GLU CA C 97 57.600 57.798 -0.198 1
1 1049 . 13 1 1 A 97 97 GLU CB C 97 30.000 29.530 0.470 1
1 1051 . 13 1 1 A 97 97 GLU N N 97 126.200 127.273 -1.073 1
1 1052 . 13 1 1 A 98 98 ARG H H 98 8.300 9.002 -0.702 1
1 1053 . 13 1 1 A 98 98 ARG HA H 98 4.180 4.253 -0.073 1
1 1061 . 13 1 1 A 98 98 ARG CA C 98 56.800 57.024 -0.224 1
1 1062 . 13 1 1 A 98 98 ARG CB C 98 30.700 29.517 1.183 1
1 1065 . 13 1 1 A 98 98 ARG N N 98 126.500 126.822 -0.322 1
1 1067 . 13 1 1 A 99 99 GLN H H 99 8.810 8.469 0.341 1
1 1068 . 13 1 1 A 99 99 GLN HA H 99 4.370 4.237 0.133 1
1 1075 . 13 1 1 A 99 99 GLN CA C 99 55.600 56.900 -1.300 1
1 1076 . 13 1 1 A 99 99 GLN CB C 99 29.500 29.583 -0.083 1
1 1078 . 13 1 1 A 99 99 GLN N N 99 123.700 125.266 -1.566 1
1 1080 . 13 1 1 A 100 100 THR H H 100 8.340 8.456 -0.116 1
1 1081 . 13 1 1 A 100 100 THR HA H 100 4.330 4.740 -0.410 1
1 1086 . 13 1 1 A 100 100 THR CA C 100 61.700 60.871 0.829 1
1 1087 . 13 1 1 A 100 100 THR CB C 100 69.800 70.199 -0.399 1
1 1089 . 13 1 1 A 100 100 THR N N 100 116.700 115.964 0.736 1
1 1090 . 13 1 1 A 101 101 VAL H H 101 8.290 8.485 -0.195 1
1 1091 . 13 1 1 A 101 101 VAL HA H 101 4.170 3.844 0.326 1
1 1099 . 13 1 1 A 101 101 VAL CA C 101 61.900 63.716 -1.816 1
1 1100 . 13 1 1 A 101 101 VAL CB C 101 32.800 32.052 0.748 1
1 1103 . 13 1 1 A 101 101 VAL N N 101 122.900 120.767 2.133 1
1 1104 . 13 1 1 A 102 102 SER H H 102 8.490 8.627 -0.137 1
1 1105 . 13 1 1 A 102 102 SER HA H 102 4.470 4.659 -0.189 1
1 1108 . 13 1 1 A 102 102 SER CA C 102 58.000 58.040 -0.040 1
1 1109 . 13 1 1 A 102 102 SER CB C 102 63.600 61.491 2.109 1
1 1110 . 13 1 1 A 102 102 SER N N 102 120.700 123.777 -3.077 1
1 1111 . 13 1 1 A 103 103 VAL H H 103 8.240 8.504 -0.264 1
1 1112 . 13 1 1 A 103 103 VAL HA H 103 4.420 4.728 -0.308 1
1 1120 . 13 1 1 A 103 103 VAL CA C 103 59.700 58.838 0.862 1
1 1121 . 13 1 1 A 103 103 VAL CB C 103 32.700 33.570 -0.870 1
1 1124 . 13 1 1 A 103 103 VAL N N 103 123.900 125.853 -1.953 1
1 1125 . 13 1 1 A 104 104 PRO HA H 104 4.420 4.847 -0.427 1
1 1132 . 13 1 1 A 104 104 PRO CA C 104 63.000 62.312 0.688 1
1 1133 . 13 1 1 A 104 104 PRO CB C 104 32.000 30.510 1.490 1
1 1136 . 13 1 1 A 105 105 VAL H H 105 8.340 8.520 -0.180 1
1 1137 . 13 1 1 A 105 105 VAL HA H 105 4.130 4.628 -0.498 1
1 1145 . 13 1 1 A 105 105 VAL CA C 105 62.200 60.328 1.872 1
1 1146 . 13 1 1 A 105 105 VAL CB C 105 32.600 34.742 -2.142 1
1 1149 . 13 1 1 A 105 105 VAL N N 105 121.000 123.488 -2.488 1
1 1150 . 13 1 1 A 106 106 THR H H 106 8.210 8.964 -0.754 1
1 1151 . 13 1 1 A 106 106 THR HA H 106 4.380 4.885 -0.505 1
1 1156 . 13 1 1 A 106 106 THR CA C 106 61.400 61.782 -0.382 1
1 1157 . 13 1 1 A 106 106 THR CB C 106 70.000 68.243 1.757 1
1 1159 . 13 1 1 A 106 106 THR N N 106 118.700 125.206 -6.506 1
1 1160 . 13 1 1 A 107 107 VAL H H 107 8.280 8.511 -0.231 1
1 1161 . 13 1 1 A 107 107 VAL HA H 107 4.050 4.619 -0.569 1
1 1169 . 13 1 1 A 107 107 VAL CA C 107 62.600 61.324 1.276 1
1 1170 . 13 1 1 A 107 107 VAL CB C 107 32.600 31.890 0.710 1
1 1173 . 13 1 1 A 107 107 VAL N N 107 122.700 122.933 -0.233 1
1 1174 . 13 1 1 A 108 108 GLU H H 108 8.500 8.943 -0.443 1
1 1175 . 13 1 1 A 108 108 GLU HA H 108 4.230 4.779 -0.549 1
1 1180 . 13 1 1 A 108 108 GLU CA C 108 56.600 55.289 1.311 1
1 1181 . 13 1 1 A 108 108 GLU CB C 108 30.000 30.565 -0.565 1
1 1183 . 13 1 1 A 108 108 GLU N N 108 124.100 128.772 -4.672 1
1 1184 . 13 1 1 A 109 109 MET H H 109 8.570 8.567 0.003 1
1 1185 . 13 1 1 A 109 109 MET HA H 109 4.460 5.166 -0.706 1
1 1188 . 13 1 1 A 109 109 MET CA C 109 55.300 54.592 0.708 1
1 1189 . 13 1 1 A 109 109 MET CB C 109 26.800 33.049 -6.249 1
1 1190 . 13 1 1 A 109 109 MET N N 109 121.300 124.140 -2.840 1
1 1191 . 13 1 1 A 110 110 ILE H H 110 8.280 9.099 -0.819 1
1 1192 . 13 1 1 A 110 110 ILE HA H 110 4.080 4.869 -0.789 1
1 1202 . 13 1 1 A 110 110 ILE CA C 110 61.400 60.139 1.261 1
1 1203 . 13 1 1 A 110 110 ILE CB C 110 38.700 40.353 -1.653 1
1 1207 . 13 1 1 A 110 110 ILE N N 110 122.600 126.187 -3.587 1
1 1208 . 13 1 1 A 111 111 ASN H H 111 8.590 8.995 -0.405 1
1 1209 . 13 1 1 A 111 111 ASN HA H 111 4.690 5.408 -0.718 1
1 1214 . 13 1 1 A 111 111 ASN CA C 111 53.000 52.080 0.920 1
1 1215 . 13 1 1 A 111 111 ASN CB C 111 38.600 41.242 -2.642 1
1 1216 . 13 1 1 A 111 111 ASN N N 111 122.800 128.619 -5.819 1
1 1218 . 13 1 1 A 112 112 LEU H H 112 8.340 8.875 -0.535 1
1 1219 . 13 1 1 A 112 112 LEU HA H 112 4.240 5.040 -0.800 1
1 1229 . 13 1 1 A 112 112 LEU CA C 112 55.400 52.925 2.475 1
1 1230 . 13 1 1 A 112 112 LEU CB C 112 42.100 43.827 -1.727 1
1 1 . 14 1 1 A 3 3 THR HA H 3 4.250 4.947 -0.697 1
1 6 . 14 1 1 A 3 3 THR CA C 3 62.000 60.978 1.022 1
1 7 . 14 1 1 A 3 3 THR CB C 3 69.700 72.580 -2.880 1
1 9 . 14 1 1 A 4 4 PHE H H 4 8.440 8.542 -0.102 1
1 10 . 14 1 1 A 4 4 PHE HA H 4 4.650 4.932 -0.282 1
1 17 . 14 1 1 A 4 4 PHE CA C 4 57.700 55.461 2.239 1
1 18 . 14 1 1 A 4 4 PHE CB C 4 39.400 40.255 -0.855 1
1 21 . 14 1 1 A 4 4 PHE N N 4 122.400 121.779 0.621 1
1 22 . 14 1 1 A 5 5 ASP H H 5 8.500 9.013 -0.513 1
1 23 . 14 1 1 A 5 5 ASP HA H 5 4.600 4.852 -0.252 1
1 26 . 14 1 1 A 5 5 ASP CA C 5 53.900 53.126 0.774 1
1 27 . 14 1 1 A 5 5 ASP CB C 5 40.700 39.747 0.953 1
1 28 . 14 1 1 A 5 5 ASP N N 5 121.800 123.052 -1.252 1
1 29 . 14 1 1 A 6 6 HIS H H 6 8.240 9.018 -0.778 1
1 30 . 14 1 1 A 6 6 HIS HA H 6 4.780 5.618 -0.838 1
1 34 . 14 1 1 A 6 6 HIS CA C 6 55.300 53.770 1.530 1
1 35 . 14 1 1 A 6 6 HIS CB C 6 31.500 33.081 -1.581 1
1 37 . 14 1 1 A 6 6 HIS N N 6 120.400 124.905 -4.505 1
1 38 . 14 1 1 A 7 7 GLY H H 7 8.660 8.670 -0.010 1
1 39 . 14 1 1 A 7 7 GLY HA2 H 7 4.500 4.176 0.324 1
1 40 . 14 1 1 A 7 7 GLY HA3 H 7 3.580 4.204 -0.624 1
1 41 . 14 1 1 A 7 7 GLY CA C 7 44.200 45.316 -1.116 1
1 42 . 14 1 1 A 7 7 GLY N N 7 109.200 111.915 -2.715 1
1 43 . 14 1 1 A 8 8 ASN H H 8 8.040 8.715 -0.675 1
1 44 . 14 1 1 A 8 8 ASN HA H 8 5.500 5.798 -0.298 1
1 49 . 14 1 1 A 8 8 ASN CA C 8 52.600 51.517 1.083 1
1 50 . 14 1 1 A 8 8 ASN CB C 8 42.700 42.563 0.137 1
1 51 . 14 1 1 A 8 8 ASN N N 8 115.100 118.214 -3.114 1
1 53 . 14 1 1 A 9 9 LEU H H 9 8.850 8.331 0.519 1
1 54 . 14 1 1 A 9 9 LEU HA H 9 4.530 4.647 -0.117 1
1 64 . 14 1 1 A 9 9 LEU CA C 9 54.700 54.485 0.215 1
1 65 . 14 1 1 A 9 9 LEU CB C 9 47.000 45.882 1.118 1
1 69 . 14 1 1 A 9 9 LEU N N 9 123.500 123.111 0.389 1
1 70 . 14 1 1 A 10 10 SER H H 10 8.850 8.638 0.212 1
1 71 . 14 1 1 A 10 10 SER HA H 10 5.030 4.995 0.035 1
1 74 . 14 1 1 A 10 10 SER CA C 10 57.000 56.709 0.291 1
1 75 . 14 1 1 A 10 10 SER CB C 10 63.900 64.168 -0.268 1
1 76 . 14 1 1 A 10 10 SER N N 10 121.800 118.370 3.430 1
1 77 . 14 1 1 A 11 11 LEU H H 11 8.820 8.799 0.021 1
1 78 . 14 1 1 A 11 11 LEU HA H 11 4.460 4.188 0.272 1
1 88 . 14 1 1 A 11 11 LEU CA C 11 54.400 56.661 -2.261 1
1 89 . 14 1 1 A 11 11 LEU CB C 11 41.900 42.889 -0.989 1
1 93 . 14 1 1 A 11 11 LEU N N 11 127.300 126.205 1.095 1
1 94 . 14 1 1 A 12 12 GLY H H 12 8.140 7.082 1.058 1
1 95 . 14 1 1 A 12 12 GLY HA2 H 12 3.720 4.070 -0.350 1
1 96 . 14 1 1 A 12 12 GLY HA3 H 12 4.080 4.090 -0.010 1
1 97 . 14 1 1 A 12 12 GLY CA C 12 44.700 43.994 0.706 1
1 98 . 14 1 1 A 12 12 GLY N N 12 108.000 105.306 2.694 1
1 99 . 14 1 1 A 13 13 GLU H H 13 8.210 8.343 -0.133 1
1 100 . 14 1 1 A 13 13 GLU HA H 13 4.560 5.026 -0.466 1
1 105 . 14 1 1 A 13 13 GLU CA C 13 55.700 55.768 -0.068 1
1 106 . 14 1 1 A 13 13 GLU CB C 13 30.300 30.348 -0.048 1
1 108 . 14 1 1 A 13 13 GLU N N 13 119.000 119.167 -0.167 1
1 109 . 14 1 1 A 14 14 LEU H H 14 9.360 9.298 0.062 1
1 110 . 14 1 1 A 14 14 LEU HA H 14 4.720 4.886 -0.166 1
1 120 . 14 1 1 A 14 14 LEU CA C 14 53.400 53.485 -0.085 1
1 121 . 14 1 1 A 14 14 LEU CB C 14 44.200 45.431 -1.231 1
1 125 . 14 1 1 A 14 14 LEU N N 14 126.700 126.201 0.499 1
1 126 . 14 1 1 A 15 15 GLU H H 15 8.680 8.599 0.081 1
1 127 . 14 1 1 A 15 15 GLU HA H 15 4.240 4.689 -0.449 1
1 132 . 14 1 1 A 15 15 GLU CA C 15 56.900 56.230 0.670 1
1 133 . 14 1 1 A 15 15 GLU CB C 15 29.900 30.439 -0.539 1
1 135 . 14 1 1 A 15 15 GLU N N 15 120.600 123.743 -3.143 1
1 136 . 14 1 1 A 16 16 LEU H H 16 7.740 8.741 -1.001 1
1 137 . 14 1 1 A 16 16 LEU HA H 16 4.360 4.737 -0.377 1
1 147 . 14 1 1 A 16 16 LEU CA C 16 54.000 54.228 -0.228 1
1 148 . 14 1 1 A 16 16 LEU CB C 16 43.300 44.100 -0.800 1
1 152 . 14 1 1 A 16 16 LEU N N 16 125.200 127.141 -1.941 1
1 153 . 14 1 1 A 17 17 THR H H 17 8.500 9.105 -0.605 1
1 154 . 14 1 1 A 17 17 THR HA H 17 4.420 4.925 -0.505 1
1 159 . 14 1 1 A 17 17 THR CA C 17 63.100 61.845 1.255 1
1 160 . 14 1 1 A 17 17 THR CB C 17 69.600 70.841 -1.241 1
1 162 . 14 1 1 A 17 17 THR N N 17 127.300 122.977 4.323 1
1 163 . 14 1 1 A 18 18 VAL H H 18 8.840 9.211 -0.371 1
1 164 . 14 1 1 A 18 18 VAL HA H 18 4.490 4.895 -0.405 1
1 172 . 14 1 1 A 18 18 VAL CA C 18 61.100 61.237 -0.137 1
1 173 . 14 1 1 A 18 18 VAL CB C 18 33.300 33.368 -0.068 1
1 176 . 14 1 1 A 18 18 VAL N N 18 127.000 127.482 -0.482 1
1 177 . 14 1 1 A 19 19 LEU H H 19 8.830 9.556 -0.726 1
1 178 . 14 1 1 A 19 19 LEU HA H 19 4.920 5.015 -0.095 1
1 188 . 14 1 1 A 19 19 LEU CA C 19 53.400 52.949 0.451 1
1 189 . 14 1 1 A 19 19 LEU CB C 19 41.200 42.519 -1.319 1
1 193 . 14 1 1 A 19 19 LEU N N 19 128.500 127.765 0.735 1
1 194 . 14 1 1 A 20 20 TYR H H 20 8.470 8.600 -0.130 1
1 195 . 14 1 1 A 20 20 TYR HA H 20 4.280 5.351 -1.071 1
1 202 . 14 1 1 A 20 20 TYR CA C 20 55.600 55.408 0.192 1
1 203 . 14 1 1 A 20 20 TYR CB C 20 38.200 41.812 -3.612 1
1 206 . 14 1 1 A 20 20 TYR N N 20 120.300 121.189 -0.889 1
1 207 . 14 1 1 A 21 21 ASP H H 21 8.920 8.834 0.086 1
1 208 . 14 1 1 A 21 21 ASP HA H 21 4.640 4.891 -0.251 1
1 211 . 14 1 1 A 21 21 ASP CA C 21 53.000 52.929 0.071 1
1 212 . 14 1 1 A 21 21 ASP CB C 21 39.300 41.410 -2.110 1
1 213 . 14 1 1 A 21 21 ASP N N 21 118.600 122.771 -4.171 1
1 214 . 14 1 1 A 22 22 GLU H H 22 7.930 8.049 -0.119 1
1 215 . 14 1 1 A 22 22 GLU HA H 22 4.250 4.808 -0.558 1
1 220 . 14 1 1 A 22 22 GLU CA C 22 57.000 55.360 1.640 1
1 221 . 14 1 1 A 22 22 GLU CB C 22 29.000 30.120 -1.120 1
1 223 . 14 1 1 A 22 22 GLU N N 22 126.600 121.124 5.476 1
1 224 . 14 1 1 A 23 23 GLU H H 23 8.060 8.567 -0.507 1
1 225 . 14 1 1 A 23 23 GLU HA H 23 4.130 4.377 -0.247 1
1 230 . 14 1 1 A 23 23 GLU CA C 23 57.800 58.267 -0.467 1
1 231 . 14 1 1 A 23 23 GLU CB C 23 29.500 29.459 0.041 1
1 233 . 14 1 1 A 23 23 GLU N N 23 117.800 122.459 -4.659 1
1 234 . 14 1 1 A 24 24 ARG H H 24 7.070 7.837 -0.767 1
1 235 . 14 1 1 A 24 24 ARG HA H 24 4.170 4.134 0.036 1
1 243 . 14 1 1 A 24 24 ARG CA C 24 56.500 57.203 -0.703 1
1 244 . 14 1 1 A 24 24 ARG CB C 24 33.500 30.743 2.757 1
1 247 . 14 1 1 A 24 24 ARG N N 24 116.700 117.959 -1.259 1
1 249 . 14 1 1 A 25 25 TYR H H 25 8.150 7.759 0.391 1
1 250 . 14 1 1 A 25 25 TYR HA H 25 5.470 5.293 0.177 1
1 257 . 14 1 1 A 25 25 TYR CA C 25 56.900 56.681 0.219 1
1 258 . 14 1 1 A 25 25 TYR CB C 25 43.100 42.059 1.041 1
1 261 . 14 1 1 A 25 25 TYR N N 25 116.800 116.867 -0.067 1
1 262 . 14 1 1 A 26 26 ASP H H 26 9.120 8.558 0.562 1
1 263 . 14 1 1 A 26 26 ASP HA H 26 5.250 5.472 -0.222 1
1 266 . 14 1 1 A 26 26 ASP CA C 26 52.400 52.393 0.007 1
1 267 . 14 1 1 A 26 26 ASP CB C 26 44.500 43.879 0.621 1
1 268 . 14 1 1 A 26 26 ASP N N 26 116.900 119.513 -2.613 1
1 269 . 14 1 1 A 27 27 ILE H H 27 8.640 8.993 -0.353 1
1 270 . 14 1 1 A 27 27 ILE HA H 27 4.100 4.492 -0.392 1
1 280 . 14 1 1 A 27 27 ILE CA C 27 61.400 60.809 0.591 1
1 281 . 14 1 1 A 27 27 ILE CB C 27 38.600 37.120 1.480 1
1 285 . 14 1 1 A 27 27 ILE N N 27 121.200 122.656 -1.456 1
1 286 . 14 1 1 A 28 28 VAL H H 28 8.840 8.425 0.415 1
1 287 . 14 1 1 A 28 28 VAL HA H 28 3.930 3.983 -0.053 1
1 295 . 14 1 1 A 28 28 VAL CA C 28 63.800 64.148 -0.348 1
1 296 . 14 1 1 A 28 28 VAL CB C 28 32.900 32.586 0.314 1
1 299 . 14 1 1 A 28 28 VAL N N 28 128.700 129.359 -0.659 1
1 300 . 14 1 1 A 29 29 GLU H H 29 7.180 7.804 -0.624 1
1 301 . 14 1 1 A 29 29 GLU HA H 29 4.490 4.781 -0.291 1
1 306 . 14 1 1 A 29 29 GLU CA C 29 55.200 54.778 0.422 1
1 307 . 14 1 1 A 29 29 GLU CB C 29 32.900 33.376 -0.476 1
1 309 . 14 1 1 A 29 29 GLU N N 29 116.000 118.285 -2.285 1
1 310 . 14 1 1 A 30 30 GLN H H 30 8.760 8.726 0.034 1
1 311 . 14 1 1 A 30 30 GLN HA H 30 5.450 5.573 -0.123 1
1 314 . 14 1 1 A 30 30 GLN CA C 30 54.200 54.783 -0.583 1
1 315 . 14 1 1 A 30 30 GLN CB C 30 33.100 31.171 1.929 1
1 316 . 14 1 1 A 30 30 GLN N N 30 117.200 119.739 -2.539 1
1 317 . 14 1 1 A 31 31 THR H H 31 8.200 8.405 -0.205 1
1 318 . 14 1 1 A 31 31 THR HA H 31 4.160 4.274 -0.114 1
1 323 . 14 1 1 A 31 31 THR CA C 31 64.500 63.520 0.980 1
1 324 . 14 1 1 A 31 31 THR CB C 31 70.300 68.416 1.884 1
1 326 . 14 1 1 A 31 31 THR N N 31 119.400 117.075 2.325 1
1 327 . 14 1 1 A 32 32 GLU H H 32 9.230 8.968 0.262 1
1 328 . 14 1 1 A 32 32 GLU HA H 32 4.170 4.370 -0.200 1
1 333 . 14 1 1 A 32 32 GLU CA C 32 60.000 58.801 1.199 1
1 334 . 14 1 1 A 32 32 GLU CB C 32 31.000 30.888 0.112 1
1 336 . 14 1 1 A 32 32 GLU N N 32 129.600 128.381 1.219 1
1 337 . 14 1 1 A 33 33 THR H H 33 7.510 8.044 -0.534 1
1 338 . 14 1 1 A 33 33 THR HA H 33 5.320 5.137 0.183 1
1 343 . 14 1 1 A 33 33 THR CA C 33 58.500 59.712 -1.212 1
1 344 . 14 1 1 A 33 33 THR CB C 33 73.100 71.944 1.156 1
1 346 . 14 1 1 A 33 33 THR N N 33 107.500 109.955 -2.455 1
1 347 . 14 1 1 A 34 34 VAL H H 34 8.700 9.398 -0.698 1
1 348 . 14 1 1 A 34 34 VAL HA H 34 4.670 5.063 -0.393 1
1 356 . 14 1 1 A 34 34 VAL CA C 34 59.200 58.613 0.587 1
1 357 . 14 1 1 A 34 34 VAL CB C 34 35.200 35.533 -0.333 1
1 360 . 14 1 1 A 34 34 VAL N N 34 112.000 117.709 -5.709 1
1 361 . 14 1 1 A 35 35 GLN H H 35 8.930 8.879 0.051 1
1 362 . 14 1 1 A 35 35 GLN HA H 35 4.790 5.260 -0.470 1
1 369 . 14 1 1 A 35 35 GLN CA C 35 54.800 54.231 0.569 1
1 370 . 14 1 1 A 35 35 GLN CB C 35 29.900 32.120 -2.220 1
1 372 . 14 1 1 A 35 35 GLN N N 35 123.200 121.978 1.222 1
1 374 . 14 1 1 A 36 36 VAL H H 36 7.940 8.385 -0.445 1
1 375 . 14 1 1 A 36 36 VAL HA H 36 4.850 5.162 -0.312 1
1 383 . 14 1 1 A 36 36 VAL CA C 36 61.300 60.652 0.648 1
1 384 . 14 1 1 A 36 36 VAL CB C 36 34.200 34.346 -0.146 1
1 387 . 14 1 1 A 36 36 VAL N N 36 124.300 125.976 -1.676 1
1 388 . 14 1 1 A 37 37 ASP H H 37 8.670 9.435 -0.765 1
1 389 . 14 1 1 A 37 37 ASP HA H 37 5.240 5.484 -0.244 1
1 392 . 14 1 1 A 37 37 ASP CA C 37 53.000 52.636 0.364 1
1 393 . 14 1 1 A 37 37 ASP CB C 37 44.700 44.609 0.091 1
1 394 . 14 1 1 A 37 37 ASP N N 37 126.900 127.717 -0.817 1
1 395 . 14 1 1 A 38 38 LEU H H 38 8.850 9.364 -0.514 1
1 396 . 14 1 1 A 38 38 LEU HA H 38 5.160 4.967 0.193 1
1 406 . 14 1 1 A 38 38 LEU CA C 38 52.400 53.306 -0.906 1
1 407 . 14 1 1 A 38 38 LEU CB C 38 46.100 43.415 2.685 1
1 411 . 14 1 1 A 38 38 LEU N N 38 119.100 125.366 -6.266 1
1 412 . 14 1 1 A 39 39 GLU H H 39 8.380 9.138 -0.758 1
1 413 . 14 1 1 A 39 39 GLU HA H 39 5.210 5.308 -0.098 1
1 418 . 14 1 1 A 39 39 GLU CA C 39 54.600 54.684 -0.084 1
1 419 . 14 1 1 A 39 39 GLU CB C 39 33.900 33.153 0.747 1
1 421 . 14 1 1 A 39 39 GLU N N 39 120.800 124.472 -3.672 1
1 422 . 14 1 1 A 40 40 GLY H H 40 8.110 7.979 0.131 1
1 423 . 14 1 1 A 40 40 GLY HA2 H 40 4.230 4.239 -0.009 1
1 424 . 14 1 1 A 40 40 GLY HA3 H 40 3.730 4.370 -0.640 1
1 425 . 14 1 1 A 40 40 GLY CA C 40 45.000 44.767 0.233 1
1 426 . 14 1 1 A 40 40 GLY N N 40 110.000 111.881 -1.881 1
1 427 . 14 1 1 A 41 41 PRO HA H 41 4.380 5.616 -1.236 1
1 434 . 14 1 1 A 41 41 PRO CA C 41 62.200 63.247 -1.047 1
1 435 . 14 1 1 A 41 41 PRO CB C 41 32.400 31.769 0.631 1
1 438 . 14 1 1 A 42 42 ARG H H 42 9.020 8.577 0.443 1
1 439 . 14 1 1 A 42 42 ARG HA H 42 3.790 3.957 -0.167 1
1 446 . 14 1 1 A 42 42 ARG CA C 42 60.400 58.839 1.561 1
1 447 . 14 1 1 A 42 42 ARG CB C 42 29.900 29.662 0.238 1
1 450 . 14 1 1 A 42 42 ARG N N 42 125.500 124.072 1.428 1
1 451 . 14 1 1 A 43 43 GLY H H 43 9.310 8.628 0.682 1
1 452 . 14 1 1 A 43 43 GLY HA2 H 43 3.890 3.805 0.085 1
1 453 . 14 1 1 A 43 43 GLY HA3 H 43 3.890 3.808 0.082 1
1 454 . 14 1 1 A 43 43 GLY CA C 43 47.000 47.538 -0.538 1
1 455 . 14 1 1 A 43 43 GLY N N 43 107.200 108.984 -1.784 1
1 456 . 14 1 1 A 44 44 VAL H H 44 6.930 8.203 -1.273 1
1 457 . 14 1 1 A 44 44 VAL HA H 44 3.800 3.812 -0.012 1
1 465 . 14 1 1 A 44 44 VAL CA C 44 65.100 65.984 -0.884 1
1 466 . 14 1 1 A 44 44 VAL CB C 44 32.000 32.014 -0.014 1
1 469 . 14 1 1 A 44 44 VAL N N 44 121.100 122.612 -1.512 1
1 470 . 14 1 1 A 45 45 LEU H H 45 7.830 7.796 0.034 1
1 471 . 14 1 1 A 45 45 LEU HA H 45 3.890 3.956 -0.066 1
1 481 . 14 1 1 A 45 45 LEU CA C 45 58.100 57.850 0.250 1
1 482 . 14 1 1 A 45 45 LEU CB C 45 41.800 40.996 0.804 1
1 486 . 14 1 1 A 45 45 LEU N N 45 120.700 119.235 1.465 1
1 487 . 14 1 1 A 46 46 THR H H 46 8.340 8.098 0.242 1
1 488 . 14 1 1 A 46 46 THR HA H 46 3.850 3.954 -0.104 1
1 493 . 14 1 1 A 46 46 THR CA C 46 66.800 66.741 0.059 1
1 494 . 14 1 1 A 46 46 THR CB C 46 68.800 68.041 0.759 1
1 496 . 14 1 1 A 46 46 THR N N 46 114.900 116.239 -1.339 1
1 497 . 14 1 1 A 47 47 VAL H H 47 7.210 7.754 -0.544 1
1 498 . 14 1 1 A 47 47 VAL HA H 47 3.820 3.806 0.014 1
1 506 . 14 1 1 A 47 47 VAL CA C 47 65.600 66.591 -0.991 1
1 507 . 14 1 1 A 47 47 VAL CB C 47 31.900 31.745 0.155 1
1 510 . 14 1 1 A 47 47 VAL N N 47 119.600 121.458 -1.858 1
1 511 . 14 1 1 A 48 48 PHE H H 48 8.140 8.495 -0.355 1
1 512 . 14 1 1 A 48 48 PHE HA H 48 4.210 4.122 0.088 1
1 520 . 14 1 1 A 48 48 PHE CA C 48 61.100 60.746 0.354 1
1 521 . 14 1 1 A 48 48 PHE CB C 48 39.200 39.233 -0.033 1
1 525 . 14 1 1 A 48 48 PHE N N 48 120.600 120.529 0.071 1
1 526 . 14 1 1 A 49 49 ARG H H 49 8.150 8.212 -0.062 1
1 527 . 14 1 1 A 49 49 ARG HA H 49 3.710 4.098 -0.388 1
1 534 . 14 1 1 A 49 49 ARG CA C 49 58.500 57.943 0.557 1
1 535 . 14 1 1 A 49 49 ARG CB C 49 30.000 29.979 0.021 1
1 538 . 14 1 1 A 49 49 ARG N N 49 117.500 117.946 -0.446 1
1 539 . 14 1 1 A 50 50 PHE H H 50 7.270 7.373 -0.103 1
1 540 . 14 1 1 A 50 50 PHE HA H 50 4.620 4.496 0.124 1
1 548 . 14 1 1 A 50 50 PHE CA C 50 57.700 58.132 -0.432 1
1 549 . 14 1 1 A 50 50 PHE CB C 50 39.600 39.719 -0.119 1
1 553 . 14 1 1 A 50 50 PHE N N 50 115.500 115.662 -0.162 1
1 554 . 14 1 1 A 51 51 ALA H H 51 7.620 7.153 0.467 1
1 555 . 14 1 1 A 51 51 ALA HA H 51 4.320 4.366 -0.046 1
1 559 . 14 1 1 A 51 51 ALA CA C 51 51.700 51.782 -0.082 1
1 560 . 14 1 1 A 51 51 ALA CB C 51 19.300 19.558 -0.258 1
1 561 . 14 1 1 A 51 51 ALA N N 51 124.200 121.438 2.762 1
1 562 . 14 1 1 A 52 52 ARG H H 52 8.570 8.425 0.145 1
1 563 . 14 1 1 A 52 52 ARG HA H 52 4.270 4.544 -0.274 1
1 570 . 14 1 1 A 52 52 ARG CA C 52 54.700 54.301 0.399 1
1 571 . 14 1 1 A 52 52 ARG CB C 52 29.300 29.661 -0.361 1
1 574 . 14 1 1 A 52 52 ARG N N 52 123.500 121.312 2.188 1
1 575 . 14 1 1 A 53 53 PRO HA H 53 4.240 4.569 -0.329 1
1 582 . 14 1 1 A 53 53 PRO CA C 53 63.600 62.612 0.988 1
1 583 . 14 1 1 A 53 53 PRO CB C 53 31.600 31.738 -0.138 1
1 586 . 14 1 1 A 54 54 SER H H 54 8.100 8.918 -0.818 1
1 587 . 14 1 1 A 54 54 SER HA H 54 4.390 4.713 -0.323 1
1 590 . 14 1 1 A 54 54 SER CA C 54 57.200 57.551 -0.351 1
1 591 . 14 1 1 A 54 54 SER CB C 54 63.100 64.716 -1.616 1
1 592 . 14 1 1 A 54 54 SER N N 54 117.200 117.953 -0.753 1
1 593 . 14 1 1 A 55 55 TYR H H 55 6.640 7.040 -0.400 1
1 594 . 14 1 1 A 55 55 TYR HA H 55 5.030 5.205 -0.175 1
1 601 . 14 1 1 A 55 55 TYR CA C 55 53.900 55.707 -1.807 1
1 602 . 14 1 1 A 55 55 TYR CB C 55 39.200 41.171 -1.971 1
1 605 . 14 1 1 A 55 55 TYR N N 55 119.200 117.566 1.634 1
1 606 . 14 1 1 A 56 56 GLU H H 56 8.890 8.575 0.315 1
1 607 . 14 1 1 A 56 56 GLU HA H 56 4.740 4.860 -0.120 1
1 612 . 14 1 1 A 56 56 GLU CA C 56 55.700 54.624 1.076 1
1 613 . 14 1 1 A 56 56 GLU CB C 56 35.000 33.282 1.718 1
1 615 . 14 1 1 A 56 56 GLU N N 56 118.800 121.115 -2.315 1
1 616 . 14 1 1 A 57 57 VAL H H 57 8.830 8.157 0.673 1
1 617 . 14 1 1 A 57 57 VAL HA H 57 5.370 4.760 0.610 1
1 625 . 14 1 1 A 57 57 VAL CA C 57 59.900 61.066 -1.166 1
1 626 . 14 1 1 A 57 57 VAL CB C 57 33.300 32.888 0.412 1
1 629 . 14 1 1 A 57 57 VAL N N 57 117.800 121.424 -3.624 1
1 630 . 14 1 1 A 58 58 PHE H H 58 8.870 8.522 0.348 1
1 631 . 14 1 1 A 58 58 PHE HA H 58 6.090 5.856 0.234 1
1 634 . 14 1 1 A 58 58 PHE CA C 58 55.600 56.035 -0.435 1
1 635 . 14 1 1 A 58 58 PHE CB C 58 42.700 44.051 -1.351 1
1 636 . 14 1 1 A 58 58 PHE N N 58 120.600 125.415 -4.815 1
1 637 . 14 1 1 A 59 59 VAL H H 59 8.270 8.817 -0.547 1
1 638 . 14 1 1 A 59 59 VAL HA H 59 4.730 4.954 -0.224 1
1 646 . 14 1 1 A 59 59 VAL CA C 59 58.500 60.739 -2.239 1
1 647 . 14 1 1 A 59 59 VAL CB C 59 34.800 34.664 0.136 1
1 650 . 14 1 1 A 59 59 VAL N N 59 108.700 120.149 -11.449 1
1 651 . 14 1 1 A 60 60 ASP H H 60 9.360 8.937 0.423 1
1 652 . 14 1 1 A 60 60 ASP HA H 60 5.080 4.962 0.118 1
1 655 . 14 1 1 A 60 60 ASP CA C 60 52.700 53.005 -0.305 1
1 656 . 14 1 1 A 60 60 ASP CB C 60 41.100 42.203 -1.103 1
1 657 . 14 1 1 A 60 60 ASP N N 60 123.000 127.642 -4.642 1
1 658 . 14 1 1 A 61 61 LEU H H 61 9.230 8.979 0.251 1
1 659 . 14 1 1 A 61 61 LEU HA H 61 4.670 4.758 -0.088 1
1 669 . 14 1 1 A 61 61 LEU CA C 61 53.300 53.580 -0.280 1
1 670 . 14 1 1 A 61 61 LEU CB C 61 40.900 42.505 -1.605 1
1 674 . 14 1 1 A 61 61 LEU N N 61 128.600 127.719 0.881 1
1 675 . 14 1 1 A 62 62 THR H H 62 8.720 7.821 0.899 1
1 676 . 14 1 1 A 62 62 THR HA H 62 3.590 4.098 -0.508 1
1 681 . 14 1 1 A 62 62 THR CA C 62 67.000 64.390 2.610 1
1 682 . 14 1 1 A 62 62 THR CB C 62 69.100 68.529 0.571 1
1 684 . 14 1 1 A 62 62 THR N N 62 115.800 113.417 2.383 1
1 685 . 14 1 1 A 63 63 GLU H H 63 8.490 7.676 0.814 1
1 686 . 14 1 1 A 63 63 GLU HA H 63 4.530 4.446 0.084 1
1 691 . 14 1 1 A 63 63 GLU CA C 63 55.100 56.634 -1.534 1
1 692 . 14 1 1 A 63 63 GLU CB C 63 29.200 31.169 -1.969 1
1 694 . 14 1 1 A 63 63 GLU N N 63 118.800 120.042 -1.242 1
1 695 . 14 1 1 A 64 64 ALA H H 64 7.100 7.367 -0.267 1
1 696 . 14 1 1 A 64 64 ALA HA H 64 4.130 4.192 -0.062 1
1 700 . 14 1 1 A 64 64 ALA CA C 64 51.500 52.121 -0.621 1
1 701 . 14 1 1 A 64 64 ALA CB C 64 20.900 19.094 1.806 1
1 702 . 14 1 1 A 64 64 ALA N N 64 123.700 122.152 1.548 1
1 703 . 14 1 1 A 65 65 GLY H H 65 7.800 8.175 -0.375 1
1 704 . 14 1 1 A 65 65 GLY HA2 H 65 4.180 4.065 0.115 1
1 705 . 14 1 1 A 65 65 GLY HA3 H 65 3.540 4.066 -0.526 1
1 706 . 14 1 1 A 65 65 GLY CA C 65 42.600 44.262 -1.662 1
1 707 . 14 1 1 A 65 65 GLY N N 65 106.800 106.976 -0.176 1
1 708 . 14 1 1 A 66 66 GLU H H 66 8.490 8.296 0.194 1
1 709 . 14 1 1 A 66 66 GLU HA H 66 3.750 4.134 -0.384 1
1 714 . 14 1 1 A 66 66 GLU CA C 66 57.400 54.733 2.667 1
1 715 . 14 1 1 A 66 66 GLU CB C 66 30.300 30.628 -0.328 1
1 717 . 14 1 1 A 66 66 GLU N N 66 119.900 119.018 0.882 1
1 718 . 14 1 1 A 67 67 GLY H H 67 8.470 8.196 0.274 1
1 719 . 14 1 1 A 67 67 GLY HA2 H 67 3.770 3.917 -0.147 1
1 720 . 14 1 1 A 67 67 GLY HA3 H 67 4.390 3.947 0.443 1
1 721 . 14 1 1 A 67 67 GLY CA C 67 43.400 44.604 -1.204 1
1 722 . 14 1 1 A 67 67 GLY N N 67 110.800 109.250 1.550 1
1 723 . 14 1 1 A 68 68 SER H H 68 8.250 8.238 0.012 1
1 724 . 14 1 1 A 68 68 SER HA H 68 4.610 4.443 0.167 1
1 727 . 14 1 1 A 68 68 SER CA C 68 57.700 57.785 -0.085 1
1 728 . 14 1 1 A 68 68 SER CB C 68 63.300 63.686 -0.386 1
1 729 . 14 1 1 A 68 68 SER N N 68 114.500 115.538 -1.038 1
1 730 . 14 1 1 A 69 69 HIS H H 69 8.780 8.118 0.662 1
1 731 . 14 1 1 A 69 69 HIS HA H 69 4.790 5.709 -0.919 1
1 734 . 14 1 1 A 69 69 HIS CA C 69 55.300 53.794 1.506 1
1 735 . 14 1 1 A 69 69 HIS CB C 69 33.900 32.867 1.033 1
1 736 . 14 1 1 A 69 69 HIS N N 69 125.400 120.435 4.965 1
1 737 . 14 1 1 A 70 70 THR H H 70 8.870 8.844 0.026 1
1 738 . 14 1 1 A 70 70 THR HA H 70 5.380 5.232 0.148 1
1 743 . 14 1 1 A 70 70 THR CA C 70 61.600 62.167 -0.567 1
1 744 . 14 1 1 A 70 70 THR CB C 70 69.400 69.558 -0.158 1
1 746 . 14 1 1 A 70 70 THR N N 70 121.200 119.751 1.449 1
1 747 . 14 1 1 A 71 71 VAL H H 71 8.860 9.002 -0.142 1
1 748 . 14 1 1 A 71 71 VAL HA H 71 4.730 5.043 -0.313 1
1 756 . 14 1 1 A 71 71 VAL CA C 71 58.900 58.704 0.196 1
1 757 . 14 1 1 A 71 71 VAL CB C 71 36.000 35.813 0.187 1
1 760 . 14 1 1 A 71 71 VAL N N 71 122.100 120.258 1.842 1
1 761 . 14 1 1 A 72 72 ASP H H 72 8.610 8.603 0.007 1
1 762 . 14 1 1 A 72 72 ASP HA H 72 4.660 4.938 -0.278 1
1 765 . 14 1 1 A 72 72 ASP CA C 72 55.500 53.525 1.975 1
1 766 . 14 1 1 A 72 72 ASP CB C 72 40.800 41.720 -0.920 1
1 767 . 14 1 1 A 72 72 ASP N N 72 124.300 121.423 2.877 1
1 768 . 14 1 1 A 73 73 VAL H H 73 8.090 8.633 -0.543 1
1 769 . 14 1 1 A 73 73 VAL HA H 73 3.770 4.410 -0.640 1
1 777 . 14 1 1 A 73 73 VAL CA C 73 63.600 62.121 1.479 1
1 778 . 14 1 1 A 73 73 VAL CB C 73 31.600 32.740 -1.140 1
1 781 . 14 1 1 A 73 73 VAL N N 73 121.400 122.748 -1.348 1
1 782 . 14 1 1 A 74 74 GLU H H 74 8.900 8.598 0.302 1
1 783 . 14 1 1 A 74 74 GLU HA H 74 4.370 4.763 -0.393 1
1 788 . 14 1 1 A 74 74 GLU CA C 74 54.700 55.447 -0.747 1
1 789 . 14 1 1 A 74 74 GLU CB C 74 33.300 31.983 1.317 1
1 791 . 14 1 1 A 74 74 GLU N N 74 129.600 126.901 2.699 1
1 792 . 14 1 1 A 75 75 HIS H H 75 7.940 8.310 -0.370 1
1 793 . 14 1 1 A 75 75 HIS HA H 75 5.830 5.486 0.344 1
1 796 . 14 1 1 A 75 75 HIS CA C 75 54.100 54.100 0.000 1
1 797 . 14 1 1 A 75 75 HIS CB C 75 39.500 33.278 6.222 1
1 798 . 14 1 1 A 75 75 HIS N N 75 112.800 117.653 -4.853 1
1 799 . 14 1 1 A 76 76 ARG H H 76 9.210 8.047 1.163 1
1 800 . 14 1 1 A 76 76 ARG HA H 76 5.170 4.739 0.431 1
1 805 . 14 1 1 A 76 76 ARG CA C 76 55.300 54.743 0.557 1
1 806 . 14 1 1 A 76 76 ARG CB C 76 33.400 34.694 -1.294 1
1 808 . 14 1 1 A 76 76 ARG N N 76 117.100 119.388 -2.288 1
1 809 . 14 1 1 A 77 77 GLY H H 77 8.740 8.129 0.611 1
1 810 . 14 1 1 A 77 77 GLY HA2 H 77 4.410 4.037 0.373 1
1 811 . 14 1 1 A 77 77 GLY HA3 H 77 3.670 4.040 -0.370 1
1 812 . 14 1 1 A 77 77 GLY CA C 77 45.400 45.405 -0.005 1
1 813 . 14 1 1 A 77 77 GLY N N 77 107.400 110.583 -3.183 1
1 814 . 14 1 1 A 78 78 PHE H H 78 7.920 7.109 0.811 1
1 815 . 14 1 1 A 78 78 PHE HA H 78 4.450 4.626 -0.176 1
1 823 . 14 1 1 A 78 78 PHE CA C 78 54.200 55.093 -0.893 1
1 824 . 14 1 1 A 78 78 PHE CB C 78 41.000 39.082 1.918 1
1 828 . 14 1 1 A 78 78 PHE N N 78 120.200 118.742 1.458 1
1 829 . 14 1 1 A 79 79 PRO HA H 79 4.470 4.638 -0.168 1
1 836 . 14 1 1 A 79 79 PRO CA C 79 63.300 63.195 0.105 1
1 837 . 14 1 1 A 79 79 PRO CB C 79 32.200 32.194 0.006 1
1 840 . 14 1 1 A 80 80 GLY H H 80 8.820 8.805 0.015 1
1 841 . 14 1 1 A 80 80 GLY HA2 H 80 4.020 3.903 0.117 1
1 842 . 14 1 1 A 80 80 GLY HA3 H 80 3.890 3.961 -0.071 1
1 843 . 14 1 1 A 80 80 GLY CA C 80 46.600 46.149 0.451 1
1 844 . 14 1 1 A 80 80 GLY N N 80 110.100 109.708 0.392 1
1 845 . 14 1 1 A 81 81 ASP H H 81 8.360 8.287 0.073 1
1 846 . 14 1 1 A 81 81 ASP HA H 81 4.560 4.342 0.218 1
1 849 . 14 1 1 A 81 81 ASP CA C 81 53.800 57.398 -3.598 1
1 850 . 14 1 1 A 81 81 ASP CB C 81 40.300 41.825 -1.525 1
1 851 . 14 1 1 A 81 81 ASP N N 81 114.800 121.060 -6.260 1
1 852 . 14 1 1 A 82 82 LEU H H 82 7.400 7.810 -0.410 1
1 853 . 14 1 1 A 82 82 LEU HA H 82 4.720 4.279 0.441 1
1 863 . 14 1 1 A 82 82 LEU CA C 82 52.800 54.905 -2.105 1
1 864 . 14 1 1 A 82 82 LEU CB C 82 42.900 42.419 0.481 1
1 868 . 14 1 1 A 82 82 LEU N N 82 115.500 119.729 -4.229 1
1 869 . 14 1 1 A 83 83 ALA H H 83 8.930 8.729 0.201 1
1 870 . 14 1 1 A 83 83 ALA HA H 83 4.530 4.617 -0.087 1
1 874 . 14 1 1 A 83 83 ALA CA C 83 50.900 51.459 -0.559 1
1 875 . 14 1 1 A 83 83 ALA CB C 83 19.600 19.341 0.259 1
1 876 . 14 1 1 A 83 83 ALA N N 83 124.900 124.601 0.299 1
1 877 . 14 1 1 A 84 84 VAL H H 84 8.570 8.999 -0.429 1
1 878 . 14 1 1 A 84 84 VAL HA H 84 3.930 4.324 -0.394 1
1 886 . 14 1 1 A 84 84 VAL CA C 84 61.300 61.860 -0.560 1
1 887 . 14 1 1 A 84 84 VAL CB C 84 32.800 31.903 0.897 1
1 890 . 14 1 1 A 84 84 VAL N N 84 126.800 124.240 2.560 1
1 891 . 14 1 1 A 85 85 THR H H 85 9.000 9.273 -0.273 1
1 892 . 14 1 1 A 85 85 THR HA H 85 4.440 4.892 -0.452 1
1 897 . 14 1 1 A 85 85 THR CA C 85 61.900 61.900 0.000 1
1 898 . 14 1 1 A 85 85 THR CB C 85 70.100 69.801 0.299 1
1 900 . 14 1 1 A 85 85 THR N N 85 125.500 122.729 2.771 1
1 901 . 14 1 1 A 86 86 VAL H H 86 8.280 8.818 -0.538 1
1 902 . 14 1 1 A 86 86 VAL HA H 86 5.010 5.245 -0.235 1
1 910 . 14 1 1 A 86 86 VAL CA C 86 59.300 59.805 -0.505 1
1 911 . 14 1 1 A 86 86 VAL CB C 86 33.700 35.806 -2.106 1
1 914 . 14 1 1 A 86 86 VAL N N 86 123.200 126.466 -3.266 1
1 915 . 14 1 1 A 87 87 GLU H H 87 8.560 8.484 0.076 1
1 916 . 14 1 1 A 87 87 GLU HA H 87 4.720 5.008 -0.288 1
1 921 . 14 1 1 A 87 87 GLU CA C 87 52.400 53.640 -1.240 1
1 922 . 14 1 1 A 87 87 GLU CB C 87 33.600 30.692 2.908 1
1 924 . 14 1 1 A 87 87 GLU N N 87 124.400 124.714 -0.314 1
1 925 . 14 1 1 A 88 88 PRO HA H 88 4.770 4.887 -0.117 1
1 932 . 14 1 1 A 88 88 PRO CA C 88 62.800 61.816 0.984 1
1 933 . 14 1 1 A 88 88 PRO CB C 88 34.300 32.486 1.814 1
1 936 . 14 1 1 A 89 89 ARG H H 89 8.200 8.991 -0.791 1
1 937 . 14 1 1 A 89 89 ARG HA H 89 4.050 4.354 -0.304 1
1 945 . 14 1 1 A 89 89 ARG CA C 89 57.300 57.661 -0.361 1
1 946 . 14 1 1 A 89 89 ARG CB C 89 30.700 31.692 -0.992 1
1 949 . 14 1 1 A 89 89 ARG N N 89 114.400 119.704 -5.304 1
1 951 . 14 1 1 A 90 90 MET H H 90 7.750 7.878 -0.128 1
1 952 . 14 1 1 A 90 90 MET HA H 90 5.060 5.160 -0.100 1
1 960 . 14 1 1 A 90 90 MET CA C 90 53.700 54.502 -0.802 1
1 961 . 14 1 1 A 90 90 MET CB C 90 34.700 36.328 -1.628 1
1 964 . 14 1 1 A 90 90 MET N N 90 115.900 118.544 -2.644 1
1 965 . 14 1 1 A 91 91 ALA H H 91 9.020 9.875 -0.855 1
1 966 . 14 1 1 A 91 91 ALA HA H 91 4.640 5.316 -0.676 1
1 970 . 14 1 1 A 91 91 ALA CA C 91 49.300 50.119 -0.819 1
1 971 . 14 1 1 A 91 91 ALA CB C 91 23.600 22.930 0.670 1
1 972 . 14 1 1 A 91 91 ALA N N 91 123.200 125.499 -2.299 1
1 973 . 14 1 1 A 92 92 ARG H H 92 8.370 8.301 0.069 1
1 974 . 14 1 1 A 92 92 ARG HA H 92 5.480 4.973 0.507 1
1 982 . 14 1 1 A 92 92 ARG CA C 92 54.000 54.974 -0.974 1
1 983 . 14 1 1 A 92 92 ARG CB C 92 32.600 32.152 0.448 1
1 986 . 14 1 1 A 92 92 ARG N N 92 119.600 119.117 0.483 1
1 988 . 14 1 1 A 93 93 VAL H H 93 8.920 8.481 0.439 1
1 989 . 14 1 1 A 93 93 VAL HA H 93 4.510 4.698 -0.188 1
1 997 . 14 1 1 A 93 93 VAL CA C 93 61.000 60.920 0.080 1
1 998 . 14 1 1 A 93 93 VAL CB C 93 36.900 34.987 1.913 1
1 1001 . 14 1 1 A 93 93 VAL N N 93 124.100 123.288 0.812 1
1 1002 . 14 1 1 A 94 94 GLN H H 94 8.930 9.437 -0.507 1
1 1003 . 14 1 1 A 94 94 GLN HA H 94 5.400 4.579 0.821 1
1 1010 . 14 1 1 A 94 94 GLN CA C 94 53.500 54.520 -1.020 1
1 1011 . 14 1 1 A 94 94 GLN CB C 94 30.300 30.767 -0.467 1
1 1013 . 14 1 1 A 94 94 GLN N N 94 127.900 128.091 -0.191 1
1 1015 . 14 1 1 A 95 95 LEU H H 95 8.870 9.167 -0.297 1
1 1016 . 14 1 1 A 95 95 LEU HA H 95 5.390 5.101 0.289 1
1 1026 . 14 1 1 A 95 95 LEU CA C 95 53.000 53.353 -0.353 1
1 1027 . 14 1 1 A 95 95 LEU CB C 95 44.800 42.619 2.181 1
1 1031 . 14 1 1 A 95 95 LEU N N 95 126.400 129.065 -2.665 1
1 1032 . 14 1 1 A 96 96 GLU H H 96 9.300 8.930 0.370 1
1 1033 . 14 1 1 A 96 96 GLU HA H 96 5.000 4.958 0.042 1
1 1038 . 14 1 1 A 96 96 GLU CA C 96 54.300 54.820 -0.520 1
1 1039 . 14 1 1 A 96 96 GLU CB C 96 33.800 32.953 0.847 1
1 1041 . 14 1 1 A 96 96 GLU N N 96 122.700 125.873 -3.173 1
1 1042 . 14 1 1 A 97 97 GLU H H 97 9.730 8.730 1.000 1
1 1043 . 14 1 1 A 97 97 GLU HA H 97 4.360 4.733 -0.373 1
1 1048 . 14 1 1 A 97 97 GLU CA C 97 57.600 56.398 1.202 1
1 1049 . 14 1 1 A 97 97 GLU CB C 97 30.000 28.690 1.310 1
1 1051 . 14 1 1 A 97 97 GLU N N 97 126.200 124.335 1.865 1
1 1052 . 14 1 1 A 98 98 ARG H H 98 8.300 8.264 0.036 1
1 1053 . 14 1 1 A 98 98 ARG HA H 98 4.180 4.605 -0.425 1
1 1061 . 14 1 1 A 98 98 ARG CA C 98 56.800 54.734 2.066 1
1 1062 . 14 1 1 A 98 98 ARG CB C 98 30.700 32.160 -1.460 1
1 1065 . 14 1 1 A 98 98 ARG N N 98 126.500 126.096 0.404 1
1 1067 . 14 1 1 A 99 99 GLN H H 99 8.810 8.815 -0.005 1
1 1068 . 14 1 1 A 99 99 GLN HA H 99 4.370 4.276 0.094 1
1 1075 . 14 1 1 A 99 99 GLN CA C 99 55.600 57.186 -1.586 1
1 1076 . 14 1 1 A 99 99 GLN CB C 99 29.500 28.650 0.850 1
1 1078 . 14 1 1 A 99 99 GLN N N 99 123.700 122.657 1.043 1
1 1080 . 14 1 1 A 100 100 THR H H 100 8.340 7.637 0.703 1
1 1081 . 14 1 1 A 100 100 THR HA H 100 4.330 4.644 -0.314 1
1 1086 . 14 1 1 A 100 100 THR CA C 100 61.700 60.920 0.780 1
1 1087 . 14 1 1 A 100 100 THR CB C 100 69.800 70.112 -0.312 1
1 1089 . 14 1 1 A 100 100 THR N N 100 116.700 109.154 7.546 1
1 1090 . 14 1 1 A 101 101 VAL H H 101 8.290 8.420 -0.130 1
1 1091 . 14 1 1 A 101 101 VAL HA H 101 4.170 4.482 -0.312 1
1 1099 . 14 1 1 A 101 101 VAL CA C 101 61.900 60.615 1.285 1
1 1100 . 14 1 1 A 101 101 VAL CB C 101 32.800 31.573 1.227 1
1 1103 . 14 1 1 A 101 101 VAL N N 101 122.900 122.850 0.050 1
1 1104 . 14 1 1 A 102 102 SER H H 102 8.490 7.933 0.557 1
1 1105 . 14 1 1 A 102 102 SER HA H 102 4.470 4.571 -0.101 1
1 1108 . 14 1 1 A 102 102 SER CA C 102 58.000 57.877 0.123 1
1 1109 . 14 1 1 A 102 102 SER CB C 102 63.600 62.728 0.872 1
1 1110 . 14 1 1 A 102 102 SER N N 102 120.700 116.008 4.692 1
1 1111 . 14 1 1 A 103 103 VAL H H 103 8.240 7.568 0.672 1
1 1112 . 14 1 1 A 103 103 VAL HA H 103 4.420 4.380 0.040 1
1 1120 . 14 1 1 A 103 103 VAL CA C 103 59.700 59.549 0.151 1
1 1121 . 14 1 1 A 103 103 VAL CB C 103 32.700 32.023 0.677 1
1 1124 . 14 1 1 A 103 103 VAL N N 103 123.900 122.356 1.544 1
1 1125 . 14 1 1 A 104 104 PRO HA H 104 4.420 4.815 -0.395 1
1 1132 . 14 1 1 A 104 104 PRO CA C 104 63.000 62.067 0.933 1
1 1133 . 14 1 1 A 104 104 PRO CB C 104 32.000 32.483 -0.483 1
1 1136 . 14 1 1 A 105 105 VAL H H 105 8.340 8.043 0.297 1
1 1137 . 14 1 1 A 105 105 VAL HA H 105 4.130 3.783 0.347 1
1 1145 . 14 1 1 A 105 105 VAL CA C 105 62.200 63.730 -1.530 1
1 1146 . 14 1 1 A 105 105 VAL CB C 105 32.600 31.640 0.960 1
1 1149 . 14 1 1 A 105 105 VAL N N 105 121.000 121.063 -0.063 1
1 1150 . 14 1 1 A 106 106 THR H H 106 8.210 7.620 0.590 1
1 1151 . 14 1 1 A 106 106 THR HA H 106 4.380 4.489 -0.109 1
1 1156 . 14 1 1 A 106 106 THR CA C 106 61.400 60.803 0.597 1
1 1157 . 14 1 1 A 106 106 THR CB C 106 70.000 65.846 4.154 1
1 1159 . 14 1 1 A 106 106 THR N N 106 118.700 115.915 2.785 1
1 1160 . 14 1 1 A 107 107 VAL H H 107 8.280 8.666 -0.386 1
1 1161 . 14 1 1 A 107 107 VAL HA H 107 4.050 3.890 0.160 1
1 1169 . 14 1 1 A 107 107 VAL CA C 107 62.600 64.630 -2.030 1
1 1170 . 14 1 1 A 107 107 VAL CB C 107 32.600 32.062 0.538 1
1 1173 . 14 1 1 A 107 107 VAL N N 107 122.700 125.762 -3.062 1
1 1174 . 14 1 1 A 108 108 GLU H H 108 8.500 7.795 0.705 1
1 1175 . 14 1 1 A 108 108 GLU HA H 108 4.230 4.704 -0.474 1
1 1180 . 14 1 1 A 108 108 GLU CA C 108 56.600 55.900 0.700 1
1 1181 . 14 1 1 A 108 108 GLU CB C 108 30.000 32.971 -2.971 1
1 1183 . 14 1 1 A 108 108 GLU N N 108 124.100 118.226 5.874 1
1 1184 . 14 1 1 A 109 109 MET H H 109 8.570 8.857 -0.287 1
1 1185 . 14 1 1 A 109 109 MET HA H 109 4.460 4.506 -0.046 1
1 1188 . 14 1 1 A 109 109 MET CA C 109 55.300 54.380 0.920 1
1 1189 . 14 1 1 A 109 109 MET CB C 109 26.800 30.691 -3.891 1
1 1190 . 14 1 1 A 109 109 MET N N 109 121.300 126.771 -5.471 1
1 1191 . 14 1 1 A 110 110 ILE H H 110 8.280 8.990 -0.710 1
1 1192 . 14 1 1 A 110 110 ILE HA H 110 4.080 4.383 -0.303 1
1 1202 . 14 1 1 A 110 110 ILE CA C 110 61.400 60.475 0.925 1
1 1203 . 14 1 1 A 110 110 ILE CB C 110 38.700 38.989 -0.289 1
1 1207 . 14 1 1 A 110 110 ILE N N 110 122.600 124.961 -2.361 1
1 1208 . 14 1 1 A 111 111 ASN H H 111 8.590 7.512 1.078 1
1 1209 . 14 1 1 A 111 111 ASN HA H 111 4.690 4.702 -0.012 1
1 1214 . 14 1 1 A 111 111 ASN CA C 111 53.000 53.162 -0.162 1
1 1215 . 14 1 1 A 111 111 ASN CB C 111 38.600 38.802 -0.202 1
1 1216 . 14 1 1 A 111 111 ASN N N 111 122.800 119.779 3.021 1
1 1218 . 14 1 1 A 112 112 LEU H H 112 8.340 8.644 -0.304 1
1 1219 . 14 1 1 A 112 112 LEU HA H 112 4.240 4.769 -0.529 1
1 1229 . 14 1 1 A 112 112 LEU CA C 112 55.400 53.708 1.692 1
1 1230 . 14 1 1 A 112 112 LEU CB C 112 42.100 42.630 -0.530 1
1 1 . 15 1 1 A 3 3 THR HA H 3 4.250 4.460 -0.210 1
1 6 . 15 1 1 A 3 3 THR CA C 3 62.000 60.739 1.261 1
1 7 . 15 1 1 A 3 3 THR CB C 3 69.700 70.286 -0.586 1
1 9 . 15 1 1 A 4 4 PHE H H 4 8.440 9.373 -0.933 1
1 10 . 15 1 1 A 4 4 PHE HA H 4 4.650 5.093 -0.443 1
1 17 . 15 1 1 A 4 4 PHE CA C 4 57.700 56.906 0.794 1
1 18 . 15 1 1 A 4 4 PHE CB C 4 39.400 41.706 -2.306 1
1 21 . 15 1 1 A 4 4 PHE N N 4 122.400 121.374 1.026 1
1 22 . 15 1 1 A 5 5 ASP H H 5 8.500 8.847 -0.347 1
1 23 . 15 1 1 A 5 5 ASP HA H 5 4.600 5.033 -0.433 1
1 26 . 15 1 1 A 5 5 ASP CA C 5 53.900 53.542 0.358 1
1 27 . 15 1 1 A 5 5 ASP CB C 5 40.700 42.220 -1.520 1
1 28 . 15 1 1 A 5 5 ASP N N 5 121.800 123.560 -1.760 1
1 29 . 15 1 1 A 6 6 HIS H H 6 8.240 8.992 -0.752 1
1 30 . 15 1 1 A 6 6 HIS HA H 6 4.780 4.905 -0.125 1
1 34 . 15 1 1 A 6 6 HIS CA C 6 55.300 55.183 0.117 1
1 35 . 15 1 1 A 6 6 HIS CB C 6 31.500 30.441 1.059 1
1 37 . 15 1 1 A 6 6 HIS N N 6 120.400 123.304 -2.904 1
1 38 . 15 1 1 A 7 7 GLY H H 7 8.660 9.070 -0.410 1
1 39 . 15 1 1 A 7 7 GLY HA2 H 7 4.500 4.069 0.431 1
1 40 . 15 1 1 A 7 7 GLY HA3 H 7 3.580 4.150 -0.570 1
1 41 . 15 1 1 A 7 7 GLY CA C 7 44.200 44.171 0.029 1
1 42 . 15 1 1 A 7 7 GLY N N 7 109.200 107.245 1.955 1
1 43 . 15 1 1 A 8 8 ASN H H 8 8.040 8.543 -0.503 1
1 44 . 15 1 1 A 8 8 ASN HA H 8 5.500 5.723 -0.223 1
1 49 . 15 1 1 A 8 8 ASN CA C 8 52.600 51.908 0.692 1
1 50 . 15 1 1 A 8 8 ASN CB C 8 42.700 42.210 0.490 1
1 51 . 15 1 1 A 8 8 ASN N N 8 115.100 118.895 -3.795 1
1 53 . 15 1 1 A 9 9 LEU H H 9 8.850 8.757 0.093 1
1 54 . 15 1 1 A 9 9 LEU HA H 9 4.530 4.670 -0.140 1
1 64 . 15 1 1 A 9 9 LEU CA C 9 54.700 54.639 0.061 1
1 65 . 15 1 1 A 9 9 LEU CB C 9 47.000 45.966 1.034 1
1 69 . 15 1 1 A 9 9 LEU N N 9 123.500 123.769 -0.269 1
1 70 . 15 1 1 A 10 10 SER H H 10 8.850 8.614 0.236 1
1 71 . 15 1 1 A 10 10 SER HA H 10 5.030 5.172 -0.142 1
1 74 . 15 1 1 A 10 10 SER CA C 10 57.000 56.096 0.904 1
1 75 . 15 1 1 A 10 10 SER CB C 10 63.900 64.769 -0.869 1
1 76 . 15 1 1 A 10 10 SER N N 10 121.800 118.064 3.736 1
1 77 . 15 1 1 A 11 11 LEU H H 11 8.820 8.885 -0.065 1
1 78 . 15 1 1 A 11 11 LEU HA H 11 4.460 4.302 0.158 1
1 88 . 15 1 1 A 11 11 LEU CA C 11 54.400 55.650 -1.250 1
1 89 . 15 1 1 A 11 11 LEU CB C 11 41.900 42.866 -0.966 1
1 93 . 15 1 1 A 11 11 LEU N N 11 127.300 125.521 1.779 1
1 94 . 15 1 1 A 12 12 GLY H H 12 8.140 7.725 0.415 1
1 95 . 15 1 1 A 12 12 GLY HA2 H 12 3.720 4.057 -0.337 1
1 96 . 15 1 1 A 12 12 GLY HA3 H 12 4.080 4.075 0.005 1
1 97 . 15 1 1 A 12 12 GLY CA C 12 44.700 44.086 0.614 1
1 98 . 15 1 1 A 12 12 GLY N N 12 108.000 105.665 2.335 1
1 99 . 15 1 1 A 13 13 GLU H H 13 8.210 8.472 -0.262 1
1 100 . 15 1 1 A 13 13 GLU HA H 13 4.560 5.085 -0.525 1
1 105 . 15 1 1 A 13 13 GLU CA C 13 55.700 56.267 -0.567 1
1 106 . 15 1 1 A 13 13 GLU CB C 13 30.300 30.022 0.278 1
1 108 . 15 1 1 A 13 13 GLU N N 13 119.000 120.402 -1.402 1
1 109 . 15 1 1 A 14 14 LEU H H 14 9.360 9.307 0.053 1
1 110 . 15 1 1 A 14 14 LEU HA H 14 4.720 4.965 -0.245 1
1 120 . 15 1 1 A 14 14 LEU CA C 14 53.400 53.699 -0.299 1
1 121 . 15 1 1 A 14 14 LEU CB C 14 44.200 43.255 0.945 1
1 125 . 15 1 1 A 14 14 LEU N N 14 126.700 126.304 0.396 1
1 126 . 15 1 1 A 15 15 GLU H H 15 8.680 8.551 0.129 1
1 127 . 15 1 1 A 15 15 GLU HA H 15 4.240 4.701 -0.461 1
1 132 . 15 1 1 A 15 15 GLU CA C 15 56.900 56.053 0.847 1
1 133 . 15 1 1 A 15 15 GLU CB C 15 29.900 30.915 -1.015 1
1 135 . 15 1 1 A 15 15 GLU N N 15 120.600 120.939 -0.339 1
1 136 . 15 1 1 A 16 16 LEU H H 16 7.740 8.262 -0.522 1
1 137 . 15 1 1 A 16 16 LEU HA H 16 4.360 4.890 -0.530 1
1 147 . 15 1 1 A 16 16 LEU CA C 16 54.000 54.217 -0.217 1
1 148 . 15 1 1 A 16 16 LEU CB C 16 43.300 43.085 0.215 1
1 152 . 15 1 1 A 16 16 LEU N N 16 125.200 126.585 -1.385 1
1 153 . 15 1 1 A 17 17 THR H H 17 8.500 9.185 -0.685 1
1 154 . 15 1 1 A 17 17 THR HA H 17 4.420 4.769 -0.349 1
1 159 . 15 1 1 A 17 17 THR CA C 17 63.100 62.315 0.785 1
1 160 . 15 1 1 A 17 17 THR CB C 17 69.600 70.280 -0.680 1
1 162 . 15 1 1 A 17 17 THR N N 17 127.300 124.477 2.823 1
1 163 . 15 1 1 A 18 18 VAL H H 18 8.840 9.103 -0.263 1
1 164 . 15 1 1 A 18 18 VAL HA H 18 4.490 4.856 -0.366 1
1 172 . 15 1 1 A 18 18 VAL CA C 18 61.100 61.109 -0.009 1
1 173 . 15 1 1 A 18 18 VAL CB C 18 33.300 33.452 -0.152 1
1 176 . 15 1 1 A 18 18 VAL N N 18 127.000 127.257 -0.257 1
1 177 . 15 1 1 A 19 19 LEU H H 19 8.830 9.406 -0.576 1
1 178 . 15 1 1 A 19 19 LEU HA H 19 4.920 4.941 -0.021 1
1 188 . 15 1 1 A 19 19 LEU CA C 19 53.400 53.776 -0.376 1
1 189 . 15 1 1 A 19 19 LEU CB C 19 41.200 43.674 -2.474 1
1 193 . 15 1 1 A 19 19 LEU N N 19 128.500 130.451 -1.951 1
1 194 . 15 1 1 A 20 20 TYR H H 20 8.470 8.592 -0.122 1
1 195 . 15 1 1 A 20 20 TYR HA H 20 4.280 5.143 -0.863 1
1 202 . 15 1 1 A 20 20 TYR CA C 20 55.600 55.859 -0.259 1
1 203 . 15 1 1 A 20 20 TYR CB C 20 38.200 40.590 -2.390 1
1 206 . 15 1 1 A 20 20 TYR N N 20 120.300 122.752 -2.452 1
1 207 . 15 1 1 A 21 21 ASP H H 21 8.920 8.900 0.020 1
1 208 . 15 1 1 A 21 21 ASP HA H 21 4.640 4.871 -0.231 1
1 211 . 15 1 1 A 21 21 ASP CA C 21 53.000 52.721 0.279 1
1 212 . 15 1 1 A 21 21 ASP CB C 21 39.300 42.270 -2.970 1
1 213 . 15 1 1 A 21 21 ASP N N 21 118.600 121.602 -3.002 1
1 214 . 15 1 1 A 22 22 GLU H H 22 7.930 8.922 -0.992 1
1 215 . 15 1 1 A 22 22 GLU HA H 22 4.250 4.033 0.217 1
1 220 . 15 1 1 A 22 22 GLU CA C 22 57.000 59.658 -2.658 1
1 221 . 15 1 1 A 22 22 GLU CB C 22 29.000 29.624 -0.624 1
1 223 . 15 1 1 A 22 22 GLU N N 22 126.600 126.429 0.171 1
1 224 . 15 1 1 A 23 23 GLU H H 23 8.060 8.096 -0.036 1
1 225 . 15 1 1 A 23 23 GLU HA H 23 4.130 4.255 -0.125 1
1 230 . 15 1 1 A 23 23 GLU CA C 23 57.800 57.846 -0.046 1
1 231 . 15 1 1 A 23 23 GLU CB C 23 29.500 29.425 0.075 1
1 233 . 15 1 1 A 23 23 GLU N N 23 117.800 117.607 0.193 1
1 234 . 15 1 1 A 24 24 ARG H H 24 7.070 7.939 -0.869 1
1 235 . 15 1 1 A 24 24 ARG HA H 24 4.170 4.176 -0.006 1
1 243 . 15 1 1 A 24 24 ARG CA C 24 56.500 57.520 -1.020 1
1 244 . 15 1 1 A 24 24 ARG CB C 24 33.500 31.944 1.556 1
1 247 . 15 1 1 A 24 24 ARG N N 24 116.700 119.008 -2.308 1
1 249 . 15 1 1 A 25 25 TYR H H 25 8.150 7.238 0.912 1
1 250 . 15 1 1 A 25 25 TYR HA H 25 5.470 5.155 0.315 1
1 257 . 15 1 1 A 25 25 TYR CA C 25 56.900 56.669 0.231 1
1 258 . 15 1 1 A 25 25 TYR CB C 25 43.100 43.420 -0.320 1
1 261 . 15 1 1 A 25 25 TYR N N 25 116.800 115.430 1.370 1
1 262 . 15 1 1 A 26 26 ASP H H 26 9.120 8.239 0.881 1
1 263 . 15 1 1 A 26 26 ASP HA H 26 5.250 5.140 0.110 1
1 266 . 15 1 1 A 26 26 ASP CA C 26 52.400 52.590 -0.190 1
1 267 . 15 1 1 A 26 26 ASP CB C 26 44.500 45.158 -0.658 1
1 268 . 15 1 1 A 26 26 ASP N N 26 116.900 120.002 -3.102 1
1 269 . 15 1 1 A 27 27 ILE H H 27 8.640 8.745 -0.105 1
1 270 . 15 1 1 A 27 27 ILE HA H 27 4.100 4.066 0.034 1
1 280 . 15 1 1 A 27 27 ILE CA C 27 61.400 61.483 -0.083 1
1 281 . 15 1 1 A 27 27 ILE CB C 27 38.600 36.750 1.850 1
1 285 . 15 1 1 A 27 27 ILE N N 27 121.200 124.676 -3.476 1
1 286 . 15 1 1 A 28 28 VAL H H 28 8.840 9.119 -0.279 1
1 287 . 15 1 1 A 28 28 VAL HA H 28 3.930 3.971 -0.041 1
1 295 . 15 1 1 A 28 28 VAL CA C 28 63.800 64.099 -0.299 1
1 296 . 15 1 1 A 28 28 VAL CB C 28 32.900 32.565 0.335 1
1 299 . 15 1 1 A 28 28 VAL N N 28 128.700 129.271 -0.571 1
1 300 . 15 1 1 A 29 29 GLU H H 29 7.180 7.863 -0.683 1
1 301 . 15 1 1 A 29 29 GLU HA H 29 4.490 4.834 -0.344 1
1 306 . 15 1 1 A 29 29 GLU CA C 29 55.200 54.758 0.442 1
1 307 . 15 1 1 A 29 29 GLU CB C 29 32.900 33.140 -0.240 1
1 309 . 15 1 1 A 29 29 GLU N N 29 116.000 115.750 0.250 1
1 310 . 15 1 1 A 30 30 GLN H H 30 8.760 8.756 0.004 1
1 311 . 15 1 1 A 30 30 GLN HA H 30 5.450 4.973 0.477 1
1 314 . 15 1 1 A 30 30 GLN CA C 30 54.200 54.911 -0.711 1
1 315 . 15 1 1 A 30 30 GLN CB C 30 33.100 30.780 2.320 1
1 316 . 15 1 1 A 30 30 GLN N N 30 117.200 117.919 -0.719 1
1 317 . 15 1 1 A 31 31 THR H H 31 8.200 8.791 -0.591 1
1 318 . 15 1 1 A 31 31 THR HA H 31 4.160 4.373 -0.213 1
1 323 . 15 1 1 A 31 31 THR CA C 31 64.500 63.037 1.463 1
1 324 . 15 1 1 A 31 31 THR CB C 31 70.300 68.509 1.791 1
1 326 . 15 1 1 A 31 31 THR N N 31 119.400 116.923 2.477 1
1 327 . 15 1 1 A 32 32 GLU H H 32 9.230 8.968 0.262 1
1 328 . 15 1 1 A 32 32 GLU HA H 32 4.170 4.194 -0.024 1
1 333 . 15 1 1 A 32 32 GLU CA C 32 60.000 59.277 0.723 1
1 334 . 15 1 1 A 32 32 GLU CB C 32 31.000 30.522 0.478 1
1 336 . 15 1 1 A 32 32 GLU N N 32 129.600 127.774 1.826 1
1 337 . 15 1 1 A 33 33 THR H H 33 7.510 8.053 -0.543 1
1 338 . 15 1 1 A 33 33 THR HA H 33 5.320 5.075 0.245 1
1 343 . 15 1 1 A 33 33 THR CA C 33 58.500 59.906 -1.406 1
1 344 . 15 1 1 A 33 33 THR CB C 33 73.100 71.880 1.220 1
1 346 . 15 1 1 A 33 33 THR N N 33 107.500 109.540 -2.040 1
1 347 . 15 1 1 A 34 34 VAL H H 34 8.700 8.903 -0.203 1
1 348 . 15 1 1 A 34 34 VAL HA H 34 4.670 4.959 -0.289 1
1 356 . 15 1 1 A 34 34 VAL CA C 34 59.200 60.216 -1.016 1
1 357 . 15 1 1 A 34 34 VAL CB C 34 35.200 35.472 -0.272 1
1 360 . 15 1 1 A 34 34 VAL N N 34 112.000 121.144 -9.144 1
1 361 . 15 1 1 A 35 35 GLN H H 35 8.930 8.914 0.016 1
1 362 . 15 1 1 A 35 35 GLN HA H 35 4.790 4.964 -0.174 1
1 369 . 15 1 1 A 35 35 GLN CA C 35 54.800 54.498 0.302 1
1 370 . 15 1 1 A 35 35 GLN CB C 35 29.900 31.884 -1.984 1
1 372 . 15 1 1 A 35 35 GLN N N 35 123.200 125.933 -2.733 1
1 374 . 15 1 1 A 36 36 VAL H H 36 7.940 8.681 -0.741 1
1 375 . 15 1 1 A 36 36 VAL HA H 36 4.850 5.240 -0.390 1
1 383 . 15 1 1 A 36 36 VAL CA C 36 61.300 60.907 0.393 1
1 384 . 15 1 1 A 36 36 VAL CB C 36 34.200 33.685 0.515 1
1 387 . 15 1 1 A 36 36 VAL N N 36 124.300 126.482 -2.182 1
1 388 . 15 1 1 A 37 37 ASP H H 37 8.670 9.285 -0.615 1
1 389 . 15 1 1 A 37 37 ASP HA H 37 5.240 5.265 -0.025 1
1 392 . 15 1 1 A 37 37 ASP CA C 37 53.000 52.819 0.181 1
1 393 . 15 1 1 A 37 37 ASP CB C 37 44.700 44.865 -0.165 1
1 394 . 15 1 1 A 37 37 ASP N N 37 126.900 127.317 -0.417 1
1 395 . 15 1 1 A 38 38 LEU H H 38 8.850 9.192 -0.342 1
1 396 . 15 1 1 A 38 38 LEU HA H 38 5.160 5.305 -0.145 1
1 406 . 15 1 1 A 38 38 LEU CA C 38 52.400 53.190 -0.790 1
1 407 . 15 1 1 A 38 38 LEU CB C 38 46.100 45.391 0.709 1
1 411 . 15 1 1 A 38 38 LEU N N 38 119.100 124.849 -5.749 1
1 412 . 15 1 1 A 39 39 GLU H H 39 8.380 8.951 -0.571 1
1 413 . 15 1 1 A 39 39 GLU HA H 39 5.210 5.382 -0.172 1
1 418 . 15 1 1 A 39 39 GLU CA C 39 54.600 54.767 -0.167 1
1 419 . 15 1 1 A 39 39 GLU CB C 39 33.900 33.163 0.737 1
1 421 . 15 1 1 A 39 39 GLU N N 39 120.800 120.529 0.271 1
1 422 . 15 1 1 A 40 40 GLY H H 40 8.110 8.146 -0.036 1
1 423 . 15 1 1 A 40 40 GLY HA2 H 40 4.230 4.165 0.065 1
1 424 . 15 1 1 A 40 40 GLY HA3 H 40 3.730 4.182 -0.452 1
1 425 . 15 1 1 A 40 40 GLY CA C 40 45.000 45.472 -0.472 1
1 426 . 15 1 1 A 40 40 GLY N N 40 110.000 109.831 0.169 1
1 427 . 15 1 1 A 41 41 PRO HA H 41 4.380 4.600 -0.220 1
1 434 . 15 1 1 A 41 41 PRO CA C 41 62.200 62.883 -0.683 1
1 435 . 15 1 1 A 41 41 PRO CB C 41 32.400 32.626 -0.226 1
1 438 . 15 1 1 A 42 42 ARG H H 42 9.020 8.603 0.417 1
1 439 . 15 1 1 A 42 42 ARG HA H 42 3.790 3.993 -0.203 1
1 446 . 15 1 1 A 42 42 ARG CA C 42 60.400 59.147 1.253 1
1 447 . 15 1 1 A 42 42 ARG CB C 42 29.900 29.983 -0.083 1
1 450 . 15 1 1 A 42 42 ARG N N 42 125.500 122.698 2.802 1
1 451 . 15 1 1 A 43 43 GLY H H 43 9.310 8.482 0.828 1
1 452 . 15 1 1 A 43 43 GLY HA2 H 43 3.890 3.828 0.062 1
1 453 . 15 1 1 A 43 43 GLY HA3 H 43 3.890 3.832 0.058 1
1 454 . 15 1 1 A 43 43 GLY CA C 43 47.000 47.561 -0.561 1
1 455 . 15 1 1 A 43 43 GLY N N 43 107.200 108.661 -1.461 1
1 456 . 15 1 1 A 44 44 VAL H H 44 6.930 8.103 -1.173 1
1 457 . 15 1 1 A 44 44 VAL HA H 44 3.800 3.829 -0.029 1
1 465 . 15 1 1 A 44 44 VAL CA C 44 65.100 65.902 -0.802 1
1 466 . 15 1 1 A 44 44 VAL CB C 44 32.000 32.021 -0.021 1
1 469 . 15 1 1 A 44 44 VAL N N 44 121.100 122.537 -1.437 1
1 470 . 15 1 1 A 45 45 LEU H H 45 7.830 7.921 -0.091 1
1 471 . 15 1 1 A 45 45 LEU HA H 45 3.890 4.018 -0.128 1
1 481 . 15 1 1 A 45 45 LEU CA C 45 58.100 58.113 -0.013 1
1 482 . 15 1 1 A 45 45 LEU CB C 45 41.800 41.622 0.178 1
1 486 . 15 1 1 A 45 45 LEU N N 45 120.700 118.650 2.050 1
1 487 . 15 1 1 A 46 46 THR H H 46 8.340 8.119 0.221 1
1 488 . 15 1 1 A 46 46 THR HA H 46 3.850 3.889 -0.039 1
1 493 . 15 1 1 A 46 46 THR CA C 46 66.800 66.822 -0.022 1
1 494 . 15 1 1 A 46 46 THR CB C 46 68.800 67.858 0.942 1
1 496 . 15 1 1 A 46 46 THR N N 46 114.900 116.123 -1.223 1
1 497 . 15 1 1 A 47 47 VAL H H 47 7.210 7.821 -0.611 1
1 498 . 15 1 1 A 47 47 VAL HA H 47 3.820 4.048 -0.228 1
1 506 . 15 1 1 A 47 47 VAL CA C 47 65.600 66.688 -1.088 1
1 507 . 15 1 1 A 47 47 VAL CB C 47 31.900 31.783 0.117 1
1 510 . 15 1 1 A 47 47 VAL N N 47 119.600 121.347 -1.747 1
1 511 . 15 1 1 A 48 48 PHE H H 48 8.140 8.735 -0.595 1
1 512 . 15 1 1 A 48 48 PHE HA H 48 4.210 4.138 0.072 1
1 520 . 15 1 1 A 48 48 PHE CA C 48 61.100 60.798 0.302 1
1 521 . 15 1 1 A 48 48 PHE CB C 48 39.200 39.344 -0.144 1
1 525 . 15 1 1 A 48 48 PHE N N 48 120.600 120.586 0.014 1
1 526 . 15 1 1 A 49 49 ARG H H 49 8.150 8.101 0.049 1
1 527 . 15 1 1 A 49 49 ARG HA H 49 3.710 4.133 -0.423 1
1 534 . 15 1 1 A 49 49 ARG CA C 49 58.500 57.713 0.787 1
1 535 . 15 1 1 A 49 49 ARG CB C 49 30.000 30.183 -0.183 1
1 538 . 15 1 1 A 49 49 ARG N N 49 117.500 117.934 -0.434 1
1 539 . 15 1 1 A 50 50 PHE H H 50 7.270 7.437 -0.167 1
1 540 . 15 1 1 A 50 50 PHE HA H 50 4.620 4.353 0.267 1
1 548 . 15 1 1 A 50 50 PHE CA C 50 57.700 59.996 -2.296 1
1 549 . 15 1 1 A 50 50 PHE CB C 50 39.600 39.930 -0.330 1
1 553 . 15 1 1 A 50 50 PHE N N 50 115.500 116.390 -0.890 1
1 554 . 15 1 1 A 51 51 ALA H H 51 7.620 7.156 0.464 1
1 555 . 15 1 1 A 51 51 ALA HA H 51 4.320 4.486 -0.166 1
1 559 . 15 1 1 A 51 51 ALA CA C 51 51.700 50.808 0.892 1
1 560 . 15 1 1 A 51 51 ALA CB C 51 19.300 20.494 -1.194 1
1 561 . 15 1 1 A 51 51 ALA N N 51 124.200 120.989 3.211 1
1 562 . 15 1 1 A 52 52 ARG H H 52 8.570 8.286 0.284 1
1 563 . 15 1 1 A 52 52 ARG HA H 52 4.270 4.633 -0.363 1
1 570 . 15 1 1 A 52 52 ARG CA C 52 54.700 54.039 0.661 1
1 571 . 15 1 1 A 52 52 ARG CB C 52 29.300 29.391 -0.091 1
1 574 . 15 1 1 A 52 52 ARG N N 52 123.500 120.709 2.791 1
1 575 . 15 1 1 A 53 53 PRO HA H 53 4.240 4.085 0.155 1
1 582 . 15 1 1 A 53 53 PRO CA C 53 63.600 62.584 1.016 1
1 583 . 15 1 1 A 53 53 PRO CB C 53 31.600 31.518 0.082 1
1 586 . 15 1 1 A 54 54 SER H H 54 8.100 8.196 -0.096 1
1 587 . 15 1 1 A 54 54 SER HA H 54 4.390 4.619 -0.229 1
1 590 . 15 1 1 A 54 54 SER CA C 54 57.200 57.750 -0.550 1
1 591 . 15 1 1 A 54 54 SER CB C 54 63.100 64.703 -1.603 1
1 592 . 15 1 1 A 54 54 SER N N 54 117.200 112.613 4.587 1
1 593 . 15 1 1 A 55 55 TYR H H 55 6.640 7.091 -0.451 1
1 594 . 15 1 1 A 55 55 TYR HA H 55 5.030 4.862 0.168 1
1 601 . 15 1 1 A 55 55 TYR CA C 55 53.900 56.403 -2.503 1
1 602 . 15 1 1 A 55 55 TYR CB C 55 39.200 40.875 -1.675 1
1 605 . 15 1 1 A 55 55 TYR N N 55 119.200 120.108 -0.908 1
1 606 . 15 1 1 A 56 56 GLU H H 56 8.890 9.512 -0.622 1
1 607 . 15 1 1 A 56 56 GLU HA H 56 4.740 5.111 -0.371 1
1 612 . 15 1 1 A 56 56 GLU CA C 56 55.700 55.530 0.170 1
1 613 . 15 1 1 A 56 56 GLU CB C 56 35.000 34.018 0.982 1
1 615 . 15 1 1 A 56 56 GLU N N 56 118.800 120.857 -2.057 1
1 616 . 15 1 1 A 57 57 VAL H H 57 8.830 8.876 -0.046 1
1 617 . 15 1 1 A 57 57 VAL HA H 57 5.370 4.995 0.375 1
1 625 . 15 1 1 A 57 57 VAL CA C 57 59.900 61.517 -1.617 1
1 626 . 15 1 1 A 57 57 VAL CB C 57 33.300 33.338 -0.038 1
1 629 . 15 1 1 A 57 57 VAL N N 57 117.800 126.281 -8.481 1
1 630 . 15 1 1 A 58 58 PHE H H 58 8.870 8.703 0.167 1
1 631 . 15 1 1 A 58 58 PHE HA H 58 6.090 6.078 0.012 1
1 634 . 15 1 1 A 58 58 PHE CA C 58 55.600 55.825 -0.225 1
1 635 . 15 1 1 A 58 58 PHE CB C 58 42.700 42.166 0.534 1
1 636 . 15 1 1 A 58 58 PHE N N 58 120.600 123.172 -2.572 1
1 637 . 15 1 1 A 59 59 VAL H H 59 8.270 9.105 -0.835 1
1 638 . 15 1 1 A 59 59 VAL HA H 59 4.730 4.896 -0.166 1
1 646 . 15 1 1 A 59 59 VAL CA C 59 58.500 59.280 -0.780 1
1 647 . 15 1 1 A 59 59 VAL CB C 59 34.800 35.295 -0.495 1
1 650 . 15 1 1 A 59 59 VAL N N 59 108.700 117.231 -8.531 1
1 651 . 15 1 1 A 60 60 ASP H H 60 9.360 8.909 0.451 1
1 652 . 15 1 1 A 60 60 ASP HA H 60 5.080 4.906 0.174 1
1 655 . 15 1 1 A 60 60 ASP CA C 60 52.700 53.356 -0.656 1
1 656 . 15 1 1 A 60 60 ASP CB C 60 41.100 41.705 -0.605 1
1 657 . 15 1 1 A 60 60 ASP N N 60 123.000 125.163 -2.163 1
1 658 . 15 1 1 A 61 61 LEU H H 61 9.230 9.347 -0.117 1
1 659 . 15 1 1 A 61 61 LEU HA H 61 4.670 4.839 -0.169 1
1 669 . 15 1 1 A 61 61 LEU CA C 61 53.300 53.990 -0.690 1
1 670 . 15 1 1 A 61 61 LEU CB C 61 40.900 43.006 -2.106 1
1 674 . 15 1 1 A 61 61 LEU N N 61 128.600 128.271 0.329 1
1 675 . 15 1 1 A 62 62 THR H H 62 8.720 8.211 0.509 1
1 676 . 15 1 1 A 62 62 THR HA H 62 3.590 4.463 -0.873 1
1 681 . 15 1 1 A 62 62 THR CA C 62 67.000 63.230 3.770 1
1 682 . 15 1 1 A 62 62 THR CB C 62 69.100 69.675 -0.575 1
1 684 . 15 1 1 A 62 62 THR N N 62 115.800 113.255 2.545 1
1 685 . 15 1 1 A 63 63 GLU H H 63 8.490 7.910 0.580 1
1 686 . 15 1 1 A 63 63 GLU HA H 63 4.530 4.250 0.280 1
1 691 . 15 1 1 A 63 63 GLU CA C 63 55.100 59.198 -4.098 1
1 692 . 15 1 1 A 63 63 GLU CB C 63 29.200 29.884 -0.684 1
1 694 . 15 1 1 A 63 63 GLU N N 63 118.800 119.895 -1.095 1
1 695 . 15 1 1 A 64 64 ALA H H 64 7.100 7.473 -0.373 1
1 696 . 15 1 1 A 64 64 ALA HA H 64 4.130 3.934 0.196 1
1 700 . 15 1 1 A 64 64 ALA CA C 64 51.500 52.229 -0.729 1
1 701 . 15 1 1 A 64 64 ALA CB C 64 20.900 19.228 1.672 1
1 702 . 15 1 1 A 64 64 ALA N N 64 123.700 121.391 2.309 1
1 703 . 15 1 1 A 65 65 GLY H H 65 7.800 8.302 -0.502 1
1 704 . 15 1 1 A 65 65 GLY HA2 H 65 4.180 4.109 0.071 1
1 705 . 15 1 1 A 65 65 GLY HA3 H 65 3.540 4.113 -0.573 1
1 706 . 15 1 1 A 65 65 GLY CA C 65 42.600 45.104 -2.504 1
1 707 . 15 1 1 A 65 65 GLY N N 65 106.800 109.620 -2.820 1
1 708 . 15 1 1 A 66 66 GLU H H 66 8.490 7.957 0.533 1
1 709 . 15 1 1 A 66 66 GLU HA H 66 3.750 4.257 -0.507 1
1 714 . 15 1 1 A 66 66 GLU CA C 66 57.400 56.490 0.910 1
1 715 . 15 1 1 A 66 66 GLU CB C 66 30.300 29.960 0.340 1
1 717 . 15 1 1 A 66 66 GLU N N 66 119.900 120.256 -0.356 1
1 718 . 15 1 1 A 67 67 GLY H H 67 8.470 8.466 0.004 1
1 719 . 15 1 1 A 67 67 GLY HA2 H 67 3.770 4.017 -0.247 1
1 720 . 15 1 1 A 67 67 GLY HA3 H 67 4.390 4.044 0.346 1
1 721 . 15 1 1 A 67 67 GLY CA C 67 43.400 44.584 -1.184 1
1 722 . 15 1 1 A 67 67 GLY N N 67 110.800 109.987 0.813 1
1 723 . 15 1 1 A 68 68 SER H H 68 8.250 8.395 -0.145 1
1 724 . 15 1 1 A 68 68 SER HA H 68 4.610 4.749 -0.139 1
1 727 . 15 1 1 A 68 68 SER CA C 68 57.700 58.520 -0.820 1
1 728 . 15 1 1 A 68 68 SER CB C 68 63.300 64.093 -0.793 1
1 729 . 15 1 1 A 68 68 SER N N 68 114.500 116.647 -2.147 1
1 730 . 15 1 1 A 69 69 HIS H H 69 8.780 9.197 -0.417 1
1 731 . 15 1 1 A 69 69 HIS HA H 69 4.790 5.273 -0.483 1
1 734 . 15 1 1 A 69 69 HIS CA C 69 55.300 54.373 0.927 1
1 735 . 15 1 1 A 69 69 HIS CB C 69 33.900 32.971 0.929 1
1 736 . 15 1 1 A 69 69 HIS N N 69 125.400 124.692 0.708 1
1 737 . 15 1 1 A 70 70 THR H H 70 8.870 8.769 0.101 1
1 738 . 15 1 1 A 70 70 THR HA H 70 5.380 5.067 0.313 1
1 743 . 15 1 1 A 70 70 THR CA C 70 61.600 62.128 -0.528 1
1 744 . 15 1 1 A 70 70 THR CB C 70 69.400 69.558 -0.158 1
1 746 . 15 1 1 A 70 70 THR N N 70 121.200 118.513 2.687 1
1 747 . 15 1 1 A 71 71 VAL H H 71 8.860 9.344 -0.484 1
1 748 . 15 1 1 A 71 71 VAL HA H 71 4.730 4.984 -0.254 1
1 756 . 15 1 1 A 71 71 VAL CA C 71 58.900 58.928 -0.028 1
1 757 . 15 1 1 A 71 71 VAL CB C 71 36.000 35.416 0.584 1
1 760 . 15 1 1 A 71 71 VAL N N 71 122.100 120.232 1.868 1
1 761 . 15 1 1 A 72 72 ASP H H 72 8.610 8.525 0.085 1
1 762 . 15 1 1 A 72 72 ASP HA H 72 4.660 4.805 -0.145 1
1 765 . 15 1 1 A 72 72 ASP CA C 72 55.500 53.590 1.910 1
1 766 . 15 1 1 A 72 72 ASP CB C 72 40.800 41.500 -0.700 1
1 767 . 15 1 1 A 72 72 ASP N N 72 124.300 121.643 2.657 1
1 768 . 15 1 1 A 73 73 VAL H H 73 8.090 8.606 -0.516 1
1 769 . 15 1 1 A 73 73 VAL HA H 73 3.770 4.268 -0.498 1
1 777 . 15 1 1 A 73 73 VAL CA C 73 63.600 62.122 1.478 1
1 778 . 15 1 1 A 73 73 VAL CB C 73 31.600 32.580 -0.980 1
1 781 . 15 1 1 A 73 73 VAL N N 73 121.400 122.059 -0.659 1
1 782 . 15 1 1 A 74 74 GLU H H 74 8.900 8.401 0.499 1
1 783 . 15 1 1 A 74 74 GLU HA H 74 4.370 4.672 -0.302 1
1 788 . 15 1 1 A 74 74 GLU CA C 74 54.700 54.802 -0.102 1
1 789 . 15 1 1 A 74 74 GLU CB C 74 33.300 31.854 1.446 1
1 791 . 15 1 1 A 74 74 GLU N N 74 129.600 127.541 2.059 1
1 792 . 15 1 1 A 75 75 HIS H H 75 7.940 8.190 -0.250 1
1 793 . 15 1 1 A 75 75 HIS HA H 75 5.830 5.320 0.510 1
1 796 . 15 1 1 A 75 75 HIS CA C 75 54.100 53.965 0.135 1
1 797 . 15 1 1 A 75 75 HIS CB C 75 39.500 33.109 6.391 1
1 798 . 15 1 1 A 75 75 HIS N N 75 112.800 119.441 -6.641 1
1 799 . 15 1 1 A 76 76 ARG H H 76 9.210 8.882 0.328 1
1 800 . 15 1 1 A 76 76 ARG HA H 76 5.170 4.415 0.755 1
1 805 . 15 1 1 A 76 76 ARG CA C 76 55.300 55.837 -0.537 1
1 806 . 15 1 1 A 76 76 ARG CB C 76 33.400 33.265 0.135 1
1 808 . 15 1 1 A 76 76 ARG N N 76 117.100 120.817 -3.717 1
1 809 . 15 1 1 A 77 77 GLY H H 77 8.740 8.372 0.368 1
1 810 . 15 1 1 A 77 77 GLY HA2 H 77 4.410 4.136 0.274 1
1 811 . 15 1 1 A 77 77 GLY HA3 H 77 3.670 4.271 -0.601 1
1 812 . 15 1 1 A 77 77 GLY CA C 77 45.400 45.565 -0.165 1
1 813 . 15 1 1 A 77 77 GLY N N 77 107.400 113.804 -6.404 1
1 814 . 15 1 1 A 78 78 PHE H H 78 7.920 7.950 -0.030 1
1 815 . 15 1 1 A 78 78 PHE HA H 78 4.450 4.881 -0.431 1
1 823 . 15 1 1 A 78 78 PHE CA C 78 54.200 55.560 -1.360 1
1 824 . 15 1 1 A 78 78 PHE CB C 78 41.000 39.588 1.412 1
1 828 . 15 1 1 A 78 78 PHE N N 78 120.200 119.300 0.900 1
1 829 . 15 1 1 A 79 79 PRO HA H 79 4.470 4.757 -0.287 1
1 836 . 15 1 1 A 79 79 PRO CA C 79 63.300 62.666 0.634 1
1 837 . 15 1 1 A 79 79 PRO CB C 79 32.200 32.323 -0.123 1
1 840 . 15 1 1 A 80 80 GLY H H 80 8.820 8.688 0.132 1
1 841 . 15 1 1 A 80 80 GLY HA2 H 80 4.020 3.993 0.027 1
1 842 . 15 1 1 A 80 80 GLY HA3 H 80 3.890 3.998 -0.108 1
1 843 . 15 1 1 A 80 80 GLY CA C 80 46.600 45.490 1.110 1
1 844 . 15 1 1 A 80 80 GLY N N 80 110.100 110.230 -0.130 1
1 845 . 15 1 1 A 81 81 ASP H H 81 8.360 7.918 0.442 1
1 846 . 15 1 1 A 81 81 ASP HA H 81 4.560 4.446 0.114 1
1 849 . 15 1 1 A 81 81 ASP CA C 81 53.800 56.255 -2.455 1
1 850 . 15 1 1 A 81 81 ASP CB C 81 40.300 41.080 -0.780 1
1 851 . 15 1 1 A 81 81 ASP N N 81 114.800 119.802 -5.002 1
1 852 . 15 1 1 A 82 82 LEU H H 82 7.400 7.392 0.008 1
1 853 . 15 1 1 A 82 82 LEU HA H 82 4.720 4.440 0.280 1
1 863 . 15 1 1 A 82 82 LEU CA C 82 52.800 54.356 -1.556 1
1 864 . 15 1 1 A 82 82 LEU CB C 82 42.900 42.127 0.773 1
1 868 . 15 1 1 A 82 82 LEU N N 82 115.500 121.627 -6.127 1
1 869 . 15 1 1 A 83 83 ALA H H 83 8.930 8.630 0.300 1
1 870 . 15 1 1 A 83 83 ALA HA H 83 4.530 4.480 0.050 1
1 874 . 15 1 1 A 83 83 ALA CA C 83 50.900 51.462 -0.562 1
1 875 . 15 1 1 A 83 83 ALA CB C 83 19.600 18.943 0.657 1
1 876 . 15 1 1 A 83 83 ALA N N 83 124.900 123.547 1.353 1
1 877 . 15 1 1 A 84 84 VAL H H 84 8.570 8.854 -0.284 1
1 878 . 15 1 1 A 84 84 VAL HA H 84 3.930 4.604 -0.674 1
1 886 . 15 1 1 A 84 84 VAL CA C 84 61.300 61.468 -0.168 1
1 887 . 15 1 1 A 84 84 VAL CB C 84 32.800 32.564 0.236 1
1 890 . 15 1 1 A 84 84 VAL N N 84 126.800 124.254 2.546 1
1 891 . 15 1 1 A 85 85 THR H H 85 9.000 9.209 -0.209 1
1 892 . 15 1 1 A 85 85 THR HA H 85 4.440 5.080 -0.640 1
1 897 . 15 1 1 A 85 85 THR CA C 85 61.900 61.571 0.329 1
1 898 . 15 1 1 A 85 85 THR CB C 85 70.100 70.282 -0.182 1
1 900 . 15 1 1 A 85 85 THR N N 85 125.500 124.276 1.224 1
1 901 . 15 1 1 A 86 86 VAL H H 86 8.280 9.051 -0.771 1
1 902 . 15 1 1 A 86 86 VAL HA H 86 5.010 5.199 -0.189 1
1 910 . 15 1 1 A 86 86 VAL CA C 86 59.300 59.372 -0.072 1
1 911 . 15 1 1 A 86 86 VAL CB C 86 33.700 35.096 -1.396 1
1 914 . 15 1 1 A 86 86 VAL N N 86 123.200 124.411 -1.211 1
1 915 . 15 1 1 A 87 87 GLU H H 87 8.560 8.314 0.246 1
1 916 . 15 1 1 A 87 87 GLU HA H 87 4.720 4.811 -0.091 1
1 921 . 15 1 1 A 87 87 GLU CA C 87 52.400 53.794 -1.394 1
1 922 . 15 1 1 A 87 87 GLU CB C 87 33.600 31.206 2.394 1
1 924 . 15 1 1 A 87 87 GLU N N 87 124.400 123.883 0.517 1
1 925 . 15 1 1 A 88 88 PRO HA H 88 4.770 4.880 -0.110 1
1 932 . 15 1 1 A 88 88 PRO CA C 88 62.800 61.818 0.982 1
1 933 . 15 1 1 A 88 88 PRO CB C 88 34.300 32.413 1.887 1
1 936 . 15 1 1 A 89 89 ARG H H 89 8.200 9.028 -0.828 1
1 937 . 15 1 1 A 89 89 ARG HA H 89 4.050 4.275 -0.225 1
1 945 . 15 1 1 A 89 89 ARG CA C 89 57.300 57.413 -0.113 1
1 946 . 15 1 1 A 89 89 ARG CB C 89 30.700 31.344 -0.644 1
1 949 . 15 1 1 A 89 89 ARG N N 89 114.400 119.950 -5.550 1
1 951 . 15 1 1 A 90 90 MET H H 90 7.750 7.736 0.014 1
1 952 . 15 1 1 A 90 90 MET HA H 90 5.060 4.780 0.280 1
1 960 . 15 1 1 A 90 90 MET CA C 90 53.700 54.123 -0.423 1
1 961 . 15 1 1 A 90 90 MET CB C 90 34.700 35.717 -1.017 1
1 964 . 15 1 1 A 90 90 MET N N 90 115.900 117.375 -1.475 1
1 965 . 15 1 1 A 91 91 ALA H H 91 9.020 9.731 -0.711 1
1 966 . 15 1 1 A 91 91 ALA HA H 91 4.640 5.334 -0.694 1
1 970 . 15 1 1 A 91 91 ALA CA C 91 49.300 49.983 -0.683 1
1 971 . 15 1 1 A 91 91 ALA CB C 91 23.600 21.556 2.044 1
1 972 . 15 1 1 A 91 91 ALA N N 91 123.200 127.691 -4.491 1
1 973 . 15 1 1 A 92 92 ARG H H 92 8.370 8.978 -0.608 1
1 974 . 15 1 1 A 92 92 ARG HA H 92 5.480 5.561 -0.081 1
1 982 . 15 1 1 A 92 92 ARG CA C 92 54.000 54.817 -0.817 1
1 983 . 15 1 1 A 92 92 ARG CB C 92 32.600 32.583 0.017 1
1 986 . 15 1 1 A 92 92 ARG N N 92 119.600 123.758 -4.158 1
1 988 . 15 1 1 A 93 93 VAL H H 93 8.920 8.997 -0.077 1
1 989 . 15 1 1 A 93 93 VAL HA H 93 4.510 4.816 -0.306 1
1 997 . 15 1 1 A 93 93 VAL CA C 93 61.000 60.559 0.441 1
1 998 . 15 1 1 A 93 93 VAL CB C 93 36.900 35.693 1.207 1
1 1001 . 15 1 1 A 93 93 VAL N N 93 124.100 126.158 -2.058 1
1 1002 . 15 1 1 A 94 94 GLN H H 94 8.930 9.456 -0.526 1
1 1003 . 15 1 1 A 94 94 GLN HA H 94 5.400 4.952 0.448 1
1 1010 . 15 1 1 A 94 94 GLN CA C 94 53.500 54.362 -0.862 1
1 1011 . 15 1 1 A 94 94 GLN CB C 94 30.300 31.732 -1.432 1
1 1013 . 15 1 1 A 94 94 GLN N N 94 127.900 127.262 0.638 1
1 1015 . 15 1 1 A 95 95 LEU H H 95 8.870 9.220 -0.350 1
1 1016 . 15 1 1 A 95 95 LEU HA H 95 5.390 5.255 0.135 1
1 1026 . 15 1 1 A 95 95 LEU CA C 95 53.000 53.305 -0.305 1
1 1027 . 15 1 1 A 95 95 LEU CB C 95 44.800 43.306 1.494 1
1 1031 . 15 1 1 A 95 95 LEU N N 95 126.400 128.575 -2.175 1
1 1032 . 15 1 1 A 96 96 GLU H H 96 9.300 8.715 0.585 1
1 1033 . 15 1 1 A 96 96 GLU HA H 96 5.000 4.911 0.089 1
1 1038 . 15 1 1 A 96 96 GLU CA C 96 54.300 54.365 -0.065 1
1 1039 . 15 1 1 A 96 96 GLU CB C 96 33.800 33.353 0.447 1
1 1041 . 15 1 1 A 96 96 GLU N N 96 122.700 125.863 -3.163 1
1 1042 . 15 1 1 A 97 97 GLU H H 97 9.730 8.668 1.062 1
1 1043 . 15 1 1 A 97 97 GLU HA H 97 4.360 4.572 -0.212 1
1 1048 . 15 1 1 A 97 97 GLU CA C 97 57.600 57.813 -0.213 1
1 1049 . 15 1 1 A 97 97 GLU CB C 97 30.000 29.471 0.529 1
1 1051 . 15 1 1 A 97 97 GLU N N 97 126.200 127.315 -1.115 1
1 1052 . 15 1 1 A 98 98 ARG H H 98 8.300 8.954 -0.654 1
1 1053 . 15 1 1 A 98 98 ARG HA H 98 4.180 4.293 -0.113 1
1 1061 . 15 1 1 A 98 98 ARG CA C 98 56.800 57.291 -0.491 1
1 1062 . 15 1 1 A 98 98 ARG CB C 98 30.700 29.930 0.770 1
1 1065 . 15 1 1 A 98 98 ARG N N 98 126.500 126.889 -0.389 1
1 1067 . 15 1 1 A 99 99 GLN H H 99 8.810 8.579 0.231 1
1 1068 . 15 1 1 A 99 99 GLN HA H 99 4.370 4.321 0.049 1
1 1075 . 15 1 1 A 99 99 GLN CA C 99 55.600 56.342 -0.742 1
1 1076 . 15 1 1 A 99 99 GLN CB C 99 29.500 28.994 0.506 1
1 1078 . 15 1 1 A 99 99 GLN N N 99 123.700 122.202 1.498 1
1 1080 . 15 1 1 A 100 100 THR H H 100 8.340 8.876 -0.536 1
1 1081 . 15 1 1 A 100 100 THR HA H 100 4.330 4.680 -0.350 1
1 1086 . 15 1 1 A 100 100 THR CA C 100 61.700 61.755 -0.055 1
1 1087 . 15 1 1 A 100 100 THR CB C 100 69.800 71.503 -1.703 1
1 1089 . 15 1 1 A 100 100 THR N N 100 116.700 118.076 -1.376 1
1 1090 . 15 1 1 A 101 101 VAL H H 101 8.290 8.983 -0.693 1
1 1091 . 15 1 1 A 101 101 VAL HA H 101 4.170 4.120 0.050 1
1 1099 . 15 1 1 A 101 101 VAL CA C 101 61.900 63.119 -1.219 1
1 1100 . 15 1 1 A 101 101 VAL CB C 101 32.800 30.858 1.942 1
1 1103 . 15 1 1 A 101 101 VAL N N 101 122.900 127.313 -4.413 1
1 1104 . 15 1 1 A 102 102 SER H H 102 8.490 8.481 0.009 1
1 1105 . 15 1 1 A 102 102 SER HA H 102 4.470 4.740 -0.270 1
1 1108 . 15 1 1 A 102 102 SER CA C 102 58.000 57.891 0.109 1
1 1109 . 15 1 1 A 102 102 SER CB C 102 63.600 64.876 -1.276 1
1 1110 . 15 1 1 A 102 102 SER N N 102 120.700 123.492 -2.792 1
1 1111 . 15 1 1 A 103 103 VAL H H 103 8.240 7.331 0.909 1
1 1112 . 15 1 1 A 103 103 VAL HA H 103 4.420 4.120 0.300 1
1 1120 . 15 1 1 A 103 103 VAL CA C 103 59.700 60.651 -0.951 1
1 1121 . 15 1 1 A 103 103 VAL CB C 103 32.700 32.454 0.246 1
1 1124 . 15 1 1 A 103 103 VAL N N 103 123.900 122.477 1.423 1
1 1125 . 15 1 1 A 104 104 PRO HA H 104 4.420 4.798 -0.378 1
1 1132 . 15 1 1 A 104 104 PRO CA C 104 63.000 62.178 0.822 1
1 1133 . 15 1 1 A 104 104 PRO CB C 104 32.000 32.632 -0.632 1
1 1136 . 15 1 1 A 105 105 VAL H H 105 8.340 8.237 0.103 1
1 1137 . 15 1 1 A 105 105 VAL HA H 105 4.130 4.266 -0.136 1
1 1145 . 15 1 1 A 105 105 VAL CA C 105 62.200 61.376 0.824 1
1 1146 . 15 1 1 A 105 105 VAL CB C 105 32.600 32.082 0.518 1
1 1149 . 15 1 1 A 105 105 VAL N N 105 121.000 117.565 3.435 1
1 1150 . 15 1 1 A 106 106 THR H H 106 8.210 8.657 -0.447 1
1 1151 . 15 1 1 A 106 106 THR HA H 106 4.380 4.564 -0.184 1
1 1156 . 15 1 1 A 106 106 THR CA C 106 61.400 62.017 -0.617 1
1 1157 . 15 1 1 A 106 106 THR CB C 106 70.000 68.856 1.144 1
1 1159 . 15 1 1 A 106 106 THR N N 106 118.700 121.269 -2.569 1
1 1160 . 15 1 1 A 107 107 VAL H H 107 8.280 8.780 -0.500 1
1 1161 . 15 1 1 A 107 107 VAL HA H 107 4.050 4.959 -0.909 1
1 1169 . 15 1 1 A 107 107 VAL CA C 107 62.600 58.949 3.651 1
1 1170 . 15 1 1 A 107 107 VAL CB C 107 32.600 35.885 -3.285 1
1 1173 . 15 1 1 A 107 107 VAL N N 107 122.700 121.678 1.022 1
1 1174 . 15 1 1 A 108 108 GLU H H 108 8.500 8.301 0.199 1
1 1175 . 15 1 1 A 108 108 GLU HA H 108 4.230 4.433 -0.203 1
1 1180 . 15 1 1 A 108 108 GLU CA C 108 56.600 56.205 0.395 1
1 1181 . 15 1 1 A 108 108 GLU CB C 108 30.000 30.659 -0.659 1
1 1183 . 15 1 1 A 108 108 GLU N N 108 124.100 121.877 2.223 1
1 1184 . 15 1 1 A 109 109 MET H H 109 8.570 8.696 -0.126 1
1 1185 . 15 1 1 A 109 109 MET HA H 109 4.460 4.614 -0.154 1
1 1188 . 15 1 1 A 109 109 MET CA C 109 55.300 55.087 0.213 1
1 1189 . 15 1 1 A 109 109 MET CB C 109 26.800 31.910 -5.110 1
1 1190 . 15 1 1 A 109 109 MET N N 109 121.300 122.859 -1.559 1
1 1191 . 15 1 1 A 110 110 ILE H H 110 8.280 8.098 0.182 1
1 1192 . 15 1 1 A 110 110 ILE HA H 110 4.080 4.839 -0.759 1
1 1202 . 15 1 1 A 110 110 ILE CA C 110 61.400 60.249 1.151 1
1 1203 . 15 1 1 A 110 110 ILE CB C 110 38.700 41.302 -2.602 1
1 1207 . 15 1 1 A 110 110 ILE N N 110 122.600 125.996 -3.396 1
1 1208 . 15 1 1 A 111 111 ASN H H 111 8.590 8.710 -0.120 1
1 1209 . 15 1 1 A 111 111 ASN HA H 111 4.690 5.144 -0.454 1
1 1214 . 15 1 1 A 111 111 ASN CA C 111 53.000 53.213 -0.213 1
1 1215 . 15 1 1 A 111 111 ASN CB C 111 38.600 42.709 -4.109 1
1 1216 . 15 1 1 A 111 111 ASN N N 111 122.800 124.810 -2.010 1
1 1218 . 15 1 1 A 112 112 LEU H H 112 8.340 9.025 -0.685 1
1 1219 . 15 1 1 A 112 112 LEU HA H 112 4.240 4.522 -0.282 1
1 1229 . 15 1 1 A 112 112 LEU CA C 112 55.400 54.712 0.688 1
1 1230 . 15 1 1 A 112 112 LEU CB C 112 42.100 42.107 -0.007 1
1 1 . 16 1 1 A 3 3 THR HA H 3 4.250 4.711 -0.461 1
1 6 . 16 1 1 A 3 3 THR CA C 3 62.000 60.335 1.665 1
1 7 . 16 1 1 A 3 3 THR CB C 3 69.700 70.118 -0.418 1
1 9 . 16 1 1 A 4 4 PHE H H 4 8.440 8.108 0.332 1
1 10 . 16 1 1 A 4 4 PHE HA H 4 4.650 5.262 -0.612 1
1 17 . 16 1 1 A 4 4 PHE CA C 4 57.700 55.520 2.180 1
1 18 . 16 1 1 A 4 4 PHE CB C 4 39.400 40.632 -1.232 1
1 21 . 16 1 1 A 4 4 PHE N N 4 122.400 115.594 6.806 1
1 22 . 16 1 1 A 5 5 ASP H H 5 8.500 8.885 -0.385 1
1 23 . 16 1 1 A 5 5 ASP HA H 5 4.600 4.952 -0.352 1
1 26 . 16 1 1 A 5 5 ASP CA C 5 53.900 52.093 1.807 1
1 27 . 16 1 1 A 5 5 ASP CB C 5 40.700 41.034 -0.334 1
1 28 . 16 1 1 A 5 5 ASP N N 5 121.800 124.030 -2.230 1
1 29 . 16 1 1 A 6 6 HIS H H 6 8.240 8.417 -0.177 1
1 30 . 16 1 1 A 6 6 HIS HA H 6 4.780 4.600 0.180 1
1 34 . 16 1 1 A 6 6 HIS CA C 6 55.300 58.042 -2.742 1
1 35 . 16 1 1 A 6 6 HIS CB C 6 31.500 28.464 3.036 1
1 37 . 16 1 1 A 6 6 HIS N N 6 120.400 123.685 -3.285 1
1 38 . 16 1 1 A 7 7 GLY H H 7 8.660 9.347 -0.687 1
1 39 . 16 1 1 A 7 7 GLY HA2 H 7 4.500 4.247 0.253 1
1 40 . 16 1 1 A 7 7 GLY HA3 H 7 3.580 4.320 -0.740 1
1 41 . 16 1 1 A 7 7 GLY CA C 7 44.200 44.173 0.027 1
1 42 . 16 1 1 A 7 7 GLY N N 7 109.200 108.197 1.003 1
1 43 . 16 1 1 A 8 8 ASN H H 8 8.040 8.710 -0.670 1
1 44 . 16 1 1 A 8 8 ASN HA H 8 5.500 5.552 -0.052 1
1 49 . 16 1 1 A 8 8 ASN CA C 8 52.600 51.899 0.701 1
1 50 . 16 1 1 A 8 8 ASN CB C 8 42.700 42.161 0.539 1
1 51 . 16 1 1 A 8 8 ASN N N 8 115.100 119.244 -4.144 1
1 53 . 16 1 1 A 9 9 LEU H H 9 8.850 8.693 0.157 1
1 54 . 16 1 1 A 9 9 LEU HA H 9 4.530 4.758 -0.228 1
1 64 . 16 1 1 A 9 9 LEU CA C 9 54.700 54.360 0.340 1
1 65 . 16 1 1 A 9 9 LEU CB C 9 47.000 45.791 1.209 1
1 69 . 16 1 1 A 9 9 LEU N N 9 123.500 124.071 -0.571 1
1 70 . 16 1 1 A 10 10 SER H H 10 8.850 8.714 0.136 1
1 71 . 16 1 1 A 10 10 SER HA H 10 5.030 5.201 -0.171 1
1 74 . 16 1 1 A 10 10 SER CA C 10 57.000 55.833 1.167 1
1 75 . 16 1 1 A 10 10 SER CB C 10 63.900 65.034 -1.134 1
1 76 . 16 1 1 A 10 10 SER N N 10 121.800 118.277 3.523 1
1 77 . 16 1 1 A 11 11 LEU H H 11 8.820 9.207 -0.387 1
1 78 . 16 1 1 A 11 11 LEU HA H 11 4.460 4.355 0.105 1
1 88 . 16 1 1 A 11 11 LEU CA C 11 54.400 54.923 -0.523 1
1 89 . 16 1 1 A 11 11 LEU CB C 11 41.900 42.718 -0.818 1
1 93 . 16 1 1 A 11 11 LEU N N 11 127.300 125.081 2.219 1
1 94 . 16 1 1 A 12 12 GLY H H 12 8.140 7.920 0.220 1
1 95 . 16 1 1 A 12 12 GLY HA2 H 12 3.720 4.151 -0.431 1
1 96 . 16 1 1 A 12 12 GLY HA3 H 12 4.080 4.179 -0.099 1
1 97 . 16 1 1 A 12 12 GLY CA C 12 44.700 44.501 0.199 1
1 98 . 16 1 1 A 12 12 GLY N N 12 108.000 106.274 1.726 1
1 99 . 16 1 1 A 13 13 GLU H H 13 8.210 8.491 -0.281 1
1 100 . 16 1 1 A 13 13 GLU HA H 13 4.560 4.816 -0.256 1
1 105 . 16 1 1 A 13 13 GLU CA C 13 55.700 56.434 -0.734 1
1 106 . 16 1 1 A 13 13 GLU CB C 13 30.300 29.995 0.305 1
1 108 . 16 1 1 A 13 13 GLU N N 13 119.000 120.662 -1.662 1
1 109 . 16 1 1 A 14 14 LEU H H 14 9.360 9.061 0.299 1
1 110 . 16 1 1 A 14 14 LEU HA H 14 4.720 4.911 -0.191 1
1 120 . 16 1 1 A 14 14 LEU CA C 14 53.400 53.808 -0.408 1
1 121 . 16 1 1 A 14 14 LEU CB C 14 44.200 43.597 0.603 1
1 125 . 16 1 1 A 14 14 LEU N N 14 126.700 127.035 -0.335 1
1 126 . 16 1 1 A 15 15 GLU H H 15 8.680 8.539 0.141 1
1 127 . 16 1 1 A 15 15 GLU HA H 15 4.240 4.512 -0.272 1
1 132 . 16 1 1 A 15 15 GLU CA C 15 56.900 56.411 0.489 1
1 133 . 16 1 1 A 15 15 GLU CB C 15 29.900 30.352 -0.452 1
1 135 . 16 1 1 A 15 15 GLU N N 15 120.600 122.573 -1.973 1
1 136 . 16 1 1 A 16 16 LEU H H 16 7.740 7.993 -0.253 1
1 137 . 16 1 1 A 16 16 LEU HA H 16 4.360 4.851 -0.491 1
1 147 . 16 1 1 A 16 16 LEU CA C 16 54.000 54.316 -0.316 1
1 148 . 16 1 1 A 16 16 LEU CB C 16 43.300 42.924 0.376 1
1 152 . 16 1 1 A 16 16 LEU N N 16 125.200 128.101 -2.901 1
1 153 . 16 1 1 A 17 17 THR H H 17 8.500 9.150 -0.650 1
1 154 . 16 1 1 A 17 17 THR HA H 17 4.420 4.752 -0.332 1
1 159 . 16 1 1 A 17 17 THR CA C 17 63.100 62.251 0.849 1
1 160 . 16 1 1 A 17 17 THR CB C 17 69.600 70.192 -0.592 1
1 162 . 16 1 1 A 17 17 THR N N 17 127.300 124.573 2.727 1
1 163 . 16 1 1 A 18 18 VAL H H 18 8.840 9.207 -0.367 1
1 164 . 16 1 1 A 18 18 VAL HA H 18 4.490 4.844 -0.354 1
1 172 . 16 1 1 A 18 18 VAL CA C 18 61.100 61.057 0.043 1
1 173 . 16 1 1 A 18 18 VAL CB C 18 33.300 33.916 -0.616 1
1 176 . 16 1 1 A 18 18 VAL N N 18 127.000 127.116 -0.116 1
1 177 . 16 1 1 A 19 19 LEU H H 19 8.830 9.608 -0.778 1
1 178 . 16 1 1 A 19 19 LEU HA H 19 4.920 5.167 -0.247 1
1 188 . 16 1 1 A 19 19 LEU CA C 19 53.400 53.642 -0.242 1
1 189 . 16 1 1 A 19 19 LEU CB C 19 41.200 42.258 -1.058 1
1 193 . 16 1 1 A 19 19 LEU N N 19 128.500 128.294 0.206 1
1 194 . 16 1 1 A 20 20 TYR H H 20 8.470 8.540 -0.070 1
1 195 . 16 1 1 A 20 20 TYR HA H 20 4.280 5.183 -0.903 1
1 202 . 16 1 1 A 20 20 TYR CA C 20 55.600 56.058 -0.458 1
1 203 . 16 1 1 A 20 20 TYR CB C 20 38.200 40.513 -2.313 1
1 206 . 16 1 1 A 20 20 TYR N N 20 120.300 121.415 -1.115 1
1 207 . 16 1 1 A 21 21 ASP H H 21 8.920 8.928 -0.008 1
1 208 . 16 1 1 A 21 21 ASP HA H 21 4.640 4.895 -0.255 1
1 211 . 16 1 1 A 21 21 ASP CA C 21 53.000 52.494 0.506 1
1 212 . 16 1 1 A 21 21 ASP CB C 21 39.300 41.618 -2.318 1
1 213 . 16 1 1 A 21 21 ASP N N 21 118.600 121.759 -3.159 1
1 214 . 16 1 1 A 22 22 GLU H H 22 7.930 8.715 -0.785 1
1 215 . 16 1 1 A 22 22 GLU HA H 22 4.250 4.622 -0.372 1
1 220 . 16 1 1 A 22 22 GLU CA C 22 57.000 58.493 -1.493 1
1 221 . 16 1 1 A 22 22 GLU CB C 22 29.000 28.822 0.178 1
1 223 . 16 1 1 A 22 22 GLU N N 22 126.600 125.470 1.130 1
1 224 . 16 1 1 A 23 23 GLU H H 23 8.060 8.026 0.034 1
1 225 . 16 1 1 A 23 23 GLU HA H 23 4.130 4.113 0.017 1
1 230 . 16 1 1 A 23 23 GLU CA C 23 57.800 58.768 -0.968 1
1 231 . 16 1 1 A 23 23 GLU CB C 23 29.500 29.617 -0.117 1
1 233 . 16 1 1 A 23 23 GLU N N 23 117.800 118.875 -1.075 1
1 234 . 16 1 1 A 24 24 ARG H H 24 7.070 7.595 -0.525 1
1 235 . 16 1 1 A 24 24 ARG HA H 24 4.170 4.211 -0.041 1
1 243 . 16 1 1 A 24 24 ARG CA C 24 56.500 56.956 -0.456 1
1 244 . 16 1 1 A 24 24 ARG CB C 24 33.500 31.594 1.906 1
1 247 . 16 1 1 A 24 24 ARG N N 24 116.700 116.876 -0.176 1
1 249 . 16 1 1 A 25 25 TYR H H 25 8.150 8.260 -0.110 1
1 250 . 16 1 1 A 25 25 TYR HA H 25 5.470 5.333 0.137 1
1 257 . 16 1 1 A 25 25 TYR CA C 25 56.900 56.906 -0.006 1
1 258 . 16 1 1 A 25 25 TYR CB C 25 43.100 41.349 1.751 1
1 261 . 16 1 1 A 25 25 TYR N N 25 116.800 116.020 0.780 1
1 262 . 16 1 1 A 26 26 ASP H H 26 9.120 9.343 -0.223 1
1 263 . 16 1 1 A 26 26 ASP HA H 26 5.250 5.467 -0.217 1
1 266 . 16 1 1 A 26 26 ASP CA C 26 52.400 52.706 -0.306 1
1 267 . 16 1 1 A 26 26 ASP CB C 26 44.500 44.903 -0.403 1
1 268 . 16 1 1 A 26 26 ASP N N 26 116.900 120.628 -3.728 1
1 269 . 16 1 1 A 27 27 ILE H H 27 8.640 8.939 -0.299 1
1 270 . 16 1 1 A 27 27 ILE HA H 27 4.100 4.109 -0.009 1
1 280 . 16 1 1 A 27 27 ILE CA C 27 61.400 60.873 0.527 1
1 281 . 16 1 1 A 27 27 ILE CB C 27 38.600 36.824 1.776 1
1 285 . 16 1 1 A 27 27 ILE N N 27 121.200 125.084 -3.884 1
1 286 . 16 1 1 A 28 28 VAL H H 28 8.840 8.764 0.076 1
1 287 . 16 1 1 A 28 28 VAL HA H 28 3.930 3.932 -0.002 1
1 295 . 16 1 1 A 28 28 VAL CA C 28 63.800 64.210 -0.410 1
1 296 . 16 1 1 A 28 28 VAL CB C 28 32.900 32.511 0.389 1
1 299 . 16 1 1 A 28 28 VAL N N 28 128.700 129.532 -0.832 1
1 300 . 16 1 1 A 29 29 GLU H H 29 7.180 7.686 -0.506 1
1 301 . 16 1 1 A 29 29 GLU HA H 29 4.490 4.738 -0.248 1
1 306 . 16 1 1 A 29 29 GLU CA C 29 55.200 55.151 0.049 1
1 307 . 16 1 1 A 29 29 GLU CB C 29 32.900 32.856 0.044 1
1 309 . 16 1 1 A 29 29 GLU N N 29 116.000 115.054 0.946 1
1 310 . 16 1 1 A 30 30 GLN H H 30 8.760 8.865 -0.105 1
1 311 . 16 1 1 A 30 30 GLN HA H 30 5.450 4.929 0.521 1
1 314 . 16 1 1 A 30 30 GLN CA C 30 54.200 54.293 -0.093 1
1 315 . 16 1 1 A 30 30 GLN CB C 30 33.100 31.611 1.489 1
1 316 . 16 1 1 A 30 30 GLN N N 30 117.200 118.408 -1.208 1
1 317 . 16 1 1 A 31 31 THR H H 31 8.200 8.718 -0.518 1
1 318 . 16 1 1 A 31 31 THR HA H 31 4.160 4.225 -0.065 1
1 323 . 16 1 1 A 31 31 THR CA C 31 64.500 64.233 0.267 1
1 324 . 16 1 1 A 31 31 THR CB C 31 70.300 68.867 1.433 1
1 326 . 16 1 1 A 31 31 THR N N 31 119.400 116.273 3.127 1
1 327 . 16 1 1 A 32 32 GLU H H 32 9.230 8.841 0.389 1
1 328 . 16 1 1 A 32 32 GLU HA H 32 4.170 4.276 -0.106 1
1 333 . 16 1 1 A 32 32 GLU CA C 32 60.000 59.220 0.780 1
1 334 . 16 1 1 A 32 32 GLU CB C 32 31.000 29.285 1.715 1
1 336 . 16 1 1 A 32 32 GLU N N 32 129.600 124.605 4.995 1
1 337 . 16 1 1 A 33 33 THR H H 33 7.510 8.155 -0.645 1
1 338 . 16 1 1 A 33 33 THR HA H 33 5.320 5.297 0.023 1
1 343 . 16 1 1 A 33 33 THR CA C 33 58.500 60.263 -1.763 1
1 344 . 16 1 1 A 33 33 THR CB C 33 73.100 72.065 1.035 1
1 346 . 16 1 1 A 33 33 THR N N 33 107.500 110.855 -3.355 1
1 347 . 16 1 1 A 34 34 VAL H H 34 8.700 8.960 -0.260 1
1 348 . 16 1 1 A 34 34 VAL HA H 34 4.670 4.925 -0.255 1
1 356 . 16 1 1 A 34 34 VAL CA C 34 59.200 58.824 0.376 1
1 357 . 16 1 1 A 34 34 VAL CB C 34 35.200 35.153 0.047 1
1 360 . 16 1 1 A 34 34 VAL N N 34 112.000 116.606 -4.606 1
1 361 . 16 1 1 A 35 35 GLN H H 35 8.930 8.886 0.044 1
1 362 . 16 1 1 A 35 35 GLN HA H 35 4.790 4.719 0.071 1
1 369 . 16 1 1 A 35 35 GLN CA C 35 54.800 54.763 0.037 1
1 370 . 16 1 1 A 35 35 GLN CB C 35 29.900 30.128 -0.228 1
1 372 . 16 1 1 A 35 35 GLN N N 35 123.200 123.007 0.193 1
1 374 . 16 1 1 A 36 36 VAL H H 36 7.940 8.526 -0.586 1
1 375 . 16 1 1 A 36 36 VAL HA H 36 4.850 4.991 -0.141 1
1 383 . 16 1 1 A 36 36 VAL CA C 36 61.300 61.343 -0.043 1
1 384 . 16 1 1 A 36 36 VAL CB C 36 34.200 33.118 1.082 1
1 387 . 16 1 1 A 36 36 VAL N N 36 124.300 127.064 -2.764 1
1 388 . 16 1 1 A 37 37 ASP H H 37 8.670 9.258 -0.588 1
1 389 . 16 1 1 A 37 37 ASP HA H 37 5.240 5.290 -0.050 1
1 392 . 16 1 1 A 37 37 ASP CA C 37 53.000 52.623 0.377 1
1 393 . 16 1 1 A 37 37 ASP CB C 37 44.700 43.905 0.795 1
1 394 . 16 1 1 A 37 37 ASP N N 37 126.900 127.415 -0.515 1
1 395 . 16 1 1 A 38 38 LEU H H 38 8.850 9.591 -0.741 1
1 396 . 16 1 1 A 38 38 LEU HA H 38 5.160 5.171 -0.011 1
1 406 . 16 1 1 A 38 38 LEU CA C 38 52.400 53.239 -0.839 1
1 407 . 16 1 1 A 38 38 LEU CB C 38 46.100 43.428 2.672 1
1 411 . 16 1 1 A 38 38 LEU N N 38 119.100 124.996 -5.896 1
1 412 . 16 1 1 A 39 39 GLU H H 39 8.380 8.791 -0.411 1
1 413 . 16 1 1 A 39 39 GLU HA H 39 5.210 5.115 0.095 1
1 418 . 16 1 1 A 39 39 GLU CA C 39 54.600 54.663 -0.063 1
1 419 . 16 1 1 A 39 39 GLU CB C 39 33.900 32.937 0.963 1
1 421 . 16 1 1 A 39 39 GLU N N 39 120.800 121.932 -1.132 1
1 422 . 16 1 1 A 40 40 GLY H H 40 8.110 7.913 0.197 1
1 423 . 16 1 1 A 40 40 GLY HA2 H 40 4.230 3.818 0.412 1
1 424 . 16 1 1 A 40 40 GLY HA3 H 40 3.730 3.937 -0.207 1
1 425 . 16 1 1 A 40 40 GLY CA C 40 45.000 43.909 1.091 1
1 426 . 16 1 1 A 40 40 GLY N N 40 110.000 108.621 1.379 1
1 427 . 16 1 1 A 41 41 PRO HA H 41 4.380 4.508 -0.128 1
1 434 . 16 1 1 A 41 41 PRO CA C 41 62.200 63.059 -0.859 1
1 435 . 16 1 1 A 41 41 PRO CB C 41 32.400 31.757 0.643 1
1 438 . 16 1 1 A 42 42 ARG H H 42 9.020 8.471 0.549 1
1 439 . 16 1 1 A 42 42 ARG HA H 42 3.790 3.878 -0.088 1
1 446 . 16 1 1 A 42 42 ARG CA C 42 60.400 58.742 1.658 1
1 447 . 16 1 1 A 42 42 ARG CB C 42 29.900 29.524 0.376 1
1 450 . 16 1 1 A 42 42 ARG N N 42 125.500 123.764 1.736 1
1 451 . 16 1 1 A 43 43 GLY H H 43 9.310 8.240 1.070 1
1 452 . 16 1 1 A 43 43 GLY HA2 H 43 3.890 3.628 0.262 1
1 453 . 16 1 1 A 43 43 GLY HA3 H 43 3.890 3.645 0.245 1
1 454 . 16 1 1 A 43 43 GLY CA C 43 47.000 47.478 -0.478 1
1 455 . 16 1 1 A 43 43 GLY N N 43 107.200 108.879 -1.679 1
1 456 . 16 1 1 A 44 44 VAL H H 44 6.930 8.225 -1.295 1
1 457 . 16 1 1 A 44 44 VAL HA H 44 3.800 3.771 0.029 1
1 465 . 16 1 1 A 44 44 VAL CA C 44 65.100 65.955 -0.855 1
1 466 . 16 1 1 A 44 44 VAL CB C 44 32.000 31.872 0.128 1
1 469 . 16 1 1 A 44 44 VAL N N 44 121.100 122.716 -1.616 1
1 470 . 16 1 1 A 45 45 LEU H H 45 7.830 7.553 0.277 1
1 471 . 16 1 1 A 45 45 LEU HA H 45 3.890 3.872 0.018 1
1 481 . 16 1 1 A 45 45 LEU CA C 45 58.100 57.772 0.328 1
1 482 . 16 1 1 A 45 45 LEU CB C 45 41.800 40.883 0.917 1
1 486 . 16 1 1 A 45 45 LEU N N 45 120.700 119.674 1.026 1
1 487 . 16 1 1 A 46 46 THR H H 46 8.340 7.949 0.391 1
1 488 . 16 1 1 A 46 46 THR HA H 46 3.850 3.734 0.116 1
1 493 . 16 1 1 A 46 46 THR CA C 46 66.800 66.598 0.202 1
1 494 . 16 1 1 A 46 46 THR CB C 46 68.800 68.037 0.763 1
1 496 . 16 1 1 A 46 46 THR N N 46 114.900 116.008 -1.108 1
1 497 . 16 1 1 A 47 47 VAL H H 47 7.210 7.993 -0.783 1
1 498 . 16 1 1 A 47 47 VAL HA H 47 3.820 3.889 -0.069 1
1 506 . 16 1 1 A 47 47 VAL CA C 47 65.600 66.650 -1.050 1
1 507 . 16 1 1 A 47 47 VAL CB C 47 31.900 31.628 0.272 1
1 510 . 16 1 1 A 47 47 VAL N N 47 119.600 121.034 -1.434 1
1 511 . 16 1 1 A 48 48 PHE H H 48 8.140 8.709 -0.569 1
1 512 . 16 1 1 A 48 48 PHE HA H 48 4.210 4.122 0.088 1
1 520 . 16 1 1 A 48 48 PHE CA C 48 61.100 61.264 -0.164 1
1 521 . 16 1 1 A 48 48 PHE CB C 48 39.200 39.188 0.012 1
1 525 . 16 1 1 A 48 48 PHE N N 48 120.600 120.493 0.107 1
1 526 . 16 1 1 A 49 49 ARG H H 49 8.150 7.895 0.255 1
1 527 . 16 1 1 A 49 49 ARG HA H 49 3.710 4.008 -0.298 1
1 534 . 16 1 1 A 49 49 ARG CA C 49 58.500 58.908 -0.408 1
1 535 . 16 1 1 A 49 49 ARG CB C 49 30.000 29.681 0.319 1
1 538 . 16 1 1 A 49 49 ARG N N 49 117.500 118.735 -1.235 1
1 539 . 16 1 1 A 50 50 PHE H H 50 7.270 7.169 0.101 1
1 540 . 16 1 1 A 50 50 PHE HA H 50 4.620 4.254 0.366 1
1 548 . 16 1 1 A 50 50 PHE CA C 50 57.700 59.932 -2.232 1
1 549 . 16 1 1 A 50 50 PHE CB C 50 39.600 39.400 0.200 1
1 553 . 16 1 1 A 50 50 PHE N N 50 115.500 116.191 -0.691 1
1 554 . 16 1 1 A 51 51 ALA H H 51 7.620 7.521 0.099 1
1 555 . 16 1 1 A 51 51 ALA HA H 51 4.320 4.358 -0.038 1
1 559 . 16 1 1 A 51 51 ALA CA C 51 51.700 51.580 0.120 1
1 560 . 16 1 1 A 51 51 ALA CB C 51 19.300 20.641 -1.341 1
1 561 . 16 1 1 A 51 51 ALA N N 51 124.200 121.215 2.985 1
1 562 . 16 1 1 A 52 52 ARG H H 52 8.570 8.473 0.097 1
1 563 . 16 1 1 A 52 52 ARG HA H 52 4.270 4.425 -0.155 1
1 570 . 16 1 1 A 52 52 ARG CA C 52 54.700 54.613 0.087 1
1 571 . 16 1 1 A 52 52 ARG CB C 52 29.300 29.474 -0.174 1
1 574 . 16 1 1 A 52 52 ARG N N 52 123.500 120.586 2.914 1
1 575 . 16 1 1 A 53 53 PRO HA H 53 4.240 4.345 -0.105 1
1 582 . 16 1 1 A 53 53 PRO CA C 53 63.600 62.503 1.097 1
1 583 . 16 1 1 A 53 53 PRO CB C 53 31.600 31.700 -0.100 1
1 586 . 16 1 1 A 54 54 SER H H 54 8.100 8.826 -0.726 1
1 587 . 16 1 1 A 54 54 SER HA H 54 4.390 4.635 -0.245 1
1 590 . 16 1 1 A 54 54 SER CA C 54 57.200 57.780 -0.580 1
1 591 . 16 1 1 A 54 54 SER CB C 54 63.100 64.579 -1.479 1
1 592 . 16 1 1 A 54 54 SER N N 54 117.200 116.192 1.008 1
1 593 . 16 1 1 A 55 55 TYR H H 55 6.640 7.233 -0.593 1
1 594 . 16 1 1 A 55 55 TYR HA H 55 5.030 4.741 0.289 1
1 601 . 16 1 1 A 55 55 TYR CA C 55 53.900 57.676 -3.776 1
1 602 . 16 1 1 A 55 55 TYR CB C 55 39.200 39.895 -0.695 1
1 605 . 16 1 1 A 55 55 TYR N N 55 119.200 119.909 -0.709 1
1 606 . 16 1 1 A 56 56 GLU H H 56 8.890 9.378 -0.488 1
1 607 . 16 1 1 A 56 56 GLU HA H 56 4.740 5.241 -0.501 1
1 612 . 16 1 1 A 56 56 GLU CA C 56 55.700 55.228 0.472 1
1 613 . 16 1 1 A 56 56 GLU CB C 56 35.000 33.790 1.210 1
1 615 . 16 1 1 A 56 56 GLU N N 56 118.800 123.499 -4.699 1
1 616 . 16 1 1 A 57 57 VAL H H 57 8.830 8.842 -0.012 1
1 617 . 16 1 1 A 57 57 VAL HA H 57 5.370 4.982 0.388 1
1 625 . 16 1 1 A 57 57 VAL CA C 57 59.900 61.430 -1.530 1
1 626 . 16 1 1 A 57 57 VAL CB C 57 33.300 33.389 -0.089 1
1 629 . 16 1 1 A 57 57 VAL N N 57 117.800 126.218 -8.418 1
1 630 . 16 1 1 A 58 58 PHE H H 58 8.870 8.693 0.177 1
1 631 . 16 1 1 A 58 58 PHE HA H 58 6.090 6.067 0.023 1
1 634 . 16 1 1 A 58 58 PHE CA C 58 55.600 55.564 0.036 1
1 635 . 16 1 1 A 58 58 PHE CB C 58 42.700 43.007 -0.307 1
1 636 . 16 1 1 A 58 58 PHE N N 58 120.600 123.335 -2.735 1
1 637 . 16 1 1 A 59 59 VAL H H 59 8.270 8.951 -0.681 1
1 638 . 16 1 1 A 59 59 VAL HA H 59 4.730 4.836 -0.106 1
1 646 . 16 1 1 A 59 59 VAL CA C 59 58.500 60.676 -2.176 1
1 647 . 16 1 1 A 59 59 VAL CB C 59 34.800 34.572 0.228 1
1 650 . 16 1 1 A 59 59 VAL N N 59 108.700 120.819 -12.119 1
1 651 . 16 1 1 A 60 60 ASP H H 60 9.360 8.935 0.425 1
1 652 . 16 1 1 A 60 60 ASP HA H 60 5.080 4.964 0.116 1
1 655 . 16 1 1 A 60 60 ASP CA C 60 52.700 52.993 -0.293 1
1 656 . 16 1 1 A 60 60 ASP CB C 60 41.100 41.912 -0.812 1
1 657 . 16 1 1 A 60 60 ASP N N 60 123.000 127.687 -4.687 1
1 658 . 16 1 1 A 61 61 LEU H H 61 9.230 8.720 0.510 1
1 659 . 16 1 1 A 61 61 LEU HA H 61 4.670 4.726 -0.056 1
1 669 . 16 1 1 A 61 61 LEU CA C 61 53.300 54.064 -0.764 1
1 670 . 16 1 1 A 61 61 LEU CB C 61 40.900 43.082 -2.182 1
1 674 . 16 1 1 A 61 61 LEU N N 61 128.600 127.449 1.151 1
1 675 . 16 1 1 A 62 62 THR H H 62 8.720 7.771 0.949 1
1 676 . 16 1 1 A 62 62 THR HA H 62 3.590 4.108 -0.518 1
1 681 . 16 1 1 A 62 62 THR CA C 62 67.000 66.082 0.918 1
1 682 . 16 1 1 A 62 62 THR CB C 62 69.100 68.547 0.553 1
1 684 . 16 1 1 A 62 62 THR N N 62 115.800 114.363 1.437 1
1 685 . 16 1 1 A 63 63 GLU H H 63 8.490 7.742 0.748 1
1 686 . 16 1 1 A 63 63 GLU HA H 63 4.530 4.431 0.099 1
1 691 . 16 1 1 A 63 63 GLU CA C 63 55.100 55.990 -0.890 1
1 692 . 16 1 1 A 63 63 GLU CB C 63 29.200 30.401 -1.201 1
1 694 . 16 1 1 A 63 63 GLU N N 63 118.800 116.501 2.299 1
1 695 . 16 1 1 A 64 64 ALA H H 64 7.100 7.414 -0.314 1
1 696 . 16 1 1 A 64 64 ALA HA H 64 4.130 4.214 -0.084 1
1 700 . 16 1 1 A 64 64 ALA CA C 64 51.500 50.609 0.891 1
1 701 . 16 1 1 A 64 64 ALA CB C 64 20.900 20.409 0.491 1
1 702 . 16 1 1 A 64 64 ALA N N 64 123.700 123.466 0.234 1
1 703 . 16 1 1 A 65 65 GLY H H 65 7.800 8.250 -0.450 1
1 704 . 16 1 1 A 65 65 GLY HA2 H 65 4.180 3.104 1.076 1
1 705 . 16 1 1 A 65 65 GLY HA3 H 65 3.540 3.961 -0.421 1
1 706 . 16 1 1 A 65 65 GLY CA C 65 42.600 44.072 -1.472 1
1 707 . 16 1 1 A 65 65 GLY N N 65 106.800 108.895 -2.095 1
1 708 . 16 1 1 A 66 66 GLU H H 66 8.490 8.409 0.081 1
1 709 . 16 1 1 A 66 66 GLU HA H 66 3.750 4.926 -1.176 1
1 714 . 16 1 1 A 66 66 GLU CA C 66 57.400 56.705 0.695 1
1 715 . 16 1 1 A 66 66 GLU CB C 66 30.300 31.017 -0.717 1
1 717 . 16 1 1 A 66 66 GLU N N 66 119.900 121.663 -1.763 1
1 718 . 16 1 1 A 67 67 GLY H H 67 8.470 8.218 0.252 1
1 719 . 16 1 1 A 67 67 GLY HA2 H 67 3.770 3.956 -0.186 1
1 720 . 16 1 1 A 67 67 GLY HA3 H 67 4.390 4.037 0.353 1
1 721 . 16 1 1 A 67 67 GLY CA C 67 43.400 44.090 -0.690 1
1 722 . 16 1 1 A 67 67 GLY N N 67 110.800 109.458 1.342 1
1 723 . 16 1 1 A 68 68 SER H H 68 8.250 8.150 0.100 1
1 724 . 16 1 1 A 68 68 SER HA H 68 4.610 4.713 -0.103 1
1 727 . 16 1 1 A 68 68 SER CA C 68 57.700 57.920 -0.220 1
1 728 . 16 1 1 A 68 68 SER CB C 68 63.300 63.888 -0.588 1
1 729 . 16 1 1 A 68 68 SER N N 68 114.500 114.850 -0.350 1
1 730 . 16 1 1 A 69 69 HIS H H 69 8.780 8.922 -0.142 1
1 731 . 16 1 1 A 69 69 HIS HA H 69 4.790 5.107 -0.317 1
1 734 . 16 1 1 A 69 69 HIS CA C 69 55.300 54.706 0.594 1
1 735 . 16 1 1 A 69 69 HIS CB C 69 33.900 32.235 1.665 1
1 736 . 16 1 1 A 69 69 HIS N N 69 125.400 123.936 1.464 1
1 737 . 16 1 1 A 70 70 THR H H 70 8.870 8.920 -0.050 1
1 738 . 16 1 1 A 70 70 THR HA H 70 5.380 5.331 0.049 1
1 743 . 16 1 1 A 70 70 THR CA C 70 61.600 62.141 -0.541 1
1 744 . 16 1 1 A 70 70 THR CB C 70 69.400 70.135 -0.735 1
1 746 . 16 1 1 A 70 70 THR N N 70 121.200 118.549 2.651 1
1 747 . 16 1 1 A 71 71 VAL H H 71 8.860 9.002 -0.142 1
1 748 . 16 1 1 A 71 71 VAL HA H 71 4.730 5.015 -0.285 1
1 756 . 16 1 1 A 71 71 VAL CA C 71 58.900 58.805 0.095 1
1 757 . 16 1 1 A 71 71 VAL CB C 71 36.000 36.078 -0.078 1
1 760 . 16 1 1 A 71 71 VAL N N 71 122.100 119.569 2.531 1
1 761 . 16 1 1 A 72 72 ASP H H 72 8.610 8.551 0.059 1
1 762 . 16 1 1 A 72 72 ASP HA H 72 4.660 4.876 -0.216 1
1 765 . 16 1 1 A 72 72 ASP CA C 72 55.500 53.680 1.820 1
1 766 . 16 1 1 A 72 72 ASP CB C 72 40.800 41.175 -0.375 1
1 767 . 16 1 1 A 72 72 ASP N N 72 124.300 121.742 2.558 1
1 768 . 16 1 1 A 73 73 VAL H H 73 8.090 8.573 -0.483 1
1 769 . 16 1 1 A 73 73 VAL HA H 73 3.770 4.130 -0.360 1
1 777 . 16 1 1 A 73 73 VAL CA C 73 63.600 62.153 1.447 1
1 778 . 16 1 1 A 73 73 VAL CB C 73 31.600 32.480 -0.880 1
1 781 . 16 1 1 A 73 73 VAL N N 73 121.400 123.864 -2.464 1
1 782 . 16 1 1 A 74 74 GLU H H 74 8.900 8.767 0.133 1
1 783 . 16 1 1 A 74 74 GLU HA H 74 4.370 4.458 -0.088 1
1 788 . 16 1 1 A 74 74 GLU CA C 74 54.700 55.523 -0.823 1
1 789 . 16 1 1 A 74 74 GLU CB C 74 33.300 30.707 2.593 1
1 791 . 16 1 1 A 74 74 GLU N N 74 129.600 127.836 1.764 1
1 792 . 16 1 1 A 75 75 HIS H H 75 7.940 8.257 -0.317 1
1 793 . 16 1 1 A 75 75 HIS HA H 75 5.830 5.432 0.398 1
1 796 . 16 1 1 A 75 75 HIS CA C 75 54.100 53.510 0.590 1
1 797 . 16 1 1 A 75 75 HIS CB C 75 39.500 33.511 5.989 1
1 798 . 16 1 1 A 75 75 HIS N N 75 112.800 119.629 -6.829 1
1 799 . 16 1 1 A 76 76 ARG H H 76 9.210 8.549 0.661 1
1 800 . 16 1 1 A 76 76 ARG HA H 76 5.170 4.995 0.175 1
1 805 . 16 1 1 A 76 76 ARG CA C 76 55.300 55.001 0.299 1
1 806 . 16 1 1 A 76 76 ARG CB C 76 33.400 34.386 -0.986 1
1 808 . 16 1 1 A 76 76 ARG N N 76 117.100 121.344 -4.244 1
1 809 . 16 1 1 A 77 77 GLY H H 77 8.740 8.184 0.556 1
1 810 . 16 1 1 A 77 77 GLY HA2 H 77 4.410 4.064 0.346 1
1 811 . 16 1 1 A 77 77 GLY HA3 H 77 3.670 4.111 -0.441 1
1 812 . 16 1 1 A 77 77 GLY CA C 77 45.400 45.702 -0.302 1
1 813 . 16 1 1 A 77 77 GLY N N 77 107.400 112.935 -5.535 1
1 814 . 16 1 1 A 78 78 PHE H H 78 7.920 7.773 0.147 1
1 815 . 16 1 1 A 78 78 PHE HA H 78 4.450 4.902 -0.452 1
1 823 . 16 1 1 A 78 78 PHE CA C 78 54.200 55.757 -1.557 1
1 824 . 16 1 1 A 78 78 PHE CB C 78 41.000 39.239 1.761 1
1 828 . 16 1 1 A 78 78 PHE N N 78 120.200 120.126 0.074 1
1 829 . 16 1 1 A 79 79 PRO HA H 79 4.470 4.679 -0.209 1
1 836 . 16 1 1 A 79 79 PRO CA C 79 63.300 62.435 0.865 1
1 837 . 16 1 1 A 79 79 PRO CB C 79 32.200 32.455 -0.255 1
1 840 . 16 1 1 A 80 80 GLY H H 80 8.820 8.752 0.068 1
1 841 . 16 1 1 A 80 80 GLY HA2 H 80 4.020 3.967 0.053 1
1 842 . 16 1 1 A 80 80 GLY HA3 H 80 3.890 4.006 -0.116 1
1 843 . 16 1 1 A 80 80 GLY CA C 80 46.600 46.416 0.184 1
1 844 . 16 1 1 A 80 80 GLY N N 80 110.100 109.346 0.754 1
1 845 . 16 1 1 A 81 81 ASP H H 81 8.360 7.812 0.548 1
1 846 . 16 1 1 A 81 81 ASP HA H 81 4.560 4.543 0.017 1
1 849 . 16 1 1 A 81 81 ASP CA C 81 53.800 56.209 -2.409 1
1 850 . 16 1 1 A 81 81 ASP CB C 81 40.300 41.493 -1.193 1
1 851 . 16 1 1 A 81 81 ASP N N 81 114.800 119.819 -5.019 1
1 852 . 16 1 1 A 82 82 LEU H H 82 7.400 7.451 -0.051 1
1 853 . 16 1 1 A 82 82 LEU HA H 82 4.720 4.523 0.197 1
1 863 . 16 1 1 A 82 82 LEU CA C 82 52.800 54.036 -1.236 1
1 864 . 16 1 1 A 82 82 LEU CB C 82 42.900 42.276 0.624 1
1 868 . 16 1 1 A 82 82 LEU N N 82 115.500 120.084 -4.584 1
1 869 . 16 1 1 A 83 83 ALA H H 83 8.930 8.656 0.274 1
1 870 . 16 1 1 A 83 83 ALA HA H 83 4.530 4.544 -0.014 1
1 874 . 16 1 1 A 83 83 ALA CA C 83 50.900 51.328 -0.428 1
1 875 . 16 1 1 A 83 83 ALA CB C 83 19.600 19.239 0.361 1
1 876 . 16 1 1 A 83 83 ALA N N 83 124.900 123.398 1.502 1
1 877 . 16 1 1 A 84 84 VAL H H 84 8.570 9.023 -0.453 1
1 878 . 16 1 1 A 84 84 VAL HA H 84 3.930 4.439 -0.509 1
1 886 . 16 1 1 A 84 84 VAL CA C 84 61.300 61.391 -0.091 1
1 887 . 16 1 1 A 84 84 VAL CB C 84 32.800 32.647 0.153 1
1 890 . 16 1 1 A 84 84 VAL N N 84 126.800 124.105 2.695 1
1 891 . 16 1 1 A 85 85 THR H H 85 9.000 9.076 -0.076 1
1 892 . 16 1 1 A 85 85 THR HA H 85 4.440 4.969 -0.529 1
1 897 . 16 1 1 A 85 85 THR CA C 85 61.900 61.494 0.406 1
1 898 . 16 1 1 A 85 85 THR CB C 85 70.100 69.855 0.245 1
1 900 . 16 1 1 A 85 85 THR N N 85 125.500 124.264 1.236 1
1 901 . 16 1 1 A 86 86 VAL H H 86 8.280 9.036 -0.756 1
1 902 . 16 1 1 A 86 86 VAL HA H 86 5.010 5.027 -0.017 1
1 910 . 16 1 1 A 86 86 VAL CA C 86 59.300 61.121 -1.821 1
1 911 . 16 1 1 A 86 86 VAL CB C 86 33.700 34.546 -0.846 1
1 914 . 16 1 1 A 86 86 VAL N N 86 123.200 125.496 -2.296 1
1 915 . 16 1 1 A 87 87 GLU H H 87 8.560 8.904 -0.344 1
1 916 . 16 1 1 A 87 87 GLU HA H 87 4.720 5.018 -0.298 1
1 921 . 16 1 1 A 87 87 GLU CA C 87 52.400 53.498 -1.098 1
1 922 . 16 1 1 A 87 87 GLU CB C 87 33.600 30.558 3.042 1
1 924 . 16 1 1 A 87 87 GLU N N 87 124.400 126.546 -2.146 1
1 925 . 16 1 1 A 88 88 PRO HA H 88 4.770 4.907 -0.137 1
1 932 . 16 1 1 A 88 88 PRO CA C 88 62.800 61.832 0.968 1
1 933 . 16 1 1 A 88 88 PRO CB C 88 34.300 32.401 1.899 1
1 936 . 16 1 1 A 89 89 ARG H H 89 8.200 9.021 -0.821 1
1 937 . 16 1 1 A 89 89 ARG HA H 89 4.050 4.269 -0.219 1
1 945 . 16 1 1 A 89 89 ARG CA C 89 57.300 57.412 -0.112 1
1 946 . 16 1 1 A 89 89 ARG CB C 89 30.700 31.284 -0.584 1
1 949 . 16 1 1 A 89 89 ARG N N 89 114.400 120.117 -5.717 1
1 951 . 16 1 1 A 90 90 MET H H 90 7.750 7.736 0.014 1
1 952 . 16 1 1 A 90 90 MET HA H 90 5.060 4.807 0.253 1
1 960 . 16 1 1 A 90 90 MET CA C 90 53.700 54.182 -0.482 1
1 961 . 16 1 1 A 90 90 MET CB C 90 34.700 35.875 -1.175 1
1 964 . 16 1 1 A 90 90 MET N N 90 115.900 117.130 -1.230 1
1 965 . 16 1 1 A 91 91 ALA H H 91 9.020 9.502 -0.482 1
1 966 . 16 1 1 A 91 91 ALA HA H 91 4.640 5.313 -0.673 1
1 970 . 16 1 1 A 91 91 ALA CA C 91 49.300 50.126 -0.826 1
1 971 . 16 1 1 A 91 91 ALA CB C 91 23.600 22.842 0.758 1
1 972 . 16 1 1 A 91 91 ALA N N 91 123.200 129.265 -6.065 1
1 973 . 16 1 1 A 92 92 ARG H H 92 8.370 8.819 -0.449 1
1 974 . 16 1 1 A 92 92 ARG HA H 92 5.480 5.427 0.053 1
1 982 . 16 1 1 A 92 92 ARG CA C 92 54.000 54.833 -0.833 1
1 983 . 16 1 1 A 92 92 ARG CB C 92 32.600 32.672 -0.072 1
1 986 . 16 1 1 A 92 92 ARG N N 92 119.600 119.159 0.441 1
1 988 . 16 1 1 A 93 93 VAL H H 93 8.920 9.003 -0.083 1
1 989 . 16 1 1 A 93 93 VAL HA H 93 4.510 4.690 -0.180 1
1 997 . 16 1 1 A 93 93 VAL CA C 93 61.000 61.042 -0.042 1
1 998 . 16 1 1 A 93 93 VAL CB C 93 36.900 34.901 1.999 1
1 1001 . 16 1 1 A 93 93 VAL N N 93 124.100 123.365 0.735 1
1 1002 . 16 1 1 A 94 94 GLN H H 94 8.930 9.432 -0.502 1
1 1003 . 16 1 1 A 94 94 GLN HA H 94 5.400 4.860 0.540 1
1 1010 . 16 1 1 A 94 94 GLN CA C 94 53.500 54.628 -1.128 1
1 1011 . 16 1 1 A 94 94 GLN CB C 94 30.300 31.147 -0.847 1
1 1013 . 16 1 1 A 94 94 GLN N N 94 127.900 128.039 -0.139 1
1 1015 . 16 1 1 A 95 95 LEU H H 95 8.870 9.108 -0.238 1
1 1016 . 16 1 1 A 95 95 LEU HA H 95 5.390 5.217 0.173 1
1 1026 . 16 1 1 A 95 95 LEU CA C 95 53.000 53.286 -0.286 1
1 1027 . 16 1 1 A 95 95 LEU CB C 95 44.800 44.601 0.199 1
1 1031 . 16 1 1 A 95 95 LEU N N 95 126.400 128.536 -2.136 1
1 1032 . 16 1 1 A 96 96 GLU H H 96 9.300 8.835 0.465 1
1 1033 . 16 1 1 A 96 96 GLU HA H 96 5.000 5.001 -0.001 1
1 1038 . 16 1 1 A 96 96 GLU CA C 96 54.300 54.723 -0.423 1
1 1039 . 16 1 1 A 96 96 GLU CB C 96 33.800 33.463 0.337 1
1 1041 . 16 1 1 A 96 96 GLU N N 96 122.700 123.240 -0.540 1
1 1042 . 16 1 1 A 97 97 GLU H H 97 9.730 8.795 0.935 1
1 1043 . 16 1 1 A 97 97 GLU HA H 97 4.360 4.441 -0.081 1
1 1048 . 16 1 1 A 97 97 GLU CA C 97 57.600 56.215 1.385 1
1 1049 . 16 1 1 A 97 97 GLU CB C 97 30.000 29.601 0.399 1
1 1051 . 16 1 1 A 97 97 GLU N N 97 126.200 127.191 -0.991 1
1 1052 . 16 1 1 A 98 98 ARG H H 98 8.300 8.452 -0.152 1
1 1053 . 16 1 1 A 98 98 ARG HA H 98 4.180 4.075 0.105 1
1 1061 . 16 1 1 A 98 98 ARG CA C 98 56.800 56.857 -0.057 1
1 1062 . 16 1 1 A 98 98 ARG CB C 98 30.700 29.066 1.634 1
1 1065 . 16 1 1 A 98 98 ARG N N 98 126.500 126.521 -0.021 1
1 1067 . 16 1 1 A 99 99 GLN H H 99 8.810 9.035 -0.225 1
1 1068 . 16 1 1 A 99 99 GLN HA H 99 4.370 4.518 -0.148 1
1 1075 . 16 1 1 A 99 99 GLN CA C 99 55.600 57.157 -1.557 1
1 1076 . 16 1 1 A 99 99 GLN CB C 99 29.500 30.871 -1.371 1
1 1078 . 16 1 1 A 99 99 GLN N N 99 123.700 125.069 -1.369 1
1 1080 . 16 1 1 A 100 100 THR H H 100 8.340 7.350 0.990 1
1 1081 . 16 1 1 A 100 100 THR HA H 100 4.330 4.599 -0.269 1
1 1086 . 16 1 1 A 100 100 THR CA C 100 61.700 62.162 -0.462 1
1 1087 . 16 1 1 A 100 100 THR CB C 100 69.800 69.519 0.281 1
1 1089 . 16 1 1 A 100 100 THR N N 100 116.700 109.455 7.245 1
1 1090 . 16 1 1 A 101 101 VAL H H 101 8.290 8.721 -0.431 1
1 1091 . 16 1 1 A 101 101 VAL HA H 101 4.170 4.199 -0.029 1
1 1099 . 16 1 1 A 101 101 VAL CA C 101 61.900 62.328 -0.428 1
1 1100 . 16 1 1 A 101 101 VAL CB C 101 32.800 29.748 3.052 1
1 1103 . 16 1 1 A 101 101 VAL N N 101 122.900 128.333 -5.433 1
1 1104 . 16 1 1 A 102 102 SER H H 102 8.490 8.203 0.287 1
1 1105 . 16 1 1 A 102 102 SER HA H 102 4.470 4.697 -0.227 1
1 1108 . 16 1 1 A 102 102 SER CA C 102 58.000 57.748 0.252 1
1 1109 . 16 1 1 A 102 102 SER CB C 102 63.600 64.585 -0.985 1
1 1110 . 16 1 1 A 102 102 SER N N 102 120.700 117.998 2.702 1
1 1111 . 16 1 1 A 103 103 VAL H H 103 8.240 7.459 0.781 1
1 1112 . 16 1 1 A 103 103 VAL HA H 103 4.420 4.574 -0.154 1
1 1120 . 16 1 1 A 103 103 VAL CA C 103 59.700 58.520 1.180 1
1 1121 . 16 1 1 A 103 103 VAL CB C 103 32.700 34.066 -1.366 1
1 1124 . 16 1 1 A 103 103 VAL N N 103 123.900 122.377 1.523 1
1 1125 . 16 1 1 A 104 104 PRO HA H 104 4.420 4.536 -0.116 1
1 1132 . 16 1 1 A 104 104 PRO CA C 104 63.000 62.873 0.127 1
1 1133 . 16 1 1 A 104 104 PRO CB C 104 32.000 32.338 -0.338 1
1 1136 . 16 1 1 A 105 105 VAL H H 105 8.340 8.246 0.094 1
1 1137 . 16 1 1 A 105 105 VAL HA H 105 4.130 4.242 -0.112 1
1 1145 . 16 1 1 A 105 105 VAL CA C 105 62.200 61.639 0.561 1
1 1146 . 16 1 1 A 105 105 VAL CB C 105 32.600 32.738 -0.138 1
1 1149 . 16 1 1 A 105 105 VAL N N 105 121.000 117.326 3.674 1
1 1150 . 16 1 1 A 106 106 THR H H 106 8.210 8.759 -0.549 1
1 1151 . 16 1 1 A 106 106 THR HA H 106 4.380 4.960 -0.580 1
1 1156 . 16 1 1 A 106 106 THR CA C 106 61.400 60.277 1.123 1
1 1157 . 16 1 1 A 106 106 THR CB C 106 70.000 70.483 -0.483 1
1 1159 . 16 1 1 A 106 106 THR N N 106 118.700 120.985 -2.285 1
1 1160 . 16 1 1 A 107 107 VAL H H 107 8.280 9.217 -0.937 1
1 1161 . 16 1 1 A 107 107 VAL HA H 107 4.050 4.507 -0.457 1
1 1169 . 16 1 1 A 107 107 VAL CA C 107 62.600 61.366 1.234 1
1 1170 . 16 1 1 A 107 107 VAL CB C 107 32.600 31.683 0.917 1
1 1173 . 16 1 1 A 107 107 VAL N N 107 122.700 130.380 -7.680 1
1 1174 . 16 1 1 A 108 108 GLU H H 108 8.500 9.219 -0.719 1
1 1175 . 16 1 1 A 108 108 GLU HA H 108 4.230 4.792 -0.562 1
1 1180 . 16 1 1 A 108 108 GLU CA C 108 56.600 54.860 1.740 1
1 1181 . 16 1 1 A 108 108 GLU CB C 108 30.000 31.890 -1.890 1
1 1183 . 16 1 1 A 108 108 GLU N N 108 124.100 126.935 -2.835 1
1 1184 . 16 1 1 A 109 109 MET H H 109 8.570 8.936 -0.366 1
1 1185 . 16 1 1 A 109 109 MET HA H 109 4.460 4.677 -0.217 1
1 1188 . 16 1 1 A 109 109 MET CA C 109 55.300 54.620 0.680 1
1 1189 . 16 1 1 A 109 109 MET CB C 109 26.800 32.283 -5.483 1
1 1190 . 16 1 1 A 109 109 MET N N 109 121.300 124.174 -2.874 1
1 1191 . 16 1 1 A 110 110 ILE H H 110 8.280 7.767 0.513 1
1 1192 . 16 1 1 A 110 110 ILE HA H 110 4.080 4.318 -0.238 1
1 1202 . 16 1 1 A 110 110 ILE CA C 110 61.400 60.762 0.638 1
1 1203 . 16 1 1 A 110 110 ILE CB C 110 38.700 37.818 0.882 1
1 1207 . 16 1 1 A 110 110 ILE N N 110 122.600 123.240 -0.640 1
1 1208 . 16 1 1 A 111 111 ASN H H 111 8.590 8.948 -0.358 1
1 1209 . 16 1 1 A 111 111 ASN HA H 111 4.690 4.847 -0.157 1
1 1214 . 16 1 1 A 111 111 ASN CA C 111 53.000 52.586 0.414 1
1 1215 . 16 1 1 A 111 111 ASN CB C 111 38.600 37.825 0.775 1
1 1216 . 16 1 1 A 111 111 ASN N N 111 122.800 126.481 -3.681 1
1 1218 . 16 1 1 A 112 112 LEU H H 112 8.340 8.383 -0.043 1
1 1219 . 16 1 1 A 112 112 LEU HA H 112 4.240 4.767 -0.527 1
1 1229 . 16 1 1 A 112 112 LEU CA C 112 55.400 53.709 1.691 1
1 1230 . 16 1 1 A 112 112 LEU CB C 112 42.100 42.418 -0.318 1
1 1 . 17 1 1 A 3 3 THR HA H 3 4.250 4.500 -0.250 1
1 6 . 17 1 1 A 3 3 THR CA C 3 62.000 61.918 0.082 1
1 7 . 17 1 1 A 3 3 THR CB C 3 69.700 69.563 0.137 1
1 9 . 17 1 1 A 4 4 PHE H H 4 8.440 8.399 0.041 1
1 10 . 17 1 1 A 4 4 PHE HA H 4 4.650 4.790 -0.140 1
1 17 . 17 1 1 A 4 4 PHE CA C 4 57.700 56.212 1.488 1
1 18 . 17 1 1 A 4 4 PHE CB C 4 39.400 39.960 -0.560 1
1 21 . 17 1 1 A 4 4 PHE N N 4 122.400 121.760 0.640 1
1 22 . 17 1 1 A 5 5 ASP H H 5 8.500 8.799 -0.299 1
1 23 . 17 1 1 A 5 5 ASP HA H 5 4.600 4.914 -0.314 1
1 26 . 17 1 1 A 5 5 ASP CA C 5 53.900 52.075 1.825 1
1 27 . 17 1 1 A 5 5 ASP CB C 5 40.700 41.652 -0.952 1
1 28 . 17 1 1 A 5 5 ASP N N 5 121.800 123.819 -2.019 1
1 29 . 17 1 1 A 6 6 HIS H H 6 8.240 8.684 -0.444 1
1 30 . 17 1 1 A 6 6 HIS HA H 6 4.780 4.681 0.099 1
1 34 . 17 1 1 A 6 6 HIS CA C 6 55.300 56.015 -0.715 1
1 35 . 17 1 1 A 6 6 HIS CB C 6 31.500 28.363 3.137 1
1 37 . 17 1 1 A 6 6 HIS N N 6 120.400 124.976 -4.576 1
1 38 . 17 1 1 A 7 7 GLY H H 7 8.660 9.820 -1.160 1
1 39 . 17 1 1 A 7 7 GLY HA2 H 7 4.500 4.202 0.298 1
1 40 . 17 1 1 A 7 7 GLY HA3 H 7 3.580 4.242 -0.662 1
1 41 . 17 1 1 A 7 7 GLY CA C 7 44.200 44.094 0.106 1
1 42 . 17 1 1 A 7 7 GLY N N 7 109.200 105.946 3.254 1
1 43 . 17 1 1 A 8 8 ASN H H 8 8.040 8.630 -0.590 1
1 44 . 17 1 1 A 8 8 ASN HA H 8 5.500 5.708 -0.208 1
1 49 . 17 1 1 A 8 8 ASN CA C 8 52.600 51.867 0.733 1
1 50 . 17 1 1 A 8 8 ASN CB C 8 42.700 41.847 0.853 1
1 51 . 17 1 1 A 8 8 ASN N N 8 115.100 119.120 -4.020 1
1 53 . 17 1 1 A 9 9 LEU H H 9 8.850 8.877 -0.027 1
1 54 . 17 1 1 A 9 9 LEU HA H 9 4.530 4.728 -0.198 1
1 64 . 17 1 1 A 9 9 LEU CA C 9 54.700 54.454 0.246 1
1 65 . 17 1 1 A 9 9 LEU CB C 9 47.000 45.898 1.102 1
1 69 . 17 1 1 A 9 9 LEU N N 9 123.500 123.921 -0.421 1
1 70 . 17 1 1 A 10 10 SER H H 10 8.850 9.052 -0.202 1
1 71 . 17 1 1 A 10 10 SER HA H 10 5.030 4.704 0.326 1
1 74 . 17 1 1 A 10 10 SER CA C 10 57.000 58.492 -1.492 1
1 75 . 17 1 1 A 10 10 SER CB C 10 63.900 63.648 0.252 1
1 76 . 17 1 1 A 10 10 SER N N 10 121.800 124.050 -2.250 1
1 77 . 17 1 1 A 11 11 LEU H H 11 8.820 8.683 0.137 1
1 78 . 17 1 1 A 11 11 LEU HA H 11 4.460 4.318 0.142 1
1 88 . 17 1 1 A 11 11 LEU CA C 11 54.400 56.130 -1.730 1
1 89 . 17 1 1 A 11 11 LEU CB C 11 41.900 43.075 -1.175 1
1 93 . 17 1 1 A 11 11 LEU N N 11 127.300 127.267 0.033 1
1 94 . 17 1 1 A 12 12 GLY H H 12 8.140 7.430 0.710 1
1 95 . 17 1 1 A 12 12 GLY HA2 H 12 3.720 4.069 -0.349 1
1 96 . 17 1 1 A 12 12 GLY HA3 H 12 4.080 4.084 -0.004 1
1 97 . 17 1 1 A 12 12 GLY CA C 12 44.700 44.450 0.250 1
1 98 . 17 1 1 A 12 12 GLY N N 12 108.000 105.335 2.665 1
1 99 . 17 1 1 A 13 13 GLU H H 13 8.210 8.379 -0.169 1
1 100 . 17 1 1 A 13 13 GLU HA H 13 4.560 5.389 -0.829 1
1 105 . 17 1 1 A 13 13 GLU CA C 13 55.700 55.454 0.246 1
1 106 . 17 1 1 A 13 13 GLU CB C 13 30.300 30.597 -0.297 1
1 108 . 17 1 1 A 13 13 GLU N N 13 119.000 121.280 -2.280 1
1 109 . 17 1 1 A 14 14 LEU H H 14 9.360 9.011 0.349 1
1 110 . 17 1 1 A 14 14 LEU HA H 14 4.720 4.828 -0.108 1
1 120 . 17 1 1 A 14 14 LEU CA C 14 53.400 53.708 -0.308 1
1 121 . 17 1 1 A 14 14 LEU CB C 14 44.200 43.654 0.546 1
1 125 . 17 1 1 A 14 14 LEU N N 14 126.700 127.236 -0.536 1
1 126 . 17 1 1 A 15 15 GLU H H 15 8.680 8.454 0.226 1
1 127 . 17 1 1 A 15 15 GLU HA H 15 4.240 4.671 -0.431 1
1 132 . 17 1 1 A 15 15 GLU CA C 15 56.900 56.611 0.289 1
1 133 . 17 1 1 A 15 15 GLU CB C 15 29.900 30.471 -0.571 1
1 135 . 17 1 1 A 15 15 GLU N N 15 120.600 122.333 -1.733 1
1 136 . 17 1 1 A 16 16 LEU H H 16 7.740 8.244 -0.504 1
1 137 . 17 1 1 A 16 16 LEU HA H 16 4.360 4.890 -0.530 1
1 147 . 17 1 1 A 16 16 LEU CA C 16 54.000 54.175 -0.175 1
1 148 . 17 1 1 A 16 16 LEU CB C 16 43.300 43.385 -0.085 1
1 152 . 17 1 1 A 16 16 LEU N N 16 125.200 125.388 -0.188 1
1 153 . 17 1 1 A 17 17 THR H H 17 8.500 9.143 -0.643 1
1 154 . 17 1 1 A 17 17 THR HA H 17 4.420 4.785 -0.365 1
1 159 . 17 1 1 A 17 17 THR CA C 17 63.100 62.339 0.761 1
1 160 . 17 1 1 A 17 17 THR CB C 17 69.600 69.330 0.270 1
1 162 . 17 1 1 A 17 17 THR N N 17 127.300 124.371 2.929 1
1 163 . 17 1 1 A 18 18 VAL H H 18 8.840 9.276 -0.436 1
1 164 . 17 1 1 A 18 18 VAL HA H 18 4.490 4.785 -0.295 1
1 172 . 17 1 1 A 18 18 VAL CA C 18 61.100 61.284 -0.184 1
1 173 . 17 1 1 A 18 18 VAL CB C 18 33.300 33.142 0.158 1
1 176 . 17 1 1 A 18 18 VAL N N 18 127.000 128.038 -1.038 1
1 177 . 17 1 1 A 19 19 LEU H H 19 8.830 9.423 -0.593 1
1 178 . 17 1 1 A 19 19 LEU HA H 19 4.920 4.938 -0.018 1
1 188 . 17 1 1 A 19 19 LEU CA C 19 53.400 53.710 -0.310 1
1 189 . 17 1 1 A 19 19 LEU CB C 19 41.200 43.609 -2.409 1
1 193 . 17 1 1 A 19 19 LEU N N 19 128.500 130.219 -1.719 1
1 194 . 17 1 1 A 20 20 TYR H H 20 8.470 8.780 -0.310 1
1 195 . 17 1 1 A 20 20 TYR HA H 20 4.280 5.058 -0.778 1
1 202 . 17 1 1 A 20 20 TYR CA C 20 55.600 58.357 -2.757 1
1 203 . 17 1 1 A 20 20 TYR CB C 20 38.200 41.221 -3.021 1
1 206 . 17 1 1 A 20 20 TYR N N 20 120.300 126.008 -5.708 1
1 207 . 17 1 1 A 21 21 ASP H H 21 8.920 8.319 0.601 1
1 208 . 17 1 1 A 21 21 ASP HA H 21 4.640 4.728 -0.088 1
1 211 . 17 1 1 A 21 21 ASP CA C 21 53.000 53.452 -0.452 1
1 212 . 17 1 1 A 21 21 ASP CB C 21 39.300 41.913 -2.613 1
1 213 . 17 1 1 A 21 21 ASP N N 21 118.600 124.595 -5.995 1
1 214 . 17 1 1 A 22 22 GLU H H 22 7.930 8.681 -0.751 1
1 215 . 17 1 1 A 22 22 GLU HA H 22 4.250 4.047 0.203 1
1 220 . 17 1 1 A 22 22 GLU CA C 22 57.000 57.950 -0.950 1
1 221 . 17 1 1 A 22 22 GLU CB C 22 29.000 28.451 0.549 1
1 223 . 17 1 1 A 22 22 GLU N N 22 126.600 123.105 3.495 1
1 224 . 17 1 1 A 23 23 GLU H H 23 8.060 7.954 0.106 1
1 225 . 17 1 1 A 23 23 GLU HA H 23 4.130 4.164 -0.034 1
1 230 . 17 1 1 A 23 23 GLU CA C 23 57.800 58.066 -0.266 1
1 231 . 17 1 1 A 23 23 GLU CB C 23 29.500 29.230 0.270 1
1 233 . 17 1 1 A 23 23 GLU N N 23 117.800 118.785 -0.985 1
1 234 . 17 1 1 A 24 24 ARG H H 24 7.070 7.172 -0.102 1
1 235 . 17 1 1 A 24 24 ARG HA H 24 4.170 4.295 -0.125 1
1 243 . 17 1 1 A 24 24 ARG CA C 24 56.500 57.090 -0.590 1
1 244 . 17 1 1 A 24 24 ARG CB C 24 33.500 31.693 1.807 1
1 247 . 17 1 1 A 24 24 ARG N N 24 116.700 117.690 -0.990 1
1 249 . 17 1 1 A 25 25 TYR H H 25 8.150 8.074 0.076 1
1 250 . 17 1 1 A 25 25 TYR HA H 25 5.470 5.248 0.222 1
1 257 . 17 1 1 A 25 25 TYR CA C 25 56.900 56.989 -0.089 1
1 258 . 17 1 1 A 25 25 TYR CB C 25 43.100 41.621 1.479 1
1 261 . 17 1 1 A 25 25 TYR N N 25 116.800 116.272 0.528 1
1 262 . 17 1 1 A 26 26 ASP H H 26 9.120 8.840 0.280 1
1 263 . 17 1 1 A 26 26 ASP HA H 26 5.250 5.566 -0.316 1
1 266 . 17 1 1 A 26 26 ASP CA C 26 52.400 52.348 0.052 1
1 267 . 17 1 1 A 26 26 ASP CB C 26 44.500 44.105 0.395 1
1 268 . 17 1 1 A 26 26 ASP N N 26 116.900 119.099 -2.199 1
1 269 . 17 1 1 A 27 27 ILE H H 27 8.640 9.077 -0.437 1
1 270 . 17 1 1 A 27 27 ILE HA H 27 4.100 4.541 -0.441 1
1 280 . 17 1 1 A 27 27 ILE CA C 27 61.400 61.095 0.305 1
1 281 . 17 1 1 A 27 27 ILE CB C 27 38.600 37.236 1.364 1
1 285 . 17 1 1 A 27 27 ILE N N 27 121.200 122.902 -1.702 1
1 286 . 17 1 1 A 28 28 VAL H H 28 8.840 9.005 -0.165 1
1 287 . 17 1 1 A 28 28 VAL HA H 28 3.930 3.993 -0.063 1
1 295 . 17 1 1 A 28 28 VAL CA C 28 63.800 64.193 -0.393 1
1 296 . 17 1 1 A 28 28 VAL CB C 28 32.900 32.635 0.265 1
1 299 . 17 1 1 A 28 28 VAL N N 28 128.700 129.138 -0.438 1
1 300 . 17 1 1 A 29 29 GLU H H 29 7.180 7.798 -0.618 1
1 301 . 17 1 1 A 29 29 GLU HA H 29 4.490 4.827 -0.337 1
1 306 . 17 1 1 A 29 29 GLU CA C 29 55.200 54.904 0.296 1
1 307 . 17 1 1 A 29 29 GLU CB C 29 32.900 32.912 -0.012 1
1 309 . 17 1 1 A 29 29 GLU N N 29 116.000 115.607 0.393 1
1 310 . 17 1 1 A 30 30 GLN H H 30 8.760 8.871 -0.111 1
1 311 . 17 1 1 A 30 30 GLN HA H 30 5.450 5.561 -0.111 1
1 314 . 17 1 1 A 30 30 GLN CA C 30 54.200 54.492 -0.292 1
1 315 . 17 1 1 A 30 30 GLN CB C 30 33.100 32.464 0.636 1
1 316 . 17 1 1 A 30 30 GLN N N 30 117.200 118.635 -1.435 1
1 317 . 17 1 1 A 31 31 THR H H 31 8.200 8.430 -0.230 1
1 318 . 17 1 1 A 31 31 THR HA H 31 4.160 4.221 -0.061 1
1 323 . 17 1 1 A 31 31 THR CA C 31 64.500 63.709 0.791 1
1 324 . 17 1 1 A 31 31 THR CB C 31 70.300 68.219 2.081 1
1 326 . 17 1 1 A 31 31 THR N N 31 119.400 117.585 1.815 1
1 327 . 17 1 1 A 32 32 GLU H H 32 9.230 8.983 0.247 1
1 328 . 17 1 1 A 32 32 GLU HA H 32 4.170 4.185 -0.015 1
1 333 . 17 1 1 A 32 32 GLU CA C 32 60.000 59.111 0.889 1
1 334 . 17 1 1 A 32 32 GLU CB C 32 31.000 30.436 0.564 1
1 336 . 17 1 1 A 32 32 GLU N N 32 129.600 127.971 1.629 1
1 337 . 17 1 1 A 33 33 THR H H 33 7.510 8.010 -0.500 1
1 338 . 17 1 1 A 33 33 THR HA H 33 5.320 5.246 0.074 1
1 343 . 17 1 1 A 33 33 THR CA C 33 58.500 60.259 -1.759 1
1 344 . 17 1 1 A 33 33 THR CB C 33 73.100 71.936 1.164 1
1 346 . 17 1 1 A 33 33 THR N N 33 107.500 109.277 -1.777 1
1 347 . 17 1 1 A 34 34 VAL H H 34 8.700 9.018 -0.318 1
1 348 . 17 1 1 A 34 34 VAL HA H 34 4.670 5.027 -0.357 1
1 356 . 17 1 1 A 34 34 VAL CA C 34 59.200 58.616 0.584 1
1 357 . 17 1 1 A 34 34 VAL CB C 34 35.200 35.428 -0.228 1
1 360 . 17 1 1 A 34 34 VAL N N 34 112.000 118.224 -6.224 1
1 361 . 17 1 1 A 35 35 GLN H H 35 8.930 8.900 0.030 1
1 362 . 17 1 1 A 35 35 GLN HA H 35 4.790 5.498 -0.708 1
1 369 . 17 1 1 A 35 35 GLN CA C 35 54.800 54.429 0.371 1
1 370 . 17 1 1 A 35 35 GLN CB C 35 29.900 31.313 -1.413 1
1 372 . 17 1 1 A 35 35 GLN N N 35 123.200 122.192 1.008 1
1 374 . 17 1 1 A 36 36 VAL H H 36 7.940 8.436 -0.496 1
1 375 . 17 1 1 A 36 36 VAL HA H 36 4.850 5.025 -0.175 1
1 383 . 17 1 1 A 36 36 VAL CA C 36 61.300 59.559 1.741 1
1 384 . 17 1 1 A 36 36 VAL CB C 36 34.200 34.668 -0.468 1
1 387 . 17 1 1 A 36 36 VAL N N 36 124.300 126.732 -2.432 1
1 388 . 17 1 1 A 37 37 ASP H H 37 8.670 9.321 -0.651 1
1 389 . 17 1 1 A 37 37 ASP HA H 37 5.240 5.259 -0.019 1
1 392 . 17 1 1 A 37 37 ASP CA C 37 53.000 52.657 0.343 1
1 393 . 17 1 1 A 37 37 ASP CB C 37 44.700 44.670 0.030 1
1 394 . 17 1 1 A 37 37 ASP N N 37 126.900 127.871 -0.971 1
1 395 . 17 1 1 A 38 38 LEU H H 38 8.850 9.297 -0.447 1
1 396 . 17 1 1 A 38 38 LEU HA H 38 5.160 5.111 0.049 1
1 406 . 17 1 1 A 38 38 LEU CA C 38 52.400 53.081 -0.681 1
1 407 . 17 1 1 A 38 38 LEU CB C 38 46.100 45.032 1.068 1
1 411 . 17 1 1 A 38 38 LEU N N 38 119.100 125.889 -6.789 1
1 412 . 17 1 1 A 39 39 GLU H H 39 8.380 8.787 -0.407 1
1 413 . 17 1 1 A 39 39 GLU HA H 39 5.210 5.402 -0.192 1
1 418 . 17 1 1 A 39 39 GLU CA C 39 54.600 55.111 -0.511 1
1 419 . 17 1 1 A 39 39 GLU CB C 39 33.900 33.557 0.343 1
1 421 . 17 1 1 A 39 39 GLU N N 39 120.800 123.106 -2.306 1
1 422 . 17 1 1 A 40 40 GLY H H 40 8.110 8.394 -0.284 1
1 423 . 17 1 1 A 40 40 GLY HA2 H 40 4.230 4.099 0.131 1
1 424 . 17 1 1 A 40 40 GLY HA3 H 40 3.730 4.128 -0.398 1
1 425 . 17 1 1 A 40 40 GLY CA C 40 45.000 44.951 0.049 1
1 426 . 17 1 1 A 40 40 GLY N N 40 110.000 111.364 -1.364 1
1 427 . 17 1 1 A 41 41 PRO HA H 41 4.380 4.597 -0.217 1
1 434 . 17 1 1 A 41 41 PRO CA C 41 62.200 63.236 -1.036 1
1 435 . 17 1 1 A 41 41 PRO CB C 41 32.400 31.928 0.472 1
1 438 . 17 1 1 A 42 42 ARG H H 42 9.020 9.043 -0.023 1
1 439 . 17 1 1 A 42 42 ARG HA H 42 3.790 3.955 -0.165 1
1 446 . 17 1 1 A 42 42 ARG CA C 42 60.400 59.310 1.090 1
1 447 . 17 1 1 A 42 42 ARG CB C 42 29.900 29.636 0.264 1
1 450 . 17 1 1 A 42 42 ARG N N 42 125.500 125.159 0.341 1
1 451 . 17 1 1 A 43 43 GLY H H 43 9.310 8.421 0.889 1
1 452 . 17 1 1 A 43 43 GLY HA2 H 43 3.890 3.725 0.165 1
1 453 . 17 1 1 A 43 43 GLY HA3 H 43 3.890 3.760 0.130 1
1 454 . 17 1 1 A 43 43 GLY CA C 43 47.000 47.524 -0.524 1
1 455 . 17 1 1 A 43 43 GLY N N 43 107.200 106.807 0.393 1
1 456 . 17 1 1 A 44 44 VAL H H 44 6.930 8.237 -1.307 1
1 457 . 17 1 1 A 44 44 VAL HA H 44 3.800 3.793 0.007 1
1 465 . 17 1 1 A 44 44 VAL CA C 44 65.100 65.956 -0.856 1
1 466 . 17 1 1 A 44 44 VAL CB C 44 32.000 31.743 0.257 1
1 469 . 17 1 1 A 44 44 VAL N N 44 121.100 122.539 -1.439 1
1 470 . 17 1 1 A 45 45 LEU H H 45 7.830 7.968 -0.138 1
1 471 . 17 1 1 A 45 45 LEU HA H 45 3.890 4.067 -0.177 1
1 481 . 17 1 1 A 45 45 LEU CA C 45 58.100 57.929 0.171 1
1 482 . 17 1 1 A 45 45 LEU CB C 45 41.800 41.293 0.507 1
1 486 . 17 1 1 A 45 45 LEU N N 45 120.700 118.618 2.082 1
1 487 . 17 1 1 A 46 46 THR H H 46 8.340 8.292 0.048 1
1 488 . 17 1 1 A 46 46 THR HA H 46 3.850 3.973 -0.123 1
1 493 . 17 1 1 A 46 46 THR CA C 46 66.800 66.876 -0.076 1
1 494 . 17 1 1 A 46 46 THR CB C 46 68.800 67.836 0.964 1
1 496 . 17 1 1 A 46 46 THR N N 46 114.900 115.777 -0.877 1
1 497 . 17 1 1 A 47 47 VAL H H 47 7.210 7.740 -0.530 1
1 498 . 17 1 1 A 47 47 VAL HA H 47 3.820 3.884 -0.064 1
1 506 . 17 1 1 A 47 47 VAL CA C 47 65.600 66.522 -0.922 1
1 507 . 17 1 1 A 47 47 VAL CB C 47 31.900 31.959 -0.059 1
1 510 . 17 1 1 A 47 47 VAL N N 47 119.600 121.311 -1.711 1
1 511 . 17 1 1 A 48 48 PHE H H 48 8.140 8.836 -0.696 1
1 512 . 17 1 1 A 48 48 PHE HA H 48 4.210 4.130 0.080 1
1 520 . 17 1 1 A 48 48 PHE CA C 48 61.100 60.860 0.240 1
1 521 . 17 1 1 A 48 48 PHE CB C 48 39.200 39.221 -0.021 1
1 525 . 17 1 1 A 48 48 PHE N N 48 120.600 120.739 -0.139 1
1 526 . 17 1 1 A 49 49 ARG H H 49 8.150 8.312 -0.162 1
1 527 . 17 1 1 A 49 49 ARG HA H 49 3.710 4.050 -0.340 1
1 534 . 17 1 1 A 49 49 ARG CA C 49 58.500 59.347 -0.847 1
1 535 . 17 1 1 A 49 49 ARG CB C 49 30.000 29.427 0.573 1
1 538 . 17 1 1 A 49 49 ARG N N 49 117.500 118.571 -1.071 1
1 539 . 17 1 1 A 50 50 PHE H H 50 7.270 7.587 -0.317 1
1 540 . 17 1 1 A 50 50 PHE HA H 50 4.620 4.293 0.327 1
1 548 . 17 1 1 A 50 50 PHE CA C 50 57.700 60.195 -2.495 1
1 549 . 17 1 1 A 50 50 PHE CB C 50 39.600 39.673 -0.073 1
1 553 . 17 1 1 A 50 50 PHE N N 50 115.500 116.314 -0.814 1
1 554 . 17 1 1 A 51 51 ALA H H 51 7.620 7.343 0.277 1
1 555 . 17 1 1 A 51 51 ALA HA H 51 4.320 4.235 0.085 1
1 559 . 17 1 1 A 51 51 ALA CA C 51 51.700 52.076 -0.376 1
1 560 . 17 1 1 A 51 51 ALA CB C 51 19.300 19.500 -0.200 1
1 561 . 17 1 1 A 51 51 ALA N N 51 124.200 121.069 3.131 1
1 562 . 17 1 1 A 52 52 ARG H H 52 8.570 8.468 0.102 1
1 563 . 17 1 1 A 52 52 ARG HA H 52 4.270 4.405 -0.135 1
1 570 . 17 1 1 A 52 52 ARG CA C 52 54.700 54.630 0.070 1
1 571 . 17 1 1 A 52 52 ARG CB C 52 29.300 29.246 0.054 1
1 574 . 17 1 1 A 52 52 ARG N N 52 123.500 123.439 0.061 1
1 575 . 17 1 1 A 53 53 PRO HA H 53 4.240 3.171 1.069 1
1 582 . 17 1 1 A 53 53 PRO CA C 53 63.600 62.521 1.079 1
1 583 . 17 1 1 A 53 53 PRO CB C 53 31.600 31.429 0.171 1
1 586 . 17 1 1 A 54 54 SER H H 54 8.100 8.366 -0.266 1
1 587 . 17 1 1 A 54 54 SER HA H 54 4.390 4.697 -0.307 1
1 590 . 17 1 1 A 54 54 SER CA C 54 57.200 57.879 -0.679 1
1 591 . 17 1 1 A 54 54 SER CB C 54 63.100 64.771 -1.671 1
1 592 . 17 1 1 A 54 54 SER N N 54 117.200 115.971 1.229 1
1 593 . 17 1 1 A 55 55 TYR H H 55 6.640 6.880 -0.240 1
1 594 . 17 1 1 A 55 55 TYR HA H 55 5.030 5.463 -0.433 1
1 601 . 17 1 1 A 55 55 TYR CA C 55 53.900 56.157 -2.257 1
1 602 . 17 1 1 A 55 55 TYR CB C 55 39.200 40.643 -1.443 1
1 605 . 17 1 1 A 55 55 TYR N N 55 119.200 117.882 1.318 1
1 606 . 17 1 1 A 56 56 GLU H H 56 8.890 9.243 -0.353 1
1 607 . 17 1 1 A 56 56 GLU HA H 56 4.740 5.244 -0.504 1
1 612 . 17 1 1 A 56 56 GLU CA C 56 55.700 55.188 0.512 1
1 613 . 17 1 1 A 56 56 GLU CB C 56 35.000 33.535 1.465 1
1 615 . 17 1 1 A 56 56 GLU N N 56 118.800 124.993 -6.193 1
1 616 . 17 1 1 A 57 57 VAL H H 57 8.830 8.665 0.165 1
1 617 . 17 1 1 A 57 57 VAL HA H 57 5.370 4.842 0.528 1
1 625 . 17 1 1 A 57 57 VAL CA C 57 59.900 61.421 -1.521 1
1 626 . 17 1 1 A 57 57 VAL CB C 57 33.300 32.889 0.411 1
1 629 . 17 1 1 A 57 57 VAL N N 57 117.800 122.204 -4.404 1
1 630 . 17 1 1 A 58 58 PHE H H 58 8.870 8.434 0.436 1
1 631 . 17 1 1 A 58 58 PHE HA H 58 6.090 5.846 0.244 1
1 634 . 17 1 1 A 58 58 PHE CA C 58 55.600 55.635 -0.035 1
1 635 . 17 1 1 A 58 58 PHE CB C 58 42.700 43.021 -0.321 1
1 636 . 17 1 1 A 58 58 PHE N N 58 120.600 123.527 -2.927 1
1 637 . 17 1 1 A 59 59 VAL H H 59 8.270 9.181 -0.911 1
1 638 . 17 1 1 A 59 59 VAL HA H 59 4.730 4.953 -0.223 1
1 646 . 17 1 1 A 59 59 VAL CA C 59 58.500 60.776 -2.276 1
1 647 . 17 1 1 A 59 59 VAL CB C 59 34.800 34.556 0.244 1
1 650 . 17 1 1 A 59 59 VAL N N 59 108.700 121.098 -12.398 1
1 651 . 17 1 1 A 60 60 ASP H H 60 9.360 8.969 0.391 1
1 652 . 17 1 1 A 60 60 ASP HA H 60 5.080 5.601 -0.521 1
1 655 . 17 1 1 A 60 60 ASP CA C 60 52.700 52.590 0.110 1
1 656 . 17 1 1 A 60 60 ASP CB C 60 41.100 42.310 -1.210 1
1 657 . 17 1 1 A 60 60 ASP N N 60 123.000 126.566 -3.566 1
1 658 . 17 1 1 A 61 61 LEU H H 61 9.230 9.561 -0.331 1
1 659 . 17 1 1 A 61 61 LEU HA H 61 4.670 5.025 -0.355 1
1 669 . 17 1 1 A 61 61 LEU CA C 61 53.300 53.587 -0.287 1
1 670 . 17 1 1 A 61 61 LEU CB C 61 40.900 44.693 -3.793 1
1 674 . 17 1 1 A 61 61 LEU N N 61 128.600 125.869 2.731 1
1 675 . 17 1 1 A 62 62 THR H H 62 8.720 8.606 0.114 1
1 676 . 17 1 1 A 62 62 THR HA H 62 3.590 4.759 -1.169 1
1 681 . 17 1 1 A 62 62 THR CA C 62 67.000 62.365 4.635 1
1 682 . 17 1 1 A 62 62 THR CB C 62 69.100 70.424 -1.324 1
1 684 . 17 1 1 A 62 62 THR N N 62 115.800 114.838 0.962 1
1 685 . 17 1 1 A 63 63 GLU H H 63 8.490 8.062 0.428 1
1 686 . 17 1 1 A 63 63 GLU HA H 63 4.530 4.369 0.161 1
1 691 . 17 1 1 A 63 63 GLU CA C 63 55.100 58.168 -3.068 1
1 692 . 17 1 1 A 63 63 GLU CB C 63 29.200 30.641 -1.441 1
1 694 . 17 1 1 A 63 63 GLU N N 63 118.800 119.634 -0.834 1
1 695 . 17 1 1 A 64 64 ALA H H 64 7.100 7.533 -0.433 1
1 696 . 17 1 1 A 64 64 ALA HA H 64 4.130 4.355 -0.225 1
1 700 . 17 1 1 A 64 64 ALA CA C 64 51.500 51.489 0.011 1
1 701 . 17 1 1 A 64 64 ALA CB C 64 20.900 19.849 1.051 1
1 702 . 17 1 1 A 64 64 ALA N N 64 123.700 121.769 1.931 1
1 703 . 17 1 1 A 65 65 GLY H H 65 7.800 8.515 -0.715 1
1 704 . 17 1 1 A 65 65 GLY HA2 H 65 4.180 4.045 0.135 1
1 705 . 17 1 1 A 65 65 GLY HA3 H 65 3.540 4.202 -0.662 1
1 706 . 17 1 1 A 65 65 GLY CA C 65 42.600 45.723 -3.123 1
1 707 . 17 1 1 A 65 65 GLY N N 65 106.800 109.683 -2.883 1
1 708 . 17 1 1 A 66 66 GLU H H 66 8.490 7.835 0.655 1
1 709 . 17 1 1 A 66 66 GLU HA H 66 3.750 4.046 -0.296 1
1 714 . 17 1 1 A 66 66 GLU CA C 66 57.400 56.837 0.563 1
1 715 . 17 1 1 A 66 66 GLU CB C 66 30.300 29.619 0.681 1
1 717 . 17 1 1 A 66 66 GLU N N 66 119.900 119.712 0.188 1
1 718 . 17 1 1 A 67 67 GLY H H 67 8.470 8.569 -0.099 1
1 719 . 17 1 1 A 67 67 GLY HA2 H 67 3.770 3.754 0.016 1
1 720 . 17 1 1 A 67 67 GLY HA3 H 67 4.390 3.769 0.621 1
1 721 . 17 1 1 A 67 67 GLY CA C 67 43.400 46.716 -3.316 1
1 722 . 17 1 1 A 67 67 GLY N N 67 110.800 110.587 0.213 1
1 723 . 17 1 1 A 68 68 SER H H 68 8.250 8.205 0.045 1
1 724 . 17 1 1 A 68 68 SER HA H 68 4.610 5.235 -0.625 1
1 727 . 17 1 1 A 68 68 SER CA C 68 57.700 56.284 1.416 1
1 728 . 17 1 1 A 68 68 SER CB C 68 63.300 65.727 -2.427 1
1 729 . 17 1 1 A 68 68 SER N N 68 114.500 118.885 -4.385 1
1 730 . 17 1 1 A 69 69 HIS H H 69 8.780 8.902 -0.122 1
1 731 . 17 1 1 A 69 69 HIS HA H 69 4.790 5.091 -0.301 1
1 734 . 17 1 1 A 69 69 HIS CA C 69 55.300 54.760 0.540 1
1 735 . 17 1 1 A 69 69 HIS CB C 69 33.900 32.668 1.232 1
1 736 . 17 1 1 A 69 69 HIS N N 69 125.400 123.193 2.207 1
1 737 . 17 1 1 A 70 70 THR H H 70 8.870 8.943 -0.073 1
1 738 . 17 1 1 A 70 70 THR HA H 70 5.380 5.360 0.020 1
1 743 . 17 1 1 A 70 70 THR CA C 70 61.600 62.087 -0.487 1
1 744 . 17 1 1 A 70 70 THR CB C 70 69.400 69.877 -0.477 1
1 746 . 17 1 1 A 70 70 THR N N 70 121.200 118.447 2.753 1
1 747 . 17 1 1 A 71 71 VAL H H 71 8.860 8.871 -0.011 1
1 748 . 17 1 1 A 71 71 VAL HA H 71 4.730 4.977 -0.247 1
1 756 . 17 1 1 A 71 71 VAL CA C 71 58.900 58.840 0.060 1
1 757 . 17 1 1 A 71 71 VAL CB C 71 36.000 35.357 0.643 1
1 760 . 17 1 1 A 71 71 VAL N N 71 122.100 119.918 2.182 1
1 761 . 17 1 1 A 72 72 ASP H H 72 8.610 8.510 0.100 1
1 762 . 17 1 1 A 72 72 ASP HA H 72 4.660 4.768 -0.108 1
1 765 . 17 1 1 A 72 72 ASP CA C 72 55.500 54.110 1.390 1
1 766 . 17 1 1 A 72 72 ASP CB C 72 40.800 41.082 -0.282 1
1 767 . 17 1 1 A 72 72 ASP N N 72 124.300 121.773 2.527 1
1 768 . 17 1 1 A 73 73 VAL H H 73 8.090 8.354 -0.264 1
1 769 . 17 1 1 A 73 73 VAL HA H 73 3.770 4.449 -0.679 1
1 777 . 17 1 1 A 73 73 VAL CA C 73 63.600 61.297 2.303 1
1 778 . 17 1 1 A 73 73 VAL CB C 73 31.600 33.741 -2.141 1
1 781 . 17 1 1 A 73 73 VAL N N 73 121.400 123.461 -2.061 1
1 782 . 17 1 1 A 74 74 GLU H H 74 8.900 8.364 0.536 1
1 783 . 17 1 1 A 74 74 GLU HA H 74 4.370 4.469 -0.099 1
1 788 . 17 1 1 A 74 74 GLU CA C 74 54.700 55.602 -0.902 1
1 789 . 17 1 1 A 74 74 GLU CB C 74 33.300 31.038 2.262 1
1 791 . 17 1 1 A 74 74 GLU N N 74 129.600 126.864 2.736 1
1 792 . 17 1 1 A 75 75 HIS H H 75 7.940 8.292 -0.352 1
1 793 . 17 1 1 A 75 75 HIS HA H 75 5.830 5.449 0.381 1
1 796 . 17 1 1 A 75 75 HIS CA C 75 54.100 53.346 0.754 1
1 797 . 17 1 1 A 75 75 HIS CB C 75 39.500 33.499 6.001 1
1 798 . 17 1 1 A 75 75 HIS N N 75 112.800 117.599 -4.799 1
1 799 . 17 1 1 A 76 76 ARG H H 76 9.210 8.701 0.509 1
1 800 . 17 1 1 A 76 76 ARG HA H 76 5.170 4.808 0.362 1
1 805 . 17 1 1 A 76 76 ARG CA C 76 55.300 55.422 -0.122 1
1 806 . 17 1 1 A 76 76 ARG CB C 76 33.400 34.278 -0.878 1
1 808 . 17 1 1 A 76 76 ARG N N 76 117.100 121.365 -4.265 1
1 809 . 17 1 1 A 77 77 GLY H H 77 8.740 8.178 0.562 1
1 810 . 17 1 1 A 77 77 GLY HA2 H 77 4.410 4.176 0.234 1
1 811 . 17 1 1 A 77 77 GLY HA3 H 77 3.670 4.284 -0.614 1
1 812 . 17 1 1 A 77 77 GLY CA C 77 45.400 45.770 -0.370 1
1 813 . 17 1 1 A 77 77 GLY N N 77 107.400 112.728 -5.328 1
1 814 . 17 1 1 A 78 78 PHE H H 78 7.920 7.909 0.011 1
1 815 . 17 1 1 A 78 78 PHE HA H 78 4.450 4.715 -0.265 1
1 823 . 17 1 1 A 78 78 PHE CA C 78 54.200 55.557 -1.357 1
1 824 . 17 1 1 A 78 78 PHE CB C 78 41.000 39.334 1.666 1
1 828 . 17 1 1 A 78 78 PHE N N 78 120.200 119.732 0.468 1
1 829 . 17 1 1 A 79 79 PRO HA H 79 4.470 4.761 -0.291 1
1 836 . 17 1 1 A 79 79 PRO CA C 79 63.300 62.244 1.056 1
1 837 . 17 1 1 A 79 79 PRO CB C 79 32.200 32.741 -0.541 1
1 840 . 17 1 1 A 80 80 GLY H H 80 8.820 8.684 0.136 1
1 841 . 17 1 1 A 80 80 GLY HA2 H 80 4.020 3.985 0.035 1
1 842 . 17 1 1 A 80 80 GLY HA3 H 80 3.890 4.021 -0.131 1
1 843 . 17 1 1 A 80 80 GLY CA C 80 46.600 45.609 0.991 1
1 844 . 17 1 1 A 80 80 GLY N N 80 110.100 108.411 1.689 1
1 845 . 17 1 1 A 81 81 ASP H H 81 8.360 7.977 0.383 1
1 846 . 17 1 1 A 81 81 ASP HA H 81 4.560 4.399 0.161 1
1 849 . 17 1 1 A 81 81 ASP CA C 81 53.800 56.735 -2.935 1
1 850 . 17 1 1 A 81 81 ASP CB C 81 40.300 41.343 -1.043 1
1 851 . 17 1 1 A 81 81 ASP N N 81 114.800 119.744 -4.944 1
1 852 . 17 1 1 A 82 82 LEU H H 82 7.400 7.532 -0.132 1
1 853 . 17 1 1 A 82 82 LEU HA H 82 4.720 4.289 0.431 1
1 863 . 17 1 1 A 82 82 LEU CA C 82 52.800 54.418 -1.618 1
1 864 . 17 1 1 A 82 82 LEU CB C 82 42.900 42.367 0.533 1
1 868 . 17 1 1 A 82 82 LEU N N 82 115.500 119.893 -4.393 1
1 869 . 17 1 1 A 83 83 ALA H H 83 8.930 9.031 -0.101 1
1 870 . 17 1 1 A 83 83 ALA HA H 83 4.530 4.599 -0.069 1
1 874 . 17 1 1 A 83 83 ALA CA C 83 50.900 51.395 -0.495 1
1 875 . 17 1 1 A 83 83 ALA CB C 83 19.600 19.249 0.351 1
1 876 . 17 1 1 A 83 83 ALA N N 83 124.900 125.149 -0.249 1
1 877 . 17 1 1 A 84 84 VAL H H 84 8.570 9.039 -0.469 1
1 878 . 17 1 1 A 84 84 VAL HA H 84 3.930 4.616 -0.686 1
1 886 . 17 1 1 A 84 84 VAL CA C 84 61.300 61.492 -0.192 1
1 887 . 17 1 1 A 84 84 VAL CB C 84 32.800 32.678 0.122 1
1 890 . 17 1 1 A 84 84 VAL N N 84 126.800 123.904 2.896 1
1 891 . 17 1 1 A 85 85 THR H H 85 9.000 9.243 -0.243 1
1 892 . 17 1 1 A 85 85 THR HA H 85 4.440 5.068 -0.628 1
1 897 . 17 1 1 A 85 85 THR CA C 85 61.900 61.492 0.408 1
1 898 . 17 1 1 A 85 85 THR CB C 85 70.100 70.692 -0.592 1
1 900 . 17 1 1 A 85 85 THR N N 85 125.500 124.122 1.378 1
1 901 . 17 1 1 A 86 86 VAL H H 86 8.280 9.047 -0.767 1
1 902 . 17 1 1 A 86 86 VAL HA H 86 5.010 4.932 0.078 1
1 910 . 17 1 1 A 86 86 VAL CA C 86 59.300 59.998 -0.698 1
1 911 . 17 1 1 A 86 86 VAL CB C 86 33.700 35.723 -2.023 1
1 914 . 17 1 1 A 86 86 VAL N N 86 123.200 124.997 -1.797 1
1 915 . 17 1 1 A 87 87 GLU H H 87 8.560 8.968 -0.408 1
1 916 . 17 1 1 A 87 87 GLU HA H 87 4.720 4.810 -0.090 1
1 921 . 17 1 1 A 87 87 GLU CA C 87 52.400 53.339 -0.939 1
1 922 . 17 1 1 A 87 87 GLU CB C 87 33.600 30.404 3.196 1
1 924 . 17 1 1 A 87 87 GLU N N 87 124.400 125.326 -0.926 1
1 925 . 17 1 1 A 88 88 PRO HA H 88 4.770 4.443 0.327 1
1 932 . 17 1 1 A 88 88 PRO CA C 88 62.800 63.498 -0.698 1
1 933 . 17 1 1 A 88 88 PRO CB C 88 34.300 32.265 2.035 1
1 936 . 17 1 1 A 89 89 ARG H H 89 8.200 8.912 -0.712 1
1 937 . 17 1 1 A 89 89 ARG HA H 89 4.050 4.322 -0.272 1
1 945 . 17 1 1 A 89 89 ARG CA C 89 57.300 57.062 0.238 1
1 946 . 17 1 1 A 89 89 ARG CB C 89 30.700 30.823 -0.123 1
1 949 . 17 1 1 A 89 89 ARG N N 89 114.400 120.001 -5.601 1
1 951 . 17 1 1 A 90 90 MET H H 90 7.750 7.592 0.158 1
1 952 . 17 1 1 A 90 90 MET HA H 90 5.060 5.309 -0.249 1
1 960 . 17 1 1 A 90 90 MET CA C 90 53.700 53.995 -0.295 1
1 961 . 17 1 1 A 90 90 MET CB C 90 34.700 33.700 1.000 1
1 964 . 17 1 1 A 90 90 MET N N 90 115.900 118.802 -2.902 1
1 965 . 17 1 1 A 91 91 ALA H H 91 9.020 9.352 -0.332 1
1 966 . 17 1 1 A 91 91 ALA HA H 91 4.640 5.252 -0.612 1
1 970 . 17 1 1 A 91 91 ALA CA C 91 49.300 50.081 -0.781 1
1 971 . 17 1 1 A 91 91 ALA CB C 91 23.600 22.578 1.022 1
1 972 . 17 1 1 A 91 91 ALA N N 91 123.200 125.771 -2.571 1
1 973 . 17 1 1 A 92 92 ARG H H 92 8.370 8.883 -0.513 1
1 974 . 17 1 1 A 92 92 ARG HA H 92 5.480 5.288 0.192 1
1 982 . 17 1 1 A 92 92 ARG CA C 92 54.000 54.755 -0.755 1
1 983 . 17 1 1 A 92 92 ARG CB C 92 32.600 32.949 -0.349 1
1 986 . 17 1 1 A 92 92 ARG N N 92 119.600 122.352 -2.752 1
1 988 . 17 1 1 A 93 93 VAL H H 93 8.920 9.350 -0.430 1
1 989 . 17 1 1 A 93 93 VAL HA H 93 4.510 4.717 -0.207 1
1 997 . 17 1 1 A 93 93 VAL CA C 93 61.000 61.051 -0.051 1
1 998 . 17 1 1 A 93 93 VAL CB C 93 36.900 34.502 2.398 1
1 1001 . 17 1 1 A 93 93 VAL N N 93 124.100 126.171 -2.071 1
1 1002 . 17 1 1 A 94 94 GLN H H 94 8.930 9.338 -0.408 1
1 1003 . 17 1 1 A 94 94 GLN HA H 94 5.400 4.927 0.473 1
1 1010 . 17 1 1 A 94 94 GLN CA C 94 53.500 54.545 -1.045 1
1 1011 . 17 1 1 A 94 94 GLN CB C 94 30.300 31.730 -1.430 1
1 1013 . 17 1 1 A 94 94 GLN N N 94 127.900 128.634 -0.734 1
1 1015 . 17 1 1 A 95 95 LEU H H 95 8.870 8.798 0.072 1
1 1016 . 17 1 1 A 95 95 LEU HA H 95 5.390 5.344 0.046 1
1 1026 . 17 1 1 A 95 95 LEU CA C 95 53.000 53.483 -0.483 1
1 1027 . 17 1 1 A 95 95 LEU CB C 95 44.800 44.356 0.444 1
1 1031 . 17 1 1 A 95 95 LEU N N 95 126.400 127.761 -1.361 1
1 1032 . 17 1 1 A 96 96 GLU H H 96 9.300 8.765 0.535 1
1 1033 . 17 1 1 A 96 96 GLU HA H 96 5.000 4.637 0.363 1
1 1038 . 17 1 1 A 96 96 GLU CA C 96 54.300 54.390 -0.090 1
1 1039 . 17 1 1 A 96 96 GLU CB C 96 33.800 33.416 0.384 1
1 1041 . 17 1 1 A 96 96 GLU N N 96 122.700 121.701 0.999 1
1 1042 . 17 1 1 A 97 97 GLU H H 97 9.730 8.419 1.311 1
1 1043 . 17 1 1 A 97 97 GLU HA H 97 4.360 4.527 -0.167 1
1 1048 . 17 1 1 A 97 97 GLU CA C 97 57.600 56.996 0.604 1
1 1049 . 17 1 1 A 97 97 GLU CB C 97 30.000 29.985 0.015 1
1 1051 . 17 1 1 A 97 97 GLU N N 97 126.200 121.362 4.838 1
1 1052 . 17 1 1 A 98 98 ARG H H 98 8.300 8.549 -0.249 1
1 1053 . 17 1 1 A 98 98 ARG HA H 98 4.180 4.465 -0.285 1
1 1061 . 17 1 1 A 98 98 ARG CA C 98 56.800 56.537 0.263 1
1 1062 . 17 1 1 A 98 98 ARG CB C 98 30.700 31.686 -0.986 1
1 1065 . 17 1 1 A 98 98 ARG N N 98 126.500 125.502 0.998 1
1 1067 . 17 1 1 A 99 99 GLN H H 99 8.810 8.759 0.051 1
1 1068 . 17 1 1 A 99 99 GLN HA H 99 4.370 4.282 0.088 1
1 1075 . 17 1 1 A 99 99 GLN CA C 99 55.600 58.838 -3.238 1
1 1076 . 17 1 1 A 99 99 GLN CB C 99 29.500 29.407 0.093 1
1 1078 . 17 1 1 A 99 99 GLN N N 99 123.700 124.394 -0.694 1
1 1080 . 17 1 1 A 100 100 THR H H 100 8.340 7.978 0.362 1
1 1081 . 17 1 1 A 100 100 THR HA H 100 4.330 4.454 -0.124 1
1 1086 . 17 1 1 A 100 100 THR CA C 100 61.700 61.224 0.476 1
1 1087 . 17 1 1 A 100 100 THR CB C 100 69.800 68.023 1.777 1
1 1089 . 17 1 1 A 100 100 THR N N 100 116.700 110.352 6.348 1
1 1090 . 17 1 1 A 101 101 VAL H H 101 8.290 8.528 -0.238 1
1 1091 . 17 1 1 A 101 101 VAL HA H 101 4.170 3.872 0.298 1
1 1099 . 17 1 1 A 101 101 VAL CA C 101 61.900 64.877 -2.977 1
1 1100 . 17 1 1 A 101 101 VAL CB C 101 32.800 32.311 0.489 1
1 1103 . 17 1 1 A 101 101 VAL N N 101 122.900 127.736 -4.836 1
1 1104 . 17 1 1 A 102 102 SER H H 102 8.490 7.578 0.912 1
1 1105 . 17 1 1 A 102 102 SER HA H 102 4.470 4.628 -0.158 1
1 1108 . 17 1 1 A 102 102 SER CA C 102 58.000 57.034 0.966 1
1 1109 . 17 1 1 A 102 102 SER CB C 102 63.600 65.042 -1.442 1
1 1110 . 17 1 1 A 102 102 SER N N 102 120.700 111.210 9.490 1
1 1111 . 17 1 1 A 103 103 VAL H H 103 8.240 8.654 -0.414 1
1 1112 . 17 1 1 A 103 103 VAL HA H 103 4.420 4.580 -0.160 1
1 1120 . 17 1 1 A 103 103 VAL CA C 103 59.700 59.345 0.355 1
1 1121 . 17 1 1 A 103 103 VAL CB C 103 32.700 32.641 0.059 1
1 1124 . 17 1 1 A 103 103 VAL N N 103 123.900 122.177 1.723 1
1 1125 . 17 1 1 A 104 104 PRO HA H 104 4.420 4.645 -0.225 1
1 1132 . 17 1 1 A 104 104 PRO CA C 104 63.000 62.346 0.654 1
1 1133 . 17 1 1 A 104 104 PRO CB C 104 32.000 32.900 -0.900 1
1 1136 . 17 1 1 A 105 105 VAL H H 105 8.340 8.583 -0.243 1
1 1137 . 17 1 1 A 105 105 VAL HA H 105 4.130 3.737 0.393 1
1 1145 . 17 1 1 A 105 105 VAL CA C 105 62.200 62.615 -0.415 1
1 1146 . 17 1 1 A 105 105 VAL CB C 105 32.600 30.098 2.502 1
1 1149 . 17 1 1 A 105 105 VAL N N 105 121.000 115.936 5.064 1
1 1150 . 17 1 1 A 106 106 THR H H 106 8.210 7.903 0.307 1
1 1151 . 17 1 1 A 106 106 THR HA H 106 4.380 4.080 0.300 1
1 1156 . 17 1 1 A 106 106 THR CA C 106 61.400 64.828 -3.428 1
1 1157 . 17 1 1 A 106 106 THR CB C 106 70.000 69.123 0.877 1
1 1159 . 17 1 1 A 106 106 THR N N 106 118.700 117.282 1.418 1
1 1160 . 17 1 1 A 107 107 VAL H H 107 8.280 7.444 0.836 1
1 1161 . 17 1 1 A 107 107 VAL HA H 107 4.050 4.373 -0.323 1
1 1169 . 17 1 1 A 107 107 VAL CA C 107 62.600 60.481 2.119 1
1 1170 . 17 1 1 A 107 107 VAL CB C 107 32.600 34.299 -1.699 1
1 1173 . 17 1 1 A 107 107 VAL N N 107 122.700 117.035 5.665 1
1 1174 . 17 1 1 A 108 108 GLU H H 108 8.500 8.891 -0.391 1
1 1175 . 17 1 1 A 108 108 GLU HA H 108 4.230 4.980 -0.750 1
1 1180 . 17 1 1 A 108 108 GLU CA C 108 56.600 55.956 0.644 1
1 1181 . 17 1 1 A 108 108 GLU CB C 108 30.000 30.156 -0.156 1
1 1183 . 17 1 1 A 108 108 GLU N N 108 124.100 126.252 -2.152 1
1 1184 . 17 1 1 A 109 109 MET H H 109 8.570 8.474 0.096 1
1 1185 . 17 1 1 A 109 109 MET HA H 109 4.460 4.612 -0.152 1
1 1188 . 17 1 1 A 109 109 MET CA C 109 55.300 56.819 -1.519 1
1 1189 . 17 1 1 A 109 109 MET CB C 109 26.800 33.779 -6.979 1
1 1190 . 17 1 1 A 109 109 MET N N 109 121.300 121.504 -0.204 1
1 1191 . 17 1 1 A 110 110 ILE H H 110 8.280 7.986 0.294 1
1 1192 . 17 1 1 A 110 110 ILE HA H 110 4.080 4.265 -0.185 1
1 1202 . 17 1 1 A 110 110 ILE CA C 110 61.400 62.239 -0.839 1
1 1203 . 17 1 1 A 110 110 ILE CB C 110 38.700 38.489 0.211 1
1 1207 . 17 1 1 A 110 110 ILE N N 110 122.600 115.818 6.782 1
1 1208 . 17 1 1 A 111 111 ASN H H 111 8.590 7.858 0.732 1
1 1209 . 17 1 1 A 111 111 ASN HA H 111 4.690 5.133 -0.443 1
1 1214 . 17 1 1 A 111 111 ASN CA C 111 53.000 51.631 1.369 1
1 1215 . 17 1 1 A 111 111 ASN CB C 111 38.600 40.861 -2.261 1
1 1216 . 17 1 1 A 111 111 ASN N N 111 122.800 119.301 3.499 1
1 1218 . 17 1 1 A 112 112 LEU H H 112 8.340 8.737 -0.397 1
1 1219 . 17 1 1 A 112 112 LEU HA H 112 4.240 4.792 -0.552 1
1 1229 . 17 1 1 A 112 112 LEU CA C 112 55.400 53.725 1.675 1
1 1230 . 17 1 1 A 112 112 LEU CB C 112 42.100 43.788 -1.688 1
1 1 . 18 1 1 A 3 3 THR HA H 3 4.250 4.113 0.137 1
1 6 . 18 1 1 A 3 3 THR CA C 3 62.000 62.868 -0.868 1
1 7 . 18 1 1 A 3 3 THR CB C 3 69.700 66.413 3.287 1
1 9 . 18 1 1 A 4 4 PHE H H 4 8.440 8.441 -0.001 1
1 10 . 18 1 1 A 4 4 PHE HA H 4 4.650 4.979 -0.329 1
1 17 . 18 1 1 A 4 4 PHE CA C 4 57.700 57.246 0.454 1
1 18 . 18 1 1 A 4 4 PHE CB C 4 39.400 42.918 -3.518 1
1 21 . 18 1 1 A 4 4 PHE N N 4 122.400 126.598 -4.198 1
1 22 . 18 1 1 A 5 5 ASP H H 5 8.500 8.250 0.250 1
1 23 . 18 1 1 A 5 5 ASP HA H 5 4.600 3.855 0.745 1
1 26 . 18 1 1 A 5 5 ASP CA C 5 53.900 54.627 -0.727 1
1 27 . 18 1 1 A 5 5 ASP CB C 5 40.700 39.152 1.548 1
1 28 . 18 1 1 A 5 5 ASP N N 5 121.800 125.329 -3.529 1
1 29 . 18 1 1 A 6 6 HIS H H 6 8.240 7.789 0.451 1
1 30 . 18 1 1 A 6 6 HIS HA H 6 4.780 4.869 -0.089 1
1 34 . 18 1 1 A 6 6 HIS CA C 6 55.300 55.530 -0.230 1
1 35 . 18 1 1 A 6 6 HIS CB C 6 31.500 32.426 -0.926 1
1 37 . 18 1 1 A 6 6 HIS N N 6 120.400 121.735 -1.335 1
1 38 . 18 1 1 A 7 7 GLY H H 7 8.660 9.019 -0.359 1
1 39 . 18 1 1 A 7 7 GLY HA2 H 7 4.500 4.138 0.362 1
1 40 . 18 1 1 A 7 7 GLY HA3 H 7 3.580 4.166 -0.586 1
1 41 . 18 1 1 A 7 7 GLY CA C 7 44.200 44.903 -0.703 1
1 42 . 18 1 1 A 7 7 GLY N N 7 109.200 112.522 -3.322 1
1 43 . 18 1 1 A 8 8 ASN H H 8 8.040 8.707 -0.667 1
1 44 . 18 1 1 A 8 8 ASN HA H 8 5.500 5.887 -0.387 1
1 49 . 18 1 1 A 8 8 ASN CA C 8 52.600 51.641 0.959 1
1 50 . 18 1 1 A 8 8 ASN CB C 8 42.700 41.987 0.713 1
1 51 . 18 1 1 A 8 8 ASN N N 8 115.100 118.376 -3.276 1
1 53 . 18 1 1 A 9 9 LEU H H 9 8.850 9.003 -0.153 1
1 54 . 18 1 1 A 9 9 LEU HA H 9 4.530 4.776 -0.246 1
1 64 . 18 1 1 A 9 9 LEU CA C 9 54.700 54.332 0.368 1
1 65 . 18 1 1 A 9 9 LEU CB C 9 47.000 45.828 1.172 1
1 69 . 18 1 1 A 9 9 LEU N N 9 123.500 123.755 -0.255 1
1 70 . 18 1 1 A 10 10 SER H H 10 8.850 8.912 -0.062 1
1 71 . 18 1 1 A 10 10 SER HA H 10 5.030 4.845 0.185 1
1 74 . 18 1 1 A 10 10 SER CA C 10 57.000 57.645 -0.645 1
1 75 . 18 1 1 A 10 10 SER CB C 10 63.900 64.581 -0.681 1
1 76 . 18 1 1 A 10 10 SER N N 10 121.800 124.041 -2.241 1
1 77 . 18 1 1 A 11 11 LEU H H 11 8.820 9.203 -0.383 1
1 78 . 18 1 1 A 11 11 LEU HA H 11 4.460 4.413 0.047 1
1 88 . 18 1 1 A 11 11 LEU CA C 11 54.400 55.338 -0.938 1
1 89 . 18 1 1 A 11 11 LEU CB C 11 41.900 43.194 -1.294 1
1 93 . 18 1 1 A 11 11 LEU N N 11 127.300 126.643 0.657 1
1 94 . 18 1 1 A 12 12 GLY H H 12 8.140 7.846 0.294 1
1 95 . 18 1 1 A 12 12 GLY HA2 H 12 3.720 4.127 -0.407 1
1 96 . 18 1 1 A 12 12 GLY HA3 H 12 4.080 4.141 -0.061 1
1 97 . 18 1 1 A 12 12 GLY CA C 12 44.700 44.708 -0.008 1
1 98 . 18 1 1 A 12 12 GLY N N 12 108.000 106.357 1.643 1
1 99 . 18 1 1 A 13 13 GLU H H 13 8.210 8.379 -0.169 1
1 100 . 18 1 1 A 13 13 GLU HA H 13 4.560 4.768 -0.208 1
1 105 . 18 1 1 A 13 13 GLU CA C 13 55.700 56.354 -0.654 1
1 106 . 18 1 1 A 13 13 GLU CB C 13 30.300 30.022 0.278 1
1 108 . 18 1 1 A 13 13 GLU N N 13 119.000 121.397 -2.397 1
1 109 . 18 1 1 A 14 14 LEU H H 14 9.360 9.621 -0.261 1
1 110 . 18 1 1 A 14 14 LEU HA H 14 4.720 5.026 -0.306 1
1 120 . 18 1 1 A 14 14 LEU CA C 14 53.400 53.587 -0.187 1
1 121 . 18 1 1 A 14 14 LEU CB C 14 44.200 43.854 0.346 1
1 125 . 18 1 1 A 14 14 LEU N N 14 126.700 127.714 -1.014 1
1 126 . 18 1 1 A 15 15 GLU H H 15 8.680 8.588 0.092 1
1 127 . 18 1 1 A 15 15 GLU HA H 15 4.240 4.665 -0.425 1
1 132 . 18 1 1 A 15 15 GLU CA C 15 56.900 56.413 0.487 1
1 133 . 18 1 1 A 15 15 GLU CB C 15 29.900 30.438 -0.538 1
1 135 . 18 1 1 A 15 15 GLU N N 15 120.600 124.251 -3.651 1
1 136 . 18 1 1 A 16 16 LEU H H 16 7.740 8.226 -0.486 1
1 137 . 18 1 1 A 16 16 LEU HA H 16 4.360 4.776 -0.416 1
1 147 . 18 1 1 A 16 16 LEU CA C 16 54.000 54.520 -0.520 1
1 148 . 18 1 1 A 16 16 LEU CB C 16 43.300 43.797 -0.497 1
1 152 . 18 1 1 A 16 16 LEU N N 16 125.200 128.132 -2.932 1
1 153 . 18 1 1 A 17 17 THR H H 17 8.500 9.255 -0.755 1
1 154 . 18 1 1 A 17 17 THR HA H 17 4.420 4.843 -0.423 1
1 159 . 18 1 1 A 17 17 THR CA C 17 63.100 62.225 0.875 1
1 160 . 18 1 1 A 17 17 THR CB C 17 69.600 70.033 -0.433 1
1 162 . 18 1 1 A 17 17 THR N N 17 127.300 123.797 3.503 1
1 163 . 18 1 1 A 18 18 VAL H H 18 8.840 9.194 -0.354 1
1 164 . 18 1 1 A 18 18 VAL HA H 18 4.490 4.832 -0.342 1
1 172 . 18 1 1 A 18 18 VAL CA C 18 61.100 61.178 -0.078 1
1 173 . 18 1 1 A 18 18 VAL CB C 18 33.300 33.366 -0.066 1
1 176 . 18 1 1 A 18 18 VAL N N 18 127.000 127.669 -0.669 1
1 177 . 18 1 1 A 19 19 LEU H H 19 8.830 9.306 -0.476 1
1 178 . 18 1 1 A 19 19 LEU HA H 19 4.920 5.142 -0.222 1
1 188 . 18 1 1 A 19 19 LEU CA C 19 53.400 53.528 -0.128 1
1 189 . 18 1 1 A 19 19 LEU CB C 19 41.200 42.375 -1.175 1
1 193 . 18 1 1 A 19 19 LEU N N 19 128.500 128.689 -0.189 1
1 194 . 18 1 1 A 20 20 TYR H H 20 8.470 8.803 -0.333 1
1 195 . 18 1 1 A 20 20 TYR HA H 20 4.280 5.142 -0.862 1
1 202 . 18 1 1 A 20 20 TYR CA C 20 55.600 55.697 -0.097 1
1 203 . 18 1 1 A 20 20 TYR CB C 20 38.200 41.002 -2.802 1
1 206 . 18 1 1 A 20 20 TYR N N 20 120.300 121.443 -1.143 1
1 207 . 18 1 1 A 21 21 ASP H H 21 8.920 8.969 -0.049 1
1 208 . 18 1 1 A 21 21 ASP HA H 21 4.640 4.538 0.102 1
1 211 . 18 1 1 A 21 21 ASP CA C 21 53.000 53.325 -0.325 1
1 212 . 18 1 1 A 21 21 ASP CB C 21 39.300 40.448 -1.148 1
1 213 . 18 1 1 A 21 21 ASP N N 21 118.600 121.888 -3.288 1
1 214 . 18 1 1 A 22 22 GLU H H 22 7.930 8.667 -0.737 1
1 215 . 18 1 1 A 22 22 GLU HA H 22 4.250 4.818 -0.568 1
1 220 . 18 1 1 A 22 22 GLU CA C 22 57.000 58.387 -1.387 1
1 221 . 18 1 1 A 22 22 GLU CB C 22 29.000 28.373 0.627 1
1 223 . 18 1 1 A 22 22 GLU N N 22 126.600 125.931 0.669 1
1 224 . 18 1 1 A 23 23 GLU H H 23 8.060 8.187 -0.127 1
1 225 . 18 1 1 A 23 23 GLU HA H 23 4.130 4.087 0.043 1
1 230 . 18 1 1 A 23 23 GLU CA C 23 57.800 59.009 -1.209 1
1 231 . 18 1 1 A 23 23 GLU CB C 23 29.500 29.595 -0.095 1
1 233 . 18 1 1 A 23 23 GLU N N 23 117.800 119.060 -1.260 1
1 234 . 18 1 1 A 24 24 ARG H H 24 7.070 7.890 -0.820 1
1 235 . 18 1 1 A 24 24 ARG HA H 24 4.170 4.082 0.088 1
1 243 . 18 1 1 A 24 24 ARG CA C 24 56.500 57.461 -0.961 1
1 244 . 18 1 1 A 24 24 ARG CB C 24 33.500 30.999 2.501 1
1 247 . 18 1 1 A 24 24 ARG N N 24 116.700 118.939 -2.239 1
1 249 . 18 1 1 A 25 25 TYR H H 25 8.150 8.191 -0.041 1
1 250 . 18 1 1 A 25 25 TYR HA H 25 5.470 5.120 0.350 1
1 257 . 18 1 1 A 25 25 TYR CA C 25 56.900 57.370 -0.470 1
1 258 . 18 1 1 A 25 25 TYR CB C 25 43.100 40.910 2.190 1
1 261 . 18 1 1 A 25 25 TYR N N 25 116.800 116.575 0.225 1
1 262 . 18 1 1 A 26 26 ASP H H 26 9.120 9.040 0.080 1
1 263 . 18 1 1 A 26 26 ASP HA H 26 5.250 5.426 -0.176 1
1 266 . 18 1 1 A 26 26 ASP CA C 26 52.400 52.757 -0.357 1
1 267 . 18 1 1 A 26 26 ASP CB C 26 44.500 45.157 -0.657 1
1 268 . 18 1 1 A 26 26 ASP N N 26 116.900 121.157 -4.257 1
1 269 . 18 1 1 A 27 27 ILE H H 27 8.640 8.816 -0.176 1
1 270 . 18 1 1 A 27 27 ILE HA H 27 4.100 3.945 0.155 1
1 280 . 18 1 1 A 27 27 ILE CA C 27 61.400 61.100 0.300 1
1 281 . 18 1 1 A 27 27 ILE CB C 27 38.600 36.716 1.884 1
1 285 . 18 1 1 A 27 27 ILE N N 27 121.200 125.128 -3.928 1
1 286 . 18 1 1 A 28 28 VAL H H 28 8.840 8.949 -0.109 1
1 287 . 18 1 1 A 28 28 VAL HA H 28 3.930 4.046 -0.116 1
1 295 . 18 1 1 A 28 28 VAL CA C 28 63.800 63.834 -0.034 1
1 296 . 18 1 1 A 28 28 VAL CB C 28 32.900 32.468 0.432 1
1 299 . 18 1 1 A 28 28 VAL N N 28 128.700 128.733 -0.033 1
1 300 . 18 1 1 A 29 29 GLU H H 29 7.180 7.302 -0.122 1
1 301 . 18 1 1 A 29 29 GLU HA H 29 4.490 4.833 -0.343 1
1 306 . 18 1 1 A 29 29 GLU CA C 29 55.200 55.162 0.038 1
1 307 . 18 1 1 A 29 29 GLU CB C 29 32.900 33.438 -0.538 1
1 309 . 18 1 1 A 29 29 GLU N N 29 116.000 118.077 -2.077 1
1 310 . 18 1 1 A 30 30 GLN H H 30 8.760 8.785 -0.025 1
1 311 . 18 1 1 A 30 30 GLN HA H 30 5.450 5.304 0.146 1
1 314 . 18 1 1 A 30 30 GLN CA C 30 54.200 54.564 -0.364 1
1 315 . 18 1 1 A 30 30 GLN CB C 30 33.100 31.919 1.181 1
1 316 . 18 1 1 A 30 30 GLN N N 30 117.200 121.230 -4.030 1
1 317 . 18 1 1 A 31 31 THR H H 31 8.200 8.772 -0.572 1
1 318 . 18 1 1 A 31 31 THR HA H 31 4.160 4.601 -0.441 1
1 323 . 18 1 1 A 31 31 THR CA C 31 64.500 62.656 1.844 1
1 324 . 18 1 1 A 31 31 THR CB C 31 70.300 69.595 0.705 1
1 326 . 18 1 1 A 31 31 THR N N 31 119.400 117.281 2.119 1
1 327 . 18 1 1 A 32 32 GLU H H 32 9.230 8.717 0.513 1
1 328 . 18 1 1 A 32 32 GLU HA H 32 4.170 4.421 -0.251 1
1 333 . 18 1 1 A 32 32 GLU CA C 32 60.000 58.391 1.609 1
1 334 . 18 1 1 A 32 32 GLU CB C 32 31.000 29.627 1.373 1
1 336 . 18 1 1 A 32 32 GLU N N 32 129.600 125.219 4.381 1
1 337 . 18 1 1 A 33 33 THR H H 33 7.510 7.919 -0.409 1
1 338 . 18 1 1 A 33 33 THR HA H 33 5.320 5.126 0.194 1
1 343 . 18 1 1 A 33 33 THR CA C 33 58.500 59.690 -1.190 1
1 344 . 18 1 1 A 33 33 THR CB C 33 73.100 71.792 1.308 1
1 346 . 18 1 1 A 33 33 THR N N 33 107.500 108.800 -1.300 1
1 347 . 18 1 1 A 34 34 VAL H H 34 8.700 8.718 -0.018 1
1 348 . 18 1 1 A 34 34 VAL HA H 34 4.670 5.088 -0.418 1
1 356 . 18 1 1 A 34 34 VAL CA C 34 59.200 58.803 0.397 1
1 357 . 18 1 1 A 34 34 VAL CB C 34 35.200 35.441 -0.241 1
1 360 . 18 1 1 A 34 34 VAL N N 34 112.000 117.943 -5.943 1
1 361 . 18 1 1 A 35 35 GLN H H 35 8.930 8.913 0.017 1
1 362 . 18 1 1 A 35 35 GLN HA H 35 4.790 5.481 -0.691 1
1 369 . 18 1 1 A 35 35 GLN CA C 35 54.800 54.370 0.430 1
1 370 . 18 1 1 A 35 35 GLN CB C 35 29.900 31.538 -1.638 1
1 372 . 18 1 1 A 35 35 GLN N N 35 123.200 121.938 1.262 1
1 374 . 18 1 1 A 36 36 VAL H H 36 7.940 8.364 -0.424 1
1 375 . 18 1 1 A 36 36 VAL HA H 36 4.850 4.942 -0.092 1
1 383 . 18 1 1 A 36 36 VAL CA C 36 61.300 60.798 0.502 1
1 384 . 18 1 1 A 36 36 VAL CB C 36 34.200 34.070 0.130 1
1 387 . 18 1 1 A 36 36 VAL N N 36 124.300 126.094 -1.794 1
1 388 . 18 1 1 A 37 37 ASP H H 37 8.670 9.235 -0.565 1
1 389 . 18 1 1 A 37 37 ASP HA H 37 5.240 5.307 -0.067 1
1 392 . 18 1 1 A 37 37 ASP CA C 37 53.000 52.615 0.385 1
1 393 . 18 1 1 A 37 37 ASP CB C 37 44.700 44.454 0.246 1
1 394 . 18 1 1 A 37 37 ASP N N 37 126.900 127.674 -0.774 1
1 395 . 18 1 1 A 38 38 LEU H H 38 8.850 9.280 -0.430 1
1 396 . 18 1 1 A 38 38 LEU HA H 38 5.160 4.980 0.180 1
1 406 . 18 1 1 A 38 38 LEU CA C 38 52.400 53.272 -0.872 1
1 407 . 18 1 1 A 38 38 LEU CB C 38 46.100 44.121 1.979 1
1 411 . 18 1 1 A 38 38 LEU N N 38 119.100 125.839 -6.739 1
1 412 . 18 1 1 A 39 39 GLU H H 39 8.380 9.199 -0.819 1
1 413 . 18 1 1 A 39 39 GLU HA H 39 5.210 5.430 -0.220 1
1 418 . 18 1 1 A 39 39 GLU CA C 39 54.600 54.535 0.065 1
1 419 . 18 1 1 A 39 39 GLU CB C 39 33.900 32.861 1.039 1
1 421 . 18 1 1 A 39 39 GLU N N 39 120.800 124.448 -3.648 1
1 422 . 18 1 1 A 40 40 GLY H H 40 8.110 8.205 -0.095 1
1 423 . 18 1 1 A 40 40 GLY HA2 H 40 4.230 3.684 0.546 1
1 424 . 18 1 1 A 40 40 GLY HA3 H 40 3.730 4.003 -0.273 1
1 425 . 18 1 1 A 40 40 GLY CA C 40 45.000 44.812 0.188 1
1 426 . 18 1 1 A 40 40 GLY N N 40 110.000 111.115 -1.115 1
1 427 . 18 1 1 A 41 41 PRO HA H 41 4.380 4.767 -0.387 1
1 434 . 18 1 1 A 41 41 PRO CA C 41 62.200 62.913 -0.713 1
1 435 . 18 1 1 A 41 41 PRO CB C 41 32.400 32.427 -0.027 1
1 438 . 18 1 1 A 42 42 ARG H H 42 9.020 8.715 0.305 1
1 439 . 18 1 1 A 42 42 ARG HA H 42 3.790 3.928 -0.138 1
1 446 . 18 1 1 A 42 42 ARG CA C 42 60.400 58.865 1.535 1
1 447 . 18 1 1 A 42 42 ARG CB C 42 29.900 29.697 0.203 1
1 450 . 18 1 1 A 42 42 ARG N N 42 125.500 123.268 2.232 1
1 451 . 18 1 1 A 43 43 GLY H H 43 9.310 8.429 0.881 1
1 452 . 18 1 1 A 43 43 GLY HA2 H 43 3.890 3.758 0.132 1
1 453 . 18 1 1 A 43 43 GLY HA3 H 43 3.890 3.769 0.121 1
1 454 . 18 1 1 A 43 43 GLY CA C 43 47.000 47.538 -0.538 1
1 455 . 18 1 1 A 43 43 GLY N N 43 107.200 109.123 -1.923 1
1 456 . 18 1 1 A 44 44 VAL H H 44 6.930 8.044 -1.114 1
1 457 . 18 1 1 A 44 44 VAL HA H 44 3.800 3.789 0.011 1
1 465 . 18 1 1 A 44 44 VAL CA C 44 65.100 66.099 -0.999 1
1 466 . 18 1 1 A 44 44 VAL CB C 44 32.000 31.805 0.195 1
1 469 . 18 1 1 A 44 44 VAL N N 44 121.100 122.524 -1.424 1
1 470 . 18 1 1 A 45 45 LEU H H 45 7.830 7.769 0.061 1
1 471 . 18 1 1 A 45 45 LEU HA H 45 3.890 4.030 -0.140 1
1 481 . 18 1 1 A 45 45 LEU CA C 45 58.100 58.014 0.086 1
1 482 . 18 1 1 A 45 45 LEU CB C 45 41.800 41.839 -0.039 1
1 486 . 18 1 1 A 45 45 LEU N N 45 120.700 119.413 1.287 1
1 487 . 18 1 1 A 46 46 THR H H 46 8.340 8.499 -0.159 1
1 488 . 18 1 1 A 46 46 THR HA H 46 3.850 3.918 -0.068 1
1 493 . 18 1 1 A 46 46 THR CA C 46 66.800 66.740 0.060 1
1 494 . 18 1 1 A 46 46 THR CB C 46 68.800 67.939 0.861 1
1 496 . 18 1 1 A 46 46 THR N N 46 114.900 116.298 -1.398 1
1 497 . 18 1 1 A 47 47 VAL H H 47 7.210 7.903 -0.693 1
1 498 . 18 1 1 A 47 47 VAL HA H 47 3.820 3.850 -0.030 1
1 506 . 18 1 1 A 47 47 VAL CA C 47 65.600 66.680 -1.080 1
1 507 . 18 1 1 A 47 47 VAL CB C 47 31.900 31.655 0.245 1
1 510 . 18 1 1 A 47 47 VAL N N 47 119.600 121.358 -1.758 1
1 511 . 18 1 1 A 48 48 PHE H H 48 8.140 8.499 -0.359 1
1 512 . 18 1 1 A 48 48 PHE HA H 48 4.210 4.119 0.091 1
1 520 . 18 1 1 A 48 48 PHE CA C 48 61.100 60.850 0.250 1
1 521 . 18 1 1 A 48 48 PHE CB C 48 39.200 39.183 0.017 1
1 525 . 18 1 1 A 48 48 PHE N N 48 120.600 120.596 0.004 1
1 526 . 18 1 1 A 49 49 ARG H H 49 8.150 8.122 0.028 1
1 527 . 18 1 1 A 49 49 ARG HA H 49 3.710 3.981 -0.271 1
1 534 . 18 1 1 A 49 49 ARG CA C 49 58.500 58.818 -0.318 1
1 535 . 18 1 1 A 49 49 ARG CB C 49 30.000 29.844 0.156 1
1 538 . 18 1 1 A 49 49 ARG N N 49 117.500 118.203 -0.703 1
1 539 . 18 1 1 A 50 50 PHE H H 50 7.270 7.480 -0.210 1
1 540 . 18 1 1 A 50 50 PHE HA H 50 4.620 4.318 0.302 1
1 548 . 18 1 1 A 50 50 PHE CA C 50 57.700 60.029 -2.329 1
1 549 . 18 1 1 A 50 50 PHE CB C 50 39.600 39.840 -0.240 1
1 553 . 18 1 1 A 50 50 PHE N N 50 115.500 116.294 -0.794 1
1 554 . 18 1 1 A 51 51 ALA H H 51 7.620 7.161 0.459 1
1 555 . 18 1 1 A 51 51 ALA HA H 51 4.320 4.251 0.069 1
1 559 . 18 1 1 A 51 51 ALA CA C 51 51.700 52.267 -0.567 1
1 560 . 18 1 1 A 51 51 ALA CB C 51 19.300 19.290 0.010 1
1 561 . 18 1 1 A 51 51 ALA N N 51 124.200 121.007 3.193 1
1 562 . 18 1 1 A 52 52 ARG H H 52 8.570 8.484 0.086 1
1 563 . 18 1 1 A 52 52 ARG HA H 52 4.270 4.406 -0.136 1
1 570 . 18 1 1 A 52 52 ARG CA C 52 54.700 54.648 0.052 1
1 571 . 18 1 1 A 52 52 ARG CB C 52 29.300 29.260 0.040 1
1 574 . 18 1 1 A 52 52 ARG N N 52 123.500 123.555 -0.055 1
1 575 . 18 1 1 A 53 53 PRO HA H 53 4.240 4.109 0.131 1
1 582 . 18 1 1 A 53 53 PRO CA C 53 63.600 63.115 0.485 1
1 583 . 18 1 1 A 53 53 PRO CB C 53 31.600 31.811 -0.211 1
1 586 . 18 1 1 A 54 54 SER H H 54 8.100 8.607 -0.507 1
1 587 . 18 1 1 A 54 54 SER HA H 54 4.390 4.752 -0.362 1
1 590 . 18 1 1 A 54 54 SER CA C 54 57.200 57.680 -0.480 1
1 591 . 18 1 1 A 54 54 SER CB C 54 63.100 64.923 -1.823 1
1 592 . 18 1 1 A 54 54 SER N N 54 117.200 118.728 -1.528 1
1 593 . 18 1 1 A 55 55 TYR H H 55 6.640 7.000 -0.360 1
1 594 . 18 1 1 A 55 55 TYR HA H 55 5.030 5.364 -0.334 1
1 601 . 18 1 1 A 55 55 TYR CA C 55 53.900 55.912 -2.012 1
1 602 . 18 1 1 A 55 55 TYR CB C 55 39.200 41.243 -2.043 1
1 605 . 18 1 1 A 55 55 TYR N N 55 119.200 117.751 1.449 1
1 606 . 18 1 1 A 56 56 GLU H H 56 8.890 9.239 -0.349 1
1 607 . 18 1 1 A 56 56 GLU HA H 56 4.740 5.225 -0.485 1
1 612 . 18 1 1 A 56 56 GLU CA C 56 55.700 55.249 0.451 1
1 613 . 18 1 1 A 56 56 GLU CB C 56 35.000 34.140 0.860 1
1 615 . 18 1 1 A 56 56 GLU N N 56 118.800 121.886 -3.086 1
1 616 . 18 1 1 A 57 57 VAL H H 57 8.830 8.694 0.136 1
1 617 . 18 1 1 A 57 57 VAL HA H 57 5.370 5.095 0.275 1
1 625 . 18 1 1 A 57 57 VAL CA C 57 59.900 61.487 -1.587 1
1 626 . 18 1 1 A 57 57 VAL CB C 57 33.300 34.270 -0.970 1
1 629 . 18 1 1 A 57 57 VAL N N 57 117.800 124.887 -7.087 1
1 630 . 18 1 1 A 58 58 PHE H H 58 8.870 8.594 0.276 1
1 631 . 18 1 1 A 58 58 PHE HA H 58 6.090 6.118 -0.028 1
1 634 . 18 1 1 A 58 58 PHE CA C 58 55.600 55.837 -0.237 1
1 635 . 18 1 1 A 58 58 PHE CB C 58 42.700 42.330 0.370 1
1 636 . 18 1 1 A 58 58 PHE N N 58 120.600 123.082 -2.482 1
1 637 . 18 1 1 A 59 59 VAL H H 59 8.270 8.614 -0.344 1
1 638 . 18 1 1 A 59 59 VAL HA H 59 4.730 4.787 -0.057 1
1 646 . 18 1 1 A 59 59 VAL CA C 59 58.500 59.713 -1.213 1
1 647 . 18 1 1 A 59 59 VAL CB C 59 34.800 35.322 -0.522 1
1 650 . 18 1 1 A 59 59 VAL N N 59 108.700 117.046 -8.346 1
1 651 . 18 1 1 A 60 60 ASP H H 60 9.360 8.920 0.440 1
1 652 . 18 1 1 A 60 60 ASP HA H 60 5.080 5.149 -0.069 1
1 655 . 18 1 1 A 60 60 ASP CA C 60 52.700 53.605 -0.905 1
1 656 . 18 1 1 A 60 60 ASP CB C 60 41.100 41.427 -0.327 1
1 657 . 18 1 1 A 60 60 ASP N N 60 123.000 124.547 -1.547 1
1 658 . 18 1 1 A 61 61 LEU H H 61 9.230 8.802 0.428 1
1 659 . 18 1 1 A 61 61 LEU HA H 61 4.670 4.702 -0.032 1
1 669 . 18 1 1 A 61 61 LEU CA C 61 53.300 54.184 -0.884 1
1 670 . 18 1 1 A 61 61 LEU CB C 61 40.900 42.585 -1.685 1
1 674 . 18 1 1 A 61 61 LEU N N 61 128.600 126.384 2.216 1
1 675 . 18 1 1 A 62 62 THR H H 62 8.720 7.903 0.817 1
1 676 . 18 1 1 A 62 62 THR HA H 62 3.590 3.971 -0.381 1
1 681 . 18 1 1 A 62 62 THR CA C 62 67.000 66.801 0.199 1
1 682 . 18 1 1 A 62 62 THR CB C 62 69.100 68.402 0.698 1
1 684 . 18 1 1 A 62 62 THR N N 62 115.800 114.378 1.422 1
1 685 . 18 1 1 A 63 63 GLU H H 63 8.490 7.872 0.618 1
1 686 . 18 1 1 A 63 63 GLU HA H 63 4.530 4.143 0.387 1
1 691 . 18 1 1 A 63 63 GLU CA C 63 55.100 58.534 -3.434 1
1 692 . 18 1 1 A 63 63 GLU CB C 63 29.200 30.331 -1.131 1
1 694 . 18 1 1 A 63 63 GLU N N 63 118.800 119.042 -0.242 1
1 695 . 18 1 1 A 64 64 ALA H H 64 7.100 7.778 -0.678 1
1 696 . 18 1 1 A 64 64 ALA HA H 64 4.130 3.949 0.181 1
1 700 . 18 1 1 A 64 64 ALA CA C 64 51.500 53.984 -2.484 1
1 701 . 18 1 1 A 64 64 ALA CB C 64 20.900 17.584 3.316 1
1 702 . 18 1 1 A 64 64 ALA N N 64 123.700 122.231 1.469 1
1 703 . 18 1 1 A 65 65 GLY H H 65 7.800 8.636 -0.836 1
1 704 . 18 1 1 A 65 65 GLY HA2 H 65 4.180 3.917 0.263 1
1 705 . 18 1 1 A 65 65 GLY HA3 H 65 3.540 4.079 -0.539 1
1 706 . 18 1 1 A 65 65 GLY CA C 65 42.600 45.644 -3.044 1
1 707 . 18 1 1 A 65 65 GLY N N 65 106.800 104.879 1.921 1
1 708 . 18 1 1 A 66 66 GLU H H 66 8.490 8.515 -0.025 1
1 709 . 18 1 1 A 66 66 GLU HA H 66 3.750 4.775 -1.025 1
1 714 . 18 1 1 A 66 66 GLU CA C 66 57.400 54.825 2.575 1
1 715 . 18 1 1 A 66 66 GLU CB C 66 30.300 32.292 -1.992 1
1 717 . 18 1 1 A 66 66 GLU N N 66 119.900 120.207 -0.307 1
1 718 . 18 1 1 A 67 67 GLY H H 67 8.470 8.717 -0.247 1
1 719 . 18 1 1 A 67 67 GLY HA2 H 67 3.770 3.841 -0.071 1
1 720 . 18 1 1 A 67 67 GLY HA3 H 67 4.390 3.841 0.549 1
1 721 . 18 1 1 A 67 67 GLY CA C 67 43.400 47.131 -3.731 1
1 722 . 18 1 1 A 67 67 GLY N N 67 110.800 110.715 0.085 1
1 723 . 18 1 1 A 68 68 SER H H 68 8.250 8.409 -0.159 1
1 724 . 18 1 1 A 68 68 SER HA H 68 4.610 4.947 -0.337 1
1 727 . 18 1 1 A 68 68 SER CA C 68 57.700 56.929 0.771 1
1 728 . 18 1 1 A 68 68 SER CB C 68 63.300 64.748 -1.448 1
1 729 . 18 1 1 A 68 68 SER N N 68 114.500 119.792 -5.292 1
1 730 . 18 1 1 A 69 69 HIS H H 69 8.780 8.677 0.103 1
1 731 . 18 1 1 A 69 69 HIS HA H 69 4.790 5.377 -0.587 1
1 734 . 18 1 1 A 69 69 HIS CA C 69 55.300 54.041 1.259 1
1 735 . 18 1 1 A 69 69 HIS CB C 69 33.900 32.533 1.367 1
1 736 . 18 1 1 A 69 69 HIS N N 69 125.400 127.752 -2.352 1
1 737 . 18 1 1 A 70 70 THR H H 70 8.870 8.765 0.105 1
1 738 . 18 1 1 A 70 70 THR HA H 70 5.380 5.139 0.241 1
1 743 . 18 1 1 A 70 70 THR CA C 70 61.600 62.069 -0.469 1
1 744 . 18 1 1 A 70 70 THR CB C 70 69.400 69.559 -0.159 1
1 746 . 18 1 1 A 70 70 THR N N 70 121.200 122.795 -1.595 1
1 747 . 18 1 1 A 71 71 VAL H H 71 8.860 9.034 -0.174 1
1 748 . 18 1 1 A 71 71 VAL HA H 71 4.730 4.902 -0.172 1
1 756 . 18 1 1 A 71 71 VAL CA C 71 58.900 58.532 0.368 1
1 757 . 18 1 1 A 71 71 VAL CB C 71 36.000 35.430 0.570 1
1 760 . 18 1 1 A 71 71 VAL N N 71 122.100 121.025 1.075 1
1 761 . 18 1 1 A 72 72 ASP H H 72 8.610 8.531 0.079 1
1 762 . 18 1 1 A 72 72 ASP HA H 72 4.660 5.092 -0.432 1
1 765 . 18 1 1 A 72 72 ASP CA C 72 55.500 53.799 1.701 1
1 766 . 18 1 1 A 72 72 ASP CB C 72 40.800 41.220 -0.420 1
1 767 . 18 1 1 A 72 72 ASP N N 72 124.300 121.994 2.306 1
1 768 . 18 1 1 A 73 73 VAL H H 73 8.090 8.922 -0.832 1
1 769 . 18 1 1 A 73 73 VAL HA H 73 3.770 4.220 -0.450 1
1 777 . 18 1 1 A 73 73 VAL CA C 73 63.600 62.067 1.533 1
1 778 . 18 1 1 A 73 73 VAL CB C 73 31.600 32.257 -0.657 1
1 781 . 18 1 1 A 73 73 VAL N N 73 121.400 124.099 -2.699 1
1 782 . 18 1 1 A 74 74 GLU H H 74 8.900 8.474 0.426 1
1 783 . 18 1 1 A 74 74 GLU HA H 74 4.370 4.523 -0.153 1
1 788 . 18 1 1 A 74 74 GLU CA C 74 54.700 55.492 -0.792 1
1 789 . 18 1 1 A 74 74 GLU CB C 74 33.300 31.805 1.495 1
1 791 . 18 1 1 A 74 74 GLU N N 74 129.600 127.333 2.267 1
1 792 . 18 1 1 A 75 75 HIS H H 75 7.940 8.160 -0.220 1
1 793 . 18 1 1 A 75 75 HIS HA H 75 5.830 5.650 0.180 1
1 796 . 18 1 1 A 75 75 HIS CA C 75 54.100 53.370 0.730 1
1 797 . 18 1 1 A 75 75 HIS CB C 75 39.500 33.256 6.244 1
1 798 . 18 1 1 A 75 75 HIS N N 75 112.800 117.918 -5.118 1
1 799 . 18 1 1 A 76 76 ARG H H 76 9.210 8.355 0.855 1
1 800 . 18 1 1 A 76 76 ARG HA H 76 5.170 4.666 0.504 1
1 805 . 18 1 1 A 76 76 ARG CA C 76 55.300 54.754 0.546 1
1 806 . 18 1 1 A 76 76 ARG CB C 76 33.400 34.087 -0.687 1
1 808 . 18 1 1 A 76 76 ARG N N 76 117.100 119.013 -1.913 1
1 809 . 18 1 1 A 77 77 GLY H H 77 8.740 8.273 0.467 1
1 810 . 18 1 1 A 77 77 GLY HA2 H 77 4.410 4.102 0.308 1
1 811 . 18 1 1 A 77 77 GLY HA3 H 77 3.670 4.197 -0.527 1
1 812 . 18 1 1 A 77 77 GLY CA C 77 45.400 45.536 -0.136 1
1 813 . 18 1 1 A 77 77 GLY N N 77 107.400 110.509 -3.109 1
1 814 . 18 1 1 A 78 78 PHE H H 78 7.920 7.875 0.045 1
1 815 . 18 1 1 A 78 78 PHE HA H 78 4.450 4.773 -0.323 1
1 823 . 18 1 1 A 78 78 PHE CA C 78 54.200 55.506 -1.306 1
1 824 . 18 1 1 A 78 78 PHE CB C 78 41.000 39.395 1.605 1
1 828 . 18 1 1 A 78 78 PHE N N 78 120.200 119.347 0.853 1
1 829 . 18 1 1 A 79 79 PRO HA H 79 4.470 4.717 -0.247 1
1 836 . 18 1 1 A 79 79 PRO CA C 79 63.300 62.978 0.322 1
1 837 . 18 1 1 A 79 79 PRO CB C 79 32.200 31.968 0.232 1
1 840 . 18 1 1 A 80 80 GLY H H 80 8.820 8.778 0.042 1
1 841 . 18 1 1 A 80 80 GLY HA2 H 80 4.020 3.992 0.028 1
1 842 . 18 1 1 A 80 80 GLY HA3 H 80 3.890 4.012 -0.122 1
1 843 . 18 1 1 A 80 80 GLY CA C 80 46.600 45.534 1.066 1
1 844 . 18 1 1 A 80 80 GLY N N 80 110.100 109.582 0.518 1
1 845 . 18 1 1 A 81 81 ASP H H 81 8.360 7.963 0.397 1
1 846 . 18 1 1 A 81 81 ASP HA H 81 4.560 4.639 -0.079 1
1 849 . 18 1 1 A 81 81 ASP CA C 81 53.800 55.129 -1.329 1
1 850 . 18 1 1 A 81 81 ASP CB C 81 40.300 41.409 -1.109 1
1 851 . 18 1 1 A 81 81 ASP N N 81 114.800 119.816 -5.016 1
1 852 . 18 1 1 A 82 82 LEU H H 82 7.400 7.488 -0.088 1
1 853 . 18 1 1 A 82 82 LEU HA H 82 4.720 4.619 0.101 1
1 863 . 18 1 1 A 82 82 LEU CA C 82 52.800 53.800 -1.000 1
1 864 . 18 1 1 A 82 82 LEU CB C 82 42.900 42.745 0.155 1
1 868 . 18 1 1 A 82 82 LEU N N 82 115.500 118.974 -3.474 1
1 869 . 18 1 1 A 83 83 ALA H H 83 8.930 8.659 0.271 1
1 870 . 18 1 1 A 83 83 ALA HA H 83 4.530 4.663 -0.133 1
1 874 . 18 1 1 A 83 83 ALA CA C 83 50.900 51.291 -0.391 1
1 875 . 18 1 1 A 83 83 ALA CB C 83 19.600 19.433 0.167 1
1 876 . 18 1 1 A 83 83 ALA N N 83 124.900 123.880 1.020 1
1 877 . 18 1 1 A 84 84 VAL H H 84 8.570 8.956 -0.386 1
1 878 . 18 1 1 A 84 84 VAL HA H 84 3.930 4.568 -0.638 1
1 886 . 18 1 1 A 84 84 VAL CA C 84 61.300 61.450 -0.150 1
1 887 . 18 1 1 A 84 84 VAL CB C 84 32.800 32.300 0.500 1
1 890 . 18 1 1 A 84 84 VAL N N 84 126.800 123.914 2.886 1
1 891 . 18 1 1 A 85 85 THR H H 85 9.000 9.417 -0.417 1
1 892 . 18 1 1 A 85 85 THR HA H 85 4.440 4.940 -0.500 1
1 897 . 18 1 1 A 85 85 THR CA C 85 61.900 61.638 0.262 1
1 898 . 18 1 1 A 85 85 THR CB C 85 70.100 70.480 -0.380 1
1 900 . 18 1 1 A 85 85 THR N N 85 125.500 123.500 2.000 1
1 901 . 18 1 1 A 86 86 VAL H H 86 8.280 9.253 -0.973 1
1 902 . 18 1 1 A 86 86 VAL HA H 86 5.010 4.984 0.026 1
1 910 . 18 1 1 A 86 86 VAL CA C 86 59.300 60.122 -0.822 1
1 911 . 18 1 1 A 86 86 VAL CB C 86 33.700 35.718 -2.018 1
1 914 . 18 1 1 A 86 86 VAL N N 86 123.200 125.814 -2.614 1
1 915 . 18 1 1 A 87 87 GLU H H 87 8.560 8.888 -0.328 1
1 916 . 18 1 1 A 87 87 GLU HA H 87 4.720 4.829 -0.109 1
1 921 . 18 1 1 A 87 87 GLU CA C 87 52.400 53.443 -1.043 1
1 922 . 18 1 1 A 87 87 GLU CB C 87 33.600 30.249 3.351 1
1 924 . 18 1 1 A 87 87 GLU N N 87 124.400 125.603 -1.203 1
1 925 . 18 1 1 A 88 88 PRO HA H 88 4.770 4.439 0.331 1
1 932 . 18 1 1 A 88 88 PRO CA C 88 62.800 63.622 -0.822 1
1 933 . 18 1 1 A 88 88 PRO CB C 88 34.300 32.233 2.067 1
1 936 . 18 1 1 A 89 89 ARG H H 89 8.200 8.266 -0.066 1
1 937 . 18 1 1 A 89 89 ARG HA H 89 4.050 4.421 -0.371 1
1 945 . 18 1 1 A 89 89 ARG CA C 89 57.300 56.088 1.212 1
1 946 . 18 1 1 A 89 89 ARG CB C 89 30.700 30.206 0.494 1
1 949 . 18 1 1 A 89 89 ARG N N 89 114.400 118.822 -4.422 1
1 951 . 18 1 1 A 90 90 MET H H 90 7.750 7.586 0.164 1
1 952 . 18 1 1 A 90 90 MET HA H 90 5.060 5.011 0.049 1
1 960 . 18 1 1 A 90 90 MET CA C 90 53.700 53.734 -0.034 1
1 961 . 18 1 1 A 90 90 MET CB C 90 34.700 33.984 0.716 1
1 964 . 18 1 1 A 90 90 MET N N 90 115.900 119.540 -3.640 1
1 965 . 18 1 1 A 91 91 ALA H H 91 9.020 9.639 -0.619 1
1 966 . 18 1 1 A 91 91 ALA HA H 91 4.640 5.365 -0.725 1
1 970 . 18 1 1 A 91 91 ALA CA C 91 49.300 50.002 -0.702 1
1 971 . 18 1 1 A 91 91 ALA CB C 91 23.600 21.774 1.826 1
1 972 . 18 1 1 A 91 91 ALA N N 91 123.200 126.022 -2.822 1
1 973 . 18 1 1 A 92 92 ARG H H 92 8.370 8.758 -0.388 1
1 974 . 18 1 1 A 92 92 ARG HA H 92 5.480 5.309 0.171 1
1 982 . 18 1 1 A 92 92 ARG CA C 92 54.000 54.855 -0.855 1
1 983 . 18 1 1 A 92 92 ARG CB C 92 32.600 32.363 0.237 1
1 986 . 18 1 1 A 92 92 ARG N N 92 119.600 121.488 -1.888 1
1 988 . 18 1 1 A 93 93 VAL H H 93 8.920 8.590 0.330 1
1 989 . 18 1 1 A 93 93 VAL HA H 93 4.510 4.819 -0.309 1
1 997 . 18 1 1 A 93 93 VAL CA C 93 61.000 60.776 0.224 1
1 998 . 18 1 1 A 93 93 VAL CB C 93 36.900 35.202 1.698 1
1 1001 . 18 1 1 A 93 93 VAL N N 93 124.100 122.990 1.110 1
1 1002 . 18 1 1 A 94 94 GLN H H 94 8.930 9.418 -0.488 1
1 1003 . 18 1 1 A 94 94 GLN HA H 94 5.400 4.972 0.428 1
1 1010 . 18 1 1 A 94 94 GLN CA C 94 53.500 54.335 -0.835 1
1 1011 . 18 1 1 A 94 94 GLN CB C 94 30.300 31.762 -1.462 1
1 1013 . 18 1 1 A 94 94 GLN N N 94 127.900 127.874 0.026 1
1 1015 . 18 1 1 A 95 95 LEU H H 95 8.870 9.220 -0.350 1
1 1016 . 18 1 1 A 95 95 LEU HA H 95 5.390 5.184 0.206 1
1 1026 . 18 1 1 A 95 95 LEU CA C 95 53.000 53.371 -0.371 1
1 1027 . 18 1 1 A 95 95 LEU CB C 95 44.800 43.282 1.518 1
1 1031 . 18 1 1 A 95 95 LEU N N 95 126.400 128.596 -2.196 1
1 1032 . 18 1 1 A 96 96 GLU H H 96 9.300 8.977 0.323 1
1 1033 . 18 1 1 A 96 96 GLU HA H 96 5.000 5.146 -0.146 1
1 1038 . 18 1 1 A 96 96 GLU CA C 96 54.300 54.463 -0.163 1
1 1039 . 18 1 1 A 96 96 GLU CB C 96 33.800 33.423 0.377 1
1 1041 . 18 1 1 A 96 96 GLU N N 96 122.700 125.844 -3.144 1
1 1042 . 18 1 1 A 97 97 GLU H H 97 9.730 8.565 1.165 1
1 1043 . 18 1 1 A 97 97 GLU HA H 97 4.360 5.063 -0.703 1
1 1048 . 18 1 1 A 97 97 GLU CA C 97 57.600 57.250 0.350 1
1 1049 . 18 1 1 A 97 97 GLU CB C 97 30.000 29.736 0.264 1
1 1051 . 18 1 1 A 97 97 GLU N N 97 126.200 124.216 1.984 1
1 1052 . 18 1 1 A 98 98 ARG H H 98 8.300 8.245 0.055 1
1 1053 . 18 1 1 A 98 98 ARG HA H 98 4.180 4.203 -0.023 1
1 1061 . 18 1 1 A 98 98 ARG CA C 98 56.800 56.874 -0.074 1
1 1062 . 18 1 1 A 98 98 ARG CB C 98 30.700 30.901 -0.201 1
1 1065 . 18 1 1 A 98 98 ARG N N 98 126.500 125.611 0.889 1
1 1067 . 18 1 1 A 99 99 GLN H H 99 8.810 8.795 0.015 1
1 1068 . 18 1 1 A 99 99 GLN HA H 99 4.370 4.141 0.229 1
1 1075 . 18 1 1 A 99 99 GLN CA C 99 55.600 58.795 -3.195 1
1 1076 . 18 1 1 A 99 99 GLN CB C 99 29.500 28.290 1.210 1
1 1078 . 18 1 1 A 99 99 GLN N N 99 123.700 125.788 -2.088 1
1 1080 . 18 1 1 A 100 100 THR H H 100 8.340 8.056 0.284 1
1 1081 . 18 1 1 A 100 100 THR HA H 100 4.330 4.540 -0.210 1
1 1086 . 18 1 1 A 100 100 THR CA C 100 61.700 61.283 0.417 1
1 1087 . 18 1 1 A 100 100 THR CB C 100 69.800 70.102 -0.302 1
1 1089 . 18 1 1 A 100 100 THR N N 100 116.700 111.856 4.844 1
1 1090 . 18 1 1 A 101 101 VAL H H 101 8.290 7.511 0.779 1
1 1091 . 18 1 1 A 101 101 VAL HA H 101 4.170 4.606 -0.436 1
1 1099 . 18 1 1 A 101 101 VAL CA C 101 61.900 60.856 1.044 1
1 1100 . 18 1 1 A 101 101 VAL CB C 101 32.800 35.107 -2.307 1
1 1103 . 18 1 1 A 101 101 VAL N N 101 122.900 122.006 0.894 1
1 1104 . 18 1 1 A 102 102 SER H H 102 8.490 9.032 -0.542 1
1 1105 . 18 1 1 A 102 102 SER HA H 102 4.470 4.678 -0.208 1
1 1108 . 18 1 1 A 102 102 SER CA C 102 58.000 58.085 -0.085 1
1 1109 . 18 1 1 A 102 102 SER CB C 102 63.600 65.094 -1.494 1
1 1110 . 18 1 1 A 102 102 SER N N 102 120.700 122.224 -1.524 1
1 1111 . 18 1 1 A 103 103 VAL H H 103 8.240 8.210 0.030 1
1 1112 . 18 1 1 A 103 103 VAL HA H 103 4.420 4.199 0.221 1
1 1120 . 18 1 1 A 103 103 VAL CA C 103 59.700 60.924 -1.224 1
1 1121 . 18 1 1 A 103 103 VAL CB C 103 32.700 31.689 1.011 1
1 1124 . 18 1 1 A 103 103 VAL N N 103 123.900 117.548 6.352 1
1 1125 . 18 1 1 A 104 104 PRO HA H 104 4.420 4.461 -0.041 1
1 1132 . 18 1 1 A 104 104 PRO CA C 104 63.000 63.721 -0.721 1
1 1133 . 18 1 1 A 104 104 PRO CB C 104 32.000 32.196 -0.196 1
1 1136 . 18 1 1 A 105 105 VAL H H 105 8.340 7.358 0.982 1
1 1137 . 18 1 1 A 105 105 VAL HA H 105 4.130 3.968 0.162 1
1 1145 . 18 1 1 A 105 105 VAL CA C 105 62.200 61.986 0.214 1
1 1146 . 18 1 1 A 105 105 VAL CB C 105 32.600 31.205 1.395 1
1 1149 . 18 1 1 A 105 105 VAL N N 105 121.000 121.509 -0.509 1
1 1150 . 18 1 1 A 106 106 THR H H 106 8.210 8.753 -0.543 1
1 1151 . 18 1 1 A 106 106 THR HA H 106 4.380 4.446 -0.066 1
1 1156 . 18 1 1 A 106 106 THR CA C 106 61.400 62.929 -1.529 1
1 1157 . 18 1 1 A 106 106 THR CB C 106 70.000 69.588 0.412 1
1 1159 . 18 1 1 A 106 106 THR N N 106 118.700 124.009 -5.309 1
1 1160 . 18 1 1 A 107 107 VAL H H 107 8.280 8.668 -0.388 1
1 1161 . 18 1 1 A 107 107 VAL HA H 107 4.050 3.960 0.090 1
1 1169 . 18 1 1 A 107 107 VAL CA C 107 62.600 62.805 -0.205 1
1 1170 . 18 1 1 A 107 107 VAL CB C 107 32.600 32.330 0.270 1
1 1173 . 18 1 1 A 107 107 VAL N N 107 122.700 126.059 -3.359 1
1 1174 . 18 1 1 A 108 108 GLU H H 108 8.500 8.854 -0.354 1
1 1175 . 18 1 1 A 108 108 GLU HA H 108 4.230 4.113 0.117 1
1 1180 . 18 1 1 A 108 108 GLU CA C 108 56.600 58.922 -2.322 1
1 1181 . 18 1 1 A 108 108 GLU CB C 108 30.000 28.956 1.044 1
1 1183 . 18 1 1 A 108 108 GLU N N 108 124.100 123.075 1.025 1
1 1184 . 18 1 1 A 109 109 MET H H 109 8.570 8.086 0.484 1
1 1185 . 18 1 1 A 109 109 MET HA H 109 4.460 4.907 -0.447 1
1 1188 . 18 1 1 A 109 109 MET CA C 109 55.300 54.321 0.979 1
1 1189 . 18 1 1 A 109 109 MET CB C 109 26.800 35.819 -9.019 1
1 1190 . 18 1 1 A 109 109 MET N N 109 121.300 118.496 2.804 1
1 1191 . 18 1 1 A 110 110 ILE H H 110 8.280 8.626 -0.346 1
1 1192 . 18 1 1 A 110 110 ILE HA H 110 4.080 4.165 -0.085 1
1 1202 . 18 1 1 A 110 110 ILE CA C 110 61.400 62.387 -0.987 1
1 1203 . 18 1 1 A 110 110 ILE CB C 110 38.700 38.831 -0.131 1
1 1207 . 18 1 1 A 110 110 ILE N N 110 122.600 127.026 -4.426 1
1 1208 . 18 1 1 A 111 111 ASN H H 111 8.590 8.703 -0.113 1
1 1209 . 18 1 1 A 111 111 ASN HA H 111 4.690 4.911 -0.221 1
1 1214 . 18 1 1 A 111 111 ASN CA C 111 53.000 53.263 -0.263 1
1 1215 . 18 1 1 A 111 111 ASN CB C 111 38.600 39.222 -0.622 1
1 1216 . 18 1 1 A 111 111 ASN N N 111 122.800 127.796 -4.996 1
1 1218 . 18 1 1 A 112 112 LEU H H 112 8.340 8.577 -0.237 1
1 1219 . 18 1 1 A 112 112 LEU HA H 112 4.240 4.108 0.132 1
1 1229 . 18 1 1 A 112 112 LEU CA C 112 55.400 57.036 -1.636 1
1 1230 . 18 1 1 A 112 112 LEU CB C 112 42.100 40.741 1.359 1
1 1 . 19 1 1 A 3 3 THR HA H 3 4.250 4.475 -0.225 1
1 6 . 19 1 1 A 3 3 THR CA C 3 62.000 61.595 0.405 1
1 7 . 19 1 1 A 3 3 THR CB C 3 69.700 69.757 -0.057 1
1 9 . 19 1 1 A 4 4 PHE H H 4 8.440 8.753 -0.313 1
1 10 . 19 1 1 A 4 4 PHE HA H 4 4.650 4.857 -0.207 1
1 17 . 19 1 1 A 4 4 PHE CA C 4 57.700 57.137 0.563 1
1 18 . 19 1 1 A 4 4 PHE CB C 4 39.400 41.082 -1.682 1
1 21 . 19 1 1 A 4 4 PHE N N 4 122.400 124.791 -2.391 1
1 22 . 19 1 1 A 5 5 ASP H H 5 8.500 9.379 -0.879 1
1 23 . 19 1 1 A 5 5 ASP HA H 5 4.600 4.153 0.447 1
1 26 . 19 1 1 A 5 5 ASP CA C 5 53.900 54.879 -0.979 1
1 27 . 19 1 1 A 5 5 ASP CB C 5 40.700 39.771 0.929 1
1 28 . 19 1 1 A 5 5 ASP N N 5 121.800 124.045 -2.245 1
1 29 . 19 1 1 A 6 6 HIS H H 6 8.240 8.148 0.092 1
1 30 . 19 1 1 A 6 6 HIS HA H 6 4.780 4.603 0.177 1
1 34 . 19 1 1 A 6 6 HIS CA C 6 55.300 56.748 -1.448 1
1 35 . 19 1 1 A 6 6 HIS CB C 6 31.500 28.601 2.899 1
1 37 . 19 1 1 A 6 6 HIS N N 6 120.400 112.619 7.781 1
1 38 . 19 1 1 A 7 7 GLY H H 7 8.660 9.537 -0.877 1
1 39 . 19 1 1 A 7 7 GLY HA2 H 7 4.500 4.190 0.310 1
1 40 . 19 1 1 A 7 7 GLY HA3 H 7 3.580 4.207 -0.627 1
1 41 . 19 1 1 A 7 7 GLY CA C 7 44.200 44.541 -0.341 1
1 42 . 19 1 1 A 7 7 GLY N N 7 109.200 109.832 -0.632 1
1 43 . 19 1 1 A 8 8 ASN H H 8 8.040 8.604 -0.564 1
1 44 . 19 1 1 A 8 8 ASN HA H 8 5.500 5.636 -0.136 1
1 49 . 19 1 1 A 8 8 ASN CA C 8 52.600 51.894 0.706 1
1 50 . 19 1 1 A 8 8 ASN CB C 8 42.700 41.831 0.869 1
1 51 . 19 1 1 A 8 8 ASN N N 8 115.100 118.753 -3.653 1
1 53 . 19 1 1 A 9 9 LEU H H 9 8.850 8.741 0.109 1
1 54 . 19 1 1 A 9 9 LEU HA H 9 4.530 4.697 -0.167 1
1 64 . 19 1 1 A 9 9 LEU CA C 9 54.700 54.515 0.185 1
1 65 . 19 1 1 A 9 9 LEU CB C 9 47.000 45.965 1.035 1
1 69 . 19 1 1 A 9 9 LEU N N 9 123.500 123.306 0.194 1
1 70 . 19 1 1 A 10 10 SER H H 10 8.850 8.852 -0.002 1
1 71 . 19 1 1 A 10 10 SER HA H 10 5.030 4.749 0.281 1
1 74 . 19 1 1 A 10 10 SER CA C 10 57.000 58.047 -1.047 1
1 75 . 19 1 1 A 10 10 SER CB C 10 63.900 63.890 0.010 1
1 76 . 19 1 1 A 10 10 SER N N 10 121.800 123.878 -2.078 1
1 77 . 19 1 1 A 11 11 LEU H H 11 8.820 9.101 -0.281 1
1 78 . 19 1 1 A 11 11 LEU HA H 11 4.460 4.429 0.031 1
1 88 . 19 1 1 A 11 11 LEU CA C 11 54.400 54.936 -0.536 1
1 89 . 19 1 1 A 11 11 LEU CB C 11 41.900 43.010 -1.110 1
1 93 . 19 1 1 A 11 11 LEU N N 11 127.300 126.718 0.582 1
1 94 . 19 1 1 A 12 12 GLY H H 12 8.140 7.876 0.264 1
1 95 . 19 1 1 A 12 12 GLY HA2 H 12 3.720 4.049 -0.329 1
1 96 . 19 1 1 A 12 12 GLY HA3 H 12 4.080 4.063 0.017 1
1 97 . 19 1 1 A 12 12 GLY CA C 12 44.700 44.590 0.110 1
1 98 . 19 1 1 A 12 12 GLY N N 12 108.000 106.056 1.944 1
1 99 . 19 1 1 A 13 13 GLU H H 13 8.210 8.362 -0.152 1
1 100 . 19 1 1 A 13 13 GLU HA H 13 4.560 5.272 -0.712 1
1 105 . 19 1 1 A 13 13 GLU CA C 13 55.700 55.434 0.266 1
1 106 . 19 1 1 A 13 13 GLU CB C 13 30.300 30.460 -0.160 1
1 108 . 19 1 1 A 13 13 GLU N N 13 119.000 120.213 -1.213 1
1 109 . 19 1 1 A 14 14 LEU H H 14 9.360 9.360 0.000 1
1 110 . 19 1 1 A 14 14 LEU HA H 14 4.720 4.947 -0.227 1
1 120 . 19 1 1 A 14 14 LEU CA C 14 53.400 53.679 -0.279 1
1 121 . 19 1 1 A 14 14 LEU CB C 14 44.200 43.921 0.279 1
1 125 . 19 1 1 A 14 14 LEU N N 14 126.700 126.853 -0.153 1
1 126 . 19 1 1 A 15 15 GLU H H 15 8.680 8.765 -0.085 1
1 127 . 19 1 1 A 15 15 GLU HA H 15 4.240 5.032 -0.792 1
1 132 . 19 1 1 A 15 15 GLU CA C 15 56.900 55.198 1.702 1
1 133 . 19 1 1 A 15 15 GLU CB C 15 29.900 31.599 -1.699 1
1 135 . 19 1 1 A 15 15 GLU N N 15 120.600 121.998 -1.398 1
1 136 . 19 1 1 A 16 16 LEU H H 16 7.740 8.954 -1.214 1
1 137 . 19 1 1 A 16 16 LEU HA H 16 4.360 4.836 -0.476 1
1 147 . 19 1 1 A 16 16 LEU CA C 16 54.000 54.329 -0.329 1
1 148 . 19 1 1 A 16 16 LEU CB C 16 43.300 44.340 -1.040 1
1 152 . 19 1 1 A 16 16 LEU N N 16 125.200 125.666 -0.466 1
1 153 . 19 1 1 A 17 17 THR H H 17 8.500 9.040 -0.540 1
1 154 . 19 1 1 A 17 17 THR HA H 17 4.420 5.040 -0.620 1
1 159 . 19 1 1 A 17 17 THR CA C 17 63.100 62.064 1.036 1
1 160 . 19 1 1 A 17 17 THR CB C 17 69.600 70.121 -0.521 1
1 162 . 19 1 1 A 17 17 THR N N 17 127.300 122.068 5.232 1
1 163 . 19 1 1 A 18 18 VAL H H 18 8.840 9.233 -0.393 1
1 164 . 19 1 1 A 18 18 VAL HA H 18 4.490 4.772 -0.282 1
1 172 . 19 1 1 A 18 18 VAL CA C 18 61.100 61.188 -0.088 1
1 173 . 19 1 1 A 18 18 VAL CB C 18 33.300 33.446 -0.146 1
1 176 . 19 1 1 A 18 18 VAL N N 18 127.000 127.661 -0.661 1
1 177 . 19 1 1 A 19 19 LEU H H 19 8.830 9.608 -0.778 1
1 178 . 19 1 1 A 19 19 LEU HA H 19 4.920 4.861 0.059 1
1 188 . 19 1 1 A 19 19 LEU CA C 19 53.400 53.255 0.145 1
1 189 . 19 1 1 A 19 19 LEU CB C 19 41.200 42.252 -1.052 1
1 193 . 19 1 1 A 19 19 LEU N N 19 128.500 128.160 0.340 1
1 194 . 19 1 1 A 20 20 TYR H H 20 8.470 8.973 -0.503 1
1 195 . 19 1 1 A 20 20 TYR HA H 20 4.280 4.928 -0.648 1
1 202 . 19 1 1 A 20 20 TYR CA C 20 55.600 56.982 -1.382 1
1 203 . 19 1 1 A 20 20 TYR CB C 20 38.200 40.493 -2.293 1
1 206 . 19 1 1 A 20 20 TYR N N 20 120.300 118.545 1.755 1
1 207 . 19 1 1 A 21 21 ASP H H 21 8.920 7.953 0.967 1
1 208 . 19 1 1 A 21 21 ASP HA H 21 4.640 4.439 0.201 1
1 211 . 19 1 1 A 21 21 ASP CA C 21 53.000 54.742 -1.742 1
1 212 . 19 1 1 A 21 21 ASP CB C 21 39.300 40.293 -0.993 1
1 213 . 19 1 1 A 21 21 ASP N N 21 118.600 120.237 -1.637 1
1 214 . 19 1 1 A 22 22 GLU H H 22 7.930 8.636 -0.706 1
1 215 . 19 1 1 A 22 22 GLU HA H 22 4.250 4.697 -0.447 1
1 220 . 19 1 1 A 22 22 GLU CA C 22 57.000 55.990 1.010 1
1 221 . 19 1 1 A 22 22 GLU CB C 22 29.000 30.587 -1.587 1
1 223 . 19 1 1 A 22 22 GLU N N 22 126.600 120.178 6.422 1
1 224 . 19 1 1 A 23 23 GLU H H 23 8.060 8.140 -0.080 1
1 225 . 19 1 1 A 23 23 GLU HA H 23 4.130 4.220 -0.090 1
1 230 . 19 1 1 A 23 23 GLU CA C 23 57.800 58.725 -0.925 1
1 231 . 19 1 1 A 23 23 GLU CB C 23 29.500 29.891 -0.391 1
1 233 . 19 1 1 A 23 23 GLU N N 23 117.800 120.683 -2.883 1
1 234 . 19 1 1 A 24 24 ARG H H 24 7.070 8.306 -1.236 1
1 235 . 19 1 1 A 24 24 ARG HA H 24 4.170 4.423 -0.253 1
1 243 . 19 1 1 A 24 24 ARG CA C 24 56.500 55.387 1.113 1
1 244 . 19 1 1 A 24 24 ARG CB C 24 33.500 31.767 1.733 1
1 247 . 19 1 1 A 24 24 ARG N N 24 116.700 116.513 0.187 1
1 249 . 19 1 1 A 25 25 TYR H H 25 8.150 7.784 0.366 1
1 250 . 19 1 1 A 25 25 TYR HA H 25 5.470 5.345 0.125 1
1 257 . 19 1 1 A 25 25 TYR CA C 25 56.900 56.720 0.180 1
1 258 . 19 1 1 A 25 25 TYR CB C 25 43.100 42.990 0.110 1
1 261 . 19 1 1 A 25 25 TYR N N 25 116.800 118.988 -2.188 1
1 262 . 19 1 1 A 26 26 ASP H H 26 9.120 8.617 0.503 1
1 263 . 19 1 1 A 26 26 ASP HA H 26 5.250 5.313 -0.063 1
1 266 . 19 1 1 A 26 26 ASP CA C 26 52.400 52.911 -0.511 1
1 267 . 19 1 1 A 26 26 ASP CB C 26 44.500 45.420 -0.920 1
1 268 . 19 1 1 A 26 26 ASP N N 26 116.900 120.195 -3.295 1
1 269 . 19 1 1 A 27 27 ILE H H 27 8.640 8.699 -0.059 1
1 270 . 19 1 1 A 27 27 ILE HA H 27 4.100 4.130 -0.030 1
1 280 . 19 1 1 A 27 27 ILE CA C 27 61.400 61.239 0.161 1
1 281 . 19 1 1 A 27 27 ILE CB C 27 38.600 36.770 1.830 1
1 285 . 19 1 1 A 27 27 ILE N N 27 121.200 124.271 -3.071 1
1 286 . 19 1 1 A 28 28 VAL H H 28 8.840 9.201 -0.361 1
1 287 . 19 1 1 A 28 28 VAL HA H 28 3.930 3.981 -0.051 1
1 295 . 19 1 1 A 28 28 VAL CA C 28 63.800 64.087 -0.287 1
1 296 . 19 1 1 A 28 28 VAL CB C 28 32.900 32.426 0.474 1
1 299 . 19 1 1 A 28 28 VAL N N 28 128.700 128.939 -0.239 1
1 300 . 19 1 1 A 29 29 GLU H H 29 7.180 7.694 -0.514 1
1 301 . 19 1 1 A 29 29 GLU HA H 29 4.490 4.689 -0.199 1
1 306 . 19 1 1 A 29 29 GLU CA C 29 55.200 55.056 0.144 1
1 307 . 19 1 1 A 29 29 GLU CB C 29 32.900 32.838 0.062 1
1 309 . 19 1 1 A 29 29 GLU N N 29 116.000 115.443 0.557 1
1 310 . 19 1 1 A 30 30 GLN H H 30 8.760 8.697 0.063 1
1 311 . 19 1 1 A 30 30 GLN HA H 30 5.450 4.805 0.645 1
1 314 . 19 1 1 A 30 30 GLN CA C 30 54.200 54.881 -0.681 1
1 315 . 19 1 1 A 30 30 GLN CB C 30 33.100 30.936 2.164 1
1 316 . 19 1 1 A 30 30 GLN N N 30 117.200 118.245 -1.045 1
1 317 . 19 1 1 A 31 31 THR H H 31 8.200 8.463 -0.263 1
1 318 . 19 1 1 A 31 31 THR HA H 31 4.160 4.691 -0.531 1
1 323 . 19 1 1 A 31 31 THR CA C 31 64.500 60.517 3.983 1
1 324 . 19 1 1 A 31 31 THR CB C 31 70.300 69.801 0.499 1
1 326 . 19 1 1 A 31 31 THR N N 31 119.400 113.960 5.440 1
1 327 . 19 1 1 A 32 32 GLU H H 32 9.230 8.802 0.428 1
1 328 . 19 1 1 A 32 32 GLU HA H 32 4.170 4.215 -0.045 1
1 333 . 19 1 1 A 32 32 GLU CA C 32 60.000 59.307 0.693 1
1 334 . 19 1 1 A 32 32 GLU CB C 32 31.000 30.468 0.532 1
1 336 . 19 1 1 A 32 32 GLU N N 32 129.600 128.809 0.791 1
1 337 . 19 1 1 A 33 33 THR H H 33 7.510 8.153 -0.643 1
1 338 . 19 1 1 A 33 33 THR HA H 33 5.320 5.362 -0.042 1
1 343 . 19 1 1 A 33 33 THR CA C 33 58.500 59.977 -1.477 1
1 344 . 19 1 1 A 33 33 THR CB C 33 73.100 72.107 0.993 1
1 346 . 19 1 1 A 33 33 THR N N 33 107.500 111.255 -3.755 1
1 347 . 19 1 1 A 34 34 VAL H H 34 8.700 9.393 -0.693 1
1 348 . 19 1 1 A 34 34 VAL HA H 34 4.670 4.960 -0.290 1
1 356 . 19 1 1 A 34 34 VAL CA C 34 59.200 59.033 0.167 1
1 357 . 19 1 1 A 34 34 VAL CB C 34 35.200 35.804 -0.604 1
1 360 . 19 1 1 A 34 34 VAL N N 34 112.000 118.362 -6.362 1
1 361 . 19 1 1 A 35 35 GLN H H 35 8.930 8.535 0.395 1
1 362 . 19 1 1 A 35 35 GLN HA H 35 4.790 5.061 -0.271 1
1 369 . 19 1 1 A 35 35 GLN CA C 35 54.800 55.344 -0.544 1
1 370 . 19 1 1 A 35 35 GLN CB C 35 29.900 30.175 -0.275 1
1 372 . 19 1 1 A 35 35 GLN N N 35 123.200 121.848 1.352 1
1 374 . 19 1 1 A 36 36 VAL H H 36 7.940 8.531 -0.591 1
1 375 . 19 1 1 A 36 36 VAL HA H 36 4.850 5.158 -0.308 1
1 383 . 19 1 1 A 36 36 VAL CA C 36 61.300 61.120 0.180 1
1 384 . 19 1 1 A 36 36 VAL CB C 36 34.200 34.288 -0.088 1
1 387 . 19 1 1 A 36 36 VAL N N 36 124.300 124.362 -0.062 1
1 388 . 19 1 1 A 37 37 ASP H H 37 8.670 9.277 -0.607 1
1 389 . 19 1 1 A 37 37 ASP HA H 37 5.240 5.319 -0.079 1
1 392 . 19 1 1 A 37 37 ASP CA C 37 53.000 52.641 0.359 1
1 393 . 19 1 1 A 37 37 ASP CB C 37 44.700 44.272 0.428 1
1 394 . 19 1 1 A 37 37 ASP N N 37 126.900 126.310 0.590 1
1 395 . 19 1 1 A 38 38 LEU H H 38 8.850 9.332 -0.482 1
1 396 . 19 1 1 A 38 38 LEU HA H 38 5.160 5.519 -0.359 1
1 406 . 19 1 1 A 38 38 LEU CA C 38 52.400 53.247 -0.847 1
1 407 . 19 1 1 A 38 38 LEU CB C 38 46.100 45.067 1.033 1
1 411 . 19 1 1 A 38 38 LEU N N 38 119.100 122.615 -3.515 1
1 412 . 19 1 1 A 39 39 GLU H H 39 8.380 8.694 -0.314 1
1 413 . 19 1 1 A 39 39 GLU HA H 39 5.210 5.233 -0.023 1
1 418 . 19 1 1 A 39 39 GLU CA C 39 54.600 54.637 -0.037 1
1 419 . 19 1 1 A 39 39 GLU CB C 39 33.900 33.250 0.650 1
1 421 . 19 1 1 A 39 39 GLU N N 39 120.800 120.411 0.389 1
1 422 . 19 1 1 A 40 40 GLY H H 40 8.110 8.219 -0.109 1
1 423 . 19 1 1 A 40 40 GLY HA2 H 40 4.230 4.194 0.036 1
1 424 . 19 1 1 A 40 40 GLY HA3 H 40 3.730 4.240 -0.510 1
1 425 . 19 1 1 A 40 40 GLY CA C 40 45.000 44.453 0.547 1
1 426 . 19 1 1 A 40 40 GLY N N 40 110.000 108.824 1.176 1
1 427 . 19 1 1 A 41 41 PRO HA H 41 4.380 4.662 -0.282 1
1 434 . 19 1 1 A 41 41 PRO CA C 41 62.200 63.021 -0.821 1
1 435 . 19 1 1 A 41 41 PRO CB C 41 32.400 31.757 0.643 1
1 438 . 19 1 1 A 42 42 ARG H H 42 9.020 8.577 0.443 1
1 439 . 19 1 1 A 42 42 ARG HA H 42 3.790 3.964 -0.174 1
1 446 . 19 1 1 A 42 42 ARG CA C 42 60.400 58.841 1.559 1
1 447 . 19 1 1 A 42 42 ARG CB C 42 29.900 29.686 0.214 1
1 450 . 19 1 1 A 42 42 ARG N N 42 125.500 122.995 2.505 1
1 451 . 19 1 1 A 43 43 GLY H H 43 9.310 8.418 0.892 1
1 452 . 19 1 1 A 43 43 GLY HA2 H 43 3.890 3.796 0.094 1
1 453 . 19 1 1 A 43 43 GLY HA3 H 43 3.890 3.800 0.090 1
1 454 . 19 1 1 A 43 43 GLY CA C 43 47.000 47.493 -0.493 1
1 455 . 19 1 1 A 43 43 GLY N N 43 107.200 108.530 -1.330 1
1 456 . 19 1 1 A 44 44 VAL H H 44 6.930 8.076 -1.146 1
1 457 . 19 1 1 A 44 44 VAL HA H 44 3.800 3.811 -0.011 1
1 465 . 19 1 1 A 44 44 VAL CA C 44 65.100 65.966 -0.866 1
1 466 . 19 1 1 A 44 44 VAL CB C 44 32.000 31.962 0.038 1
1 469 . 19 1 1 A 44 44 VAL N N 44 121.100 122.467 -1.367 1
1 470 . 19 1 1 A 45 45 LEU H H 45 7.830 7.930 -0.100 1
1 471 . 19 1 1 A 45 45 LEU HA H 45 3.890 3.876 0.014 1
1 481 . 19 1 1 A 45 45 LEU CA C 45 58.100 58.063 0.037 1
1 482 . 19 1 1 A 45 45 LEU CB C 45 41.800 41.333 0.467 1
1 486 . 19 1 1 A 45 45 LEU N N 45 120.700 119.430 1.270 1
1 487 . 19 1 1 A 46 46 THR H H 46 8.340 8.314 0.026 1
1 488 . 19 1 1 A 46 46 THR HA H 46 3.850 3.787 0.063 1
1 493 . 19 1 1 A 46 46 THR CA C 46 66.800 66.702 0.098 1
1 494 . 19 1 1 A 46 46 THR CB C 46 68.800 68.056 0.744 1
1 496 . 19 1 1 A 46 46 THR N N 46 114.900 116.111 -1.211 1
1 497 . 19 1 1 A 47 47 VAL H H 47 7.210 7.752 -0.542 1
1 498 . 19 1 1 A 47 47 VAL HA H 47 3.820 3.992 -0.172 1
1 506 . 19 1 1 A 47 47 VAL CA C 47 65.600 66.839 -1.239 1
1 507 . 19 1 1 A 47 47 VAL CB C 47 31.900 31.657 0.243 1
1 510 . 19 1 1 A 47 47 VAL N N 47 119.600 121.282 -1.682 1
1 511 . 19 1 1 A 48 48 PHE H H 48 8.140 8.582 -0.442 1
1 512 . 19 1 1 A 48 48 PHE HA H 48 4.210 4.106 0.104 1
1 520 . 19 1 1 A 48 48 PHE CA C 48 61.100 61.247 -0.147 1
1 521 . 19 1 1 A 48 48 PHE CB C 48 39.200 39.060 0.140 1
1 525 . 19 1 1 A 48 48 PHE N N 48 120.600 120.339 0.261 1
1 526 . 19 1 1 A 49 49 ARG H H 49 8.150 8.281 -0.131 1
1 527 . 19 1 1 A 49 49 ARG HA H 49 3.710 4.010 -0.300 1
1 534 . 19 1 1 A 49 49 ARG CA C 49 58.500 59.339 -0.839 1
1 535 . 19 1 1 A 49 49 ARG CB C 49 30.000 29.659 0.341 1
1 538 . 19 1 1 A 49 49 ARG N N 49 117.500 118.520 -1.020 1
1 539 . 19 1 1 A 50 50 PHE H H 50 7.270 7.328 -0.058 1
1 540 . 19 1 1 A 50 50 PHE HA H 50 4.620 4.234 0.386 1
1 548 . 19 1 1 A 50 50 PHE CA C 50 57.700 59.973 -2.273 1
1 549 . 19 1 1 A 50 50 PHE CB C 50 39.600 39.389 0.211 1
1 553 . 19 1 1 A 50 50 PHE N N 50 115.500 116.024 -0.524 1
1 554 . 19 1 1 A 51 51 ALA H H 51 7.620 7.259 0.361 1
1 555 . 19 1 1 A 51 51 ALA HA H 51 4.320 4.363 -0.043 1
1 559 . 19 1 1 A 51 51 ALA CA C 51 51.700 51.762 -0.062 1
1 560 . 19 1 1 A 51 51 ALA CB C 51 19.300 19.795 -0.495 1
1 561 . 19 1 1 A 51 51 ALA N N 51 124.200 121.352 2.848 1
1 562 . 19 1 1 A 52 52 ARG H H 52 8.570 8.425 0.145 1
1 563 . 19 1 1 A 52 52 ARG HA H 52 4.270 4.443 -0.173 1
1 570 . 19 1 1 A 52 52 ARG CA C 52 54.700 54.520 0.180 1
1 571 . 19 1 1 A 52 52 ARG CB C 52 29.300 29.447 -0.147 1
1 574 . 19 1 1 A 52 52 ARG N N 52 123.500 120.594 2.906 1
1 575 . 19 1 1 A 53 53 PRO HA H 53 4.240 3.600 0.640 1
1 582 . 19 1 1 A 53 53 PRO CA C 53 63.600 62.950 0.650 1
1 583 . 19 1 1 A 53 53 PRO CB C 53 31.600 31.736 -0.136 1
1 586 . 19 1 1 A 54 54 SER H H 54 8.100 8.401 -0.301 1
1 587 . 19 1 1 A 54 54 SER HA H 54 4.390 4.639 -0.249 1
1 590 . 19 1 1 A 54 54 SER CA C 54 57.200 57.630 -0.430 1
1 591 . 19 1 1 A 54 54 SER CB C 54 63.100 64.620 -1.520 1
1 592 . 19 1 1 A 54 54 SER N N 54 117.200 116.510 0.690 1
1 593 . 19 1 1 A 55 55 TYR H H 55 6.640 6.779 -0.139 1
1 594 . 19 1 1 A 55 55 TYR HA H 55 5.030 5.436 -0.406 1
1 601 . 19 1 1 A 55 55 TYR CA C 55 53.900 55.401 -1.501 1
1 602 . 19 1 1 A 55 55 TYR CB C 55 39.200 42.231 -3.031 1
1 605 . 19 1 1 A 55 55 TYR N N 55 119.200 117.467 1.733 1
1 606 . 19 1 1 A 56 56 GLU H H 56 8.890 9.392 -0.502 1
1 607 . 19 1 1 A 56 56 GLU HA H 56 4.740 5.084 -0.344 1
1 612 . 19 1 1 A 56 56 GLU CA C 56 55.700 55.448 0.252 1
1 613 . 19 1 1 A 56 56 GLU CB C 56 35.000 33.940 1.060 1
1 615 . 19 1 1 A 56 56 GLU N N 56 118.800 120.665 -1.865 1
1 616 . 19 1 1 A 57 57 VAL H H 57 8.830 8.792 0.038 1
1 617 . 19 1 1 A 57 57 VAL HA H 57 5.370 5.045 0.325 1
1 625 . 19 1 1 A 57 57 VAL CA C 57 59.900 61.409 -1.509 1
1 626 . 19 1 1 A 57 57 VAL CB C 57 33.300 33.961 -0.661 1
1 629 . 19 1 1 A 57 57 VAL N N 57 117.800 125.738 -7.938 1
1 630 . 19 1 1 A 58 58 PHE H H 58 8.870 8.173 0.697 1
1 631 . 19 1 1 A 58 58 PHE HA H 58 6.090 6.002 0.088 1
1 634 . 19 1 1 A 58 58 PHE CA C 58 55.600 55.887 -0.287 1
1 635 . 19 1 1 A 58 58 PHE CB C 58 42.700 42.109 0.591 1
1 636 . 19 1 1 A 58 58 PHE N N 58 120.600 123.087 -2.487 1
1 637 . 19 1 1 A 59 59 VAL H H 59 8.270 8.634 -0.364 1
1 638 . 19 1 1 A 59 59 VAL HA H 59 4.730 4.811 -0.081 1
1 646 . 19 1 1 A 59 59 VAL CA C 59 58.500 60.444 -1.944 1
1 647 . 19 1 1 A 59 59 VAL CB C 59 34.800 34.907 -0.107 1
1 650 . 19 1 1 A 59 59 VAL N N 59 108.700 120.526 -11.826 1
1 651 . 19 1 1 A 60 60 ASP H H 60 9.360 8.922 0.438 1
1 652 . 19 1 1 A 60 60 ASP HA H 60 5.080 5.198 -0.118 1
1 655 . 19 1 1 A 60 60 ASP CA C 60 52.700 52.938 -0.238 1
1 656 . 19 1 1 A 60 60 ASP CB C 60 41.100 42.908 -1.808 1
1 657 . 19 1 1 A 60 60 ASP N N 60 123.000 127.480 -4.480 1
1 658 . 19 1 1 A 61 61 LEU H H 61 9.230 8.723 0.507 1
1 659 . 19 1 1 A 61 61 LEU HA H 61 4.670 4.799 -0.129 1
1 669 . 19 1 1 A 61 61 LEU CA C 61 53.300 53.917 -0.617 1
1 670 . 19 1 1 A 61 61 LEU CB C 61 40.900 42.961 -2.061 1
1 674 . 19 1 1 A 61 61 LEU N N 61 128.600 127.681 0.919 1
1 675 . 19 1 1 A 62 62 THR H H 62 8.720 7.821 0.899 1
1 676 . 19 1 1 A 62 62 THR HA H 62 3.590 4.103 -0.513 1
1 681 . 19 1 1 A 62 62 THR CA C 62 67.000 65.026 1.974 1
1 682 . 19 1 1 A 62 62 THR CB C 62 69.100 68.722 0.378 1
1 684 . 19 1 1 A 62 62 THR N N 62 115.800 114.018 1.782 1
1 685 . 19 1 1 A 63 63 GLU H H 63 8.490 7.715 0.775 1
1 686 . 19 1 1 A 63 63 GLU HA H 63 4.530 4.468 0.062 1
1 691 . 19 1 1 A 63 63 GLU CA C 63 55.100 56.045 -0.945 1
1 692 . 19 1 1 A 63 63 GLU CB C 63 29.200 30.284 -1.084 1
1 694 . 19 1 1 A 63 63 GLU N N 63 118.800 120.145 -1.345 1
1 695 . 19 1 1 A 64 64 ALA H H 64 7.100 7.279 -0.179 1
1 696 . 19 1 1 A 64 64 ALA HA H 64 4.130 4.224 -0.094 1
1 700 . 19 1 1 A 64 64 ALA CA C 64 51.500 51.135 0.365 1
1 701 . 19 1 1 A 64 64 ALA CB C 64 20.900 19.394 1.506 1
1 702 . 19 1 1 A 64 64 ALA N N 64 123.700 123.675 0.025 1
1 703 . 19 1 1 A 65 65 GLY H H 65 7.800 8.894 -1.094 1
1 704 . 19 1 1 A 65 65 GLY HA2 H 65 4.180 3.755 0.425 1
1 705 . 19 1 1 A 65 65 GLY HA3 H 65 3.540 4.086 -0.546 1
1 706 . 19 1 1 A 65 65 GLY CA C 65 42.600 45.184 -2.584 1
1 707 . 19 1 1 A 65 65 GLY N N 65 106.800 111.298 -4.498 1
1 708 . 19 1 1 A 66 66 GLU H H 66 8.490 8.179 0.311 1
1 709 . 19 1 1 A 66 66 GLU HA H 66 3.750 4.660 -0.910 1
1 714 . 19 1 1 A 66 66 GLU CA C 66 57.400 55.538 1.862 1
1 715 . 19 1 1 A 66 66 GLU CB C 66 30.300 33.132 -2.832 1
1 717 . 19 1 1 A 66 66 GLU N N 66 119.900 123.364 -3.464 1
1 718 . 19 1 1 A 67 67 GLY H H 67 8.470 8.799 -0.329 1
1 719 . 19 1 1 A 67 67 GLY HA2 H 67 3.770 4.141 -0.371 1
1 720 . 19 1 1 A 67 67 GLY HA3 H 67 4.390 4.165 0.225 1
1 721 . 19 1 1 A 67 67 GLY CA C 67 43.400 44.595 -1.195 1
1 722 . 19 1 1 A 67 67 GLY N N 67 110.800 110.669 0.131 1
1 723 . 19 1 1 A 68 68 SER H H 68 8.250 8.320 -0.070 1
1 724 . 19 1 1 A 68 68 SER HA H 68 4.610 4.634 -0.024 1
1 727 . 19 1 1 A 68 68 SER CA C 68 57.700 58.676 -0.976 1
1 728 . 19 1 1 A 68 68 SER CB C 68 63.300 63.782 -0.482 1
1 729 . 19 1 1 A 68 68 SER N N 68 114.500 116.882 -2.382 1
1 730 . 19 1 1 A 69 69 HIS H H 69 8.780 7.862 0.918 1
1 731 . 19 1 1 A 69 69 HIS HA H 69 4.790 5.736 -0.946 1
1 734 . 19 1 1 A 69 69 HIS CA C 69 55.300 53.876 1.424 1
1 735 . 19 1 1 A 69 69 HIS CB C 69 33.900 33.395 0.505 1
1 736 . 19 1 1 A 69 69 HIS N N 69 125.400 120.330 5.070 1
1 737 . 19 1 1 A 70 70 THR H H 70 8.870 8.889 -0.019 1
1 738 . 19 1 1 A 70 70 THR HA H 70 5.380 5.263 0.117 1
1 743 . 19 1 1 A 70 70 THR CA C 70 61.600 61.625 -0.025 1
1 744 . 19 1 1 A 70 70 THR CB C 70 69.400 70.290 -0.890 1
1 746 . 19 1 1 A 70 70 THR N N 70 121.200 117.505 3.695 1
1 747 . 19 1 1 A 71 71 VAL H H 71 8.860 9.126 -0.266 1
1 748 . 19 1 1 A 71 71 VAL HA H 71 4.730 4.971 -0.241 1
1 756 . 19 1 1 A 71 71 VAL CA C 71 58.900 58.838 0.062 1
1 757 . 19 1 1 A 71 71 VAL CB C 71 36.000 35.975 0.025 1
1 760 . 19 1 1 A 71 71 VAL N N 71 122.100 119.780 2.320 1
1 761 . 19 1 1 A 72 72 ASP H H 72 8.610 8.373 0.237 1
1 762 . 19 1 1 A 72 72 ASP HA H 72 4.660 4.696 -0.036 1
1 765 . 19 1 1 A 72 72 ASP CA C 72 55.500 54.133 1.367 1
1 766 . 19 1 1 A 72 72 ASP CB C 72 40.800 41.656 -0.856 1
1 767 . 19 1 1 A 72 72 ASP N N 72 124.300 122.977 1.323 1
1 768 . 19 1 1 A 73 73 VAL H H 73 8.090 8.753 -0.663 1
1 769 . 19 1 1 A 73 73 VAL HA H 73 3.770 4.216 -0.446 1
1 777 . 19 1 1 A 73 73 VAL CA C 73 63.600 62.035 1.565 1
1 778 . 19 1 1 A 73 73 VAL CB C 73 31.600 32.152 -0.552 1
1 781 . 19 1 1 A 73 73 VAL N N 73 121.400 125.383 -3.983 1
1 782 . 19 1 1 A 74 74 GLU H H 74 8.900 8.647 0.253 1
1 783 . 19 1 1 A 74 74 GLU HA H 74 4.370 4.520 -0.150 1
1 788 . 19 1 1 A 74 74 GLU CA C 74 54.700 55.154 -0.454 1
1 789 . 19 1 1 A 74 74 GLU CB C 74 33.300 31.794 1.506 1
1 791 . 19 1 1 A 74 74 GLU N N 74 129.600 126.999 2.601 1
1 792 . 19 1 1 A 75 75 HIS H H 75 7.940 8.294 -0.354 1
1 793 . 19 1 1 A 75 75 HIS HA H 75 5.830 5.562 0.268 1
1 796 . 19 1 1 A 75 75 HIS CA C 75 54.100 53.475 0.625 1
1 797 . 19 1 1 A 75 75 HIS CB C 75 39.500 33.313 6.187 1
1 798 . 19 1 1 A 75 75 HIS N N 75 112.800 117.277 -4.477 1
1 799 . 19 1 1 A 76 76 ARG H H 76 9.210 9.123 0.087 1
1 800 . 19 1 1 A 76 76 ARG HA H 76 5.170 4.828 0.342 1
1 805 . 19 1 1 A 76 76 ARG CA C 76 55.300 54.802 0.498 1
1 806 . 19 1 1 A 76 76 ARG CB C 76 33.400 34.344 -0.944 1
1 808 . 19 1 1 A 76 76 ARG N N 76 117.100 119.650 -2.550 1
1 809 . 19 1 1 A 77 77 GLY H H 77 8.740 8.257 0.483 1
1 810 . 19 1 1 A 77 77 GLY HA2 H 77 4.410 4.096 0.314 1
1 811 . 19 1 1 A 77 77 GLY HA3 H 77 3.670 4.189 -0.519 1
1 812 . 19 1 1 A 77 77 GLY CA C 77 45.400 46.230 -0.830 1
1 813 . 19 1 1 A 77 77 GLY N N 77 107.400 111.231 -3.831 1
1 814 . 19 1 1 A 78 78 PHE H H 78 7.920 8.068 -0.148 1
1 815 . 19 1 1 A 78 78 PHE HA H 78 4.450 4.729 -0.279 1
1 823 . 19 1 1 A 78 78 PHE CA C 78 54.200 55.646 -1.446 1
1 824 . 19 1 1 A 78 78 PHE CB C 78 41.000 39.226 1.774 1
1 828 . 19 1 1 A 78 78 PHE N N 78 120.200 122.823 -2.623 1
1 829 . 19 1 1 A 79 79 PRO HA H 79 4.470 4.721 -0.251 1
1 836 . 19 1 1 A 79 79 PRO CA C 79 63.300 62.112 1.188 1
1 837 . 19 1 1 A 79 79 PRO CB C 79 32.200 32.731 -0.531 1
1 840 . 19 1 1 A 80 80 GLY H H 80 8.820 8.699 0.121 1
1 841 . 19 1 1 A 80 80 GLY HA2 H 80 4.020 3.962 0.058 1
1 842 . 19 1 1 A 80 80 GLY HA3 H 80 3.890 3.991 -0.101 1
1 843 . 19 1 1 A 80 80 GLY CA C 80 46.600 46.398 0.202 1
1 844 . 19 1 1 A 80 80 GLY N N 80 110.100 108.025 2.075 1
1 845 . 19 1 1 A 81 81 ASP H H 81 8.360 7.946 0.414 1
1 846 . 19 1 1 A 81 81 ASP HA H 81 4.560 4.503 0.057 1
1 849 . 19 1 1 A 81 81 ASP CA C 81 53.800 56.505 -2.705 1
1 850 . 19 1 1 A 81 81 ASP CB C 81 40.300 41.733 -1.433 1
1 851 . 19 1 1 A 81 81 ASP N N 81 114.800 119.366 -4.566 1
1 852 . 19 1 1 A 82 82 LEU H H 82 7.400 7.626 -0.226 1
1 853 . 19 1 1 A 82 82 LEU HA H 82 4.720 4.603 0.117 1
1 863 . 19 1 1 A 82 82 LEU CA C 82 52.800 53.821 -1.021 1
1 864 . 19 1 1 A 82 82 LEU CB C 82 42.900 42.735 0.165 1
1 868 . 19 1 1 A 82 82 LEU N N 82 115.500 119.112 -3.612 1
1 869 . 19 1 1 A 83 83 ALA H H 83 8.930 8.778 0.152 1
1 870 . 19 1 1 A 83 83 ALA HA H 83 4.530 4.607 -0.077 1
1 874 . 19 1 1 A 83 83 ALA CA C 83 50.900 51.406 -0.506 1
1 875 . 19 1 1 A 83 83 ALA CB C 83 19.600 19.243 0.357 1
1 876 . 19 1 1 A 83 83 ALA N N 83 124.900 123.936 0.964 1
1 877 . 19 1 1 A 84 84 VAL H H 84 8.570 8.923 -0.353 1
1 878 . 19 1 1 A 84 84 VAL HA H 84 3.930 4.474 -0.544 1
1 886 . 19 1 1 A 84 84 VAL CA C 84 61.300 61.814 -0.514 1
1 887 . 19 1 1 A 84 84 VAL CB C 84 32.800 32.043 0.757 1
1 890 . 19 1 1 A 84 84 VAL N N 84 126.800 124.211 2.589 1
1 891 . 19 1 1 A 85 85 THR H H 85 9.000 8.919 0.081 1
1 892 . 19 1 1 A 85 85 THR HA H 85 4.440 4.992 -0.552 1
1 897 . 19 1 1 A 85 85 THR CA C 85 61.900 61.825 0.075 1
1 898 . 19 1 1 A 85 85 THR CB C 85 70.100 70.015 0.085 1
1 900 . 19 1 1 A 85 85 THR N N 85 125.500 124.123 1.377 1
1 901 . 19 1 1 A 86 86 VAL H H 86 8.280 8.984 -0.704 1
1 902 . 19 1 1 A 86 86 VAL HA H 86 5.010 5.267 -0.257 1
1 910 . 19 1 1 A 86 86 VAL CA C 86 59.300 59.657 -0.357 1
1 911 . 19 1 1 A 86 86 VAL CB C 86 33.700 35.342 -1.642 1
1 914 . 19 1 1 A 86 86 VAL N N 86 123.200 124.193 -0.993 1
1 915 . 19 1 1 A 87 87 GLU H H 87 8.560 8.757 -0.197 1
1 916 . 19 1 1 A 87 87 GLU HA H 87 4.720 5.170 -0.450 1
1 921 . 19 1 1 A 87 87 GLU CA C 87 52.400 53.443 -1.043 1
1 922 . 19 1 1 A 87 87 GLU CB C 87 33.600 30.545 3.055 1
1 924 . 19 1 1 A 87 87 GLU N N 87 124.400 121.793 2.607 1
1 925 . 19 1 1 A 88 88 PRO HA H 88 4.770 4.875 -0.105 1
1 932 . 19 1 1 A 88 88 PRO CA C 88 62.800 61.784 1.016 1
1 933 . 19 1 1 A 88 88 PRO CB C 88 34.300 32.460 1.840 1
1 936 . 19 1 1 A 89 89 ARG H H 89 8.200 8.466 -0.266 1
1 937 . 19 1 1 A 89 89 ARG HA H 89 4.050 4.350 -0.300 1
1 945 . 19 1 1 A 89 89 ARG CA C 89 57.300 57.010 0.290 1
1 946 . 19 1 1 A 89 89 ARG CB C 89 30.700 31.207 -0.507 1
1 949 . 19 1 1 A 89 89 ARG N N 89 114.400 119.323 -4.923 1
1 951 . 19 1 1 A 90 90 MET H H 90 7.750 7.623 0.127 1
1 952 . 19 1 1 A 90 90 MET HA H 90 5.060 4.784 0.276 1
1 960 . 19 1 1 A 90 90 MET CA C 90 53.700 54.484 -0.784 1
1 961 . 19 1 1 A 90 90 MET CB C 90 34.700 35.263 -0.563 1
1 964 . 19 1 1 A 90 90 MET N N 90 115.900 118.051 -2.151 1
1 965 . 19 1 1 A 91 91 ALA H H 91 9.020 9.259 -0.239 1
1 966 . 19 1 1 A 91 91 ALA HA H 91 4.640 5.357 -0.717 1
1 970 . 19 1 1 A 91 91 ALA CA C 91 49.300 50.113 -0.813 1
1 971 . 19 1 1 A 91 91 ALA CB C 91 23.600 22.701 0.899 1
1 972 . 19 1 1 A 91 91 ALA N N 91 123.200 129.388 -6.188 1
1 973 . 19 1 1 A 92 92 ARG H H 92 8.370 8.791 -0.421 1
1 974 . 19 1 1 A 92 92 ARG HA H 92 5.480 5.221 0.259 1
1 982 . 19 1 1 A 92 92 ARG CA C 92 54.000 54.636 -0.636 1
1 983 . 19 1 1 A 92 92 ARG CB C 92 32.600 33.084 -0.484 1
1 986 . 19 1 1 A 92 92 ARG N N 92 119.600 119.122 0.478 1
1 988 . 19 1 1 A 93 93 VAL H H 93 8.920 8.295 0.625 1
1 989 . 19 1 1 A 93 93 VAL HA H 93 4.510 4.797 -0.287 1
1 997 . 19 1 1 A 93 93 VAL CA C 93 61.000 59.623 1.377 1
1 998 . 19 1 1 A 93 93 VAL CB C 93 36.900 35.288 1.612 1
1 1001 . 19 1 1 A 93 93 VAL N N 93 124.100 119.973 4.127 1
1 1002 . 19 1 1 A 94 94 GLN H H 94 8.930 9.169 -0.239 1
1 1003 . 19 1 1 A 94 94 GLN HA H 94 5.400 4.706 0.694 1
1 1010 . 19 1 1 A 94 94 GLN CA C 94 53.500 54.436 -0.936 1
1 1011 . 19 1 1 A 94 94 GLN CB C 94 30.300 31.168 -0.868 1
1 1013 . 19 1 1 A 94 94 GLN N N 94 127.900 128.983 -1.083 1
1 1015 . 19 1 1 A 95 95 LEU H H 95 8.870 9.228 -0.358 1
1 1016 . 19 1 1 A 95 95 LEU HA H 95 5.390 5.456 -0.066 1
1 1026 . 19 1 1 A 95 95 LEU CA C 95 53.000 53.389 -0.389 1
1 1027 . 19 1 1 A 95 95 LEU CB C 95 44.800 43.767 1.033 1
1 1031 . 19 1 1 A 95 95 LEU N N 95 126.400 128.614 -2.214 1
1 1032 . 19 1 1 A 96 96 GLU H H 96 9.300 8.821 0.479 1
1 1033 . 19 1 1 A 96 96 GLU HA H 96 5.000 4.955 0.045 1
1 1038 . 19 1 1 A 96 96 GLU CA C 96 54.300 54.771 -0.471 1
1 1039 . 19 1 1 A 96 96 GLU CB C 96 33.800 33.701 0.099 1
1 1041 . 19 1 1 A 96 96 GLU N N 96 122.700 124.772 -2.072 1
1 1042 . 19 1 1 A 97 97 GLU H H 97 9.730 8.650 1.080 1
1 1043 . 19 1 1 A 97 97 GLU HA H 97 4.360 4.353 0.007 1
1 1048 . 19 1 1 A 97 97 GLU CA C 97 57.600 56.685 0.915 1
1 1049 . 19 1 1 A 97 97 GLU CB C 97 30.000 29.500 0.500 1
1 1051 . 19 1 1 A 97 97 GLU N N 97 126.200 126.922 -0.722 1
1 1052 . 19 1 1 A 98 98 ARG H H 98 8.300 8.295 0.005 1
1 1053 . 19 1 1 A 98 98 ARG HA H 98 4.180 4.726 -0.546 1
1 1061 . 19 1 1 A 98 98 ARG CA C 98 56.800 55.374 1.426 1
1 1062 . 19 1 1 A 98 98 ARG CB C 98 30.700 33.829 -3.129 1
1 1065 . 19 1 1 A 98 98 ARG N N 98 126.500 125.894 0.606 1
1 1067 . 19 1 1 A 99 99 GLN H H 99 8.810 8.546 0.264 1
1 1068 . 19 1 1 A 99 99 GLN HA H 99 4.370 5.333 -0.963 1
1 1075 . 19 1 1 A 99 99 GLN CA C 99 55.600 55.279 0.321 1
1 1076 . 19 1 1 A 99 99 GLN CB C 99 29.500 32.465 -2.965 1
1 1078 . 19 1 1 A 99 99 GLN N N 99 123.700 122.486 1.214 1
1 1080 . 19 1 1 A 100 100 THR H H 100 8.340 9.768 -1.428 1
1 1081 . 19 1 1 A 100 100 THR HA H 100 4.330 4.681 -0.351 1
1 1086 . 19 1 1 A 100 100 THR CA C 100 61.700 59.520 2.180 1
1 1087 . 19 1 1 A 100 100 THR CB C 100 69.800 71.023 -1.223 1
1 1089 . 19 1 1 A 100 100 THR N N 100 116.700 121.467 -4.767 1
1 1090 . 19 1 1 A 101 101 VAL H H 101 8.290 8.626 -0.336 1
1 1091 . 19 1 1 A 101 101 VAL HA H 101 4.170 4.149 0.021 1
1 1099 . 19 1 1 A 101 101 VAL CA C 101 61.900 62.790 -0.890 1
1 1100 . 19 1 1 A 101 101 VAL CB C 101 32.800 31.040 1.760 1
1 1103 . 19 1 1 A 101 101 VAL N N 101 122.900 123.506 -0.606 1
1 1104 . 19 1 1 A 102 102 SER H H 102 8.490 8.648 -0.158 1
1 1105 . 19 1 1 A 102 102 SER HA H 102 4.470 4.798 -0.328 1
1 1108 . 19 1 1 A 102 102 SER CA C 102 58.000 57.477 0.523 1
1 1109 . 19 1 1 A 102 102 SER CB C 102 63.600 63.460 0.140 1
1 1110 . 19 1 1 A 102 102 SER N N 102 120.700 123.038 -2.338 1
1 1111 . 19 1 1 A 103 103 VAL H H 103 8.240 8.602 -0.362 1
1 1112 . 19 1 1 A 103 103 VAL HA H 103 4.420 4.527 -0.107 1
1 1120 . 19 1 1 A 103 103 VAL CA C 103 59.700 59.406 0.294 1
1 1121 . 19 1 1 A 103 103 VAL CB C 103 32.700 32.408 0.292 1
1 1124 . 19 1 1 A 103 103 VAL N N 103 123.900 127.601 -3.701 1
1 1125 . 19 1 1 A 104 104 PRO HA H 104 4.420 4.805 -0.385 1
1 1132 . 19 1 1 A 104 104 PRO CA C 104 63.000 62.314 0.686 1
1 1133 . 19 1 1 A 104 104 PRO CB C 104 32.000 31.743 0.257 1
1 1136 . 19 1 1 A 105 105 VAL H H 105 8.340 8.548 -0.208 1
1 1137 . 19 1 1 A 105 105 VAL HA H 105 4.130 4.795 -0.665 1
1 1145 . 19 1 1 A 105 105 VAL CA C 105 62.200 60.615 1.585 1
1 1146 . 19 1 1 A 105 105 VAL CB C 105 32.600 33.984 -1.384 1
1 1149 . 19 1 1 A 105 105 VAL N N 105 121.000 123.292 -2.292 1
1 1150 . 19 1 1 A 106 106 THR H H 106 8.210 8.645 -0.435 1
1 1151 . 19 1 1 A 106 106 THR HA H 106 4.380 4.734 -0.354 1
1 1156 . 19 1 1 A 106 106 THR CA C 106 61.400 60.827 0.573 1
1 1157 . 19 1 1 A 106 106 THR CB C 106 70.000 70.857 -0.857 1
1 1159 . 19 1 1 A 106 106 THR N N 106 118.700 121.790 -3.090 1
1 1160 . 19 1 1 A 107 107 VAL H H 107 8.280 8.810 -0.530 1
1 1161 . 19 1 1 A 107 107 VAL HA H 107 4.050 4.959 -0.909 1
1 1169 . 19 1 1 A 107 107 VAL CA C 107 62.600 59.130 3.470 1
1 1170 . 19 1 1 A 107 107 VAL CB C 107 32.600 35.698 -3.098 1
1 1173 . 19 1 1 A 107 107 VAL N N 107 122.700 120.304 2.396 1
1 1174 . 19 1 1 A 108 108 GLU H H 108 8.500 8.666 -0.166 1
1 1175 . 19 1 1 A 108 108 GLU HA H 108 4.230 4.698 -0.468 1
1 1180 . 19 1 1 A 108 108 GLU CA C 108 56.600 55.763 0.837 1
1 1181 . 19 1 1 A 108 108 GLU CB C 108 30.000 30.138 -0.138 1
1 1183 . 19 1 1 A 108 108 GLU N N 108 124.100 122.565 1.535 1
1 1184 . 19 1 1 A 109 109 MET H H 109 8.570 9.001 -0.431 1
1 1185 . 19 1 1 A 109 109 MET HA H 109 4.460 5.140 -0.680 1
1 1188 . 19 1 1 A 109 109 MET CA C 109 55.300 53.905 1.395 1
1 1189 . 19 1 1 A 109 109 MET CB C 109 26.800 33.364 -6.564 1
1 1190 . 19 1 1 A 109 109 MET N N 109 121.300 125.034 -3.734 1
1 1191 . 19 1 1 A 110 110 ILE H H 110 8.280 8.999 -0.719 1
1 1192 . 19 1 1 A 110 110 ILE HA H 110 4.080 5.225 -1.145 1
1 1202 . 19 1 1 A 110 110 ILE CA C 110 61.400 59.158 2.242 1
1 1203 . 19 1 1 A 110 110 ILE CB C 110 38.700 41.388 -2.688 1
1 1207 . 19 1 1 A 110 110 ILE N N 110 122.600 125.488 -2.888 1
1 1208 . 19 1 1 A 111 111 ASN H H 111 8.590 8.637 -0.047 1
1 1209 . 19 1 1 A 111 111 ASN HA H 111 4.690 5.110 -0.420 1
1 1214 . 19 1 1 A 111 111 ASN CA C 111 53.000 53.002 -0.002 1
1 1215 . 19 1 1 A 111 111 ASN CB C 111 38.600 42.121 -3.521 1
1 1216 . 19 1 1 A 111 111 ASN N N 111 122.800 124.725 -1.925 1
1 1218 . 19 1 1 A 112 112 LEU H H 112 8.340 8.295 0.045 1
1 1219 . 19 1 1 A 112 112 LEU HA H 112 4.240 4.678 -0.438 1
1 1229 . 19 1 1 A 112 112 LEU CA C 112 55.400 54.000 1.400 1
1 1230 . 19 1 1 A 112 112 LEU CB C 112 42.100 42.797 -0.697 1
1 1 . 20 1 1 A 3 3 THR HA H 3 4.250 4.123 0.127 1
1 6 . 20 1 1 A 3 3 THR CA C 3 62.000 62.846 -0.846 1
1 7 . 20 1 1 A 3 3 THR CB C 3 69.700 66.482 3.218 1
1 9 . 20 1 1 A 4 4 PHE H H 4 8.440 8.559 -0.119 1
1 10 . 20 1 1 A 4 4 PHE HA H 4 4.650 4.457 0.193 1
1 17 . 20 1 1 A 4 4 PHE CA C 4 57.700 59.535 -1.835 1
1 18 . 20 1 1 A 4 4 PHE CB C 4 39.400 39.896 -0.496 1
1 21 . 20 1 1 A 4 4 PHE N N 4 122.400 126.761 -4.361 1
1 22 . 20 1 1 A 5 5 ASP H H 5 8.500 8.695 -0.195 1
1 23 . 20 1 1 A 5 5 ASP HA H 5 4.600 4.510 0.090 1
1 26 . 20 1 1 A 5 5 ASP CA C 5 53.900 52.686 1.214 1
1 27 . 20 1 1 A 5 5 ASP CB C 5 40.700 38.831 1.869 1
1 28 . 20 1 1 A 5 5 ASP N N 5 121.800 127.486 -5.686 1
1 29 . 20 1 1 A 6 6 HIS H H 6 8.240 7.646 0.594 1
1 30 . 20 1 1 A 6 6 HIS HA H 6 4.780 5.288 -0.508 1
1 34 . 20 1 1 A 6 6 HIS CA C 6 55.300 54.319 0.981 1
1 35 . 20 1 1 A 6 6 HIS CB C 6 31.500 32.699 -1.199 1
1 37 . 20 1 1 A 6 6 HIS N N 6 120.400 121.253 -0.853 1
1 38 . 20 1 1 A 7 7 GLY H H 7 8.660 8.972 -0.312 1
1 39 . 20 1 1 A 7 7 GLY HA2 H 7 4.500 4.243 0.257 1
1 40 . 20 1 1 A 7 7 GLY HA3 H 7 3.580 4.307 -0.727 1
1 41 . 20 1 1 A 7 7 GLY CA C 7 44.200 45.275 -1.075 1
1 42 . 20 1 1 A 7 7 GLY N N 7 109.200 110.303 -1.103 1
1 43 . 20 1 1 A 8 8 ASN H H 8 8.040 8.768 -0.728 1
1 44 . 20 1 1 A 8 8 ASN HA H 8 5.500 5.842 -0.342 1
1 49 . 20 1 1 A 8 8 ASN CA C 8 52.600 51.730 0.870 1
1 50 . 20 1 1 A 8 8 ASN CB C 8 42.700 42.709 -0.009 1
1 51 . 20 1 1 A 8 8 ASN N N 8 115.100 118.198 -3.098 1
1 53 . 20 1 1 A 9 9 LEU H H 9 8.850 8.865 -0.015 1
1 54 . 20 1 1 A 9 9 LEU HA H 9 4.530 4.672 -0.142 1
1 64 . 20 1 1 A 9 9 LEU CA C 9 54.700 54.366 0.334 1
1 65 . 20 1 1 A 9 9 LEU CB C 9 47.000 45.824 1.176 1
1 69 . 20 1 1 A 9 9 LEU N N 9 123.500 123.724 -0.224 1
1 70 . 20 1 1 A 10 10 SER H H 10 8.850 8.618 0.232 1
1 71 . 20 1 1 A 10 10 SER HA H 10 5.030 4.646 0.384 1
1 74 . 20 1 1 A 10 10 SER CA C 10 57.000 56.130 0.870 1
1 75 . 20 1 1 A 10 10 SER CB C 10 63.900 64.380 -0.480 1
1 76 . 20 1 1 A 10 10 SER N N 10 121.800 121.518 0.282 1
1 77 . 20 1 1 A 11 11 LEU H H 11 8.820 8.672 0.148 1
1 78 . 20 1 1 A 11 11 LEU HA H 11 4.460 4.217 0.243 1
1 88 . 20 1 1 A 11 11 LEU CA C 11 54.400 55.641 -1.241 1
1 89 . 20 1 1 A 11 11 LEU CB C 11 41.900 42.683 -0.783 1
1 93 . 20 1 1 A 11 11 LEU N N 11 127.300 128.151 -0.851 1
1 94 . 20 1 1 A 12 12 GLY H H 12 8.140 7.680 0.460 1
1 95 . 20 1 1 A 12 12 GLY HA2 H 12 3.720 4.049 -0.329 1
1 96 . 20 1 1 A 12 12 GLY HA3 H 12 4.080 4.080 0.000 1
1 97 . 20 1 1 A 12 12 GLY CA C 12 44.700 43.753 0.947 1
1 98 . 20 1 1 A 12 12 GLY N N 12 108.000 105.364 2.636 1
1 99 . 20 1 1 A 13 13 GLU H H 13 8.210 8.452 -0.242 1
1 100 . 20 1 1 A 13 13 GLU HA H 13 4.560 4.714 -0.154 1
1 105 . 20 1 1 A 13 13 GLU CA C 13 55.700 56.204 -0.504 1
1 106 . 20 1 1 A 13 13 GLU CB C 13 30.300 30.177 0.123 1
1 108 . 20 1 1 A 13 13 GLU N N 13 119.000 120.461 -1.461 1
1 109 . 20 1 1 A 14 14 LEU H H 14 9.360 9.327 0.033 1
1 110 . 20 1 1 A 14 14 LEU HA H 14 4.720 5.022 -0.302 1
1 120 . 20 1 1 A 14 14 LEU CA C 14 53.400 53.693 -0.293 1
1 121 . 20 1 1 A 14 14 LEU CB C 14 44.200 43.746 0.454 1
1 125 . 20 1 1 A 14 14 LEU N N 14 126.700 127.597 -0.897 1
1 126 . 20 1 1 A 15 15 GLU H H 15 8.680 8.685 -0.005 1
1 127 . 20 1 1 A 15 15 GLU HA H 15 4.240 4.842 -0.602 1
1 132 . 20 1 1 A 15 15 GLU CA C 15 56.900 56.224 0.676 1
1 133 . 20 1 1 A 15 15 GLU CB C 15 29.900 30.456 -0.556 1
1 135 . 20 1 1 A 15 15 GLU N N 15 120.600 124.417 -3.817 1
1 136 . 20 1 1 A 16 16 LEU H H 16 7.740 8.047 -0.307 1
1 137 . 20 1 1 A 16 16 LEU HA H 16 4.360 4.856 -0.496 1
1 147 . 20 1 1 A 16 16 LEU CA C 16 54.000 54.446 -0.446 1
1 148 . 20 1 1 A 16 16 LEU CB C 16 43.300 42.913 0.387 1
1 152 . 20 1 1 A 16 16 LEU N N 16 125.200 127.004 -1.804 1
1 153 . 20 1 1 A 17 17 THR H H 17 8.500 8.739 -0.239 1
1 154 . 20 1 1 A 17 17 THR HA H 17 4.420 4.762 -0.342 1
1 159 . 20 1 1 A 17 17 THR CA C 17 63.100 62.376 0.724 1
1 160 . 20 1 1 A 17 17 THR CB C 17 69.600 69.441 0.159 1
1 162 . 20 1 1 A 17 17 THR N N 17 127.300 124.614 2.686 1
1 163 . 20 1 1 A 18 18 VAL H H 18 8.840 9.314 -0.474 1
1 164 . 20 1 1 A 18 18 VAL HA H 18 4.490 4.907 -0.417 1
1 172 . 20 1 1 A 18 18 VAL CA C 18 61.100 61.082 0.018 1
1 173 . 20 1 1 A 18 18 VAL CB C 18 33.300 33.440 -0.140 1
1 176 . 20 1 1 A 18 18 VAL N N 18 127.000 128.249 -1.249 1
1 177 . 20 1 1 A 19 19 LEU H H 19 8.830 9.571 -0.741 1
1 178 . 20 1 1 A 19 19 LEU HA H 19 4.920 4.615 0.305 1
1 188 . 20 1 1 A 19 19 LEU CA C 19 53.400 54.226 -0.826 1
1 189 . 20 1 1 A 19 19 LEU CB C 19 41.200 41.582 -0.382 1
1 193 . 20 1 1 A 19 19 LEU N N 19 128.500 128.309 0.191 1
1 194 . 20 1 1 A 20 20 TYR H H 20 8.470 9.144 -0.674 1
1 195 . 20 1 1 A 20 20 TYR HA H 20 4.280 5.032 -0.752 1
1 202 . 20 1 1 A 20 20 TYR CA C 20 55.600 57.037 -1.437 1
1 203 . 20 1 1 A 20 20 TYR CB C 20 38.200 40.559 -2.359 1
1 206 . 20 1 1 A 20 20 TYR N N 20 120.300 118.760 1.540 1
1 207 . 20 1 1 A 21 21 ASP H H 21 8.920 7.955 0.965 1
1 208 . 20 1 1 A 21 21 ASP HA H 21 4.640 4.386 0.254 1
1 211 . 20 1 1 A 21 21 ASP CA C 21 53.000 54.969 -1.969 1
1 212 . 20 1 1 A 21 21 ASP CB C 21 39.300 40.196 -0.896 1
1 213 . 20 1 1 A 21 21 ASP N N 21 118.600 120.417 -1.817 1
1 214 . 20 1 1 A 22 22 GLU H H 22 7.930 8.477 -0.547 1
1 215 . 20 1 1 A 22 22 GLU HA H 22 4.250 4.723 -0.473 1
1 220 . 20 1 1 A 22 22 GLU CA C 22 57.000 55.802 1.198 1
1 221 . 20 1 1 A 22 22 GLU CB C 22 29.000 30.550 -1.550 1
1 223 . 20 1 1 A 22 22 GLU N N 22 126.600 122.640 3.960 1
1 224 . 20 1 1 A 23 23 GLU H H 23 8.060 8.147 -0.087 1
1 225 . 20 1 1 A 23 23 GLU HA H 23 4.130 4.053 0.077 1
1 230 . 20 1 1 A 23 23 GLU CA C 23 57.800 59.313 -1.513 1
1 231 . 20 1 1 A 23 23 GLU CB C 23 29.500 29.595 -0.095 1
1 233 . 20 1 1 A 23 23 GLU N N 23 117.800 120.904 -3.104 1
1 234 . 20 1 1 A 24 24 ARG H H 24 7.070 7.886 -0.816 1
1 235 . 20 1 1 A 24 24 ARG HA H 24 4.170 4.366 -0.196 1
1 243 . 20 1 1 A 24 24 ARG CA C 24 56.500 55.322 1.178 1
1 244 . 20 1 1 A 24 24 ARG CB C 24 33.500 31.534 1.966 1
1 247 . 20 1 1 A 24 24 ARG N N 24 116.700 117.685 -0.985 1
1 249 . 20 1 1 A 25 25 TYR H H 25 8.150 7.789 0.361 1
1 250 . 20 1 1 A 25 25 TYR HA H 25 5.470 5.699 -0.229 1
1 257 . 20 1 1 A 25 25 TYR CA C 25 56.900 56.750 0.150 1
1 258 . 20 1 1 A 25 25 TYR CB C 25 43.100 43.158 -0.058 1
1 261 . 20 1 1 A 25 25 TYR N N 25 116.800 118.851 -2.051 1
1 262 . 20 1 1 A 26 26 ASP H H 26 9.120 8.711 0.409 1
1 263 . 20 1 1 A 26 26 ASP HA H 26 5.250 5.363 -0.113 1
1 266 . 20 1 1 A 26 26 ASP CA C 26 52.400 52.713 -0.313 1
1 267 . 20 1 1 A 26 26 ASP CB C 26 44.500 45.216 -0.716 1
1 268 . 20 1 1 A 26 26 ASP N N 26 116.900 120.539 -3.639 1
1 269 . 20 1 1 A 27 27 ILE H H 27 8.640 8.699 -0.059 1
1 270 . 20 1 1 A 27 27 ILE HA H 27 4.100 4.079 0.021 1
1 280 . 20 1 1 A 27 27 ILE CA C 27 61.400 61.103 0.297 1
1 281 . 20 1 1 A 27 27 ILE CB C 27 38.600 36.829 1.771 1
1 285 . 20 1 1 A 27 27 ILE N N 27 121.200 124.528 -3.328 1
1 286 . 20 1 1 A 28 28 VAL H H 28 8.840 8.652 0.188 1
1 287 . 20 1 1 A 28 28 VAL HA H 28 3.930 3.959 -0.029 1
1 295 . 20 1 1 A 28 28 VAL CA C 28 63.800 64.233 -0.433 1
1 296 . 20 1 1 A 28 28 VAL CB C 28 32.900 32.553 0.347 1
1 299 . 20 1 1 A 28 28 VAL N N 28 128.700 129.477 -0.777 1
1 300 . 20 1 1 A 29 29 GLU H H 29 7.180 7.730 -0.550 1
1 301 . 20 1 1 A 29 29 GLU HA H 29 4.490 4.725 -0.235 1
1 306 . 20 1 1 A 29 29 GLU CA C 29 55.200 54.869 0.331 1
1 307 . 20 1 1 A 29 29 GLU CB C 29 32.900 34.167 -1.267 1
1 309 . 20 1 1 A 29 29 GLU N N 29 116.000 119.074 -3.074 1
1 310 . 20 1 1 A 30 30 GLN H H 30 8.760 8.933 -0.173 1
1 311 . 20 1 1 A 30 30 GLN HA H 30 5.450 4.983 0.467 1
1 314 . 20 1 1 A 30 30 GLN CA C 30 54.200 54.846 -0.646 1
1 315 . 20 1 1 A 30 30 GLN CB C 30 33.100 30.955 2.145 1
1 316 . 20 1 1 A 30 30 GLN N N 30 117.200 118.473 -1.273 1
1 317 . 20 1 1 A 31 31 THR H H 31 8.200 8.790 -0.590 1
1 318 . 20 1 1 A 31 31 THR HA H 31 4.160 4.583 -0.423 1
1 323 . 20 1 1 A 31 31 THR CA C 31 64.500 62.330 2.170 1
1 324 . 20 1 1 A 31 31 THR CB C 31 70.300 68.815 1.485 1
1 326 . 20 1 1 A 31 31 THR N N 31 119.400 116.243 3.157 1
1 327 . 20 1 1 A 32 32 GLU H H 32 9.230 8.994 0.236 1
1 328 . 20 1 1 A 32 32 GLU HA H 32 4.170 4.143 0.027 1
1 333 . 20 1 1 A 32 32 GLU CA C 32 60.000 59.301 0.699 1
1 334 . 20 1 1 A 32 32 GLU CB C 32 31.000 30.111 0.889 1
1 336 . 20 1 1 A 32 32 GLU N N 32 129.600 127.311 2.289 1
1 337 . 20 1 1 A 33 33 THR H H 33 7.510 7.949 -0.439 1
1 338 . 20 1 1 A 33 33 THR HA H 33 5.320 5.180 0.140 1
1 343 . 20 1 1 A 33 33 THR CA C 33 58.500 60.217 -1.717 1
1 344 . 20 1 1 A 33 33 THR CB C 33 73.100 71.952 1.148 1
1 346 . 20 1 1 A 33 33 THR N N 33 107.500 109.078 -1.578 1
1 347 . 20 1 1 A 34 34 VAL H H 34 8.700 9.212 -0.512 1
1 348 . 20 1 1 A 34 34 VAL HA H 34 4.670 4.951 -0.281 1
1 356 . 20 1 1 A 34 34 VAL CA C 34 59.200 58.699 0.501 1
1 357 . 20 1 1 A 34 34 VAL CB C 34 35.200 35.304 -0.104 1
1 360 . 20 1 1 A 34 34 VAL N N 34 112.000 117.908 -5.908 1
1 361 . 20 1 1 A 35 35 GLN H H 35 8.930 8.842 0.088 1
1 362 . 20 1 1 A 35 35 GLN HA H 35 4.790 4.914 -0.124 1
1 369 . 20 1 1 A 35 35 GLN CA C 35 54.800 54.612 0.188 1
1 370 . 20 1 1 A 35 35 GLN CB C 35 29.900 31.671 -1.771 1
1 372 . 20 1 1 A 35 35 GLN N N 35 123.200 122.789 0.411 1
1 374 . 20 1 1 A 36 36 VAL H H 36 7.940 8.282 -0.342 1
1 375 . 20 1 1 A 36 36 VAL HA H 36 4.850 5.038 -0.188 1
1 383 . 20 1 1 A 36 36 VAL CA C 36 61.300 59.937 1.363 1
1 384 . 20 1 1 A 36 36 VAL CB C 36 34.200 34.024 0.176 1
1 387 . 20 1 1 A 36 36 VAL N N 36 124.300 126.972 -2.672 1
1 388 . 20 1 1 A 37 37 ASP H H 37 8.670 8.917 -0.247 1
1 389 . 20 1 1 A 37 37 ASP HA H 37 5.240 5.241 -0.001 1
1 392 . 20 1 1 A 37 37 ASP CA C 37 53.000 52.630 0.370 1
1 393 . 20 1 1 A 37 37 ASP CB C 37 44.700 44.660 0.040 1
1 394 . 20 1 1 A 37 37 ASP N N 37 126.900 128.917 -2.017 1
1 395 . 20 1 1 A 38 38 LEU H H 38 8.850 9.020 -0.170 1
1 396 . 20 1 1 A 38 38 LEU HA H 38 5.160 5.278 -0.118 1
1 406 . 20 1 1 A 38 38 LEU CA C 38 52.400 53.112 -0.712 1
1 407 . 20 1 1 A 38 38 LEU CB C 38 46.100 44.662 1.438 1
1 411 . 20 1 1 A 38 38 LEU N N 38 119.100 126.066 -6.966 1
1 412 . 20 1 1 A 39 39 GLU H H 39 8.380 9.143 -0.763 1
1 413 . 20 1 1 A 39 39 GLU HA H 39 5.210 5.178 0.032 1
1 418 . 20 1 1 A 39 39 GLU CA C 39 54.600 54.679 -0.079 1
1 419 . 20 1 1 A 39 39 GLU CB C 39 33.900 33.154 0.746 1
1 421 . 20 1 1 A 39 39 GLU N N 39 120.800 120.722 0.078 1
1 422 . 20 1 1 A 40 40 GLY H H 40 8.110 7.911 0.199 1
1 423 . 20 1 1 A 40 40 GLY HA2 H 40 4.230 4.071 0.159 1
1 424 . 20 1 1 A 40 40 GLY HA3 H 40 3.730 4.103 -0.373 1
1 425 . 20 1 1 A 40 40 GLY CA C 40 45.000 44.281 0.719 1
1 426 . 20 1 1 A 40 40 GLY N N 40 110.000 108.447 1.553 1
1 427 . 20 1 1 A 41 41 PRO HA H 41 4.380 4.747 -0.367 1
1 434 . 20 1 1 A 41 41 PRO CA C 41 62.200 62.589 -0.389 1
1 435 . 20 1 1 A 41 41 PRO CB C 41 32.400 31.609 0.791 1
1 438 . 20 1 1 A 42 42 ARG H H 42 9.020 8.454 0.566 1
1 439 . 20 1 1 A 42 42 ARG HA H 42 3.790 3.928 -0.138 1
1 446 . 20 1 1 A 42 42 ARG CA C 42 60.400 58.886 1.514 1
1 447 . 20 1 1 A 42 42 ARG CB C 42 29.900 29.651 0.249 1
1 450 . 20 1 1 A 42 42 ARG N N 42 125.500 122.928 2.572 1
1 451 . 20 1 1 A 43 43 GLY H H 43 9.310 8.202 1.108 1
1 452 . 20 1 1 A 43 43 GLY HA2 H 43 3.890 3.716 0.174 1
1 453 . 20 1 1 A 43 43 GLY HA3 H 43 3.890 3.729 0.161 1
1 454 . 20 1 1 A 43 43 GLY CA C 43 47.000 47.486 -0.486 1
1 455 . 20 1 1 A 43 43 GLY N N 43 107.200 108.417 -1.217 1
1 456 . 20 1 1 A 44 44 VAL H H 44 6.930 8.208 -1.278 1
1 457 . 20 1 1 A 44 44 VAL HA H 44 3.800 3.771 0.029 1
1 465 . 20 1 1 A 44 44 VAL CA C 44 65.100 65.945 -0.845 1
1 466 . 20 1 1 A 44 44 VAL CB C 44 32.000 31.852 0.148 1
1 469 . 20 1 1 A 44 44 VAL N N 44 121.100 122.711 -1.611 1
1 470 . 20 1 1 A 45 45 LEU H H 45 7.830 8.013 -0.183 1
1 471 . 20 1 1 A 45 45 LEU HA H 45 3.890 3.924 -0.034 1
1 481 . 20 1 1 A 45 45 LEU CA C 45 58.100 57.966 0.134 1
1 482 . 20 1 1 A 45 45 LEU CB C 45 41.800 41.358 0.442 1
1 486 . 20 1 1 A 45 45 LEU N N 45 120.700 119.193 1.507 1
1 487 . 20 1 1 A 46 46 THR H H 46 8.340 7.960 0.380 1
1 488 . 20 1 1 A 46 46 THR HA H 46 3.850 3.871 -0.021 1
1 493 . 20 1 1 A 46 46 THR CA C 46 66.800 66.449 0.351 1
1 494 . 20 1 1 A 46 46 THR CB C 46 68.800 68.111 0.689 1
1 496 . 20 1 1 A 46 46 THR N N 46 114.900 116.090 -1.190 1
1 497 . 20 1 1 A 47 47 VAL H H 47 7.210 7.631 -0.421 1
1 498 . 20 1 1 A 47 47 VAL HA H 47 3.820 3.766 0.054 1
1 506 . 20 1 1 A 47 47 VAL CA C 47 65.600 66.641 -1.041 1
1 507 . 20 1 1 A 47 47 VAL CB C 47 31.900 31.619 0.281 1
1 510 . 20 1 1 A 47 47 VAL N N 47 119.600 121.459 -1.859 1
1 511 . 20 1 1 A 48 48 PHE H H 48 8.140 8.347 -0.207 1
1 512 . 20 1 1 A 48 48 PHE HA H 48 4.210 4.111 0.099 1
1 520 . 20 1 1 A 48 48 PHE CA C 48 61.100 60.667 0.433 1
1 521 . 20 1 1 A 48 48 PHE CB C 48 39.200 39.228 -0.028 1
1 525 . 20 1 1 A 48 48 PHE N N 48 120.600 120.554 0.046 1
1 526 . 20 1 1 A 49 49 ARG H H 49 8.150 8.224 -0.074 1
1 527 . 20 1 1 A 49 49 ARG HA H 49 3.710 3.928 -0.218 1
1 534 . 20 1 1 A 49 49 ARG CA C 49 58.500 59.590 -1.090 1
1 535 . 20 1 1 A 49 49 ARG CB C 49 30.000 29.480 0.520 1
1 538 . 20 1 1 A 49 49 ARG N N 49 117.500 117.951 -0.451 1
1 539 . 20 1 1 A 50 50 PHE H H 50 7.270 7.171 0.099 1
1 540 . 20 1 1 A 50 50 PHE HA H 50 4.620 4.278 0.342 1
1 548 . 20 1 1 A 50 50 PHE CA C 50 57.700 60.367 -2.667 1
1 549 . 20 1 1 A 50 50 PHE CB C 50 39.600 39.891 -0.291 1
1 553 . 20 1 1 A 50 50 PHE N N 50 115.500 117.107 -1.607 1
1 554 . 20 1 1 A 51 51 ALA H H 51 7.620 7.109 0.511 1
1 555 . 20 1 1 A 51 51 ALA HA H 51 4.320 4.232 0.088 1
1 559 . 20 1 1 A 51 51 ALA CA C 51 51.700 52.181 -0.481 1
1 560 . 20 1 1 A 51 51 ALA CB C 51 19.300 19.297 0.003 1
1 561 . 20 1 1 A 51 51 ALA N N 51 124.200 120.882 3.318 1
1 562 . 20 1 1 A 52 52 ARG H H 52 8.570 8.491 0.079 1
1 563 . 20 1 1 A 52 52 ARG HA H 52 4.270 4.375 -0.105 1
1 570 . 20 1 1 A 52 52 ARG CA C 52 54.700 54.736 -0.036 1
1 571 . 20 1 1 A 52 52 ARG CB C 52 29.300 29.420 -0.120 1
1 574 . 20 1 1 A 52 52 ARG N N 52 123.500 123.449 0.051 1
1 575 . 20 1 1 A 53 53 PRO HA H 53 4.240 4.239 0.001 1
1 582 . 20 1 1 A 53 53 PRO CA C 53 63.600 63.226 0.374 1
1 583 . 20 1 1 A 53 53 PRO CB C 53 31.600 31.876 -0.276 1
1 586 . 20 1 1 A 54 54 SER H H 54 8.100 8.783 -0.683 1
1 587 . 20 1 1 A 54 54 SER HA H 54 4.390 4.675 -0.285 1
1 590 . 20 1 1 A 54 54 SER CA C 54 57.200 57.639 -0.439 1
1 591 . 20 1 1 A 54 54 SER CB C 54 63.100 64.756 -1.656 1
1 592 . 20 1 1 A 54 54 SER N N 54 117.200 117.066 0.134 1
1 593 . 20 1 1 A 55 55 TYR H H 55 6.640 7.128 -0.488 1
1 594 . 20 1 1 A 55 55 TYR HA H 55 5.030 4.877 0.153 1
1 601 . 20 1 1 A 55 55 TYR CA C 55 53.900 57.460 -3.560 1
1 602 . 20 1 1 A 55 55 TYR CB C 55 39.200 39.981 -0.781 1
1 605 . 20 1 1 A 55 55 TYR N N 55 119.200 119.978 -0.778 1
1 606 . 20 1 1 A 56 56 GLU H H 56 8.890 9.630 -0.740 1
1 607 . 20 1 1 A 56 56 GLU HA H 56 4.740 5.197 -0.457 1
1 612 . 20 1 1 A 56 56 GLU CA C 56 55.700 55.274 0.426 1
1 613 . 20 1 1 A 56 56 GLU CB C 56 35.000 34.031 0.969 1
1 615 . 20 1 1 A 56 56 GLU N N 56 118.800 122.192 -3.392 1
1 616 . 20 1 1 A 57 57 VAL H H 57 8.830 8.803 0.027 1
1 617 . 20 1 1 A 57 57 VAL HA H 57 5.370 5.089 0.281 1
1 625 . 20 1 1 A 57 57 VAL CA C 57 59.900 60.252 -0.352 1
1 626 . 20 1 1 A 57 57 VAL CB C 57 33.300 34.628 -1.328 1
1 629 . 20 1 1 A 57 57 VAL N N 57 117.800 119.743 -1.943 1
1 630 . 20 1 1 A 58 58 PHE H H 58 8.870 8.201 0.669 1
1 631 . 20 1 1 A 58 58 PHE HA H 58 6.090 5.817 0.273 1
1 634 . 20 1 1 A 58 58 PHE CA C 58 55.600 55.941 -0.341 1
1 635 . 20 1 1 A 58 58 PHE CB C 58 42.700 41.779 0.921 1
1 636 . 20 1 1 A 58 58 PHE N N 58 120.600 119.911 0.689 1
1 637 . 20 1 1 A 59 59 VAL H H 59 8.270 8.989 -0.719 1
1 638 . 20 1 1 A 59 59 VAL HA H 59 4.730 4.830 -0.100 1
1 646 . 20 1 1 A 59 59 VAL CA C 59 58.500 59.871 -1.371 1
1 647 . 20 1 1 A 59 59 VAL CB C 59 34.800 35.494 -0.694 1
1 650 . 20 1 1 A 59 59 VAL N N 59 108.700 117.007 -8.307 1
1 651 . 20 1 1 A 60 60 ASP H H 60 9.360 8.921 0.439 1
1 652 . 20 1 1 A 60 60 ASP HA H 60 5.080 4.916 0.164 1
1 655 . 20 1 1 A 60 60 ASP CA C 60 52.700 53.173 -0.473 1
1 656 . 20 1 1 A 60 60 ASP CB C 60 41.100 42.215 -1.115 1
1 657 . 20 1 1 A 60 60 ASP N N 60 123.000 125.659 -2.659 1
1 658 . 20 1 1 A 61 61 LEU H H 61 9.230 8.801 0.429 1
1 659 . 20 1 1 A 61 61 LEU HA H 61 4.670 4.812 -0.142 1
1 669 . 20 1 1 A 61 61 LEU CA C 61 53.300 53.873 -0.573 1
1 670 . 20 1 1 A 61 61 LEU CB C 61 40.900 42.972 -2.072 1
1 674 . 20 1 1 A 61 61 LEU N N 61 128.600 127.718 0.882 1
1 675 . 20 1 1 A 62 62 THR H H 62 8.720 8.014 0.706 1
1 676 . 20 1 1 A 62 62 THR HA H 62 3.590 4.177 -0.587 1
1 681 . 20 1 1 A 62 62 THR CA C 62 67.000 64.794 2.206 1
1 682 . 20 1 1 A 62 62 THR CB C 62 69.100 68.842 0.258 1
1 684 . 20 1 1 A 62 62 THR N N 62 115.800 113.892 1.908 1
1 685 . 20 1 1 A 63 63 GLU H H 63 8.490 7.760 0.730 1
1 686 . 20 1 1 A 63 63 GLU HA H 63 4.530 4.479 0.051 1
1 691 . 20 1 1 A 63 63 GLU CA C 63 55.100 55.905 -0.805 1
1 692 . 20 1 1 A 63 63 GLU CB C 63 29.200 30.401 -1.201 1
1 694 . 20 1 1 A 63 63 GLU N N 63 118.800 120.221 -1.421 1
1 695 . 20 1 1 A 64 64 ALA H H 64 7.100 7.307 -0.207 1
1 696 . 20 1 1 A 64 64 ALA HA H 64 4.130 4.263 -0.133 1
1 700 . 20 1 1 A 64 64 ALA CA C 64 51.500 51.779 -0.279 1
1 701 . 20 1 1 A 64 64 ALA CB C 64 20.900 20.968 -0.068 1
1 702 . 20 1 1 A 64 64 ALA N N 64 123.700 123.087 0.613 1
1 703 . 20 1 1 A 65 65 GLY H H 65 7.800 8.060 -0.260 1
1 704 . 20 1 1 A 65 65 GLY HA2 H 65 4.180 3.582 0.598 1
1 705 . 20 1 1 A 65 65 GLY HA3 H 65 3.540 3.918 -0.378 1
1 706 . 20 1 1 A 65 65 GLY CA C 65 42.600 44.520 -1.920 1
1 707 . 20 1 1 A 65 65 GLY N N 65 106.800 105.744 1.056 1
1 708 . 20 1 1 A 66 66 GLU H H 66 8.490 8.407 0.083 1
1 709 . 20 1 1 A 66 66 GLU HA H 66 3.750 4.850 -1.100 1
1 714 . 20 1 1 A 66 66 GLU CA C 66 57.400 55.138 2.262 1
1 715 . 20 1 1 A 66 66 GLU CB C 66 30.300 32.428 -2.128 1
1 717 . 20 1 1 A 66 66 GLU N N 66 119.900 121.784 -1.884 1
1 718 . 20 1 1 A 67 67 GLY H H 67 8.470 8.440 0.030 1
1 719 . 20 1 1 A 67 67 GLY HA2 H 67 3.770 4.103 -0.333 1
1 720 . 20 1 1 A 67 67 GLY HA3 H 67 4.390 4.103 0.287 1
1 721 . 20 1 1 A 67 67 GLY CA C 67 43.400 44.181 -0.781 1
1 722 . 20 1 1 A 67 67 GLY N N 67 110.800 109.731 1.069 1
1 723 . 20 1 1 A 68 68 SER H H 68 8.250 8.310 -0.060 1
1 724 . 20 1 1 A 68 68 SER HA H 68 4.610 5.618 -1.008 1
1 727 . 20 1 1 A 68 68 SER CA C 68 57.700 57.447 0.253 1
1 728 . 20 1 1 A 68 68 SER CB C 68 63.300 64.212 -0.912 1
1 729 . 20 1 1 A 68 68 SER N N 68 114.500 115.025 -0.525 1
1 730 . 20 1 1 A 69 69 HIS H H 69 8.780 8.973 -0.193 1
1 731 . 20 1 1 A 69 69 HIS HA H 69 4.790 5.234 -0.444 1
1 734 . 20 1 1 A 69 69 HIS CA C 69 55.300 54.644 0.656 1
1 735 . 20 1 1 A 69 69 HIS CB C 69 33.900 32.978 0.922 1
1 736 . 20 1 1 A 69 69 HIS N N 69 125.400 126.398 -0.998 1
1 737 . 20 1 1 A 70 70 THR H H 70 8.870 8.555 0.315 1
1 738 . 20 1 1 A 70 70 THR HA H 70 5.380 5.059 0.321 1
1 743 . 20 1 1 A 70 70 THR CA C 70 61.600 61.983 -0.383 1
1 744 . 20 1 1 A 70 70 THR CB C 70 69.400 69.994 -0.594 1
1 746 . 20 1 1 A 70 70 THR N N 70 121.200 122.868 -1.668 1
1 747 . 20 1 1 A 71 71 VAL H H 71 8.860 9.019 -0.159 1
1 748 . 20 1 1 A 71 71 VAL HA H 71 4.730 4.953 -0.223 1
1 756 . 20 1 1 A 71 71 VAL CA C 71 58.900 58.819 0.081 1
1 757 . 20 1 1 A 71 71 VAL CB C 71 36.000 35.447 0.553 1
1 760 . 20 1 1 A 71 71 VAL N N 71 122.100 120.565 1.535 1
1 761 . 20 1 1 A 72 72 ASP H H 72 8.610 8.463 0.147 1
1 762 . 20 1 1 A 72 72 ASP HA H 72 4.660 4.855 -0.195 1
1 765 . 20 1 1 A 72 72 ASP CA C 72 55.500 54.077 1.423 1
1 766 . 20 1 1 A 72 72 ASP CB C 72 40.800 42.247 -1.447 1
1 767 . 20 1 1 A 72 72 ASP N N 72 124.300 122.611 1.689 1
1 768 . 20 1 1 A 73 73 VAL H H 73 8.090 8.684 -0.594 1
1 769 . 20 1 1 A 73 73 VAL HA H 73 3.770 4.189 -0.419 1
1 777 . 20 1 1 A 73 73 VAL CA C 73 63.600 62.042 1.558 1
1 778 . 20 1 1 A 73 73 VAL CB C 73 31.600 32.155 -0.555 1
1 781 . 20 1 1 A 73 73 VAL N N 73 121.400 125.371 -3.971 1
1 782 . 20 1 1 A 74 74 GLU H H 74 8.900 8.580 0.320 1
1 783 . 20 1 1 A 74 74 GLU HA H 74 4.370 4.428 -0.058 1
1 788 . 20 1 1 A 74 74 GLU CA C 74 54.700 55.211 -0.511 1
1 789 . 20 1 1 A 74 74 GLU CB C 74 33.300 31.697 1.603 1
1 791 . 20 1 1 A 74 74 GLU N N 74 129.600 127.058 2.542 1
1 792 . 20 1 1 A 75 75 HIS H H 75 7.940 8.155 -0.215 1
1 793 . 20 1 1 A 75 75 HIS HA H 75 5.830 5.343 0.487 1
1 796 . 20 1 1 A 75 75 HIS CA C 75 54.100 53.766 0.334 1
1 797 . 20 1 1 A 75 75 HIS CB C 75 39.500 33.291 6.209 1
1 798 . 20 1 1 A 75 75 HIS N N 75 112.800 117.333 -4.533 1
1 799 . 20 1 1 A 76 76 ARG H H 76 9.210 8.750 0.460 1
1 800 . 20 1 1 A 76 76 ARG HA H 76 5.170 4.572 0.598 1
1 805 . 20 1 1 A 76 76 ARG CA C 76 55.300 55.305 -0.005 1
1 806 . 20 1 1 A 76 76 ARG CB C 76 33.400 33.639 -0.239 1
1 808 . 20 1 1 A 76 76 ARG N N 76 117.100 120.466 -3.366 1
1 809 . 20 1 1 A 77 77 GLY H H 77 8.740 8.239 0.501 1
1 810 . 20 1 1 A 77 77 GLY HA2 H 77 4.410 4.068 0.342 1
1 811 . 20 1 1 A 77 77 GLY HA3 H 77 3.670 4.138 -0.468 1
1 812 . 20 1 1 A 77 77 GLY CA C 77 45.400 45.422 -0.022 1
1 813 . 20 1 1 A 77 77 GLY N N 77 107.400 113.953 -6.553 1
1 814 . 20 1 1 A 78 78 PHE H H 78 7.920 7.278 0.642 1
1 815 . 20 1 1 A 78 78 PHE HA H 78 4.450 5.362 -0.912 1
1 823 . 20 1 1 A 78 78 PHE CA C 78 54.200 55.497 -1.297 1
1 824 . 20 1 1 A 78 78 PHE CB C 78 41.000 41.708 -0.708 1
1 828 . 20 1 1 A 78 78 PHE N N 78 120.200 117.106 3.094 1
1 829 . 20 1 1 A 79 79 PRO HA H 79 4.470 4.724 -0.254 1
1 836 . 20 1 1 A 79 79 PRO CA C 79 63.300 62.354 0.946 1
1 837 . 20 1 1 A 79 79 PRO CB C 79 32.200 32.729 -0.529 1
1 840 . 20 1 1 A 80 80 GLY H H 80 8.820 8.631 0.189 1
1 841 . 20 1 1 A 80 80 GLY HA2 H 80 4.020 3.942 0.078 1
1 842 . 20 1 1 A 80 80 GLY HA3 H 80 3.890 3.986 -0.096 1
1 843 . 20 1 1 A 80 80 GLY CA C 80 46.600 45.671 0.929 1
1 844 . 20 1 1 A 80 80 GLY N N 80 110.100 109.069 1.031 1
1 845 . 20 1 1 A 81 81 ASP H H 81 8.360 7.880 0.480 1
1 846 . 20 1 1 A 81 81 ASP HA H 81 4.560 4.471 0.089 1
1 849 . 20 1 1 A 81 81 ASP CA C 81 53.800 56.440 -2.640 1
1 850 . 20 1 1 A 81 81 ASP CB C 81 40.300 41.139 -0.839 1
1 851 . 20 1 1 A 81 81 ASP N N 81 114.800 120.097 -5.297 1
1 852 . 20 1 1 A 82 82 LEU H H 82 7.400 7.024 0.376 1
1 853 . 20 1 1 A 82 82 LEU HA H 82 4.720 4.376 0.344 1
1 863 . 20 1 1 A 82 82 LEU CA C 82 52.800 54.115 -1.315 1
1 864 . 20 1 1 A 82 82 LEU CB C 82 42.900 42.749 0.151 1
1 868 . 20 1 1 A 82 82 LEU N N 82 115.500 120.902 -5.402 1
1 869 . 20 1 1 A 83 83 ALA H H 83 8.930 8.685 0.245 1
1 870 . 20 1 1 A 83 83 ALA HA H 83 4.530 5.076 -0.546 1
1 874 . 20 1 1 A 83 83 ALA CA C 83 50.900 50.568 0.332 1
1 875 . 20 1 1 A 83 83 ALA CB C 83 19.600 20.574 -0.974 1
1 876 . 20 1 1 A 83 83 ALA N N 83 124.900 124.788 0.112 1
1 877 . 20 1 1 A 84 84 VAL H H 84 8.570 8.841 -0.271 1
1 878 . 20 1 1 A 84 84 VAL HA H 84 3.930 4.680 -0.750 1
1 886 . 20 1 1 A 84 84 VAL CA C 84 61.300 61.091 0.209 1
1 887 . 20 1 1 A 84 84 VAL CB C 84 32.800 33.629 -0.829 1
1 890 . 20 1 1 A 84 84 VAL N N 84 126.800 122.909 3.891 1
1 891 . 20 1 1 A 85 85 THR H H 85 9.000 9.350 -0.350 1
1 892 . 20 1 1 A 85 85 THR HA H 85 4.440 4.893 -0.453 1
1 897 . 20 1 1 A 85 85 THR CA C 85 61.900 61.751 0.149 1
1 898 . 20 1 1 A 85 85 THR CB C 85 70.100 70.436 -0.336 1
1 900 . 20 1 1 A 85 85 THR N N 85 125.500 123.101 2.399 1
1 901 . 20 1 1 A 86 86 VAL H H 86 8.280 9.087 -0.807 1
1 902 . 20 1 1 A 86 86 VAL HA H 86 5.010 4.718 0.292 1
1 910 . 20 1 1 A 86 86 VAL CA C 86 59.300 60.917 -1.617 1
1 911 . 20 1 1 A 86 86 VAL CB C 86 33.700 35.139 -1.439 1
1 914 . 20 1 1 A 86 86 VAL N N 86 123.200 126.019 -2.819 1
1 915 . 20 1 1 A 87 87 GLU H H 87 8.560 8.980 -0.420 1
1 916 . 20 1 1 A 87 87 GLU HA H 87 4.720 4.831 -0.111 1
1 921 . 20 1 1 A 87 87 GLU CA C 87 52.400 53.439 -1.039 1
1 922 . 20 1 1 A 87 87 GLU CB C 87 33.600 30.764 2.836 1
1 924 . 20 1 1 A 87 87 GLU N N 87 124.400 127.472 -3.072 1
1 925 . 20 1 1 A 88 88 PRO HA H 88 4.770 4.447 0.323 1
1 932 . 20 1 1 A 88 88 PRO CA C 88 62.800 63.638 -0.838 1
1 933 . 20 1 1 A 88 88 PRO CB C 88 34.300 32.379 1.921 1
1 936 . 20 1 1 A 89 89 ARG H H 89 8.200 8.967 -0.767 1
1 937 . 20 1 1 A 89 89 ARG HA H 89 4.050 4.464 -0.414 1
1 945 . 20 1 1 A 89 89 ARG CA C 89 57.300 57.048 0.252 1
1 946 . 20 1 1 A 89 89 ARG CB C 89 30.700 31.512 -0.812 1
1 949 . 20 1 1 A 89 89 ARG N N 89 114.400 120.064 -5.664 1
1 951 . 20 1 1 A 90 90 MET H H 90 7.750 7.582 0.168 1
1 952 . 20 1 1 A 90 90 MET HA H 90 5.060 5.205 -0.145 1
1 960 . 20 1 1 A 90 90 MET CA C 90 53.700 54.016 -0.316 1
1 961 . 20 1 1 A 90 90 MET CB C 90 34.700 34.598 0.102 1
1 964 . 20 1 1 A 90 90 MET N N 90 115.900 118.899 -2.999 1
1 965 . 20 1 1 A 91 91 ALA H H 91 9.020 9.479 -0.459 1
1 966 . 20 1 1 A 91 91 ALA HA H 91 4.640 5.271 -0.631 1
1 970 . 20 1 1 A 91 91 ALA CA C 91 49.300 49.933 -0.633 1
1 971 . 20 1 1 A 91 91 ALA CB C 91 23.600 21.834 1.766 1
1 972 . 20 1 1 A 91 91 ALA N N 91 123.200 125.482 -2.282 1
1 973 . 20 1 1 A 92 92 ARG H H 92 8.370 8.265 0.105 1
1 974 . 20 1 1 A 92 92 ARG HA H 92 5.480 5.277 0.203 1
1 982 . 20 1 1 A 92 92 ARG CA C 92 54.000 54.936 -0.936 1
1 983 . 20 1 1 A 92 92 ARG CB C 92 32.600 32.105 0.495 1
1 986 . 20 1 1 A 92 92 ARG N N 92 119.600 121.457 -1.857 1
1 988 . 20 1 1 A 93 93 VAL H H 93 8.920 8.618 0.302 1
1 989 . 20 1 1 A 93 93 VAL HA H 93 4.510 5.088 -0.578 1
1 997 . 20 1 1 A 93 93 VAL CA C 93 61.000 59.537 1.463 1
1 998 . 20 1 1 A 93 93 VAL CB C 93 36.900 34.922 1.978 1
1 1001 . 20 1 1 A 93 93 VAL N N 93 124.100 121.698 2.402 1
1 1002 . 20 1 1 A 94 94 GLN H H 94 8.930 9.413 -0.483 1
1 1003 . 20 1 1 A 94 94 GLN HA H 94 5.400 4.950 0.450 1
1 1010 . 20 1 1 A 94 94 GLN CA C 94 53.500 54.330 -0.830 1
1 1011 . 20 1 1 A 94 94 GLN CB C 94 30.300 31.471 -1.171 1
1 1013 . 20 1 1 A 94 94 GLN N N 94 127.900 128.567 -0.667 1
1 1015 . 20 1 1 A 95 95 LEU H H 95 8.870 9.454 -0.584 1
1 1016 . 20 1 1 A 95 95 LEU HA H 95 5.390 5.128 0.262 1
1 1026 . 20 1 1 A 95 95 LEU CA C 95 53.000 53.275 -0.275 1
1 1027 . 20 1 1 A 95 95 LEU CB C 95 44.800 44.083 0.717 1
1 1031 . 20 1 1 A 95 95 LEU N N 95 126.400 129.033 -2.633 1
1 1032 . 20 1 1 A 96 96 GLU H H 96 9.300 8.684 0.616 1
1 1033 . 20 1 1 A 96 96 GLU HA H 96 5.000 5.121 -0.121 1
1 1038 . 20 1 1 A 96 96 GLU CA C 96 54.300 54.532 -0.232 1
1 1039 . 20 1 1 A 96 96 GLU CB C 96 33.800 33.065 0.735 1
1 1041 . 20 1 1 A 96 96 GLU N N 96 122.700 123.692 -0.992 1
1 1042 . 20 1 1 A 97 97 GLU H H 97 9.730 8.902 0.828 1
1 1043 . 20 1 1 A 97 97 GLU HA H 97 4.360 4.623 -0.263 1
1 1048 . 20 1 1 A 97 97 GLU CA C 97 57.600 55.772 1.828 1
1 1049 . 20 1 1 A 97 97 GLU CB C 97 30.000 28.614 1.386 1
1 1051 . 20 1 1 A 97 97 GLU N N 97 126.200 126.100 0.100 1
1 1052 . 20 1 1 A 98 98 ARG H H 98 8.300 7.771 0.529 1
1 1053 . 20 1 1 A 98 98 ARG HA H 98 4.180 4.966 -0.786 1
1 1061 . 20 1 1 A 98 98 ARG CA C 98 56.800 54.773 2.027 1
1 1062 . 20 1 1 A 98 98 ARG CB C 98 30.700 33.936 -3.236 1
1 1065 . 20 1 1 A 98 98 ARG N N 98 126.500 122.349 4.151 1
1 1067 . 20 1 1 A 99 99 GLN H H 99 8.810 8.749 0.061 1
1 1068 . 20 1 1 A 99 99 GLN HA H 99 4.370 4.917 -0.547 1
1 1075 . 20 1 1 A 99 99 GLN CA C 99 55.600 54.982 0.618 1
1 1076 . 20 1 1 A 99 99 GLN CB C 99 29.500 30.384 -0.884 1
1 1078 . 20 1 1 A 99 99 GLN N N 99 123.700 125.772 -2.072 1
1 1080 . 20 1 1 A 100 100 THR H H 100 8.340 9.469 -1.129 1
1 1081 . 20 1 1 A 100 100 THR HA H 100 4.330 4.330 0.000 1
1 1086 . 20 1 1 A 100 100 THR CA C 100 61.700 63.917 -2.217 1
1 1087 . 20 1 1 A 100 100 THR CB C 100 69.800 69.336 0.464 1
1 1089 . 20 1 1 A 100 100 THR N N 100 116.700 121.234 -4.534 1
1 1090 . 20 1 1 A 101 101 VAL H H 101 8.290 7.218 1.072 1
1 1091 . 20 1 1 A 101 101 VAL HA H 101 4.170 4.431 -0.261 1
1 1099 . 20 1 1 A 101 101 VAL CA C 101 61.900 60.920 0.980 1
1 1100 . 20 1 1 A 101 101 VAL CB C 101 32.800 34.812 -2.012 1
1 1103 . 20 1 1 A 101 101 VAL N N 101 122.900 116.606 6.294 1
1 1104 . 20 1 1 A 102 102 SER H H 102 8.490 8.800 -0.310 1
1 1105 . 20 1 1 A 102 102 SER HA H 102 4.470 5.096 -0.626 1
1 1108 . 20 1 1 A 102 102 SER CA C 102 58.000 56.708 1.292 1
1 1109 . 20 1 1 A 102 102 SER CB C 102 63.600 65.314 -1.714 1
1 1110 . 20 1 1 A 102 102 SER N N 102 120.700 122.492 -1.792 1
1 1111 . 20 1 1 A 103 103 VAL H H 103 8.240 9.177 -0.937 1
1 1112 . 20 1 1 A 103 103 VAL HA H 103 4.420 4.794 -0.374 1
1 1120 . 20 1 1 A 103 103 VAL CA C 103 59.700 58.737 0.963 1
1 1121 . 20 1 1 A 103 103 VAL CB C 103 32.700 33.789 -1.089 1
1 1124 . 20 1 1 A 103 103 VAL N N 103 123.900 127.775 -3.875 1
1 1125 . 20 1 1 A 104 104 PRO HA H 104 4.420 4.934 -0.514 1
1 1132 . 20 1 1 A 104 104 PRO CA C 104 63.000 62.115 0.885 1
1 1133 . 20 1 1 A 104 104 PRO CB C 104 32.000 31.521 0.479 1
1 1136 . 20 1 1 A 105 105 VAL H H 105 8.340 8.463 -0.123 1
1 1137 . 20 1 1 A 105 105 VAL HA H 105 4.130 4.585 -0.455 1
1 1145 . 20 1 1 A 105 105 VAL CA C 105 62.200 60.361 1.839 1
1 1146 . 20 1 1 A 105 105 VAL CB C 105 32.600 33.980 -1.380 1
1 1149 . 20 1 1 A 105 105 VAL N N 105 121.000 122.725 -1.725 1
1 1150 . 20 1 1 A 106 106 THR H H 106 8.210 8.991 -0.781 1
1 1151 . 20 1 1 A 106 106 THR HA H 106 4.380 4.686 -0.306 1
1 1156 . 20 1 1 A 106 106 THR CA C 106 61.400 62.313 -0.913 1
1 1157 . 20 1 1 A 106 106 THR CB C 106 70.000 68.688 1.312 1
1 1159 . 20 1 1 A 106 106 THR N N 106 118.700 125.364 -6.664 1
1 1160 . 20 1 1 A 107 107 VAL H H 107 8.280 9.092 -0.812 1
1 1161 . 20 1 1 A 107 107 VAL HA H 107 4.050 4.468 -0.418 1
1 1169 . 20 1 1 A 107 107 VAL CA C 107 62.600 61.032 1.568 1
1 1170 . 20 1 1 A 107 107 VAL CB C 107 32.600 34.280 -1.680 1
1 1173 . 20 1 1 A 107 107 VAL N N 107 122.700 127.597 -4.897 1
1 1174 . 20 1 1 A 108 108 GLU H H 108 8.500 8.770 -0.270 1
1 1175 . 20 1 1 A 108 108 GLU HA H 108 4.230 4.703 -0.473 1
1 1180 . 20 1 1 A 108 108 GLU CA C 108 56.600 55.860 0.740 1
1 1181 . 20 1 1 A 108 108 GLU CB C 108 30.000 30.867 -0.867 1
1 1183 . 20 1 1 A 108 108 GLU N N 108 124.100 127.743 -3.643 1
1 1184 . 20 1 1 A 109 109 MET H H 109 8.570 8.979 -0.409 1
1 1185 . 20 1 1 A 109 109 MET HA H 109 4.460 5.154 -0.694 1
1 1188 . 20 1 1 A 109 109 MET CA C 109 55.300 53.758 1.542 1
1 1189 . 20 1 1 A 109 109 MET CB C 109 26.800 34.747 -7.947 1
1 1190 . 20 1 1 A 109 109 MET N N 109 121.300 127.359 -6.059 1
1 1191 . 20 1 1 A 110 110 ILE H H 110 8.280 8.636 -0.356 1
1 1192 . 20 1 1 A 110 110 ILE HA H 110 4.080 4.525 -0.445 1
1 1202 . 20 1 1 A 110 110 ILE CA C 110 61.400 59.397 2.003 1
1 1203 . 20 1 1 A 110 110 ILE CB C 110 38.700 39.698 -0.998 1
1 1207 . 20 1 1 A 110 110 ILE N N 110 122.600 122.561 0.039 1
1 1208 . 20 1 1 A 111 111 ASN H H 111 8.590 8.692 -0.102 1
1 1209 . 20 1 1 A 111 111 ASN HA H 111 4.690 5.034 -0.344 1
1 1214 . 20 1 1 A 111 111 ASN CA C 111 53.000 52.157 0.843 1
1 1215 . 20 1 1 A 111 111 ASN CB C 111 38.600 38.757 -0.157 1
1 1216 . 20 1 1 A 111 111 ASN N N 111 122.800 120.278 2.522 1
1 1218 . 20 1 1 A 112 112 LEU H H 112 8.340 8.867 -0.527 1
1 1219 . 20 1 1 A 112 112 LEU HA H 112 4.240 4.421 -0.181 1
1 1229 . 20 1 1 A 112 112 LEU CA C 112 55.400 56.856 -1.456 1
1 1230 . 20 1 1 A 112 112 LEU CB C 112 42.100 43.692 -1.592 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 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 110 1.195 1
3 1 1 1 "RMS(OBS, PRED)" CB 102 1.732 1
4 1 1 1 "RMS(OBS, PRED)" H 104 0.450 1
5 1 1 1 "RMS(OBS, PRED)" HA 118 0.391 1
6 1 1 1 "RMS(OBS, PRED)" N 103 3.093 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 110 1.213 1
9 1 2 1 "RMS(OBS, PRED)" CB 102 1.485 1
10 1 2 1 "RMS(OBS, PRED)" H 104 0.433 1
11 1 2 1 "RMS(OBS, PRED)" HA 118 0.339 1
12 1 2 1 "RMS(OBS, PRED)" N 103 3.231 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 110 1.196 1
15 1 3 1 "RMS(OBS, PRED)" CB 102 1.476 1
16 1 3 1 "RMS(OBS, PRED)" H 104 0.483 1
17 1 3 1 "RMS(OBS, PRED)" HA 118 0.354 1
18 1 3 1 "RMS(OBS, PRED)" N 103 3.363 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 110 1.110 1
21 1 4 1 "RMS(OBS, PRED)" CB 102 1.519 1
22 1 4 1 "RMS(OBS, PRED)" H 104 0.469 1
23 1 4 1 "RMS(OBS, PRED)" HA 118 0.355 1
24 1 4 1 "RMS(OBS, PRED)" N 103 3.162 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 110 1.004 1
27 1 5 1 "RMS(OBS, PRED)" CB 102 1.498 1
28 1 5 1 "RMS(OBS, PRED)" H 104 0.458 1
29 1 5 1 "RMS(OBS, PRED)" HA 118 0.360 1
30 1 5 1 "RMS(OBS, PRED)" N 103 2.875 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 110 0.922 1
33 1 6 1 "RMS(OBS, PRED)" CB 102 1.625 1
34 1 6 1 "RMS(OBS, PRED)" H 104 0.470 1
35 1 6 1 "RMS(OBS, PRED)" HA 118 0.368 1
36 1 6 1 "RMS(OBS, PRED)" N 103 3.327 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 110 1.046 1
39 1 7 1 "RMS(OBS, PRED)" CB 102 1.616 1
40 1 7 1 "RMS(OBS, PRED)" H 104 0.511 1
41 1 7 1 "RMS(OBS, PRED)" HA 118 0.367 1
42 1 7 1 "RMS(OBS, PRED)" N 103 3.116 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 110 1.172 1
45 1 8 1 "RMS(OBS, PRED)" CB 102 1.723 1
46 1 8 1 "RMS(OBS, PRED)" H 104 0.505 1
47 1 8 1 "RMS(OBS, PRED)" HA 118 0.382 1
48 1 8 1 "RMS(OBS, PRED)" N 103 3.244 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 110 1.041 1
51 1 9 1 "RMS(OBS, PRED)" CB 102 1.509 1
52 1 9 1 "RMS(OBS, PRED)" H 104 0.451 1
53 1 9 1 "RMS(OBS, PRED)" HA 118 0.364 1
54 1 9 1 "RMS(OBS, PRED)" N 103 2.686 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 110 0.974 1
57 1 10 1 "RMS(OBS, PRED)" CB 102 1.477 1
58 1 10 1 "RMS(OBS, PRED)" H 104 0.530 1
59 1 10 1 "RMS(OBS, PRED)" HA 118 0.322 1
60 1 10 1 "RMS(OBS, PRED)" N 103 2.832 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 110 0.951 1
63 1 11 1 "RMS(OBS, PRED)" CB 102 1.655 1
64 1 11 1 "RMS(OBS, PRED)" H 104 0.474 1
65 1 11 1 "RMS(OBS, PRED)" HA 118 0.339 1
66 1 11 1 "RMS(OBS, PRED)" N 103 2.930 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 110 1.053 1
69 1 12 1 "RMS(OBS, PRED)" CB 102 1.649 1
70 1 12 1 "RMS(OBS, PRED)" H 104 0.478 1
71 1 12 1 "RMS(OBS, PRED)" HA 118 0.378 1
72 1 12 1 "RMS(OBS, PRED)" N 103 3.161 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 110 1.185 1
75 1 13 1 "RMS(OBS, PRED)" CB 102 1.501 1
76 1 13 1 "RMS(OBS, PRED)" H 104 0.460 1
77 1 13 1 "RMS(OBS, PRED)" HA 118 0.385 1
78 1 13 1 "RMS(OBS, PRED)" N 103 2.762 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 110 1.084 1
81 1 14 1 "RMS(OBS, PRED)" CB 102 1.509 1
82 1 14 1 "RMS(OBS, PRED)" H 104 0.518 1
83 1 14 1 "RMS(OBS, PRED)" HA 118 0.365 1
84 1 14 1 "RMS(OBS, PRED)" N 103 3.042 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 110 1.104 1
87 1 15 1 "RMS(OBS, PRED)" CB 102 1.480 1
88 1 15 1 "RMS(OBS, PRED)" H 104 0.488 1
89 1 15 1 "RMS(OBS, PRED)" HA 118 0.335 1
90 1 15 1 "RMS(OBS, PRED)" N 103 2.920 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 110 1.032 1
93 1 16 1 "RMS(OBS, PRED)" CB 102 1.408 1
94 1 16 1 "RMS(OBS, PRED)" H 104 0.482 1
95 1 16 1 "RMS(OBS, PRED)" HA 118 0.308 1
96 1 16 1 "RMS(OBS, PRED)" N 103 3.250 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 110 1.309 1
99 1 17 1 "RMS(OBS, PRED)" CB 102 1.566 1
100 1 17 1 "RMS(OBS, PRED)" H 104 0.465 1
101 1 17 1 "RMS(OBS, PRED)" HA 118 0.359 1
102 1 17 1 "RMS(OBS, PRED)" N 103 3.311 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 110 1.121 1
105 1 18 1 "RMS(OBS, PRED)" CB 102 1.667 1
106 1 18 1 "RMS(OBS, PRED)" H 104 0.455 1
107 1 18 1 "RMS(OBS, PRED)" HA 118 0.326 1
108 1 18 1 "RMS(OBS, PRED)" N 103 2.922 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 110 1.128 1
111 1 19 1 "RMS(OBS, PRED)" CB 102 1.574 1
112 1 19 1 "RMS(OBS, PRED)" H 104 0.512 1
113 1 19 1 "RMS(OBS, PRED)" HA 118 0.382 1
114 1 19 1 "RMS(OBS, PRED)" N 103 3.104 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 110 1.140 1
117 1 20 1 "RMS(OBS, PRED)" CB 102 1.546 1
118 1 20 1 "RMS(OBS, PRED)" H 104 0.501 1
119 1 20 1 "RMS(OBS, PRED)" HA 118 0.372 1
120 1 20 1 "RMS(OBS, PRED)" N 103 3.016 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 3 3 THR HA H 3 4.250 4.471 -0.221 2
1 6 . 1 1 A 3 3 THR CA C 3 62.000 61.357 0.643 2
1 7 . 1 1 A 3 3 THR CB C 3 69.700 69.825 -0.125 2
1 9 . 1 1 A 4 4 PHE H H 4 8.440 8.428 0.012 2
1 10 . 1 1 A 4 4 PHE HA H 4 4.650 4.860 -0.210 2
1 17 . 1 1 A 4 4 PHE CA C 4 57.700 57.412 0.288 2
1 18 . 1 1 A 4 4 PHE CB C 4 39.400 40.886 -1.486 2
1 21 . 1 1 A 4 4 PHE N N 4 122.400 122.454 -0.054 2
1 22 . 1 1 A 5 5 ASP H H 5 8.500 8.777 -0.277 2
1 23 . 1 1 A 5 5 ASP HA H 5 4.600 4.706 -0.106 2
1 26 . 1 1 A 5 5 ASP CA C 5 53.900 53.522 0.378 2
1 27 . 1 1 A 5 5 ASP CB C 5 40.700 40.696 0.004 2
1 28 . 1 1 A 5 5 ASP N N 5 121.800 123.025 -1.225 2
1 29 . 1 1 A 6 6 HIS H H 6 8.240 8.315 -0.075 2
1 30 . 1 1 A 6 6 HIS HA H 6 4.780 4.877 -0.097 2
1 34 . 1 1 A 6 6 HIS CA C 6 55.300 55.885 -0.584 2
1 35 . 1 1 A 6 6 HIS CB C 6 31.500 30.043 1.457 2
1 37 . 1 1 A 6 6 HIS N N 6 120.400 121.318 -0.918 2
1 38 . 1 1 A 7 7 GLY H H 7 8.660 9.005 -0.345 2
1 39 . 1 1 A 7 7 GLY HA2 H 7 4.500 4.161 0.339 2
1 40 . 1 1 A 7 7 GLY HA3 H 7 3.580 4.200 -0.620 2
1 41 . 1 1 A 7 7 GLY CA C 7 44.200 44.555 -0.355 2
1 42 . 1 1 A 7 7 GLY N N 7 109.200 109.411 -0.211 2
1 43 . 1 1 A 8 8 ASN H H 8 8.040 8.654 -0.614 2
1 44 . 1 1 A 8 8 ASN HA H 8 5.500 5.807 -0.307 2
1 49 . 1 1 A 8 8 ASN CA C 8 52.600 51.826 0.774 2
1 50 . 1 1 A 8 8 ASN CB C 8 42.700 42.142 0.558 2
1 51 . 1 1 A 8 8 ASN N N 8 115.100 118.441 -3.341 2
1 53 . 1 1 A 9 9 LEU H H 9 8.850 8.875 -0.025 2
1 54 . 1 1 A 9 9 LEU HA H 9 4.530 4.790 -0.260 2
1 64 . 1 1 A 9 9 LEU CA C 9 54.700 54.265 0.435 2
1 65 . 1 1 A 9 9 LEU CB C 9 47.000 45.872 1.128 2
1 69 . 1 1 A 9 9 LEU N N 9 123.500 123.669 -0.169 2
1 70 . 1 1 A 10 10 SER H H 10 8.850 8.864 -0.014 2
1 71 . 1 1 A 10 10 SER HA H 10 5.030 4.855 0.175 2
1 74 . 1 1 A 10 10 SER CA C 10 57.000 57.577 -0.577 2
1 75 . 1 1 A 10 10 SER CB C 10 63.900 64.041 -0.141 2
1 76 . 1 1 A 10 10 SER N N 10 121.800 121.448 0.352 2
1 77 . 1 1 A 11 11 LEU H H 11 8.820 8.907 -0.087 2
1 78 . 1 1 A 11 11 LEU HA H 11 4.460 4.347 0.113 2
1 88 . 1 1 A 11 11 LEU CA C 11 54.400 55.620 -1.220 2
1 89 . 1 1 A 11 11 LEU CB C 11 41.900 42.833 -0.933 2
1 93 . 1 1 A 11 11 LEU N N 11 127.300 126.518 0.782 2
1 94 . 1 1 A 12 12 GLY H H 12 8.140 7.691 0.449 2
1 95 . 1 1 A 12 12 GLY HA2 H 12 3.720 4.087 -0.367 2
1 96 . 1 1 A 12 12 GLY HA3 H 12 4.080 4.108 -0.028 2
1 97 . 1 1 A 12 12 GLY CA C 12 44.700 44.415 0.285 2
1 98 . 1 1 A 12 12 GLY N N 12 108.000 105.962 2.038 2
1 99 . 1 1 A 13 13 GLU H H 13 8.210 8.387 -0.177 2
1 100 . 1 1 A 13 13 GLU HA H 13 4.560 5.118 -0.558 2
1 105 . 1 1 A 13 13 GLU CA C 13 55.700 55.946 -0.246 2
1 106 . 1 1 A 13 13 GLU CB C 13 30.300 30.313 -0.013 2
1 108 . 1 1 A 13 13 GLU N N 13 119.000 120.625 -1.625 2
1 109 . 1 1 A 14 14 LEU H H 14 9.360 9.300 0.060 2
1 110 . 1 1 A 14 14 LEU HA H 14 4.720 4.938 -0.218 2
1 120 . 1 1 A 14 14 LEU CA C 14 53.400 53.656 -0.256 2
1 121 . 1 1 A 14 14 LEU CB C 14 44.200 43.966 0.234 2
1 125 . 1 1 A 14 14 LEU N N 14 126.700 126.913 -0.213 2
1 126 . 1 1 A 15 15 GLU H H 15 8.680 8.560 0.120 2
1 127 . 1 1 A 15 15 GLU HA H 15 4.240 4.652 -0.412 2
1 132 . 1 1 A 15 15 GLU CA C 15 56.900 56.315 0.585 2
1 133 . 1 1 A 15 15 GLU CB C 15 29.900 30.478 -0.578 2
1 135 . 1 1 A 15 15 GLU N N 15 120.600 122.657 -2.057 2
1 136 . 1 1 A 16 16 LEU H H 16 7.740 8.488 -0.748 2
1 137 . 1 1 A 16 16 LEU HA H 16 4.360 4.868 -0.508 2
1 147 . 1 1 A 16 16 LEU CA C 16 54.000 54.224 -0.224 2
1 148 . 1 1 A 16 16 LEU CB C 16 43.300 43.443 -0.143 2
1 152 . 1 1 A 16 16 LEU N N 16 125.200 126.775 -1.575 2
1 153 . 1 1 A 17 17 THR H H 17 8.500 9.133 -0.633 2
1 154 . 1 1 A 17 17 THR HA H 17 4.420 4.901 -0.481 2
1 159 . 1 1 A 17 17 THR CA C 17 63.100 62.109 0.991 2
1 160 . 1 1 A 17 17 THR CB C 17 69.600 70.037 -0.437 2
1 162 . 1 1 A 17 17 THR N N 17 127.300 123.621 3.679 2
1 163 . 1 1 A 18 18 VAL H H 18 8.840 9.189 -0.349 2
1 164 . 1 1 A 18 18 VAL HA H 18 4.490 4.827 -0.337 2
1 172 . 1 1 A 18 18 VAL CA C 18 61.100 61.139 -0.039 2
1 173 . 1 1 A 18 18 VAL CB C 18 33.300 33.453 -0.153 2
1 176 . 1 1 A 18 18 VAL N N 18 127.000 127.706 -0.706 2
1 177 . 1 1 A 19 19 LEU H H 19 8.830 9.372 -0.542 2
1 178 . 1 1 A 19 19 LEU HA H 19 4.920 4.997 -0.077 2
1 188 . 1 1 A 19 19 LEU CA C 19 53.400 53.729 -0.329 2
1 189 . 1 1 A 19 19 LEU CB C 19 41.200 42.477 -1.277 2
1 193 . 1 1 A 19 19 LEU N N 19 128.500 128.715 -0.215 2
1 194 . 1 1 A 20 20 TYR H H 20 8.470 8.790 -0.320 2
1 195 . 1 1 A 20 20 TYR HA H 20 4.280 5.189 -0.909 2
1 202 . 1 1 A 20 20 TYR CA C 20 55.600 56.250 -0.650 2
1 203 . 1 1 A 20 20 TYR CB C 20 38.200 40.910 -2.710 2
1 206 . 1 1 A 20 20 TYR N N 20 120.300 121.832 -1.532 2
1 207 . 1 1 A 21 21 ASP H H 21 8.920 8.635 0.285 2
1 208 . 1 1 A 21 21 ASP HA H 21 4.640 4.747 -0.107 2
1 211 . 1 1 A 21 21 ASP CA C 21 53.000 53.196 -0.196 2
1 212 . 1 1 A 21 21 ASP CB C 21 39.300 41.566 -2.266 2
1 213 . 1 1 A 21 21 ASP N N 21 118.600 121.680 -3.080 2
1 214 . 1 1 A 22 22 GLU H H 22 7.930 8.695 -0.765 2
1 215 . 1 1 A 22 22 GLU HA H 22 4.250 4.382 -0.132 2
1 220 . 1 1 A 22 22 GLU CA C 22 57.000 57.597 -0.597 2
1 221 . 1 1 A 22 22 GLU CB C 22 29.000 29.211 -0.211 2
1 223 . 1 1 A 22 22 GLU N N 22 126.600 124.215 2.385 2
1 224 . 1 1 A 23 23 GLU H H 23 8.060 8.091 -0.031 2
1 225 . 1 1 A 23 23 GLU HA H 23 4.130 4.178 -0.048 2
1 230 . 1 1 A 23 23 GLU CA C 23 57.800 58.339 -0.539 2
1 231 . 1 1 A 23 23 GLU CB C 23 29.500 29.555 -0.055 2
1 233 . 1 1 A 23 23 GLU N N 23 117.800 119.432 -1.632 2
1 234 . 1 1 A 24 24 ARG H H 24 7.070 7.818 -0.748 2
1 235 . 1 1 A 24 24 ARG HA H 24 4.170 4.282 -0.112 2
1 243 . 1 1 A 24 24 ARG CA C 24 56.500 56.903 -0.403 2
1 244 . 1 1 A 24 24 ARG CB C 24 33.500 31.821 1.679 2
1 247 . 1 1 A 24 24 ARG N N 24 116.700 117.843 -1.143 2
1 249 . 1 1 A 25 25 TYR H H 25 8.150 7.700 0.450 2
1 250 . 1 1 A 25 25 TYR HA H 25 5.470 5.259 0.211 2
1 257 . 1 1 A 25 25 TYR CA C 25 56.900 56.993 -0.093 2
1 258 . 1 1 A 25 25 TYR CB C 25 43.100 41.865 1.235 2
1 261 . 1 1 A 25 25 TYR N N 25 116.800 116.693 0.107 2
1 262 . 1 1 A 26 26 ASP H H 26 9.120 8.909 0.211 2
1 263 . 1 1 A 26 26 ASP HA H 26 5.250 5.394 -0.144 2
1 266 . 1 1 A 26 26 ASP CA C 26 52.400 52.686 -0.286 2
1 267 . 1 1 A 26 26 ASP CB C 26 44.500 44.720 -0.220 2
1 268 . 1 1 A 26 26 ASP N N 26 116.900 120.866 -3.966 2
1 269 . 1 1 A 27 27 ILE H H 27 8.640 8.857 -0.217 2
1 270 . 1 1 A 27 27 ILE HA H 27 4.100 4.150 -0.050 2
1 280 . 1 1 A 27 27 ILE CA C 27 61.400 61.133 0.267 2
1 281 . 1 1 A 27 27 ILE CB C 27 38.600 36.968 1.632 2
1 285 . 1 1 A 27 27 ILE N N 27 121.200 123.855 -2.655 2
1 286 . 1 1 A 28 28 VAL H H 28 8.840 8.893 -0.053 2
1 287 . 1 1 A 28 28 VAL HA H 28 3.930 4.022 -0.092 2
1 295 . 1 1 A 28 28 VAL CA C 28 63.800 64.038 -0.238 2
1 296 . 1 1 A 28 28 VAL CB C 28 32.900 32.584 0.316 2
1 299 . 1 1 A 28 28 VAL N N 28 128.700 129.059 -0.359 2
1 300 . 1 1 A 29 29 GLU H H 29 7.180 7.517 -0.337 2
1 301 . 1 1 A 29 29 GLU HA H 29 4.490 4.775 -0.285 2
1 306 . 1 1 A 29 29 GLU CA C 29 55.200 54.992 0.208 2
1 307 . 1 1 A 29 29 GLU CB C 29 32.900 33.585 -0.685 2
1 309 . 1 1 A 29 29 GLU N N 29 116.000 117.697 -1.697 2
1 310 . 1 1 A 30 30 GLN H H 30 8.760 8.756 0.004 2
1 311 . 1 1 A 30 30 GLN HA H 30 5.450 5.049 0.401 2
1 314 . 1 1 A 30 30 GLN CA C 30 54.200 54.749 -0.549 2
1 315 . 1 1 A 30 30 GLN CB C 30 33.100 31.814 1.286 2
1 316 . 1 1 A 30 30 GLN N N 30 117.200 119.810 -2.610 2
1 317 . 1 1 A 31 31 THR H H 31 8.200 8.690 -0.490 2
1 318 . 1 1 A 31 31 THR HA H 31 4.160 4.393 -0.233 2
1 323 . 1 1 A 31 31 THR CA C 31 64.500 63.000 1.500 2
1 324 . 1 1 A 31 31 THR CB C 31 70.300 68.852 1.448 2
1 326 . 1 1 A 31 31 THR N N 31 119.400 117.379 2.022 2
1 327 . 1 1 A 32 32 GLU H H 32 9.230 8.877 0.353 2
1 328 . 1 1 A 32 32 GLU HA H 32 4.170 4.294 -0.124 2
1 333 . 1 1 A 32 32 GLU CA C 32 60.000 58.943 1.057 2
1 334 . 1 1 A 32 32 GLU CB C 32 31.000 30.452 0.548 2
1 336 . 1 1 A 32 32 GLU N N 32 129.600 126.963 2.637 2
1 337 . 1 1 A 33 33 THR H H 33 7.510 8.039 -0.529 2
1 338 . 1 1 A 33 33 THR HA H 33 5.320 5.228 0.093 2
1 343 . 1 1 A 33 33 THR CA C 33 58.500 60.013 -1.513 2
1 344 . 1 1 A 33 33 THR CB C 33 73.100 71.934 1.166 2
1 346 . 1 1 A 33 33 THR N N 33 107.500 109.711 -2.211 2
1 347 . 1 1 A 34 34 VAL H H 34 8.700 8.952 -0.252 2
1 348 . 1 1 A 34 34 VAL HA H 34 4.670 4.965 -0.295 2
1 356 . 1 1 A 34 34 VAL CA C 34 59.200 59.173 0.027 2
1 357 . 1 1 A 34 34 VAL CB C 34 35.200 35.431 -0.231 2
1 360 . 1 1 A 34 34 VAL N N 34 112.000 118.881 -6.881 2
1 361 . 1 1 A 35 35 GLN H H 35 8.930 8.782 0.148 2
1 362 . 1 1 A 35 35 GLN HA H 35 4.790 5.096 -0.306 2
1 369 . 1 1 A 35 35 GLN CA C 35 54.800 54.894 -0.094 2
1 370 . 1 1 A 35 35 GLN CB C 35 29.900 30.657 -0.757 2
1 372 . 1 1 A 35 35 GLN N N 35 123.200 123.153 0.047 2
1 374 . 1 1 A 36 36 VAL H H 36 7.940 8.568 -0.628 2
1 375 . 1 1 A 36 36 VAL HA H 36 4.850 5.098 -0.248 2
1 383 . 1 1 A 36 36 VAL CA C 36 61.300 60.604 0.696 2
1 384 . 1 1 A 36 36 VAL CB C 36 34.200 34.142 0.058 2
1 387 . 1 1 A 36 36 VAL N N 36 124.300 125.924 -1.624 2
1 388 . 1 1 A 37 37 ASP H H 37 8.670 9.287 -0.617 2
1 389 . 1 1 A 37 37 ASP HA H 37 5.240 5.331 -0.091 2
1 392 . 1 1 A 37 37 ASP CA C 37 53.000 52.627 0.373 2
1 393 . 1 1 A 37 37 ASP CB C 37 44.700 44.493 0.207 2
1 394 . 1 1 A 37 37 ASP N N 37 126.900 127.641 -0.741 2
1 395 . 1 1 A 38 38 LEU H H 38 8.850 9.183 -0.333 2
1 396 . 1 1 A 38 38 LEU HA H 38 5.160 5.225 -0.065 2
1 406 . 1 1 A 38 38 LEU CA C 38 52.400 53.226 -0.826 2
1 407 . 1 1 A 38 38 LEU CB C 38 46.100 44.538 1.562 2
1 411 . 1 1 A 38 38 LEU N N 38 119.100 124.529 -5.429 2
1 412 . 1 1 A 39 39 GLU H H 39 8.380 8.941 -0.561 2
1 413 . 1 1 A 39 39 GLU HA H 39 5.210 5.361 -0.151 2
1 418 . 1 1 A 39 39 GLU CA C 39 54.600 54.691 -0.091 2
1 419 . 1 1 A 39 39 GLU CB C 39 33.900 33.124 0.776 2
1 421 . 1 1 A 39 39 GLU N N 39 120.800 121.862 -1.062 2
1 422 . 1 1 A 40 40 GLY H H 40 8.110 8.133 -0.023 2
1 423 . 1 1 A 40 40 GLY HA2 H 40 4.230 4.079 0.151 2
1 424 . 1 1 A 40 40 GLY HA3 H 40 3.730 4.141 -0.411 2
1 425 . 1 1 A 40 40 GLY CA C 40 45.000 44.624 0.376 2
1 426 . 1 1 A 40 40 GLY N N 40 110.000 109.631 0.369 2
1 427 . 1 1 A 41 41 PRO HA H 41 4.380 4.687 -0.307 2
1 434 . 1 1 A 41 41 PRO CA C 41 62.200 63.017 -0.817 2
1 435 . 1 1 A 41 41 PRO CB C 41 32.400 31.941 0.459 2
1 438 . 1 1 A 42 42 ARG H H 42 9.020 8.562 0.458 2
1 439 . 1 1 A 42 42 ARG HA H 42 3.790 3.958 -0.168 2
1 446 . 1 1 A 42 42 ARG CA C 42 60.400 58.943 1.457 2
1 447 . 1 1 A 42 42 ARG CB C 42 29.900 29.741 0.159 2
1 450 . 1 1 A 42 42 ARG N N 42 125.500 123.572 1.928 2
1 451 . 1 1 A 43 43 GLY H H 43 9.310 8.393 0.917 2
1 452 . 1 1 A 43 43 GLY HA2 H 43 3.890 3.733 0.157 2
1 453 . 1 1 A 43 43 GLY HA3 H 43 3.890 3.743 0.147 2
1 454 . 1 1 A 43 43 GLY CA C 43 47.000 47.558 -0.558 2
1 455 . 1 1 A 43 43 GLY N N 43 107.200 108.641 -1.441 2
1 456 . 1 1 A 44 44 VAL H H 44 6.930 8.024 -1.094 2
1 457 . 1 1 A 44 44 VAL HA H 44 3.800 3.794 0.006 2
1 465 . 1 1 A 44 44 VAL CA C 44 65.100 65.994 -0.894 2
1 466 . 1 1 A 44 44 VAL CB C 44 32.000 31.856 0.144 2
1 469 . 1 1 A 44 44 VAL N N 44 121.100 122.443 -1.343 2
1 470 . 1 1 A 45 45 LEU H H 45 7.830 7.760 0.070 2
1 471 . 1 1 A 45 45 LEU HA H 45 3.890 3.966 -0.077 2
1 481 . 1 1 A 45 45 LEU CA C 45 58.100 57.973 0.127 2
1 482 . 1 1 A 45 45 LEU CB C 45 41.800 41.376 0.424 2
1 486 . 1 1 A 45 45 LEU N N 45 120.700 119.385 1.315 2
1 487 . 1 1 A 46 46 THR H H 46 8.340 8.139 0.201 2
1 488 . 1 1 A 46 46 THR HA H 46 3.850 3.836 0.014 2
1 493 . 1 1 A 46 46 THR CA C 46 66.800 66.672 0.128 2
1 494 . 1 1 A 46 46 THR CB C 46 68.800 67.988 0.812 2
1 496 . 1 1 A 46 46 THR N N 46 114.900 115.965 -1.065 2
1 497 . 1 1 A 47 47 VAL H H 47 7.210 7.754 -0.544 2
1 498 . 1 1 A 47 47 VAL HA H 47 3.820 3.871 -0.051 2
1 506 . 1 1 A 47 47 VAL CA C 47 65.600 66.667 -1.067 2
1 507 . 1 1 A 47 47 VAL CB C 47 31.900 31.706 0.194 2
1 510 . 1 1 A 47 47 VAL N N 47 119.600 121.297 -1.698 2
1 511 . 1 1 A 48 48 PHE H H 48 8.140 8.558 -0.418 2
1 512 . 1 1 A 48 48 PHE HA H 48 4.210 4.129 0.081 2
1 520 . 1 1 A 48 48 PHE CA C 48 61.100 60.925 0.175 2
1 521 . 1 1 A 48 48 PHE CB C 48 39.200 39.118 0.082 2
1 525 . 1 1 A 48 48 PHE N N 48 120.600 120.346 0.254 2
1 526 . 1 1 A 49 49 ARG H H 49 8.150 8.050 0.101 2
1 527 . 1 1 A 49 49 ARG HA H 49 3.710 4.069 -0.359 2
1 534 . 1 1 A 49 49 ARG CA C 49 58.500 58.680 -0.180 2
1 535 . 1 1 A 49 49 ARG CB C 49 30.000 29.880 0.120 2
1 538 . 1 1 A 49 49 ARG N N 49 117.500 118.199 -0.699 2
1 539 . 1 1 A 50 50 PHE H H 50 7.270 7.368 -0.098 2
1 540 . 1 1 A 50 50 PHE HA H 50 4.620 4.330 0.290 2
1 548 . 1 1 A 50 50 PHE CA C 50 57.700 59.755 -2.055 2
1 549 . 1 1 A 50 50 PHE CB C 50 39.600 39.569 0.031 2
1 553 . 1 1 A 50 50 PHE N N 50 115.500 116.205 -0.705 2
1 554 . 1 1 A 51 51 ALA H H 51 7.620 7.302 0.318 2
1 555 . 1 1 A 51 51 ALA HA H 51 4.320 4.391 -0.071 2
1 559 . 1 1 A 51 51 ALA CA C 51 51.700 51.554 0.146 2
1 560 . 1 1 A 51 51 ALA CB C 51 19.300 20.311 -1.011 2
1 561 . 1 1 A 51 51 ALA N N 51 124.200 121.136 3.064 2
1 562 . 1 1 A 52 52 ARG H H 52 8.570 8.390 0.180 2
1 563 . 1 1 A 52 52 ARG HA H 52 4.270 4.536 -0.266 2
1 570 . 1 1 A 52 52 ARG CA C 52 54.700 54.300 0.400 2
1 571 . 1 1 A 52 52 ARG CB C 52 29.300 29.481 -0.181 2
1 574 . 1 1 A 52 52 ARG N N 52 123.500 121.028 2.472 2
1 575 . 1 1 A 53 53 PRO HA H 53 4.240 4.097 0.143 2
1 582 . 1 1 A 53 53 PRO CA C 53 63.600 62.893 0.707 2
1 583 . 1 1 A 53 53 PRO CB C 53 31.600 31.736 -0.136 2
1 586 . 1 1 A 54 54 SER H H 54 8.100 8.548 -0.448 2
1 587 . 1 1 A 54 54 SER HA H 54 4.390 4.664 -0.274 2
1 590 . 1 1 A 54 54 SER CA C 54 57.200 57.581 -0.381 2
1 591 . 1 1 A 54 54 SER CB C 54 63.100 64.653 -1.553 2
1 592 . 1 1 A 54 54 SER N N 54 117.200 117.037 0.163 2
1 593 . 1 1 A 55 55 TYR H H 55 6.640 7.053 -0.413 2
1 594 . 1 1 A 55 55 TYR HA H 55 5.030 5.277 -0.247 2
1 601 . 1 1 A 55 55 TYR CA C 55 53.900 56.167 -2.267 2
1 602 . 1 1 A 55 55 TYR CB C 55 39.200 40.922 -1.722 2
1 605 . 1 1 A 55 55 TYR N N 55 119.200 118.983 0.217 2
1 606 . 1 1 A 56 56 GLU H H 56 8.890 9.044 -0.154 2
1 607 . 1 1 A 56 56 GLU HA H 56 4.740 5.156 -0.416 2
1 612 . 1 1 A 56 56 GLU CA C 56 55.700 55.086 0.614 2
1 613 . 1 1 A 56 56 GLU CB C 56 35.000 33.864 1.136 2
1 615 . 1 1 A 56 56 GLU N N 56 118.800 122.243 -3.443 2
1 616 . 1 1 A 57 57 VAL H H 57 8.830 8.686 0.144 2
1 617 . 1 1 A 57 57 VAL HA H 57 5.370 4.944 0.426 2
1 625 . 1 1 A 57 57 VAL CA C 57 59.900 61.197 -1.298 2
1 626 . 1 1 A 57 57 VAL CB C 57 33.300 33.572 -0.272 2
1 629 . 1 1 A 57 57 VAL N N 57 117.800 122.676 -4.876 2
1 630 . 1 1 A 58 58 PHE H H 58 8.870 8.604 0.266 2
1 631 . 1 1 A 58 58 PHE HA H 58 6.090 5.899 0.191 2
1 634 . 1 1 A 58 58 PHE CA C 58 55.600 55.926 -0.326 2
1 635 . 1 1 A 58 58 PHE CB C 58 42.700 42.670 0.030 2
1 636 . 1 1 A 58 58 PHE N N 58 120.600 123.419 -2.819 2
1 637 . 1 1 A 59 59 VAL H H 59 8.270 8.733 -0.463 2
1 638 . 1 1 A 59 59 VAL HA H 59 4.730 4.801 -0.071 2
1 646 . 1 1 A 59 59 VAL CA C 59 58.500 60.141 -1.641 2
1 647 . 1 1 A 59 59 VAL CB C 59 34.800 35.313 -0.513 2
1 650 . 1 1 A 59 59 VAL N N 59 108.700 119.441 -10.741 2
1 651 . 1 1 A 60 60 ASP H H 60 9.360 8.891 0.469 2
1 652 . 1 1 A 60 60 ASP HA H 60 5.080 5.062 0.018 2
1 655 . 1 1 A 60 60 ASP CA C 60 52.700 53.162 -0.462 2
1 656 . 1 1 A 60 60 ASP CB C 60 41.100 42.044 -0.944 2
1 657 . 1 1 A 60 60 ASP N N 60 123.000 126.291 -3.291 2
1 658 . 1 1 A 61 61 LEU H H 61 9.230 8.879 0.351 2
1 659 . 1 1 A 61 61 LEU HA H 61 4.670 4.789 -0.119 2
1 669 . 1 1 A 61 61 LEU CA C 61 53.300 53.913 -0.613 2
1 670 . 1 1 A 61 61 LEU CB C 61 40.900 43.026 -2.126 2
1 674 . 1 1 A 61 61 LEU N N 61 128.600 127.302 1.298 2
1 675 . 1 1 A 62 62 THR H H 62 8.720 8.061 0.659 2
1 676 . 1 1 A 62 62 THR HA H 62 3.590 4.245 -0.655 2
1 681 . 1 1 A 62 62 THR CA C 62 67.000 64.664 2.336 2
1 682 . 1 1 A 62 62 THR CB C 62 69.100 68.931 0.169 2
1 684 . 1 1 A 62 62 THR N N 62 115.800 114.209 1.591 2
1 685 . 1 1 A 63 63 GLU H H 63 8.490 7.794 0.696 2
1 686 . 1 1 A 63 63 GLU HA H 63 4.530 4.384 0.146 2
1 691 . 1 1 A 63 63 GLU CA C 63 55.100 56.954 -1.854 2
1 692 . 1 1 A 63 63 GLU CB C 63 29.200 30.358 -1.158 2
1 694 . 1 1 A 63 63 GLU N N 63 118.800 119.855 -1.055 2
1 695 . 1 1 A 64 64 ALA H H 64 7.100 7.414 -0.314 2
1 696 . 1 1 A 64 64 ALA HA H 64 4.130 4.103 0.027 2
1 700 . 1 1 A 64 64 ALA CA C 64 51.500 51.929 -0.429 2
1 701 . 1 1 A 64 64 ALA CB C 64 20.900 19.501 1.399 2
1 702 . 1 1 A 64 64 ALA N N 64 123.700 122.588 1.112 2
1 703 . 1 1 A 65 65 GLY H H 65 7.800 8.338 -0.538 2
1 704 . 1 1 A 65 65 GLY HA2 H 65 4.180 3.684 0.496 2
1 705 . 1 1 A 65 65 GLY HA3 H 65 3.540 3.984 -0.444 2
1 706 . 1 1 A 65 65 GLY CA C 65 42.600 44.963 -2.363 2
1 707 . 1 1 A 65 65 GLY N N 65 106.800 108.176 -1.376 2
1 708 . 1 1 A 66 66 GLU H H 66 8.490 8.278 0.212 2
1 709 . 1 1 A 66 66 GLU HA H 66 3.750 4.498 -0.748 2
1 714 . 1 1 A 66 66 GLU CA C 66 57.400 56.432 0.968 2
1 715 . 1 1 A 66 66 GLU CB C 66 30.300 31.026 -0.726 2
1 717 . 1 1 A 66 66 GLU N N 66 119.900 120.984 -1.084 2
1 718 . 1 1 A 67 67 GLY H H 67 8.470 8.480 -0.010 2
1 719 . 1 1 A 67 67 GLY HA2 H 67 3.770 3.985 -0.215 2
1 720 . 1 1 A 67 67 GLY HA3 H 67 4.390 4.009 0.381 2
1 721 . 1 1 A 67 67 GLY CA C 67 43.400 44.998 -1.598 2
1 722 . 1 1 A 67 67 GLY N N 67 110.800 110.287 0.513 2
1 723 . 1 1 A 68 68 SER H H 68 8.250 8.285 -0.035 2
1 724 . 1 1 A 68 68 SER HA H 68 4.610 4.930 -0.320 2
1 727 . 1 1 A 68 68 SER CA C 68 57.700 57.871 -0.171 2
1 728 . 1 1 A 68 68 SER CB C 68 63.300 64.153 -0.853 2
1 729 . 1 1 A 68 68 SER N N 68 114.500 116.213 -1.713 2
1 730 . 1 1 A 69 69 HIS H H 69 8.780 8.847 -0.067 2
1 731 . 1 1 A 69 69 HIS HA H 69 4.790 5.242 -0.451 2
1 734 . 1 1 A 69 69 HIS CA C 69 55.300 54.451 0.849 2
1 735 . 1 1 A 69 69 HIS CB C 69 33.900 32.992 0.908 2
1 736 . 1 1 A 69 69 HIS N N 69 125.400 124.257 1.143 2
1 737 . 1 1 A 70 70 THR H H 70 8.870 8.805 0.065 2
1 738 . 1 1 A 70 70 THR HA H 70 5.380 5.339 0.041 2
1 743 . 1 1 A 70 70 THR CA C 70 61.600 61.803 -0.203 2
1 744 . 1 1 A 70 70 THR CB C 70 69.400 70.019 -0.619 2
1 746 . 1 1 A 70 70 THR N N 70 121.200 119.171 2.029 2
1 747 . 1 1 A 71 71 VAL H H 71 8.860 8.960 -0.100 2
1 748 . 1 1 A 71 71 VAL HA H 71 4.730 4.970 -0.240 2
1 756 . 1 1 A 71 71 VAL CA C 71 58.900 58.797 0.103 2
1 757 . 1 1 A 71 71 VAL CB C 71 36.000 35.667 0.333 2
1 760 . 1 1 A 71 71 VAL N N 71 122.100 120.263 1.836 2
1 761 . 1 1 A 72 72 ASP H H 72 8.610 8.508 0.102 2
1 762 . 1 1 A 72 72 ASP HA H 72 4.660 4.849 -0.189 2
1 765 . 1 1 A 72 72 ASP CA C 72 55.500 54.164 1.336 2
1 766 . 1 1 A 72 72 ASP CB C 72 40.800 41.511 -0.711 2
1 767 . 1 1 A 72 72 ASP N N 72 124.300 121.853 2.447 2
1 768 . 1 1 A 73 73 VAL H H 73 8.090 8.633 -0.543 2
1 769 . 1 1 A 73 73 VAL HA H 73 3.770 4.260 -0.490 2
1 777 . 1 1 A 73 73 VAL CA C 73 63.600 61.991 1.609 2
1 778 . 1 1 A 73 73 VAL CB C 73 31.600 32.540 -0.940 2
1 781 . 1 1 A 73 73 VAL N N 73 121.400 123.494 -2.094 2
1 782 . 1 1 A 74 74 GLU H H 74 8.900 8.466 0.434 2
1 783 . 1 1 A 74 74 GLU HA H 74 4.370 4.574 -0.204 2
1 788 . 1 1 A 74 74 GLU CA C 74 54.700 55.330 -0.630 2
1 789 . 1 1 A 74 74 GLU CB C 74 33.300 31.528 1.772 2
1 791 . 1 1 A 74 74 GLU N N 74 129.600 127.146 2.454 2
1 792 . 1 1 A 75 75 HIS H H 75 7.940 8.397 -0.457 2
1 793 . 1 1 A 75 75 HIS HA H 75 5.830 5.432 0.398 2
1 796 . 1 1 A 75 75 HIS CA C 75 54.100 53.825 0.275 2
1 797 . 1 1 A 75 75 HIS CB C 75 39.500 33.467 6.033 2
1 798 . 1 1 A 75 75 HIS N N 75 112.800 118.604 -5.804 2
1 799 . 1 1 A 76 76 ARG H H 76 9.210 8.617 0.593 2
1 800 . 1 1 A 76 76 ARG HA H 76 5.170 4.701 0.469 2
1 805 . 1 1 A 76 76 ARG CA C 76 55.300 55.162 0.138 2
1 806 . 1 1 A 76 76 ARG CB C 76 33.400 33.928 -0.528 2
1 808 . 1 1 A 76 76 ARG N N 76 117.100 120.655 -3.555 2
1 809 . 1 1 A 77 77 GLY H H 77 8.740 8.255 0.485 2
1 810 . 1 1 A 77 77 GLY HA2 H 77 4.410 4.095 0.315 2
1 811 . 1 1 A 77 77 GLY HA3 H 77 3.670 4.178 -0.508 2
1 812 . 1 1 A 77 77 GLY CA C 77 45.400 45.612 -0.212 2
1 813 . 1 1 A 77 77 GLY N N 77 107.400 112.441 -5.041 2
1 814 . 1 1 A 78 78 PHE H H 78 7.920 7.656 0.264 2
1 815 . 1 1 A 78 78 PHE HA H 78 4.450 4.777 -0.327 2
1 823 . 1 1 A 78 78 PHE CA C 78 54.200 55.366 -1.166 2
1 824 . 1 1 A 78 78 PHE CB C 78 41.000 39.543 1.457 2
1 828 . 1 1 A 78 78 PHE N N 78 120.200 119.639 0.561 2
1 829 . 1 1 A 79 79 PRO HA H 79 4.470 4.702 -0.232 2
1 836 . 1 1 A 79 79 PRO CA C 79 63.300 62.575 0.725 2
1 837 . 1 1 A 79 79 PRO CB C 79 32.200 32.454 -0.254 2
1 840 . 1 1 A 80 80 GLY H H 80 8.820 8.696 0.124 2
1 841 . 1 1 A 80 80 GLY HA2 H 80 4.020 3.955 0.065 2
1 842 . 1 1 A 80 80 GLY HA3 H 80 3.890 3.991 -0.101 2
1 843 . 1 1 A 80 80 GLY CA C 80 46.600 46.062 0.538 2
1 844 . 1 1 A 80 80 GLY N N 80 110.100 108.934 1.166 2
1 845 . 1 1 A 81 81 ASP H H 81 8.360 8.048 0.312 2
1 846 . 1 1 A 81 81 ASP HA H 81 4.560 4.540 0.020 2
1 849 . 1 1 A 81 81 ASP CA C 81 53.800 56.101 -2.301 2
1 850 . 1 1 A 81 81 ASP CB C 81 40.300 41.665 -1.365 2
1 851 . 1 1 A 81 81 ASP N N 81 114.800 119.907 -5.107 2
1 852 . 1 1 A 82 82 LEU H H 82 7.400 7.409 -0.009 2
1 853 . 1 1 A 82 82 LEU HA H 82 4.720 4.422 0.298 2
1 863 . 1 1 A 82 82 LEU CA C 82 52.800 54.289 -1.489 2
1 864 . 1 1 A 82 82 LEU CB C 82 42.900 42.357 0.543 2
1 868 . 1 1 A 82 82 LEU N N 82 115.500 120.257 -4.757 2
1 869 . 1 1 A 83 83 ALA H H 83 8.930 8.736 0.194 2
1 870 . 1 1 A 83 83 ALA HA H 83 4.530 4.622 -0.092 2
1 874 . 1 1 A 83 83 ALA CA C 83 50.900 51.260 -0.360 2
1 875 . 1 1 A 83 83 ALA CB C 83 19.600 19.388 0.212 2
1 876 . 1 1 A 83 83 ALA N N 83 124.900 123.972 0.928 2
1 877 . 1 1 A 84 84 VAL H H 84 8.570 8.912 -0.342 2
1 878 . 1 1 A 84 84 VAL HA H 84 3.930 4.463 -0.533 2
1 886 . 1 1 A 84 84 VAL CA C 84 61.300 61.588 -0.288 2
1 887 . 1 1 A 84 84 VAL CB C 84 32.800 32.259 0.541 2
1 890 . 1 1 A 84 84 VAL N N 84 126.800 124.105 2.695 2
1 891 . 1 1 A 85 85 THR H H 85 9.000 9.138 -0.138 2
1 892 . 1 1 A 85 85 THR HA H 85 4.440 4.941 -0.501 2
1 897 . 1 1 A 85 85 THR CA C 85 61.900 61.725 0.175 2
1 898 . 1 1 A 85 85 THR CB C 85 70.100 70.222 -0.122 2
1 900 . 1 1 A 85 85 THR N N 85 125.500 123.627 1.873 2
1 901 . 1 1 A 86 86 VAL H H 86 8.280 9.017 -0.737 2
1 902 . 1 1 A 86 86 VAL HA H 86 5.010 5.060 -0.050 2
1 910 . 1 1 A 86 86 VAL CA C 86 59.300 60.103 -0.803 2
1 911 . 1 1 A 86 86 VAL CB C 86 33.700 35.373 -1.673 2
1 914 . 1 1 A 86 86 VAL N N 86 123.200 125.417 -2.217 2
1 915 . 1 1 A 87 87 GLU H H 87 8.560 8.723 -0.163 2
1 916 . 1 1 A 87 87 GLU HA H 87 4.720 4.879 -0.159 2
1 921 . 1 1 A 87 87 GLU CA C 87 52.400 53.574 -1.174 2
1 922 . 1 1 A 87 87 GLU CB C 87 33.600 30.821 2.779 2
1 924 . 1 1 A 87 87 GLU N N 87 124.400 125.403 -1.003 2
1 925 . 1 1 A 88 88 PRO HA H 88 4.770 4.689 0.081 2
1 932 . 1 1 A 88 88 PRO CA C 88 62.800 62.596 0.204 2
1 933 . 1 1 A 88 88 PRO CB C 88 34.300 32.415 1.885 2
1 936 . 1 1 A 89 89 ARG H H 89 8.200 8.822 -0.622 2
1 937 . 1 1 A 89 89 ARG HA H 89 4.050 4.305 -0.255 2
1 945 . 1 1 A 89 89 ARG CA C 89 57.300 57.512 -0.212 2
1 946 . 1 1 A 89 89 ARG CB C 89 30.700 31.053 -0.353 2
1 949 . 1 1 A 89 89 ARG N N 89 114.400 120.094 -5.694 2
1 951 . 1 1 A 90 90 MET H H 90 7.750 7.698 0.052 2
1 952 . 1 1 A 90 90 MET HA H 90 5.060 5.063 -0.003 2
1 960 . 1 1 A 90 90 MET CA C 90 53.700 54.093 -0.393 2
1 961 . 1 1 A 90 90 MET CB C 90 34.700 35.521 -0.821 2
1 964 . 1 1 A 90 90 MET N N 90 115.900 118.330 -2.430 2
1 965 . 1 1 A 91 91 ALA H H 91 9.020 9.480 -0.460 2
1 966 . 1 1 A 91 91 ALA HA H 91 4.640 5.290 -0.650 2
1 970 . 1 1 A 91 91 ALA CA C 91 49.300 50.080 -0.780 2
1 971 . 1 1 A 91 91 ALA CB C 91 23.600 22.601 0.999 2
1 972 . 1 1 A 91 91 ALA N N 91 123.200 125.869 -2.669 2
1 973 . 1 1 A 92 92 ARG H H 92 8.370 8.697 -0.327 2
1 974 . 1 1 A 92 92 ARG HA H 92 5.480 5.340 0.140 2
1 982 . 1 1 A 92 92 ARG CA C 92 54.000 54.828 -0.828 2
1 983 . 1 1 A 92 92 ARG CB C 92 32.600 32.624 -0.024 2
1 986 . 1 1 A 92 92 ARG N N 92 119.600 120.095 -0.495 2
1 988 . 1 1 A 93 93 VAL H H 93 8.920 8.803 0.117 2
1 989 . 1 1 A 93 93 VAL HA H 93 4.510 4.841 -0.331 2
1 997 . 1 1 A 93 93 VAL CA C 93 61.000 60.326 0.674 2
1 998 . 1 1 A 93 93 VAL CB C 93 36.900 35.176 1.724 2
1 1001 . 1 1 A 93 93 VAL N N 93 124.100 122.701 1.399 2
1 1002 . 1 1 A 94 94 GLN H H 94 8.930 9.275 -0.345 2
1 1003 . 1 1 A 94 94 GLN HA H 94 5.400 4.963 0.437 2
1 1010 . 1 1 A 94 94 GLN CA C 94 53.500 54.331 -0.831 2
1 1011 . 1 1 A 94 94 GLN CB C 94 30.300 31.606 -1.306 2
1 1013 . 1 1 A 94 94 GLN N N 94 127.900 128.065 -0.165 2
1 1015 . 1 1 A 95 95 LEU H H 95 8.870 9.046 -0.176 2
1 1016 . 1 1 A 95 95 LEU HA H 95 5.390 5.223 0.167 2
1 1026 . 1 1 A 95 95 LEU CA C 95 53.000 53.348 -0.348 2
1 1027 . 1 1 A 95 95 LEU CB C 95 44.800 43.674 1.126 2
1 1031 . 1 1 A 95 95 LEU N N 95 126.400 128.307 -1.907 2
1 1032 . 1 1 A 96 96 GLU H H 96 9.300 8.883 0.417 2
1 1033 . 1 1 A 96 96 GLU HA H 96 5.000 4.972 0.028 2
1 1038 . 1 1 A 96 96 GLU CA C 96 54.300 54.626 -0.326 2
1 1039 . 1 1 A 96 96 GLU CB C 96 33.800 33.436 0.364 2
1 1041 . 1 1 A 96 96 GLU N N 96 122.700 124.378 -1.678 2
1 1042 . 1 1 A 97 97 GLU H H 97 9.730 8.738 0.992 2
1 1043 . 1 1 A 97 97 GLU HA H 97 4.360 4.506 -0.146 2
1 1048 . 1 1 A 97 97 GLU CA C 97 57.600 56.741 0.859 2
1 1049 . 1 1 A 97 97 GLU CB C 97 30.000 29.192 0.808 2
1 1051 . 1 1 A 97 97 GLU N N 97 126.200 125.715 0.485 2
1 1052 . 1 1 A 98 98 ARG H H 98 8.300 8.518 -0.218 2
1 1053 . 1 1 A 98 98 ARG HA H 98 4.180 4.486 -0.306 2
1 1061 . 1 1 A 98 98 ARG CA C 98 56.800 55.979 0.821 2
1 1062 . 1 1 A 98 98 ARG CB C 98 30.700 31.352 -0.652 2
1 1065 . 1 1 A 98 98 ARG N N 98 126.500 125.162 1.338 2
1 1067 . 1 1 A 99 99 GLN H H 99 8.810 8.674 0.136 2
1 1068 . 1 1 A 99 99 GLN HA H 99 4.370 4.522 -0.152 2
1 1075 . 1 1 A 99 99 GLN CA C 99 55.600 56.410 -0.810 2
1 1076 . 1 1 A 99 99 GLN CB C 99 29.500 29.587 -0.087 2
1 1078 . 1 1 A 99 99 GLN N N 99 123.700 123.829 -0.129 2
1 1080 . 1 1 A 100 100 THR H H 100 8.340 8.498 -0.158 2
1 1081 . 1 1 A 100 100 THR HA H 100 4.330 4.543 -0.213 2
1 1086 . 1 1 A 100 100 THR CA C 100 61.700 62.066 -0.366 2
1 1087 . 1 1 A 100 100 THR CB C 100 69.800 69.711 0.089 2
1 1089 . 1 1 A 100 100 THR N N 100 116.700 116.073 0.627 2
1 1090 . 1 1 A 101 101 VAL H H 101 8.290 8.369 -0.079 2
1 1091 . 1 1 A 101 101 VAL HA H 101 4.170 4.294 -0.124 2
1 1099 . 1 1 A 101 101 VAL CA C 101 61.900 62.251 -0.351 2
1 1100 . 1 1 A 101 101 VAL CB C 101 32.800 32.154 0.646 2
1 1103 . 1 1 A 101 101 VAL N N 101 122.900 124.332 -1.432 2
1 1104 . 1 1 A 102 102 SER H H 102 8.490 8.569 -0.079 2
1 1105 . 1 1 A 102 102 SER HA H 102 4.470 4.832 -0.362 2
1 1108 . 1 1 A 102 102 SER CA C 102 58.000 57.608 0.392 2
1 1109 . 1 1 A 102 102 SER CB C 102 63.600 63.968 -0.368 2
1 1110 . 1 1 A 102 102 SER N N 102 120.700 120.755 -0.055 2
1 1111 . 1 1 A 103 103 VAL H H 103 8.240 8.261 -0.021 2
1 1112 . 1 1 A 103 103 VAL HA H 103 4.420 4.582 -0.162 2
1 1120 . 1 1 A 103 103 VAL CA C 103 59.700 59.340 0.360 2
1 1121 . 1 1 A 103 103 VAL CB C 103 32.700 32.985 -0.285 2
1 1124 . 1 1 A 103 103 VAL N N 103 123.900 122.947 0.953 2
1 1125 . 1 1 A 104 104 PRO HA H 104 4.420 4.692 -0.272 2
1 1132 . 1 1 A 104 104 PRO CA C 104 63.000 62.526 0.474 2
1 1133 . 1 1 A 104 104 PRO CB C 104 32.000 31.767 0.233 2
1 1136 . 1 1 A 105 105 VAL H H 105 8.340 8.274 0.066 2
1 1137 . 1 1 A 105 105 VAL HA H 105 4.130 4.342 -0.212 2
1 1145 . 1 1 A 105 105 VAL CA C 105 62.200 61.461 0.739 2
1 1146 . 1 1 A 105 105 VAL CB C 105 32.600 32.743 -0.143 2
1 1149 . 1 1 A 105 105 VAL N N 105 121.000 120.208 0.792 2
1 1150 . 1 1 A 106 106 THR H H 106 8.210 8.543 -0.333 2
1 1151 . 1 1 A 106 106 THR HA H 106 4.380 4.659 -0.279 2
1 1156 . 1 1 A 106 106 THR CA C 106 61.400 61.802 -0.402 2
1 1157 . 1 1 A 106 106 THR CB C 106 70.000 69.412 0.588 2
1 1159 . 1 1 A 106 106 THR N N 106 118.700 120.115 -1.415 2
1 1160 . 1 1 A 107 107 VAL H H 107 8.280 8.572 -0.292 2
1 1161 . 1 1 A 107 107 VAL HA H 107 4.050 4.396 -0.346 2
1 1169 . 1 1 A 107 107 VAL CA C 107 62.600 61.669 0.931 2
1 1170 . 1 1 A 107 107 VAL CB C 107 32.600 33.174 -0.574 2
1 1173 . 1 1 A 107 107 VAL N N 107 122.700 124.410 -1.710 2
1 1174 . 1 1 A 108 108 GLU H H 108 8.500 8.567 -0.067 2
1 1175 . 1 1 A 108 108 GLU HA H 108 4.230 4.556 -0.326 2
1 1180 . 1 1 A 108 108 GLU CA C 108 56.600 56.315 0.285 2
1 1181 . 1 1 A 108 108 GLU CB C 108 30.000 30.568 -0.568 2
1 1183 . 1 1 A 108 108 GLU N N 108 124.100 124.673 -0.573 2
1 1184 . 1 1 A 109 109 MET H H 109 8.570 8.620 -0.050 2
1 1185 . 1 1 A 109 109 MET HA H 109 4.460 4.826 -0.366 2
1 1188 . 1 1 A 109 109 MET CA C 109 55.300 54.927 0.373 2
1 1189 . 1 1 A 109 109 MET CB C 109 26.800 33.589 -6.789 2
1 1190 . 1 1 A 109 109 MET N N 109 121.300 122.945 -1.645 2
1 1191 . 1 1 A 110 110 ILE H H 110 8.280 8.608 -0.328 2
1 1192 . 1 1 A 110 110 ILE HA H 110 4.080 4.642 -0.562 2
1 1202 . 1 1 A 110 110 ILE CA C 110 61.400 60.259 1.141 2
1 1203 . 1 1 A 110 110 ILE CB C 110 38.700 39.880 -1.180 2
1 1207 . 1 1 A 110 110 ILE N N 110 122.600 122.674 -0.075 2
1 1208 . 1 1 A 111 111 ASN H H 111 8.590 8.610 -0.020 2
1 1209 . 1 1 A 111 111 ASN HA H 111 4.690 5.132 -0.442 2
1 1214 . 1 1 A 111 111 ASN CA C 111 53.000 52.358 0.642 2
1 1215 . 1 1 A 111 111 ASN CB C 111 38.600 40.339 -1.739 2
1 1216 . 1 1 A 111 111 ASN N N 111 122.800 123.638 -0.838 2
1 1218 . 1 1 A 112 112 LEU H H 112 8.340 8.579 -0.239 2
1 1219 . 1 1 A 112 112 LEU HA H 112 4.240 4.725 -0.485 2
1 1229 . 1 1 A 112 112 LEU CA C 112 55.400 54.237 1.163 2
1 1230 . 1 1 A 112 112 LEU CB C 112 42.100 43.247 -1.147 2
stop_
save_