data_16014_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16014
_Entry.PDB_ID 2KA4
_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 7 . 1 1 1 A 2 2 THR HA H 341 4.462 4.597 -0.135 1
1 12 . 1 1 1 A 2 2 THR CA C 341 61.936 61.727 0.209 1
1 13 . 1 1 1 A 2 2 THR CB C 341 69.770 70.836 -1.066 1
1 15 . 1 1 1 A 3 3 GLY HA2 H 342 4.141 4.059 0.082 1
1 16 . 1 1 1 A 3 3 GLY HA3 H 342 4.238 4.060 0.178 1
1 17 . 1 1 1 A 3 3 GLY CA C 342 44.424 44.271 0.153 1
1 18 . 1 1 1 A 4 4 PRO HA H 343 4.567 4.353 0.214 1
1 25 . 1 1 1 A 4 4 PRO CA C 343 63.088 64.792 -1.704 1
1 26 . 1 1 1 A 4 4 PRO CB C 343 32.443 31.836 0.607 1
1 29 . 1 1 1 A 5 5 THR H H 344 8.284 8.197 0.087 1
1 30 . 1 1 1 A 5 5 THR HA H 344 4.342 4.210 0.132 1
1 35 . 1 1 1 A 5 5 THR CA C 344 61.936 63.667 -1.731 1
1 36 . 1 1 1 A 5 5 THR CB C 344 69.539 68.513 1.026 1
1 38 . 1 1 1 A 5 5 THR N N 344 113.968 110.533 3.435 1
1 39 . 1 1 1 A 6 6 ALA H H 345 8.269 7.659 0.610 1
1 40 . 1 1 1 A 6 6 ALA HA H 345 4.434 4.507 -0.073 1
1 44 . 1 1 1 A 6 6 ALA CA C 345 52.028 52.650 -0.622 1
1 45 . 1 1 1 A 6 6 ALA CB C 345 19.771 21.346 -1.575 1
1 46 . 1 1 1 A 6 6 ALA N N 345 126.619 122.154 4.465 1
1 47 . 1 1 1 A 7 7 ASP H H 346 8.454 8.341 0.113 1
1 48 . 1 1 1 A 7 7 ASP HA H 346 4.917 4.331 0.586 1
1 51 . 1 1 1 A 7 7 ASP CA C 346 52.719 54.792 -2.073 1
1 52 . 1 1 1 A 7 7 ASP CB C 346 41.659 39.319 2.340 1
1 53 . 1 1 1 A 7 7 ASP N N 346 120.766 117.556 3.210 1
1 54 . 1 1 1 A 8 8 PRO HA H 347 4.398 4.295 0.103 1
1 61 . 1 1 1 A 8 8 PRO CA C 347 64.931 65.590 -0.659 1
1 62 . 1 1 1 A 8 8 PRO CB C 347 32.388 31.882 0.506 1
1 65 . 1 1 1 A 9 9 GLU H H 348 8.113 8.154 -0.041 1
1 66 . 1 1 1 A 9 9 GLU HA H 348 4.154 4.086 0.068 1
1 71 . 1 1 1 A 9 9 GLU CB C 348 30.138 29.421 0.717 1
1 73 . 1 1 1 A 9 9 GLU N N 348 116.423 118.097 -1.674 1
1 74 . 1 1 1 A 10 10 LYS H H 349 7.699 7.941 -0.242 1
1 75 . 1 1 1 A 10 10 LYS HA H 349 3.982 3.986 -0.004 1
1 84 . 1 1 1 A 10 10 LYS CA C 349 60.092 59.583 0.509 1
1 85 . 1 1 1 A 10 10 LYS CB C 349 32.558 32.303 0.255 1
1 89 . 1 1 1 A 10 10 LYS N N 349 119.255 120.041 -0.786 1
1 90 . 1 1 1 A 11 11 ARG H H 350 7.845 8.284 -0.439 1
1 91 . 1 1 1 A 11 11 ARG HA H 350 3.656 3.942 -0.286 1
1 98 . 1 1 1 A 11 11 ARG CA C 350 60.092 59.284 0.808 1
1 99 . 1 1 1 A 11 11 ARG CB C 350 28.295 29.853 -1.558 1
1 102 . 1 1 1 A 11 11 ARG N N 350 117.178 119.426 -2.248 1
1 103 . 1 1 1 A 12 12 LYS H H 351 7.888 7.517 0.371 1
1 104 . 1 1 1 A 12 12 LYS HA H 351 4.198 4.392 -0.194 1
1 109 . 1 1 1 A 12 12 LYS CA C 351 59.631 59.250 0.381 1
1 110 . 1 1 1 A 12 12 LYS CB C 351 32.673 32.193 0.480 1
1 112 . 1 1 1 A 12 12 LYS N N 351 117.745 119.284 -1.539 1
1 113 . 1 1 1 A 13 13 LEU H H 352 7.696 7.725 -0.029 1
1 114 . 1 1 1 A 13 13 LEU HA H 352 4.259 4.059 0.200 1
1 124 . 1 1 1 A 13 13 LEU CA C 352 58.019 57.960 0.059 1
1 125 . 1 1 1 A 13 13 LEU CB C 352 42.120 41.743 0.377 1
1 129 . 1 1 1 A 13 13 LEU N N 352 119.444 119.462 -0.018 1
1 130 . 1 1 1 A 14 14 ILE H H 353 7.831 7.669 0.162 1
1 131 . 1 1 1 A 14 14 ILE HA H 353 3.648 3.781 -0.133 1
1 141 . 1 1 1 A 14 14 ILE CA C 353 65.392 64.250 1.142 1
1 142 . 1 1 1 A 14 14 ILE CB C 353 38.203 37.664 0.539 1
1 146 . 1 1 1 A 14 14 ILE N N 353 118.311 115.680 2.631 1
1 147 . 1 1 1 A 15 15 GLN H H 354 8.178 7.931 0.247 1
1 148 . 1 1 1 A 15 15 GLN HA H 354 3.791 3.872 -0.081 1
1 155 . 1 1 1 A 15 15 GLN CA C 354 59.631 59.159 0.472 1
1 156 . 1 1 1 A 15 15 GLN CB C 354 30.369 28.090 2.279 1
1 158 . 1 1 1 A 15 15 GLN N N 354 116.423 121.098 -4.675 1
1 160 . 1 1 1 A 16 16 GLN H H 355 8.192 8.174 0.018 1
1 161 . 1 1 1 A 16 16 GLN HA H 355 3.799 4.026 -0.227 1
1 168 . 1 1 1 A 16 16 GLN CA C 355 59.171 59.127 0.044 1
1 169 . 1 1 1 A 16 16 GLN CB C 355 28.986 28.364 0.622 1
1 171 . 1 1 1 A 16 16 GLN N N 355 117.178 118.577 -1.399 1
1 173 . 1 1 1 A 17 17 GLN H H 356 7.970 7.546 0.424 1
1 174 . 1 1 1 A 17 17 GLN HA H 356 3.136 4.016 -0.880 1
1 181 . 1 1 1 A 17 17 GLN CA C 356 60.323 58.610 1.713 1
1 182 . 1 1 1 A 17 17 GLN CB C 356 27.143 28.173 -1.030 1
1 184 . 1 1 1 A 17 17 GLN N N 356 118.311 119.641 -1.330 1
1 186 . 1 1 1 A 18 18 LEU H H 357 8.408 8.174 0.234 1
1 187 . 1 1 1 A 18 18 LEU HA H 357 3.863 3.977 -0.114 1
1 197 . 1 1 1 A 18 18 LEU CA C 357 58.710 58.322 0.388 1
1 198 . 1 1 1 A 18 18 LEU CB C 357 40.968 41.896 -0.928 1
1 202 . 1 1 1 A 18 18 LEU N N 357 117.934 121.049 -3.115 1
1 203 . 1 1 1 A 19 19 VAL H H 358 8.544 8.225 0.319 1
1 204 . 1 1 1 A 19 19 VAL HA H 358 3.479 3.445 0.034 1
1 212 . 1 1 1 A 19 19 VAL CA C 358 66.544 66.907 -0.363 1
1 213 . 1 1 1 A 19 19 VAL CB C 358 31.060 31.239 -0.179 1
1 216 . 1 1 1 A 19 19 VAL N N 358 116.423 119.157 -2.734 1
1 217 . 1 1 1 A 20 20 LEU H H 359 7.820 7.989 -0.169 1
1 218 . 1 1 1 A 20 20 LEU HA H 359 3.952 3.943 0.009 1
1 228 . 1 1 1 A 20 20 LEU CA C 359 58.019 58.057 -0.038 1
1 229 . 1 1 1 A 20 20 LEU CB C 359 42.696 41.206 1.490 1
1 233 . 1 1 1 A 20 20 LEU N N 359 120.955 120.151 0.804 1
1 234 . 1 1 1 A 21 21 LEU H H 360 8.278 7.983 0.295 1
1 235 . 1 1 1 A 21 21 LEU HA H 360 3.868 4.089 -0.221 1
1 245 . 1 1 1 A 21 21 LEU CA C 360 58.710 58.011 0.699 1
1 246 . 1 1 1 A 21 21 LEU CB C 360 42.811 41.545 1.266 1
1 250 . 1 1 1 A 21 21 LEU N N 360 121.144 119.425 1.719 1
1 251 . 1 1 1 A 22 22 LEU H H 361 8.331 8.180 0.151 1
1 252 . 1 1 1 A 22 22 LEU HA H 361 3.919 3.933 -0.014 1
1 262 . 1 1 1 A 22 22 LEU CA C 361 57.788 58.098 -0.310 1
1 263 . 1 1 1 A 22 22 LEU CB C 361 41.083 41.223 -0.140 1
1 267 . 1 1 1 A 22 22 LEU N N 361 118.500 118.256 0.244 1
1 268 . 1 1 1 A 23 23 HIS H H 362 8.620 8.401 0.219 1
1 269 . 1 1 1 A 23 23 HIS HA H 362 4.114 4.263 -0.149 1
1 274 . 1 1 1 A 23 23 HIS CA C 362 60.323 59.755 0.568 1
1 275 . 1 1 1 A 23 23 HIS CB C 362 27.834 29.937 -2.103 1
1 278 . 1 1 1 A 23 23 HIS N N 362 117.934 118.072 -0.138 1
1 279 . 1 1 1 A 24 24 ALA H H 363 9.049 8.350 0.699 1
1 280 . 1 1 1 A 24 24 ALA HA H 363 3.954 3.956 -0.002 1
1 284 . 1 1 1 A 24 24 ALA CA C 363 55.253 55.040 0.213 1
1 285 . 1 1 1 A 24 24 ALA CB C 363 19.079 18.041 1.038 1
1 286 . 1 1 1 A 24 24 ALA N N 363 121.710 120.627 1.083 1
1 287 . 1 1 1 A 25 25 HIS H H 364 7.955 8.190 -0.235 1
1 288 . 1 1 1 A 25 25 HIS HA H 364 4.130 4.207 -0.077 1
1 293 . 1 1 1 A 25 25 HIS CA C 364 60.092 59.793 0.299 1
1 294 . 1 1 1 A 25 25 HIS CB C 364 31.060 29.666 1.394 1
1 297 . 1 1 1 A 25 25 HIS N N 364 115.856 118.582 -2.726 1
1 298 . 1 1 1 A 26 26 LYS H H 365 7.053 7.721 -0.668 1
1 299 . 1 1 1 A 26 26 LYS HA H 365 4.014 3.819 0.195 1
1 302 . 1 1 1 A 26 26 LYS CA C 365 57.788 58.971 -1.183 1
1 303 . 1 1 1 A 26 26 LYS CB C 365 32.903 31.737 1.166 1
1 304 . 1 1 1 A 26 26 LYS N N 365 117.178 118.462 -1.284 1
1 305 . 1 1 1 A 27 27 CYS H H 366 8.592 8.058 0.534 1
1 306 . 1 1 1 A 27 27 CYS HA H 366 3.741 3.991 -0.250 1
1 309 . 1 1 1 A 27 27 CYS CA C 366 62.396 62.452 -0.056 1
1 310 . 1 1 1 A 27 27 CYS CB C 366 29.678 26.949 2.729 1
1 311 . 1 1 1 A 27 27 CYS N N 366 123.976 119.366 4.610 1
1 312 . 1 1 1 A 28 28 GLN H H 367 8.349 8.395 -0.046 1
1 313 . 1 1 1 A 28 28 GLN HA H 367 4.283 3.924 0.359 1
1 320 . 1 1 1 A 28 28 GLN CA C 367 57.327 59.198 -1.871 1
1 321 . 1 1 1 A 28 28 GLN CB C 367 29.217 28.404 0.813 1
1 323 . 1 1 1 A 28 28 GLN N N 367 119.444 119.846 -0.402 1
1 325 . 1 1 1 A 29 29 ARG H H 368 7.635 7.859 -0.224 1
1 326 . 1 1 1 A 29 29 ARG HA H 368 4.169 4.083 0.086 1
1 333 . 1 1 1 A 29 29 ARG CA C 368 57.558 59.528 -1.970 1
1 334 . 1 1 1 A 29 29 ARG CB C 368 29.908 29.899 0.009 1
1 337 . 1 1 1 A 29 29 ARG N N 368 119.444 118.598 0.846 1
1 338 . 1 1 1 A 30 30 ARG H H 369 8.018 8.045 -0.027 1
1 339 . 1 1 1 A 30 30 ARG HA H 369 4.260 3.943 0.317 1
1 346 . 1 1 1 A 30 30 ARG CA C 369 57.558 59.450 -1.892 1
1 347 . 1 1 1 A 30 30 ARG CB C 369 30.599 29.981 0.618 1
1 350 . 1 1 1 A 30 30 ARG N N 369 120.388 119.553 0.835 1
1 351 . 1 1 1 A 31 31 GLU H H 370 8.208 8.289 -0.081 1
1 352 . 1 1 1 A 31 31 GLU HA H 370 4.236 4.048 0.188 1
1 357 . 1 1 1 A 31 31 GLU CA C 370 57.788 59.337 -1.549 1
1 358 . 1 1 1 A 31 31 GLU CB C 370 30.369 29.263 1.106 1
1 360 . 1 1 1 A 31 31 GLU N N 370 120.388 118.969 1.419 1
1 361 . 1 1 1 A 32 32 GLN H H 371 8.165 8.229 -0.064 1
1 362 . 1 1 1 A 32 32 GLN HA H 371 4.313 4.004 0.309 1
1 367 . 1 1 1 A 32 32 GLN CA C 371 56.636 58.872 -2.236 1
1 368 . 1 1 1 A 32 32 GLN CB C 371 29.217 28.113 1.104 1
1 370 . 1 1 1 A 32 32 GLN N N 371 118.878 118.265 0.613 1
1 371 . 1 1 1 A 33 33 ALA H H 372 8.095 7.788 0.307 1
1 372 . 1 1 1 A 33 33 ALA HA H 372 4.327 4.136 0.191 1
1 376 . 1 1 1 A 33 33 ALA CA C 372 53.180 54.120 -0.940 1
1 377 . 1 1 1 A 33 33 ALA CB C 372 19.079 18.364 0.715 1
1 378 . 1 1 1 A 33 33 ALA N N 372 123.032 120.711 2.321 1
1 379 . 1 1 1 A 34 34 ASN H H 373 8.186 7.956 0.230 1
1 380 . 1 1 1 A 34 34 ASN HA H 373 4.735 4.975 -0.240 1
1 383 . 1 1 1 A 34 34 ASN CA C 373 53.410 52.010 1.400 1
1 384 . 1 1 1 A 34 34 ASN CB C 373 38.894 39.222 -0.328 1
1 385 . 1 1 1 A 34 34 ASN N N 373 115.479 116.129 -0.650 1
1 386 . 1 1 1 A 35 35 GLY H H 374 8.266 8.334 -0.068 1
1 387 . 1 1 1 A 35 35 GLY HA2 H 374 3.943 3.866 0.077 1
1 388 . 1 1 1 A 35 35 GLY HA3 H 374 4.044 3.866 0.178 1
1 389 . 1 1 1 A 35 35 GLY CA C 374 45.576 47.357 -1.781 1
1 390 . 1 1 1 A 35 35 GLY N N 374 108.492 109.101 -0.609 1
1 391 . 1 1 1 A 36 36 GLU H H 375 8.132 8.270 -0.138 1
1 392 . 1 1 1 A 36 36 GLU HA H 375 4.368 4.541 -0.173 1
1 397 . 1 1 1 A 36 36 GLU CA C 375 55.945 55.409 0.536 1
1 398 . 1 1 1 A 36 36 GLU CB C 375 30.369 30.527 -0.158 1
1 400 . 1 1 1 A 36 36 GLU N N 375 119.822 123.089 -3.267 1
1 401 . 1 1 1 A 37 37 VAL H H 376 8.132 7.473 0.659 1
1 402 . 1 1 1 A 37 37 VAL HA H 376 4.139 3.968 0.171 1
1 410 . 1 1 1 A 37 37 VAL CA C 376 62.166 62.780 -0.614 1
1 411 . 1 1 1 A 37 37 VAL CB C 376 32.673 32.487 0.186 1
1 414 . 1 1 1 A 37 37 VAL N N 376 121.144 121.489 -0.345 1
1 415 . 1 1 1 A 38 38 ARG H H 377 8.455 9.120 -0.665 1
1 416 . 1 1 1 A 38 38 ARG HA H 377 4.392 4.558 -0.166 1
1 423 . 1 1 1 A 38 38 ARG CA C 377 55.253 55.521 -0.268 1
1 424 . 1 1 1 A 38 38 ARG CB C 377 31.060 30.241 0.819 1
1 427 . 1 1 1 A 38 38 ARG N N 377 125.109 129.031 -3.922 1
1 428 . 1 1 1 A 39 39 ALA H H 378 8.384 7.966 0.418 1
1 429 . 1 1 1 A 39 39 ALA HA H 378 4.287 4.214 0.073 1
1 433 . 1 1 1 A 39 39 ALA CA C 378 52.028 53.716 -1.688 1
1 434 . 1 1 1 A 39 39 ALA CB C 378 19.540 18.831 0.709 1
1 435 . 1 1 1 A 39 39 ALA N N 378 126.053 121.178 4.875 1
1 436 . 1 1 1 A 40 40 CYS H H 379 8.480 7.450 1.030 1
1 437 . 1 1 1 A 40 40 CYS HA H 379 4.344 4.484 -0.140 1
1 440 . 1 1 1 A 40 40 CYS CA C 379 60.092 58.944 1.148 1
1 441 . 1 1 1 A 40 40 CYS CB C 379 30.138 29.193 0.945 1
1 442 . 1 1 1 A 40 40 CYS N N 379 123.787 118.647 5.140 1
1 443 . 1 1 1 A 41 41 SER HA H 380 4.588 4.811 -0.223 1
1 446 . 1 1 1 A 41 41 SER CA C 380 57.788 57.403 0.385 1
1 447 . 1 1 1 A 41 41 SER CB C 380 63.779 65.007 -1.228 1
1 448 . 1 1 1 A 42 42 LEU H H 381 8.642 7.367 1.275 1
1 449 . 1 1 1 A 42 42 LEU HA H 381 4.488 4.315 0.173 1
1 459 . 1 1 1 A 42 42 LEU CA C 381 53.871 53.560 0.311 1
1 460 . 1 1 1 A 42 42 LEU CB C 381 41.659 42.331 -0.672 1
1 464 . 1 1 1 A 42 42 LEU N N 381 129.074 124.340 4.734 1
1 465 . 1 1 1 A 43 43 PRO HA H 382 4.095 4.183 -0.088 1
1 472 . 1 1 1 A 43 43 PRO CA C 382 64.470 64.788 -0.318 1
1 473 . 1 1 1 A 43 43 PRO CB C 382 31.751 31.750 0.001 1
1 476 . 1 1 1 A 44 44 HIS H H 383 8.014 8.074 -0.060 1
1 477 . 1 1 1 A 44 44 HIS HA H 383 4.527 4.947 -0.420 1
1 482 . 1 1 1 A 44 44 HIS CA C 383 58.249 55.124 3.125 1
1 483 . 1 1 1 A 44 44 HIS CB C 383 30.369 30.288 0.081 1
1 486 . 1 1 1 A 44 44 HIS N N 383 110.569 113.499 -2.930 1
1 487 . 1 1 1 A 45 45 CYS H H 384 7.729 7.767 -0.038 1
1 488 . 1 1 1 A 45 45 CYS HA H 384 4.023 3.911 0.112 1
1 491 . 1 1 1 A 45 45 CYS CA C 384 64.470 62.660 1.810 1
1 492 . 1 1 1 A 45 45 CYS CB C 384 28.756 26.660 2.096 1
1 493 . 1 1 1 A 45 45 CYS N N 384 124.165 120.722 3.443 1
1 494 . 1 1 1 A 46 46 ARG H H 385 8.239 8.129 0.110 1
1 495 . 1 1 1 A 46 46 ARG HA H 385 3.978 4.097 -0.119 1
1 502 . 1 1 1 A 46 46 ARG CA C 385 59.401 58.748 0.653 1
1 503 . 1 1 1 A 46 46 ARG CB C 385 28.986 30.384 -1.398 1
1 506 . 1 1 1 A 46 46 ARG N N 385 116.612 119.558 -2.946 1
1 507 . 1 1 1 A 47 47 THR H H 386 7.496 8.131 -0.635 1
1 508 . 1 1 1 A 47 47 THR HA H 386 4.008 3.900 0.108 1
1 513 . 1 1 1 A 47 47 THR CA C 386 65.853 67.043 -1.190 1
1 514 . 1 1 1 A 47 47 THR CB C 386 68.387 68.432 -0.045 1
1 516 . 1 1 1 A 47 47 THR N N 386 114.346 116.336 -1.990 1
1 517 . 1 1 1 A 48 48 MET H H 387 8.216 8.283 -0.067 1
1 518 . 1 1 1 A 48 48 MET HA H 387 4.622 4.053 0.569 1
1 526 . 1 1 1 A 48 48 MET CA C 387 56.636 59.152 -2.516 1
1 527 . 1 1 1 A 48 48 MET CB C 387 31.291 32.993 -1.702 1
1 530 . 1 1 1 A 48 48 MET N N 387 119.444 118.353 1.091 1
1 531 . 1 1 1 A 49 49 LYS H H 388 9.306 8.309 0.997 1
1 532 . 1 1 1 A 49 49 LYS HA H 388 3.923 4.017 -0.094 1
1 541 . 1 1 1 A 49 49 LYS CA C 388 61.244 60.284 0.960 1
1 542 . 1 1 1 A 49 49 LYS CB C 388 32.903 32.378 0.525 1
1 546 . 1 1 1 A 49 49 LYS N N 388 122.276 118.083 4.193 1
1 547 . 1 1 1 A 50 50 ASN H H 389 8.069 8.094 -0.025 1
1 548 . 1 1 1 A 50 50 ASN HA H 389 4.629 4.593 0.036 1
1 553 . 1 1 1 A 50 50 ASN CA C 389 56.175 56.098 0.077 1
1 554 . 1 1 1 A 50 50 ASN CB C 389 37.512 38.603 -1.091 1
1 555 . 1 1 1 A 50 50 ASN N N 389 117.178 117.959 -0.781 1
1 557 . 1 1 1 A 51 51 VAL H H 390 8.116 7.769 0.347 1
1 558 . 1 1 1 A 51 51 VAL HA H 390 3.803 3.656 0.147 1
1 566 . 1 1 1 A 51 51 VAL CA C 390 67.235 66.554 0.681 1
1 567 . 1 1 1 A 51 51 VAL CB C 390 31.751 31.593 0.158 1
1 570 . 1 1 1 A 51 51 VAL N N 390 123.598 119.889 3.709 1
1 571 . 1 1 1 A 52 52 LEU H H 391 8.735 8.625 0.110 1
1 572 . 1 1 1 A 52 52 LEU HA H 391 4.123 4.025 0.098 1
1 582 . 1 1 1 A 52 52 LEU CA C 391 58.479 58.258 0.221 1
1 583 . 1 1 1 A 52 52 LEU CB C 391 41.659 41.514 0.145 1
1 587 . 1 1 1 A 52 52 LEU N N 391 120.955 119.674 1.281 1
1 588 . 1 1 1 A 53 53 ASN H H 392 8.231 8.550 -0.319 1
1 589 . 1 1 1 A 53 53 ASN HA H 392 4.561 4.443 0.118 1
1 594 . 1 1 1 A 53 53 ASN CA C 392 56.175 56.519 -0.344 1
1 595 . 1 1 1 A 53 53 ASN CB C 392 38.433 38.907 -0.474 1
1 596 . 1 1 1 A 53 53 ASN N N 392 116.801 117.294 -0.493 1
1 598 . 1 1 1 A 54 54 HIS H H 393 8.049 8.159 -0.110 1
1 599 . 1 1 1 A 54 54 HIS HA H 393 4.418 4.350 0.068 1
1 604 . 1 1 1 A 54 54 HIS CA C 393 59.401 60.144 -0.743 1
1 605 . 1 1 1 A 54 54 HIS CB C 393 27.604 30.090 -2.486 1
1 608 . 1 1 1 A 54 54 HIS N N 393 120.011 119.697 0.314 1
1 609 . 1 1 1 A 55 55 MET H H 394 9.118 8.639 0.479 1
1 610 . 1 1 1 A 55 55 MET HA H 394 3.704 3.990 -0.286 1
1 618 . 1 1 1 A 55 55 MET CA C 394 59.401 58.445 0.956 1
1 619 . 1 1 1 A 55 55 MET CB C 394 34.286 32.534 1.752 1
1 622 . 1 1 1 A 55 55 MET N N 394 119.066 116.831 2.235 1
1 623 . 1 1 1 A 56 56 THR H H 395 7.521 7.678 -0.157 1
1 624 . 1 1 1 A 56 56 THR HA H 395 3.915 4.120 -0.205 1
1 629 . 1 1 1 A 56 56 THR CA C 395 65.392 64.630 0.762 1
1 630 . 1 1 1 A 56 56 THR CB C 395 69.309 68.308 1.001 1
1 632 . 1 1 1 A 56 56 THR N N 395 110.758 115.118 -4.360 1
1 633 . 1 1 1 A 57 57 HIS H H 396 7.023 7.854 -0.831 1
1 634 . 1 1 1 A 57 57 HIS HA H 396 4.846 4.748 0.098 1
1 639 . 1 1 1 A 57 57 HIS CA C 396 55.023 55.932 -0.909 1
1 640 . 1 1 1 A 57 57 HIS CB C 396 30.830 31.649 -0.819 1
1 643 . 1 1 1 A 57 57 HIS N N 396 115.668 115.508 0.160 1
1 644 . 1 1 1 A 58 58 CYS H H 397 7.134 7.564 -0.430 1
1 645 . 1 1 1 A 58 58 CYS HA H 397 4.048 4.062 -0.014 1
1 648 . 1 1 1 A 58 58 CYS CA C 397 60.784 60.040 0.744 1
1 649 . 1 1 1 A 58 58 CYS CB C 397 29.678 28.119 1.559 1
1 650 . 1 1 1 A 58 58 CYS N N 397 123.598 118.964 4.634 1
1 651 . 1 1 1 A 59 59 GLN HA H 398 4.710 4.639 0.071 1
1 656 . 1 1 1 A 59 59 GLN CA C 398 55.023 55.785 -0.762 1
1 657 . 1 1 1 A 59 59 GLN CB C 398 29.678 29.598 0.080 1
1 659 . 1 1 1 A 60 60 ALA H H 399 8.689 7.331 1.358 1
1 660 . 1 1 1 A 60 60 ALA HA H 399 4.414 4.242 0.172 1
1 664 . 1 1 1 A 60 60 ALA CA C 399 52.949 52.344 0.605 1
1 665 . 1 1 1 A 60 60 ALA CB C 399 20.001 19.665 0.336 1
1 666 . 1 1 1 A 60 60 ALA N N 399 124.731 122.210 2.521 1
1 667 . 1 1 1 A 61 61 GLY H H 400 8.166 8.278 -0.112 1
1 668 . 1 1 1 A 61 61 GLY HA2 H 400 3.621 3.825 -0.204 1
1 669 . 1 1 1 A 61 61 GLY HA3 H 400 3.976 3.837 0.139 1
1 670 . 1 1 1 A 61 61 GLY CA C 400 46.267 47.140 -0.873 1
1 671 . 1 1 1 A 61 61 GLY N N 400 107.926 107.325 0.601 1
1 672 . 1 1 1 A 62 62 LYS HA H 401 4.138 4.253 -0.115 1
1 673 . 1 1 1 A 62 62 LYS CA C 401 58.479 58.510 -0.031 1
1 674 . 1 1 1 A 63 63 ALA H H 402 7.671 7.741 -0.070 1
1 675 . 1 1 1 A 63 63 ALA HA H 402 4.448 4.507 -0.059 1
1 679 . 1 1 1 A 63 63 ALA CA C 402 51.336 51.480 -0.144 1
1 680 . 1 1 1 A 63 63 ALA CB C 402 19.079 20.189 -1.110 1
1 681 . 1 1 1 A 63 63 ALA N N 402 119.444 120.828 -1.384 1
1 682 . 1 1 1 A 64 64 CYS H H 403 7.497 7.646 -0.149 1
1 683 . 1 1 1 A 64 64 CYS HA H 403 3.857 4.378 -0.521 1
1 686 . 1 1 1 A 64 64 CYS CA C 403 62.396 59.746 2.650 1
1 687 . 1 1 1 A 64 64 CYS CB C 403 29.908 28.523 1.385 1
1 688 . 1 1 1 A 64 64 CYS N N 403 121.899 118.429 3.470 1
1 689 . 1 1 1 A 65 65 GLN H H 404 9.025 8.768 0.257 1
1 690 . 1 1 1 A 65 65 GLN HA H 404 4.463 4.121 0.342 1
1 697 . 1 1 1 A 65 65 GLN CA C 404 55.673 57.390 -1.717 1
1 698 . 1 1 1 A 65 65 GLN CB C 404 29.332 28.656 0.676 1
1 700 . 1 1 1 A 65 65 GLN N N 404 128.885 122.936 5.949 1
1 702 . 1 1 1 A 66 66 VAL H H 405 9.337 7.375 1.962 1
1 703 . 1 1 1 A 66 66 VAL HA H 405 3.631 4.148 -0.517 1
1 711 . 1 1 1 A 66 66 VAL CA C 405 64.240 62.463 1.777 1
1 712 . 1 1 1 A 66 66 VAL CB C 405 30.830 31.013 -0.183 1
1 715 . 1 1 1 A 66 66 VAL N N 405 127.752 121.714 6.038 1
1 716 . 1 1 1 A 67 67 ALA H H 406 8.581 8.766 -0.185 1
1 717 . 1 1 1 A 67 67 ALA HA H 406 3.761 3.902 -0.141 1
1 721 . 1 1 1 A 67 67 ALA CA C 406 54.101 55.229 -1.128 1
1 722 . 1 1 1 A 67 67 ALA CB C 406 17.467 18.247 -0.780 1
1 723 . 1 1 1 A 67 67 ALA N N 406 133.983 130.605 3.378 1
1 724 . 1 1 1 A 68 68 HIS H H 407 8.099 7.714 0.385 1
1 725 . 1 1 1 A 68 68 HIS HA H 407 4.407 4.367 0.040 1
1 730 . 1 1 1 A 68 68 HIS CA C 407 57.327 58.788 -1.461 1
1 731 . 1 1 1 A 68 68 HIS CB C 407 29.447 29.507 -0.060 1
1 734 . 1 1 1 A 68 68 HIS N N 407 110.569 114.917 -4.348 1
1 735 . 1 1 1 A 69 69 CYS H H 408 8.086 7.760 0.326 1
1 736 . 1 1 1 A 69 69 CYS HA H 408 4.163 4.054 0.109 1
1 739 . 1 1 1 A 69 69 CYS CA C 408 64.240 62.664 1.576 1
1 740 . 1 1 1 A 69 69 CYS CB C 408 29.908 26.996 2.912 1
1 741 . 1 1 1 A 69 69 CYS N N 408 126.619 118.805 7.814 1
1 742 . 1 1 1 A 70 70 ALA H H 409 8.728 8.044 0.684 1
1 743 . 1 1 1 A 70 70 ALA HA H 409 4.333 4.084 0.249 1
1 747 . 1 1 1 A 70 70 ALA CA C 409 55.253 55.442 -0.189 1
1 748 . 1 1 1 A 70 70 ALA CB C 409 17.697 18.234 -0.537 1
1 749 . 1 1 1 A 70 70 ALA N N 409 118.689 122.867 -4.178 1
1 750 . 1 1 1 A 71 71 SER H H 410 9.179 8.024 1.155 1
1 751 . 1 1 1 A 71 71 SER HA H 410 4.138 4.156 -0.018 1
1 754 . 1 1 1 A 71 71 SER CA C 410 60.323 61.395 -1.072 1
1 755 . 1 1 1 A 71 71 SER CB C 410 61.244 63.148 -1.904 1
1 756 . 1 1 1 A 71 71 SER N N 410 114.535 114.235 0.300 1
1 757 . 1 1 1 A 72 72 SER H H 411 7.937 8.405 -0.468 1
1 758 . 1 1 1 A 72 72 SER HA H 411 4.048 4.189 -0.141 1
1 762 . 1 1 1 A 72 72 SER CA C 411 64.240 61.532 2.708 1
1 763 . 1 1 1 A 72 72 SER CB C 411 62.396 62.863 -0.467 1
1 764 . 1 1 1 A 72 72 SER N N 411 120.766 117.122 3.644 1
1 765 . 1 1 1 A 73 73 ARG H H 412 8.835 8.249 0.586 1
1 766 . 1 1 1 A 73 73 ARG HA H 412 3.855 4.105 -0.250 1
1 773 . 1 1 1 A 73 73 ARG CA C 412 60.323 59.553 0.770 1
1 774 . 1 1 1 A 73 73 ARG CB C 412 30.369 30.018 0.351 1
1 777 . 1 1 1 A 73 73 ARG N N 412 122.276 121.741 0.535 1
1 778 . 1 1 1 A 74 74 GLN H H 413 7.873 7.611 0.262 1
1 779 . 1 1 1 A 74 74 GLN HA H 413 4.182 4.164 0.018 1
1 786 . 1 1 1 A 74 74 GLN CA C 413 58.710 58.627 0.083 1
1 787 . 1 1 1 A 74 74 GLN CB C 413 29.447 28.472 0.975 1
1 789 . 1 1 1 A 74 74 GLN N N 413 118.689 119.497 -0.808 1
1 791 . 1 1 1 A 75 75 ILE H H 414 8.754 8.228 0.526 1
1 792 . 1 1 1 A 75 75 ILE HA H 414 3.617 3.905 -0.288 1
1 802 . 1 1 1 A 75 75 ILE CA C 414 66.544 64.501 2.043 1
1 803 . 1 1 1 A 75 75 ILE CB C 414 38.664 37.506 1.158 1
1 807 . 1 1 1 A 75 75 ILE N N 414 121.710 119.665 2.045 1
1 808 . 1 1 1 A 76 76 ILE H H 415 8.856 8.271 0.585 1
1 809 . 1 1 1 A 76 76 ILE HA H 415 3.863 3.629 0.234 1
1 819 . 1 1 1 A 76 76 ILE CA C 415 64.701 65.268 -0.567 1
1 820 . 1 1 1 A 76 76 ILE CB C 415 37.051 37.639 -0.588 1
1 824 . 1 1 1 A 76 76 ILE N N 415 120.199 123.062 -2.863 1
1 825 . 1 1 1 A 77 77 SER H H 416 7.981 7.548 0.433 1
1 826 . 1 1 1 A 77 77 SER HA H 416 4.153 4.193 -0.040 1
1 829 . 1 1 1 A 77 77 SER CA C 416 62.166 62.285 -0.119 1
1 830 . 1 1 1 A 77 77 SER CB C 416 62.627 63.106 -0.479 1
1 831 . 1 1 1 A 77 77 SER N N 416 114.346 116.251 -1.905 1
1 832 . 1 1 1 A 78 78 HIS H H 417 8.126 7.738 0.388 1
1 833 . 1 1 1 A 78 78 HIS HA H 417 4.154 4.437 -0.283 1
1 838 . 1 1 1 A 78 78 HIS CA C 417 60.553 59.514 1.039 1
1 839 . 1 1 1 A 78 78 HIS CB C 417 28.065 30.061 -1.996 1
1 842 . 1 1 1 A 78 78 HIS N N 417 118.878 121.403 -2.525 1
1 843 . 1 1 1 A 79 79 TRP H H 418 8.417 8.392 0.025 1
1 844 . 1 1 1 A 79 79 TRP HA H 418 4.451 4.188 0.263 1
1 853 . 1 1 1 A 79 79 TRP CA C 418 59.862 60.286 -0.424 1
1 854 . 1 1 1 A 79 79 TRP CB C 418 30.369 29.771 0.598 1
1 860 . 1 1 1 A 79 79 TRP N N 418 119.255 121.377 -2.122 1
1 862 . 1 1 1 A 80 80 LYS H H 419 8.412 8.315 0.097 1
1 863 . 1 1 1 A 80 80 LYS HA H 419 3.714 3.901 -0.187 1
1 872 . 1 1 1 A 80 80 LYS CA C 419 58.710 58.949 -0.239 1
1 873 . 1 1 1 A 80 80 LYS CB C 419 32.673 32.118 0.555 1
1 877 . 1 1 1 A 80 80 LYS N N 419 115.101 118.189 -3.088 1
1 878 . 1 1 1 A 81 81 ASN H H 420 7.416 7.715 -0.299 1
1 879 . 1 1 1 A 81 81 ASN HA H 420 4.713 4.731 -0.018 1
1 884 . 1 1 1 A 81 81 ASN CA C 420 53.410 53.901 -0.491 1
1 885 . 1 1 1 A 81 81 ASN CB C 420 40.737 41.350 -0.613 1
1 886 . 1 1 1 A 81 81 ASN N N 420 113.968 114.198 -0.230 1
1 888 . 1 1 1 A 82 82 CYS H H 421 7.617 7.628 -0.011 1
1 889 . 1 1 1 A 82 82 CYS HA H 421 3.986 4.263 -0.277 1
1 892 . 1 1 1 A 82 82 CYS CA C 421 61.244 60.113 1.131 1
1 893 . 1 1 1 A 82 82 CYS CB C 421 28.756 27.912 0.844 1
1 894 . 1 1 1 A 82 82 CYS N N 421 124.354 118.211 6.143 1
1 895 . 1 1 1 A 83 83 THR H H 422 8.535 8.565 -0.030 1
1 896 . 1 1 1 A 83 83 THR HA H 422 4.527 4.649 -0.122 1
1 901 . 1 1 1 A 83 83 THR CA C 422 60.553 61.050 -0.497 1
1 902 . 1 1 1 A 83 83 THR CB C 422 69.309 70.582 -1.273 1
1 904 . 1 1 1 A 83 83 THR N N 422 118.500 116.685 1.815 1
1 905 . 1 1 1 A 84 84 ARG HA H 423 4.448 4.102 0.346 1
1 912 . 1 1 1 A 84 84 ARG CA C 423 56.175 56.694 -0.519 1
1 913 . 1 1 1 A 84 84 ARG CB C 423 31.521 31.166 0.355 1
1 916 . 1 1 1 A 85 85 HIS HA H 424 4.391 4.487 -0.096 1
1 921 . 1 1 1 A 85 85 HIS CA C 424 58.479 57.896 0.583 1
1 922 . 1 1 1 A 85 85 HIS CB C 424 30.138 29.098 1.040 1
1 925 . 1 1 1 A 86 86 ASP H H 425 7.962 7.987 -0.025 1
1 926 . 1 1 1 A 86 86 ASP HA H 425 4.525 4.695 -0.170 1
1 929 . 1 1 1 A 86 86 ASP CA C 425 51.567 53.113 -1.546 1
1 930 . 1 1 1 A 86 86 ASP CB C 425 39.585 41.530 -1.945 1
1 931 . 1 1 1 A 86 86 ASP N N 425 116.612 115.988 0.624 1
1 932 . 1 1 1 A 87 87 CYS H H 426 6.974 6.935 0.039 1
1 933 . 1 1 1 A 87 87 CYS HA H 426 4.247 4.417 -0.170 1
1 936 . 1 1 1 A 87 87 CYS CA C 426 57.558 57.804 -0.246 1
1 937 . 1 1 1 A 87 87 CYS CB C 426 31.291 28.790 2.501 1
1 938 . 1 1 1 A 87 87 CYS N N 426 122.276 120.597 1.679 1
1 939 . 1 1 1 A 88 88 PRO HA H 427 4.445 4.294 0.151 1
1 944 . 1 1 1 A 88 88 PRO CA C 427 64.009 65.482 -1.473 1
1 945 . 1 1 1 A 88 88 PRO CB C 427 32.558 31.840 0.718 1
1 947 . 1 1 1 A 89 89 VAL H H 428 8.460 7.353 1.107 1
1 948 . 1 1 1 A 89 89 VAL HA H 428 3.719 3.767 -0.048 1
1 956 . 1 1 1 A 89 89 VAL CA C 428 65.622 65.549 0.073 1
1 957 . 1 1 1 A 89 89 VAL CB C 428 33.134 31.584 1.550 1
1 960 . 1 1 1 A 89 89 VAL N N 428 119.822 115.748 4.074 1
1 961 . 1 1 1 A 90 90 CYS H H 429 8.729 8.182 0.547 1
1 962 . 1 1 1 A 90 90 CYS HA H 429 4.225 4.252 -0.027 1
1 965 . 1 1 1 A 90 90 CYS CA C 429 63.779 63.110 0.669 1
1 966 . 1 1 1 A 90 90 CYS CB C 429 31.291 26.739 4.552 1
1 967 . 1 1 1 A 90 90 CYS N N 429 118.878 117.775 1.103 1
1 968 . 1 1 1 A 91 91 LEU H H 430 7.907 8.228 -0.321 1
1 969 . 1 1 1 A 91 91 LEU HA H 430 4.214 4.101 0.113 1
1 979 . 1 1 1 A 91 91 LEU CA C 430 60.323 60.304 0.019 1
1 980 . 1 1 1 A 91 91 LEU CB C 430 39.125 40.051 -0.926 1
1 984 . 1 1 1 A 91 91 LEU N N 430 118.878 123.100 -4.222 1
1 985 . 1 1 1 A 92 92 PRO HA H 431 4.460 4.344 0.116 1
1 992 . 1 1 1 A 92 92 PRO CA C 431 65.161 65.687 -0.526 1
1 993 . 1 1 1 A 92 92 PRO CB C 431 31.291 30.761 0.530 1
1 996 . 1 1 1 A 93 93 LEU H H 432 7.459 7.399 0.060 1
1 997 . 1 1 1 A 93 93 LEU HA H 432 4.359 3.855 0.504 1
1 1007 . 1 1 1 A 93 93 LEU CA C 432 55.945 57.416 -1.471 1
1 1008 . 1 1 1 A 93 93 LEU CB C 432 42.350 41.085 1.265 1
1 1012 . 1 1 1 A 93 93 LEU N N 432 115.290 116.792 -1.502 1
1 1013 . 1 1 1 A 94 94 LYS H H 433 7.975 8.638 -0.663 1
1 1014 . 1 1 1 A 94 94 LYS HA H 433 4.390 4.243 0.147 1
1 1022 . 1 1 1 A 94 94 LYS CA C 433 57.558 59.807 -2.249 1
1 1023 . 1 1 1 A 94 94 LYS CB C 433 33.134 32.187 0.947 1
1 1027 . 1 1 1 A 94 94 LYS N N 433 119.255 117.834 1.421 1
1 1028 . 1 1 1 A 95 95 ASN H H 434 8.368 8.270 0.098 1
1 1029 . 1 1 1 A 95 95 ASN HA H 434 4.733 4.504 0.229 1
1 1034 . 1 1 1 A 95 95 ASN CA C 434 53.410 56.288 -2.878 1
1 1035 . 1 1 1 A 95 95 ASN CB C 434 38.894 38.690 0.204 1
1 1036 . 1 1 1 A 95 95 ASN N N 434 117.934 118.060 -0.126 1
1 1038 . 1 1 1 A 96 96 ALA H H 435 8.040 8.376 -0.336 1
1 1039 . 1 1 1 A 96 96 ALA HA H 435 4.376 4.161 0.215 1
1 1043 . 1 1 1 A 96 96 ALA CA C 435 52.949 54.231 -1.282 1
1 1044 . 1 1 1 A 96 96 ALA CB C 435 19.310 18.464 0.846 1
1 1045 . 1 1 1 A 96 96 ALA N N 435 123.221 121.368 1.853 1
1 1046 . 1 1 1 A 97 97 SER H H 436 8.138 7.605 0.533 1
1 1047 . 1 1 1 A 97 97 SER HA H 436 4.450 4.580 -0.130 1
1 1050 . 1 1 1 A 97 97 SER CA C 436 58.710 57.475 1.235 1
1 1051 . 1 1 1 A 97 97 SER CB C 436 63.779 64.224 -0.445 1
1 1052 . 1 1 1 A 97 97 SER N N 436 113.591 107.894 5.697 1
1 1053 . 1 1 1 A 98 98 ASP H H 437 8.214 7.755 0.459 1
1 1054 . 1 1 1 A 98 98 ASP HA H 437 4.662 4.593 0.069 1
1 1057 . 1 1 1 A 98 98 ASP CA C 437 54.332 54.483 -0.151 1
1 1058 . 1 1 1 A 98 98 ASP CB C 437 41.198 42.183 -0.985 1
1 1059 . 1 1 1 A 98 98 ASP N N 437 121.521 123.912 -2.391 1
1 1060 . 1 1 1 A 99 99 LYS H H 438 8.062 8.965 -0.903 1
1 1061 . 1 1 1 A 99 99 LYS HA H 438 4.363 4.054 0.309 1
1 1070 . 1 1 1 A 99 99 LYS CA C 438 55.945 58.928 -2.983 1
1 1071 . 1 1 1 A 99 99 LYS CB C 438 32.720 31.998 0.722 1
1 1075 . 1 1 1 A 99 99 LYS N N 438 121.144 124.708 -3.564 1
1 1092 . 1 2 2 B 2 2 SER HA H 783 4.524 4.330 0.194 1
1 1095 . 1 2 2 B 2 2 SER CA C 783 58.053 61.020 -2.967 1
1 1096 . 1 2 2 B 2 2 SER CB C 783 64.502 63.300 1.202 1
1 1097 . 1 2 2 B 3 3 HIS HA H 784 4.721 4.872 -0.151 1
1 1102 . 1 2 2 B 3 3 HIS CA C 784 55.750 56.650 -0.900 1
1 1103 . 1 2 2 B 3 3 HIS CB C 784 30.167 32.943 -2.776 1
1 1106 . 1 2 2 B 4 4 MET HA H 785 4.495 4.784 -0.289 1
1 1114 . 1 2 2 B 4 4 MET CA C 785 55.058 54.301 0.757 1
1 1115 . 1 2 2 B 4 4 MET CB C 785 32.727 35.834 -3.107 1
1 1118 . 1 2 2 B 5 5 VAL H H 786 8.163 8.597 -0.434 1
1 1119 . 1 2 2 B 5 5 VAL HA H 786 4.464 4.285 0.179 1
1 1127 . 1 2 2 B 5 5 VAL CA C 786 59.478 60.944 -1.466 1
1 1128 . 1 2 2 B 5 5 VAL CB C 786 32.606 31.553 1.053 1
1 1131 . 1 2 2 B 5 5 VAL N N 786 122.854 123.309 -0.455 1
1 1132 . 1 2 2 B 6 6 PRO HA H 787 4.437 4.493 -0.056 1
1 1137 . 1 2 2 B 6 6 PRO CA C 787 62.667 62.407 0.260 1
1 1138 . 1 2 2 B 6 6 PRO CB C 787 32.010 31.919 0.091 1
1 1140 . 1 2 2 B 7 7 GLU H H 788 8.306 8.649 -0.343 1
1 1141 . 1 2 2 B 7 7 GLU HA H 788 4.654 4.349 0.305 1
1 1146 . 1 2 2 B 7 7 GLU CA C 788 53.568 54.288 -0.720 1
1 1147 . 1 2 2 B 7 7 GLU CB C 788 30.011 30.552 -0.541 1
1 1149 . 1 2 2 B 7 7 GLU N N 788 123.231 122.025 1.206 1
1 1150 . 1 2 2 B 8 8 PRO HA H 789 4.490 4.539 -0.049 1
1 1157 . 1 2 2 B 8 8 PRO CA C 789 62.253 62.639 -0.386 1
1 1158 . 1 2 2 B 8 8 PRO CB C 789 32.483 32.231 0.252 1
1 1161 . 1 2 2 B 9 9 ASP H H 790 8.272 8.487 -0.215 1
1 1162 . 1 2 2 B 9 9 ASP HA H 790 4.456 4.604 -0.148 1
1 1165 . 1 2 2 B 9 9 ASP CA C 790 54.137 54.064 0.073 1
1 1166 . 1 2 2 B 9 9 ASP CB C 790 41.016 40.383 0.633 1
1 1167 . 1 2 2 B 9 9 ASP N N 790 118.511 120.168 -1.657 1
1 1168 . 1 2 2 B 10 10 LEU H H 791 8.463 8.292 0.171 1
1 1169 . 1 2 2 B 10 10 LEU HA H 791 4.356 4.291 0.065 1
1 1179 . 1 2 2 B 10 10 LEU CA C 791 52.531 53.300 -0.769 1
1 1180 . 1 2 2 B 10 10 LEU CB C 791 42.609 43.134 -0.525 1
1 1184 . 1 2 2 B 10 10 LEU N N 791 121.343 127.066 -5.723 1
1 1185 . 1 2 2 B 11 11 PRO HA H 792 4.553 4.476 0.077 1
1 1192 . 1 2 2 B 11 11 PRO CA C 792 62.788 63.214 -0.426 1
1 1193 . 1 2 2 B 11 11 PRO CB C 792 32.716 31.960 0.756 1
1 1196 . 1 2 2 B 12 12 HIS HA H 793 3.989 3.959 0.030 1
1 1201 . 1 2 2 B 12 12 HIS CA C 793 60.326 59.680 0.646 1
1 1202 . 1 2 2 B 12 12 HIS CB C 793 30.803 30.112 0.691 1
1 1205 . 1 2 2 B 13 13 ASP H H 794 8.938 8.684 0.254 1
1 1206 . 1 2 2 B 13 13 ASP HA H 794 4.460 4.147 0.313 1
1 1209 . 1 2 2 B 13 13 ASP CA C 794 54.581 56.579 -1.998 1
1 1210 . 1 2 2 B 13 13 ASP CB C 794 38.061 39.483 -1.422 1
1 1211 . 1 2 2 B 13 13 ASP N N 794 114.734 118.267 -3.533 1
1 1212 . 1 2 2 B 14 14 LEU H H 795 7.674 7.608 0.066 1
1 1213 . 1 2 2 B 14 14 LEU HA H 795 4.546 4.233 0.313 1
1 1223 . 1 2 2 B 14 14 LEU CA C 795 53.478 55.732 -2.254 1
1 1224 . 1 2 2 B 14 14 LEU CB C 795 43.597 42.231 1.366 1
1 1228 . 1 2 2 B 14 14 LEU N N 795 116.056 119.468 -3.412 1
1 1229 . 1 2 2 B 15 15 ARG H H 796 7.225 7.730 -0.505 1
1 1230 . 1 2 2 B 15 15 ARG HA H 796 3.809 3.869 -0.060 1
1 1237 . 1 2 2 B 15 15 ARG CA C 796 58.744 59.607 -0.863 1
1 1238 . 1 2 2 B 15 15 ARG CB C 796 30.413 29.717 0.696 1
1 1241 . 1 2 2 B 15 15 ARG N N 796 116.434 119.756 -3.322 1
1 1242 . 1 2 2 B 16 16 HIS HA H 797 4.703 4.400 0.303 1
1 1247 . 1 2 2 B 16 16 HIS CA C 797 55.289 59.382 -4.093 1
1 1248 . 1 2 2 B 16 16 HIS CB C 797 29.538 30.102 -0.564 1
1 1251 . 1 2 2 B 17 17 LEU H H 798 6.982 7.443 -0.461 1
1 1252 . 1 2 2 B 17 17 LEU HA H 798 4.071 4.100 -0.029 1
1 1262 . 1 2 2 B 17 17 LEU CA C 798 54.807 55.284 -0.477 1
1 1263 . 1 2 2 B 17 17 LEU CB C 798 42.206 42.079 0.127 1
1 1267 . 1 2 2 B 17 17 LEU N N 798 120.399 119.987 0.412 1
1 1268 . 1 2 2 B 18 18 ASN H H 799 8.789 8.710 0.079 1
1 1269 . 1 2 2 B 18 18 ASN HA H 799 4.857 4.874 -0.017 1
1 1274 . 1 2 2 B 18 18 ASN CA C 799 52.166 53.396 -1.230 1
1 1275 . 1 2 2 B 18 18 ASN CB C 799 37.842 39.231 -1.389 1
1 1276 . 1 2 2 B 18 18 ASN N N 799 121.343 123.450 -2.107 1
1 1278 . 1 2 2 B 19 19 THR H H 800 8.585 8.636 -0.051 1
1 1279 . 1 2 2 B 19 19 THR HA H 800 4.522 4.461 0.061 1
1 1284 . 1 2 2 B 19 19 THR CA C 800 62.143 63.343 -1.200 1
1 1285 . 1 2 2 B 19 19 THR CB C 800 68.865 69.127 -0.262 1
1 1287 . 1 2 2 B 19 19 THR N N 800 115.301 118.484 -3.183 1
1 1288 . 1 2 2 B 20 20 GLU H H 801 8.415 8.503 -0.088 1
1 1289 . 1 2 2 B 20 20 GLU HA H 801 4.337 4.158 0.179 1
1 1294 . 1 2 2 B 20 20 GLU CA C 801 61.496 62.839 -1.343 1
1 1295 . 1 2 2 B 20 20 GLU CB C 801 26.493 27.651 -1.158 1
1 1297 . 1 2 2 B 20 20 GLU N N 801 125.119 122.886 2.233 1
1 1298 . 1 2 2 B 21 21 PRO HA H 802 4.422 4.268 0.154 1
1 1305 . 1 2 2 B 21 21 PRO CA C 802 64.520 65.556 -1.036 1
1 1306 . 1 2 2 B 21 21 PRO CB C 802 31.355 30.468 0.887 1
1 1309 . 1 2 2 B 22 22 MET H H 803 7.303 7.593 -0.290 1
1 1310 . 1 2 2 B 22 22 MET HA H 803 4.062 4.064 -0.002 1
1 1318 . 1 2 2 B 22 22 MET CA C 803 55.686 57.775 -2.089 1
1 1319 . 1 2 2 B 22 22 MET CB C 803 33.481 31.885 1.596 1
1 1322 . 1 2 2 B 22 22 MET N N 803 110.769 115.366 -4.597 1
1 1323 . 1 2 2 B 23 23 GLU H H 804 7.624 7.745 -0.121 1
1 1324 . 1 2 2 B 23 23 GLU HA H 804 3.918 3.945 -0.027 1
1 1329 . 1 2 2 B 23 23 GLU CA C 804 59.221 59.142 0.079 1
1 1330 . 1 2 2 B 23 23 GLU CB C 804 28.993 29.329 -0.336 1
1 1332 . 1 2 2 B 23 23 GLU N N 804 118.699 118.299 0.400 1
1 1333 . 1 2 2 B 24 24 ILE H H 805 6.626 6.728 -0.102 1
1 1334 . 1 2 2 B 24 24 ILE HA H 805 3.999 3.699 0.300 1
1 1344 . 1 2 2 B 24 24 ILE CA C 805 62.734 63.812 -1.078 1
1 1345 . 1 2 2 B 24 24 ILE CB C 805 37.574 36.925 0.649 1
1 1349 . 1 2 2 B 24 24 ILE N N 805 111.524 116.241 -4.717 1
1 1350 . 1 2 2 B 25 25 PHE H H 806 7.515 7.442 0.073 1
1 1351 . 1 2 2 B 25 25 PHE HA H 806 4.524 4.389 0.135 1
1 1358 . 1 2 2 B 25 25 PHE CA C 806 55.760 61.177 -5.417 1
1 1359 . 1 2 2 B 25 25 PHE CB C 806 38.464 38.649 -0.185 1
1 1362 . 1 2 2 B 25 25 PHE N N 806 118.322 120.959 -2.637 1
1 1363 . 1 2 2 B 26 26 ARG H H 807 7.368 7.682 -0.314 1
1 1364 . 1 2 2 B 26 26 ARG HA H 807 4.024 4.111 -0.087 1
1 1371 . 1 2 2 B 26 26 ARG CA C 807 58.864 59.028 -0.164 1
1 1372 . 1 2 2 B 26 26 ARG CB C 807 30.872 29.908 0.964 1
1 1375 . 1 2 2 B 26 26 ARG N N 807 118.888 121.650 -2.762 1
1 1376 . 1 2 2 B 27 27 ASN H H 808 8.877 8.129 0.748 1
1 1377 . 1 2 2 B 27 27 ASN HA H 808 4.732 5.013 -0.281 1
1 1382 . 1 2 2 B 27 27 ASN CA C 808 53.413 51.958 1.455 1
1 1383 . 1 2 2 B 27 27 ASN CB C 808 38.244 39.459 -1.215 1
1 1384 . 1 2 2 B 27 27 ASN N N 808 117.000 117.590 -0.590 1
1 1386 . 1 2 2 B 28 28 SER H H 809 7.969 7.946 0.023 1
1 1387 . 1 2 2 B 28 28 SER HA H 809 4.440 4.736 -0.296 1
1 1390 . 1 2 2 B 28 28 SER CA C 809 60.606 57.936 2.670 1
1 1391 . 1 2 2 B 28 28 SER CB C 809 64.021 64.466 -0.445 1
1 1392 . 1 2 2 B 28 28 SER N N 809 114.356 116.592 -2.236 1
1 1393 . 1 2 2 B 29 29 VAL HA H 810 4.304 4.767 -0.463 1
1 1401 . 1 2 2 B 29 29 VAL CA C 810 60.803 60.217 0.586 1
1 1402 . 1 2 2 B 29 29 VAL CB C 810 34.232 36.844 -2.612 1
1 1405 . 1 2 2 B 30 30 LYS H H 811 8.707 8.479 0.228 1
1 1406 . 1 2 2 B 30 30 LYS HA H 811 4.552 4.753 -0.201 1
1 1415 . 1 2 2 B 30 30 LYS CA C 811 55.058 54.922 0.136 1
1 1416 . 1 2 2 B 30 30 LYS CB C 811 31.782 33.097 -1.315 1
1 1420 . 1 2 2 B 30 30 LYS N N 811 127.196 123.660 3.536 1
1 1421 . 1 2 2 B 31 31 ILE H H 812 8.604 8.369 0.235 1
1 1422 . 1 2 2 B 31 31 ILE HA H 812 3.662 3.695 -0.033 1
1 1432 . 1 2 2 B 31 31 ILE CA C 812 64.066 64.982 -0.916 1
1 1433 . 1 2 2 B 31 31 ILE CB C 812 37.726 37.576 0.150 1
1 1437 . 1 2 2 B 31 31 ILE N N 812 125.497 124.397 1.100 1
1 1438 . 1 2 2 B 32 32 GLU H H 813 9.330 8.277 1.053 1
1 1439 . 1 2 2 B 32 32 GLU HA H 813 4.162 4.140 0.022 1
1 1444 . 1 2 2 B 32 32 GLU CA C 813 58.096 58.186 -0.090 1
1 1445 . 1 2 2 B 32 32 GLU CB C 813 28.834 30.334 -1.500 1
1 1447 . 1 2 2 B 32 32 GLU N N 813 118.888 118.717 0.171 1
1 1448 . 1 2 2 B 33 33 GLU H H 814 7.742 7.813 -0.071 1
1 1449 . 1 2 2 B 33 33 GLU HA H 814 4.334 4.431 -0.097 1
1 1454 . 1 2 2 B 33 33 GLU CA C 814 56.441 57.095 -0.654 1
1 1455 . 1 2 2 B 33 33 GLU CB C 814 30.396 30.604 -0.208 1
1 1457 . 1 2 2 B 33 33 GLU N N 814 117.566 117.301 0.265 1
1 1458 . 1 2 2 B 34 34 ILE H H 815 7.598 7.591 0.007 1
1 1459 . 1 2 2 B 34 34 ILE HA H 815 4.216 3.838 0.378 1
1 1469 . 1 2 2 B 34 34 ILE CA C 815 61.047 64.730 -3.683 1
1 1470 . 1 2 2 B 34 34 ILE CB C 815 38.712 38.229 0.483 1
1 1474 . 1 2 2 B 34 34 ILE N N 815 117.566 118.275 -0.709 1
1 1475 . 1 2 2 B 35 35 MET H H 816 8.177 7.680 0.497 1
1 1476 . 1 2 2 B 35 35 MET HA H 816 4.733 4.505 0.228 1
1 1484 . 1 2 2 B 35 35 MET CA C 816 53.461 54.094 -0.633 1
1 1485 . 1 2 2 B 35 35 MET CB C 816 32.025 33.617 -1.592 1
1 1488 . 1 2 2 B 35 35 MET N N 816 122.665 121.439 1.226 1
1 1489 . 1 2 2 B 36 36 PRO HA H 817 4.743 4.439 0.304 1
1 1496 . 1 2 2 B 36 36 PRO CA C 817 62.542 63.612 -1.070 1
1 1497 . 1 2 2 B 36 36 PRO CB C 817 34.328 32.584 1.744 1
1 1500 . 1 2 2 B 37 37 ASN H H 818 8.374 8.188 0.186 1
1 1501 . 1 2 2 B 37 37 ASN HA H 818 4.752 4.428 0.324 1
1 1504 . 1 2 2 B 37 37 ASN CA C 818 52.995 53.970 -0.975 1
1 1505 . 1 2 2 B 37 37 ASN CB C 818 38.705 36.270 2.435 1
1 1506 . 1 2 2 B 37 37 ASN N N 818 117.378 117.172 0.206 1
1 1507 . 1 2 2 B 38 38 GLY H H 819 8.314 8.180 0.134 1
1 1508 . 1 2 2 B 38 38 GLY HA2 H 819 3.937 3.795 0.142 1
1 1509 . 1 2 2 B 38 38 GLY HA3 H 819 3.994 3.797 0.197 1
1 1510 . 1 2 2 B 38 38 GLY CA C 819 45.006 47.012 -2.006 1
1 1511 . 1 2 2 B 38 38 GLY N N 819 108.881 108.624 0.257 1
1 1512 . 1 2 2 B 39 39 ASP H H 820 8.157 8.007 0.150 1
1 1513 . 1 2 2 B 39 39 ASP HA H 820 4.939 5.004 -0.065 1
1 1516 . 1 2 2 B 39 39 ASP CA C 820 51.896 51.167 0.729 1
1 1517 . 1 2 2 B 39 39 ASP CB C 820 41.672 43.923 -2.251 1
1 1518 . 1 2 2 B 39 39 ASP N N 820 121.154 116.885 4.269 1
1 1519 . 1 2 2 B 40 40 PRO HA H 821 4.483 4.353 0.130 1
1 1526 . 1 2 2 B 40 40 PRO CA C 821 63.351 65.548 -2.197 1
1 1527 . 1 2 2 B 40 40 PRO CB C 821 32.066 32.070 -0.004 1
1 1530 . 1 2 2 B 41 41 LEU H H 822 8.440 7.573 0.867 1
1 1531 . 1 2 2 B 41 41 LEU HA H 822 4.262 4.032 0.230 1
1 1541 . 1 2 2 B 41 41 LEU CA C 822 55.539 57.220 -1.681 1
1 1542 . 1 2 2 B 41 41 LEU CB C 822 41.496 40.721 0.775 1
1 1546 . 1 2 2 B 41 41 LEU N N 822 119.644 116.617 3.027 1
1 1547 . 1 2 2 B 42 42 LEU H H 823 7.863 8.079 -0.216 1
1 1548 . 1 2 2 B 42 42 LEU HA H 823 4.353 4.050 0.303 1
1 1558 . 1 2 2 B 42 42 LEU CA C 823 54.598 57.443 -2.845 1
1 1559 . 1 2 2 B 42 42 LEU CB C 823 42.025 41.516 0.509 1
1 1563 . 1 2 2 B 42 42 LEU N N 823 120.399 119.877 0.522 1
1 1564 . 1 2 2 B 43 43 ALA H H 824 8.022 8.407 -0.385 1
1 1565 . 1 2 2 B 43 43 ALA HA H 824 4.330 4.064 0.266 1
1 1569 . 1 2 2 B 43 43 ALA CA C 824 52.539 55.080 -2.541 1
1 1570 . 1 2 2 B 43 43 ALA CB C 824 19.126 18.344 0.782 1
1 1571 . 1 2 2 B 43 43 ALA N N 824 123.420 121.429 1.991 1
1 1572 . 1 2 2 B 44 44 GLY H H 825 8.346 7.957 0.389 1
1 1573 . 1 2 2 B 44 44 GLY HA2 H 825 3.973 3.922 0.051 1
1 1574 . 1 2 2 B 44 44 GLY HA3 H 825 3.973 3.924 0.049 1
1 1575 . 1 2 2 B 44 44 GLY CA C 825 45.123 47.044 -1.921 1
1 1576 . 1 2 2 B 44 44 GLY N N 825 107.559 105.743 1.816 1
1 1577 . 1 2 2 B 45 45 GLN H H 826 8.204 7.395 0.809 1
1 1578 . 1 2 2 B 45 45 GLN HA H 826 4.377 4.424 -0.047 1
1 1585 . 1 2 2 B 45 45 GLN CA C 826 55.686 56.236 -0.550 1
1 1586 . 1 2 2 B 45 45 GLN CB C 826 29.376 30.802 -1.426 1
1 1588 . 1 2 2 B 45 45 GLN N N 826 119.266 117.787 1.479 1
1 1590 . 1 2 2 B 46 46 ASN H H 827 8.556 7.683 0.873 1
1 1591 . 1 2 2 B 46 46 ASN HA H 827 4.824 4.507 0.317 1
1 1596 . 1 2 2 B 46 46 ASN CA C 827 53.216 55.135 -1.919 1
1 1597 . 1 2 2 B 46 46 ASN CB C 827 38.759 38.631 0.128 1
1 1598 . 1 2 2 B 46 46 ASN N N 827 119.266 118.885 0.381 1
1 1600 . 1 2 2 B 47 47 THR H H 828 8.127 7.592 0.535 1
1 1601 . 1 2 2 B 47 47 THR HA H 828 4.414 4.109 0.305 1
1 1606 . 1 2 2 B 47 47 THR CA C 828 61.564 63.889 -2.325 1
1 1607 . 1 2 2 B 47 47 THR CB C 828 69.507 69.077 0.430 1
1 1609 . 1 2 2 B 47 47 THR N N 828 113.790 109.007 4.783 1
1 1610 . 1 2 2 B 48 48 VAL H H 829 8.140 7.307 0.833 1
1 1611 . 1 2 2 B 48 48 VAL HA H 829 4.091 4.141 -0.050 1
1 1619 . 1 2 2 B 48 48 VAL CA C 829 62.146 60.418 1.728 1
1 1620 . 1 2 2 B 48 48 VAL CB C 829 32.515 34.647 -2.132 1
1 1623 . 1 2 2 B 48 48 VAL N N 829 120.776 117.140 3.636 1
1 1624 . 1 2 2 B 49 49 ASP H H 830 8.287 8.756 -0.469 1
1 1625 . 1 2 2 B 49 49 ASP HA H 830 4.617 5.120 -0.503 1
1 1628 . 1 2 2 B 49 49 ASP CA C 830 54.308 52.361 1.947 1
1 1629 . 1 2 2 B 49 49 ASP CB C 830 41.241 44.580 -3.339 1
1 1630 . 1 2 2 B 49 49 ASP N N 830 123.042 122.867 0.175 1
1 1631 . 1 2 2 B 50 50 GLU H H 831 8.242 9.073 -0.831 1
1 1632 . 1 2 2 B 50 50 GLU HA H 831 4.261 4.121 0.140 1
1 1637 . 1 2 2 B 50 50 GLU CA C 831 56.521 59.404 -2.883 1
1 1638 . 1 2 2 B 50 50 GLU CB C 831 30.209 29.004 1.205 1
1 1640 . 1 2 2 B 50 50 GLU N N 831 120.776 123.130 -2.354 1
1 1641 . 1 2 2 B 51 51 VAL H H 832 8.044 7.776 0.268 1
1 1642 . 1 2 2 B 51 51 VAL HA H 832 3.988 3.804 0.184 1
1 1650 . 1 2 2 B 51 51 VAL CA C 832 62.472 65.517 -3.045 1
1 1651 . 1 2 2 B 51 51 VAL CB C 832 32.278 31.422 0.856 1
1 1654 . 1 2 2 B 51 51 VAL N N 832 120.021 116.917 3.104 1
1 1655 . 1 2 2 B 52 52 TYR H H 833 8.148 7.922 0.226 1
1 1656 . 1 2 2 B 52 52 TYR HA H 833 4.598 4.316 0.282 1
1 1663 . 1 2 2 B 52 52 TYR CA C 833 57.743 61.582 -3.839 1
1 1664 . 1 2 2 B 52 52 TYR CB C 833 38.702 38.431 0.271 1
1 1667 . 1 2 2 B 52 52 TYR N N 833 122.854 123.420 -0.566 1
1 1668 . 1 2 2 B 53 53 VAL H H 834 7.868 6.916 0.952 1
1 1669 . 1 2 2 B 53 53 VAL HA H 834 4.114 4.578 -0.464 1
1 1677 . 1 2 2 B 53 53 VAL CA C 834 61.508 60.585 0.923 1
1 1678 . 1 2 2 B 53 53 VAL CB C 834 33.010 32.099 0.911 1
1 1681 . 1 2 2 B 53 53 VAL N N 834 121.721 110.493 11.228 1
1 1682 . 1 2 2 B 54 54 SER H H 835 8.237 8.041 0.196 1
1 1683 . 1 2 2 B 54 54 SER HA H 835 4.422 4.104 0.318 1
1 1686 . 1 2 2 B 54 54 SER CA C 835 57.823 58.961 -1.138 1
1 1687 . 1 2 2 B 54 54 SER CB C 835 63.437 61.392 2.045 1
1 1688 . 1 2 2 B 54 54 SER N N 835 119.077 117.196 1.881 1
1 1689 . 1 2 2 B 55 55 ARG H H 836 8.284 7.748 0.536 1
1 1690 . 1 2 2 B 55 55 ARG HA H 836 4.701 4.301 0.400 1
1 1697 . 1 2 2 B 55 55 ARG CA C 836 53.601 54.353 -0.752 1
1 1698 . 1 2 2 B 55 55 ARG CB C 836 30.394 31.554 -1.160 1
1 1701 . 1 2 2 B 55 55 ARG N N 836 123.798 121.796 2.002 1
1 1702 . 1 2 2 B 56 56 PRO HA H 837 4.485 4.490 -0.005 1
1 1709 . 1 2 2 B 56 56 PRO CA C 837 63.351 64.230 -0.879 1
1 1710 . 1 2 2 B 56 56 PRO CB C 837 31.795 32.003 -0.208 1
1 7 . 2 1 1 A 2 2 THR HA H 341 4.462 4.295 0.167 1
1 12 . 2 1 1 A 2 2 THR CA C 341 61.936 63.715 -1.779 1
1 13 . 2 1 1 A 2 2 THR CB C 341 69.770 69.144 0.626 1
1 15 . 2 1 1 A 3 3 GLY HA2 H 342 4.141 4.362 -0.221 1
1 16 . 2 1 1 A 3 3 GLY HA3 H 342 4.238 4.362 -0.124 1
1 17 . 2 1 1 A 3 3 GLY CA C 342 44.424 45.733 -1.309 1
1 18 . 2 1 1 A 4 4 PRO HA H 343 4.567 4.465 0.102 1
1 25 . 2 1 1 A 4 4 PRO CA C 343 63.088 64.601 -1.513 1
1 26 . 2 1 1 A 4 4 PRO CB C 343 32.443 32.065 0.378 1
1 29 . 2 1 1 A 5 5 THR H H 344 8.284 8.369 -0.085 1
1 30 . 2 1 1 A 5 5 THR HA H 344 4.342 4.607 -0.265 1
1 35 . 2 1 1 A 5 5 THR CA C 344 61.936 61.125 0.811 1
1 36 . 2 1 1 A 5 5 THR CB C 344 69.539 69.124 0.415 1
1 38 . 2 1 1 A 5 5 THR N N 344 113.968 108.632 5.336 1
1 39 . 2 1 1 A 6 6 ALA H H 345 8.269 7.265 1.004 1
1 40 . 2 1 1 A 6 6 ALA HA H 345 4.434 4.222 0.212 1
1 44 . 2 1 1 A 6 6 ALA CA C 345 52.028 52.931 -0.903 1
1 45 . 2 1 1 A 6 6 ALA CB C 345 19.771 19.532 0.239 1
1 46 . 2 1 1 A 6 6 ALA N N 345 126.619 126.181 0.438 1
1 47 . 2 1 1 A 7 7 ASP H H 346 8.454 8.559 -0.105 1
1 48 . 2 1 1 A 7 7 ASP HA H 346 4.917 4.930 -0.013 1
1 51 . 2 1 1 A 7 7 ASP CA C 346 52.719 51.770 0.949 1
1 52 . 2 1 1 A 7 7 ASP CB C 346 41.659 41.596 0.063 1
1 53 . 2 1 1 A 7 7 ASP N N 346 120.766 122.074 -1.308 1
1 54 . 2 1 1 A 8 8 PRO HA H 347 4.398 4.256 0.142 1
1 61 . 2 1 1 A 8 8 PRO CA C 347 64.931 65.530 -0.599 1
1 62 . 2 1 1 A 8 8 PRO CB C 347 32.388 31.771 0.617 1
1 65 . 2 1 1 A 9 9 GLU H H 348 8.113 8.049 0.064 1
1 66 . 2 1 1 A 9 9 GLU HA H 348 4.154 4.103 0.051 1
1 71 . 2 1 1 A 9 9 GLU CB C 348 30.138 29.402 0.736 1
1 73 . 2 1 1 A 9 9 GLU N N 348 116.423 118.108 -1.685 1
1 74 . 2 1 1 A 10 10 LYS H H 349 7.699 8.110 -0.411 1
1 75 . 2 1 1 A 10 10 LYS HA H 349 3.982 3.980 0.002 1
1 84 . 2 1 1 A 10 10 LYS CA C 349 60.092 59.495 0.597 1
1 85 . 2 1 1 A 10 10 LYS CB C 349 32.558 32.100 0.458 1
1 89 . 2 1 1 A 10 10 LYS N N 349 119.255 120.012 -0.757 1
1 90 . 2 1 1 A 11 11 ARG H H 350 7.845 8.149 -0.304 1
1 91 . 2 1 1 A 11 11 ARG HA H 350 3.656 3.911 -0.255 1
1 98 . 2 1 1 A 11 11 ARG CA C 350 60.092 59.294 0.798 1
1 99 . 2 1 1 A 11 11 ARG CB C 350 28.295 29.978 -1.683 1
1 102 . 2 1 1 A 11 11 ARG N N 350 117.178 119.588 -2.410 1
1 103 . 2 1 1 A 12 12 LYS H H 351 7.888 7.461 0.427 1
1 104 . 2 1 1 A 12 12 LYS HA H 351 4.198 4.168 0.030 1
1 109 . 2 1 1 A 12 12 LYS CA C 351 59.631 59.465 0.166 1
1 110 . 2 1 1 A 12 12 LYS CB C 351 32.673 32.385 0.288 1
1 112 . 2 1 1 A 12 12 LYS N N 351 117.745 118.247 -0.502 1
1 113 . 2 1 1 A 13 13 LEU H H 352 7.696 7.892 -0.196 1
1 114 . 2 1 1 A 13 13 LEU HA H 352 4.259 4.031 0.228 1
1 124 . 2 1 1 A 13 13 LEU CA C 352 58.019 58.019 0.000 1
1 125 . 2 1 1 A 13 13 LEU CB C 352 42.120 41.810 0.310 1
1 129 . 2 1 1 A 13 13 LEU N N 352 119.444 120.112 -0.668 1
1 130 . 2 1 1 A 14 14 ILE H H 353 7.831 7.517 0.314 1
1 131 . 2 1 1 A 14 14 ILE HA H 353 3.648 3.790 -0.142 1
1 141 . 2 1 1 A 14 14 ILE CA C 353 65.392 64.251 1.141 1
1 142 . 2 1 1 A 14 14 ILE CB C 353 38.203 37.515 0.688 1
1 146 . 2 1 1 A 14 14 ILE N N 353 118.311 115.657 2.654 1
1 147 . 2 1 1 A 15 15 GLN H H 354 8.178 7.944 0.234 1
1 148 . 2 1 1 A 15 15 GLN HA H 354 3.791 3.853 -0.062 1
1 155 . 2 1 1 A 15 15 GLN CA C 354 59.631 59.022 0.609 1
1 156 . 2 1 1 A 15 15 GLN CB C 354 30.369 28.201 2.168 1
1 158 . 2 1 1 A 15 15 GLN N N 354 116.423 121.052 -4.629 1
1 160 . 2 1 1 A 16 16 GLN H H 355 8.192 8.196 -0.004 1
1 161 . 2 1 1 A 16 16 GLN HA H 355 3.799 4.049 -0.250 1
1 168 . 2 1 1 A 16 16 GLN CA C 355 59.171 59.023 0.148 1
1 169 . 2 1 1 A 16 16 GLN CB C 355 28.986 28.544 0.442 1
1 171 . 2 1 1 A 16 16 GLN N N 355 117.178 118.684 -1.506 1
1 173 . 2 1 1 A 17 17 GLN H H 356 7.970 7.837 0.133 1
1 174 . 2 1 1 A 17 17 GLN HA H 356 3.136 4.005 -0.869 1
1 181 . 2 1 1 A 17 17 GLN CA C 356 60.323 58.627 1.696 1
1 182 . 2 1 1 A 17 17 GLN CB C 356 27.143 28.160 -1.017 1
1 184 . 2 1 1 A 17 17 GLN N N 356 118.311 119.625 -1.314 1
1 186 . 2 1 1 A 18 18 LEU H H 357 8.408 8.231 0.177 1
1 187 . 2 1 1 A 18 18 LEU HA H 357 3.863 3.962 -0.099 1
1 197 . 2 1 1 A 18 18 LEU CA C 357 58.710 58.340 0.370 1
1 198 . 2 1 1 A 18 18 LEU CB C 357 40.968 41.876 -0.908 1
1 202 . 2 1 1 A 18 18 LEU N N 357 117.934 120.999 -3.065 1
1 203 . 2 1 1 A 19 19 VAL H H 358 8.544 8.210 0.334 1
1 204 . 2 1 1 A 19 19 VAL HA H 358 3.479 3.447 0.032 1
1 212 . 2 1 1 A 19 19 VAL CA C 358 66.544 66.851 -0.307 1
1 213 . 2 1 1 A 19 19 VAL CB C 358 31.060 31.214 -0.154 1
1 216 . 2 1 1 A 19 19 VAL N N 358 116.423 119.151 -2.728 1
1 217 . 2 1 1 A 20 20 LEU H H 359 7.820 7.955 -0.135 1
1 218 . 2 1 1 A 20 20 LEU HA H 359 3.952 3.956 -0.004 1
1 228 . 2 1 1 A 20 20 LEU CA C 359 58.019 58.006 0.013 1
1 229 . 2 1 1 A 20 20 LEU CB C 359 42.696 41.313 1.383 1
1 233 . 2 1 1 A 20 20 LEU N N 359 120.955 120.118 0.837 1
1 234 . 2 1 1 A 21 21 LEU H H 360 8.278 7.900 0.378 1
1 235 . 2 1 1 A 21 21 LEU HA H 360 3.868 4.079 -0.211 1
1 245 . 2 1 1 A 21 21 LEU CA C 360 58.710 57.978 0.732 1
1 246 . 2 1 1 A 21 21 LEU CB C 360 42.811 41.536 1.275 1
1 250 . 2 1 1 A 21 21 LEU N N 360 121.144 119.781 1.363 1
1 251 . 2 1 1 A 22 22 LEU H H 361 8.331 8.175 0.156 1
1 252 . 2 1 1 A 22 22 LEU HA H 361 3.919 3.927 -0.008 1
1 262 . 2 1 1 A 22 22 LEU CA C 361 57.788 58.098 -0.310 1
1 263 . 2 1 1 A 22 22 LEU CB C 361 41.083 41.286 -0.203 1
1 267 . 2 1 1 A 22 22 LEU N N 361 118.500 118.067 0.433 1
1 268 . 2 1 1 A 23 23 HIS H H 362 8.620 8.457 0.163 1
1 269 . 2 1 1 A 23 23 HIS HA H 362 4.114 4.271 -0.157 1
1 274 . 2 1 1 A 23 23 HIS CA C 362 60.323 59.633 0.690 1
1 275 . 2 1 1 A 23 23 HIS CB C 362 27.834 29.754 -1.920 1
1 278 . 2 1 1 A 23 23 HIS N N 362 117.934 118.138 -0.204 1
1 279 . 2 1 1 A 24 24 ALA H H 363 9.049 8.402 0.647 1
1 280 . 2 1 1 A 24 24 ALA HA H 363 3.954 3.963 -0.009 1
1 284 . 2 1 1 A 24 24 ALA CA C 363 55.253 55.128 0.125 1
1 285 . 2 1 1 A 24 24 ALA CB C 363 19.079 17.750 1.329 1
1 286 . 2 1 1 A 24 24 ALA N N 363 121.710 120.621 1.089 1
1 287 . 2 1 1 A 25 25 HIS H H 364 7.955 8.070 -0.115 1
1 288 . 2 1 1 A 25 25 HIS HA H 364 4.130 4.205 -0.075 1
1 293 . 2 1 1 A 25 25 HIS CA C 364 60.092 59.715 0.377 1
1 294 . 2 1 1 A 25 25 HIS CB C 364 31.060 30.188 0.872 1
1 297 . 2 1 1 A 25 25 HIS N N 364 115.856 118.490 -2.634 1
1 298 . 2 1 1 A 26 26 LYS H H 365 7.053 7.663 -0.610 1
1 299 . 2 1 1 A 26 26 LYS HA H 365 4.014 3.630 0.384 1
1 302 . 2 1 1 A 26 26 LYS CA C 365 57.788 59.516 -1.728 1
1 303 . 2 1 1 A 26 26 LYS CB C 365 32.903 32.292 0.611 1
1 304 . 2 1 1 A 26 26 LYS N N 365 117.178 118.740 -1.562 1
1 305 . 2 1 1 A 27 27 CYS H H 366 8.592 8.198 0.394 1
1 306 . 2 1 1 A 27 27 CYS HA H 366 3.741 3.992 -0.251 1
1 309 . 2 1 1 A 27 27 CYS CA C 366 62.396 62.273 0.123 1
1 310 . 2 1 1 A 27 27 CYS CB C 366 29.678 26.629 3.049 1
1 311 . 2 1 1 A 27 27 CYS N N 366 123.976 119.441 4.535 1
1 312 . 2 1 1 A 28 28 GLN H H 367 8.349 8.590 -0.241 1
1 313 . 2 1 1 A 28 28 GLN HA H 367 4.283 4.139 0.144 1
1 320 . 2 1 1 A 28 28 GLN CA C 367 57.327 58.770 -1.443 1
1 321 . 2 1 1 A 28 28 GLN CB C 367 29.217 28.528 0.689 1
1 323 . 2 1 1 A 28 28 GLN N N 367 119.444 120.404 -0.960 1
1 325 . 2 1 1 A 29 29 ARG H H 368 7.635 7.489 0.146 1
1 326 . 2 1 1 A 29 29 ARG HA H 368 4.169 4.179 -0.010 1
1 333 . 2 1 1 A 29 29 ARG CA C 368 57.558 57.134 0.424 1
1 334 . 2 1 1 A 29 29 ARG CB C 368 29.908 30.564 -0.656 1
1 337 . 2 1 1 A 29 29 ARG N N 368 119.444 118.825 0.619 1
1 338 . 2 1 1 A 30 30 ARG H H 369 8.018 7.868 0.150 1
1 339 . 2 1 1 A 30 30 ARG HA H 369 4.260 3.992 0.268 1
1 346 . 2 1 1 A 30 30 ARG CA C 369 57.558 59.721 -2.163 1
1 347 . 2 1 1 A 30 30 ARG CB C 369 30.599 29.942 0.657 1
1 350 . 2 1 1 A 30 30 ARG N N 369 120.388 119.529 0.859 1
1 351 . 2 1 1 A 31 31 GLU H H 370 8.208 8.344 -0.136 1
1 352 . 2 1 1 A 31 31 GLU HA H 370 4.236 4.483 -0.247 1
1 357 . 2 1 1 A 31 31 GLU CA C 370 57.788 58.332 -0.544 1
1 358 . 2 1 1 A 31 31 GLU CB C 370 30.369 29.421 0.948 1
1 360 . 2 1 1 A 31 31 GLU N N 370 120.388 118.155 2.233 1
1 361 . 2 1 1 A 32 32 GLN H H 371 8.165 8.049 0.116 1
1 362 . 2 1 1 A 32 32 GLN HA H 371 4.313 4.209 0.104 1
1 367 . 2 1 1 A 32 32 GLN CA C 371 56.636 58.241 -1.605 1
1 368 . 2 1 1 A 32 32 GLN CB C 371 29.217 28.994 0.223 1
1 370 . 2 1 1 A 32 32 GLN N N 371 118.878 120.429 -1.551 1
1 371 . 2 1 1 A 33 33 ALA H H 372 8.095 8.035 0.060 1
1 372 . 2 1 1 A 33 33 ALA HA H 372 4.327 4.187 0.140 1
1 376 . 2 1 1 A 33 33 ALA CA C 372 53.180 53.342 -0.162 1
1 377 . 2 1 1 A 33 33 ALA CB C 372 19.079 19.146 -0.067 1
1 378 . 2 1 1 A 33 33 ALA N N 372 123.032 121.096 1.936 1
1 379 . 2 1 1 A 34 34 ASN H H 373 8.186 8.282 -0.096 1
1 380 . 2 1 1 A 34 34 ASN HA H 373 4.735 5.033 -0.298 1
1 383 . 2 1 1 A 34 34 ASN CA C 373 53.410 55.031 -1.621 1
1 384 . 2 1 1 A 34 34 ASN CB C 373 38.894 41.270 -2.376 1
1 385 . 2 1 1 A 34 34 ASN N N 373 115.479 115.713 -0.234 1
1 386 . 2 1 1 A 35 35 GLY H H 374 8.266 6.986 1.280 1
1 387 . 2 1 1 A 35 35 GLY HA2 H 374 3.943 4.056 -0.113 1
1 388 . 2 1 1 A 35 35 GLY HA3 H 374 4.044 4.057 -0.013 1
1 389 . 2 1 1 A 35 35 GLY CA C 374 45.576 45.375 0.201 1
1 390 . 2 1 1 A 35 35 GLY N N 374 108.492 103.968 4.524 1
1 391 . 2 1 1 A 36 36 GLU H H 375 8.132 8.767 -0.635 1
1 392 . 2 1 1 A 36 36 GLU HA H 375 4.368 4.379 -0.011 1
1 397 . 2 1 1 A 36 36 GLU CA C 375 55.945 56.366 -0.421 1
1 398 . 2 1 1 A 36 36 GLU CB C 375 30.369 28.526 1.843 1
1 400 . 2 1 1 A 36 36 GLU N N 375 119.822 119.557 0.265 1
1 401 . 2 1 1 A 37 37 VAL H H 376 8.132 8.176 -0.044 1
1 402 . 2 1 1 A 37 37 VAL HA H 376 4.139 4.902 -0.763 1
1 410 . 2 1 1 A 37 37 VAL CA C 376 62.166 59.730 2.436 1
1 411 . 2 1 1 A 37 37 VAL CB C 376 32.673 35.568 -2.895 1
1 414 . 2 1 1 A 37 37 VAL N N 376 121.144 122.087 -0.943 1
1 415 . 2 1 1 A 38 38 ARG H H 377 8.455 8.850 -0.395 1
1 416 . 2 1 1 A 38 38 ARG HA H 377 4.392 4.686 -0.294 1
1 423 . 2 1 1 A 38 38 ARG CA C 377 55.253 55.226 0.027 1
1 424 . 2 1 1 A 38 38 ARG CB C 377 31.060 30.117 0.943 1
1 427 . 2 1 1 A 38 38 ARG N N 377 125.109 126.180 -1.071 1
1 428 . 2 1 1 A 39 39 ALA H H 378 8.384 8.260 0.124 1
1 429 . 2 1 1 A 39 39 ALA HA H 378 4.287 4.270 0.017 1
1 433 . 2 1 1 A 39 39 ALA CA C 378 52.028 52.839 -0.811 1
1 434 . 2 1 1 A 39 39 ALA CB C 378 19.540 18.773 0.767 1
1 435 . 2 1 1 A 39 39 ALA N N 378 126.053 122.660 3.393 1
1 436 . 2 1 1 A 40 40 CYS H H 379 8.480 7.447 1.033 1
1 437 . 2 1 1 A 40 40 CYS HA H 379 4.344 4.438 -0.094 1
1 440 . 2 1 1 A 40 40 CYS CA C 379 60.092 59.539 0.553 1
1 441 . 2 1 1 A 40 40 CYS CB C 379 30.138 28.608 1.530 1
1 442 . 2 1 1 A 40 40 CYS N N 379 123.787 118.813 4.974 1
1 443 . 2 1 1 A 41 41 SER HA H 380 4.588 4.704 -0.116 1
1 446 . 2 1 1 A 41 41 SER CA C 380 57.788 57.748 0.040 1
1 447 . 2 1 1 A 41 41 SER CB C 380 63.779 64.943 -1.164 1
1 448 . 2 1 1 A 42 42 LEU H H 381 8.642 6.869 1.773 1
1 449 . 2 1 1 A 42 42 LEU HA H 381 4.488 4.279 0.209 1
1 459 . 2 1 1 A 42 42 LEU CA C 381 53.871 53.648 0.223 1
1 460 . 2 1 1 A 42 42 LEU CB C 381 41.659 42.318 -0.659 1
1 464 . 2 1 1 A 42 42 LEU N N 381 129.074 124.333 4.741 1
1 465 . 2 1 1 A 43 43 PRO HA H 382 4.095 4.088 0.007 1
1 472 . 2 1 1 A 43 43 PRO CA C 382 64.470 64.775 -0.305 1
1 473 . 2 1 1 A 43 43 PRO CB C 382 31.751 31.462 0.289 1
1 476 . 2 1 1 A 44 44 HIS H H 383 8.014 8.041 -0.027 1
1 477 . 2 1 1 A 44 44 HIS HA H 383 4.527 4.954 -0.427 1
1 482 . 2 1 1 A 44 44 HIS CA C 383 58.249 55.093 3.156 1
1 483 . 2 1 1 A 44 44 HIS CB C 383 30.369 30.113 0.256 1
1 486 . 2 1 1 A 44 44 HIS N N 383 110.569 113.465 -2.896 1
1 487 . 2 1 1 A 45 45 CYS H H 384 7.729 7.785 -0.056 1
1 488 . 2 1 1 A 45 45 CYS HA H 384 4.023 3.947 0.076 1
1 491 . 2 1 1 A 45 45 CYS CA C 384 64.470 62.590 1.880 1
1 492 . 2 1 1 A 45 45 CYS CB C 384 28.756 26.427 2.329 1
1 493 . 2 1 1 A 45 45 CYS N N 384 124.165 120.692 3.473 1
1 494 . 2 1 1 A 46 46 ARG H H 385 8.239 8.035 0.204 1
1 495 . 2 1 1 A 46 46 ARG HA H 385 3.978 4.126 -0.148 1
1 502 . 2 1 1 A 46 46 ARG CA C 385 59.401 58.784 0.617 1
1 503 . 2 1 1 A 46 46 ARG CB C 385 28.986 30.066 -1.080 1
1 506 . 2 1 1 A 46 46 ARG N N 385 116.612 119.509 -2.897 1
1 507 . 2 1 1 A 47 47 THR H H 386 7.496 8.182 -0.686 1
1 508 . 2 1 1 A 47 47 THR HA H 386 4.008 3.916 0.092 1
1 513 . 2 1 1 A 47 47 THR CA C 386 65.853 67.029 -1.176 1
1 514 . 2 1 1 A 47 47 THR CB C 386 68.387 68.403 -0.016 1
1 516 . 2 1 1 A 47 47 THR N N 386 114.346 116.446 -2.100 1
1 517 . 2 1 1 A 48 48 MET H H 387 8.216 8.019 0.197 1
1 518 . 2 1 1 A 48 48 MET HA H 387 4.622 4.057 0.565 1
1 526 . 2 1 1 A 48 48 MET CA C 387 56.636 59.103 -2.467 1
1 527 . 2 1 1 A 48 48 MET CB C 387 31.291 32.791 -1.500 1
1 530 . 2 1 1 A 48 48 MET N N 387 119.444 118.342 1.102 1
1 531 . 2 1 1 A 49 49 LYS H H 388 9.306 8.275 1.031 1
1 532 . 2 1 1 A 49 49 LYS HA H 388 3.923 4.020 -0.097 1
1 541 . 2 1 1 A 49 49 LYS CA C 388 61.244 60.263 0.981 1
1 542 . 2 1 1 A 49 49 LYS CB C 388 32.903 32.432 0.471 1
1 546 . 2 1 1 A 49 49 LYS N N 388 122.276 118.316 3.960 1
1 547 . 2 1 1 A 50 50 ASN H H 389 8.069 8.172 -0.103 1
1 548 . 2 1 1 A 50 50 ASN HA H 389 4.629 4.590 0.039 1
1 553 . 2 1 1 A 50 50 ASN CA C 389 56.175 56.142 0.033 1
1 554 . 2 1 1 A 50 50 ASN CB C 389 37.512 38.658 -1.146 1
1 555 . 2 1 1 A 50 50 ASN N N 389 117.178 118.029 -0.851 1
1 557 . 2 1 1 A 51 51 VAL H H 390 8.116 7.818 0.298 1
1 558 . 2 1 1 A 51 51 VAL HA H 390 3.803 3.703 0.100 1
1 566 . 2 1 1 A 51 51 VAL CA C 390 67.235 66.383 0.852 1
1 567 . 2 1 1 A 51 51 VAL CB C 390 31.751 31.455 0.296 1
1 570 . 2 1 1 A 51 51 VAL N N 390 123.598 119.785 3.813 1
1 571 . 2 1 1 A 52 52 LEU H H 391 8.735 8.397 0.338 1
1 572 . 2 1 1 A 52 52 LEU HA H 391 4.123 4.056 0.067 1
1 582 . 2 1 1 A 52 52 LEU CA C 391 58.479 58.242 0.237 1
1 583 . 2 1 1 A 52 52 LEU CB C 391 41.659 41.514 0.145 1
1 587 . 2 1 1 A 52 52 LEU N N 391 120.955 119.819 1.136 1
1 588 . 2 1 1 A 53 53 ASN H H 392 8.231 8.390 -0.159 1
1 589 . 2 1 1 A 53 53 ASN HA H 392 4.561 4.420 0.141 1
1 594 . 2 1 1 A 53 53 ASN CA C 392 56.175 56.594 -0.419 1
1 595 . 2 1 1 A 53 53 ASN CB C 392 38.433 37.706 0.727 1
1 596 . 2 1 1 A 53 53 ASN N N 392 116.801 116.916 -0.115 1
1 598 . 2 1 1 A 54 54 HIS H H 393 8.049 8.272 -0.223 1
1 599 . 2 1 1 A 54 54 HIS HA H 393 4.418 4.344 0.074 1
1 604 . 2 1 1 A 54 54 HIS CA C 393 59.401 60.144 -0.743 1
1 605 . 2 1 1 A 54 54 HIS CB C 393 27.604 30.124 -2.520 1
1 608 . 2 1 1 A 54 54 HIS N N 393 120.011 120.498 -0.487 1
1 609 . 2 1 1 A 55 55 MET H H 394 9.118 8.608 0.510 1
1 610 . 2 1 1 A 55 55 MET HA H 394 3.704 3.997 -0.293 1
1 618 . 2 1 1 A 55 55 MET CA C 394 59.401 58.410 0.991 1
1 619 . 2 1 1 A 55 55 MET CB C 394 34.286 32.522 1.764 1
1 622 . 2 1 1 A 55 55 MET N N 394 119.066 116.894 2.172 1
1 623 . 2 1 1 A 56 56 THR H H 395 7.521 7.547 -0.026 1
1 624 . 2 1 1 A 56 56 THR HA H 395 3.915 4.161 -0.246 1
1 629 . 2 1 1 A 56 56 THR CA C 395 65.392 64.346 1.046 1
1 630 . 2 1 1 A 56 56 THR CB C 395 69.309 68.089 1.220 1
1 632 . 2 1 1 A 56 56 THR N N 395 110.758 114.985 -4.227 1
1 633 . 2 1 1 A 57 57 HIS H H 396 7.023 7.801 -0.778 1
1 634 . 2 1 1 A 57 57 HIS HA H 396 4.846 4.715 0.131 1
1 639 . 2 1 1 A 57 57 HIS CA C 396 55.023 56.226 -1.203 1
1 640 . 2 1 1 A 57 57 HIS CB C 396 30.830 31.791 -0.961 1
1 643 . 2 1 1 A 57 57 HIS N N 396 115.668 115.921 -0.253 1
1 644 . 2 1 1 A 58 58 CYS H H 397 7.134 7.535 -0.401 1
1 645 . 2 1 1 A 58 58 CYS HA H 397 4.048 4.123 -0.075 1
1 648 . 2 1 1 A 58 58 CYS CA C 397 60.784 60.092 0.692 1
1 649 . 2 1 1 A 58 58 CYS CB C 397 29.678 27.904 1.774 1
1 650 . 2 1 1 A 58 58 CYS N N 397 123.598 118.457 5.141 1
1 651 . 2 1 1 A 59 59 GLN HA H 398 4.710 4.680 0.030 1
1 656 . 2 1 1 A 59 59 GLN CA C 398 55.023 55.446 -0.423 1
1 657 . 2 1 1 A 59 59 GLN CB C 398 29.678 29.692 -0.014 1
1 659 . 2 1 1 A 60 60 ALA H H 399 8.689 7.349 1.340 1
1 660 . 2 1 1 A 60 60 ALA HA H 399 4.414 4.284 0.130 1
1 664 . 2 1 1 A 60 60 ALA CA C 399 52.949 51.918 1.031 1
1 665 . 2 1 1 A 60 60 ALA CB C 399 20.001 19.078 0.923 1
1 666 . 2 1 1 A 60 60 ALA N N 399 124.731 122.865 1.866 1
1 667 . 2 1 1 A 61 61 GLY H H 400 8.166 8.333 -0.167 1
1 668 . 2 1 1 A 61 61 GLY HA2 H 400 3.621 3.910 -0.289 1
1 669 . 2 1 1 A 61 61 GLY HA3 H 400 3.976 3.912 0.064 1
1 670 . 2 1 1 A 61 61 GLY CA C 400 46.267 46.625 -0.358 1
1 671 . 2 1 1 A 61 61 GLY N N 400 107.926 107.467 0.459 1
1 672 . 2 1 1 A 62 62 LYS HA H 401 4.138 4.403 -0.265 1
1 673 . 2 1 1 A 62 62 LYS CA C 401 58.479 56.484 1.995 1
1 674 . 2 1 1 A 63 63 ALA H H 402 7.671 7.629 0.042 1
1 675 . 2 1 1 A 63 63 ALA HA H 402 4.448 4.526 -0.078 1
1 679 . 2 1 1 A 63 63 ALA CA C 402 51.336 51.336 0.000 1
1 680 . 2 1 1 A 63 63 ALA CB C 402 19.079 20.514 -1.435 1
1 681 . 2 1 1 A 63 63 ALA N N 402 119.444 121.737 -2.293 1
1 682 . 2 1 1 A 64 64 CYS H H 403 7.497 7.645 -0.148 1
1 683 . 2 1 1 A 64 64 CYS HA H 403 3.857 4.366 -0.509 1
1 686 . 2 1 1 A 64 64 CYS CA C 403 62.396 59.550 2.846 1
1 687 . 2 1 1 A 64 64 CYS CB C 403 29.908 28.478 1.430 1
1 688 . 2 1 1 A 64 64 CYS N N 403 121.899 118.515 3.384 1
1 689 . 2 1 1 A 65 65 GLN H H 404 9.025 8.740 0.285 1
1 690 . 2 1 1 A 65 65 GLN HA H 404 4.463 4.064 0.399 1
1 697 . 2 1 1 A 65 65 GLN CA C 404 55.673 57.680 -2.007 1
1 698 . 2 1 1 A 65 65 GLN CB C 404 29.332 28.738 0.594 1
1 700 . 2 1 1 A 65 65 GLN N N 404 128.885 125.592 3.293 1
1 702 . 2 1 1 A 66 66 VAL H H 405 9.337 7.301 2.036 1
1 703 . 2 1 1 A 66 66 VAL HA H 405 3.631 4.162 -0.531 1
1 711 . 2 1 1 A 66 66 VAL CA C 405 64.240 62.831 1.409 1
1 712 . 2 1 1 A 66 66 VAL CB C 405 30.830 31.019 -0.189 1
1 715 . 2 1 1 A 66 66 VAL N N 405 127.752 119.027 8.725 1
1 716 . 2 1 1 A 67 67 ALA H H 406 8.581 8.718 -0.137 1
1 717 . 2 1 1 A 67 67 ALA HA H 406 3.761 3.894 -0.133 1
1 721 . 2 1 1 A 67 67 ALA CA C 406 54.101 55.178 -1.077 1
1 722 . 2 1 1 A 67 67 ALA CB C 406 17.467 18.262 -0.795 1
1 723 . 2 1 1 A 67 67 ALA N N 406 133.983 130.610 3.373 1
1 724 . 2 1 1 A 68 68 HIS H H 407 8.099 7.656 0.443 1
1 725 . 2 1 1 A 68 68 HIS HA H 407 4.407 4.543 -0.136 1
1 730 . 2 1 1 A 68 68 HIS CA C 407 57.327 58.577 -1.250 1
1 731 . 2 1 1 A 68 68 HIS CB C 407 29.447 29.928 -0.481 1
1 734 . 2 1 1 A 68 68 HIS N N 407 110.569 114.325 -3.756 1
1 735 . 2 1 1 A 69 69 CYS H H 408 8.086 7.727 0.359 1
1 736 . 2 1 1 A 69 69 CYS HA H 408 4.163 4.103 0.060 1
1 739 . 2 1 1 A 69 69 CYS CA C 408 64.240 62.211 2.029 1
1 740 . 2 1 1 A 69 69 CYS CB C 408 29.908 27.214 2.694 1
1 741 . 2 1 1 A 69 69 CYS N N 408 126.619 118.932 7.687 1
1 742 . 2 1 1 A 70 70 ALA H H 409 8.728 7.721 1.007 1
1 743 . 2 1 1 A 70 70 ALA HA H 409 4.333 4.082 0.251 1
1 747 . 2 1 1 A 70 70 ALA CA C 409 55.253 55.445 -0.192 1
1 748 . 2 1 1 A 70 70 ALA CB C 409 17.697 18.018 -0.321 1
1 749 . 2 1 1 A 70 70 ALA N N 409 118.689 123.095 -4.406 1
1 750 . 2 1 1 A 71 71 SER H H 410 9.179 8.279 0.900 1
1 751 . 2 1 1 A 71 71 SER HA H 410 4.138 4.216 -0.078 1
1 754 . 2 1 1 A 71 71 SER CA C 410 60.323 61.897 -1.574 1
1 755 . 2 1 1 A 71 71 SER CB C 410 61.244 62.693 -1.449 1
1 756 . 2 1 1 A 71 71 SER N N 410 114.535 113.233 1.302 1
1 757 . 2 1 1 A 72 72 SER H H 411 7.937 8.126 -0.189 1
1 758 . 2 1 1 A 72 72 SER HA H 411 4.048 4.126 -0.078 1
1 762 . 2 1 1 A 72 72 SER CA C 411 64.240 61.881 2.359 1
1 763 . 2 1 1 A 72 72 SER CB C 411 62.396 62.937 -0.541 1
1 764 . 2 1 1 A 72 72 SER N N 411 120.766 116.995 3.771 1
1 765 . 2 1 1 A 73 73 ARG H H 412 8.835 8.326 0.509 1
1 766 . 2 1 1 A 73 73 ARG HA H 412 3.855 3.990 -0.135 1
1 773 . 2 1 1 A 73 73 ARG CA C 412 60.323 59.779 0.544 1
1 774 . 2 1 1 A 73 73 ARG CB C 412 30.369 29.741 0.628 1
1 777 . 2 1 1 A 73 73 ARG N N 412 122.276 121.335 0.941 1
1 778 . 2 1 1 A 74 74 GLN H H 413 7.873 7.477 0.396 1
1 779 . 2 1 1 A 74 74 GLN HA H 413 4.182 4.164 0.018 1
1 786 . 2 1 1 A 74 74 GLN CA C 413 58.710 58.498 0.212 1
1 787 . 2 1 1 A 74 74 GLN CB C 413 29.447 28.724 0.723 1
1 789 . 2 1 1 A 74 74 GLN N N 413 118.689 118.478 0.211 1
1 791 . 2 1 1 A 75 75 ILE H H 414 8.754 8.414 0.340 1
1 792 . 2 1 1 A 75 75 ILE HA H 414 3.617 3.998 -0.381 1
1 802 . 2 1 1 A 75 75 ILE CA C 414 66.544 64.592 1.952 1
1 803 . 2 1 1 A 75 75 ILE CB C 414 38.664 37.544 1.120 1
1 807 . 2 1 1 A 75 75 ILE N N 414 121.710 120.098 1.612 1
1 808 . 2 1 1 A 76 76 ILE H H 415 8.856 8.438 0.418 1
1 809 . 2 1 1 A 76 76 ILE HA H 415 3.863 3.647 0.216 1
1 819 . 2 1 1 A 76 76 ILE CA C 415 64.701 65.432 -0.731 1
1 820 . 2 1 1 A 76 76 ILE CB C 415 37.051 37.977 -0.926 1
1 824 . 2 1 1 A 76 76 ILE N N 415 120.199 122.941 -2.742 1
1 825 . 2 1 1 A 77 77 SER H H 416 7.981 8.069 -0.088 1
1 826 . 2 1 1 A 77 77 SER HA H 416 4.153 4.233 -0.080 1
1 829 . 2 1 1 A 77 77 SER CA C 416 62.166 62.227 -0.061 1
1 830 . 2 1 1 A 77 77 SER CB C 416 62.627 62.980 -0.353 1
1 831 . 2 1 1 A 77 77 SER N N 416 114.346 116.229 -1.883 1
1 832 . 2 1 1 A 78 78 HIS H H 417 8.126 7.535 0.591 1
1 833 . 2 1 1 A 78 78 HIS HA H 417 4.154 4.412 -0.258 1
1 838 . 2 1 1 A 78 78 HIS CA C 417 60.553 59.557 0.996 1
1 839 . 2 1 1 A 78 78 HIS CB C 417 28.065 30.073 -2.008 1
1 842 . 2 1 1 A 78 78 HIS N N 417 118.878 121.195 -2.317 1
1 843 . 2 1 1 A 79 79 TRP H H 418 8.417 7.822 0.595 1
1 844 . 2 1 1 A 79 79 TRP HA H 418 4.451 4.179 0.272 1
1 853 . 2 1 1 A 79 79 TRP CA C 418 59.862 60.259 -0.397 1
1 854 . 2 1 1 A 79 79 TRP CB C 418 30.369 29.726 0.643 1
1 860 . 2 1 1 A 79 79 TRP N N 418 119.255 121.490 -2.235 1
1 862 . 2 1 1 A 80 80 LYS H H 419 8.412 8.192 0.220 1
1 863 . 2 1 1 A 80 80 LYS HA H 419 3.714 4.023 -0.309 1
1 872 . 2 1 1 A 80 80 LYS CA C 419 58.710 58.349 0.361 1
1 873 . 2 1 1 A 80 80 LYS CB C 419 32.673 32.318 0.355 1
1 877 . 2 1 1 A 80 80 LYS N N 419 115.101 118.325 -3.224 1
1 878 . 2 1 1 A 81 81 ASN H H 420 7.416 7.836 -0.420 1
1 879 . 2 1 1 A 81 81 ASN HA H 420 4.713 4.749 -0.036 1
1 884 . 2 1 1 A 81 81 ASN CA C 420 53.410 53.923 -0.513 1
1 885 . 2 1 1 A 81 81 ASN CB C 420 40.737 41.454 -0.717 1
1 886 . 2 1 1 A 81 81 ASN N N 420 113.968 114.477 -0.509 1
1 888 . 2 1 1 A 82 82 CYS H H 421 7.617 7.671 -0.054 1
1 889 . 2 1 1 A 82 82 CYS HA H 421 3.986 4.288 -0.302 1
1 892 . 2 1 1 A 82 82 CYS CA C 421 61.244 60.108 1.136 1
1 893 . 2 1 1 A 82 82 CYS CB C 421 28.756 27.948 0.808 1
1 894 . 2 1 1 A 82 82 CYS N N 421 124.354 118.163 6.191 1
1 895 . 2 1 1 A 83 83 THR H H 422 8.535 8.535 0.000 1
1 896 . 2 1 1 A 83 83 THR HA H 422 4.527 4.669 -0.142 1
1 901 . 2 1 1 A 83 83 THR CA C 422 60.553 61.040 -0.487 1
1 902 . 2 1 1 A 83 83 THR CB C 422 69.309 70.510 -1.201 1
1 904 . 2 1 1 A 83 83 THR N N 422 118.500 116.700 1.800 1
1 905 . 2 1 1 A 84 84 ARG HA H 423 4.448 4.108 0.340 1
1 912 . 2 1 1 A 84 84 ARG CA C 423 56.175 56.573 -0.398 1
1 913 . 2 1 1 A 84 84 ARG CB C 423 31.521 30.762 0.759 1
1 916 . 2 1 1 A 85 85 HIS HA H 424 4.391 4.515 -0.124 1
1 921 . 2 1 1 A 85 85 HIS CA C 424 58.479 57.693 0.786 1
1 922 . 2 1 1 A 85 85 HIS CB C 424 30.138 29.065 1.073 1
1 925 . 2 1 1 A 86 86 ASP H H 425 7.962 8.052 -0.090 1
1 926 . 2 1 1 A 86 86 ASP HA H 425 4.525 4.711 -0.186 1
1 929 . 2 1 1 A 86 86 ASP CA C 425 51.567 53.007 -1.440 1
1 930 . 2 1 1 A 86 86 ASP CB C 425 39.585 41.661 -2.076 1
1 931 . 2 1 1 A 86 86 ASP N N 425 116.612 116.274 0.338 1
1 932 . 2 1 1 A 87 87 CYS H H 426 6.974 7.069 -0.095 1
1 933 . 2 1 1 A 87 87 CYS HA H 426 4.247 4.479 -0.232 1
1 936 . 2 1 1 A 87 87 CYS CA C 426 57.558 57.811 -0.253 1
1 937 . 2 1 1 A 87 87 CYS CB C 426 31.291 28.802 2.489 1
1 938 . 2 1 1 A 87 87 CYS N N 426 122.276 120.586 1.690 1
1 939 . 2 1 1 A 88 88 PRO HA H 427 4.445 4.341 0.104 1
1 944 . 2 1 1 A 88 88 PRO CA C 427 64.009 65.501 -1.492 1
1 945 . 2 1 1 A 88 88 PRO CB C 427 32.558 31.786 0.772 1
1 947 . 2 1 1 A 89 89 VAL H H 428 8.460 7.291 1.169 1
1 948 . 2 1 1 A 89 89 VAL HA H 428 3.719 3.795 -0.076 1
1 956 . 2 1 1 A 89 89 VAL CA C 428 65.622 64.970 0.652 1
1 957 . 2 1 1 A 89 89 VAL CB C 428 33.134 31.933 1.201 1
1 960 . 2 1 1 A 89 89 VAL N N 428 119.822 115.823 3.999 1
1 961 . 2 1 1 A 90 90 CYS H H 429 8.729 8.236 0.493 1
1 962 . 2 1 1 A 90 90 CYS HA H 429 4.225 4.235 -0.010 1
1 965 . 2 1 1 A 90 90 CYS CA C 429 63.779 62.242 1.537 1
1 966 . 2 1 1 A 90 90 CYS CB C 429 31.291 26.527 4.764 1
1 967 . 2 1 1 A 90 90 CYS N N 429 118.878 117.662 1.216 1
1 968 . 2 1 1 A 91 91 LEU H H 430 7.907 8.175 -0.268 1
1 969 . 2 1 1 A 91 91 LEU HA H 430 4.214 4.094 0.120 1
1 979 . 2 1 1 A 91 91 LEU CA C 430 60.323 60.211 0.112 1
1 980 . 2 1 1 A 91 91 LEU CB C 430 39.125 40.200 -1.075 1
1 984 . 2 1 1 A 91 91 LEU N N 430 118.878 123.036 -4.158 1
1 985 . 2 1 1 A 92 92 PRO HA H 431 4.460 4.347 0.113 1
1 992 . 2 1 1 A 92 92 PRO CA C 431 65.161 65.735 -0.574 1
1 993 . 2 1 1 A 92 92 PRO CB C 431 31.291 30.775 0.516 1
1 996 . 2 1 1 A 93 93 LEU H H 432 7.459 7.362 0.097 1
1 997 . 2 1 1 A 93 93 LEU HA H 432 4.359 3.864 0.495 1
1 1007 . 2 1 1 A 93 93 LEU CA C 432 55.945 57.404 -1.459 1
1 1008 . 2 1 1 A 93 93 LEU CB C 432 42.350 40.892 1.458 1
1 1012 . 2 1 1 A 93 93 LEU N N 432 115.290 116.262 -0.972 1
1 1013 . 2 1 1 A 94 94 LYS H H 433 7.975 8.516 -0.541 1
1 1014 . 2 1 1 A 94 94 LYS HA H 433 4.390 4.267 0.123 1
1 1022 . 2 1 1 A 94 94 LYS CA C 433 57.558 59.729 -2.171 1
1 1023 . 2 1 1 A 94 94 LYS CB C 433 33.134 32.058 1.076 1
1 1027 . 2 1 1 A 94 94 LYS N N 433 119.255 118.296 0.959 1
1 1028 . 2 1 1 A 95 95 ASN H H 434 8.368 8.052 0.316 1
1 1029 . 2 1 1 A 95 95 ASN HA H 434 4.733 4.475 0.258 1
1 1034 . 2 1 1 A 95 95 ASN CA C 434 53.410 56.017 -2.607 1
1 1035 . 2 1 1 A 95 95 ASN CB C 434 38.894 38.159 0.735 1
1 1036 . 2 1 1 A 95 95 ASN N N 434 117.934 118.167 -0.233 1
1 1038 . 2 1 1 A 96 96 ALA H H 435 8.040 8.411 -0.371 1
1 1039 . 2 1 1 A 96 96 ALA HA H 435 4.376 4.162 0.214 1
1 1043 . 2 1 1 A 96 96 ALA CA C 435 52.949 54.135 -1.186 1
1 1044 . 2 1 1 A 96 96 ALA CB C 435 19.310 18.472 0.838 1
1 1045 . 2 1 1 A 96 96 ALA N N 435 123.221 121.811 1.410 1
1 1046 . 2 1 1 A 97 97 SER H H 436 8.138 7.700 0.438 1
1 1047 . 2 1 1 A 97 97 SER HA H 436 4.450 4.713 -0.263 1
1 1050 . 2 1 1 A 97 97 SER CA C 436 58.710 57.436 1.274 1
1 1051 . 2 1 1 A 97 97 SER CB C 436 63.779 64.975 -1.196 1
1 1052 . 2 1 1 A 97 97 SER N N 436 113.591 108.229 5.362 1
1 1053 . 2 1 1 A 98 98 ASP H H 437 8.214 7.701 0.513 1
1 1054 . 2 1 1 A 98 98 ASP HA H 437 4.662 4.940 -0.278 1
1 1057 . 2 1 1 A 98 98 ASP CA C 437 54.332 53.106 1.226 1
1 1058 . 2 1 1 A 98 98 ASP CB C 437 41.198 41.768 -0.570 1
1 1059 . 2 1 1 A 98 98 ASP N N 437 121.521 121.702 -0.181 1
1 1060 . 2 1 1 A 99 99 LYS H H 438 8.062 7.385 0.677 1
1 1061 . 2 1 1 A 99 99 LYS HA H 438 4.363 4.186 0.177 1
1 1070 . 2 1 1 A 99 99 LYS CA C 438 55.945 58.486 -2.541 1
1 1071 . 2 1 1 A 99 99 LYS CB C 438 32.720 32.201 0.519 1
1 1075 . 2 1 1 A 99 99 LYS N N 438 121.144 122.817 -1.673 1
1 1092 . 2 2 2 B 2 2 SER HA H 783 4.524 4.953 -0.429 1
1 1095 . 2 2 2 B 2 2 SER CA C 783 58.053 56.498 1.555 1
1 1096 . 2 2 2 B 2 2 SER CB C 783 64.502 65.275 -0.773 1
1 1097 . 2 2 2 B 3 3 HIS HA H 784 4.721 4.299 0.422 1
1 1102 . 2 2 2 B 3 3 HIS CA C 784 55.750 58.798 -3.048 1
1 1103 . 2 2 2 B 3 3 HIS CB C 784 30.167 29.249 0.918 1
1 1106 . 2 2 2 B 4 4 MET HA H 785 4.495 4.118 0.377 1
1 1114 . 2 2 2 B 4 4 MET CA C 785 55.058 56.953 -1.895 1
1 1115 . 2 2 2 B 4 4 MET CB C 785 32.727 32.296 0.431 1
1 1118 . 2 2 2 B 5 5 VAL H H 786 8.163 7.006 1.157 1
1 1119 . 2 2 2 B 5 5 VAL HA H 786 4.464 4.765 -0.301 1
1 1127 . 2 2 2 B 5 5 VAL CA C 786 59.478 58.136 1.342 1
1 1128 . 2 2 2 B 5 5 VAL CB C 786 32.606 34.385 -1.779 1
1 1131 . 2 2 2 B 5 5 VAL N N 786 122.854 116.350 6.504 1
1 1132 . 2 2 2 B 6 6 PRO HA H 787 4.437 4.543 -0.106 1
1 1137 . 2 2 2 B 6 6 PRO CA C 787 62.667 62.696 -0.029 1
1 1138 . 2 2 2 B 6 6 PRO CB C 787 32.010 31.899 0.111 1
1 1140 . 2 2 2 B 7 7 GLU H H 788 8.306 8.446 -0.140 1
1 1141 . 2 2 2 B 7 7 GLU HA H 788 4.654 4.319 0.335 1
1 1146 . 2 2 2 B 7 7 GLU CA C 788 53.568 54.609 -1.041 1
1 1147 . 2 2 2 B 7 7 GLU CB C 788 30.011 30.756 -0.745 1
1 1149 . 2 2 2 B 7 7 GLU N N 788 123.231 122.431 0.800 1
1 1150 . 2 2 2 B 8 8 PRO HA H 789 4.490 4.507 -0.017 1
1 1157 . 2 2 2 B 8 8 PRO CA C 789 62.253 62.564 -0.311 1
1 1158 . 2 2 2 B 8 8 PRO CB C 789 32.483 32.091 0.392 1
1 1161 . 2 2 2 B 9 9 ASP H H 790 8.272 8.399 -0.127 1
1 1162 . 2 2 2 B 9 9 ASP HA H 790 4.456 4.676 -0.220 1
1 1165 . 2 2 2 B 9 9 ASP CA C 790 54.137 53.792 0.345 1
1 1166 . 2 2 2 B 9 9 ASP CB C 790 41.016 39.944 1.072 1
1 1167 . 2 2 2 B 9 9 ASP N N 790 118.511 120.650 -2.139 1
1 1168 . 2 2 2 B 10 10 LEU H H 791 8.463 8.273 0.190 1
1 1169 . 2 2 2 B 10 10 LEU HA H 791 4.356 4.257 0.099 1
1 1179 . 2 2 2 B 10 10 LEU CA C 791 52.531 53.237 -0.706 1
1 1180 . 2 2 2 B 10 10 LEU CB C 791 42.609 43.112 -0.503 1
1 1184 . 2 2 2 B 10 10 LEU N N 791 121.343 127.063 -5.720 1
1 1185 . 2 2 2 B 11 11 PRO HA H 792 4.553 4.257 0.296 1
1 1192 . 2 2 2 B 11 11 PRO CA C 792 62.788 63.110 -0.322 1
1 1193 . 2 2 2 B 11 11 PRO CB C 792 32.716 32.094 0.622 1
1 1196 . 2 2 2 B 12 12 HIS HA H 793 3.989 4.159 -0.170 1
1 1201 . 2 2 2 B 12 12 HIS CA C 793 60.326 59.400 0.926 1
1 1202 . 2 2 2 B 12 12 HIS CB C 793 30.803 29.570 1.233 1
1 1205 . 2 2 2 B 13 13 ASP H H 794 8.938 8.818 0.120 1
1 1206 . 2 2 2 B 13 13 ASP HA H 794 4.460 4.342 0.118 1
1 1209 . 2 2 2 B 13 13 ASP CA C 794 54.581 56.785 -2.204 1
1 1210 . 2 2 2 B 13 13 ASP CB C 794 38.061 39.641 -1.580 1
1 1211 . 2 2 2 B 13 13 ASP N N 794 114.734 118.125 -3.391 1
1 1212 . 2 2 2 B 14 14 LEU H H 795 7.674 7.701 -0.027 1
1 1213 . 2 2 2 B 14 14 LEU HA H 795 4.546 4.286 0.260 1
1 1223 . 2 2 2 B 14 14 LEU CA C 795 53.478 55.866 -2.388 1
1 1224 . 2 2 2 B 14 14 LEU CB C 795 43.597 42.320 1.277 1
1 1228 . 2 2 2 B 14 14 LEU N N 795 116.056 119.759 -3.703 1
1 1229 . 2 2 2 B 15 15 ARG H H 796 7.225 8.277 -1.052 1
1 1230 . 2 2 2 B 15 15 ARG HA H 796 3.809 3.930 -0.121 1
1 1237 . 2 2 2 B 15 15 ARG CA C 796 58.744 59.922 -1.178 1
1 1238 . 2 2 2 B 15 15 ARG CB C 796 30.413 29.665 0.748 1
1 1241 . 2 2 2 B 15 15 ARG N N 796 116.434 119.420 -2.986 1
1 1242 . 2 2 2 B 16 16 HIS HA H 797 4.703 4.495 0.208 1
1 1247 . 2 2 2 B 16 16 HIS CA C 797 55.289 58.859 -3.570 1
1 1248 . 2 2 2 B 16 16 HIS CB C 797 29.538 29.955 -0.417 1
1 1251 . 2 2 2 B 17 17 LEU H H 798 6.982 7.404 -0.422 1
1 1252 . 2 2 2 B 17 17 LEU HA H 798 4.071 4.119 -0.048 1
1 1262 . 2 2 2 B 17 17 LEU CA C 798 54.807 55.254 -0.447 1
1 1263 . 2 2 2 B 17 17 LEU CB C 798 42.206 42.036 0.170 1
1 1267 . 2 2 2 B 17 17 LEU N N 798 120.399 120.315 0.084 1
1 1268 . 2 2 2 B 18 18 ASN H H 799 8.789 8.630 0.159 1
1 1269 . 2 2 2 B 18 18 ASN HA H 799 4.857 4.883 -0.026 1
1 1274 . 2 2 2 B 18 18 ASN CA C 799 52.166 52.702 -0.536 1
1 1275 . 2 2 2 B 18 18 ASN CB C 799 37.842 38.549 -0.707 1
1 1276 . 2 2 2 B 18 18 ASN N N 799 121.343 123.160 -1.817 1
1 1278 . 2 2 2 B 19 19 THR H H 800 8.585 8.593 -0.008 1
1 1279 . 2 2 2 B 19 19 THR HA H 800 4.522 4.386 0.136 1
1 1284 . 2 2 2 B 19 19 THR CA C 800 62.143 63.406 -1.263 1
1 1285 . 2 2 2 B 19 19 THR CB C 800 68.865 69.165 -0.300 1
1 1287 . 2 2 2 B 19 19 THR N N 800 115.301 118.110 -2.809 1
1 1288 . 2 2 2 B 20 20 GLU H H 801 8.415 8.366 0.049 1
1 1289 . 2 2 2 B 20 20 GLU HA H 801 4.337 4.148 0.189 1
1 1294 . 2 2 2 B 20 20 GLU CA C 801 61.496 62.526 -1.030 1
1 1295 . 2 2 2 B 20 20 GLU CB C 801 26.493 27.886 -1.393 1
1 1297 . 2 2 2 B 20 20 GLU N N 801 125.119 123.056 2.063 1
1 1298 . 2 2 2 B 21 21 PRO HA H 802 4.422 4.318 0.104 1
1 1305 . 2 2 2 B 21 21 PRO CA C 802 64.520 65.085 -0.565 1
1 1306 . 2 2 2 B 21 21 PRO CB C 802 31.355 30.916 0.439 1
1 1309 . 2 2 2 B 22 22 MET H H 803 7.303 7.643 -0.340 1
1 1310 . 2 2 2 B 22 22 MET HA H 803 4.062 4.067 -0.005 1
1 1318 . 2 2 2 B 22 22 MET CA C 803 55.686 57.662 -1.976 1
1 1319 . 2 2 2 B 22 22 MET CB C 803 33.481 31.794 1.687 1
1 1322 . 2 2 2 B 22 22 MET N N 803 110.769 116.145 -5.376 1
1 1323 . 2 2 2 B 23 23 GLU H H 804 7.624 7.667 -0.043 1
1 1324 . 2 2 2 B 23 23 GLU HA H 804 3.918 3.942 -0.024 1
1 1329 . 2 2 2 B 23 23 GLU CA C 804 59.221 59.152 0.069 1
1 1330 . 2 2 2 B 23 23 GLU CB C 804 28.993 29.362 -0.369 1
1 1332 . 2 2 2 B 23 23 GLU N N 804 118.699 118.301 0.398 1
1 1333 . 2 2 2 B 24 24 ILE H H 805 6.626 7.209 -0.583 1
1 1334 . 2 2 2 B 24 24 ILE HA H 805 3.999 3.703 0.296 1
1 1344 . 2 2 2 B 24 24 ILE CA C 805 62.734 64.002 -1.268 1
1 1345 . 2 2 2 B 24 24 ILE CB C 805 37.574 37.054 0.520 1
1 1349 . 2 2 2 B 24 24 ILE N N 805 111.524 116.381 -4.857 1
1 1350 . 2 2 2 B 25 25 PHE H H 806 7.515 7.526 -0.011 1
1 1351 . 2 2 2 B 25 25 PHE HA H 806 4.524 4.385 0.139 1
1 1358 . 2 2 2 B 25 25 PHE CA C 806 55.760 61.828 -6.068 1
1 1359 . 2 2 2 B 25 25 PHE CB C 806 38.464 38.371 0.093 1
1 1362 . 2 2 2 B 25 25 PHE N N 806 118.322 121.063 -2.741 1
1 1363 . 2 2 2 B 26 26 ARG H H 807 7.368 7.729 -0.361 1
1 1364 . 2 2 2 B 26 26 ARG HA H 807 4.024 4.113 -0.089 1
1 1371 . 2 2 2 B 26 26 ARG CA C 807 58.864 59.133 -0.269 1
1 1372 . 2 2 2 B 26 26 ARG CB C 807 30.872 29.970 0.902 1
1 1375 . 2 2 2 B 26 26 ARG N N 807 118.888 121.682 -2.794 1
1 1376 . 2 2 2 B 27 27 ASN H H 808 8.877 8.059 0.818 1
1 1377 . 2 2 2 B 27 27 ASN HA H 808 4.732 5.081 -0.349 1
1 1382 . 2 2 2 B 27 27 ASN CA C 808 53.413 51.920 1.493 1
1 1383 . 2 2 2 B 27 27 ASN CB C 808 38.244 39.618 -1.374 1
1 1384 . 2 2 2 B 27 27 ASN N N 808 117.000 117.452 -0.452 1
1 1386 . 2 2 2 B 28 28 SER H H 809 7.969 7.811 0.158 1
1 1387 . 2 2 2 B 28 28 SER HA H 809 4.440 4.767 -0.327 1
1 1390 . 2 2 2 B 28 28 SER CA C 809 60.606 57.933 2.673 1
1 1391 . 2 2 2 B 28 28 SER CB C 809 64.021 64.951 -0.930 1
1 1392 . 2 2 2 B 28 28 SER N N 809 114.356 116.801 -2.445 1
1 1393 . 2 2 2 B 29 29 VAL HA H 810 4.304 4.771 -0.467 1
1 1401 . 2 2 2 B 29 29 VAL CA C 810 60.803 60.226 0.577 1
1 1402 . 2 2 2 B 29 29 VAL CB C 810 34.232 36.800 -2.568 1
1 1405 . 2 2 2 B 30 30 LYS H H 811 8.707 8.479 0.228 1
1 1406 . 2 2 2 B 30 30 LYS HA H 811 4.552 4.747 -0.195 1
1 1415 . 2 2 2 B 30 30 LYS CA C 811 55.058 54.930 0.128 1
1 1416 . 2 2 2 B 30 30 LYS CB C 811 31.782 33.084 -1.302 1
1 1420 . 2 2 2 B 30 30 LYS N N 811 127.196 123.969 3.227 1
1 1421 . 2 2 2 B 31 31 ILE H H 812 8.604 8.382 0.222 1
1 1422 . 2 2 2 B 31 31 ILE HA H 812 3.662 3.754 -0.092 1
1 1432 . 2 2 2 B 31 31 ILE CA C 812 64.066 64.933 -0.867 1
1 1433 . 2 2 2 B 31 31 ILE CB C 812 37.726 37.735 -0.009 1
1 1437 . 2 2 2 B 31 31 ILE N N 812 125.497 124.824 0.673 1
1 1438 . 2 2 2 B 32 32 GLU H H 813 9.330 8.270 1.060 1
1 1439 . 2 2 2 B 32 32 GLU HA H 813 4.162 4.185 -0.023 1
1 1444 . 2 2 2 B 32 32 GLU CA C 813 58.096 57.804 0.292 1
1 1445 . 2 2 2 B 32 32 GLU CB C 813 28.834 30.379 -1.545 1
1 1447 . 2 2 2 B 32 32 GLU N N 813 118.888 118.867 0.021 1
1 1448 . 2 2 2 B 33 33 GLU H H 814 7.742 7.767 -0.025 1
1 1449 . 2 2 2 B 33 33 GLU HA H 814 4.334 4.425 -0.091 1
1 1454 . 2 2 2 B 33 33 GLU CA C 814 56.441 57.418 -0.977 1
1 1455 . 2 2 2 B 33 33 GLU CB C 814 30.396 30.447 -0.051 1
1 1457 . 2 2 2 B 33 33 GLU N N 814 117.566 117.536 0.030 1
1 1458 . 2 2 2 B 34 34 ILE H H 815 7.598 7.534 0.064 1
1 1459 . 2 2 2 B 34 34 ILE HA H 815 4.216 3.911 0.305 1
1 1469 . 2 2 2 B 34 34 ILE CA C 815 61.047 64.728 -3.681 1
1 1470 . 2 2 2 B 34 34 ILE CB C 815 38.712 38.171 0.541 1
1 1474 . 2 2 2 B 34 34 ILE N N 815 117.566 118.093 -0.527 1
1 1475 . 2 2 2 B 35 35 MET H H 816 8.177 7.511 0.666 1
1 1476 . 2 2 2 B 35 35 MET HA H 816 4.733 4.525 0.208 1
1 1484 . 2 2 2 B 35 35 MET CA C 816 53.461 53.900 -0.439 1
1 1485 . 2 2 2 B 35 35 MET CB C 816 32.025 33.690 -1.665 1
1 1488 . 2 2 2 B 35 35 MET N N 816 122.665 121.396 1.269 1
1 1489 . 2 2 2 B 36 36 PRO HA H 817 4.743 4.376 0.367 1
1 1496 . 2 2 2 B 36 36 PRO CA C 817 62.542 64.002 -1.460 1
1 1497 . 2 2 2 B 36 36 PRO CB C 817 34.328 31.898 2.430 1
1 1500 . 2 2 2 B 37 37 ASN H H 818 8.374 8.088 0.286 1
1 1501 . 2 2 2 B 37 37 ASN HA H 818 4.752 4.427 0.325 1
1 1504 . 2 2 2 B 37 37 ASN CA C 818 52.995 54.411 -1.416 1
1 1505 . 2 2 2 B 37 37 ASN CB C 818 38.705 37.475 1.230 1
1 1506 . 2 2 2 B 37 37 ASN N N 818 117.378 116.795 0.583 1
1 1507 . 2 2 2 B 38 38 GLY H H 819 8.314 8.228 0.086 1
1 1508 . 2 2 2 B 38 38 GLY HA2 H 819 3.937 3.812 0.125 1
1 1509 . 2 2 2 B 38 38 GLY HA3 H 819 3.994 3.813 0.181 1
1 1510 . 2 2 2 B 38 38 GLY CA C 819 45.006 46.574 -1.568 1
1 1511 . 2 2 2 B 38 38 GLY N N 819 108.881 107.197 1.684 1
1 1512 . 2 2 2 B 39 39 ASP H H 820 8.157 7.995 0.162 1
1 1513 . 2 2 2 B 39 39 ASP HA H 820 4.939 4.979 -0.040 1
1 1516 . 2 2 2 B 39 39 ASP CA C 820 51.896 51.539 0.357 1
1 1517 . 2 2 2 B 39 39 ASP CB C 820 41.672 44.121 -2.449 1
1 1518 . 2 2 2 B 39 39 ASP N N 820 121.154 116.546 4.608 1
1 1519 . 2 2 2 B 40 40 PRO HA H 821 4.483 4.347 0.136 1
1 1526 . 2 2 2 B 40 40 PRO CA C 821 63.351 64.987 -1.636 1
1 1527 . 2 2 2 B 40 40 PRO CB C 821 32.066 32.134 -0.068 1
1 1530 . 2 2 2 B 41 41 LEU H H 822 8.440 7.572 0.868 1
1 1531 . 2 2 2 B 41 41 LEU HA H 822 4.262 4.099 0.163 1
1 1541 . 2 2 2 B 41 41 LEU CA C 822 55.539 56.913 -1.374 1
1 1542 . 2 2 2 B 41 41 LEU CB C 822 41.496 41.193 0.303 1
1 1546 . 2 2 2 B 41 41 LEU N N 822 119.644 116.573 3.071 1
1 1547 . 2 2 2 B 42 42 LEU H H 823 7.863 7.896 -0.033 1
1 1548 . 2 2 2 B 42 42 LEU HA H 823 4.353 4.184 0.169 1
1 1558 . 2 2 2 B 42 42 LEU CA C 823 54.598 56.966 -2.368 1
1 1559 . 2 2 2 B 42 42 LEU CB C 823 42.025 41.769 0.256 1
1 1563 . 2 2 2 B 42 42 LEU N N 823 120.399 120.613 -0.214 1
1 1564 . 2 2 2 B 43 43 ALA H H 824 8.022 7.905 0.117 1
1 1565 . 2 2 2 B 43 43 ALA HA H 824 4.330 4.090 0.240 1
1 1569 . 2 2 2 B 43 43 ALA CA C 824 52.539 55.481 -2.942 1
1 1570 . 2 2 2 B 43 43 ALA CB C 824 19.126 18.313 0.813 1
1 1571 . 2 2 2 B 43 43 ALA N N 824 123.420 121.351 2.069 1
1 1572 . 2 2 2 B 44 44 GLY H H 825 8.346 8.488 -0.142 1
1 1573 . 2 2 2 B 44 44 GLY HA2 H 825 3.973 3.987 -0.014 1
1 1574 . 2 2 2 B 44 44 GLY HA3 H 825 3.973 3.990 -0.017 1
1 1575 . 2 2 2 B 44 44 GLY CA C 825 45.123 46.841 -1.718 1
1 1576 . 2 2 2 B 44 44 GLY N N 825 107.559 105.353 2.206 1
1 1577 . 2 2 2 B 45 45 GLN H H 826 8.204 8.005 0.199 1
1 1578 . 2 2 2 B 45 45 GLN HA H 826 4.377 4.478 -0.101 1
1 1585 . 2 2 2 B 45 45 GLN CA C 826 55.686 56.318 -0.632 1
1 1586 . 2 2 2 B 45 45 GLN CB C 826 29.376 30.767 -1.391 1
1 1588 . 2 2 2 B 45 45 GLN N N 826 119.266 117.707 1.559 1
1 1590 . 2 2 2 B 46 46 ASN H H 827 8.556 8.399 0.157 1
1 1591 . 2 2 2 B 46 46 ASN HA H 827 4.824 4.515 0.309 1
1 1596 . 2 2 2 B 46 46 ASN CA C 827 53.216 55.068 -1.852 1
1 1597 . 2 2 2 B 46 46 ASN CB C 827 38.759 39.078 -0.319 1
1 1598 . 2 2 2 B 46 46 ASN N N 827 119.266 117.644 1.622 1
1 1600 . 2 2 2 B 47 47 THR H H 828 8.127 7.403 0.724 1
1 1601 . 2 2 2 B 47 47 THR HA H 828 4.414 4.426 -0.012 1
1 1606 . 2 2 2 B 47 47 THR CA C 828 61.564 59.764 1.800 1
1 1607 . 2 2 2 B 47 47 THR CB C 828 69.507 70.411 -0.904 1
1 1609 . 2 2 2 B 47 47 THR N N 828 113.790 111.365 2.425 1
1 1610 . 2 2 2 B 48 48 VAL H H 829 8.140 8.246 -0.106 1
1 1611 . 2 2 2 B 48 48 VAL HA H 829 4.091 3.062 1.029 1
1 1619 . 2 2 2 B 48 48 VAL CA C 829 62.146 63.284 -1.138 1
1 1620 . 2 2 2 B 48 48 VAL CB C 829 32.515 31.288 1.227 1
1 1623 . 2 2 2 B 48 48 VAL N N 829 120.776 123.450 -2.674 1
1 1624 . 2 2 2 B 49 49 ASP H H 830 8.287 8.843 -0.556 1
1 1625 . 2 2 2 B 49 49 ASP HA H 830 4.617 4.918 -0.301 1
1 1628 . 2 2 2 B 49 49 ASP CA C 830 54.308 52.746 1.562 1
1 1629 . 2 2 2 B 49 49 ASP CB C 830 41.241 43.397 -2.156 1
1 1630 . 2 2 2 B 49 49 ASP N N 830 123.042 128.100 -5.058 1
1 1631 . 2 2 2 B 50 50 GLU H H 831 8.242 8.768 -0.526 1
1 1632 . 2 2 2 B 50 50 GLU HA H 831 4.261 4.105 0.156 1
1 1637 . 2 2 2 B 50 50 GLU CA C 831 56.521 59.271 -2.750 1
1 1638 . 2 2 2 B 50 50 GLU CB C 831 30.209 29.318 0.891 1
1 1640 . 2 2 2 B 50 50 GLU N N 831 120.776 121.387 -0.611 1
1 1641 . 2 2 2 B 51 51 VAL H H 832 8.044 7.681 0.363 1
1 1642 . 2 2 2 B 51 51 VAL HA H 832 3.988 4.096 -0.108 1
1 1650 . 2 2 2 B 51 51 VAL CA C 832 62.472 62.558 -0.086 1
1 1651 . 2 2 2 B 51 51 VAL CB C 832 32.278 31.895 0.383 1
1 1654 . 2 2 2 B 51 51 VAL N N 832 120.021 116.056 3.965 1
1 1655 . 2 2 2 B 52 52 TYR H H 833 8.148 8.198 -0.050 1
1 1656 . 2 2 2 B 52 52 TYR HA H 833 4.598 4.682 -0.084 1
1 1663 . 2 2 2 B 52 52 TYR CA C 833 57.743 58.783 -1.040 1
1 1664 . 2 2 2 B 52 52 TYR CB C 833 38.702 40.267 -1.565 1
1 1667 . 2 2 2 B 52 52 TYR N N 833 122.854 119.980 2.874 1
1 1668 . 2 2 2 B 53 53 VAL H H 834 7.868 7.273 0.595 1
1 1669 . 2 2 2 B 53 53 VAL HA H 834 4.114 4.157 -0.043 1
1 1677 . 2 2 2 B 53 53 VAL CA C 834 61.508 61.817 -0.309 1
1 1678 . 2 2 2 B 53 53 VAL CB C 834 33.010 30.784 2.226 1
1 1681 . 2 2 2 B 53 53 VAL N N 834 121.721 115.320 6.401 1
1 1682 . 2 2 2 B 54 54 SER H H 835 8.237 8.205 0.032 1
1 1683 . 2 2 2 B 54 54 SER HA H 835 4.422 4.149 0.273 1
1 1686 . 2 2 2 B 54 54 SER CA C 835 57.823 59.591 -1.768 1
1 1687 . 2 2 2 B 54 54 SER CB C 835 63.437 61.132 2.305 1
1 1688 . 2 2 2 B 54 54 SER N N 835 119.077 116.765 2.312 1
1 1689 . 2 2 2 B 55 55 ARG H H 836 8.284 7.675 0.609 1
1 1690 . 2 2 2 B 55 55 ARG HA H 836 4.701 4.759 -0.058 1
1 1697 . 2 2 2 B 55 55 ARG CA C 836 53.601 52.929 0.672 1
1 1698 . 2 2 2 B 55 55 ARG CB C 836 30.394 32.807 -2.413 1
1 1701 . 2 2 2 B 55 55 ARG N N 836 123.798 120.787 3.011 1
1 1702 . 2 2 2 B 56 56 PRO HA H 837 4.485 4.418 0.067 1
1 1709 . 2 2 2 B 56 56 PRO CA C 837 63.351 63.830 -0.479 1
1 1710 . 2 2 2 B 56 56 PRO CB C 837 31.795 32.386 -0.591 1
1 7 . 3 1 1 A 2 2 THR HA H 341 4.462 4.225 0.237 1
1 12 . 3 1 1 A 2 2 THR CA C 341 61.936 63.531 -1.595 1
1 13 . 3 1 1 A 2 2 THR CB C 341 69.770 69.517 0.253 1
1 15 . 3 1 1 A 3 3 GLY HA2 H 342 4.141 4.070 0.071 1
1 16 . 3 1 1 A 3 3 GLY HA3 H 342 4.238 4.070 0.168 1
1 17 . 3 1 1 A 3 3 GLY CA C 342 44.424 44.908 -0.484 1
1 18 . 3 1 1 A 4 4 PRO HA H 343 4.567 4.338 0.229 1
1 25 . 3 1 1 A 4 4 PRO CA C 343 63.088 64.735 -1.647 1
1 26 . 3 1 1 A 4 4 PRO CB C 343 32.443 32.011 0.432 1
1 29 . 3 1 1 A 5 5 THR H H 344 8.284 8.041 0.243 1
1 30 . 3 1 1 A 5 5 THR HA H 344 4.342 4.202 0.140 1
1 35 . 3 1 1 A 5 5 THR CA C 344 61.936 63.712 -1.776 1
1 36 . 3 1 1 A 5 5 THR CB C 344 69.539 68.380 1.159 1
1 38 . 3 1 1 A 5 5 THR N N 344 113.968 110.498 3.470 1
1 39 . 3 1 1 A 6 6 ALA H H 345 8.269 7.575 0.694 1
1 40 . 3 1 1 A 6 6 ALA HA H 345 4.434 4.035 0.399 1
1 44 . 3 1 1 A 6 6 ALA CA C 345 52.028 54.559 -2.531 1
1 45 . 3 1 1 A 6 6 ALA CB C 345 19.771 18.723 1.048 1
1 46 . 3 1 1 A 6 6 ALA N N 345 126.619 125.195 1.424 1
1 47 . 3 1 1 A 7 7 ASP H H 346 8.454 7.997 0.457 1
1 48 . 3 1 1 A 7 7 ASP HA H 346 4.917 4.342 0.575 1
1 51 . 3 1 1 A 7 7 ASP CA C 346 52.719 54.768 -2.049 1
1 52 . 3 1 1 A 7 7 ASP CB C 346 41.659 39.278 2.381 1
1 53 . 3 1 1 A 7 7 ASP N N 346 120.766 117.263 3.503 1
1 54 . 3 1 1 A 8 8 PRO HA H 347 4.398 4.364 0.034 1
1 61 . 3 1 1 A 8 8 PRO CA C 347 64.931 65.572 -0.641 1
1 62 . 3 1 1 A 8 8 PRO CB C 347 32.388 31.828 0.560 1
1 65 . 3 1 1 A 9 9 GLU H H 348 8.113 8.109 0.004 1
1 66 . 3 1 1 A 9 9 GLU HA H 348 4.154 4.089 0.065 1
1 71 . 3 1 1 A 9 9 GLU CB C 348 30.138 29.474 0.664 1
1 73 . 3 1 1 A 9 9 GLU N N 348 116.423 118.093 -1.670 1
1 74 . 3 1 1 A 10 10 LYS H H 349 7.699 8.076 -0.377 1
1 75 . 3 1 1 A 10 10 LYS HA H 349 3.982 3.977 0.005 1
1 84 . 3 1 1 A 10 10 LYS CA C 349 60.092 59.570 0.522 1
1 85 . 3 1 1 A 10 10 LYS CB C 349 32.558 32.483 0.075 1
1 89 . 3 1 1 A 10 10 LYS N N 349 119.255 119.934 -0.679 1
1 90 . 3 1 1 A 11 11 ARG H H 350 7.845 8.154 -0.309 1
1 91 . 3 1 1 A 11 11 ARG HA H 350 3.656 3.948 -0.292 1
1 98 . 3 1 1 A 11 11 ARG CA C 350 60.092 59.294 0.798 1
1 99 . 3 1 1 A 11 11 ARG CB C 350 28.295 29.904 -1.609 1
1 102 . 3 1 1 A 11 11 ARG N N 350 117.178 119.332 -2.154 1
1 103 . 3 1 1 A 12 12 LYS H H 351 7.888 7.638 0.250 1
1 104 . 3 1 1 A 12 12 LYS HA H 351 4.198 4.202 -0.004 1
1 109 . 3 1 1 A 12 12 LYS CA C 351 59.631 59.279 0.352 1
1 110 . 3 1 1 A 12 12 LYS CB C 351 32.673 32.136 0.537 1
1 112 . 3 1 1 A 12 12 LYS N N 351 117.745 119.536 -1.791 1
1 113 . 3 1 1 A 13 13 LEU H H 352 7.696 7.803 -0.107 1
1 114 . 3 1 1 A 13 13 LEU HA H 352 4.259 4.033 0.226 1
1 124 . 3 1 1 A 13 13 LEU CA C 352 58.019 57.996 0.023 1
1 125 . 3 1 1 A 13 13 LEU CB C 352 42.120 41.894 0.226 1
1 129 . 3 1 1 A 13 13 LEU N N 352 119.444 119.027 0.417 1
1 130 . 3 1 1 A 14 14 ILE H H 353 7.831 7.619 0.212 1
1 131 . 3 1 1 A 14 14 ILE HA H 353 3.648 3.793 -0.145 1
1 141 . 3 1 1 A 14 14 ILE CA C 353 65.392 64.310 1.082 1
1 142 . 3 1 1 A 14 14 ILE CB C 353 38.203 37.649 0.554 1
1 146 . 3 1 1 A 14 14 ILE N N 353 118.311 115.284 3.027 1
1 147 . 3 1 1 A 15 15 GLN H H 354 8.178 7.880 0.298 1
1 148 . 3 1 1 A 15 15 GLN HA H 354 3.791 3.900 -0.109 1
1 155 . 3 1 1 A 15 15 GLN CA C 354 59.631 59.026 0.605 1
1 156 . 3 1 1 A 15 15 GLN CB C 354 30.369 28.174 2.195 1
1 158 . 3 1 1 A 15 15 GLN N N 354 116.423 121.080 -4.657 1
1 160 . 3 1 1 A 16 16 GLN H H 355 8.192 8.076 0.116 1
1 161 . 3 1 1 A 16 16 GLN HA H 355 3.799 4.048 -0.249 1
1 168 . 3 1 1 A 16 16 GLN CA C 355 59.171 59.160 0.011 1
1 169 . 3 1 1 A 16 16 GLN CB C 355 28.986 28.448 0.538 1
1 171 . 3 1 1 A 16 16 GLN N N 355 117.178 118.754 -1.576 1
1 173 . 3 1 1 A 17 17 GLN H H 356 7.970 7.802 0.168 1
1 174 . 3 1 1 A 17 17 GLN HA H 356 3.136 4.020 -0.884 1
1 181 . 3 1 1 A 17 17 GLN CA C 356 60.323 58.618 1.705 1
1 182 . 3 1 1 A 17 17 GLN CB C 356 27.143 28.158 -1.015 1
1 184 . 3 1 1 A 17 17 GLN N N 356 118.311 119.615 -1.304 1
1 186 . 3 1 1 A 18 18 LEU H H 357 8.408 8.087 0.321 1
1 187 . 3 1 1 A 18 18 LEU HA H 357 3.863 4.028 -0.165 1
1 197 . 3 1 1 A 18 18 LEU CA C 357 58.710 58.378 0.332 1
1 198 . 3 1 1 A 18 18 LEU CB C 357 40.968 41.687 -0.719 1
1 202 . 3 1 1 A 18 18 LEU N N 357 117.934 121.256 -3.322 1
1 203 . 3 1 1 A 19 19 VAL H H 358 8.544 8.196 0.348 1
1 204 . 3 1 1 A 19 19 VAL HA H 358 3.479 3.427 0.052 1
1 212 . 3 1 1 A 19 19 VAL CA C 358 66.544 66.824 -0.280 1
1 213 . 3 1 1 A 19 19 VAL CB C 358 31.060 31.474 -0.414 1
1 216 . 3 1 1 A 19 19 VAL N N 358 116.423 119.062 -2.639 1
1 217 . 3 1 1 A 20 20 LEU H H 359 7.820 8.032 -0.212 1
1 218 . 3 1 1 A 20 20 LEU HA H 359 3.952 3.949 0.003 1
1 228 . 3 1 1 A 20 20 LEU CA C 359 58.019 58.016 0.003 1
1 229 . 3 1 1 A 20 20 LEU CB C 359 42.696 41.311 1.385 1
1 233 . 3 1 1 A 20 20 LEU N N 359 120.955 120.287 0.668 1
1 234 . 3 1 1 A 21 21 LEU H H 360 8.278 8.008 0.270 1
1 235 . 3 1 1 A 21 21 LEU HA H 360 3.868 4.077 -0.209 1
1 245 . 3 1 1 A 21 21 LEU CA C 360 58.710 57.959 0.751 1
1 246 . 3 1 1 A 21 21 LEU CB C 360 42.811 41.540 1.271 1
1 250 . 3 1 1 A 21 21 LEU N N 360 121.144 119.600 1.544 1
1 251 . 3 1 1 A 22 22 LEU H H 361 8.331 8.340 -0.009 1
1 252 . 3 1 1 A 22 22 LEU HA H 361 3.919 4.040 -0.121 1
1 262 . 3 1 1 A 22 22 LEU CA C 361 57.788 57.944 -0.156 1
1 263 . 3 1 1 A 22 22 LEU CB C 361 41.083 41.668 -0.585 1
1 267 . 3 1 1 A 22 22 LEU N N 361 118.500 117.864 0.636 1
1 268 . 3 1 1 A 23 23 HIS H H 362 8.620 8.330 0.290 1
1 269 . 3 1 1 A 23 23 HIS HA H 362 4.114 4.257 -0.143 1
1 274 . 3 1 1 A 23 23 HIS CA C 362 60.323 59.672 0.651 1
1 275 . 3 1 1 A 23 23 HIS CB C 362 27.834 29.993 -2.159 1
1 278 . 3 1 1 A 23 23 HIS N N 362 117.934 117.764 0.170 1
1 279 . 3 1 1 A 24 24 ALA H H 363 9.049 8.349 0.700 1
1 280 . 3 1 1 A 24 24 ALA HA H 363 3.954 3.957 -0.003 1
1 284 . 3 1 1 A 24 24 ALA CA C 363 55.253 55.148 0.105 1
1 285 . 3 1 1 A 24 24 ALA CB C 363 19.079 17.866 1.213 1
1 286 . 3 1 1 A 24 24 ALA N N 363 121.710 120.593 1.117 1
1 287 . 3 1 1 A 25 25 HIS H H 364 7.955 8.614 -0.659 1
1 288 . 3 1 1 A 25 25 HIS HA H 364 4.130 4.014 0.116 1
1 293 . 3 1 1 A 25 25 HIS CA C 364 60.092 60.065 0.027 1
1 294 . 3 1 1 A 25 25 HIS CB C 364 31.060 29.803 1.257 1
1 297 . 3 1 1 A 25 25 HIS N N 364 115.856 118.476 -2.620 1
1 298 . 3 1 1 A 26 26 LYS H H 365 7.053 7.299 -0.246 1
1 299 . 3 1 1 A 26 26 LYS HA H 365 4.014 3.922 0.092 1
1 302 . 3 1 1 A 26 26 LYS CA C 365 57.788 58.481 -0.693 1
1 303 . 3 1 1 A 26 26 LYS CB C 365 32.903 32.213 0.690 1
1 304 . 3 1 1 A 26 26 LYS N N 365 117.178 118.288 -1.110 1
1 305 . 3 1 1 A 27 27 CYS H H 366 8.592 7.816 0.776 1
1 306 . 3 1 1 A 27 27 CYS HA H 366 3.741 3.981 -0.240 1
1 309 . 3 1 1 A 27 27 CYS CA C 366 62.396 62.519 -0.123 1
1 310 . 3 1 1 A 27 27 CYS CB C 366 29.678 26.798 2.880 1
1 311 . 3 1 1 A 27 27 CYS N N 366 123.976 119.076 4.900 1
1 312 . 3 1 1 A 28 28 GLN H H 367 8.349 8.622 -0.273 1
1 313 . 3 1 1 A 28 28 GLN HA H 367 4.283 4.058 0.225 1
1 320 . 3 1 1 A 28 28 GLN CA C 367 57.327 59.037 -1.710 1
1 321 . 3 1 1 A 28 28 GLN CB C 367 29.217 28.372 0.845 1
1 323 . 3 1 1 A 28 28 GLN N N 367 119.444 120.116 -0.672 1
1 325 . 3 1 1 A 29 29 ARG H H 368 7.635 7.698 -0.063 1
1 326 . 3 1 1 A 29 29 ARG HA H 368 4.169 4.236 -0.067 1
1 333 . 3 1 1 A 29 29 ARG CA C 368 57.558 58.224 -0.666 1
1 334 . 3 1 1 A 29 29 ARG CB C 368 29.908 30.852 -0.944 1
1 337 . 3 1 1 A 29 29 ARG N N 368 119.444 119.496 -0.052 1
1 338 . 3 1 1 A 30 30 ARG H H 369 8.018 8.264 -0.246 1
1 339 . 3 1 1 A 30 30 ARG HA H 369 4.260 4.025 0.235 1
1 346 . 3 1 1 A 30 30 ARG CA C 369 57.558 59.007 -1.449 1
1 347 . 3 1 1 A 30 30 ARG CB C 369 30.599 29.979 0.620 1
1 350 . 3 1 1 A 30 30 ARG N N 369 120.388 118.622 1.766 1
1 351 . 3 1 1 A 31 31 GLU H H 370 8.208 8.175 0.033 1
1 352 . 3 1 1 A 31 31 GLU HA H 370 4.236 4.141 0.095 1
1 357 . 3 1 1 A 31 31 GLU CA C 370 57.788 58.958 -1.170 1
1 358 . 3 1 1 A 31 31 GLU CB C 370 30.369 29.398 0.971 1
1 360 . 3 1 1 A 31 31 GLU N N 370 120.388 118.899 1.489 1
1 361 . 3 1 1 A 32 32 GLN H H 371 8.165 8.091 0.074 1
1 362 . 3 1 1 A 32 32 GLN HA H 371 4.313 4.107 0.206 1
1 367 . 3 1 1 A 32 32 GLN CA C 371 56.636 58.433 -1.797 1
1 368 . 3 1 1 A 32 32 GLN CB C 371 29.217 28.649 0.568 1
1 370 . 3 1 1 A 32 32 GLN N N 371 118.878 119.666 -0.788 1
1 371 . 3 1 1 A 33 33 ALA H H 372 8.095 7.547 0.548 1
1 372 . 3 1 1 A 33 33 ALA HA H 372 4.327 4.257 0.070 1
1 376 . 3 1 1 A 33 33 ALA CA C 372 53.180 53.072 0.108 1
1 377 . 3 1 1 A 33 33 ALA CB C 372 19.079 19.393 -0.314 1
1 378 . 3 1 1 A 33 33 ALA N N 372 123.032 120.266 2.766 1
1 379 . 3 1 1 A 34 34 ASN H H 373 8.186 7.589 0.597 1
1 380 . 3 1 1 A 34 34 ASN HA H 373 4.735 4.924 -0.189 1
1 383 . 3 1 1 A 34 34 ASN CA C 373 53.410 51.796 1.614 1
1 384 . 3 1 1 A 34 34 ASN CB C 373 38.894 39.377 -0.483 1
1 385 . 3 1 1 A 34 34 ASN N N 373 115.479 116.357 -0.878 1
1 386 . 3 1 1 A 35 35 GLY H H 374 8.266 8.681 -0.415 1
1 387 . 3 1 1 A 35 35 GLY HA2 H 374 3.943 3.867 0.076 1
1 388 . 3 1 1 A 35 35 GLY HA3 H 374 4.044 3.868 0.176 1
1 389 . 3 1 1 A 35 35 GLY CA C 374 45.576 47.085 -1.509 1
1 390 . 3 1 1 A 35 35 GLY N N 374 108.492 110.289 -1.797 1
1 391 . 3 1 1 A 36 36 GLU H H 375 8.132 8.234 -0.102 1
1 392 . 3 1 1 A 36 36 GLU HA H 375 4.368 4.226 0.142 1
1 397 . 3 1 1 A 36 36 GLU CA C 375 55.945 56.737 -0.792 1
1 398 . 3 1 1 A 36 36 GLU CB C 375 30.369 28.585 1.784 1
1 400 . 3 1 1 A 36 36 GLU N N 375 119.822 117.032 2.790 1
1 401 . 3 1 1 A 37 37 VAL H H 376 8.132 7.341 0.791 1
1 402 . 3 1 1 A 37 37 VAL HA H 376 4.139 4.567 -0.428 1
1 410 . 3 1 1 A 37 37 VAL CA C 376 62.166 59.822 2.344 1
1 411 . 3 1 1 A 37 37 VAL CB C 376 32.673 35.465 -2.792 1
1 414 . 3 1 1 A 37 37 VAL N N 376 121.144 118.861 2.283 1
1 415 . 3 1 1 A 38 38 ARG H H 377 8.455 8.551 -0.096 1
1 416 . 3 1 1 A 38 38 ARG HA H 377 4.392 4.592 -0.200 1
1 423 . 3 1 1 A 38 38 ARG CA C 377 55.253 55.543 -0.290 1
1 424 . 3 1 1 A 38 38 ARG CB C 377 31.060 31.770 -0.710 1
1 427 . 3 1 1 A 38 38 ARG N N 377 125.109 127.253 -2.144 1
1 428 . 3 1 1 A 39 39 ALA H H 378 8.384 7.636 0.748 1
1 429 . 3 1 1 A 39 39 ALA HA H 378 4.287 4.725 -0.438 1
1 433 . 3 1 1 A 39 39 ALA CA C 378 52.028 51.603 0.425 1
1 434 . 3 1 1 A 39 39 ALA CB C 378 19.540 22.673 -3.133 1
1 435 . 3 1 1 A 39 39 ALA N N 378 126.053 119.618 6.435 1
1 436 . 3 1 1 A 40 40 CYS H H 379 8.480 8.409 0.071 1
1 437 . 3 1 1 A 40 40 CYS HA H 379 4.344 4.776 -0.432 1
1 440 . 3 1 1 A 40 40 CYS CA C 379 60.092 57.245 2.847 1
1 441 . 3 1 1 A 40 40 CYS CB C 379 30.138 30.425 -0.287 1
1 442 . 3 1 1 A 40 40 CYS N N 379 123.787 117.139 6.648 1
1 443 . 3 1 1 A 41 41 SER HA H 380 4.588 4.267 0.321 1
1 446 . 3 1 1 A 41 41 SER CA C 380 57.788 61.057 -3.269 1
1 447 . 3 1 1 A 41 41 SER CB C 380 63.779 63.136 0.643 1
1 448 . 3 1 1 A 42 42 LEU H H 381 8.642 7.393 1.249 1
1 449 . 3 1 1 A 42 42 LEU HA H 381 4.488 4.298 0.190 1
1 459 . 3 1 1 A 42 42 LEU CA C 381 53.871 53.523 0.348 1
1 460 . 3 1 1 A 42 42 LEU CB C 381 41.659 42.382 -0.723 1
1 464 . 3 1 1 A 42 42 LEU N N 381 129.074 121.868 7.206 1
1 465 . 3 1 1 A 43 43 PRO HA H 382 4.095 4.181 -0.086 1
1 472 . 3 1 1 A 43 43 PRO CA C 382 64.470 64.729 -0.259 1
1 473 . 3 1 1 A 43 43 PRO CB C 382 31.751 31.706 0.045 1
1 476 . 3 1 1 A 44 44 HIS H H 383 8.014 8.076 -0.062 1
1 477 . 3 1 1 A 44 44 HIS HA H 383 4.527 4.951 -0.424 1
1 482 . 3 1 1 A 44 44 HIS CA C 383 58.249 55.111 3.138 1
1 483 . 3 1 1 A 44 44 HIS CB C 383 30.369 30.156 0.213 1
1 486 . 3 1 1 A 44 44 HIS N N 383 110.569 113.464 -2.895 1
1 487 . 3 1 1 A 45 45 CYS H H 384 7.729 7.647 0.082 1
1 488 . 3 1 1 A 45 45 CYS HA H 384 4.023 3.935 0.088 1
1 491 . 3 1 1 A 45 45 CYS CA C 384 64.470 62.618 1.852 1
1 492 . 3 1 1 A 45 45 CYS CB C 384 28.756 26.475 2.281 1
1 493 . 3 1 1 A 45 45 CYS N N 384 124.165 120.779 3.386 1
1 494 . 3 1 1 A 46 46 ARG H H 385 8.239 8.096 0.143 1
1 495 . 3 1 1 A 46 46 ARG HA H 385 3.978 4.097 -0.119 1
1 502 . 3 1 1 A 46 46 ARG CA C 385 59.401 58.898 0.503 1
1 503 . 3 1 1 A 46 46 ARG CB C 385 28.986 29.722 -0.736 1
1 506 . 3 1 1 A 46 46 ARG N N 385 116.612 120.391 -3.779 1
1 507 . 3 1 1 A 47 47 THR H H 386 7.496 8.100 -0.604 1
1 508 . 3 1 1 A 47 47 THR HA H 386 4.008 3.923 0.085 1
1 513 . 3 1 1 A 47 47 THR CA C 386 65.853 67.034 -1.181 1
1 514 . 3 1 1 A 47 47 THR CB C 386 68.387 68.411 -0.024 1
1 516 . 3 1 1 A 47 47 THR N N 386 114.346 116.578 -2.232 1
1 517 . 3 1 1 A 48 48 MET H H 387 8.216 8.098 0.118 1
1 518 . 3 1 1 A 48 48 MET HA H 387 4.622 4.045 0.577 1
1 526 . 3 1 1 A 48 48 MET CA C 387 56.636 59.208 -2.572 1
1 527 . 3 1 1 A 48 48 MET CB C 387 31.291 33.145 -1.854 1
1 530 . 3 1 1 A 48 48 MET N N 387 119.444 118.353 1.091 1
1 531 . 3 1 1 A 49 49 LYS H H 388 9.306 8.184 1.122 1
1 532 . 3 1 1 A 49 49 LYS HA H 388 3.923 3.905 0.018 1
1 541 . 3 1 1 A 49 49 LYS CA C 388 61.244 60.361 0.883 1
1 542 . 3 1 1 A 49 49 LYS CB C 388 32.903 32.402 0.501 1
1 546 . 3 1 1 A 49 49 LYS N N 388 122.276 117.891 4.385 1
1 547 . 3 1 1 A 50 50 ASN H H 389 8.069 8.173 -0.104 1
1 548 . 3 1 1 A 50 50 ASN HA H 389 4.629 4.612 0.017 1
1 553 . 3 1 1 A 50 50 ASN CA C 389 56.175 56.223 -0.048 1
1 554 . 3 1 1 A 50 50 ASN CB C 389 37.512 38.237 -0.725 1
1 555 . 3 1 1 A 50 50 ASN N N 389 117.178 118.163 -0.985 1
1 557 . 3 1 1 A 51 51 VAL H H 390 8.116 7.807 0.309 1
1 558 . 3 1 1 A 51 51 VAL HA H 390 3.803 3.622 0.181 1
1 566 . 3 1 1 A 51 51 VAL CA C 390 67.235 66.713 0.522 1
1 567 . 3 1 1 A 51 51 VAL CB C 390 31.751 31.376 0.375 1
1 570 . 3 1 1 A 51 51 VAL N N 390 123.598 120.319 3.279 1
1 571 . 3 1 1 A 52 52 LEU H H 391 8.735 8.512 0.223 1
1 572 . 3 1 1 A 52 52 LEU HA H 391 4.123 3.972 0.151 1
1 582 . 3 1 1 A 52 52 LEU CA C 391 58.479 58.271 0.208 1
1 583 . 3 1 1 A 52 52 LEU CB C 391 41.659 41.411 0.248 1
1 587 . 3 1 1 A 52 52 LEU N N 391 120.955 119.365 1.590 1
1 588 . 3 1 1 A 53 53 ASN H H 392 8.231 8.505 -0.274 1
1 589 . 3 1 1 A 53 53 ASN HA H 392 4.561 4.358 0.203 1
1 594 . 3 1 1 A 53 53 ASN CA C 392 56.175 56.493 -0.318 1
1 595 . 3 1 1 A 53 53 ASN CB C 392 38.433 39.303 -0.870 1
1 596 . 3 1 1 A 53 53 ASN N N 392 116.801 117.392 -0.591 1
1 598 . 3 1 1 A 54 54 HIS H H 393 8.049 8.302 -0.253 1
1 599 . 3 1 1 A 54 54 HIS HA H 393 4.418 4.316 0.102 1
1 604 . 3 1 1 A 54 54 HIS CA C 393 59.401 60.206 -0.805 1
1 605 . 3 1 1 A 54 54 HIS CB C 393 27.604 30.232 -2.628 1
1 608 . 3 1 1 A 54 54 HIS N N 393 120.011 119.590 0.421 1
1 609 . 3 1 1 A 55 55 MET H H 394 9.118 8.580 0.538 1
1 610 . 3 1 1 A 55 55 MET HA H 394 3.704 3.972 -0.268 1
1 618 . 3 1 1 A 55 55 MET CA C 394 59.401 58.500 0.901 1
1 619 . 3 1 1 A 55 55 MET CB C 394 34.286 32.438 1.848 1
1 622 . 3 1 1 A 55 55 MET N N 394 119.066 116.797 2.269 1
1 623 . 3 1 1 A 56 56 THR H H 395 7.521 7.915 -0.394 1
1 624 . 3 1 1 A 56 56 THR HA H 395 3.915 4.021 -0.106 1
1 629 . 3 1 1 A 56 56 THR CA C 395 65.392 64.901 0.491 1
1 630 . 3 1 1 A 56 56 THR CB C 395 69.309 68.247 1.062 1
1 632 . 3 1 1 A 56 56 THR N N 395 110.758 114.859 -4.101 1
1 633 . 3 1 1 A 57 57 HIS H H 396 7.023 7.893 -0.870 1
1 634 . 3 1 1 A 57 57 HIS HA H 396 4.846 4.774 0.072 1
1 639 . 3 1 1 A 57 57 HIS CA C 396 55.023 55.906 -0.883 1
1 640 . 3 1 1 A 57 57 HIS CB C 396 30.830 31.551 -0.721 1
1 643 . 3 1 1 A 57 57 HIS N N 396 115.668 115.067 0.601 1
1 644 . 3 1 1 A 58 58 CYS H H 397 7.134 7.522 -0.388 1
1 645 . 3 1 1 A 58 58 CYS HA H 397 4.048 4.051 -0.003 1
1 648 . 3 1 1 A 58 58 CYS CA C 397 60.784 59.679 1.105 1
1 649 . 3 1 1 A 58 58 CYS CB C 397 29.678 28.357 1.321 1
1 650 . 3 1 1 A 58 58 CYS N N 397 123.598 119.289 4.309 1
1 651 . 3 1 1 A 59 59 GLN HA H 398 4.710 4.533 0.177 1
1 656 . 3 1 1 A 59 59 GLN CA C 398 55.023 56.064 -1.041 1
1 657 . 3 1 1 A 59 59 GLN CB C 398 29.678 29.553 0.125 1
1 659 . 3 1 1 A 60 60 ALA H H 399 8.689 7.750 0.939 1
1 660 . 3 1 1 A 60 60 ALA HA H 399 4.414 4.229 0.185 1
1 664 . 3 1 1 A 60 60 ALA CA C 399 52.949 52.482 0.467 1
1 665 . 3 1 1 A 60 60 ALA CB C 399 20.001 19.700 0.301 1
1 666 . 3 1 1 A 60 60 ALA N N 399 124.731 121.742 2.989 1
1 667 . 3 1 1 A 61 61 GLY H H 400 8.166 8.288 -0.122 1
1 668 . 3 1 1 A 61 61 GLY HA2 H 400 3.621 3.833 -0.212 1
1 669 . 3 1 1 A 61 61 GLY HA3 H 400 3.976 3.846 0.130 1
1 670 . 3 1 1 A 61 61 GLY CA C 400 46.267 47.147 -0.880 1
1 671 . 3 1 1 A 61 61 GLY N N 400 107.926 107.229 0.697 1
1 672 . 3 1 1 A 62 62 LYS HA H 401 4.138 4.237 -0.099 1
1 673 . 3 1 1 A 62 62 LYS CA C 401 58.479 58.526 -0.047 1
1 674 . 3 1 1 A 63 63 ALA H H 402 7.671 7.895 -0.224 1
1 675 . 3 1 1 A 63 63 ALA HA H 402 4.448 4.529 -0.081 1
1 679 . 3 1 1 A 63 63 ALA CA C 402 51.336 51.381 -0.045 1
1 680 . 3 1 1 A 63 63 ALA CB C 402 19.079 20.497 -1.418 1
1 681 . 3 1 1 A 63 63 ALA N N 402 119.444 120.688 -1.244 1
1 682 . 3 1 1 A 64 64 CYS H H 403 7.497 7.630 -0.133 1
1 683 . 3 1 1 A 64 64 CYS HA H 403 3.857 4.361 -0.504 1
1 686 . 3 1 1 A 64 64 CYS CA C 403 62.396 59.709 2.687 1
1 687 . 3 1 1 A 64 64 CYS CB C 403 29.908 28.536 1.372 1
1 688 . 3 1 1 A 64 64 CYS N N 403 121.899 118.526 3.373 1
1 689 . 3 1 1 A 65 65 GLN H H 404 9.025 8.708 0.317 1
1 690 . 3 1 1 A 65 65 GLN HA H 404 4.463 4.174 0.289 1
1 697 . 3 1 1 A 65 65 GLN CA C 404 55.673 57.463 -1.790 1
1 698 . 3 1 1 A 65 65 GLN CB C 404 29.332 29.212 0.120 1
1 700 . 3 1 1 A 65 65 GLN N N 404 128.885 124.880 4.005 1
1 702 . 3 1 1 A 66 66 VAL H H 405 9.337 7.284 2.053 1
1 703 . 3 1 1 A 66 66 VAL HA H 405 3.631 4.140 -0.509 1
1 711 . 3 1 1 A 66 66 VAL CA C 405 64.240 62.747 1.493 1
1 712 . 3 1 1 A 66 66 VAL CB C 405 30.830 30.798 0.032 1
1 715 . 3 1 1 A 66 66 VAL N N 405 127.752 119.411 8.341 1
1 716 . 3 1 1 A 67 67 ALA H H 406 8.581 8.647 -0.066 1
1 717 . 3 1 1 A 67 67 ALA HA H 406 3.761 3.853 -0.092 1
1 721 . 3 1 1 A 67 67 ALA CA C 406 54.101 55.173 -1.072 1
1 722 . 3 1 1 A 67 67 ALA CB C 406 17.467 18.253 -0.786 1
1 723 . 3 1 1 A 67 67 ALA N N 406 133.983 130.502 3.481 1
1 724 . 3 1 1 A 68 68 HIS H H 407 8.099 7.637 0.462 1
1 725 . 3 1 1 A 68 68 HIS HA H 407 4.407 4.462 -0.055 1
1 730 . 3 1 1 A 68 68 HIS CA C 407 57.327 58.556 -1.229 1
1 731 . 3 1 1 A 68 68 HIS CB C 407 29.447 29.502 -0.055 1
1 734 . 3 1 1 A 68 68 HIS N N 407 110.569 114.395 -3.826 1
1 735 . 3 1 1 A 69 69 CYS H H 408 8.086 7.678 0.408 1
1 736 . 3 1 1 A 69 69 CYS HA H 408 4.163 4.074 0.089 1
1 739 . 3 1 1 A 69 69 CYS CA C 408 64.240 62.218 2.022 1
1 740 . 3 1 1 A 69 69 CYS CB C 408 29.908 27.190 2.718 1
1 741 . 3 1 1 A 69 69 CYS N N 408 126.619 118.904 7.715 1
1 742 . 3 1 1 A 70 70 ALA H H 409 8.728 8.073 0.655 1
1 743 . 3 1 1 A 70 70 ALA HA H 409 4.333 4.042 0.291 1
1 747 . 3 1 1 A 70 70 ALA CA C 409 55.253 55.458 -0.205 1
1 748 . 3 1 1 A 70 70 ALA CB C 409 17.697 18.197 -0.500 1
1 749 . 3 1 1 A 70 70 ALA N N 409 118.689 123.091 -4.402 1
1 750 . 3 1 1 A 71 71 SER H H 410 9.179 8.216 0.963 1
1 751 . 3 1 1 A 71 71 SER HA H 410 4.138 4.213 -0.075 1
1 754 . 3 1 1 A 71 71 SER CA C 410 60.323 61.694 -1.371 1
1 755 . 3 1 1 A 71 71 SER CB C 410 61.244 62.637 -1.393 1
1 756 . 3 1 1 A 71 71 SER N N 410 114.535 113.197 1.338 1
1 757 . 3 1 1 A 72 72 SER H H 411 7.937 8.048 -0.111 1
1 758 . 3 1 1 A 72 72 SER HA H 411 4.048 4.128 -0.080 1
1 762 . 3 1 1 A 72 72 SER CA C 411 64.240 61.801 2.439 1
1 763 . 3 1 1 A 72 72 SER CB C 411 62.396 62.872 -0.476 1
1 764 . 3 1 1 A 72 72 SER N N 411 120.766 116.856 3.910 1
1 765 . 3 1 1 A 73 73 ARG H H 412 8.835 8.164 0.671 1
1 766 . 3 1 1 A 73 73 ARG HA H 412 3.855 4.104 -0.249 1
1 773 . 3 1 1 A 73 73 ARG CA C 412 60.323 59.545 0.778 1
1 774 . 3 1 1 A 73 73 ARG CB C 412 30.369 29.992 0.377 1
1 777 . 3 1 1 A 73 73 ARG N N 412 122.276 121.363 0.913 1
1 778 . 3 1 1 A 74 74 GLN H H 413 7.873 7.627 0.246 1
1 779 . 3 1 1 A 74 74 GLN HA H 413 4.182 4.237 -0.055 1
1 786 . 3 1 1 A 74 74 GLN CA C 413 58.710 58.087 0.623 1
1 787 . 3 1 1 A 74 74 GLN CB C 413 29.447 28.913 0.534 1
1 789 . 3 1 1 A 74 74 GLN N N 413 118.689 118.764 -0.075 1
1 791 . 3 1 1 A 75 75 ILE H H 414 8.754 8.524 0.230 1
1 792 . 3 1 1 A 75 75 ILE HA H 414 3.617 3.993 -0.376 1
1 802 . 3 1 1 A 75 75 ILE CA C 414 66.544 64.516 2.028 1
1 803 . 3 1 1 A 75 75 ILE CB C 414 38.664 37.499 1.165 1
1 807 . 3 1 1 A 75 75 ILE N N 414 121.710 120.126 1.584 1
1 808 . 3 1 1 A 76 76 ILE H H 415 8.856 8.170 0.686 1
1 809 . 3 1 1 A 76 76 ILE HA H 415 3.863 3.625 0.238 1
1 819 . 3 1 1 A 76 76 ILE CA C 415 64.701 65.240 -0.539 1
1 820 . 3 1 1 A 76 76 ILE CB C 415 37.051 37.571 -0.520 1
1 824 . 3 1 1 A 76 76 ILE N N 415 120.199 122.913 -2.714 1
1 825 . 3 1 1 A 77 77 SER H H 416 7.981 8.073 -0.092 1
1 826 . 3 1 1 A 77 77 SER HA H 416 4.153 4.214 -0.061 1
1 829 . 3 1 1 A 77 77 SER CA C 416 62.166 62.217 -0.051 1
1 830 . 3 1 1 A 77 77 SER CB C 416 62.627 62.977 -0.350 1
1 831 . 3 1 1 A 77 77 SER N N 416 114.346 116.245 -1.899 1
1 832 . 3 1 1 A 78 78 HIS H H 417 8.126 7.481 0.645 1
1 833 . 3 1 1 A 78 78 HIS HA H 417 4.154 4.445 -0.291 1
1 838 . 3 1 1 A 78 78 HIS CA C 417 60.553 59.587 0.966 1
1 839 . 3 1 1 A 78 78 HIS CB C 417 28.065 30.230 -2.165 1
1 842 . 3 1 1 A 78 78 HIS N N 417 118.878 121.548 -2.670 1
1 843 . 3 1 1 A 79 79 TRP H H 418 8.417 8.381 0.036 1
1 844 . 3 1 1 A 79 79 TRP HA H 418 4.451 4.260 0.191 1
1 853 . 3 1 1 A 79 79 TRP CA C 418 59.862 60.678 -0.816 1
1 854 . 3 1 1 A 79 79 TRP CB C 418 30.369 29.964 0.405 1
1 860 . 3 1 1 A 79 79 TRP N N 418 119.255 121.393 -2.138 1
1 862 . 3 1 1 A 80 80 LYS H H 419 8.412 8.270 0.142 1
1 863 . 3 1 1 A 80 80 LYS HA H 419 3.714 3.972 -0.258 1
1 872 . 3 1 1 A 80 80 LYS CA C 419 58.710 58.655 0.055 1
1 873 . 3 1 1 A 80 80 LYS CB C 419 32.673 32.265 0.408 1
1 877 . 3 1 1 A 80 80 LYS N N 419 115.101 117.845 -2.744 1
1 878 . 3 1 1 A 81 81 ASN H H 420 7.416 7.654 -0.238 1
1 879 . 3 1 1 A 81 81 ASN HA H 420 4.713 4.740 -0.027 1
1 884 . 3 1 1 A 81 81 ASN CA C 420 53.410 53.908 -0.498 1
1 885 . 3 1 1 A 81 81 ASN CB C 420 40.737 41.361 -0.624 1
1 886 . 3 1 1 A 81 81 ASN N N 420 113.968 114.407 -0.439 1
1 888 . 3 1 1 A 82 82 CYS H H 421 7.617 7.602 0.015 1
1 889 . 3 1 1 A 82 82 CYS HA H 421 3.986 4.267 -0.281 1
1 892 . 3 1 1 A 82 82 CYS CA C 421 61.244 60.109 1.135 1
1 893 . 3 1 1 A 82 82 CYS CB C 421 28.756 27.931 0.825 1
1 894 . 3 1 1 A 82 82 CYS N N 421 124.354 118.432 5.922 1
1 895 . 3 1 1 A 83 83 THR H H 422 8.535 8.572 -0.037 1
1 896 . 3 1 1 A 83 83 THR HA H 422 4.527 4.621 -0.094 1
1 901 . 3 1 1 A 83 83 THR CA C 422 60.553 61.245 -0.692 1
1 902 . 3 1 1 A 83 83 THR CB C 422 69.309 70.590 -1.281 1
1 904 . 3 1 1 A 83 83 THR N N 422 118.500 116.656 1.844 1
1 905 . 3 1 1 A 84 84 ARG HA H 423 4.448 4.127 0.321 1
1 912 . 3 1 1 A 84 84 ARG CA C 423 56.175 56.328 -0.153 1
1 913 . 3 1 1 A 84 84 ARG CB C 423 31.521 30.729 0.792 1
1 916 . 3 1 1 A 85 85 HIS HA H 424 4.391 4.513 -0.122 1
1 921 . 3 1 1 A 85 85 HIS CA C 424 58.479 57.690 0.789 1
1 922 . 3 1 1 A 85 85 HIS CB C 424 30.138 29.224 0.914 1
1 925 . 3 1 1 A 86 86 ASP H H 425 7.962 8.038 -0.076 1
1 926 . 3 1 1 A 86 86 ASP HA H 425 4.525 4.744 -0.219 1
1 929 . 3 1 1 A 86 86 ASP CA C 425 51.567 52.983 -1.416 1
1 930 . 3 1 1 A 86 86 ASP CB C 425 39.585 41.799 -2.214 1
1 931 . 3 1 1 A 86 86 ASP N N 425 116.612 116.294 0.318 1
1 932 . 3 1 1 A 87 87 CYS H H 426 6.974 7.074 -0.100 1
1 933 . 3 1 1 A 87 87 CYS HA H 426 4.247 4.451 -0.204 1
1 936 . 3 1 1 A 87 87 CYS CA C 426 57.558 57.811 -0.253 1
1 937 . 3 1 1 A 87 87 CYS CB C 426 31.291 28.694 2.597 1
1 938 . 3 1 1 A 87 87 CYS N N 426 122.276 120.460 1.816 1
1 939 . 3 1 1 A 88 88 PRO HA H 427 4.445 4.325 0.120 1
1 944 . 3 1 1 A 88 88 PRO CA C 427 64.009 65.028 -1.019 1
1 945 . 3 1 1 A 88 88 PRO CB C 427 32.558 31.826 0.732 1
1 947 . 3 1 1 A 89 89 VAL H H 428 8.460 7.742 0.718 1
1 948 . 3 1 1 A 89 89 VAL HA H 428 3.719 3.967 -0.248 1
1 956 . 3 1 1 A 89 89 VAL CA C 428 65.622 64.010 1.612 1
1 957 . 3 1 1 A 89 89 VAL CB C 428 33.134 32.297 0.837 1
1 960 . 3 1 1 A 89 89 VAL N N 428 119.822 115.368 4.454 1
1 961 . 3 1 1 A 90 90 CYS H H 429 8.729 8.129 0.600 1
1 962 . 3 1 1 A 90 90 CYS HA H 429 4.225 4.305 -0.080 1
1 965 . 3 1 1 A 90 90 CYS CA C 429 63.779 62.147 1.632 1
1 966 . 3 1 1 A 90 90 CYS CB C 429 31.291 26.439 4.852 1
1 967 . 3 1 1 A 90 90 CYS N N 429 118.878 117.944 0.934 1
1 968 . 3 1 1 A 91 91 LEU H H 430 7.907 8.199 -0.292 1
1 969 . 3 1 1 A 91 91 LEU HA H 430 4.214 4.106 0.108 1
1 979 . 3 1 1 A 91 91 LEU CA C 430 60.323 60.280 0.043 1
1 980 . 3 1 1 A 91 91 LEU CB C 430 39.125 40.168 -1.043 1
1 984 . 3 1 1 A 91 91 LEU N N 430 118.878 123.159 -4.281 1
1 985 . 3 1 1 A 92 92 PRO HA H 431 4.460 4.314 0.146 1
1 992 . 3 1 1 A 92 92 PRO CA C 431 65.161 66.321 -1.160 1
1 993 . 3 1 1 A 92 92 PRO CB C 431 31.291 30.747 0.544 1
1 996 . 3 1 1 A 93 93 LEU H H 432 7.459 7.297 0.162 1
1 997 . 3 1 1 A 93 93 LEU HA H 432 4.359 3.832 0.527 1
1 1007 . 3 1 1 A 93 93 LEU CA C 432 55.945 57.386 -1.441 1
1 1008 . 3 1 1 A 93 93 LEU CB C 432 42.350 40.935 1.415 1
1 1012 . 3 1 1 A 93 93 LEU N N 432 115.290 115.865 -0.575 1
1 1013 . 3 1 1 A 94 94 LYS H H 433 7.975 8.668 -0.693 1
1 1014 . 3 1 1 A 94 94 LYS HA H 433 4.390 4.193 0.197 1
1 1022 . 3 1 1 A 94 94 LYS CA C 433 57.558 60.482 -2.924 1
1 1023 . 3 1 1 A 94 94 LYS CB C 433 33.134 32.227 0.907 1
1 1027 . 3 1 1 A 94 94 LYS N N 433 119.255 118.349 0.906 1
1 1028 . 3 1 1 A 95 95 ASN H H 434 8.368 8.328 0.040 1
1 1029 . 3 1 1 A 95 95 ASN HA H 434 4.733 4.503 0.230 1
1 1034 . 3 1 1 A 95 95 ASN CA C 434 53.410 55.943 -2.533 1
1 1035 . 3 1 1 A 95 95 ASN CB C 434 38.894 38.104 0.790 1
1 1036 . 3 1 1 A 95 95 ASN N N 434 117.934 117.841 0.093 1
1 1038 . 3 1 1 A 96 96 ALA H H 435 8.040 8.474 -0.434 1
1 1039 . 3 1 1 A 96 96 ALA HA H 435 4.376 4.141 0.235 1
1 1043 . 3 1 1 A 96 96 ALA CA C 435 52.949 54.162 -1.213 1
1 1044 . 3 1 1 A 96 96 ALA CB C 435 19.310 18.540 0.770 1
1 1045 . 3 1 1 A 96 96 ALA N N 435 123.221 121.785 1.436 1
1 1046 . 3 1 1 A 97 97 SER H H 436 8.138 8.264 -0.126 1
1 1047 . 3 1 1 A 97 97 SER HA H 436 4.450 4.824 -0.374 1
1 1050 . 3 1 1 A 97 97 SER CA C 436 58.710 57.257 1.453 1
1 1051 . 3 1 1 A 97 97 SER CB C 436 63.779 63.952 -0.173 1
1 1052 . 3 1 1 A 97 97 SER N N 436 113.591 113.627 -0.036 1
1 1053 . 3 1 1 A 98 98 ASP H H 437 8.214 8.043 0.171 1
1 1054 . 3 1 1 A 98 98 ASP HA H 437 4.662 5.040 -0.378 1
1 1057 . 3 1 1 A 98 98 ASP CA C 437 54.332 54.001 0.331 1
1 1058 . 3 1 1 A 98 98 ASP CB C 437 41.198 42.806 -1.608 1
1 1059 . 3 1 1 A 98 98 ASP N N 437 121.521 121.756 -0.235 1
1 1060 . 3 1 1 A 99 99 LYS H H 438 8.062 7.770 0.292 1
1 1061 . 3 1 1 A 99 99 LYS HA H 438 4.363 3.937 0.426 1
1 1070 . 3 1 1 A 99 99 LYS CA C 438 55.945 59.512 -3.567 1
1 1071 . 3 1 1 A 99 99 LYS CB C 438 32.720 32.166 0.554 1
1 1075 . 3 1 1 A 99 99 LYS N N 438 121.144 119.191 1.953 1
1 1092 . 3 2 2 B 2 2 SER HA H 783 4.524 4.749 -0.225 1
1 1095 . 3 2 2 B 2 2 SER CA C 783 58.053 56.956 1.097 1
1 1096 . 3 2 2 B 2 2 SER CB C 783 64.502 65.831 -1.329 1
1 1097 . 3 2 2 B 3 3 HIS HA H 784 4.721 4.923 -0.202 1
1 1102 . 3 2 2 B 3 3 HIS CA C 784 55.750 55.442 0.308 1
1 1103 . 3 2 2 B 3 3 HIS CB C 784 30.167 30.401 -0.234 1
1 1106 . 3 2 2 B 4 4 MET HA H 785 4.495 4.800 -0.305 1
1 1114 . 3 2 2 B 4 4 MET CA C 785 55.058 54.552 0.506 1
1 1115 . 3 2 2 B 4 4 MET CB C 785 32.727 33.505 -0.778 1
1 1118 . 3 2 2 B 5 5 VAL H H 786 8.163 8.420 -0.257 1
1 1119 . 3 2 2 B 5 5 VAL HA H 786 4.464 4.254 0.210 1
1 1127 . 3 2 2 B 5 5 VAL CA C 786 59.478 61.055 -1.577 1
1 1128 . 3 2 2 B 5 5 VAL CB C 786 32.606 31.668 0.938 1
1 1131 . 3 2 2 B 5 5 VAL N N 786 122.854 122.265 0.589 1
1 1132 . 3 2 2 B 6 6 PRO HA H 787 4.437 4.668 -0.231 1
1 1137 . 3 2 2 B 6 6 PRO CA C 787 62.667 62.587 0.080 1
1 1138 . 3 2 2 B 6 6 PRO CB C 787 32.010 32.754 -0.744 1
1 1140 . 3 2 2 B 7 7 GLU H H 788 8.306 8.909 -0.603 1
1 1141 . 3 2 2 B 7 7 GLU HA H 788 4.654 4.649 0.005 1
1 1146 . 3 2 2 B 7 7 GLU CA C 788 53.568 54.007 -0.439 1
1 1147 . 3 2 2 B 7 7 GLU CB C 788 30.011 31.395 -1.384 1
1 1149 . 3 2 2 B 7 7 GLU N N 788 123.231 122.051 1.180 1
1 1150 . 3 2 2 B 8 8 PRO HA H 789 4.490 4.496 -0.006 1
1 1157 . 3 2 2 B 8 8 PRO CA C 789 62.253 62.724 -0.471 1
1 1158 . 3 2 2 B 8 8 PRO CB C 789 32.483 32.233 0.250 1
1 1161 . 3 2 2 B 9 9 ASP H H 790 8.272 8.438 -0.166 1
1 1162 . 3 2 2 B 9 9 ASP HA H 790 4.456 4.716 -0.260 1
1 1165 . 3 2 2 B 9 9 ASP CA C 790 54.137 53.761 0.376 1
1 1166 . 3 2 2 B 9 9 ASP CB C 790 41.016 40.299 0.717 1
1 1167 . 3 2 2 B 9 9 ASP N N 790 118.511 120.202 -1.691 1
1 1168 . 3 2 2 B 10 10 LEU H H 791 8.463 8.328 0.135 1
1 1169 . 3 2 2 B 10 10 LEU HA H 791 4.356 4.240 0.116 1
1 1179 . 3 2 2 B 10 10 LEU CA C 791 52.531 53.427 -0.896 1
1 1180 . 3 2 2 B 10 10 LEU CB C 791 42.609 42.919 -0.310 1
1 1184 . 3 2 2 B 10 10 LEU N N 791 121.343 126.931 -5.588 1
1 1185 . 3 2 2 B 11 11 PRO HA H 792 4.553 4.544 0.009 1
1 1192 . 3 2 2 B 11 11 PRO CA C 792 62.788 63.209 -0.421 1
1 1193 . 3 2 2 B 11 11 PRO CB C 792 32.716 32.368 0.348 1
1 1196 . 3 2 2 B 12 12 HIS HA H 793 3.989 4.164 -0.175 1
1 1201 . 3 2 2 B 12 12 HIS CA C 793 60.326 60.212 0.114 1
1 1202 . 3 2 2 B 12 12 HIS CB C 793 30.803 30.550 0.253 1
1 1205 . 3 2 2 B 13 13 ASP H H 794 8.938 8.944 -0.006 1
1 1206 . 3 2 2 B 13 13 ASP HA H 794 4.460 4.304 0.156 1
1 1209 . 3 2 2 B 13 13 ASP CA C 794 54.581 56.836 -2.255 1
1 1210 . 3 2 2 B 13 13 ASP CB C 794 38.061 39.587 -1.526 1
1 1211 . 3 2 2 B 13 13 ASP N N 794 114.734 118.696 -3.962 1
1 1212 . 3 2 2 B 14 14 LEU H H 795 7.674 7.651 0.023 1
1 1213 . 3 2 2 B 14 14 LEU HA H 795 4.546 4.246 0.300 1
1 1223 . 3 2 2 B 14 14 LEU CA C 795 53.478 55.994 -2.516 1
1 1224 . 3 2 2 B 14 14 LEU CB C 795 43.597 42.120 1.477 1
1 1228 . 3 2 2 B 14 14 LEU N N 795 116.056 119.685 -3.629 1
1 1229 . 3 2 2 B 15 15 ARG H H 796 7.225 8.280 -1.055 1
1 1230 . 3 2 2 B 15 15 ARG HA H 796 3.809 3.856 -0.047 1
1 1237 . 3 2 2 B 15 15 ARG CA C 796 58.744 59.669 -0.925 1
1 1238 . 3 2 2 B 15 15 ARG CB C 796 30.413 29.920 0.493 1
1 1241 . 3 2 2 B 15 15 ARG N N 796 116.434 119.473 -3.039 1
1 1242 . 3 2 2 B 16 16 HIS HA H 797 4.703 4.434 0.269 1
1 1247 . 3 2 2 B 16 16 HIS CA C 797 55.289 58.352 -3.063 1
1 1248 . 3 2 2 B 16 16 HIS CB C 797 29.538 30.094 -0.556 1
1 1251 . 3 2 2 B 17 17 LEU H H 798 6.982 7.283 -0.301 1
1 1252 . 3 2 2 B 17 17 LEU HA H 798 4.071 4.095 -0.024 1
1 1262 . 3 2 2 B 17 17 LEU CA C 798 54.807 55.425 -0.618 1
1 1263 . 3 2 2 B 17 17 LEU CB C 798 42.206 42.301 -0.095 1
1 1267 . 3 2 2 B 17 17 LEU N N 798 120.399 120.253 0.146 1
1 1268 . 3 2 2 B 18 18 ASN H H 799 8.789 8.630 0.159 1
1 1269 . 3 2 2 B 18 18 ASN HA H 799 4.857 4.889 -0.032 1
1 1274 . 3 2 2 B 18 18 ASN CA C 799 52.166 52.778 -0.612 1
1 1275 . 3 2 2 B 18 18 ASN CB C 799 37.842 38.475 -0.633 1
1 1276 . 3 2 2 B 18 18 ASN N N 799 121.343 123.059 -1.716 1
1 1278 . 3 2 2 B 19 19 THR H H 800 8.585 8.574 0.011 1
1 1279 . 3 2 2 B 19 19 THR HA H 800 4.522 4.417 0.105 1
1 1284 . 3 2 2 B 19 19 THR CA C 800 62.143 63.341 -1.198 1
1 1285 . 3 2 2 B 19 19 THR CB C 800 68.865 69.334 -0.469 1
1 1287 . 3 2 2 B 19 19 THR N N 800 115.301 117.779 -2.478 1
1 1288 . 3 2 2 B 20 20 GLU H H 801 8.415 8.750 -0.335 1
1 1289 . 3 2 2 B 20 20 GLU HA H 801 4.337 4.134 0.203 1
1 1294 . 3 2 2 B 20 20 GLU CA C 801 61.496 62.974 -1.478 1
1 1295 . 3 2 2 B 20 20 GLU CB C 801 26.493 27.583 -1.090 1
1 1297 . 3 2 2 B 20 20 GLU N N 801 125.119 123.094 2.025 1
1 1298 . 3 2 2 B 21 21 PRO HA H 802 4.422 4.262 0.160 1
1 1305 . 3 2 2 B 21 21 PRO CA C 802 64.520 65.563 -1.043 1
1 1306 . 3 2 2 B 21 21 PRO CB C 802 31.355 30.417 0.938 1
1 1309 . 3 2 2 B 22 22 MET H H 803 7.303 7.596 -0.293 1
1 1310 . 3 2 2 B 22 22 MET HA H 803 4.062 4.064 -0.002 1
1 1318 . 3 2 2 B 22 22 MET CA C 803 55.686 57.761 -2.075 1
1 1319 . 3 2 2 B 22 22 MET CB C 803 33.481 31.948 1.533 1
1 1322 . 3 2 2 B 22 22 MET N N 803 110.769 115.129 -4.360 1
1 1323 . 3 2 2 B 23 23 GLU H H 804 7.624 7.811 -0.187 1
1 1324 . 3 2 2 B 23 23 GLU HA H 804 3.918 3.977 -0.059 1
1 1329 . 3 2 2 B 23 23 GLU CA C 804 59.221 59.123 0.098 1
1 1330 . 3 2 2 B 23 23 GLU CB C 804 28.993 29.244 -0.251 1
1 1332 . 3 2 2 B 23 23 GLU N N 804 118.699 118.395 0.304 1
1 1333 . 3 2 2 B 24 24 ILE H H 805 6.626 6.747 -0.121 1
1 1334 . 3 2 2 B 24 24 ILE HA H 805 3.999 3.705 0.294 1
1 1344 . 3 2 2 B 24 24 ILE CA C 805 62.734 63.935 -1.201 1
1 1345 . 3 2 2 B 24 24 ILE CB C 805 37.574 36.986 0.588 1
1 1349 . 3 2 2 B 24 24 ILE N N 805 111.524 116.347 -4.823 1
1 1350 . 3 2 2 B 25 25 PHE H H 806 7.515 7.276 0.239 1
1 1351 . 3 2 2 B 25 25 PHE HA H 806 4.524 4.397 0.127 1
1 1358 . 3 2 2 B 25 25 PHE CA C 806 55.760 61.394 -5.634 1
1 1359 . 3 2 2 B 25 25 PHE CB C 806 38.464 38.940 -0.476 1
1 1362 . 3 2 2 B 25 25 PHE N N 806 118.322 120.995 -2.673 1
1 1363 . 3 2 2 B 26 26 ARG H H 807 7.368 7.853 -0.485 1
1 1364 . 3 2 2 B 26 26 ARG HA H 807 4.024 4.111 -0.087 1
1 1371 . 3 2 2 B 26 26 ARG CA C 807 58.864 59.129 -0.265 1
1 1372 . 3 2 2 B 26 26 ARG CB C 807 30.872 29.897 0.975 1
1 1375 . 3 2 2 B 26 26 ARG N N 807 118.888 121.721 -2.833 1
1 1376 . 3 2 2 B 27 27 ASN H H 808 8.877 8.184 0.693 1
1 1377 . 3 2 2 B 27 27 ASN HA H 808 4.732 4.979 -0.247 1
1 1382 . 3 2 2 B 27 27 ASN CA C 808 53.413 52.041 1.372 1
1 1383 . 3 2 2 B 27 27 ASN CB C 808 38.244 38.975 -0.731 1
1 1384 . 3 2 2 B 27 27 ASN N N 808 117.000 114.097 2.903 1
1 1386 . 3 2 2 B 28 28 SER H H 809 7.969 7.939 0.030 1
1 1387 . 3 2 2 B 28 28 SER HA H 809 4.440 4.769 -0.329 1
1 1390 . 3 2 2 B 28 28 SER CA C 809 60.606 57.906 2.700 1
1 1391 . 3 2 2 B 28 28 SER CB C 809 64.021 64.414 -0.393 1
1 1392 . 3 2 2 B 28 28 SER N N 809 114.356 115.051 -0.695 1
1 1393 . 3 2 2 B 29 29 VAL HA H 810 4.304 4.773 -0.469 1
1 1401 . 3 2 2 B 29 29 VAL CA C 810 60.803 60.579 0.224 1
1 1402 . 3 2 2 B 29 29 VAL CB C 810 34.232 36.926 -2.694 1
1 1405 . 3 2 2 B 30 30 LYS H H 811 8.707 8.528 0.179 1
1 1406 . 3 2 2 B 30 30 LYS HA H 811 4.552 4.726 -0.174 1
1 1415 . 3 2 2 B 30 30 LYS CA C 811 55.058 54.805 0.253 1
1 1416 . 3 2 2 B 30 30 LYS CB C 811 31.782 32.739 -0.957 1
1 1420 . 3 2 2 B 30 30 LYS N N 811 127.196 124.347 2.849 1
1 1421 . 3 2 2 B 31 31 ILE H H 812 8.604 8.328 0.276 1
1 1422 . 3 2 2 B 31 31 ILE HA H 812 3.662 3.682 -0.020 1
1 1432 . 3 2 2 B 31 31 ILE CA C 812 64.066 65.281 -1.215 1
1 1433 . 3 2 2 B 31 31 ILE CB C 812 37.726 37.871 -0.145 1
1 1437 . 3 2 2 B 31 31 ILE N N 812 125.497 124.894 0.603 1
1 1438 . 3 2 2 B 32 32 GLU H H 813 9.330 8.320 1.010 1
1 1439 . 3 2 2 B 32 32 GLU HA H 813 4.162 4.193 -0.031 1
1 1444 . 3 2 2 B 32 32 GLU CA C 813 58.096 58.529 -0.433 1
1 1445 . 3 2 2 B 32 32 GLU CB C 813 28.834 29.958 -1.124 1
1 1447 . 3 2 2 B 32 32 GLU N N 813 118.888 118.027 0.861 1
1 1448 . 3 2 2 B 33 33 GLU H H 814 7.742 8.097 -0.355 1
1 1449 . 3 2 2 B 33 33 GLU HA H 814 4.334 4.110 0.224 1
1 1454 . 3 2 2 B 33 33 GLU CA C 814 56.441 59.866 -3.425 1
1 1455 . 3 2 2 B 33 33 GLU CB C 814 30.396 29.206 1.190 1
1 1457 . 3 2 2 B 33 33 GLU N N 814 117.566 119.458 -1.892 1
1 1458 . 3 2 2 B 34 34 ILE H H 815 7.598 7.360 0.238 1
1 1459 . 3 2 2 B 34 34 ILE HA H 815 4.216 3.746 0.470 1
1 1469 . 3 2 2 B 34 34 ILE CA C 815 61.047 64.932 -3.885 1
1 1470 . 3 2 2 B 34 34 ILE CB C 815 38.712 38.058 0.654 1
1 1474 . 3 2 2 B 34 34 ILE N N 815 117.566 118.688 -1.122 1
1 1475 . 3 2 2 B 35 35 MET H H 816 8.177 7.956 0.221 1
1 1476 . 3 2 2 B 35 35 MET HA H 816 4.733 4.560 0.173 1
1 1484 . 3 2 2 B 35 35 MET CA C 816 53.461 55.069 -1.608 1
1 1485 . 3 2 2 B 35 35 MET CB C 816 32.025 32.182 -0.157 1
1 1488 . 3 2 2 B 35 35 MET N N 816 122.665 121.134 1.531 1
1 1489 . 3 2 2 B 36 36 PRO HA H 817 4.743 4.293 0.450 1
1 1496 . 3 2 2 B 36 36 PRO CA C 817 62.542 64.438 -1.896 1
1 1497 . 3 2 2 B 36 36 PRO CB C 817 34.328 31.917 2.411 1
1 1500 . 3 2 2 B 37 37 ASN H H 818 8.374 8.068 0.306 1
1 1501 . 3 2 2 B 37 37 ASN HA H 818 4.752 4.412 0.340 1
1 1504 . 3 2 2 B 37 37 ASN CA C 818 52.995 53.960 -0.965 1
1 1505 . 3 2 2 B 37 37 ASN CB C 818 38.705 37.009 1.696 1
1 1506 . 3 2 2 B 37 37 ASN N N 818 117.378 116.518 0.860 1
1 1507 . 3 2 2 B 38 38 GLY H H 819 8.314 8.189 0.125 1
1 1508 . 3 2 2 B 38 38 GLY HA2 H 819 3.937 4.112 -0.175 1
1 1509 . 3 2 2 B 38 38 GLY HA3 H 819 3.994 4.113 -0.119 1
1 1510 . 3 2 2 B 38 38 GLY CA C 819 45.006 45.998 -0.992 1
1 1511 . 3 2 2 B 38 38 GLY N N 819 108.881 106.115 2.766 1
1 1512 . 3 2 2 B 39 39 ASP H H 820 8.157 7.833 0.324 1
1 1513 . 3 2 2 B 39 39 ASP HA H 820 4.939 4.969 -0.030 1
1 1516 . 3 2 2 B 39 39 ASP CA C 820 51.896 50.820 1.076 1
1 1517 . 3 2 2 B 39 39 ASP CB C 820 41.672 43.941 -2.269 1
1 1518 . 3 2 2 B 39 39 ASP N N 820 121.154 117.592 3.562 1
1 1519 . 3 2 2 B 40 40 PRO HA H 821 4.483 4.449 0.034 1
1 1526 . 3 2 2 B 40 40 PRO CA C 821 63.351 64.193 -0.842 1
1 1527 . 3 2 2 B 40 40 PRO CB C 821 32.066 32.123 -0.057 1
1 1530 . 3 2 2 B 41 41 LEU H H 822 8.440 7.569 0.871 1
1 1531 . 3 2 2 B 41 41 LEU HA H 822 4.262 4.070 0.192 1
1 1541 . 3 2 2 B 41 41 LEU CA C 822 55.539 57.146 -1.607 1
1 1542 . 3 2 2 B 41 41 LEU CB C 822 41.496 41.008 0.488 1
1 1546 . 3 2 2 B 41 41 LEU N N 822 119.644 118.532 1.112 1
1 1547 . 3 2 2 B 42 42 LEU H H 823 7.863 7.941 -0.078 1
1 1548 . 3 2 2 B 42 42 LEU HA H 823 4.353 4.150 0.203 1
1 1558 . 3 2 2 B 42 42 LEU CA C 823 54.598 57.367 -2.769 1
1 1559 . 3 2 2 B 42 42 LEU CB C 823 42.025 41.484 0.541 1
1 1563 . 3 2 2 B 42 42 LEU N N 823 120.399 120.127 0.272 1
1 1564 . 3 2 2 B 43 43 ALA H H 824 8.022 7.560 0.462 1
1 1565 . 3 2 2 B 43 43 ALA HA H 824 4.330 4.029 0.301 1
1 1569 . 3 2 2 B 43 43 ALA CA C 824 52.539 53.619 -1.080 1
1 1570 . 3 2 2 B 43 43 ALA CB C 824 19.126 18.904 0.222 1
1 1571 . 3 2 2 B 43 43 ALA N N 824 123.420 121.750 1.670 1
1 1572 . 3 2 2 B 44 44 GLY H H 825 8.346 8.655 -0.309 1
1 1573 . 3 2 2 B 44 44 GLY HA2 H 825 3.973 3.980 -0.007 1
1 1574 . 3 2 2 B 44 44 GLY HA3 H 825 3.973 3.984 -0.011 1
1 1575 . 3 2 2 B 44 44 GLY CA C 825 45.123 45.101 0.022 1
1 1576 . 3 2 2 B 44 44 GLY N N 825 107.559 110.960 -3.401 1
1 1577 . 3 2 2 B 45 45 GLN H H 826 8.204 7.945 0.259 1
1 1578 . 3 2 2 B 45 45 GLN HA H 826 4.377 4.397 -0.020 1
1 1585 . 3 2 2 B 45 45 GLN CA C 826 55.686 55.928 -0.242 1
1 1586 . 3 2 2 B 45 45 GLN CB C 826 29.376 29.724 -0.348 1
1 1588 . 3 2 2 B 45 45 GLN N N 826 119.266 118.114 1.152 1
1 1590 . 3 2 2 B 46 46 ASN H H 827 8.556 8.161 0.395 1
1 1591 . 3 2 2 B 46 46 ASN HA H 827 4.824 4.923 -0.099 1
1 1596 . 3 2 2 B 46 46 ASN CA C 827 53.216 52.198 1.018 1
1 1597 . 3 2 2 B 46 46 ASN CB C 827 38.759 39.217 -0.458 1
1 1598 . 3 2 2 B 46 46 ASN N N 827 119.266 118.079 1.187 1
1 1600 . 3 2 2 B 47 47 THR H H 828 8.127 7.400 0.727 1
1 1601 . 3 2 2 B 47 47 THR HA H 828 4.414 4.679 -0.265 1
1 1606 . 3 2 2 B 47 47 THR CA C 828 61.564 59.203 2.361 1
1 1607 . 3 2 2 B 47 47 THR CB C 828 69.507 72.058 -2.551 1
1 1609 . 3 2 2 B 47 47 THR N N 828 113.790 111.432 2.358 1
1 1610 . 3 2 2 B 48 48 VAL H H 829 8.140 8.690 -0.550 1
1 1611 . 3 2 2 B 48 48 VAL HA H 829 4.091 3.840 0.251 1
1 1619 . 3 2 2 B 48 48 VAL CA C 829 62.146 64.172 -2.026 1
1 1620 . 3 2 2 B 48 48 VAL CB C 829 32.515 31.226 1.289 1
1 1623 . 3 2 2 B 48 48 VAL N N 829 120.776 118.406 2.370 1
1 1624 . 3 2 2 B 49 49 ASP H H 830 8.287 7.846 0.441 1
1 1625 . 3 2 2 B 49 49 ASP HA H 830 4.617 4.386 0.231 1
1 1628 . 3 2 2 B 49 49 ASP CA C 830 54.308 57.323 -3.015 1
1 1629 . 3 2 2 B 49 49 ASP CB C 830 41.241 40.791 0.450 1
1 1630 . 3 2 2 B 49 49 ASP N N 830 123.042 122.890 0.152 1
1 1631 . 3 2 2 B 50 50 GLU H H 831 8.242 8.236 0.006 1
1 1632 . 3 2 2 B 50 50 GLU HA H 831 4.261 4.678 -0.417 1
1 1637 . 3 2 2 B 50 50 GLU CA C 831 56.521 55.638 0.883 1
1 1638 . 3 2 2 B 50 50 GLU CB C 831 30.209 30.624 -0.415 1
1 1640 . 3 2 2 B 50 50 GLU N N 831 120.776 117.955 2.821 1
1 1641 . 3 2 2 B 51 51 VAL H H 832 8.044 8.066 -0.022 1
1 1642 . 3 2 2 B 51 51 VAL HA H 832 3.988 4.544 -0.556 1
1 1650 . 3 2 2 B 51 51 VAL CA C 832 62.472 61.060 1.412 1
1 1651 . 3 2 2 B 51 51 VAL CB C 832 32.278 32.666 -0.388 1
1 1654 . 3 2 2 B 51 51 VAL N N 832 120.021 115.632 4.389 1
1 1655 . 3 2 2 B 52 52 TYR H H 833 8.148 8.058 0.090 1
1 1656 . 3 2 2 B 52 52 TYR HA H 833 4.598 4.804 -0.206 1
1 1663 . 3 2 2 B 52 52 TYR CA C 833 57.743 57.405 0.338 1
1 1664 . 3 2 2 B 52 52 TYR CB C 833 38.702 40.249 -1.547 1
1 1667 . 3 2 2 B 52 52 TYR N N 833 122.854 117.817 5.037 1
1 1668 . 3 2 2 B 53 53 VAL H H 834 7.868 7.538 0.330 1
1 1669 . 3 2 2 B 53 53 VAL HA H 834 4.114 3.490 0.624 1
1 1677 . 3 2 2 B 53 53 VAL CA C 834 61.508 61.371 0.137 1
1 1678 . 3 2 2 B 53 53 VAL CB C 834 33.010 32.912 0.098 1
1 1681 . 3 2 2 B 53 53 VAL N N 834 121.721 120.426 1.295 1
1 1682 . 3 2 2 B 54 54 SER H H 835 8.237 8.469 -0.232 1
1 1683 . 3 2 2 B 54 54 SER HA H 835 4.422 4.201 0.221 1
1 1686 . 3 2 2 B 54 54 SER CA C 835 57.823 60.293 -2.470 1
1 1687 . 3 2 2 B 54 54 SER CB C 835 63.437 62.836 0.601 1
1 1688 . 3 2 2 B 54 54 SER N N 835 119.077 116.663 2.414 1
1 1689 . 3 2 2 B 55 55 ARG H H 836 8.284 7.640 0.644 1
1 1690 . 3 2 2 B 55 55 ARG HA H 836 4.701 4.710 -0.009 1
1 1697 . 3 2 2 B 55 55 ARG CA C 836 53.601 53.591 0.010 1
1 1698 . 3 2 2 B 55 55 ARG CB C 836 30.394 30.894 -0.500 1
1 1701 . 3 2 2 B 55 55 ARG N N 836 123.798 121.856 1.942 1
1 1702 . 3 2 2 B 56 56 PRO HA H 837 4.485 4.492 -0.007 1
1 1709 . 3 2 2 B 56 56 PRO CA C 837 63.351 64.263 -0.912 1
1 1710 . 3 2 2 B 56 56 PRO CB C 837 31.795 31.823 -0.028 1
1 7 . 4 1 1 A 2 2 THR HA H 341 4.462 4.669 -0.207 1
1 12 . 4 1 1 A 2 2 THR CA C 341 61.936 60.943 0.993 1
1 13 . 4 1 1 A 2 2 THR CB C 341 69.770 69.664 0.106 1
1 15 . 4 1 1 A 3 3 GLY HA2 H 342 4.141 4.292 -0.151 1
1 16 . 4 1 1 A 3 3 GLY HA3 H 342 4.238 4.292 -0.054 1
1 17 . 4 1 1 A 3 3 GLY CA C 342 44.424 44.270 0.154 1
1 18 . 4 1 1 A 4 4 PRO HA H 343 4.567 4.277 0.290 1
1 25 . 4 1 1 A 4 4 PRO CA C 343 63.088 64.975 -1.887 1
1 26 . 4 1 1 A 4 4 PRO CB C 343 32.443 31.630 0.813 1
1 29 . 4 1 1 A 5 5 THR H H 344 8.284 8.170 0.114 1
1 30 . 4 1 1 A 5 5 THR HA H 344 4.342 4.212 0.130 1
1 35 . 4 1 1 A 5 5 THR CA C 344 61.936 63.988 -2.052 1
1 36 . 4 1 1 A 5 5 THR CB C 344 69.539 68.324 1.215 1
1 38 . 4 1 1 A 5 5 THR N N 344 113.968 109.703 4.265 1
1 39 . 4 1 1 A 6 6 ALA H H 345 8.269 7.939 0.330 1
1 40 . 4 1 1 A 6 6 ALA HA H 345 4.434 4.508 -0.074 1
1 44 . 4 1 1 A 6 6 ALA CA C 345 52.028 51.516 0.512 1
1 45 . 4 1 1 A 6 6 ALA CB C 345 19.771 20.441 -0.670 1
1 46 . 4 1 1 A 6 6 ALA N N 345 126.619 122.718 3.901 1
1 47 . 4 1 1 A 7 7 ASP H H 346 8.454 7.178 1.276 1
1 48 . 4 1 1 A 7 7 ASP HA H 346 4.917 4.551 0.366 1
1 51 . 4 1 1 A 7 7 ASP CA C 346 52.719 52.145 0.574 1
1 52 . 4 1 1 A 7 7 ASP CB C 346 41.659 41.843 -0.184 1
1 53 . 4 1 1 A 7 7 ASP N N 346 120.766 121.313 -0.547 1
1 54 . 4 1 1 A 8 8 PRO HA H 347 4.398 4.314 0.084 1
1 61 . 4 1 1 A 8 8 PRO CA C 347 64.931 65.418 -0.487 1
1 62 . 4 1 1 A 8 8 PRO CB C 347 32.388 31.793 0.595 1
1 65 . 4 1 1 A 9 9 GLU H H 348 8.113 7.928 0.185 1
1 66 . 4 1 1 A 9 9 GLU HA H 348 4.154 4.127 0.027 1
1 71 . 4 1 1 A 9 9 GLU CB C 348 30.138 29.251 0.887 1
1 73 . 4 1 1 A 9 9 GLU N N 348 116.423 118.117 -1.694 1
1 74 . 4 1 1 A 10 10 LYS H H 349 7.699 8.250 -0.551 1
1 75 . 4 1 1 A 10 10 LYS HA H 349 3.982 3.980 0.002 1
1 84 . 4 1 1 A 10 10 LYS CA C 349 60.092 59.567 0.525 1
1 85 . 4 1 1 A 10 10 LYS CB C 349 32.558 32.493 0.065 1
1 89 . 4 1 1 A 10 10 LYS N N 349 119.255 119.942 -0.687 1
1 90 . 4 1 1 A 11 11 ARG H H 350 7.845 8.122 -0.277 1
1 91 . 4 1 1 A 11 11 ARG HA H 350 3.656 3.960 -0.304 1
1 98 . 4 1 1 A 11 11 ARG CA C 350 60.092 59.336 0.756 1
1 99 . 4 1 1 A 11 11 ARG CB C 350 28.295 29.969 -1.674 1
1 102 . 4 1 1 A 11 11 ARG N N 350 117.178 119.266 -2.088 1
1 103 . 4 1 1 A 12 12 LYS H H 351 7.888 7.711 0.177 1
1 104 . 4 1 1 A 12 12 LYS HA H 351 4.198 4.092 0.106 1
1 109 . 4 1 1 A 12 12 LYS CA C 351 59.631 59.432 0.199 1
1 110 . 4 1 1 A 12 12 LYS CB C 351 32.673 32.169 0.504 1
1 112 . 4 1 1 A 12 12 LYS N N 351 117.745 118.237 -0.492 1
1 113 . 4 1 1 A 13 13 LEU H H 352 7.696 7.966 -0.270 1
1 114 . 4 1 1 A 13 13 LEU HA H 352 4.259 3.984 0.275 1
1 124 . 4 1 1 A 13 13 LEU CA C 352 58.019 57.964 0.055 1
1 125 . 4 1 1 A 13 13 LEU CB C 352 42.120 41.945 0.175 1
1 129 . 4 1 1 A 13 13 LEU N N 352 119.444 120.025 -0.581 1
1 130 . 4 1 1 A 14 14 ILE H H 353 7.831 7.650 0.181 1
1 131 . 4 1 1 A 14 14 ILE HA H 353 3.648 3.790 -0.142 1
1 141 . 4 1 1 A 14 14 ILE CA C 353 65.392 64.227 1.165 1
1 142 . 4 1 1 A 14 14 ILE CB C 353 38.203 37.502 0.701 1
1 146 . 4 1 1 A 14 14 ILE N N 353 118.311 115.246 3.065 1
1 147 . 4 1 1 A 15 15 GLN H H 354 8.178 7.969 0.209 1
1 148 . 4 1 1 A 15 15 GLN HA H 354 3.791 3.887 -0.096 1
1 155 . 4 1 1 A 15 15 GLN CA C 354 59.631 59.076 0.555 1
1 156 . 4 1 1 A 15 15 GLN CB C 354 30.369 28.272 2.097 1
1 158 . 4 1 1 A 15 15 GLN N N 354 116.423 121.046 -4.623 1
1 160 . 4 1 1 A 16 16 GLN H H 355 8.192 8.030 0.162 1
1 161 . 4 1 1 A 16 16 GLN HA H 355 3.799 4.095 -0.296 1
1 168 . 4 1 1 A 16 16 GLN CA C 355 59.171 58.986 0.185 1
1 169 . 4 1 1 A 16 16 GLN CB C 355 28.986 28.267 0.719 1
1 171 . 4 1 1 A 16 16 GLN N N 355 117.178 118.633 -1.455 1
1 173 . 4 1 1 A 17 17 GLN H H 356 7.970 7.812 0.158 1
1 174 . 4 1 1 A 17 17 GLN HA H 356 3.136 3.991 -0.855 1
1 181 . 4 1 1 A 17 17 GLN CA C 356 60.323 58.647 1.676 1
1 182 . 4 1 1 A 17 17 GLN CB C 356 27.143 28.140 -0.997 1
1 184 . 4 1 1 A 17 17 GLN N N 356 118.311 119.734 -1.423 1
1 186 . 4 1 1 A 18 18 LEU H H 357 8.408 8.010 0.398 1
1 187 . 4 1 1 A 18 18 LEU HA H 357 3.863 3.991 -0.128 1
1 197 . 4 1 1 A 18 18 LEU CA C 357 58.710 58.309 0.401 1
1 198 . 4 1 1 A 18 18 LEU CB C 357 40.968 41.465 -0.497 1
1 202 . 4 1 1 A 18 18 LEU N N 357 117.934 121.065 -3.131 1
1 203 . 4 1 1 A 19 19 VAL H H 358 8.544 8.075 0.469 1
1 204 . 4 1 1 A 19 19 VAL HA H 358 3.479 3.400 0.079 1
1 212 . 4 1 1 A 19 19 VAL CA C 358 66.544 66.844 -0.300 1
1 213 . 4 1 1 A 19 19 VAL CB C 358 31.060 31.453 -0.393 1
1 216 . 4 1 1 A 19 19 VAL N N 358 116.423 118.902 -2.479 1
1 217 . 4 1 1 A 20 20 LEU H H 359 7.820 8.037 -0.217 1
1 218 . 4 1 1 A 20 20 LEU HA H 359 3.952 3.938 0.014 1
1 228 . 4 1 1 A 20 20 LEU CA C 359 58.019 58.047 -0.028 1
1 229 . 4 1 1 A 20 20 LEU CB C 359 42.696 41.212 1.484 1
1 233 . 4 1 1 A 20 20 LEU N N 359 120.955 120.150 0.805 1
1 234 . 4 1 1 A 21 21 LEU H H 360 8.278 8.162 0.116 1
1 235 . 4 1 1 A 21 21 LEU HA H 360 3.868 4.069 -0.201 1
1 245 . 4 1 1 A 21 21 LEU CA C 360 58.710 58.015 0.695 1
1 246 . 4 1 1 A 21 21 LEU CB C 360 42.811 41.606 1.205 1
1 250 . 4 1 1 A 21 21 LEU N N 360 121.144 119.586 1.558 1
1 251 . 4 1 1 A 22 22 LEU H H 361 8.331 8.165 0.166 1
1 252 . 4 1 1 A 22 22 LEU HA H 361 3.919 3.892 0.027 1
1 262 . 4 1 1 A 22 22 LEU CA C 361 57.788 57.970 -0.182 1
1 263 . 4 1 1 A 22 22 LEU CB C 361 41.083 41.596 -0.513 1
1 267 . 4 1 1 A 22 22 LEU N N 361 118.500 117.538 0.962 1
1 268 . 4 1 1 A 23 23 HIS H H 362 8.620 8.416 0.204 1
1 269 . 4 1 1 A 23 23 HIS HA H 362 4.114 4.259 -0.145 1
1 274 . 4 1 1 A 23 23 HIS CA C 362 60.323 59.614 0.709 1
1 275 . 4 1 1 A 23 23 HIS CB C 362 27.834 29.753 -1.919 1
1 278 . 4 1 1 A 23 23 HIS N N 362 117.934 118.162 -0.228 1
1 279 . 4 1 1 A 24 24 ALA H H 363 9.049 8.329 0.720 1
1 280 . 4 1 1 A 24 24 ALA HA H 363 3.954 3.954 0.000 1
1 284 . 4 1 1 A 24 24 ALA CA C 363 55.253 55.099 0.154 1
1 285 . 4 1 1 A 24 24 ALA CB C 363 19.079 17.790 1.289 1
1 286 . 4 1 1 A 24 24 ALA N N 363 121.710 120.621 1.089 1
1 287 . 4 1 1 A 25 25 HIS H H 364 7.955 8.227 -0.272 1
1 288 . 4 1 1 A 25 25 HIS HA H 364 4.130 4.175 -0.045 1
1 293 . 4 1 1 A 25 25 HIS CA C 364 60.092 59.622 0.470 1
1 294 . 4 1 1 A 25 25 HIS CB C 364 31.060 29.637 1.423 1
1 297 . 4 1 1 A 25 25 HIS N N 364 115.856 118.381 -2.525 1
1 298 . 4 1 1 A 26 26 LYS H H 365 7.053 7.587 -0.534 1
1 299 . 4 1 1 A 26 26 LYS HA H 365 4.014 4.064 -0.050 1
1 302 . 4 1 1 A 26 26 LYS CA C 365 57.788 58.898 -1.110 1
1 303 . 4 1 1 A 26 26 LYS CB C 365 32.903 32.242 0.661 1
1 304 . 4 1 1 A 26 26 LYS N N 365 117.178 119.237 -2.059 1
1 305 . 4 1 1 A 27 27 CYS H H 366 8.592 8.085 0.507 1
1 306 . 4 1 1 A 27 27 CYS HA H 366 3.741 3.973 -0.232 1
1 309 . 4 1 1 A 27 27 CYS CA C 366 62.396 62.492 -0.096 1
1 310 . 4 1 1 A 27 27 CYS CB C 366 29.678 26.771 2.907 1
1 311 . 4 1 1 A 27 27 CYS N N 366 123.976 119.265 4.711 1
1 312 . 4 1 1 A 28 28 GLN H H 367 8.349 8.334 0.015 1
1 313 . 4 1 1 A 28 28 GLN HA H 367 4.283 3.951 0.332 1
1 320 . 4 1 1 A 28 28 GLN CA C 367 57.327 59.163 -1.836 1
1 321 . 4 1 1 A 28 28 GLN CB C 367 29.217 28.340 0.877 1
1 323 . 4 1 1 A 28 28 GLN N N 367 119.444 120.070 -0.626 1
1 325 . 4 1 1 A 29 29 ARG H H 368 7.635 7.965 -0.330 1
1 326 . 4 1 1 A 29 29 ARG HA H 368 4.169 4.064 0.105 1
1 333 . 4 1 1 A 29 29 ARG CA C 368 57.558 59.165 -1.607 1
1 334 . 4 1 1 A 29 29 ARG CB C 368 29.908 29.875 0.033 1
1 337 . 4 1 1 A 29 29 ARG N N 368 119.444 118.823 0.621 1
1 338 . 4 1 1 A 30 30 ARG H H 369 8.018 7.738 0.280 1
1 339 . 4 1 1 A 30 30 ARG HA H 369 4.260 4.111 0.149 1
1 346 . 4 1 1 A 30 30 ARG CA C 369 57.558 59.562 -2.004 1
1 347 . 4 1 1 A 30 30 ARG CB C 369 30.599 30.155 0.444 1
1 350 . 4 1 1 A 30 30 ARG N N 369 120.388 119.197 1.191 1
1 351 . 4 1 1 A 31 31 GLU H H 370 8.208 7.843 0.365 1
1 352 . 4 1 1 A 31 31 GLU HA H 370 4.236 4.105 0.131 1
1 357 . 4 1 1 A 31 31 GLU CA C 370 57.788 59.066 -1.278 1
1 358 . 4 1 1 A 31 31 GLU CB C 370 30.369 29.308 1.061 1
1 360 . 4 1 1 A 31 31 GLU N N 370 120.388 119.506 0.882 1
1 361 . 4 1 1 A 32 32 GLN H H 371 8.165 8.520 -0.355 1
1 362 . 4 1 1 A 32 32 GLN HA H 371 4.313 4.068 0.245 1
1 367 . 4 1 1 A 32 32 GLN CA C 371 56.636 58.239 -1.603 1
1 368 . 4 1 1 A 32 32 GLN CB C 371 29.217 27.726 1.491 1
1 370 . 4 1 1 A 32 32 GLN N N 371 118.878 117.748 1.130 1
1 371 . 4 1 1 A 33 33 ALA H H 372 8.095 7.879 0.216 1
1 372 . 4 1 1 A 33 33 ALA HA H 372 4.327 4.290 0.037 1
1 376 . 4 1 1 A 33 33 ALA CA C 372 53.180 54.312 -1.132 1
1 377 . 4 1 1 A 33 33 ALA CB C 372 19.079 18.942 0.137 1
1 378 . 4 1 1 A 33 33 ALA N N 372 123.032 121.415 1.617 1
1 379 . 4 1 1 A 34 34 ASN H H 373 8.186 7.949 0.237 1
1 380 . 4 1 1 A 34 34 ASN HA H 373 4.735 4.573 0.162 1
1 383 . 4 1 1 A 34 34 ASN CA C 373 53.410 55.119 -1.709 1
1 384 . 4 1 1 A 34 34 ASN CB C 373 38.894 39.326 -0.432 1
1 385 . 4 1 1 A 34 34 ASN N N 373 115.479 117.111 -1.632 1
1 386 . 4 1 1 A 35 35 GLY H H 374 8.266 7.632 0.634 1
1 387 . 4 1 1 A 35 35 GLY HA2 H 374 3.943 4.029 -0.086 1
1 388 . 4 1 1 A 35 35 GLY HA3 H 374 4.044 4.030 0.014 1
1 389 . 4 1 1 A 35 35 GLY CA C 374 45.576 45.329 0.247 1
1 390 . 4 1 1 A 35 35 GLY N N 374 108.492 106.735 1.757 1
1 391 . 4 1 1 A 36 36 GLU H H 375 8.132 8.342 -0.210 1
1 392 . 4 1 1 A 36 36 GLU HA H 375 4.368 3.844 0.524 1
1 397 . 4 1 1 A 36 36 GLU CA C 375 55.945 57.641 -1.696 1
1 398 . 4 1 1 A 36 36 GLU CB C 375 30.369 27.157 3.212 1
1 400 . 4 1 1 A 36 36 GLU N N 375 119.822 115.343 4.479 1
1 401 . 4 1 1 A 37 37 VAL H H 376 8.132 7.749 0.383 1
1 402 . 4 1 1 A 37 37 VAL HA H 376 4.139 4.650 -0.511 1
1 410 . 4 1 1 A 37 37 VAL CA C 376 62.166 59.895 2.271 1
1 411 . 4 1 1 A 37 37 VAL CB C 376 32.673 35.821 -3.148 1
1 414 . 4 1 1 A 37 37 VAL N N 376 121.144 118.142 3.002 1
1 415 . 4 1 1 A 38 38 ARG H H 377 8.455 8.536 -0.081 1
1 416 . 4 1 1 A 38 38 ARG HA H 377 4.392 4.506 -0.114 1
1 423 . 4 1 1 A 38 38 ARG CA C 377 55.253 56.875 -1.622 1
1 424 . 4 1 1 A 38 38 ARG CB C 377 31.060 30.527 0.533 1
1 427 . 4 1 1 A 38 38 ARG N N 377 125.109 125.718 -0.609 1
1 428 . 4 1 1 A 39 39 ALA H H 378 8.384 8.608 -0.224 1
1 429 . 4 1 1 A 39 39 ALA HA H 378 4.287 4.708 -0.421 1
1 433 . 4 1 1 A 39 39 ALA CA C 378 52.028 50.955 1.073 1
1 434 . 4 1 1 A 39 39 ALA CB C 378 19.540 19.665 -0.125 1
1 435 . 4 1 1 A 39 39 ALA N N 378 126.053 127.922 -1.869 1
1 436 . 4 1 1 A 40 40 CYS H H 379 8.480 7.720 0.760 1
1 437 . 4 1 1 A 40 40 CYS HA H 379 4.344 4.908 -0.564 1
1 440 . 4 1 1 A 40 40 CYS CA C 379 60.092 57.740 2.352 1
1 441 . 4 1 1 A 40 40 CYS CB C 379 30.138 31.439 -1.301 1
1 442 . 4 1 1 A 40 40 CYS N N 379 123.787 118.389 5.398 1
1 443 . 4 1 1 A 41 41 SER HA H 380 4.588 4.707 -0.119 1
1 446 . 4 1 1 A 41 41 SER CA C 380 57.788 58.101 -0.313 1
1 447 . 4 1 1 A 41 41 SER CB C 380 63.779 65.367 -1.588 1
1 448 . 4 1 1 A 42 42 LEU H H 381 8.642 7.326 1.316 1
1 449 . 4 1 1 A 42 42 LEU HA H 381 4.488 4.337 0.151 1
1 459 . 4 1 1 A 42 42 LEU CA C 381 53.871 53.115 0.756 1
1 460 . 4 1 1 A 42 42 LEU CB C 381 41.659 42.915 -1.256 1
1 464 . 4 1 1 A 42 42 LEU N N 381 129.074 123.800 5.274 1
1 465 . 4 1 1 A 43 43 PRO HA H 382 4.095 4.087 0.008 1
1 472 . 4 1 1 A 43 43 PRO CA C 382 64.470 64.688 -0.218 1
1 473 . 4 1 1 A 43 43 PRO CB C 382 31.751 31.523 0.228 1
1 476 . 4 1 1 A 44 44 HIS H H 383 8.014 8.027 -0.013 1
1 477 . 4 1 1 A 44 44 HIS HA H 383 4.527 4.950 -0.423 1
1 482 . 4 1 1 A 44 44 HIS CA C 383 58.249 55.112 3.137 1
1 483 . 4 1 1 A 44 44 HIS CB C 383 30.369 30.149 0.220 1
1 486 . 4 1 1 A 44 44 HIS N N 383 110.569 113.413 -2.844 1
1 487 . 4 1 1 A 45 45 CYS H H 384 7.729 7.898 -0.169 1
1 488 . 4 1 1 A 45 45 CYS HA H 384 4.023 3.903 0.120 1
1 491 . 4 1 1 A 45 45 CYS CA C 384 64.470 62.614 1.856 1
1 492 . 4 1 1 A 45 45 CYS CB C 384 28.756 26.651 2.105 1
1 493 . 4 1 1 A 45 45 CYS N N 384 124.165 120.783 3.382 1
1 494 . 4 1 1 A 46 46 ARG H H 385 8.239 8.095 0.144 1
1 495 . 4 1 1 A 46 46 ARG HA H 385 3.978 4.121 -0.143 1
1 502 . 4 1 1 A 46 46 ARG CA C 385 59.401 58.784 0.617 1
1 503 . 4 1 1 A 46 46 ARG CB C 385 28.986 30.319 -1.333 1
1 506 . 4 1 1 A 46 46 ARG N N 385 116.612 119.539 -2.927 1
1 507 . 4 1 1 A 47 47 THR H H 386 7.496 8.083 -0.587 1
1 508 . 4 1 1 A 47 47 THR HA H 386 4.008 3.894 0.114 1
1 513 . 4 1 1 A 47 47 THR CA C 386 65.853 67.127 -1.274 1
1 514 . 4 1 1 A 47 47 THR CB C 386 68.387 68.463 -0.076 1
1 516 . 4 1 1 A 47 47 THR N N 386 114.346 116.389 -2.043 1
1 517 . 4 1 1 A 48 48 MET H H 387 8.216 8.119 0.097 1
1 518 . 4 1 1 A 48 48 MET HA H 387 4.622 4.026 0.596 1
1 526 . 4 1 1 A 48 48 MET CA C 387 56.636 59.129 -2.493 1
1 527 . 4 1 1 A 48 48 MET CB C 387 31.291 32.938 -1.647 1
1 530 . 4 1 1 A 48 48 MET N N 387 119.444 118.340 1.104 1
1 531 . 4 1 1 A 49 49 LYS H H 388 9.306 8.337 0.969 1
1 532 . 4 1 1 A 49 49 LYS HA H 388 3.923 3.939 -0.016 1
1 541 . 4 1 1 A 49 49 LYS CA C 388 61.244 60.321 0.923 1
1 542 . 4 1 1 A 49 49 LYS CB C 388 32.903 32.343 0.560 1
1 546 . 4 1 1 A 49 49 LYS N N 388 122.276 117.769 4.507 1
1 547 . 4 1 1 A 50 50 ASN H H 389 8.069 8.244 -0.175 1
1 548 . 4 1 1 A 50 50 ASN HA H 389 4.629 4.594 0.035 1
1 553 . 4 1 1 A 50 50 ASN CA C 389 56.175 56.136 0.039 1
1 554 . 4 1 1 A 50 50 ASN CB C 389 37.512 38.640 -1.128 1
1 555 . 4 1 1 A 50 50 ASN N N 389 117.178 117.991 -0.813 1
1 557 . 4 1 1 A 51 51 VAL H H 390 8.116 7.868 0.248 1
1 558 . 4 1 1 A 51 51 VAL HA H 390 3.803 3.718 0.085 1
1 566 . 4 1 1 A 51 51 VAL CA C 390 67.235 66.487 0.748 1
1 567 . 4 1 1 A 51 51 VAL CB C 390 31.751 31.636 0.115 1
1 570 . 4 1 1 A 51 51 VAL N N 390 123.598 119.859 3.739 1
1 571 . 4 1 1 A 52 52 LEU H H 391 8.735 8.448 0.287 1
1 572 . 4 1 1 A 52 52 LEU HA H 391 4.123 4.058 0.065 1
1 582 . 4 1 1 A 52 52 LEU CA C 391 58.479 58.185 0.294 1
1 583 . 4 1 1 A 52 52 LEU CB C 391 41.659 41.254 0.405 1
1 587 . 4 1 1 A 52 52 LEU N N 391 120.955 119.678 1.277 1
1 588 . 4 1 1 A 53 53 ASN H H 392 8.231 8.464 -0.233 1
1 589 . 4 1 1 A 53 53 ASN HA H 392 4.561 4.583 -0.022 1
1 594 . 4 1 1 A 53 53 ASN CA C 392 56.175 56.459 -0.284 1
1 595 . 4 1 1 A 53 53 ASN CB C 392 38.433 37.498 0.935 1
1 596 . 4 1 1 A 53 53 ASN N N 392 116.801 117.271 -0.470 1
1 598 . 4 1 1 A 54 54 HIS H H 393 8.049 8.318 -0.269 1
1 599 . 4 1 1 A 54 54 HIS HA H 393 4.418 4.349 0.069 1
1 604 . 4 1 1 A 54 54 HIS CA C 393 59.401 60.040 -0.639 1
1 605 . 4 1 1 A 54 54 HIS CB C 393 27.604 29.922 -2.318 1
1 608 . 4 1 1 A 54 54 HIS N N 393 120.011 120.616 -0.605 1
1 609 . 4 1 1 A 55 55 MET H H 394 9.118 8.529 0.589 1
1 610 . 4 1 1 A 55 55 MET HA H 394 3.704 3.935 -0.231 1
1 618 . 4 1 1 A 55 55 MET CA C 394 59.401 58.552 0.849 1
1 619 . 4 1 1 A 55 55 MET CB C 394 34.286 32.488 1.798 1
1 622 . 4 1 1 A 55 55 MET N N 394 119.066 117.058 2.008 1
1 623 . 4 1 1 A 56 56 THR H H 395 7.521 7.862 -0.341 1
1 624 . 4 1 1 A 56 56 THR HA H 395 3.915 4.080 -0.165 1
1 629 . 4 1 1 A 56 56 THR CA C 395 65.392 63.903 1.489 1
1 630 . 4 1 1 A 56 56 THR CB C 395 69.309 68.023 1.286 1
1 632 . 4 1 1 A 56 56 THR N N 395 110.758 116.036 -5.278 1
1 633 . 4 1 1 A 57 57 HIS H H 396 7.023 7.885 -0.862 1
1 634 . 4 1 1 A 57 57 HIS HA H 396 4.846 4.728 0.118 1
1 639 . 4 1 1 A 57 57 HIS CA C 396 55.023 55.912 -0.889 1
1 640 . 4 1 1 A 57 57 HIS CB C 396 30.830 31.631 -0.801 1
1 643 . 4 1 1 A 57 57 HIS N N 396 115.668 115.276 0.392 1
1 644 . 4 1 1 A 58 58 CYS H H 397 7.134 7.410 -0.276 1
1 645 . 4 1 1 A 58 58 CYS HA H 397 4.048 4.201 -0.153 1
1 648 . 4 1 1 A 58 58 CYS CA C 397 60.784 60.037 0.747 1
1 649 . 4 1 1 A 58 58 CYS CB C 397 29.678 27.749 1.929 1
1 650 . 4 1 1 A 58 58 CYS N N 397 123.598 118.953 4.645 1
1 651 . 4 1 1 A 59 59 GLN HA H 398 4.710 4.691 0.019 1
1 656 . 4 1 1 A 59 59 GLN CA C 398 55.023 55.578 -0.555 1
1 657 . 4 1 1 A 59 59 GLN CB C 398 29.678 29.998 -0.320 1
1 659 . 4 1 1 A 60 60 ALA H H 399 8.689 7.432 1.257 1
1 660 . 4 1 1 A 60 60 ALA HA H 399 4.414 4.338 0.076 1
1 664 . 4 1 1 A 60 60 ALA CA C 399 52.949 51.988 0.961 1
1 665 . 4 1 1 A 60 60 ALA CB C 399 20.001 19.561 0.440 1
1 666 . 4 1 1 A 60 60 ALA N N 399 124.731 122.445 2.286 1
1 667 . 4 1 1 A 61 61 GLY H H 400 8.166 8.398 -0.232 1
1 668 . 4 1 1 A 61 61 GLY HA2 H 400 3.621 3.908 -0.287 1
1 669 . 4 1 1 A 61 61 GLY HA3 H 400 3.976 3.913 0.063 1
1 670 . 4 1 1 A 61 61 GLY CA C 400 46.267 46.862 -0.595 1
1 671 . 4 1 1 A 61 61 GLY N N 400 107.926 108.021 -0.095 1
1 672 . 4 1 1 A 62 62 LYS HA H 401 4.138 4.205 -0.067 1
1 673 . 4 1 1 A 62 62 LYS CA C 401 58.479 58.215 0.264 1
1 674 . 4 1 1 A 63 63 ALA H H 402 7.671 7.385 0.286 1
1 675 . 4 1 1 A 63 63 ALA HA H 402 4.448 4.462 -0.014 1
1 679 . 4 1 1 A 63 63 ALA CA C 402 51.336 51.461 -0.125 1
1 680 . 4 1 1 A 63 63 ALA CB C 402 19.079 19.783 -0.704 1
1 681 . 4 1 1 A 63 63 ALA N N 402 119.444 121.086 -1.642 1
1 682 . 4 1 1 A 64 64 CYS H H 403 7.497 7.236 0.261 1
1 683 . 4 1 1 A 64 64 CYS HA H 403 3.857 4.342 -0.485 1
1 686 . 4 1 1 A 64 64 CYS CA C 403 62.396 59.821 2.575 1
1 687 . 4 1 1 A 64 64 CYS CB C 403 29.908 28.570 1.338 1
1 688 . 4 1 1 A 64 64 CYS N N 403 121.899 118.506 3.393 1
1 689 . 4 1 1 A 65 65 GLN H H 404 9.025 8.858 0.167 1
1 690 . 4 1 1 A 65 65 GLN HA H 404 4.463 4.243 0.220 1
1 697 . 4 1 1 A 65 65 GLN CA C 404 55.673 57.678 -2.005 1
1 698 . 4 1 1 A 65 65 GLN CB C 404 29.332 29.053 0.279 1
1 700 . 4 1 1 A 65 65 GLN N N 404 128.885 123.869 5.016 1
1 702 . 4 1 1 A 66 66 VAL H H 405 9.337 7.273 2.064 1
1 703 . 4 1 1 A 66 66 VAL HA H 405 3.631 4.093 -0.462 1
1 711 . 4 1 1 A 66 66 VAL CA C 405 64.240 62.887 1.353 1
1 712 . 4 1 1 A 66 66 VAL CB C 405 30.830 31.051 -0.221 1
1 715 . 4 1 1 A 66 66 VAL N N 405 127.752 120.199 7.553 1
1 716 . 4 1 1 A 67 67 ALA H H 406 8.581 8.689 -0.108 1
1 717 . 4 1 1 A 67 67 ALA HA H 406 3.761 3.898 -0.137 1
1 721 . 4 1 1 A 67 67 ALA CA C 406 54.101 55.225 -1.124 1
1 722 . 4 1 1 A 67 67 ALA CB C 406 17.467 18.229 -0.762 1
1 723 . 4 1 1 A 67 67 ALA N N 406 133.983 130.171 3.812 1
1 724 . 4 1 1 A 68 68 HIS H H 407 8.099 7.606 0.493 1
1 725 . 4 1 1 A 68 68 HIS HA H 407 4.407 4.397 0.010 1
1 730 . 4 1 1 A 68 68 HIS CA C 407 57.327 58.358 -1.031 1
1 731 . 4 1 1 A 68 68 HIS CB C 407 29.447 30.211 -0.764 1
1 734 . 4 1 1 A 68 68 HIS N N 407 110.569 114.375 -3.806 1
1 735 . 4 1 1 A 69 69 CYS H H 408 8.086 7.647 0.439 1
1 736 . 4 1 1 A 69 69 CYS HA H 408 4.163 4.068 0.095 1
1 739 . 4 1 1 A 69 69 CYS CA C 408 64.240 62.459 1.781 1
1 740 . 4 1 1 A 69 69 CYS CB C 408 29.908 26.967 2.941 1
1 741 . 4 1 1 A 69 69 CYS N N 408 126.619 118.652 7.967 1
1 742 . 4 1 1 A 70 70 ALA H H 409 8.728 8.055 0.673 1
1 743 . 4 1 1 A 70 70 ALA HA H 409 4.333 4.072 0.261 1
1 747 . 4 1 1 A 70 70 ALA CA C 409 55.253 55.438 -0.185 1
1 748 . 4 1 1 A 70 70 ALA CB C 409 17.697 18.060 -0.363 1
1 749 . 4 1 1 A 70 70 ALA N N 409 118.689 122.983 -4.294 1
1 750 . 4 1 1 A 71 71 SER H H 410 9.179 8.058 1.121 1
1 751 . 4 1 1 A 71 71 SER HA H 410 4.138 4.115 0.023 1
1 754 . 4 1 1 A 71 71 SER CA C 410 60.323 61.913 -1.590 1
1 755 . 4 1 1 A 71 71 SER CB C 410 61.244 62.914 -1.670 1
1 756 . 4 1 1 A 71 71 SER N N 410 114.535 114.189 0.346 1
1 757 . 4 1 1 A 72 72 SER H H 411 7.937 8.327 -0.390 1
1 758 . 4 1 1 A 72 72 SER HA H 411 4.048 4.201 -0.153 1
1 762 . 4 1 1 A 72 72 SER CA C 411 64.240 61.689 2.551 1
1 763 . 4 1 1 A 72 72 SER CB C 411 62.396 62.881 -0.485 1
1 764 . 4 1 1 A 72 72 SER N N 411 120.766 117.427 3.339 1
1 765 . 4 1 1 A 73 73 ARG H H 412 8.835 8.197 0.638 1
1 766 . 4 1 1 A 73 73 ARG HA H 412 3.855 4.075 -0.220 1
1 773 . 4 1 1 A 73 73 ARG CA C 412 60.323 59.779 0.544 1
1 774 . 4 1 1 A 73 73 ARG CB C 412 30.369 30.051 0.318 1
1 777 . 4 1 1 A 73 73 ARG N N 412 122.276 121.910 0.366 1
1 778 . 4 1 1 A 74 74 GLN H H 413 7.873 7.393 0.480 1
1 779 . 4 1 1 A 74 74 GLN HA H 413 4.182 4.178 0.004 1
1 786 . 4 1 1 A 74 74 GLN CA C 413 58.710 58.578 0.132 1
1 787 . 4 1 1 A 74 74 GLN CB C 413 29.447 28.566 0.881 1
1 789 . 4 1 1 A 74 74 GLN N N 413 118.689 118.996 -0.307 1
1 791 . 4 1 1 A 75 75 ILE H H 414 8.754 8.520 0.234 1
1 792 . 4 1 1 A 75 75 ILE HA H 414 3.617 3.995 -0.378 1
1 802 . 4 1 1 A 75 75 ILE CA C 414 66.544 64.563 1.981 1
1 803 . 4 1 1 A 75 75 ILE CB C 414 38.664 37.572 1.092 1
1 807 . 4 1 1 A 75 75 ILE N N 414 121.710 119.846 1.864 1
1 808 . 4 1 1 A 76 76 ILE H H 415 8.856 8.386 0.470 1
1 809 . 4 1 1 A 76 76 ILE HA H 415 3.863 3.653 0.210 1
1 819 . 4 1 1 A 76 76 ILE CA C 415 64.701 65.594 -0.893 1
1 820 . 4 1 1 A 76 76 ILE CB C 415 37.051 37.772 -0.721 1
1 824 . 4 1 1 A 76 76 ILE N N 415 120.199 122.942 -2.743 1
1 825 . 4 1 1 A 77 77 SER H H 416 7.981 8.147 -0.166 1
1 826 . 4 1 1 A 77 77 SER HA H 416 4.153 4.137 0.016 1
1 829 . 4 1 1 A 77 77 SER CA C 416 62.166 62.394 -0.228 1
1 830 . 4 1 1 A 77 77 SER CB C 416 62.627 63.119 -0.492 1
1 831 . 4 1 1 A 77 77 SER N N 416 114.346 116.735 -2.389 1
1 832 . 4 1 1 A 78 78 HIS H H 417 8.126 7.416 0.710 1
1 833 . 4 1 1 A 78 78 HIS HA H 417 4.154 4.440 -0.286 1
1 838 . 4 1 1 A 78 78 HIS CA C 417 60.553 59.649 0.904 1
1 839 . 4 1 1 A 78 78 HIS CB C 417 28.065 30.435 -2.370 1
1 842 . 4 1 1 A 78 78 HIS N N 417 118.878 121.147 -2.269 1
1 843 . 4 1 1 A 79 79 TRP H H 418 8.417 8.005 0.412 1
1 844 . 4 1 1 A 79 79 TRP HA H 418 4.451 4.243 0.208 1
1 853 . 4 1 1 A 79 79 TRP CA C 418 59.862 60.577 -0.715 1
1 854 . 4 1 1 A 79 79 TRP CB C 418 30.369 29.676 0.693 1
1 860 . 4 1 1 A 79 79 TRP N N 418 119.255 121.399 -2.144 1
1 862 . 4 1 1 A 80 80 LYS H H 419 8.412 8.113 0.299 1
1 863 . 4 1 1 A 80 80 LYS HA H 419 3.714 3.854 -0.140 1
1 872 . 4 1 1 A 80 80 LYS CA C 419 58.710 58.160 0.550 1
1 873 . 4 1 1 A 80 80 LYS CB C 419 32.673 32.107 0.566 1
1 877 . 4 1 1 A 80 80 LYS N N 419 115.101 117.699 -2.598 1
1 878 . 4 1 1 A 81 81 ASN H H 420 7.416 7.694 -0.278 1
1 879 . 4 1 1 A 81 81 ASN HA H 420 4.713 4.720 -0.007 1
1 884 . 4 1 1 A 81 81 ASN CA C 420 53.410 53.965 -0.555 1
1 885 . 4 1 1 A 81 81 ASN CB C 420 40.737 41.339 -0.602 1
1 886 . 4 1 1 A 81 81 ASN N N 420 113.968 114.592 -0.624 1
1 888 . 4 1 1 A 82 82 CYS H H 421 7.617 7.705 -0.088 1
1 889 . 4 1 1 A 82 82 CYS HA H 421 3.986 4.175 -0.189 1
1 892 . 4 1 1 A 82 82 CYS CA C 421 61.244 59.439 1.805 1
1 893 . 4 1 1 A 82 82 CYS CB C 421 28.756 28.074 0.682 1
1 894 . 4 1 1 A 82 82 CYS N N 421 124.354 118.548 5.806 1
1 895 . 4 1 1 A 83 83 THR H H 422 8.535 8.605 -0.070 1
1 896 . 4 1 1 A 83 83 THR HA H 422 4.527 4.325 0.202 1
1 901 . 4 1 1 A 83 83 THR CA C 422 60.553 62.435 -1.882 1
1 902 . 4 1 1 A 83 83 THR CB C 422 69.309 69.508 -0.199 1
1 904 . 4 1 1 A 83 83 THR N N 422 118.500 118.363 0.137 1
1 905 . 4 1 1 A 84 84 ARG HA H 423 4.448 4.220 0.228 1
1 912 . 4 1 1 A 84 84 ARG CA C 423 56.175 55.935 0.240 1
1 913 . 4 1 1 A 84 84 ARG CB C 423 31.521 30.820 0.701 1
1 916 . 4 1 1 A 85 85 HIS HA H 424 4.391 4.490 -0.099 1
1 921 . 4 1 1 A 85 85 HIS CA C 424 58.479 57.352 1.127 1
1 922 . 4 1 1 A 85 85 HIS CB C 424 30.138 29.466 0.672 1
1 925 . 4 1 1 A 86 86 ASP H H 425 7.962 7.980 -0.018 1
1 926 . 4 1 1 A 86 86 ASP HA H 425 4.525 4.697 -0.172 1
1 929 . 4 1 1 A 86 86 ASP CA C 425 51.567 53.121 -1.554 1
1 930 . 4 1 1 A 86 86 ASP CB C 425 39.585 41.575 -1.990 1
1 931 . 4 1 1 A 86 86 ASP N N 425 116.612 116.008 0.604 1
1 932 . 4 1 1 A 87 87 CYS H H 426 6.974 6.922 0.052 1
1 933 . 4 1 1 A 87 87 CYS HA H 426 4.247 4.453 -0.206 1
1 936 . 4 1 1 A 87 87 CYS CA C 426 57.558 57.786 -0.228 1
1 937 . 4 1 1 A 87 87 CYS CB C 426 31.291 28.627 2.664 1
1 938 . 4 1 1 A 87 87 CYS N N 426 122.276 120.815 1.461 1
1 939 . 4 1 1 A 88 88 PRO HA H 427 4.445 4.380 0.065 1
1 944 . 4 1 1 A 88 88 PRO CA C 427 64.009 64.437 -0.428 1
1 945 . 4 1 1 A 88 88 PRO CB C 427 32.558 32.004 0.554 1
1 947 . 4 1 1 A 89 89 VAL H H 428 8.460 7.463 0.997 1
1 948 . 4 1 1 A 89 89 VAL HA H 428 3.719 4.091 -0.372 1
1 956 . 4 1 1 A 89 89 VAL CA C 428 65.622 63.946 1.676 1
1 957 . 4 1 1 A 89 89 VAL CB C 428 33.134 33.144 -0.010 1
1 960 . 4 1 1 A 89 89 VAL N N 428 119.822 114.599 5.223 1
1 961 . 4 1 1 A 90 90 CYS H H 429 8.729 8.087 0.642 1
1 962 . 4 1 1 A 90 90 CYS HA H 429 4.225 4.389 -0.164 1
1 965 . 4 1 1 A 90 90 CYS CA C 429 63.779 62.586 1.193 1
1 966 . 4 1 1 A 90 90 CYS CB C 429 31.291 26.910 4.381 1
1 967 . 4 1 1 A 90 90 CYS N N 429 118.878 118.268 0.610 1
1 968 . 4 1 1 A 91 91 LEU H H 430 7.907 8.176 -0.269 1
1 969 . 4 1 1 A 91 91 LEU HA H 430 4.214 4.109 0.105 1
1 979 . 4 1 1 A 91 91 LEU CA C 430 60.323 60.317 0.006 1
1 980 . 4 1 1 A 91 91 LEU CB C 430 39.125 40.095 -0.970 1
1 984 . 4 1 1 A 91 91 LEU N N 430 118.878 123.232 -4.354 1
1 985 . 4 1 1 A 92 92 PRO HA H 431 4.460 4.357 0.103 1
1 992 . 4 1 1 A 92 92 PRO CA C 431 65.161 65.614 -0.453 1
1 993 . 4 1 1 A 92 92 PRO CB C 431 31.291 30.817 0.474 1
1 996 . 4 1 1 A 93 93 LEU H H 432 7.459 7.428 0.031 1
1 997 . 4 1 1 A 93 93 LEU HA H 432 4.359 3.889 0.470 1
1 1007 . 4 1 1 A 93 93 LEU CA C 432 55.945 57.399 -1.454 1
1 1008 . 4 1 1 A 93 93 LEU CB C 432 42.350 40.895 1.455 1
1 1012 . 4 1 1 A 93 93 LEU N N 432 115.290 117.043 -1.753 1
1 1013 . 4 1 1 A 94 94 LYS H H 433 7.975 8.548 -0.573 1
1 1014 . 4 1 1 A 94 94 LYS HA H 433 4.390 4.247 0.143 1
1 1022 . 4 1 1 A 94 94 LYS CA C 433 57.558 59.779 -2.221 1
1 1023 . 4 1 1 A 94 94 LYS CB C 433 33.134 32.053 1.081 1
1 1027 . 4 1 1 A 94 94 LYS N N 433 119.255 118.367 0.888 1
1 1028 . 4 1 1 A 95 95 ASN H H 434 8.368 8.099 0.269 1
1 1029 . 4 1 1 A 95 95 ASN HA H 434 4.733 4.485 0.248 1
1 1034 . 4 1 1 A 95 95 ASN CA C 434 53.410 56.025 -2.615 1
1 1035 . 4 1 1 A 95 95 ASN CB C 434 38.894 38.474 0.420 1
1 1036 . 4 1 1 A 95 95 ASN N N 434 117.934 118.224 -0.290 1
1 1038 . 4 1 1 A 96 96 ALA H H 435 8.040 8.291 -0.251 1
1 1039 . 4 1 1 A 96 96 ALA HA H 435 4.376 4.049 0.327 1
1 1043 . 4 1 1 A 96 96 ALA CA C 435 52.949 55.346 -2.397 1
1 1044 . 4 1 1 A 96 96 ALA CB C 435 19.310 18.677 0.633 1
1 1045 . 4 1 1 A 96 96 ALA N N 435 123.221 122.820 0.401 1
1 1046 . 4 1 1 A 97 97 SER H H 436 8.138 8.364 -0.226 1
1 1047 . 4 1 1 A 97 97 SER HA H 436 4.450 4.489 -0.039 1
1 1050 . 4 1 1 A 97 97 SER CA C 436 58.710 59.047 -0.337 1
1 1051 . 4 1 1 A 97 97 SER CB C 436 63.779 62.931 0.848 1
1 1052 . 4 1 1 A 97 97 SER N N 436 113.591 112.283 1.308 1
1 1053 . 4 1 1 A 98 98 ASP H H 437 8.214 8.523 -0.309 1
1 1054 . 4 1 1 A 98 98 ASP HA H 437 4.662 5.015 -0.353 1
1 1057 . 4 1 1 A 98 98 ASP CA C 437 54.332 55.811 -1.479 1
1 1058 . 4 1 1 A 98 98 ASP CB C 437 41.198 43.910 -2.712 1
1 1059 . 4 1 1 A 98 98 ASP N N 437 121.521 120.978 0.543 1
1 1060 . 4 1 1 A 99 99 LYS H H 438 8.062 7.862 0.200 1
1 1061 . 4 1 1 A 99 99 LYS HA H 438 4.363 4.517 -0.154 1
1 1070 . 4 1 1 A 99 99 LYS CA C 438 55.945 54.941 1.004 1
1 1071 . 4 1 1 A 99 99 LYS CB C 438 32.720 33.675 -0.955 1
1 1075 . 4 1 1 A 99 99 LYS N N 438 121.144 116.775 4.369 1
1 1092 . 4 2 2 B 2 2 SER HA H 783 4.524 4.379 0.145 1
1 1095 . 4 2 2 B 2 2 SER CA C 783 58.053 59.475 -1.422 1
1 1096 . 4 2 2 B 2 2 SER CB C 783 64.502 63.482 1.020 1
1 1097 . 4 2 2 B 3 3 HIS HA H 784 4.721 4.586 0.135 1
1 1102 . 4 2 2 B 3 3 HIS CA C 784 55.750 56.855 -1.105 1
1 1103 . 4 2 2 B 3 3 HIS CB C 784 30.167 30.595 -0.428 1
1 1106 . 4 2 2 B 4 4 MET HA H 785 4.495 5.096 -0.601 1
1 1114 . 4 2 2 B 4 4 MET CA C 785 55.058 54.351 0.707 1
1 1115 . 4 2 2 B 4 4 MET CB C 785 32.727 37.785 -5.058 1
1 1118 . 4 2 2 B 5 5 VAL H H 786 8.163 8.713 -0.550 1
1 1119 . 4 2 2 B 5 5 VAL HA H 786 4.464 4.920 -0.456 1
1 1127 . 4 2 2 B 5 5 VAL CA C 786 59.478 57.599 1.879 1
1 1128 . 4 2 2 B 5 5 VAL CB C 786 32.606 34.510 -1.904 1
1 1131 . 4 2 2 B 5 5 VAL N N 786 122.854 115.620 7.234 1
1 1132 . 4 2 2 B 6 6 PRO HA H 787 4.437 4.830 -0.393 1
1 1137 . 4 2 2 B 6 6 PRO CA C 787 62.667 62.282 0.385 1
1 1138 . 4 2 2 B 6 6 PRO CB C 787 32.010 29.219 2.791 1
1 1140 . 4 2 2 B 7 7 GLU H H 788 8.306 8.423 -0.117 1
1 1141 . 4 2 2 B 7 7 GLU HA H 788 4.654 4.919 -0.265 1
1 1146 . 4 2 2 B 7 7 GLU CA C 788 53.568 53.604 -0.036 1
1 1147 . 4 2 2 B 7 7 GLU CB C 788 30.011 30.369 -0.358 1
1 1149 . 4 2 2 B 7 7 GLU N N 788 123.231 122.322 0.909 1
1 1150 . 4 2 2 B 8 8 PRO HA H 789 4.490 4.521 -0.031 1
1 1157 . 4 2 2 B 8 8 PRO CA C 789 62.253 62.729 -0.476 1
1 1158 . 4 2 2 B 8 8 PRO CB C 789 32.483 32.181 0.302 1
1 1161 . 4 2 2 B 9 9 ASP H H 790 8.272 8.346 -0.074 1
1 1162 . 4 2 2 B 9 9 ASP HA H 790 4.456 4.695 -0.239 1
1 1165 . 4 2 2 B 9 9 ASP CA C 790 54.137 53.718 0.419 1
1 1166 . 4 2 2 B 9 9 ASP CB C 790 41.016 40.057 0.959 1
1 1167 . 4 2 2 B 9 9 ASP N N 790 118.511 120.172 -1.661 1
1 1168 . 4 2 2 B 10 10 LEU H H 791 8.463 8.274 0.189 1
1 1169 . 4 2 2 B 10 10 LEU HA H 791 4.356 4.164 0.192 1
1 1179 . 4 2 2 B 10 10 LEU CA C 791 52.531 53.244 -0.713 1
1 1180 . 4 2 2 B 10 10 LEU CB C 791 42.609 42.864 -0.255 1
1 1184 . 4 2 2 B 10 10 LEU N N 791 121.343 127.041 -5.698 1
1 1185 . 4 2 2 B 11 11 PRO HA H 792 4.553 4.404 0.149 1
1 1192 . 4 2 2 B 11 11 PRO CA C 792 62.788 63.046 -0.258 1
1 1193 . 4 2 2 B 11 11 PRO CB C 792 32.716 32.246 0.470 1
1 1196 . 4 2 2 B 12 12 HIS HA H 793 3.989 4.163 -0.174 1
1 1201 . 4 2 2 B 12 12 HIS CA C 793 60.326 59.592 0.734 1
1 1202 . 4 2 2 B 12 12 HIS CB C 793 30.803 29.639 1.164 1
1 1205 . 4 2 2 B 13 13 ASP H H 794 8.938 8.870 0.068 1
1 1206 . 4 2 2 B 13 13 ASP HA H 794 4.460 4.360 0.100 1
1 1209 . 4 2 2 B 13 13 ASP CA C 794 54.581 56.753 -2.172 1
1 1210 . 4 2 2 B 13 13 ASP CB C 794 38.061 39.519 -1.458 1
1 1211 . 4 2 2 B 13 13 ASP N N 794 114.734 118.970 -4.236 1
1 1212 . 4 2 2 B 14 14 LEU H H 795 7.674 7.626 0.048 1
1 1213 . 4 2 2 B 14 14 LEU HA H 795 4.546 4.287 0.259 1
1 1223 . 4 2 2 B 14 14 LEU CA C 795 53.478 55.980 -2.502 1
1 1224 . 4 2 2 B 14 14 LEU CB C 795 43.597 42.182 1.415 1
1 1228 . 4 2 2 B 14 14 LEU N N 795 116.056 119.761 -3.705 1
1 1229 . 4 2 2 B 15 15 ARG H H 796 7.225 8.101 -0.876 1
1 1230 . 4 2 2 B 15 15 ARG HA H 796 3.809 3.887 -0.078 1
1 1237 . 4 2 2 B 15 15 ARG CA C 796 58.744 59.819 -1.075 1
1 1238 . 4 2 2 B 15 15 ARG CB C 796 30.413 29.872 0.541 1
1 1241 . 4 2 2 B 15 15 ARG N N 796 116.434 119.671 -3.237 1
1 1242 . 4 2 2 B 16 16 HIS HA H 797 4.703 4.459 0.244 1
1 1247 . 4 2 2 B 16 16 HIS CA C 797 55.289 58.682 -3.393 1
1 1248 . 4 2 2 B 16 16 HIS CB C 797 29.538 30.005 -0.467 1
1 1251 . 4 2 2 B 17 17 LEU H H 798 6.982 7.357 -0.375 1
1 1252 . 4 2 2 B 17 17 LEU HA H 798 4.071 4.098 -0.027 1
1 1262 . 4 2 2 B 17 17 LEU CA C 798 54.807 55.497 -0.690 1
1 1263 . 4 2 2 B 17 17 LEU CB C 798 42.206 42.358 -0.152 1
1 1267 . 4 2 2 B 17 17 LEU N N 798 120.399 120.310 0.089 1
1 1268 . 4 2 2 B 18 18 ASN H H 799 8.789 8.648 0.141 1
1 1269 . 4 2 2 B 18 18 ASN HA H 799 4.857 4.851 0.006 1
1 1274 . 4 2 2 B 18 18 ASN CA C 799 52.166 52.624 -0.458 1
1 1275 . 4 2 2 B 18 18 ASN CB C 799 37.842 38.402 -0.560 1
1 1276 . 4 2 2 B 18 18 ASN N N 799 121.343 123.011 -1.668 1
1 1278 . 4 2 2 B 19 19 THR H H 800 8.585 8.574 0.011 1
1 1279 . 4 2 2 B 19 19 THR HA H 800 4.522 4.356 0.166 1
1 1284 . 4 2 2 B 19 19 THR CA C 800 62.143 63.678 -1.535 1
1 1285 . 4 2 2 B 19 19 THR CB C 800 68.865 68.936 -0.071 1
1 1287 . 4 2 2 B 19 19 THR N N 800 115.301 118.394 -3.093 1
1 1288 . 4 2 2 B 20 20 GLU H H 801 8.415 7.849 0.566 1
1 1289 . 4 2 2 B 20 20 GLU HA H 801 4.337 4.108 0.229 1
1 1294 . 4 2 2 B 20 20 GLU CA C 801 61.496 61.380 0.116 1
1 1295 . 4 2 2 B 20 20 GLU CB C 801 26.493 27.241 -0.748 1
1 1297 . 4 2 2 B 20 20 GLU N N 801 125.119 121.852 3.267 1
1 1298 . 4 2 2 B 21 21 PRO HA H 802 4.422 4.315 0.107 1
1 1305 . 4 2 2 B 21 21 PRO CA C 802 64.520 65.083 -0.563 1
1 1306 . 4 2 2 B 21 21 PRO CB C 802 31.355 30.911 0.444 1
1 1309 . 4 2 2 B 22 22 MET H H 803 7.303 7.595 -0.292 1
1 1310 . 4 2 2 B 22 22 MET HA H 803 4.062 4.008 0.054 1
1 1318 . 4 2 2 B 22 22 MET CA C 803 55.686 57.641 -1.955 1
1 1319 . 4 2 2 B 22 22 MET CB C 803 33.481 31.938 1.543 1
1 1322 . 4 2 2 B 22 22 MET N N 803 110.769 116.166 -5.397 1
1 1323 . 4 2 2 B 23 23 GLU H H 804 7.624 7.799 -0.175 1
1 1324 . 4 2 2 B 23 23 GLU HA H 804 3.918 3.968 -0.050 1
1 1329 . 4 2 2 B 23 23 GLU CA C 804 59.221 59.087 0.134 1
1 1330 . 4 2 2 B 23 23 GLU CB C 804 28.993 29.330 -0.337 1
1 1332 . 4 2 2 B 23 23 GLU N N 804 118.699 118.449 0.250 1
1 1333 . 4 2 2 B 24 24 ILE H H 805 6.626 7.181 -0.555 1
1 1334 . 4 2 2 B 24 24 ILE HA H 805 3.999 3.687 0.312 1
1 1344 . 4 2 2 B 24 24 ILE CA C 805 62.734 64.041 -1.307 1
1 1345 . 4 2 2 B 24 24 ILE CB C 805 37.574 37.040 0.534 1
1 1349 . 4 2 2 B 24 24 ILE N N 805 111.524 116.162 -4.638 1
1 1350 . 4 2 2 B 25 25 PHE H H 806 7.515 7.469 0.046 1
1 1351 . 4 2 2 B 25 25 PHE HA H 806 4.524 4.400 0.124 1
1 1358 . 4 2 2 B 25 25 PHE CA C 806 55.760 61.878 -6.118 1
1 1359 . 4 2 2 B 25 25 PHE CB C 806 38.464 38.397 0.067 1
1 1362 . 4 2 2 B 25 25 PHE N N 806 118.322 120.985 -2.663 1
1 1363 . 4 2 2 B 26 26 ARG H H 807 7.368 8.024 -0.656 1
1 1364 . 4 2 2 B 26 26 ARG HA H 807 4.024 4.108 -0.084 1
1 1371 . 4 2 2 B 26 26 ARG CA C 807 58.864 58.833 0.031 1
1 1372 . 4 2 2 B 26 26 ARG CB C 807 30.872 30.020 0.852 1
1 1375 . 4 2 2 B 26 26 ARG N N 807 118.888 121.049 -2.161 1
1 1376 . 4 2 2 B 27 27 ASN H H 808 8.877 8.156 0.721 1
1 1377 . 4 2 2 B 27 27 ASN HA H 808 4.732 4.992 -0.260 1
1 1382 . 4 2 2 B 27 27 ASN CA C 808 53.413 52.050 1.363 1
1 1383 . 4 2 2 B 27 27 ASN CB C 808 38.244 38.984 -0.740 1
1 1384 . 4 2 2 B 27 27 ASN N N 808 117.000 113.305 3.695 1
1 1386 . 4 2 2 B 28 28 SER H H 809 7.969 7.976 -0.007 1
1 1387 . 4 2 2 B 28 28 SER HA H 809 4.440 4.727 -0.287 1
1 1390 . 4 2 2 B 28 28 SER CA C 809 60.606 57.929 2.677 1
1 1391 . 4 2 2 B 28 28 SER CB C 809 64.021 64.381 -0.360 1
1 1392 . 4 2 2 B 28 28 SER N N 809 114.356 115.129 -0.773 1
1 1393 . 4 2 2 B 29 29 VAL HA H 810 4.304 4.781 -0.477 1
1 1401 . 4 2 2 B 29 29 VAL CA C 810 60.803 60.205 0.598 1
1 1402 . 4 2 2 B 29 29 VAL CB C 810 34.232 36.860 -2.628 1
1 1405 . 4 2 2 B 30 30 LYS H H 811 8.707 8.484 0.223 1
1 1406 . 4 2 2 B 30 30 LYS HA H 811 4.552 4.731 -0.179 1
1 1415 . 4 2 2 B 30 30 LYS CA C 811 55.058 54.900 0.158 1
1 1416 . 4 2 2 B 30 30 LYS CB C 811 31.782 33.064 -1.282 1
1 1420 . 4 2 2 B 30 30 LYS N N 811 127.196 124.074 3.122 1
1 1421 . 4 2 2 B 31 31 ILE H H 812 8.604 8.377 0.227 1
1 1422 . 4 2 2 B 31 31 ILE HA H 812 3.662 3.686 -0.024 1
1 1432 . 4 2 2 B 31 31 ILE CA C 812 64.066 65.095 -1.029 1
1 1433 . 4 2 2 B 31 31 ILE CB C 812 37.726 37.724 0.002 1
1 1437 . 4 2 2 B 31 31 ILE N N 812 125.497 124.828 0.669 1
1 1438 . 4 2 2 B 32 32 GLU H H 813 9.330 8.345 0.985 1
1 1439 . 4 2 2 B 32 32 GLU HA H 813 4.162 4.185 -0.023 1
1 1444 . 4 2 2 B 32 32 GLU CA C 813 58.096 58.669 -0.573 1
1 1445 . 4 2 2 B 32 32 GLU CB C 813 28.834 30.041 -1.207 1
1 1447 . 4 2 2 B 32 32 GLU N N 813 118.888 118.701 0.187 1
1 1448 . 4 2 2 B 33 33 GLU H H 814 7.742 7.957 -0.215 1
1 1449 . 4 2 2 B 33 33 GLU HA H 814 4.334 4.259 0.075 1
1 1454 . 4 2 2 B 33 33 GLU CA C 814 56.441 58.450 -2.009 1
1 1455 . 4 2 2 B 33 33 GLU CB C 814 30.396 29.974 0.422 1
1 1457 . 4 2 2 B 33 33 GLU N N 814 117.566 118.582 -1.016 1
1 1458 . 4 2 2 B 34 34 ILE H H 815 7.598 7.412 0.186 1
1 1459 . 4 2 2 B 34 34 ILE HA H 815 4.216 3.898 0.318 1
1 1469 . 4 2 2 B 34 34 ILE CA C 815 61.047 64.722 -3.675 1
1 1470 . 4 2 2 B 34 34 ILE CB C 815 38.712 38.354 0.358 1
1 1474 . 4 2 2 B 34 34 ILE N N 815 117.566 118.136 -0.570 1
1 1475 . 4 2 2 B 35 35 MET H H 816 8.177 7.675 0.502 1
1 1476 . 4 2 2 B 35 35 MET HA H 816 4.733 4.624 0.109 1
1 1484 . 4 2 2 B 35 35 MET CA C 816 53.461 53.831 -0.370 1
1 1485 . 4 2 2 B 35 35 MET CB C 816 32.025 33.709 -1.684 1
1 1488 . 4 2 2 B 35 35 MET N N 816 122.665 121.425 1.240 1
1 1489 . 4 2 2 B 36 36 PRO HA H 817 4.743 4.478 0.265 1
1 1496 . 4 2 2 B 36 36 PRO CA C 817 62.542 63.642 -1.100 1
1 1497 . 4 2 2 B 36 36 PRO CB C 817 34.328 32.619 1.709 1
1 1500 . 4 2 2 B 37 37 ASN H H 818 8.374 8.187 0.187 1
1 1501 . 4 2 2 B 37 37 ASN HA H 818 4.752 4.426 0.326 1
1 1504 . 4 2 2 B 37 37 ASN CA C 818 52.995 53.916 -0.921 1
1 1505 . 4 2 2 B 37 37 ASN CB C 818 38.705 36.262 2.443 1
1 1506 . 4 2 2 B 37 37 ASN N N 818 117.378 117.139 0.239 1
1 1507 . 4 2 2 B 38 38 GLY H H 819 8.314 8.068 0.246 1
1 1508 . 4 2 2 B 38 38 GLY HA2 H 819 3.937 3.793 0.144 1
1 1509 . 4 2 2 B 38 38 GLY HA3 H 819 3.994 3.795 0.199 1
1 1510 . 4 2 2 B 38 38 GLY CA C 819 45.006 47.028 -2.022 1
1 1511 . 4 2 2 B 38 38 GLY N N 819 108.881 108.568 0.313 1
1 1512 . 4 2 2 B 39 39 ASP H H 820 8.157 8.004 0.153 1
1 1513 . 4 2 2 B 39 39 ASP HA H 820 4.939 5.008 -0.069 1
1 1516 . 4 2 2 B 39 39 ASP CA C 820 51.896 51.074 0.822 1
1 1517 . 4 2 2 B 39 39 ASP CB C 820 41.672 44.287 -2.615 1
1 1518 . 4 2 2 B 39 39 ASP N N 820 121.154 116.717 4.437 1
1 1519 . 4 2 2 B 40 40 PRO HA H 821 4.483 4.396 0.087 1
1 1526 . 4 2 2 B 40 40 PRO CA C 821 63.351 65.085 -1.734 1
1 1527 . 4 2 2 B 40 40 PRO CB C 821 32.066 32.191 -0.125 1
1 1530 . 4 2 2 B 41 41 LEU H H 822 8.440 7.563 0.877 1
1 1531 . 4 2 2 B 41 41 LEU HA H 822 4.262 4.051 0.211 1
1 1541 . 4 2 2 B 41 41 LEU CA C 822 55.539 57.164 -1.625 1
1 1542 . 4 2 2 B 41 41 LEU CB C 822 41.496 41.056 0.440 1
1 1546 . 4 2 2 B 41 41 LEU N N 822 119.644 116.657 2.987 1
1 1547 . 4 2 2 B 42 42 LEU H H 823 7.863 7.899 -0.036 1
1 1548 . 4 2 2 B 42 42 LEU HA H 823 4.353 4.062 0.291 1
1 1558 . 4 2 2 B 42 42 LEU CA C 823 54.598 57.364 -2.766 1
1 1559 . 4 2 2 B 42 42 LEU CB C 823 42.025 41.597 0.428 1
1 1563 . 4 2 2 B 42 42 LEU N N 823 120.399 119.822 0.577 1
1 1564 . 4 2 2 B 43 43 ALA H H 824 8.022 8.268 -0.246 1
1 1565 . 4 2 2 B 43 43 ALA HA H 824 4.330 4.106 0.224 1
1 1569 . 4 2 2 B 43 43 ALA CA C 824 52.539 55.396 -2.857 1
1 1570 . 4 2 2 B 43 43 ALA CB C 824 19.126 18.546 0.580 1
1 1571 . 4 2 2 B 43 43 ALA N N 824 123.420 121.361 2.059 1
1 1572 . 4 2 2 B 44 44 GLY H H 825 8.346 7.916 0.430 1
1 1573 . 4 2 2 B 44 44 GLY HA2 H 825 3.973 3.817 0.156 1
1 1574 . 4 2 2 B 44 44 GLY HA3 H 825 3.973 3.818 0.155 1
1 1575 . 4 2 2 B 44 44 GLY CA C 825 45.123 47.089 -1.966 1
1 1576 . 4 2 2 B 44 44 GLY N N 825 107.559 105.164 2.395 1
1 1577 . 4 2 2 B 45 45 GLN H H 826 8.204 7.587 0.617 1
1 1578 . 4 2 2 B 45 45 GLN HA H 826 4.377 4.061 0.316 1
1 1585 . 4 2 2 B 45 45 GLN CA C 826 55.686 58.692 -3.006 1
1 1586 . 4 2 2 B 45 45 GLN CB C 826 29.376 28.433 0.943 1
1 1588 . 4 2 2 B 45 45 GLN N N 826 119.266 120.945 -1.679 1
1 1590 . 4 2 2 B 46 46 ASN H H 827 8.556 7.866 0.690 1
1 1591 . 4 2 2 B 46 46 ASN HA H 827 4.824 4.779 0.045 1
1 1596 . 4 2 2 B 46 46 ASN CA C 827 53.216 52.993 0.223 1
1 1597 . 4 2 2 B 46 46 ASN CB C 827 38.759 38.787 -0.028 1
1 1598 . 4 2 2 B 46 46 ASN N N 827 119.266 117.500 1.766 1
1 1600 . 4 2 2 B 47 47 THR H H 828 8.127 7.871 0.256 1
1 1601 . 4 2 2 B 47 47 THR HA H 828 4.414 4.296 0.118 1
1 1606 . 4 2 2 B 47 47 THR CA C 828 61.564 62.719 -1.155 1
1 1607 . 4 2 2 B 47 47 THR CB C 828 69.507 68.873 0.634 1
1 1609 . 4 2 2 B 47 47 THR N N 828 113.790 113.275 0.515 1
1 1610 . 4 2 2 B 48 48 VAL H H 829 8.140 8.706 -0.566 1
1 1611 . 4 2 2 B 48 48 VAL HA H 829 4.091 4.134 -0.043 1
1 1619 . 4 2 2 B 48 48 VAL CA C 829 62.146 61.895 0.251 1
1 1620 . 4 2 2 B 48 48 VAL CB C 829 32.515 31.052 1.463 1
1 1623 . 4 2 2 B 48 48 VAL N N 829 120.776 123.770 -2.994 1
1 1624 . 4 2 2 B 49 49 ASP H H 830 8.287 8.350 -0.063 1
1 1625 . 4 2 2 B 49 49 ASP HA H 830 4.617 4.390 0.227 1
1 1628 . 4 2 2 B 49 49 ASP CA C 830 54.308 55.493 -1.185 1
1 1629 . 4 2 2 B 49 49 ASP CB C 830 41.241 39.004 2.237 1
1 1630 . 4 2 2 B 49 49 ASP N N 830 123.042 117.385 5.657 1
1 1631 . 4 2 2 B 50 50 GLU H H 831 8.242 8.201 0.041 1
1 1632 . 4 2 2 B 50 50 GLU HA H 831 4.261 4.162 0.099 1
1 1637 . 4 2 2 B 50 50 GLU CA C 831 56.521 58.983 -2.462 1
1 1638 . 4 2 2 B 50 50 GLU CB C 831 30.209 29.027 1.182 1
1 1640 . 4 2 2 B 50 50 GLU N N 831 120.776 118.311 2.465 1
1 1641 . 4 2 2 B 51 51 VAL H H 832 8.044 8.076 -0.032 1
1 1642 . 4 2 2 B 51 51 VAL HA H 832 3.988 3.988 0.000 1
1 1650 . 4 2 2 B 51 51 VAL CA C 832 62.472 63.921 -1.449 1
1 1651 . 4 2 2 B 51 51 VAL CB C 832 32.278 31.922 0.356 1
1 1654 . 4 2 2 B 51 51 VAL N N 832 120.021 118.903 1.118 1
1 1655 . 4 2 2 B 52 52 TYR H H 833 8.148 8.540 -0.392 1
1 1656 . 4 2 2 B 52 52 TYR HA H 833 4.598 4.751 -0.153 1
1 1663 . 4 2 2 B 52 52 TYR CA C 833 57.743 60.032 -2.289 1
1 1664 . 4 2 2 B 52 52 TYR CB C 833 38.702 40.736 -2.034 1
1 1667 . 4 2 2 B 52 52 TYR N N 833 122.854 122.406 0.448 1
1 1668 . 4 2 2 B 53 53 VAL H H 834 7.868 8.285 -0.417 1
1 1669 . 4 2 2 B 53 53 VAL HA H 834 4.114 3.993 0.121 1
1 1677 . 4 2 2 B 53 53 VAL CA C 834 61.508 64.214 -2.706 1
1 1678 . 4 2 2 B 53 53 VAL CB C 834 33.010 31.757 1.253 1
1 1681 . 4 2 2 B 53 53 VAL N N 834 121.721 116.812 4.909 1
1 1682 . 4 2 2 B 54 54 SER H H 835 8.237 7.581 0.656 1
1 1683 . 4 2 2 B 54 54 SER HA H 835 4.422 4.568 -0.146 1
1 1686 . 4 2 2 B 54 54 SER CA C 835 57.823 56.218 1.605 1
1 1687 . 4 2 2 B 54 54 SER CB C 835 63.437 65.676 -2.239 1
1 1688 . 4 2 2 B 54 54 SER N N 835 119.077 115.143 3.934 1
1 1689 . 4 2 2 B 55 55 ARG H H 836 8.284 8.472 -0.188 1
1 1690 . 4 2 2 B 55 55 ARG HA H 836 4.701 4.301 0.400 1
1 1697 . 4 2 2 B 55 55 ARG CA C 836 53.601 54.248 -0.647 1
1 1698 . 4 2 2 B 55 55 ARG CB C 836 30.394 30.772 -0.378 1
1 1701 . 4 2 2 B 55 55 ARG N N 836 123.798 124.634 -0.836 1
1 1702 . 4 2 2 B 56 56 PRO HA H 837 4.485 4.536 -0.051 1
1 1709 . 4 2 2 B 56 56 PRO CA C 837 63.351 63.171 0.180 1
1 1710 . 4 2 2 B 56 56 PRO CB C 837 31.795 32.808 -1.013 1
1 7 . 5 1 1 A 2 2 THR HA H 341 4.462 4.070 0.392 1
1 12 . 5 1 1 A 2 2 THR CA C 341 61.936 65.997 -4.061 1
1 13 . 5 1 1 A 2 2 THR CB C 341 69.770 69.099 0.671 1
1 15 . 5 1 1 A 3 3 GLY HA2 H 342 4.141 4.057 0.084 1
1 16 . 5 1 1 A 3 3 GLY HA3 H 342 4.238 4.058 0.180 1
1 17 . 5 1 1 A 3 3 GLY CA C 342 44.424 45.049 -0.625 1
1 18 . 5 1 1 A 4 4 PRO HA H 343 4.567 4.357 0.210 1
1 25 . 5 1 1 A 4 4 PRO CA C 343 63.088 64.583 -1.495 1
1 26 . 5 1 1 A 4 4 PRO CB C 343 32.443 31.953 0.490 1
1 29 . 5 1 1 A 5 5 THR H H 344 8.284 7.732 0.552 1
1 30 . 5 1 1 A 5 5 THR HA H 344 4.342 4.316 0.026 1
1 35 . 5 1 1 A 5 5 THR CA C 344 61.936 62.245 -0.309 1
1 36 . 5 1 1 A 5 5 THR CB C 344 69.539 69.198 0.341 1
1 38 . 5 1 1 A 5 5 THR N N 344 113.968 107.724 6.244 1
1 39 . 5 1 1 A 6 6 ALA H H 345 8.269 7.560 0.709 1
1 40 . 5 1 1 A 6 6 ALA HA H 345 4.434 4.898 -0.464 1
1 44 . 5 1 1 A 6 6 ALA CA C 345 52.028 50.521 1.507 1
1 45 . 5 1 1 A 6 6 ALA CB C 345 19.771 22.666 -2.895 1
1 46 . 5 1 1 A 6 6 ALA N N 345 126.619 123.849 2.770 1
1 47 . 5 1 1 A 7 7 ASP H H 346 8.454 8.602 -0.148 1
1 48 . 5 1 1 A 7 7 ASP HA H 346 4.917 5.028 -0.111 1
1 51 . 5 1 1 A 7 7 ASP CA C 346 52.719 51.354 1.365 1
1 52 . 5 1 1 A 7 7 ASP CB C 346 41.659 41.832 -0.173 1
1 53 . 5 1 1 A 7 7 ASP N N 346 120.766 121.233 -0.467 1
1 54 . 5 1 1 A 8 8 PRO HA H 347 4.398 4.339 0.059 1
1 61 . 5 1 1 A 8 8 PRO CA C 347 64.931 64.984 -0.053 1
1 62 . 5 1 1 A 8 8 PRO CB C 347 32.388 31.925 0.463 1
1 65 . 5 1 1 A 9 9 GLU H H 348 8.113 7.813 0.300 1
1 66 . 5 1 1 A 9 9 GLU HA H 348 4.154 4.104 0.050 1
1 71 . 5 1 1 A 9 9 GLU CB C 348 30.138 29.904 0.234 1
1 73 . 5 1 1 A 9 9 GLU N N 348 116.423 117.891 -1.468 1
1 74 . 5 1 1 A 10 10 LYS H H 349 7.699 8.232 -0.533 1
1 75 . 5 1 1 A 10 10 LYS HA H 349 3.982 4.003 -0.021 1
1 84 . 5 1 1 A 10 10 LYS CA C 349 60.092 59.402 0.690 1
1 85 . 5 1 1 A 10 10 LYS CB C 349 32.558 32.013 0.545 1
1 89 . 5 1 1 A 10 10 LYS N N 349 119.255 119.697 -0.442 1
1 90 . 5 1 1 A 11 11 ARG H H 350 7.845 8.016 -0.171 1
1 91 . 5 1 1 A 11 11 ARG HA H 350 3.656 3.892 -0.236 1
1 98 . 5 1 1 A 11 11 ARG CA C 350 60.092 59.164 0.928 1
1 99 . 5 1 1 A 11 11 ARG CB C 350 28.295 29.930 -1.635 1
1 102 . 5 1 1 A 11 11 ARG N N 350 117.178 119.908 -2.730 1
1 103 . 5 1 1 A 12 12 LYS H H 351 7.888 7.640 0.248 1
1 104 . 5 1 1 A 12 12 LYS HA H 351 4.198 4.221 -0.023 1
1 109 . 5 1 1 A 12 12 LYS CA C 351 59.631 59.358 0.273 1
1 110 . 5 1 1 A 12 12 LYS CB C 351 32.673 32.291 0.382 1
1 112 . 5 1 1 A 12 12 LYS N N 351 117.745 118.225 -0.480 1
1 113 . 5 1 1 A 13 13 LEU H H 352 7.696 7.763 -0.067 1
1 114 . 5 1 1 A 13 13 LEU HA H 352 4.259 4.052 0.207 1
1 124 . 5 1 1 A 13 13 LEU CA C 352 58.019 57.916 0.103 1
1 125 . 5 1 1 A 13 13 LEU CB C 352 42.120 41.703 0.417 1
1 129 . 5 1 1 A 13 13 LEU N N 352 119.444 120.041 -0.597 1
1 130 . 5 1 1 A 14 14 ILE H H 353 7.831 7.451 0.380 1
1 131 . 5 1 1 A 14 14 ILE HA H 353 3.648 3.777 -0.129 1
1 141 . 5 1 1 A 14 14 ILE CA C 353 65.392 64.276 1.116 1
1 142 . 5 1 1 A 14 14 ILE CB C 353 38.203 37.657 0.546 1
1 146 . 5 1 1 A 14 14 ILE N N 353 118.311 115.635 2.676 1
1 147 . 5 1 1 A 15 15 GLN H H 354 8.178 7.885 0.293 1
1 148 . 5 1 1 A 15 15 GLN HA H 354 3.791 3.860 -0.069 1
1 155 . 5 1 1 A 15 15 GLN CA C 354 59.631 59.078 0.553 1
1 156 . 5 1 1 A 15 15 GLN CB C 354 30.369 28.391 1.978 1
1 158 . 5 1 1 A 15 15 GLN N N 354 116.423 121.053 -4.630 1
1 160 . 5 1 1 A 16 16 GLN H H 355 8.192 8.153 0.039 1
1 161 . 5 1 1 A 16 16 GLN HA H 355 3.799 4.043 -0.244 1
1 168 . 5 1 1 A 16 16 GLN CA C 355 59.171 58.947 0.224 1
1 169 . 5 1 1 A 16 16 GLN CB C 355 28.986 28.453 0.533 1
1 171 . 5 1 1 A 16 16 GLN N N 355 117.178 118.988 -1.810 1
1 173 . 5 1 1 A 17 17 GLN H H 356 7.970 7.674 0.296 1
1 174 . 5 1 1 A 17 17 GLN HA H 356 3.136 4.009 -0.873 1
1 181 . 5 1 1 A 17 17 GLN CA C 356 60.323 58.636 1.687 1
1 182 . 5 1 1 A 17 17 GLN CB C 356 27.143 28.160 -1.017 1
1 184 . 5 1 1 A 17 17 GLN N N 356 118.311 119.626 -1.315 1
1 186 . 5 1 1 A 18 18 LEU H H 357 8.408 8.097 0.311 1
1 187 . 5 1 1 A 18 18 LEU HA H 357 3.863 3.969 -0.106 1
1 197 . 5 1 1 A 18 18 LEU CA C 357 58.710 58.294 0.416 1
1 198 . 5 1 1 A 18 18 LEU CB C 357 40.968 41.699 -0.731 1
1 202 . 5 1 1 A 18 18 LEU N N 357 117.934 121.007 -3.073 1
1 203 . 5 1 1 A 19 19 VAL H H 358 8.544 8.214 0.330 1
1 204 . 5 1 1 A 19 19 VAL HA H 358 3.479 3.407 0.072 1
1 212 . 5 1 1 A 19 19 VAL CA C 358 66.544 66.789 -0.245 1
1 213 . 5 1 1 A 19 19 VAL CB C 358 31.060 31.456 -0.396 1
1 216 . 5 1 1 A 19 19 VAL N N 358 116.423 119.037 -2.614 1
1 217 . 5 1 1 A 20 20 LEU H H 359 7.820 7.976 -0.156 1
1 218 . 5 1 1 A 20 20 LEU HA H 359 3.952 3.943 0.009 1
1 228 . 5 1 1 A 20 20 LEU CA C 359 58.019 58.025 -0.006 1
1 229 . 5 1 1 A 20 20 LEU CB C 359 42.696 41.247 1.449 1
1 233 . 5 1 1 A 20 20 LEU N N 359 120.955 120.290 0.665 1
1 234 . 5 1 1 A 21 21 LEU H H 360 8.278 7.945 0.333 1
1 235 . 5 1 1 A 21 21 LEU HA H 360 3.868 4.081 -0.213 1
1 245 . 5 1 1 A 21 21 LEU CA C 360 58.710 57.874 0.836 1
1 246 . 5 1 1 A 21 21 LEU CB C 360 42.811 41.615 1.196 1
1 250 . 5 1 1 A 21 21 LEU N N 360 121.144 119.536 1.608 1
1 251 . 5 1 1 A 22 22 LEU H H 361 8.331 8.165 0.166 1
1 252 . 5 1 1 A 22 22 LEU HA H 361 3.919 3.935 -0.016 1
1 262 . 5 1 1 A 22 22 LEU CA C 361 57.788 57.901 -0.113 1
1 263 . 5 1 1 A 22 22 LEU CB C 361 41.083 41.632 -0.549 1
1 267 . 5 1 1 A 22 22 LEU N N 361 118.500 117.687 0.813 1
1 268 . 5 1 1 A 23 23 HIS H H 362 8.620 8.226 0.394 1
1 269 . 5 1 1 A 23 23 HIS HA H 362 4.114 4.320 -0.206 1
1 274 . 5 1 1 A 23 23 HIS CA C 362 60.323 59.670 0.653 1
1 275 . 5 1 1 A 23 23 HIS CB C 362 27.834 30.028 -2.194 1
1 278 . 5 1 1 A 23 23 HIS N N 362 117.934 117.731 0.203 1
1 279 . 5 1 1 A 24 24 ALA H H 363 9.049 8.457 0.592 1
1 280 . 5 1 1 A 24 24 ALA HA H 363 3.954 3.979 -0.025 1
1 284 . 5 1 1 A 24 24 ALA CA C 363 55.253 55.135 0.118 1
1 285 . 5 1 1 A 24 24 ALA CB C 363 19.079 17.736 1.343 1
1 286 . 5 1 1 A 24 24 ALA N N 363 121.710 120.604 1.106 1
1 287 . 5 1 1 A 25 25 HIS H H 364 7.955 7.948 0.007 1
1 288 . 5 1 1 A 25 25 HIS HA H 364 4.130 4.199 -0.069 1
1 293 . 5 1 1 A 25 25 HIS CA C 364 60.092 59.583 0.509 1
1 294 . 5 1 1 A 25 25 HIS CB C 364 31.060 30.037 1.023 1
1 297 . 5 1 1 A 25 25 HIS N N 364 115.856 118.383 -2.527 1
1 298 . 5 1 1 A 26 26 LYS H H 365 7.053 8.267 -1.214 1
1 299 . 5 1 1 A 26 26 LYS HA H 365 4.014 3.896 0.118 1
1 302 . 5 1 1 A 26 26 LYS CA C 365 57.788 59.041 -1.253 1
1 303 . 5 1 1 A 26 26 LYS CB C 365 32.903 31.839 1.064 1
1 304 . 5 1 1 A 26 26 LYS N N 365 117.178 117.767 -0.589 1
1 305 . 5 1 1 A 27 27 CYS H H 366 8.592 7.971 0.621 1
1 306 . 5 1 1 A 27 27 CYS HA H 366 3.741 3.981 -0.240 1
1 309 . 5 1 1 A 27 27 CYS CA C 366 62.396 62.283 0.113 1
1 310 . 5 1 1 A 27 27 CYS CB C 366 29.678 26.846 2.832 1
1 311 . 5 1 1 A 27 27 CYS N N 366 123.976 118.386 5.590 1
1 312 . 5 1 1 A 28 28 GLN H H 367 8.349 8.391 -0.042 1
1 313 . 5 1 1 A 28 28 GLN HA H 367 4.283 3.944 0.339 1
1 320 . 5 1 1 A 28 28 GLN CA C 367 57.327 59.251 -1.924 1
1 321 . 5 1 1 A 28 28 GLN CB C 367 29.217 28.301 0.916 1
1 323 . 5 1 1 A 28 28 GLN N N 367 119.444 119.718 -0.274 1
1 325 . 5 1 1 A 29 29 ARG H H 368 7.635 7.487 0.148 1
1 326 . 5 1 1 A 29 29 ARG HA H 368 4.169 4.071 0.098 1
1 333 . 5 1 1 A 29 29 ARG CA C 368 57.558 59.523 -1.965 1
1 334 . 5 1 1 A 29 29 ARG CB C 368 29.908 29.915 -0.007 1
1 337 . 5 1 1 A 29 29 ARG N N 368 119.444 118.981 0.463 1
1 338 . 5 1 1 A 30 30 ARG H H 369 8.018 7.945 0.073 1
1 339 . 5 1 1 A 30 30 ARG HA H 369 4.260 4.059 0.201 1
1 346 . 5 1 1 A 30 30 ARG CA C 369 57.558 59.575 -2.017 1
1 347 . 5 1 1 A 30 30 ARG CB C 369 30.599 30.066 0.533 1
1 350 . 5 1 1 A 30 30 ARG N N 369 120.388 118.949 1.439 1
1 351 . 5 1 1 A 31 31 GLU H H 370 8.208 8.230 -0.022 1
1 352 . 5 1 1 A 31 31 GLU HA H 370 4.236 4.051 0.185 1
1 357 . 5 1 1 A 31 31 GLU CA C 370 57.788 59.456 -1.668 1
1 358 . 5 1 1 A 31 31 GLU CB C 370 30.369 29.136 1.233 1
1 360 . 5 1 1 A 31 31 GLU N N 370 120.388 119.649 0.739 1
1 361 . 5 1 1 A 32 32 GLN H H 371 8.165 8.274 -0.109 1
1 362 . 5 1 1 A 32 32 GLN HA H 371 4.313 4.038 0.275 1
1 367 . 5 1 1 A 32 32 GLN CA C 371 56.636 58.723 -2.087 1
1 368 . 5 1 1 A 32 32 GLN CB C 371 29.217 28.095 1.122 1
1 370 . 5 1 1 A 32 32 GLN N N 371 118.878 118.526 0.352 1
1 371 . 5 1 1 A 33 33 ALA H H 372 8.095 7.675 0.420 1
1 372 . 5 1 1 A 33 33 ALA HA H 372 4.327 4.176 0.151 1
1 376 . 5 1 1 A 33 33 ALA CA C 372 53.180 53.898 -0.718 1
1 377 . 5 1 1 A 33 33 ALA CB C 372 19.079 18.386 0.693 1
1 378 . 5 1 1 A 33 33 ALA N N 372 123.032 121.497 1.535 1
1 379 . 5 1 1 A 34 34 ASN H H 373 8.186 7.926 0.260 1
1 380 . 5 1 1 A 34 34 ASN HA H 373 4.735 4.992 -0.257 1
1 383 . 5 1 1 A 34 34 ASN CA C 373 53.410 54.783 -1.373 1
1 384 . 5 1 1 A 34 34 ASN CB C 373 38.894 41.346 -2.452 1
1 385 . 5 1 1 A 34 34 ASN N N 373 115.479 115.902 -0.423 1
1 386 . 5 1 1 A 35 35 GLY H H 374 8.266 8.385 -0.119 1
1 387 . 5 1 1 A 35 35 GLY HA2 H 374 3.943 3.994 -0.051 1
1 388 . 5 1 1 A 35 35 GLY HA3 H 374 4.044 3.994 0.050 1
1 389 . 5 1 1 A 35 35 GLY CA C 374 45.576 45.549 0.027 1
1 390 . 5 1 1 A 35 35 GLY N N 374 108.492 107.406 1.086 1
1 391 . 5 1 1 A 36 36 GLU H H 375 8.132 8.277 -0.145 1
1 392 . 5 1 1 A 36 36 GLU HA H 375 4.368 4.484 -0.116 1
1 397 . 5 1 1 A 36 36 GLU CA C 375 55.945 55.844 0.101 1
1 398 . 5 1 1 A 36 36 GLU CB C 375 30.369 31.458 -1.089 1
1 400 . 5 1 1 A 36 36 GLU N N 375 119.822 117.709 2.113 1
1 401 . 5 1 1 A 37 37 VAL H H 376 8.132 7.566 0.566 1
1 402 . 5 1 1 A 37 37 VAL HA H 376 4.139 4.346 -0.207 1
1 410 . 5 1 1 A 37 37 VAL CA C 376 62.166 60.090 2.076 1
1 411 . 5 1 1 A 37 37 VAL CB C 376 32.673 34.619 -1.946 1
1 414 . 5 1 1 A 37 37 VAL N N 376 121.144 117.678 3.466 1
1 415 . 5 1 1 A 38 38 ARG H H 377 8.455 8.247 0.208 1
1 416 . 5 1 1 A 38 38 ARG HA H 377 4.392 4.698 -0.306 1
1 423 . 5 1 1 A 38 38 ARG CA C 377 55.253 54.962 0.291 1
1 424 . 5 1 1 A 38 38 ARG CB C 377 31.060 31.508 -0.448 1
1 427 . 5 1 1 A 38 38 ARG N N 377 125.109 125.869 -0.760 1
1 428 . 5 1 1 A 39 39 ALA H H 378 8.384 7.883 0.501 1
1 429 . 5 1 1 A 39 39 ALA HA H 378 4.287 3.940 0.347 1
1 433 . 5 1 1 A 39 39 ALA CA C 378 52.028 53.263 -1.235 1
1 434 . 5 1 1 A 39 39 ALA CB C 378 19.540 17.255 2.285 1
1 435 . 5 1 1 A 39 39 ALA N N 378 126.053 119.965 6.088 1
1 436 . 5 1 1 A 40 40 CYS H H 379 8.480 7.457 1.023 1
1 437 . 5 1 1 A 40 40 CYS HA H 379 4.344 4.807 -0.463 1
1 440 . 5 1 1 A 40 40 CYS CA C 379 60.092 57.338 2.754 1
1 441 . 5 1 1 A 40 40 CYS CB C 379 30.138 30.743 -0.605 1
1 442 . 5 1 1 A 40 40 CYS N N 379 123.787 112.328 11.459 1
1 443 . 5 1 1 A 41 41 SER HA H 380 4.588 4.801 -0.213 1
1 446 . 5 1 1 A 41 41 SER CA C 380 57.788 57.563 0.225 1
1 447 . 5 1 1 A 41 41 SER CB C 380 63.779 64.252 -0.473 1
1 448 . 5 1 1 A 42 42 LEU H H 381 8.642 7.353 1.289 1
1 449 . 5 1 1 A 42 42 LEU HA H 381 4.488 4.201 0.287 1
1 459 . 5 1 1 A 42 42 LEU CA C 381 53.871 53.654 0.217 1
1 460 . 5 1 1 A 42 42 LEU CB C 381 41.659 42.347 -0.688 1
1 464 . 5 1 1 A 42 42 LEU N N 381 129.074 123.941 5.133 1
1 465 . 5 1 1 A 43 43 PRO HA H 382 4.095 4.127 -0.032 1
1 472 . 5 1 1 A 43 43 PRO CA C 382 64.470 64.645 -0.175 1
1 473 . 5 1 1 A 43 43 PRO CB C 382 31.751 31.530 0.221 1
1 476 . 5 1 1 A 44 44 HIS H H 383 8.014 8.044 -0.030 1
1 477 . 5 1 1 A 44 44 HIS HA H 383 4.527 4.959 -0.432 1
1 482 . 5 1 1 A 44 44 HIS CA C 383 58.249 55.096 3.153 1
1 483 . 5 1 1 A 44 44 HIS CB C 383 30.369 30.113 0.256 1
1 486 . 5 1 1 A 44 44 HIS N N 383 110.569 113.549 -2.980 1
1 487 . 5 1 1 A 45 45 CYS H H 384 7.729 7.727 0.002 1
1 488 . 5 1 1 A 45 45 CYS HA H 384 4.023 3.926 0.097 1
1 491 . 5 1 1 A 45 45 CYS CA C 384 64.470 62.586 1.884 1
1 492 . 5 1 1 A 45 45 CYS CB C 384 28.756 26.478 2.278 1
1 493 . 5 1 1 A 45 45 CYS N N 384 124.165 120.695 3.470 1
1 494 . 5 1 1 A 46 46 ARG H H 385 8.239 8.071 0.168 1
1 495 . 5 1 1 A 46 46 ARG HA H 385 3.978 4.118 -0.140 1
1 502 . 5 1 1 A 46 46 ARG CA C 385 59.401 58.896 0.505 1
1 503 . 5 1 1 A 46 46 ARG CB C 385 28.986 29.720 -0.734 1
1 506 . 5 1 1 A 46 46 ARG N N 385 116.612 119.541 -2.929 1
1 507 . 5 1 1 A 47 47 THR H H 386 7.496 8.225 -0.729 1
1 508 . 5 1 1 A 47 47 THR HA H 386 4.008 3.912 0.096 1
1 513 . 5 1 1 A 47 47 THR CA C 386 65.853 67.022 -1.169 1
1 514 . 5 1 1 A 47 47 THR CB C 386 68.387 68.201 0.186 1
1 516 . 5 1 1 A 47 47 THR N N 386 114.346 116.494 -2.148 1
1 517 . 5 1 1 A 48 48 MET H H 387 8.216 8.017 0.199 1
1 518 . 5 1 1 A 48 48 MET HA H 387 4.622 4.052 0.570 1
1 526 . 5 1 1 A 48 48 MET CA C 387 56.636 59.122 -2.486 1
1 527 . 5 1 1 A 48 48 MET CB C 387 31.291 32.950 -1.659 1
1 530 . 5 1 1 A 48 48 MET N N 387 119.444 118.301 1.143 1
1 531 . 5 1 1 A 49 49 LYS H H 388 9.306 8.027 1.279 1
1 532 . 5 1 1 A 49 49 LYS HA H 388 3.923 4.050 -0.127 1
1 541 . 5 1 1 A 49 49 LYS CA C 388 61.244 60.228 1.016 1
1 542 . 5 1 1 A 49 49 LYS CB C 388 32.903 32.454 0.449 1
1 546 . 5 1 1 A 49 49 LYS N N 388 122.276 118.360 3.916 1
1 547 . 5 1 1 A 50 50 ASN H H 389 8.069 8.005 0.064 1
1 548 . 5 1 1 A 50 50 ASN HA H 389 4.629 4.603 0.026 1
1 553 . 5 1 1 A 50 50 ASN CA C 389 56.175 56.206 -0.031 1
1 554 . 5 1 1 A 50 50 ASN CB C 389 37.512 38.708 -1.196 1
1 555 . 5 1 1 A 50 50 ASN N N 389 117.178 118.014 -0.836 1
1 557 . 5 1 1 A 51 51 VAL H H 390 8.116 7.894 0.222 1
1 558 . 5 1 1 A 51 51 VAL HA H 390 3.803 3.672 0.131 1
1 566 . 5 1 1 A 51 51 VAL CA C 390 67.235 66.629 0.606 1
1 567 . 5 1 1 A 51 51 VAL CB C 390 31.751 31.532 0.219 1
1 570 . 5 1 1 A 51 51 VAL N N 390 123.598 119.991 3.607 1
1 571 . 5 1 1 A 52 52 LEU H H 391 8.735 8.572 0.163 1
1 572 . 5 1 1 A 52 52 LEU HA H 391 4.123 4.008 0.115 1
1 582 . 5 1 1 A 52 52 LEU CA C 391 58.479 58.335 0.144 1
1 583 . 5 1 1 A 52 52 LEU CB C 391 41.659 41.517 0.142 1
1 587 . 5 1 1 A 52 52 LEU N N 391 120.955 119.833 1.122 1
1 588 . 5 1 1 A 53 53 ASN H H 392 8.231 8.517 -0.286 1
1 589 . 5 1 1 A 53 53 ASN HA H 392 4.561 4.437 0.124 1
1 594 . 5 1 1 A 53 53 ASN CA C 392 56.175 56.504 -0.329 1
1 595 . 5 1 1 A 53 53 ASN CB C 392 38.433 39.184 -0.751 1
1 596 . 5 1 1 A 53 53 ASN N N 392 116.801 117.411 -0.610 1
1 598 . 5 1 1 A 54 54 HIS H H 393 8.049 8.256 -0.207 1
1 599 . 5 1 1 A 54 54 HIS HA H 393 4.418 4.306 0.112 1
1 604 . 5 1 1 A 54 54 HIS CA C 393 59.401 60.157 -0.756 1
1 605 . 5 1 1 A 54 54 HIS CB C 393 27.604 30.183 -2.579 1
1 608 . 5 1 1 A 54 54 HIS N N 393 120.011 119.619 0.392 1
1 609 . 5 1 1 A 55 55 MET H H 394 9.118 8.627 0.491 1
1 610 . 5 1 1 A 55 55 MET HA H 394 3.704 4.027 -0.323 1
1 618 . 5 1 1 A 55 55 MET CA C 394 59.401 58.097 1.304 1
1 619 . 5 1 1 A 55 55 MET CB C 394 34.286 32.290 1.996 1
1 622 . 5 1 1 A 55 55 MET N N 394 119.066 116.814 2.252 1
1 623 . 5 1 1 A 56 56 THR H H 395 7.521 7.660 -0.139 1
1 624 . 5 1 1 A 56 56 THR HA H 395 3.915 4.136 -0.221 1
1 629 . 5 1 1 A 56 56 THR CA C 395 65.392 64.165 1.227 1
1 630 . 5 1 1 A 56 56 THR CB C 395 69.309 68.174 1.135 1
1 632 . 5 1 1 A 56 56 THR N N 395 110.758 115.285 -4.527 1
1 633 . 5 1 1 A 57 57 HIS H H 396 7.023 7.851 -0.828 1
1 634 . 5 1 1 A 57 57 HIS HA H 396 4.846 4.729 0.117 1
1 639 . 5 1 1 A 57 57 HIS CA C 396 55.023 56.096 -1.073 1
1 640 . 5 1 1 A 57 57 HIS CB C 396 30.830 31.438 -0.608 1
1 643 . 5 1 1 A 57 57 HIS N N 396 115.668 115.803 -0.135 1
1 644 . 5 1 1 A 58 58 CYS H H 397 7.134 7.475 -0.341 1
1 645 . 5 1 1 A 58 58 CYS HA H 397 4.048 4.189 -0.141 1
1 648 . 5 1 1 A 58 58 CYS CA C 397 60.784 60.212 0.572 1
1 649 . 5 1 1 A 58 58 CYS CB C 397 29.678 27.876 1.802 1
1 650 . 5 1 1 A 58 58 CYS N N 397 123.598 118.756 4.842 1
1 651 . 5 1 1 A 59 59 GLN HA H 398 4.710 4.723 -0.013 1
1 656 . 5 1 1 A 59 59 GLN CA C 398 55.023 55.561 -0.538 1
1 657 . 5 1 1 A 59 59 GLN CB C 398 29.678 29.882 -0.204 1
1 659 . 5 1 1 A 60 60 ALA H H 399 8.689 7.411 1.278 1
1 660 . 5 1 1 A 60 60 ALA HA H 399 4.414 4.288 0.126 1
1 664 . 5 1 1 A 60 60 ALA CA C 399 52.949 52.038 0.911 1
1 665 . 5 1 1 A 60 60 ALA CB C 399 20.001 19.463 0.538 1
1 666 . 5 1 1 A 60 60 ALA N N 399 124.731 122.487 2.244 1
1 667 . 5 1 1 A 61 61 GLY H H 400 8.166 8.411 -0.245 1
1 668 . 5 1 1 A 61 61 GLY HA2 H 400 3.621 3.912 -0.291 1
1 669 . 5 1 1 A 61 61 GLY HA3 H 400 3.976 3.917 0.059 1
1 670 . 5 1 1 A 61 61 GLY CA C 400 46.267 46.856 -0.589 1
1 671 . 5 1 1 A 61 61 GLY N N 400 107.926 107.922 0.004 1
1 672 . 5 1 1 A 62 62 LYS HA H 401 4.138 4.222 -0.084 1
1 673 . 5 1 1 A 62 62 LYS CA C 401 58.479 58.227 0.252 1
1 674 . 5 1 1 A 63 63 ALA H H 402 7.671 7.260 0.411 1
1 675 . 5 1 1 A 63 63 ALA HA H 402 4.448 4.438 0.010 1
1 679 . 5 1 1 A 63 63 ALA CA C 402 51.336 51.540 -0.204 1
1 680 . 5 1 1 A 63 63 ALA CB C 402 19.079 19.543 -0.464 1
1 681 . 5 1 1 A 63 63 ALA N N 402 119.444 120.960 -1.516 1
1 682 . 5 1 1 A 64 64 CYS H H 403 7.497 7.271 0.226 1
1 683 . 5 1 1 A 64 64 CYS HA H 403 3.857 4.343 -0.486 1
1 686 . 5 1 1 A 64 64 CYS CA C 403 62.396 59.844 2.552 1
1 687 . 5 1 1 A 64 64 CYS CB C 403 29.908 29.020 0.888 1
1 688 . 5 1 1 A 64 64 CYS N N 403 121.899 118.338 3.561 1
1 689 . 5 1 1 A 65 65 GLN H H 404 9.025 8.877 0.148 1
1 690 . 5 1 1 A 65 65 GLN HA H 404 4.463 4.321 0.142 1
1 697 . 5 1 1 A 65 65 GLN CA C 404 55.673 57.645 -1.972 1
1 698 . 5 1 1 A 65 65 GLN CB C 404 29.332 28.969 0.363 1
1 700 . 5 1 1 A 65 65 GLN N N 404 128.885 124.591 4.294 1
1 702 . 5 1 1 A 66 66 VAL H H 405 9.337 7.248 2.089 1
1 703 . 5 1 1 A 66 66 VAL HA H 405 3.631 4.140 -0.509 1
1 711 . 5 1 1 A 66 66 VAL CA C 405 64.240 62.898 1.342 1
1 712 . 5 1 1 A 66 66 VAL CB C 405 30.830 30.915 -0.085 1
1 715 . 5 1 1 A 66 66 VAL N N 405 127.752 120.381 7.371 1
1 716 . 5 1 1 A 67 67 ALA H H 406 8.581 8.720 -0.139 1
1 717 . 5 1 1 A 67 67 ALA HA H 406 3.761 3.909 -0.148 1
1 721 . 5 1 1 A 67 67 ALA CA C 406 54.101 55.274 -1.173 1
1 722 . 5 1 1 A 67 67 ALA CB C 406 17.467 18.272 -0.805 1
1 723 . 5 1 1 A 67 67 ALA N N 406 133.983 130.615 3.368 1
1 724 . 5 1 1 A 68 68 HIS H H 407 8.099 7.639 0.460 1
1 725 . 5 1 1 A 68 68 HIS HA H 407 4.407 4.577 -0.170 1
1 730 . 5 1 1 A 68 68 HIS CA C 407 57.327 58.186 -0.859 1
1 731 . 5 1 1 A 68 68 HIS CB C 407 29.447 30.027 -0.580 1
1 734 . 5 1 1 A 68 68 HIS N N 407 110.569 114.150 -3.581 1
1 735 . 5 1 1 A 69 69 CYS H H 408 8.086 7.805 0.281 1
1 736 . 5 1 1 A 69 69 CYS HA H 408 4.163 4.208 -0.045 1
1 739 . 5 1 1 A 69 69 CYS CA C 408 64.240 62.134 2.106 1
1 740 . 5 1 1 A 69 69 CYS CB C 408 29.908 27.826 2.082 1
1 741 . 5 1 1 A 69 69 CYS N N 408 126.619 118.889 7.730 1
1 742 . 5 1 1 A 70 70 ALA H H 409 8.728 7.659 1.069 1
1 743 . 5 1 1 A 70 70 ALA HA H 409 4.333 4.084 0.249 1
1 747 . 5 1 1 A 70 70 ALA CA C 409 55.253 55.411 -0.158 1
1 748 . 5 1 1 A 70 70 ALA CB C 409 17.697 18.099 -0.402 1
1 749 . 5 1 1 A 70 70 ALA N N 409 118.689 123.109 -4.420 1
1 750 . 5 1 1 A 71 71 SER H H 410 9.179 8.282 0.897 1
1 751 . 5 1 1 A 71 71 SER HA H 410 4.138 4.201 -0.063 1
1 754 . 5 1 1 A 71 71 SER CA C 410 60.323 61.689 -1.366 1
1 755 . 5 1 1 A 71 71 SER CB C 410 61.244 62.604 -1.360 1
1 756 . 5 1 1 A 71 71 SER N N 410 114.535 113.184 1.351 1
1 757 . 5 1 1 A 72 72 SER H H 411 7.937 8.083 -0.146 1
1 758 . 5 1 1 A 72 72 SER HA H 411 4.048 4.136 -0.088 1
1 762 . 5 1 1 A 72 72 SER CA C 411 64.240 61.881 2.359 1
1 763 . 5 1 1 A 72 72 SER CB C 411 62.396 62.866 -0.470 1
1 764 . 5 1 1 A 72 72 SER N N 411 120.766 117.090 3.676 1
1 765 . 5 1 1 A 73 73 ARG H H 412 8.835 8.306 0.529 1
1 766 . 5 1 1 A 73 73 ARG HA H 412 3.855 3.965 -0.110 1
1 773 . 5 1 1 A 73 73 ARG CA C 412 60.323 59.452 0.871 1
1 774 . 5 1 1 A 73 73 ARG CB C 412 30.369 29.820 0.549 1
1 777 . 5 1 1 A 73 73 ARG N N 412 122.276 121.486 0.790 1
1 778 . 5 1 1 A 74 74 GLN H H 413 7.873 7.513 0.360 1
1 779 . 5 1 1 A 74 74 GLN HA H 413 4.182 4.241 -0.059 1
1 786 . 5 1 1 A 74 74 GLN CA C 413 58.710 58.250 0.460 1
1 787 . 5 1 1 A 74 74 GLN CB C 413 29.447 28.881 0.566 1
1 789 . 5 1 1 A 74 74 GLN N N 413 118.689 118.576 0.113 1
1 791 . 5 1 1 A 75 75 ILE H H 414 8.754 8.472 0.282 1
1 792 . 5 1 1 A 75 75 ILE HA H 414 3.617 3.992 -0.375 1
1 802 . 5 1 1 A 75 75 ILE CA C 414 66.544 64.650 1.894 1
1 803 . 5 1 1 A 75 75 ILE CB C 414 38.664 37.646 1.018 1
1 807 . 5 1 1 A 75 75 ILE N N 414 121.710 120.210 1.500 1
1 808 . 5 1 1 A 76 76 ILE H H 415 8.856 8.279 0.577 1
1 809 . 5 1 1 A 76 76 ILE HA H 415 3.863 3.657 0.206 1
1 819 . 5 1 1 A 76 76 ILE CA C 415 64.701 65.403 -0.702 1
1 820 . 5 1 1 A 76 76 ILE CB C 415 37.051 37.557 -0.506 1
1 824 . 5 1 1 A 76 76 ILE N N 415 120.199 122.918 -2.719 1
1 825 . 5 1 1 A 77 77 SER H H 416 7.981 8.073 -0.092 1
1 826 . 5 1 1 A 77 77 SER HA H 416 4.153 4.108 0.045 1
1 829 . 5 1 1 A 77 77 SER CA C 416 62.166 62.532 -0.366 1
1 830 . 5 1 1 A 77 77 SER CB C 416 62.627 63.273 -0.646 1
1 831 . 5 1 1 A 77 77 SER N N 416 114.346 116.413 -2.067 1
1 832 . 5 1 1 A 78 78 HIS H H 417 8.126 7.346 0.780 1
1 833 . 5 1 1 A 78 78 HIS HA H 417 4.154 4.458 -0.304 1
1 838 . 5 1 1 A 78 78 HIS CA C 417 60.553 59.552 1.001 1
1 839 . 5 1 1 A 78 78 HIS CB C 417 28.065 30.329 -2.264 1
1 842 . 5 1 1 A 78 78 HIS N N 417 118.878 120.853 -1.975 1
1 843 . 5 1 1 A 79 79 TRP H H 418 8.417 7.861 0.556 1
1 844 . 5 1 1 A 79 79 TRP HA H 418 4.451 4.224 0.227 1
1 853 . 5 1 1 A 79 79 TRP CA C 418 59.862 60.380 -0.518 1
1 854 . 5 1 1 A 79 79 TRP CB C 418 30.369 29.754 0.615 1
1 860 . 5 1 1 A 79 79 TRP N N 418 119.255 121.372 -2.117 1
1 862 . 5 1 1 A 80 80 LYS H H 419 8.412 7.989 0.423 1
1 863 . 5 1 1 A 80 80 LYS HA H 419 3.714 3.913 -0.199 1
1 872 . 5 1 1 A 80 80 LYS CA C 419 58.710 58.078 0.632 1
1 873 . 5 1 1 A 80 80 LYS CB C 419 32.673 32.065 0.608 1
1 877 . 5 1 1 A 80 80 LYS N N 419 115.101 118.195 -3.094 1
1 878 . 5 1 1 A 81 81 ASN H H 420 7.416 7.803 -0.387 1
1 879 . 5 1 1 A 81 81 ASN HA H 420 4.713 4.737 -0.024 1
1 884 . 5 1 1 A 81 81 ASN CA C 420 53.410 53.946 -0.536 1
1 885 . 5 1 1 A 81 81 ASN CB C 420 40.737 41.359 -0.622 1
1 886 . 5 1 1 A 81 81 ASN N N 420 113.968 114.766 -0.798 1
1 888 . 5 1 1 A 82 82 CYS H H 421 7.617 7.531 0.086 1
1 889 . 5 1 1 A 82 82 CYS HA H 421 3.986 4.292 -0.306 1
1 892 . 5 1 1 A 82 82 CYS CA C 421 61.244 60.085 1.159 1
1 893 . 5 1 1 A 82 82 CYS CB C 421 28.756 27.890 0.866 1
1 894 . 5 1 1 A 82 82 CYS N N 421 124.354 118.174 6.180 1
1 895 . 5 1 1 A 83 83 THR H H 422 8.535 8.614 -0.079 1
1 896 . 5 1 1 A 83 83 THR HA H 422 4.527 4.653 -0.126 1
1 901 . 5 1 1 A 83 83 THR CA C 422 60.553 61.153 -0.600 1
1 902 . 5 1 1 A 83 83 THR CB C 422 69.309 70.609 -1.300 1
1 904 . 5 1 1 A 83 83 THR N N 422 118.500 116.744 1.756 1
1 905 . 5 1 1 A 84 84 ARG HA H 423 4.448 4.247 0.201 1
1 912 . 5 1 1 A 84 84 ARG CA C 423 56.175 56.569 -0.394 1
1 913 . 5 1 1 A 84 84 ARG CB C 423 31.521 31.326 0.195 1
1 916 . 5 1 1 A 85 85 HIS HA H 424 4.391 4.154 0.237 1
1 921 . 5 1 1 A 85 85 HIS CA C 424 58.479 59.115 -0.636 1
1 922 . 5 1 1 A 85 85 HIS CB C 424 30.138 30.209 -0.071 1
1 925 . 5 1 1 A 86 86 ASP H H 425 7.962 8.415 -0.453 1
1 926 . 5 1 1 A 86 86 ASP HA H 425 4.525 4.425 0.100 1
1 929 . 5 1 1 A 86 86 ASP CA C 425 51.567 53.193 -1.626 1
1 930 . 5 1 1 A 86 86 ASP CB C 425 39.585 39.977 -0.392 1
1 931 . 5 1 1 A 86 86 ASP N N 425 116.612 114.757 1.855 1
1 932 . 5 1 1 A 87 87 CYS H H 426 6.974 7.049 -0.075 1
1 933 . 5 1 1 A 87 87 CYS HA H 426 4.247 4.481 -0.234 1
1 936 . 5 1 1 A 87 87 CYS CA C 426 57.558 57.812 -0.254 1
1 937 . 5 1 1 A 87 87 CYS CB C 426 31.291 28.817 2.474 1
1 938 . 5 1 1 A 87 87 CYS N N 426 122.276 120.913 1.363 1
1 939 . 5 1 1 A 88 88 PRO HA H 427 4.445 4.303 0.142 1
1 944 . 5 1 1 A 88 88 PRO CA C 427 64.009 65.448 -1.439 1
1 945 . 5 1 1 A 88 88 PRO CB C 427 32.558 31.857 0.701 1
1 947 . 5 1 1 A 89 89 VAL H H 428 8.460 7.336 1.124 1
1 948 . 5 1 1 A 89 89 VAL HA H 428 3.719 3.765 -0.046 1
1 956 . 5 1 1 A 89 89 VAL CA C 428 65.622 65.569 0.053 1
1 957 . 5 1 1 A 89 89 VAL CB C 428 33.134 31.548 1.586 1
1 960 . 5 1 1 A 89 89 VAL N N 428 119.822 115.785 4.037 1
1 961 . 5 1 1 A 90 90 CYS H H 429 8.729 7.778 0.951 1
1 962 . 5 1 1 A 90 90 CYS HA H 429 4.225 4.242 -0.017 1
1 965 . 5 1 1 A 90 90 CYS CA C 429 63.779 63.281 0.498 1
1 966 . 5 1 1 A 90 90 CYS CB C 429 31.291 26.993 4.298 1
1 967 . 5 1 1 A 90 90 CYS N N 429 118.878 117.725 1.153 1
1 968 . 5 1 1 A 91 91 LEU H H 430 7.907 8.081 -0.174 1
1 969 . 5 1 1 A 91 91 LEU HA H 430 4.214 3.987 0.227 1
1 979 . 5 1 1 A 91 91 LEU CA C 430 60.323 60.174 0.149 1
1 980 . 5 1 1 A 91 91 LEU CB C 430 39.125 39.972 -0.847 1
1 984 . 5 1 1 A 91 91 LEU N N 430 118.878 123.148 -4.270 1
1 985 . 5 1 1 A 92 92 PRO HA H 431 4.460 4.334 0.126 1
1 992 . 5 1 1 A 92 92 PRO CA C 431 65.161 65.927 -0.766 1
1 993 . 5 1 1 A 92 92 PRO CB C 431 31.291 30.724 0.567 1
1 996 . 5 1 1 A 93 93 LEU H H 432 7.459 7.345 0.114 1
1 997 . 5 1 1 A 93 93 LEU HA H 432 4.359 3.861 0.498 1
1 1007 . 5 1 1 A 93 93 LEU CA C 432 55.945 57.440 -1.495 1
1 1008 . 5 1 1 A 93 93 LEU CB C 432 42.350 40.903 1.447 1
1 1012 . 5 1 1 A 93 93 LEU N N 432 115.290 116.250 -0.960 1
1 1013 . 5 1 1 A 94 94 LYS H H 433 7.975 8.603 -0.628 1
1 1014 . 5 1 1 A 94 94 LYS HA H 433 4.390 4.169 0.221 1
1 1022 . 5 1 1 A 94 94 LYS CA C 433 57.558 60.305 -2.747 1
1 1023 . 5 1 1 A 94 94 LYS CB C 433 33.134 32.229 0.905 1
1 1027 . 5 1 1 A 94 94 LYS N N 433 119.255 118.118 1.137 1
1 1028 . 5 1 1 A 95 95 ASN H H 434 8.368 8.279 0.089 1
1 1029 . 5 1 1 A 95 95 ASN HA H 434 4.733 4.552 0.181 1
1 1034 . 5 1 1 A 95 95 ASN CA C 434 53.410 55.946 -2.536 1
1 1035 . 5 1 1 A 95 95 ASN CB C 434 38.894 38.133 0.761 1
1 1036 . 5 1 1 A 95 95 ASN N N 434 117.934 118.058 -0.124 1
1 1038 . 5 1 1 A 96 96 ALA H H 435 8.040 8.444 -0.404 1
1 1039 . 5 1 1 A 96 96 ALA HA H 435 4.376 4.158 0.218 1
1 1043 . 5 1 1 A 96 96 ALA CA C 435 52.949 54.163 -1.214 1
1 1044 . 5 1 1 A 96 96 ALA CB C 435 19.310 18.546 0.764 1
1 1045 . 5 1 1 A 96 96 ALA N N 435 123.221 121.948 1.273 1
1 1046 . 5 1 1 A 97 97 SER H H 436 8.138 7.681 0.457 1
1 1047 . 5 1 1 A 97 97 SER HA H 436 4.450 4.665 -0.215 1
1 1050 . 5 1 1 A 97 97 SER CA C 436 58.710 57.373 1.337 1
1 1051 . 5 1 1 A 97 97 SER CB C 436 63.779 64.379 -0.600 1
1 1052 . 5 1 1 A 97 97 SER N N 436 113.591 109.245 4.346 1
1 1053 . 5 1 1 A 98 98 ASP H H 437 8.214 8.030 0.184 1
1 1054 . 5 1 1 A 98 98 ASP HA H 437 4.662 5.026 -0.364 1
1 1057 . 5 1 1 A 98 98 ASP CA C 437 54.332 54.953 -0.621 1
1 1058 . 5 1 1 A 98 98 ASP CB C 437 41.198 44.358 -3.160 1
1 1059 . 5 1 1 A 98 98 ASP N N 437 121.521 120.778 0.743 1
1 1060 . 5 1 1 A 99 99 LYS H H 438 8.062 8.654 -0.592 1
1 1061 . 5 1 1 A 99 99 LYS HA H 438 4.363 4.506 -0.143 1
1 1070 . 5 1 1 A 99 99 LYS CA C 438 55.945 56.477 -0.532 1
1 1071 . 5 1 1 A 99 99 LYS CB C 438 32.720 35.229 -2.509 1
1 1075 . 5 1 1 A 99 99 LYS N N 438 121.144 116.198 4.946 1
1 1092 . 5 2 2 B 2 2 SER HA H 783 4.524 4.355 0.169 1
1 1095 . 5 2 2 B 2 2 SER CA C 783 58.053 60.321 -2.268 1
1 1096 . 5 2 2 B 2 2 SER CB C 783 64.502 63.606 0.896 1
1 1097 . 5 2 2 B 3 3 HIS HA H 784 4.721 4.986 -0.265 1
1 1102 . 5 2 2 B 3 3 HIS CA C 784 55.750 53.980 1.770 1
1 1103 . 5 2 2 B 3 3 HIS CB C 784 30.167 31.649 -1.482 1
1 1106 . 5 2 2 B 4 4 MET HA H 785 4.495 4.515 -0.020 1
1 1114 . 5 2 2 B 4 4 MET CA C 785 55.058 55.442 -0.384 1
1 1115 . 5 2 2 B 4 4 MET CB C 785 32.727 32.649 0.078 1
1 1118 . 5 2 2 B 5 5 VAL H H 786 8.163 8.694 -0.531 1
1 1119 . 5 2 2 B 5 5 VAL HA H 786 4.464 4.820 -0.356 1
1 1127 . 5 2 2 B 5 5 VAL CA C 786 59.478 57.903 1.575 1
1 1128 . 5 2 2 B 5 5 VAL CB C 786 32.606 34.517 -1.911 1
1 1131 . 5 2 2 B 5 5 VAL N N 786 122.854 116.989 5.865 1
1 1132 . 5 2 2 B 6 6 PRO HA H 787 4.437 4.586 -0.149 1
1 1137 . 5 2 2 B 6 6 PRO CA C 787 62.667 62.230 0.437 1
1 1138 . 5 2 2 B 6 6 PRO CB C 787 32.010 32.743 -0.733 1
1 1140 . 5 2 2 B 7 7 GLU H H 788 8.306 8.469 -0.163 1
1 1141 . 5 2 2 B 7 7 GLU HA H 788 4.654 4.276 0.378 1
1 1146 . 5 2 2 B 7 7 GLU CA C 788 53.568 54.736 -1.168 1
1 1147 . 5 2 2 B 7 7 GLU CB C 788 30.011 30.738 -0.727 1
1 1149 . 5 2 2 B 7 7 GLU N N 788 123.231 121.398 1.833 1
1 1150 . 5 2 2 B 8 8 PRO HA H 789 4.490 4.538 -0.048 1
1 1157 . 5 2 2 B 8 8 PRO CA C 789 62.253 62.810 -0.557 1
1 1158 . 5 2 2 B 8 8 PRO CB C 789 32.483 32.106 0.377 1
1 1161 . 5 2 2 B 9 9 ASP H H 790 8.272 8.518 -0.246 1
1 1162 . 5 2 2 B 9 9 ASP HA H 790 4.456 4.534 -0.078 1
1 1165 . 5 2 2 B 9 9 ASP CA C 790 54.137 54.193 -0.056 1
1 1166 . 5 2 2 B 9 9 ASP CB C 790 41.016 40.717 0.299 1
1 1167 . 5 2 2 B 9 9 ASP N N 790 118.511 120.140 -1.629 1
1 1168 . 5 2 2 B 10 10 LEU H H 791 8.463 8.207 0.256 1
1 1169 . 5 2 2 B 10 10 LEU HA H 791 4.356 4.328 0.028 1
1 1179 . 5 2 2 B 10 10 LEU CA C 791 52.531 53.280 -0.749 1
1 1180 . 5 2 2 B 10 10 LEU CB C 791 42.609 42.844 -0.235 1
1 1184 . 5 2 2 B 10 10 LEU N N 791 121.343 126.485 -5.142 1
1 1185 . 5 2 2 B 11 11 PRO HA H 792 4.553 4.554 -0.001 1
1 1192 . 5 2 2 B 11 11 PRO CA C 792 62.788 63.152 -0.364 1
1 1193 . 5 2 2 B 11 11 PRO CB C 792 32.716 32.168 0.548 1
1 1196 . 5 2 2 B 12 12 HIS HA H 793 3.989 4.056 -0.067 1
1 1201 . 5 2 2 B 12 12 HIS CA C 793 60.326 59.578 0.748 1
1 1202 . 5 2 2 B 12 12 HIS CB C 793 30.803 29.675 1.128 1
1 1205 . 5 2 2 B 13 13 ASP H H 794 8.938 8.926 0.012 1
1 1206 . 5 2 2 B 13 13 ASP HA H 794 4.460 4.463 -0.003 1
1 1209 . 5 2 2 B 13 13 ASP CA C 794 54.581 56.807 -2.226 1
1 1210 . 5 2 2 B 13 13 ASP CB C 794 38.061 39.525 -1.464 1
1 1211 . 5 2 2 B 13 13 ASP N N 794 114.734 118.841 -4.107 1
1 1212 . 5 2 2 B 14 14 LEU H H 795 7.674 7.608 0.066 1
1 1213 . 5 2 2 B 14 14 LEU HA H 795 4.546 4.278 0.268 1
1 1223 . 5 2 2 B 14 14 LEU CA C 795 53.478 55.843 -2.365 1
1 1224 . 5 2 2 B 14 14 LEU CB C 795 43.597 42.240 1.357 1
1 1228 . 5 2 2 B 14 14 LEU N N 795 116.056 119.742 -3.686 1
1 1229 . 5 2 2 B 15 15 ARG H H 796 7.225 7.921 -0.696 1
1 1230 . 5 2 2 B 15 15 ARG HA H 796 3.809 3.813 -0.004 1
1 1237 . 5 2 2 B 15 15 ARG CA C 796 58.744 59.697 -0.953 1
1 1238 . 5 2 2 B 15 15 ARG CB C 796 30.413 29.681 0.732 1
1 1241 . 5 2 2 B 15 15 ARG N N 796 116.434 119.585 -3.151 1
1 1242 . 5 2 2 B 16 16 HIS HA H 797 4.703 4.386 0.317 1
1 1247 . 5 2 2 B 16 16 HIS CA C 797 55.289 59.028 -3.739 1
1 1248 . 5 2 2 B 16 16 HIS CB C 797 29.538 29.970 -0.432 1
1 1251 . 5 2 2 B 17 17 LEU H H 798 6.982 7.367 -0.385 1
1 1252 . 5 2 2 B 17 17 LEU HA H 798 4.071 4.104 -0.033 1
1 1262 . 5 2 2 B 17 17 LEU CA C 798 54.807 55.421 -0.614 1
1 1263 . 5 2 2 B 17 17 LEU CB C 798 42.206 42.138 0.068 1
1 1267 . 5 2 2 B 17 17 LEU N N 798 120.399 120.223 0.176 1
1 1268 . 5 2 2 B 18 18 ASN H H 799 8.789 8.618 0.171 1
1 1269 . 5 2 2 B 18 18 ASN HA H 799 4.857 4.866 -0.009 1
1 1274 . 5 2 2 B 18 18 ASN CA C 799 52.166 52.691 -0.525 1
1 1275 . 5 2 2 B 18 18 ASN CB C 799 37.842 38.589 -0.747 1
1 1276 . 5 2 2 B 18 18 ASN N N 799 121.343 123.116 -1.773 1
1 1278 . 5 2 2 B 19 19 THR H H 800 8.585 8.574 0.011 1
1 1279 . 5 2 2 B 19 19 THR HA H 800 4.522 4.356 0.166 1
1 1284 . 5 2 2 B 19 19 THR CA C 800 62.143 63.861 -1.718 1
1 1285 . 5 2 2 B 19 19 THR CB C 800 68.865 68.935 -0.070 1
1 1287 . 5 2 2 B 19 19 THR N N 800 115.301 118.415 -3.114 1
1 1288 . 5 2 2 B 20 20 GLU H H 801 8.415 7.907 0.508 1
1 1289 . 5 2 2 B 20 20 GLU HA H 801 4.337 4.116 0.221 1
1 1294 . 5 2 2 B 20 20 GLU CA C 801 61.496 61.368 0.128 1
1 1295 . 5 2 2 B 20 20 GLU CB C 801 26.493 27.341 -0.848 1
1 1297 . 5 2 2 B 20 20 GLU N N 801 125.119 122.058 3.061 1
1 1298 . 5 2 2 B 21 21 PRO HA H 802 4.422 4.320 0.102 1
1 1305 . 5 2 2 B 21 21 PRO CA C 802 64.520 65.078 -0.558 1
1 1306 . 5 2 2 B 21 21 PRO CB C 802 31.355 30.942 0.413 1
1 1309 . 5 2 2 B 22 22 MET H H 803 7.303 7.644 -0.341 1
1 1310 . 5 2 2 B 22 22 MET HA H 803 4.062 4.090 -0.028 1
1 1318 . 5 2 2 B 22 22 MET CA C 803 55.686 57.672 -1.986 1
1 1319 . 5 2 2 B 22 22 MET CB C 803 33.481 31.919 1.562 1
1 1322 . 5 2 2 B 22 22 MET N N 803 110.769 116.212 -5.443 1
1 1323 . 5 2 2 B 23 23 GLU H H 804 7.624 7.720 -0.096 1
1 1324 . 5 2 2 B 23 23 GLU HA H 804 3.918 3.986 -0.068 1
1 1329 . 5 2 2 B 23 23 GLU CA C 804 59.221 59.113 0.108 1
1 1330 . 5 2 2 B 23 23 GLU CB C 804 28.993 29.329 -0.336 1
1 1332 . 5 2 2 B 23 23 GLU N N 804 118.699 118.308 0.391 1
1 1333 . 5 2 2 B 24 24 ILE H H 805 6.626 7.202 -0.576 1
1 1334 . 5 2 2 B 24 24 ILE HA H 805 3.999 3.713 0.286 1
1 1344 . 5 2 2 B 24 24 ILE CA C 805 62.734 64.019 -1.285 1
1 1345 . 5 2 2 B 24 24 ILE CB C 805 37.574 37.078 0.496 1
1 1349 . 5 2 2 B 24 24 ILE N N 805 111.524 116.370 -4.846 1
1 1350 . 5 2 2 B 25 25 PHE H H 806 7.515 7.408 0.107 1
1 1351 . 5 2 2 B 25 25 PHE HA H 806 4.524 4.399 0.125 1
1 1358 . 5 2 2 B 25 25 PHE CA C 806 55.760 61.295 -5.535 1
1 1359 . 5 2 2 B 25 25 PHE CB C 806 38.464 38.497 -0.033 1
1 1362 . 5 2 2 B 25 25 PHE N N 806 118.322 121.029 -2.707 1
1 1363 . 5 2 2 B 26 26 ARG H H 807 7.368 7.815 -0.447 1
1 1364 . 5 2 2 B 26 26 ARG HA H 807 4.024 4.135 -0.111 1
1 1371 . 5 2 2 B 26 26 ARG CA C 807 58.864 59.061 -0.197 1
1 1372 . 5 2 2 B 26 26 ARG CB C 807 30.872 29.942 0.930 1
1 1375 . 5 2 2 B 26 26 ARG N N 807 118.888 121.635 -2.747 1
1 1376 . 5 2 2 B 27 27 ASN H H 808 8.877 8.119 0.758 1
1 1377 . 5 2 2 B 27 27 ASN HA H 808 4.732 4.988 -0.256 1
1 1382 . 5 2 2 B 27 27 ASN CA C 808 53.413 52.056 1.357 1
1 1383 . 5 2 2 B 27 27 ASN CB C 808 38.244 39.008 -0.764 1
1 1384 . 5 2 2 B 27 27 ASN N N 808 117.000 113.669 3.331 1
1 1386 . 5 2 2 B 28 28 SER H H 809 7.969 7.904 0.065 1
1 1387 . 5 2 2 B 28 28 SER HA H 809 4.440 4.743 -0.303 1
1 1390 . 5 2 2 B 28 28 SER CA C 809 60.606 57.934 2.672 1
1 1391 . 5 2 2 B 28 28 SER CB C 809 64.021 64.551 -0.530 1
1 1392 . 5 2 2 B 28 28 SER N N 809 114.356 115.174 -0.818 1
1 1393 . 5 2 2 B 29 29 VAL HA H 810 4.304 4.771 -0.467 1
1 1401 . 5 2 2 B 29 29 VAL CA C 810 60.803 60.354 0.449 1
1 1402 . 5 2 2 B 29 29 VAL CB C 810 34.232 36.524 -2.292 1
1 1405 . 5 2 2 B 30 30 LYS H H 811 8.707 8.536 0.171 1
1 1406 . 5 2 2 B 30 30 LYS HA H 811 4.552 4.707 -0.155 1
1 1415 . 5 2 2 B 30 30 LYS CA C 811 55.058 54.830 0.228 1
1 1416 . 5 2 2 B 30 30 LYS CB C 811 31.782 32.641 -0.859 1
1 1420 . 5 2 2 B 30 30 LYS N N 811 127.196 124.365 2.831 1
1 1421 . 5 2 2 B 31 31 ILE H H 812 8.604 8.290 0.314 1
1 1422 . 5 2 2 B 31 31 ILE HA H 812 3.662 3.755 -0.093 1
1 1432 . 5 2 2 B 31 31 ILE CA C 812 64.066 64.839 -0.773 1
1 1433 . 5 2 2 B 31 31 ILE CB C 812 37.726 37.733 -0.007 1
1 1437 . 5 2 2 B 31 31 ILE N N 812 125.497 124.361 1.136 1
1 1438 . 5 2 2 B 32 32 GLU H H 813 9.330 8.268 1.062 1
1 1439 . 5 2 2 B 32 32 GLU HA H 813 4.162 4.186 -0.024 1
1 1444 . 5 2 2 B 32 32 GLU CA C 813 58.096 57.680 0.416 1
1 1445 . 5 2 2 B 32 32 GLU CB C 813 28.834 30.376 -1.542 1
1 1447 . 5 2 2 B 32 32 GLU N N 813 118.888 119.225 -0.337 1
1 1448 . 5 2 2 B 33 33 GLU H H 814 7.742 7.784 -0.042 1
1 1449 . 5 2 2 B 33 33 GLU HA H 814 4.334 4.417 -0.083 1
1 1454 . 5 2 2 B 33 33 GLU CA C 814 56.441 57.434 -0.993 1
1 1455 . 5 2 2 B 33 33 GLU CB C 814 30.396 30.421 -0.025 1
1 1457 . 5 2 2 B 33 33 GLU N N 814 117.566 117.556 0.010 1
1 1458 . 5 2 2 B 34 34 ILE H H 815 7.598 7.581 0.017 1
1 1459 . 5 2 2 B 34 34 ILE HA H 815 4.216 3.870 0.346 1
1 1469 . 5 2 2 B 34 34 ILE CA C 815 61.047 64.715 -3.668 1
1 1470 . 5 2 2 B 34 34 ILE CB C 815 38.712 38.142 0.570 1
1 1474 . 5 2 2 B 34 34 ILE N N 815 117.566 118.100 -0.534 1
1 1475 . 5 2 2 B 35 35 MET H H 816 8.177 7.645 0.532 1
1 1476 . 5 2 2 B 35 35 MET HA H 816 4.733 4.515 0.218 1
1 1484 . 5 2 2 B 35 35 MET CA C 816 53.461 54.074 -0.613 1
1 1485 . 5 2 2 B 35 35 MET CB C 816 32.025 33.614 -1.589 1
1 1488 . 5 2 2 B 35 35 MET N N 816 122.665 121.437 1.228 1
1 1489 . 5 2 2 B 36 36 PRO HA H 817 4.743 4.444 0.299 1
1 1496 . 5 2 2 B 36 36 PRO CA C 817 62.542 63.600 -1.058 1
1 1497 . 5 2 2 B 36 36 PRO CB C 817 34.328 32.429 1.899 1
1 1500 . 5 2 2 B 37 37 ASN H H 818 8.374 8.202 0.172 1
1 1501 . 5 2 2 B 37 37 ASN HA H 818 4.752 4.426 0.326 1
1 1504 . 5 2 2 B 37 37 ASN CA C 818 52.995 53.969 -0.974 1
1 1505 . 5 2 2 B 37 37 ASN CB C 818 38.705 36.262 2.443 1
1 1506 . 5 2 2 B 37 37 ASN N N 818 117.378 117.507 -0.129 1
1 1507 . 5 2 2 B 38 38 GLY H H 819 8.314 8.172 0.142 1
1 1508 . 5 2 2 B 38 38 GLY HA2 H 819 3.937 3.804 0.133 1
1 1509 . 5 2 2 B 38 38 GLY HA3 H 819 3.994 3.806 0.188 1
1 1510 . 5 2 2 B 38 38 GLY CA C 819 45.006 46.970 -1.964 1
1 1511 . 5 2 2 B 38 38 GLY N N 819 108.881 108.589 0.292 1
1 1512 . 5 2 2 B 39 39 ASP H H 820 8.157 8.039 0.118 1
1 1513 . 5 2 2 B 39 39 ASP HA H 820 4.939 5.011 -0.072 1
1 1516 . 5 2 2 B 39 39 ASP CA C 820 51.896 51.065 0.831 1
1 1517 . 5 2 2 B 39 39 ASP CB C 820 41.672 43.660 -1.988 1
1 1518 . 5 2 2 B 39 39 ASP N N 820 121.154 117.090 4.064 1
1 1519 . 5 2 2 B 40 40 PRO HA H 821 4.483 4.308 0.175 1
1 1526 . 5 2 2 B 40 40 PRO CA C 821 63.351 65.751 -2.400 1
1 1527 . 5 2 2 B 40 40 PRO CB C 821 32.066 31.996 0.070 1
1 1530 . 5 2 2 B 41 41 LEU H H 822 8.440 7.605 0.835 1
1 1531 . 5 2 2 B 41 41 LEU HA H 822 4.262 4.019 0.243 1
1 1541 . 5 2 2 B 41 41 LEU CA C 822 55.539 57.432 -1.893 1
1 1542 . 5 2 2 B 41 41 LEU CB C 822 41.496 40.660 0.836 1
1 1546 . 5 2 2 B 41 41 LEU N N 822 119.644 116.811 2.833 1
1 1547 . 5 2 2 B 42 42 LEU H H 823 7.863 7.961 -0.098 1
1 1548 . 5 2 2 B 42 42 LEU HA H 823 4.353 3.929 0.424 1
1 1558 . 5 2 2 B 42 42 LEU CA C 823 54.598 57.590 -2.992 1
1 1559 . 5 2 2 B 42 42 LEU CB C 823 42.025 41.363 0.662 1
1 1563 . 5 2 2 B 42 42 LEU N N 823 120.399 120.093 0.306 1
1 1564 . 5 2 2 B 43 43 ALA H H 824 8.022 8.204 -0.182 1
1 1565 . 5 2 2 B 43 43 ALA HA H 824 4.330 4.084 0.246 1
1 1569 . 5 2 2 B 43 43 ALA CA C 824 52.539 54.959 -2.420 1
1 1570 . 5 2 2 B 43 43 ALA CB C 824 19.126 18.574 0.552 1
1 1571 . 5 2 2 B 43 43 ALA N N 824 123.420 120.744 2.676 1
1 1572 . 5 2 2 B 44 44 GLY H H 825 8.346 8.220 0.126 1
1 1573 . 5 2 2 B 44 44 GLY HA2 H 825 3.973 3.926 0.047 1
1 1574 . 5 2 2 B 44 44 GLY HA3 H 825 3.973 3.929 0.044 1
1 1575 . 5 2 2 B 44 44 GLY CA C 825 45.123 47.034 -1.911 1
1 1576 . 5 2 2 B 44 44 GLY N N 825 107.559 106.457 1.102 1
1 1577 . 5 2 2 B 45 45 GLN H H 826 8.204 7.599 0.605 1
1 1578 . 5 2 2 B 45 45 GLN HA H 826 4.377 4.464 -0.087 1
1 1585 . 5 2 2 B 45 45 GLN CA C 826 55.686 56.063 -0.377 1
1 1586 . 5 2 2 B 45 45 GLN CB C 826 29.376 30.410 -1.034 1
1 1588 . 5 2 2 B 45 45 GLN N N 826 119.266 117.862 1.404 1
1 1590 . 5 2 2 B 46 46 ASN H H 827 8.556 8.136 0.420 1
1 1591 . 5 2 2 B 46 46 ASN HA H 827 4.824 4.529 0.295 1
1 1596 . 5 2 2 B 46 46 ASN CA C 827 53.216 54.833 -1.617 1
1 1597 . 5 2 2 B 46 46 ASN CB C 827 38.759 38.596 0.163 1
1 1598 . 5 2 2 B 46 46 ASN N N 827 119.266 117.606 1.660 1
1 1600 . 5 2 2 B 47 47 THR H H 828 8.127 7.572 0.555 1
1 1601 . 5 2 2 B 47 47 THR HA H 828 4.414 4.350 0.064 1
1 1606 . 5 2 2 B 47 47 THR CA C 828 61.564 60.100 1.464 1
1 1607 . 5 2 2 B 47 47 THR CB C 828 69.507 70.825 -1.318 1
1 1609 . 5 2 2 B 47 47 THR N N 828 113.790 111.922 1.868 1
1 1610 . 5 2 2 B 48 48 VAL H H 829 8.140 8.314 -0.174 1
1 1611 . 5 2 2 B 48 48 VAL HA H 829 4.091 3.425 0.666 1
1 1619 . 5 2 2 B 48 48 VAL CA C 829 62.146 62.847 -0.701 1
1 1620 . 5 2 2 B 48 48 VAL CB C 829 32.515 29.430 3.085 1
1 1623 . 5 2 2 B 48 48 VAL N N 829 120.776 123.941 -3.165 1
1 1624 . 5 2 2 B 49 49 ASP H H 830 8.287 7.971 0.316 1
1 1625 . 5 2 2 B 49 49 ASP HA H 830 4.617 4.609 0.008 1
1 1628 . 5 2 2 B 49 49 ASP CA C 830 54.308 53.999 0.309 1
1 1629 . 5 2 2 B 49 49 ASP CB C 830 41.241 42.294 -1.053 1
1 1630 . 5 2 2 B 49 49 ASP N N 830 123.042 124.355 -1.313 1
1 1631 . 5 2 2 B 50 50 GLU H H 831 8.242 9.095 -0.853 1
1 1632 . 5 2 2 B 50 50 GLU HA H 831 4.261 3.898 0.363 1
1 1637 . 5 2 2 B 50 50 GLU CA C 831 56.521 59.852 -3.331 1
1 1638 . 5 2 2 B 50 50 GLU CB C 831 30.209 29.589 0.620 1
1 1640 . 5 2 2 B 50 50 GLU N N 831 120.776 125.513 -4.737 1
1 1641 . 5 2 2 B 51 51 VAL H H 832 8.044 8.268 -0.224 1
1 1642 . 5 2 2 B 51 51 VAL HA H 832 3.988 3.788 0.200 1
1 1650 . 5 2 2 B 51 51 VAL CA C 832 62.472 64.959 -2.487 1
1 1651 . 5 2 2 B 51 51 VAL CB C 832 32.278 31.535 0.743 1
1 1654 . 5 2 2 B 51 51 VAL N N 832 120.021 119.011 1.010 1
1 1655 . 5 2 2 B 52 52 TYR H H 833 8.148 7.889 0.259 1
1 1656 . 5 2 2 B 52 52 TYR HA H 833 4.598 4.182 0.416 1
1 1663 . 5 2 2 B 52 52 TYR CA C 833 57.743 61.408 -3.665 1
1 1664 . 5 2 2 B 52 52 TYR CB C 833 38.702 39.048 -0.346 1
1 1667 . 5 2 2 B 52 52 TYR N N 833 122.854 122.369 0.485 1
1 1668 . 5 2 2 B 53 53 VAL H H 834 7.868 7.399 0.469 1
1 1669 . 5 2 2 B 53 53 VAL HA H 834 4.114 4.313 -0.199 1
1 1677 . 5 2 2 B 53 53 VAL CA C 834 61.508 61.386 0.122 1
1 1678 . 5 2 2 B 53 53 VAL CB C 834 33.010 32.250 0.760 1
1 1681 . 5 2 2 B 53 53 VAL N N 834 121.721 113.611 8.110 1
1 1682 . 5 2 2 B 54 54 SER H H 835 8.237 7.879 0.358 1
1 1683 . 5 2 2 B 54 54 SER HA H 835 4.422 4.380 0.042 1
1 1686 . 5 2 2 B 54 54 SER CA C 835 57.823 59.776 -1.953 1
1 1687 . 5 2 2 B 54 54 SER CB C 835 63.437 62.988 0.449 1
1 1688 . 5 2 2 B 54 54 SER N N 835 119.077 117.455 1.622 1
1 1689 . 5 2 2 B 55 55 ARG H H 836 8.284 8.662 -0.378 1
1 1690 . 5 2 2 B 55 55 ARG HA H 836 4.701 4.051 0.650 1
1 1697 . 5 2 2 B 55 55 ARG CA C 836 53.601 56.540 -2.939 1
1 1698 . 5 2 2 B 55 55 ARG CB C 836 30.394 28.584 1.810 1
1 1701 . 5 2 2 B 55 55 ARG N N 836 123.798 119.350 4.448 1
1 1702 . 5 2 2 B 56 56 PRO HA H 837 4.485 4.451 0.034 1
1 1709 . 5 2 2 B 56 56 PRO CA C 837 63.351 64.414 -1.063 1
1 1710 . 5 2 2 B 56 56 PRO CB C 837 31.795 31.785 0.010 1
1 7 . 6 1 1 A 2 2 THR HA H 341 4.462 4.630 -0.168 1
1 12 . 6 1 1 A 2 2 THR CA C 341 61.936 62.729 -0.793 1
1 13 . 6 1 1 A 2 2 THR CB C 341 69.770 72.280 -2.510 1
1 15 . 6 1 1 A 3 3 GLY HA2 H 342 4.141 4.280 -0.139 1
1 16 . 6 1 1 A 3 3 GLY HA3 H 342 4.238 4.281 -0.043 1
1 17 . 6 1 1 A 3 3 GLY CA C 342 44.424 45.668 -1.244 1
1 18 . 6 1 1 A 4 4 PRO HA H 343 4.567 4.429 0.138 1
1 25 . 6 1 1 A 4 4 PRO CA C 343 63.088 64.943 -1.855 1
1 26 . 6 1 1 A 4 4 PRO CB C 343 32.443 31.889 0.554 1
1 29 . 6 1 1 A 5 5 THR H H 344 8.284 8.190 0.094 1
1 30 . 6 1 1 A 5 5 THR HA H 344 4.342 4.234 0.108 1
1 35 . 6 1 1 A 5 5 THR CA C 344 61.936 63.089 -1.153 1
1 36 . 6 1 1 A 5 5 THR CB C 344 69.539 68.961 0.578 1
1 38 . 6 1 1 A 5 5 THR N N 344 113.968 110.039 3.929 1
1 39 . 6 1 1 A 6 6 ALA H H 345 8.269 7.706 0.563 1
1 40 . 6 1 1 A 6 6 ALA HA H 345 4.434 4.518 -0.084 1
1 44 . 6 1 1 A 6 6 ALA CA C 345 52.028 52.660 -0.632 1
1 45 . 6 1 1 A 6 6 ALA CB C 345 19.771 21.255 -1.484 1
1 46 . 6 1 1 A 6 6 ALA N N 345 126.619 123.122 3.497 1
1 47 . 6 1 1 A 7 7 ASP H H 346 8.454 8.211 0.243 1
1 48 . 6 1 1 A 7 7 ASP HA H 346 4.917 4.358 0.559 1
1 51 . 6 1 1 A 7 7 ASP CA C 346 52.719 54.653 -1.934 1
1 52 . 6 1 1 A 7 7 ASP CB C 346 41.659 39.400 2.259 1
1 53 . 6 1 1 A 7 7 ASP N N 346 120.766 117.490 3.276 1
1 54 . 6 1 1 A 8 8 PRO HA H 347 4.398 4.337 0.061 1
1 61 . 6 1 1 A 8 8 PRO CA C 347 64.931 65.572 -0.641 1
1 62 . 6 1 1 A 8 8 PRO CB C 347 32.388 31.866 0.522 1
1 65 . 6 1 1 A 9 9 GLU H H 348 8.113 8.051 0.062 1
1 66 . 6 1 1 A 9 9 GLU HA H 348 4.154 4.112 0.042 1
1 71 . 6 1 1 A 9 9 GLU CB C 348 30.138 29.498 0.640 1
1 73 . 6 1 1 A 9 9 GLU N N 348 116.423 118.126 -1.703 1
1 74 . 6 1 1 A 10 10 LYS H H 349 7.699 8.223 -0.524 1
1 75 . 6 1 1 A 10 10 LYS HA H 349 3.982 3.961 0.021 1
1 84 . 6 1 1 A 10 10 LYS CA C 349 60.092 59.501 0.591 1
1 85 . 6 1 1 A 10 10 LYS CB C 349 32.558 32.206 0.352 1
1 89 . 6 1 1 A 10 10 LYS N N 349 119.255 119.846 -0.591 1
1 90 . 6 1 1 A 11 11 ARG H H 350 7.845 8.119 -0.274 1
1 91 . 6 1 1 A 11 11 ARG HA H 350 3.656 3.911 -0.255 1
1 98 . 6 1 1 A 11 11 ARG CA C 350 60.092 59.283 0.809 1
1 99 . 6 1 1 A 11 11 ARG CB C 350 28.295 30.006 -1.711 1
1 102 . 6 1 1 A 11 11 ARG N N 350 117.178 119.534 -2.356 1
1 103 . 6 1 1 A 12 12 LYS H H 351 7.888 7.620 0.268 1
1 104 . 6 1 1 A 12 12 LYS HA H 351 4.198 4.380 -0.182 1
1 109 . 6 1 1 A 12 12 LYS CA C 351 59.631 58.821 0.810 1
1 110 . 6 1 1 A 12 12 LYS CB C 351 32.673 31.998 0.675 1
1 112 . 6 1 1 A 12 12 LYS N N 351 117.745 119.505 -1.760 1
1 113 . 6 1 1 A 13 13 LEU H H 352 7.696 7.977 -0.281 1
1 114 . 6 1 1 A 13 13 LEU HA H 352 4.259 4.025 0.234 1
1 124 . 6 1 1 A 13 13 LEU CA C 352 58.019 57.924 0.095 1
1 125 . 6 1 1 A 13 13 LEU CB C 352 42.120 41.739 0.381 1
1 129 . 6 1 1 A 13 13 LEU N N 352 119.444 119.395 0.049 1
1 130 . 6 1 1 A 14 14 ILE H H 353 7.831 7.612 0.219 1
1 131 . 6 1 1 A 14 14 ILE HA H 353 3.648 3.790 -0.142 1
1 141 . 6 1 1 A 14 14 ILE CA C 353 65.392 64.207 1.185 1
1 142 . 6 1 1 A 14 14 ILE CB C 353 38.203 37.486 0.717 1
1 146 . 6 1 1 A 14 14 ILE N N 353 118.311 115.810 2.501 1
1 147 . 6 1 1 A 15 15 GLN H H 354 8.178 8.045 0.133 1
1 148 . 6 1 1 A 15 15 GLN HA H 354 3.791 3.857 -0.066 1
1 155 . 6 1 1 A 15 15 GLN CA C 354 59.631 59.161 0.470 1
1 156 . 6 1 1 A 15 15 GLN CB C 354 30.369 28.124 2.245 1
1 158 . 6 1 1 A 15 15 GLN N N 354 116.423 121.070 -4.647 1
1 160 . 6 1 1 A 16 16 GLN H H 355 8.192 7.824 0.368 1
1 161 . 6 1 1 A 16 16 GLN HA H 355 3.799 4.093 -0.294 1
1 168 . 6 1 1 A 16 16 GLN CA C 355 59.171 59.019 0.152 1
1 169 . 6 1 1 A 16 16 GLN CB C 355 28.986 28.375 0.611 1
1 171 . 6 1 1 A 16 16 GLN N N 355 117.178 118.420 -1.242 1
1 173 . 6 1 1 A 17 17 GLN H H 356 7.970 7.600 0.370 1
1 174 . 6 1 1 A 17 17 GLN HA H 356 3.136 4.008 -0.872 1
1 181 . 6 1 1 A 17 17 GLN CA C 356 60.323 58.619 1.704 1
1 182 . 6 1 1 A 17 17 GLN CB C 356 27.143 28.159 -1.016 1
1 184 . 6 1 1 A 17 17 GLN N N 356 118.311 119.692 -1.381 1
1 186 . 6 1 1 A 18 18 LEU H H 357 8.408 8.144 0.264 1
1 187 . 6 1 1 A 18 18 LEU HA H 357 3.863 3.968 -0.105 1
1 197 . 6 1 1 A 18 18 LEU CA C 357 58.710 58.333 0.377 1
1 198 . 6 1 1 A 18 18 LEU CB C 357 40.968 41.889 -0.921 1
1 202 . 6 1 1 A 18 18 LEU N N 357 117.934 121.035 -3.101 1
1 203 . 6 1 1 A 19 19 VAL H H 358 8.544 8.133 0.411 1
1 204 . 6 1 1 A 19 19 VAL HA H 358 3.479 3.435 0.044 1
1 212 . 6 1 1 A 19 19 VAL CA C 358 66.544 66.904 -0.360 1
1 213 . 6 1 1 A 19 19 VAL CB C 358 31.060 31.245 -0.185 1
1 216 . 6 1 1 A 19 19 VAL N N 358 116.423 119.170 -2.747 1
1 217 . 6 1 1 A 20 20 LEU H H 359 7.820 8.013 -0.193 1
1 218 . 6 1 1 A 20 20 LEU HA H 359 3.952 3.944 0.008 1
1 228 . 6 1 1 A 20 20 LEU CA C 359 58.019 58.002 0.017 1
1 229 . 6 1 1 A 20 20 LEU CB C 359 42.696 41.263 1.433 1
1 233 . 6 1 1 A 20 20 LEU N N 359 120.955 119.935 1.020 1
1 234 . 6 1 1 A 21 21 LEU H H 360 8.278 8.018 0.260 1
1 235 . 6 1 1 A 21 21 LEU HA H 360 3.868 4.089 -0.221 1
1 245 . 6 1 1 A 21 21 LEU CA C 360 58.710 58.007 0.703 1
1 246 . 6 1 1 A 21 21 LEU CB C 360 42.811 41.548 1.263 1
1 250 . 6 1 1 A 21 21 LEU N N 360 121.144 119.665 1.479 1
1 251 . 6 1 1 A 22 22 LEU H H 361 8.331 8.174 0.157 1
1 252 . 6 1 1 A 22 22 LEU HA H 361 3.919 3.919 0.000 1
1 262 . 6 1 1 A 22 22 LEU CA C 361 57.788 58.119 -0.331 1
1 263 . 6 1 1 A 22 22 LEU CB C 361 41.083 41.251 -0.168 1
1 267 . 6 1 1 A 22 22 LEU N N 361 118.500 117.956 0.544 1
1 268 . 6 1 1 A 23 23 HIS H H 362 8.620 8.380 0.240 1
1 269 . 6 1 1 A 23 23 HIS HA H 362 4.114 4.261 -0.147 1
1 274 . 6 1 1 A 23 23 HIS CA C 362 60.323 59.621 0.702 1
1 275 . 6 1 1 A 23 23 HIS CB C 362 27.834 29.744 -1.910 1
1 278 . 6 1 1 A 23 23 HIS N N 362 117.934 117.958 -0.024 1
1 279 . 6 1 1 A 24 24 ALA H H 363 9.049 8.440 0.609 1
1 280 . 6 1 1 A 24 24 ALA HA H 363 3.954 4.016 -0.062 1
1 284 . 6 1 1 A 24 24 ALA CA C 363 55.253 55.131 0.122 1
1 285 . 6 1 1 A 24 24 ALA CB C 363 19.079 17.979 1.100 1
1 286 . 6 1 1 A 24 24 ALA N N 363 121.710 120.629 1.081 1
1 287 . 6 1 1 A 25 25 HIS H H 364 7.955 7.985 -0.030 1
1 288 . 6 1 1 A 25 25 HIS HA H 364 4.130 4.194 -0.064 1
1 293 . 6 1 1 A 25 25 HIS CA C 364 60.092 59.712 0.380 1
1 294 . 6 1 1 A 25 25 HIS CB C 364 31.060 30.145 0.915 1
1 297 . 6 1 1 A 25 25 HIS N N 364 115.856 118.097 -2.241 1
1 298 . 6 1 1 A 26 26 LYS H H 365 7.053 8.284 -1.231 1
1 299 . 6 1 1 A 26 26 LYS HA H 365 4.014 3.986 0.028 1
1 302 . 6 1 1 A 26 26 LYS CA C 365 57.788 59.274 -1.486 1
1 303 . 6 1 1 A 26 26 LYS CB C 365 32.903 31.884 1.019 1
1 304 . 6 1 1 A 26 26 LYS N N 365 117.178 117.951 -0.773 1
1 305 . 6 1 1 A 27 27 CYS H H 366 8.592 8.138 0.454 1
1 306 . 6 1 1 A 27 27 CYS HA H 366 3.741 3.974 -0.233 1
1 309 . 6 1 1 A 27 27 CYS CA C 366 62.396 62.422 -0.026 1
1 310 . 6 1 1 A 27 27 CYS CB C 366 29.678 26.792 2.886 1
1 311 . 6 1 1 A 27 27 CYS N N 366 123.976 118.452 5.524 1
1 312 . 6 1 1 A 28 28 GLN H H 367 8.349 8.293 0.056 1
1 313 . 6 1 1 A 28 28 GLN HA H 367 4.283 3.909 0.374 1
1 320 . 6 1 1 A 28 28 GLN CA C 367 57.327 59.174 -1.847 1
1 321 . 6 1 1 A 28 28 GLN CB C 367 29.217 28.323 0.894 1
1 323 . 6 1 1 A 28 28 GLN N N 367 119.444 119.602 -0.158 1
1 325 . 6 1 1 A 29 29 ARG H H 368 7.635 7.568 0.067 1
1 326 . 6 1 1 A 29 29 ARG HA H 368 4.169 4.085 0.084 1
1 333 . 6 1 1 A 29 29 ARG CA C 368 57.558 59.602 -2.044 1
1 334 . 6 1 1 A 29 29 ARG CB C 368 29.908 29.821 0.087 1
1 337 . 6 1 1 A 29 29 ARG N N 368 119.444 118.600 0.844 1
1 338 . 6 1 1 A 30 30 ARG H H 369 8.018 7.990 0.028 1
1 339 . 6 1 1 A 30 30 ARG HA H 369 4.260 4.076 0.184 1
1 346 . 6 1 1 A 30 30 ARG CA C 369 57.558 59.559 -2.001 1
1 347 . 6 1 1 A 30 30 ARG CB C 369 30.599 30.163 0.436 1
1 350 . 6 1 1 A 30 30 ARG N N 369 120.388 119.078 1.310 1
1 351 . 6 1 1 A 31 31 GLU H H 370 8.208 8.274 -0.066 1
1 352 . 6 1 1 A 31 31 GLU HA H 370 4.236 4.175 0.061 1
1 357 . 6 1 1 A 31 31 GLU CA C 370 57.788 59.079 -1.291 1
1 358 . 6 1 1 A 31 31 GLU CB C 370 30.369 29.140 1.229 1
1 360 . 6 1 1 A 31 31 GLU N N 370 120.388 119.409 0.979 1
1 361 . 6 1 1 A 32 32 GLN H H 371 8.165 8.421 -0.256 1
1 362 . 6 1 1 A 32 32 GLN HA H 371 4.313 4.074 0.239 1
1 367 . 6 1 1 A 32 32 GLN CA C 371 56.636 58.947 -2.311 1
1 368 . 6 1 1 A 32 32 GLN CB C 371 29.217 28.583 0.634 1
1 370 . 6 1 1 A 32 32 GLN N N 371 118.878 120.265 -1.387 1
1 371 . 6 1 1 A 33 33 ALA H H 372 8.095 7.872 0.223 1
1 372 . 6 1 1 A 33 33 ALA HA H 372 4.327 4.077 0.250 1
1 376 . 6 1 1 A 33 33 ALA CA C 372 53.180 54.721 -1.541 1
1 377 . 6 1 1 A 33 33 ALA CB C 372 19.079 18.198 0.881 1
1 378 . 6 1 1 A 33 33 ALA N N 372 123.032 121.236 1.796 1
1 379 . 6 1 1 A 34 34 ASN H H 373 8.186 7.690 0.496 1
1 380 . 6 1 1 A 34 34 ASN HA H 373 4.735 4.697 0.038 1
1 383 . 6 1 1 A 34 34 ASN CA C 373 53.410 53.516 -0.106 1
1 384 . 6 1 1 A 34 34 ASN CB C 373 38.894 38.972 -0.078 1
1 385 . 6 1 1 A 34 34 ASN N N 373 115.479 115.318 0.161 1
1 386 . 6 1 1 A 35 35 GLY H H 374 8.266 8.697 -0.431 1
1 387 . 6 1 1 A 35 35 GLY HA2 H 374 3.943 3.900 0.043 1
1 388 . 6 1 1 A 35 35 GLY HA3 H 374 4.044 3.900 0.144 1
1 389 . 6 1 1 A 35 35 GLY CA C 374 45.576 45.644 -0.068 1
1 390 . 6 1 1 A 35 35 GLY N N 374 108.492 107.819 0.673 1
1 391 . 6 1 1 A 36 36 GLU H H 375 8.132 7.993 0.139 1
1 392 . 6 1 1 A 36 36 GLU HA H 375 4.368 4.960 -0.592 1
1 397 . 6 1 1 A 36 36 GLU CA C 375 55.945 54.490 1.455 1
1 398 . 6 1 1 A 36 36 GLU CB C 375 30.369 33.363 -2.994 1
1 400 . 6 1 1 A 36 36 GLU N N 375 119.822 119.766 0.056 1
1 401 . 6 1 1 A 37 37 VAL H H 376 8.132 8.429 -0.297 1
1 402 . 6 1 1 A 37 37 VAL HA H 376 4.139 4.736 -0.597 1
1 410 . 6 1 1 A 37 37 VAL CA C 376 62.166 59.841 2.325 1
1 411 . 6 1 1 A 37 37 VAL CB C 376 32.673 34.797 -2.124 1
1 414 . 6 1 1 A 37 37 VAL N N 376 121.144 120.426 0.718 1
1 415 . 6 1 1 A 38 38 ARG H H 377 8.455 8.617 -0.162 1
1 416 . 6 1 1 A 38 38 ARG HA H 377 4.392 4.651 -0.259 1
1 423 . 6 1 1 A 38 38 ARG CA C 377 55.253 56.143 -0.890 1
1 424 . 6 1 1 A 38 38 ARG CB C 377 31.060 32.724 -1.664 1
1 427 . 6 1 1 A 38 38 ARG N N 377 125.109 124.899 0.210 1
1 428 . 6 1 1 A 39 39 ALA H H 378 8.384 7.523 0.861 1
1 429 . 6 1 1 A 39 39 ALA HA H 378 4.287 4.564 -0.277 1
1 433 . 6 1 1 A 39 39 ALA CA C 378 52.028 51.672 0.356 1
1 434 . 6 1 1 A 39 39 ALA CB C 378 19.540 22.174 -2.634 1
1 435 . 6 1 1 A 39 39 ALA N N 378 126.053 119.664 6.389 1
1 436 . 6 1 1 A 40 40 CYS H H 379 8.480 8.547 -0.067 1
1 437 . 6 1 1 A 40 40 CYS HA H 379 4.344 4.923 -0.579 1
1 440 . 6 1 1 A 40 40 CYS CA C 379 60.092 57.618 2.474 1
1 441 . 6 1 1 A 40 40 CYS CB C 379 30.138 31.631 -1.493 1
1 442 . 6 1 1 A 40 40 CYS N N 379 123.787 117.269 6.518 1
1 443 . 6 1 1 A 41 41 SER HA H 380 4.588 4.408 0.180 1
1 446 . 6 1 1 A 41 41 SER CA C 380 57.788 61.019 -3.231 1
1 447 . 6 1 1 A 41 41 SER CB C 380 63.779 63.546 0.233 1
1 448 . 6 1 1 A 42 42 LEU H H 381 8.642 7.460 1.182 1
1 449 . 6 1 1 A 42 42 LEU HA H 381 4.488 4.304 0.184 1
1 459 . 6 1 1 A 42 42 LEU CA C 381 53.871 53.296 0.575 1
1 460 . 6 1 1 A 42 42 LEU CB C 381 41.659 42.436 -0.777 1
1 464 . 6 1 1 A 42 42 LEU N N 381 129.074 121.386 7.688 1
1 465 . 6 1 1 A 43 43 PRO HA H 382 4.095 4.126 -0.031 1
1 472 . 6 1 1 A 43 43 PRO CA C 382 64.470 64.660 -0.190 1
1 473 . 6 1 1 A 43 43 PRO CB C 382 31.751 31.494 0.257 1
1 476 . 6 1 1 A 44 44 HIS H H 383 8.014 8.043 -0.029 1
1 477 . 6 1 1 A 44 44 HIS HA H 383 4.527 4.936 -0.409 1
1 482 . 6 1 1 A 44 44 HIS CA C 383 58.249 55.090 3.159 1
1 483 . 6 1 1 A 44 44 HIS CB C 383 30.369 30.166 0.203 1
1 486 . 6 1 1 A 44 44 HIS N N 383 110.569 113.419 -2.850 1
1 487 . 6 1 1 A 45 45 CYS H H 384 7.729 7.773 -0.044 1
1 488 . 6 1 1 A 45 45 CYS HA H 384 4.023 3.914 0.109 1
1 491 . 6 1 1 A 45 45 CYS CA C 384 64.470 62.617 1.853 1
1 492 . 6 1 1 A 45 45 CYS CB C 384 28.756 26.574 2.182 1
1 493 . 6 1 1 A 45 45 CYS N N 384 124.165 120.788 3.377 1
1 494 . 6 1 1 A 46 46 ARG H H 385 8.239 8.094 0.145 1
1 495 . 6 1 1 A 46 46 ARG HA H 385 3.978 4.116 -0.138 1
1 502 . 6 1 1 A 46 46 ARG CA C 385 59.401 58.752 0.649 1
1 503 . 6 1 1 A 46 46 ARG CB C 385 28.986 29.986 -1.000 1
1 506 . 6 1 1 A 46 46 ARG N N 385 116.612 119.506 -2.894 1
1 507 . 6 1 1 A 47 47 THR H H 386 7.496 7.948 -0.452 1
1 508 . 6 1 1 A 47 47 THR HA H 386 4.008 3.916 0.092 1
1 513 . 6 1 1 A 47 47 THR CA C 386 65.853 67.083 -1.230 1
1 514 . 6 1 1 A 47 47 THR CB C 386 68.387 68.479 -0.092 1
1 516 . 6 1 1 A 47 47 THR N N 386 114.346 116.452 -2.106 1
1 517 . 6 1 1 A 48 48 MET H H 387 8.216 8.059 0.157 1
1 518 . 6 1 1 A 48 48 MET HA H 387 4.622 4.033 0.589 1
1 526 . 6 1 1 A 48 48 MET CA C 387 56.636 59.165 -2.529 1
1 527 . 6 1 1 A 48 48 MET CB C 387 31.291 32.784 -1.493 1
1 530 . 6 1 1 A 48 48 MET N N 387 119.444 118.311 1.133 1
1 531 . 6 1 1 A 49 49 LYS H H 388 9.306 8.282 1.024 1
1 532 . 6 1 1 A 49 49 LYS HA H 388 3.923 3.962 -0.039 1
1 541 . 6 1 1 A 49 49 LYS CA C 388 61.244 60.281 0.963 1
1 542 . 6 1 1 A 49 49 LYS CB C 388 32.903 32.342 0.561 1
1 546 . 6 1 1 A 49 49 LYS N N 388 122.276 117.829 4.447 1
1 547 . 6 1 1 A 50 50 ASN H H 389 8.069 7.998 0.071 1
1 548 . 6 1 1 A 50 50 ASN HA H 389 4.629 4.603 0.026 1
1 553 . 6 1 1 A 50 50 ASN CA C 389 56.175 56.183 -0.008 1
1 554 . 6 1 1 A 50 50 ASN CB C 389 37.512 38.711 -1.199 1
1 555 . 6 1 1 A 50 50 ASN N N 389 117.178 118.033 -0.855 1
1 557 . 6 1 1 A 51 51 VAL H H 390 8.116 7.829 0.287 1
1 558 . 6 1 1 A 51 51 VAL HA H 390 3.803 3.656 0.147 1
1 566 . 6 1 1 A 51 51 VAL CA C 390 67.235 66.736 0.499 1
1 567 . 6 1 1 A 51 51 VAL CB C 390 31.751 31.600 0.151 1
1 570 . 6 1 1 A 51 51 VAL N N 390 123.598 120.045 3.553 1
1 571 . 6 1 1 A 52 52 LEU H H 391 8.735 8.574 0.161 1
1 572 . 6 1 1 A 52 52 LEU HA H 391 4.123 3.987 0.136 1
1 582 . 6 1 1 A 52 52 LEU CA C 391 58.479 58.325 0.154 1
1 583 . 6 1 1 A 52 52 LEU CB C 391 41.659 41.519 0.140 1
1 587 . 6 1 1 A 52 52 LEU N N 391 120.955 119.735 1.220 1
1 588 . 6 1 1 A 53 53 ASN H H 392 8.231 8.576 -0.345 1
1 589 . 6 1 1 A 53 53 ASN HA H 392 4.561 4.382 0.179 1
1 594 . 6 1 1 A 53 53 ASN CA C 392 56.175 56.497 -0.322 1
1 595 . 6 1 1 A 53 53 ASN CB C 392 38.433 39.244 -0.811 1
1 596 . 6 1 1 A 53 53 ASN N N 392 116.801 117.419 -0.618 1
1 598 . 6 1 1 A 54 54 HIS H H 393 8.049 8.276 -0.227 1
1 599 . 6 1 1 A 54 54 HIS HA H 393 4.418 4.305 0.113 1
1 604 . 6 1 1 A 54 54 HIS CA C 393 59.401 60.057 -0.656 1
1 605 . 6 1 1 A 54 54 HIS CB C 393 27.604 30.317 -2.713 1
1 608 . 6 1 1 A 54 54 HIS N N 393 120.011 119.612 0.399 1
1 609 . 6 1 1 A 55 55 MET H H 394 9.118 8.594 0.524 1
1 610 . 6 1 1 A 55 55 MET HA H 394 3.704 3.991 -0.287 1
1 618 . 6 1 1 A 55 55 MET CA C 394 59.401 58.371 1.030 1
1 619 . 6 1 1 A 55 55 MET CB C 394 34.286 32.443 1.843 1
1 622 . 6 1 1 A 55 55 MET N N 394 119.066 116.785 2.281 1
1 623 . 6 1 1 A 56 56 THR H H 395 7.521 7.666 -0.145 1
1 624 . 6 1 1 A 56 56 THR HA H 395 3.915 4.100 -0.185 1
1 629 . 6 1 1 A 56 56 THR CA C 395 65.392 64.651 0.741 1
1 630 . 6 1 1 A 56 56 THR CB C 395 69.309 68.264 1.045 1
1 632 . 6 1 1 A 56 56 THR N N 395 110.758 115.433 -4.675 1
1 633 . 6 1 1 A 57 57 HIS H H 396 7.023 7.763 -0.740 1
1 634 . 6 1 1 A 57 57 HIS HA H 396 4.846 4.698 0.148 1
1 639 . 6 1 1 A 57 57 HIS CA C 396 55.023 56.484 -1.461 1
1 640 . 6 1 1 A 57 57 HIS CB C 396 30.830 31.668 -0.838 1
1 643 . 6 1 1 A 57 57 HIS N N 396 115.668 115.481 0.187 1
1 644 . 6 1 1 A 58 58 CYS H H 397 7.134 7.728 -0.594 1
1 645 . 6 1 1 A 58 58 CYS HA H 397 4.048 4.087 -0.039 1
1 648 . 6 1 1 A 58 58 CYS CA C 397 60.784 60.076 0.708 1
1 649 . 6 1 1 A 58 58 CYS CB C 397 29.678 27.990 1.688 1
1 650 . 6 1 1 A 58 58 CYS N N 397 123.598 117.870 5.728 1
1 651 . 6 1 1 A 59 59 GLN HA H 398 4.710 4.680 0.030 1
1 656 . 6 1 1 A 59 59 GLN CA C 398 55.023 55.830 -0.807 1
1 657 . 6 1 1 A 59 59 GLN CB C 398 29.678 30.121 -0.443 1
1 659 . 6 1 1 A 60 60 ALA H H 399 8.689 7.918 0.771 1
1 660 . 6 1 1 A 60 60 ALA HA H 399 4.414 4.221 0.193 1
1 664 . 6 1 1 A 60 60 ALA CA C 399 52.949 52.666 0.283 1
1 665 . 6 1 1 A 60 60 ALA CB C 399 20.001 19.758 0.243 1
1 666 . 6 1 1 A 60 60 ALA N N 399 124.731 121.709 3.022 1
1 667 . 6 1 1 A 61 61 GLY H H 400 8.166 8.291 -0.125 1
1 668 . 6 1 1 A 61 61 GLY HA2 H 400 3.621 3.842 -0.221 1
1 669 . 6 1 1 A 61 61 GLY HA3 H 400 3.976 3.857 0.119 1
1 670 . 6 1 1 A 61 61 GLY CA C 400 46.267 47.209 -0.942 1
1 671 . 6 1 1 A 61 61 GLY N N 400 107.926 107.206 0.720 1
1 672 . 6 1 1 A 62 62 LYS HA H 401 4.138 4.245 -0.107 1
1 673 . 6 1 1 A 62 62 LYS CA C 401 58.479 58.527 -0.048 1
1 674 . 6 1 1 A 63 63 ALA H H 402 7.671 7.926 -0.255 1
1 675 . 6 1 1 A 63 63 ALA HA H 402 4.448 4.547 -0.099 1
1 679 . 6 1 1 A 63 63 ALA CA C 402 51.336 51.331 0.005 1
1 680 . 6 1 1 A 63 63 ALA CB C 402 19.079 20.224 -1.145 1
1 681 . 6 1 1 A 63 63 ALA N N 402 119.444 120.736 -1.292 1
1 682 . 6 1 1 A 64 64 CYS H H 403 7.497 7.467 0.030 1
1 683 . 6 1 1 A 64 64 CYS HA H 403 3.857 4.481 -0.624 1
1 686 . 6 1 1 A 64 64 CYS CA C 403 62.396 59.103 3.293 1
1 687 . 6 1 1 A 64 64 CYS CB C 403 29.908 28.932 0.976 1
1 688 . 6 1 1 A 64 64 CYS N N 403 121.899 118.295 3.604 1
1 689 . 6 1 1 A 65 65 GLN H H 404 9.025 8.434 0.591 1
1 690 . 6 1 1 A 65 65 GLN HA H 404 4.463 4.508 -0.045 1
1 697 . 6 1 1 A 65 65 GLN CA C 404 55.673 55.364 0.309 1
1 698 . 6 1 1 A 65 65 GLN CB C 404 29.332 30.179 -0.847 1
1 700 . 6 1 1 A 65 65 GLN N N 404 128.885 122.161 6.724 1
1 702 . 6 1 1 A 66 66 VAL H H 405 9.337 7.189 2.148 1
1 703 . 6 1 1 A 66 66 VAL HA H 405 3.631 4.086 -0.455 1
1 711 . 6 1 1 A 66 66 VAL CA C 405 64.240 62.669 1.571 1
1 712 . 6 1 1 A 66 66 VAL CB C 405 30.830 31.400 -0.570 1
1 715 . 6 1 1 A 66 66 VAL N N 405 127.752 122.114 5.638 1
1 716 . 6 1 1 A 67 67 ALA H H 406 8.581 8.834 -0.253 1
1 717 . 6 1 1 A 67 67 ALA HA H 406 3.761 3.921 -0.160 1
1 721 . 6 1 1 A 67 67 ALA CA C 406 54.101 55.380 -1.279 1
1 722 . 6 1 1 A 67 67 ALA CB C 406 17.467 18.139 -0.672 1
1 723 . 6 1 1 A 67 67 ALA N N 406 133.983 129.643 4.340 1
1 724 . 6 1 1 A 68 68 HIS H H 407 8.099 7.625 0.474 1
1 725 . 6 1 1 A 68 68 HIS HA H 407 4.407 4.413 -0.006 1
1 730 . 6 1 1 A 68 68 HIS CA C 407 57.327 58.755 -1.428 1
1 731 . 6 1 1 A 68 68 HIS CB C 407 29.447 29.801 -0.354 1
1 734 . 6 1 1 A 68 68 HIS N N 407 110.569 114.954 -4.385 1
1 735 . 6 1 1 A 69 69 CYS H H 408 8.086 8.153 -0.067 1
1 736 . 6 1 1 A 69 69 CYS HA H 408 4.163 4.039 0.124 1
1 739 . 6 1 1 A 69 69 CYS CA C 408 64.240 62.669 1.571 1
1 740 . 6 1 1 A 69 69 CYS CB C 408 29.908 26.773 3.135 1
1 741 . 6 1 1 A 69 69 CYS N N 408 126.619 118.663 7.956 1
1 742 . 6 1 1 A 70 70 ALA H H 409 8.728 8.061 0.667 1
1 743 . 6 1 1 A 70 70 ALA HA H 409 4.333 4.033 0.300 1
1 747 . 6 1 1 A 70 70 ALA CA C 409 55.253 55.420 -0.167 1
1 748 . 6 1 1 A 70 70 ALA CB C 409 17.697 18.229 -0.532 1
1 749 . 6 1 1 A 70 70 ALA N N 409 118.689 123.215 -4.526 1
1 750 . 6 1 1 A 71 71 SER H H 410 9.179 8.116 1.063 1
1 751 . 6 1 1 A 71 71 SER HA H 410 4.138 4.111 0.027 1
1 754 . 6 1 1 A 71 71 SER CA C 410 60.323 61.810 -1.487 1
1 755 . 6 1 1 A 71 71 SER CB C 410 61.244 62.994 -1.750 1
1 756 . 6 1 1 A 71 71 SER N N 410 114.535 113.720 0.815 1
1 757 . 6 1 1 A 72 72 SER H H 411 7.937 8.347 -0.410 1
1 758 . 6 1 1 A 72 72 SER HA H 411 4.048 4.244 -0.196 1
1 762 . 6 1 1 A 72 72 SER CA C 411 64.240 61.540 2.700 1
1 763 . 6 1 1 A 72 72 SER CB C 411 62.396 62.854 -0.458 1
1 764 . 6 1 1 A 72 72 SER N N 411 120.766 117.297 3.469 1
1 765 . 6 1 1 A 73 73 ARG H H 412 8.835 8.246 0.589 1
1 766 . 6 1 1 A 73 73 ARG HA H 412 3.855 3.979 -0.124 1
1 773 . 6 1 1 A 73 73 ARG CA C 412 60.323 59.761 0.562 1
1 774 . 6 1 1 A 73 73 ARG CB C 412 30.369 29.968 0.401 1
1 777 . 6 1 1 A 73 73 ARG N N 412 122.276 121.452 0.824 1
1 778 . 6 1 1 A 74 74 GLN H H 413 7.873 7.318 0.555 1
1 779 . 6 1 1 A 74 74 GLN HA H 413 4.182 4.187 -0.005 1
1 786 . 6 1 1 A 74 74 GLN CA C 413 58.710 58.440 0.270 1
1 787 . 6 1 1 A 74 74 GLN CB C 413 29.447 28.617 0.830 1
1 789 . 6 1 1 A 74 74 GLN N N 413 118.689 118.537 0.152 1
1 791 . 6 1 1 A 75 75 ILE H H 414 8.754 8.209 0.545 1
1 792 . 6 1 1 A 75 75 ILE HA H 414 3.617 3.942 -0.325 1
1 802 . 6 1 1 A 75 75 ILE CA C 414 66.544 64.721 1.823 1
1 803 . 6 1 1 A 75 75 ILE CB C 414 38.664 37.263 1.401 1
1 807 . 6 1 1 A 75 75 ILE N N 414 121.710 119.818 1.892 1
1 808 . 6 1 1 A 76 76 ILE H H 415 8.856 8.317 0.539 1
1 809 . 6 1 1 A 76 76 ILE HA H 415 3.863 3.625 0.238 1
1 819 . 6 1 1 A 76 76 ILE CA C 415 64.701 65.327 -0.626 1
1 820 . 6 1 1 A 76 76 ILE CB C 415 37.051 37.618 -0.567 1
1 824 . 6 1 1 A 76 76 ILE N N 415 120.199 122.691 -2.492 1
1 825 . 6 1 1 A 77 77 SER H H 416 7.981 8.149 -0.168 1
1 826 . 6 1 1 A 77 77 SER HA H 416 4.153 4.170 -0.017 1
1 829 . 6 1 1 A 77 77 SER CA C 416 62.166 60.587 1.579 1
1 830 . 6 1 1 A 77 77 SER CB C 416 62.627 63.160 -0.533 1
1 831 . 6 1 1 A 77 77 SER N N 416 114.346 115.494 -1.148 1
1 832 . 6 1 1 A 78 78 HIS H H 417 8.126 7.410 0.716 1
1 833 . 6 1 1 A 78 78 HIS HA H 417 4.154 4.451 -0.297 1
1 838 . 6 1 1 A 78 78 HIS CA C 417 60.553 59.532 1.021 1
1 839 . 6 1 1 A 78 78 HIS CB C 417 28.065 30.226 -2.161 1
1 842 . 6 1 1 A 78 78 HIS N N 417 118.878 120.605 -1.727 1
1 843 . 6 1 1 A 79 79 TRP H H 418 8.417 8.359 0.058 1
1 844 . 6 1 1 A 79 79 TRP HA H 418 4.451 4.183 0.268 1
1 853 . 6 1 1 A 79 79 TRP CA C 418 59.862 60.150 -0.288 1
1 854 . 6 1 1 A 79 79 TRP CB C 418 30.369 29.715 0.654 1
1 860 . 6 1 1 A 79 79 TRP N N 418 119.255 121.354 -2.099 1
1 862 . 6 1 1 A 80 80 LYS H H 419 8.412 8.240 0.172 1
1 863 . 6 1 1 A 80 80 LYS HA H 419 3.714 4.031 -0.317 1
1 872 . 6 1 1 A 80 80 LYS CA C 419 58.710 58.254 0.456 1
1 873 . 6 1 1 A 80 80 LYS CB C 419 32.673 32.211 0.462 1
1 877 . 6 1 1 A 80 80 LYS N N 419 115.101 118.344 -3.243 1
1 878 . 6 1 1 A 81 81 ASN H H 420 7.416 7.832 -0.416 1
1 879 . 6 1 1 A 81 81 ASN HA H 420 4.713 4.761 -0.048 1
1 884 . 6 1 1 A 81 81 ASN CA C 420 53.410 53.851 -0.441 1
1 885 . 6 1 1 A 81 81 ASN CB C 420 40.737 41.275 -0.538 1
1 886 . 6 1 1 A 81 81 ASN N N 420 113.968 114.502 -0.534 1
1 888 . 6 1 1 A 82 82 CYS H H 421 7.617 7.718 -0.101 1
1 889 . 6 1 1 A 82 82 CYS HA H 421 3.986 4.273 -0.287 1
1 892 . 6 1 1 A 82 82 CYS CA C 421 61.244 60.070 1.174 1
1 893 . 6 1 1 A 82 82 CYS CB C 421 28.756 27.821 0.935 1
1 894 . 6 1 1 A 82 82 CYS N N 421 124.354 118.477 5.877 1
1 895 . 6 1 1 A 83 83 THR H H 422 8.535 8.504 0.031 1
1 896 . 6 1 1 A 83 83 THR HA H 422 4.527 4.664 -0.137 1
1 901 . 6 1 1 A 83 83 THR CA C 422 60.553 61.077 -0.524 1
1 902 . 6 1 1 A 83 83 THR CB C 422 69.309 70.593 -1.284 1
1 904 . 6 1 1 A 83 83 THR N N 422 118.500 116.657 1.843 1
1 905 . 6 1 1 A 84 84 ARG HA H 423 4.448 4.231 0.217 1
1 912 . 6 1 1 A 84 84 ARG CA C 423 56.175 55.991 0.184 1
1 913 . 6 1 1 A 84 84 ARG CB C 423 31.521 30.895 0.626 1
1 916 . 6 1 1 A 85 85 HIS HA H 424 4.391 4.516 -0.125 1
1 921 . 6 1 1 A 85 85 HIS CA C 424 58.479 57.531 0.948 1
1 922 . 6 1 1 A 85 85 HIS CB C 424 30.138 29.448 0.690 1
1 925 . 6 1 1 A 86 86 ASP H H 425 7.962 8.014 -0.052 1
1 926 . 6 1 1 A 86 86 ASP HA H 425 4.525 4.697 -0.172 1
1 929 . 6 1 1 A 86 86 ASP CA C 425 51.567 53.089 -1.522 1
1 930 . 6 1 1 A 86 86 ASP CB C 425 39.585 41.628 -2.043 1
1 931 . 6 1 1 A 86 86 ASP N N 425 116.612 116.020 0.592 1
1 932 . 6 1 1 A 87 87 CYS H H 426 6.974 6.972 0.002 1
1 933 . 6 1 1 A 87 87 CYS HA H 426 4.247 4.454 -0.207 1
1 936 . 6 1 1 A 87 87 CYS CA C 426 57.558 57.781 -0.223 1
1 937 . 6 1 1 A 87 87 CYS CB C 426 31.291 28.662 2.629 1
1 938 . 6 1 1 A 87 87 CYS N N 426 122.276 120.511 1.765 1
1 939 . 6 1 1 A 88 88 PRO HA H 427 4.445 4.337 0.108 1
1 944 . 6 1 1 A 88 88 PRO CA C 427 64.009 65.685 -1.676 1
1 945 . 6 1 1 A 88 88 PRO CB C 427 32.558 31.765 0.793 1
1 947 . 6 1 1 A 89 89 VAL H H 428 8.460 7.269 1.191 1
1 948 . 6 1 1 A 89 89 VAL HA H 428 3.719 3.756 -0.037 1
1 956 . 6 1 1 A 89 89 VAL CA C 428 65.622 65.582 0.040 1
1 957 . 6 1 1 A 89 89 VAL CB C 428 33.134 31.657 1.477 1
1 960 . 6 1 1 A 89 89 VAL N N 428 119.822 115.737 4.085 1
1 961 . 6 1 1 A 90 90 CYS H H 429 8.729 8.169 0.560 1
1 962 . 6 1 1 A 90 90 CYS HA H 429 4.225 4.253 -0.028 1
1 965 . 6 1 1 A 90 90 CYS CA C 429 63.779 62.515 1.264 1
1 966 . 6 1 1 A 90 90 CYS CB C 429 31.291 26.669 4.622 1
1 967 . 6 1 1 A 90 90 CYS N N 429 118.878 117.702 1.176 1
1 968 . 6 1 1 A 91 91 LEU H H 430 7.907 8.196 -0.289 1
1 969 . 6 1 1 A 91 91 LEU HA H 430 4.214 4.079 0.135 1
1 979 . 6 1 1 A 91 91 LEU CA C 430 60.323 60.308 0.015 1
1 980 . 6 1 1 A 91 91 LEU CB C 430 39.125 39.930 -0.805 1
1 984 . 6 1 1 A 91 91 LEU N N 430 118.878 123.285 -4.407 1
1 985 . 6 1 1 A 92 92 PRO HA H 431 4.460 4.353 0.107 1
1 992 . 6 1 1 A 92 92 PRO CA C 431 65.161 65.856 -0.695 1
1 993 . 6 1 1 A 92 92 PRO CB C 431 31.291 30.730 0.561 1
1 996 . 6 1 1 A 93 93 LEU H H 432 7.459 7.417 0.042 1
1 997 . 6 1 1 A 93 93 LEU HA H 432 4.359 3.884 0.475 1
1 1007 . 6 1 1 A 93 93 LEU CA C 432 55.945 57.428 -1.483 1
1 1008 . 6 1 1 A 93 93 LEU CB C 432 42.350 41.004 1.346 1
1 1012 . 6 1 1 A 93 93 LEU N N 432 115.290 116.631 -1.341 1
1 1013 . 6 1 1 A 94 94 LYS H H 433 7.975 8.470 -0.495 1
1 1014 . 6 1 1 A 94 94 LYS HA H 433 4.390 4.317 0.073 1
1 1022 . 6 1 1 A 94 94 LYS CA C 433 57.558 59.561 -2.003 1
1 1023 . 6 1 1 A 94 94 LYS CB C 433 33.134 32.007 1.127 1
1 1027 . 6 1 1 A 94 94 LYS N N 433 119.255 118.224 1.031 1
1 1028 . 6 1 1 A 95 95 ASN H H 434 8.368 8.050 0.318 1
1 1029 . 6 1 1 A 95 95 ASN HA H 434 4.733 4.549 0.184 1
1 1034 . 6 1 1 A 95 95 ASN CA C 434 53.410 56.066 -2.656 1
1 1035 . 6 1 1 A 95 95 ASN CB C 434 38.894 38.507 0.387 1
1 1036 . 6 1 1 A 95 95 ASN N N 434 117.934 118.172 -0.238 1
1 1038 . 6 1 1 A 96 96 ALA H H 435 8.040 8.629 -0.589 1
1 1039 . 6 1 1 A 96 96 ALA HA H 435 4.376 4.033 0.343 1
1 1043 . 6 1 1 A 96 96 ALA CA C 435 52.949 55.301 -2.352 1
1 1044 . 6 1 1 A 96 96 ALA CB C 435 19.310 18.598 0.712 1
1 1045 . 6 1 1 A 96 96 ALA N N 435 123.221 123.587 -0.366 1
1 1046 . 6 1 1 A 97 97 SER H H 436 8.138 8.241 -0.103 1
1 1047 . 6 1 1 A 97 97 SER HA H 436 4.450 4.438 0.012 1
1 1050 . 6 1 1 A 97 97 SER CA C 436 58.710 60.164 -1.454 1
1 1051 . 6 1 1 A 97 97 SER CB C 436 63.779 63.292 0.487 1
1 1052 . 6 1 1 A 97 97 SER N N 436 113.591 112.162 1.429 1
1 1053 . 6 1 1 A 98 98 ASP H H 437 8.214 8.374 -0.160 1
1 1054 . 6 1 1 A 98 98 ASP HA H 437 4.662 5.018 -0.356 1
1 1057 . 6 1 1 A 98 98 ASP CA C 437 54.332 55.569 -1.237 1
1 1058 . 6 1 1 A 98 98 ASP CB C 437 41.198 44.175 -2.977 1
1 1059 . 6 1 1 A 98 98 ASP N N 437 121.521 121.083 0.438 1
1 1060 . 6 1 1 A 99 99 LYS H H 438 8.062 8.203 -0.141 1
1 1061 . 6 1 1 A 99 99 LYS HA H 438 4.363 4.541 -0.178 1
1 1070 . 6 1 1 A 99 99 LYS CA C 438 55.945 55.278 0.667 1
1 1071 . 6 1 1 A 99 99 LYS CB C 438 32.720 33.042 -0.322 1
1 1075 . 6 1 1 A 99 99 LYS N N 438 121.144 118.592 2.552 1
1 1092 . 6 2 2 B 2 2 SER HA H 783 4.524 4.270 0.254 1
1 1095 . 6 2 2 B 2 2 SER CA C 783 58.053 61.332 -3.279 1
1 1096 . 6 2 2 B 2 2 SER CB C 783 64.502 63.024 1.478 1
1 1097 . 6 2 2 B 3 3 HIS HA H 784 4.721 4.266 0.455 1
1 1102 . 6 2 2 B 3 3 HIS CA C 784 55.750 58.161 -2.411 1
1 1103 . 6 2 2 B 3 3 HIS CB C 784 30.167 30.233 -0.066 1
1 1106 . 6 2 2 B 4 4 MET HA H 785 4.495 4.744 -0.249 1
1 1114 . 6 2 2 B 4 4 MET CA C 785 55.058 54.316 0.742 1
1 1115 . 6 2 2 B 4 4 MET CB C 785 32.727 36.018 -3.291 1
1 1118 . 6 2 2 B 5 5 VAL H H 786 8.163 8.687 -0.524 1
1 1119 . 6 2 2 B 5 5 VAL HA H 786 4.464 4.930 -0.466 1
1 1127 . 6 2 2 B 5 5 VAL CA C 786 59.478 57.696 1.782 1
1 1128 . 6 2 2 B 5 5 VAL CB C 786 32.606 34.401 -1.795 1
1 1131 . 6 2 2 B 5 5 VAL N N 786 122.854 117.100 5.754 1
1 1132 . 6 2 2 B 6 6 PRO HA H 787 4.437 4.595 -0.158 1
1 1137 . 6 2 2 B 6 6 PRO CA C 787 62.667 62.232 0.435 1
1 1138 . 6 2 2 B 6 6 PRO CB C 787 32.010 32.545 -0.535 1
1 1140 . 6 2 2 B 7 7 GLU H H 788 8.306 8.546 -0.240 1
1 1141 . 6 2 2 B 7 7 GLU HA H 788 4.654 4.306 0.348 1
1 1146 . 6 2 2 B 7 7 GLU CA C 788 53.568 54.752 -1.184 1
1 1147 . 6 2 2 B 7 7 GLU CB C 788 30.011 30.641 -0.630 1
1 1149 . 6 2 2 B 7 7 GLU N N 788 123.231 121.247 1.984 1
1 1150 . 6 2 2 B 8 8 PRO HA H 789 4.490 4.502 -0.012 1
1 1157 . 6 2 2 B 8 8 PRO CA C 789 62.253 62.830 -0.577 1
1 1158 . 6 2 2 B 8 8 PRO CB C 789 32.483 32.018 0.465 1
1 1161 . 6 2 2 B 9 9 ASP H H 790 8.272 8.442 -0.170 1
1 1162 . 6 2 2 B 9 9 ASP HA H 790 4.456 4.630 -0.174 1
1 1165 . 6 2 2 B 9 9 ASP CA C 790 54.137 54.093 0.044 1
1 1166 . 6 2 2 B 9 9 ASP CB C 790 41.016 40.408 0.608 1
1 1167 . 6 2 2 B 9 9 ASP N N 790 118.511 120.505 -1.994 1
1 1168 . 6 2 2 B 10 10 LEU H H 791 8.463 8.328 0.135 1
1 1169 . 6 2 2 B 10 10 LEU HA H 791 4.356 4.325 0.031 1
1 1179 . 6 2 2 B 10 10 LEU CA C 791 52.531 53.332 -0.801 1
1 1180 . 6 2 2 B 10 10 LEU CB C 791 42.609 43.153 -0.544 1
1 1184 . 6 2 2 B 10 10 LEU N N 791 121.343 126.938 -5.595 1
1 1185 . 6 2 2 B 11 11 PRO HA H 792 4.553 4.486 0.067 1
1 1192 . 6 2 2 B 11 11 PRO CA C 792 62.788 63.246 -0.458 1
1 1193 . 6 2 2 B 11 11 PRO CB C 792 32.716 32.088 0.628 1
1 1196 . 6 2 2 B 12 12 HIS HA H 793 3.989 4.210 -0.221 1
1 1201 . 6 2 2 B 12 12 HIS CA C 793 60.326 58.995 1.331 1
1 1202 . 6 2 2 B 12 12 HIS CB C 793 30.803 28.918 1.885 1
1 1205 . 6 2 2 B 13 13 ASP H H 794 8.938 8.246 0.692 1
1 1206 . 6 2 2 B 13 13 ASP HA H 794 4.460 4.240 0.220 1
1 1209 . 6 2 2 B 13 13 ASP CA C 794 54.581 56.682 -2.101 1
1 1210 . 6 2 2 B 13 13 ASP CB C 794 38.061 39.394 -1.333 1
1 1211 . 6 2 2 B 13 13 ASP N N 794 114.734 119.960 -5.226 1
1 1212 . 6 2 2 B 14 14 LEU H H 795 7.674 7.688 -0.014 1
1 1213 . 6 2 2 B 14 14 LEU HA H 795 4.546 4.228 0.318 1
1 1223 . 6 2 2 B 14 14 LEU CA C 795 53.478 56.367 -2.889 1
1 1224 . 6 2 2 B 14 14 LEU CB C 795 43.597 42.008 1.589 1
1 1228 . 6 2 2 B 14 14 LEU N N 795 116.056 119.775 -3.719 1
1 1229 . 6 2 2 B 15 15 ARG H H 796 7.225 8.317 -1.092 1
1 1230 . 6 2 2 B 15 15 ARG HA H 796 3.809 3.889 -0.080 1
1 1237 . 6 2 2 B 15 15 ARG CA C 796 58.744 59.669 -0.925 1
1 1238 . 6 2 2 B 15 15 ARG CB C 796 30.413 29.901 0.512 1
1 1241 . 6 2 2 B 15 15 ARG N N 796 116.434 119.301 -2.867 1
1 1242 . 6 2 2 B 16 16 HIS HA H 797 4.703 4.492 0.211 1
1 1247 . 6 2 2 B 16 16 HIS CA C 797 55.289 58.834 -3.545 1
1 1248 . 6 2 2 B 16 16 HIS CB C 797 29.538 29.958 -0.420 1
1 1251 . 6 2 2 B 17 17 LEU H H 798 6.982 7.368 -0.386 1
1 1252 . 6 2 2 B 17 17 LEU HA H 798 4.071 4.088 -0.017 1
1 1262 . 6 2 2 B 17 17 LEU CA C 798 54.807 55.447 -0.640 1
1 1263 . 6 2 2 B 17 17 LEU CB C 798 42.206 42.171 0.035 1
1 1267 . 6 2 2 B 17 17 LEU N N 798 120.399 120.342 0.057 1
1 1268 . 6 2 2 B 18 18 ASN H H 799 8.789 8.639 0.150 1
1 1269 . 6 2 2 B 18 18 ASN HA H 799 4.857 4.848 0.009 1
1 1274 . 6 2 2 B 18 18 ASN CA C 799 52.166 52.695 -0.529 1
1 1275 . 6 2 2 B 18 18 ASN CB C 799 37.842 38.378 -0.536 1
1 1276 . 6 2 2 B 18 18 ASN N N 799 121.343 123.161 -1.818 1
1 1278 . 6 2 2 B 19 19 THR H H 800 8.585 8.583 0.002 1
1 1279 . 6 2 2 B 19 19 THR HA H 800 4.522 4.349 0.173 1
1 1284 . 6 2 2 B 19 19 THR CA C 800 62.143 63.510 -1.367 1
1 1285 . 6 2 2 B 19 19 THR CB C 800 68.865 68.939 -0.074 1
1 1287 . 6 2 2 B 19 19 THR N N 800 115.301 118.220 -2.919 1
1 1288 . 6 2 2 B 20 20 GLU H H 801 8.415 8.142 0.273 1
1 1289 . 6 2 2 B 20 20 GLU HA H 801 4.337 4.125 0.212 1
1 1294 . 6 2 2 B 20 20 GLU CA C 801 61.496 62.079 -0.583 1
1 1295 . 6 2 2 B 20 20 GLU CB C 801 26.493 28.111 -1.618 1
1 1297 . 6 2 2 B 20 20 GLU N N 801 125.119 122.971 2.148 1
1 1298 . 6 2 2 B 21 21 PRO HA H 802 4.422 4.310 0.112 1
1 1305 . 6 2 2 B 21 21 PRO CA C 802 64.520 65.091 -0.571 1
1 1306 . 6 2 2 B 21 21 PRO CB C 802 31.355 30.774 0.581 1
1 1309 . 6 2 2 B 22 22 MET H H 803 7.303 7.636 -0.333 1
1 1310 . 6 2 2 B 22 22 MET HA H 803 4.062 3.945 0.117 1
1 1318 . 6 2 2 B 22 22 MET CA C 803 55.686 57.708 -2.022 1
1 1319 . 6 2 2 B 22 22 MET CB C 803 33.481 31.776 1.705 1
1 1322 . 6 2 2 B 22 22 MET N N 803 110.769 116.034 -5.265 1
1 1323 . 6 2 2 B 23 23 GLU H H 804 7.624 7.705 -0.081 1
1 1324 . 6 2 2 B 23 23 GLU HA H 804 3.918 3.947 -0.029 1
1 1329 . 6 2 2 B 23 23 GLU CA C 804 59.221 59.182 0.039 1
1 1330 . 6 2 2 B 23 23 GLU CB C 804 28.993 29.358 -0.365 1
1 1332 . 6 2 2 B 23 23 GLU N N 804 118.699 118.287 0.412 1
1 1333 . 6 2 2 B 24 24 ILE H H 805 6.626 6.666 -0.040 1
1 1334 . 6 2 2 B 24 24 ILE HA H 805 3.999 3.747 0.252 1
1 1344 . 6 2 2 B 24 24 ILE CA C 805 62.734 63.913 -1.179 1
1 1345 . 6 2 2 B 24 24 ILE CB C 805 37.574 36.922 0.652 1
1 1349 . 6 2 2 B 24 24 ILE N N 805 111.524 116.149 -4.625 1
1 1350 . 6 2 2 B 25 25 PHE H H 806 7.515 7.598 -0.083 1
1 1351 . 6 2 2 B 25 25 PHE HA H 806 4.524 4.400 0.124 1
1 1358 . 6 2 2 B 25 25 PHE CA C 806 55.760 61.684 -5.924 1
1 1359 . 6 2 2 B 25 25 PHE CB C 806 38.464 38.248 0.216 1
1 1362 . 6 2 2 B 25 25 PHE N N 806 118.322 121.030 -2.708 1
1 1363 . 6 2 2 B 26 26 ARG H H 807 7.368 8.038 -0.670 1
1 1364 . 6 2 2 B 26 26 ARG HA H 807 4.024 4.107 -0.083 1
1 1371 . 6 2 2 B 26 26 ARG CA C 807 58.864 58.836 0.028 1
1 1372 . 6 2 2 B 26 26 ARG CB C 807 30.872 29.997 0.875 1
1 1375 . 6 2 2 B 26 26 ARG N N 807 118.888 121.441 -2.553 1
1 1376 . 6 2 2 B 27 27 ASN H H 808 8.877 8.000 0.877 1
1 1377 . 6 2 2 B 27 27 ASN HA H 808 4.732 5.002 -0.270 1
1 1382 . 6 2 2 B 27 27 ASN CA C 808 53.413 52.188 1.225 1
1 1383 . 6 2 2 B 27 27 ASN CB C 808 38.244 39.529 -1.285 1
1 1384 . 6 2 2 B 27 27 ASN N N 808 117.000 117.403 -0.403 1
1 1386 . 6 2 2 B 28 28 SER H H 809 7.969 7.958 0.011 1
1 1387 . 6 2 2 B 28 28 SER HA H 809 4.440 4.784 -0.344 1
1 1390 . 6 2 2 B 28 28 SER CA C 809 60.606 57.851 2.755 1
1 1391 . 6 2 2 B 28 28 SER CB C 809 64.021 64.400 -0.379 1
1 1392 . 6 2 2 B 28 28 SER N N 809 114.356 117.482 -3.126 1
1 1393 . 6 2 2 B 29 29 VAL HA H 810 4.304 4.758 -0.454 1
1 1401 . 6 2 2 B 29 29 VAL CA C 810 60.803 60.265 0.538 1
1 1402 . 6 2 2 B 29 29 VAL CB C 810 34.232 36.749 -2.517 1
1 1405 . 6 2 2 B 30 30 LYS H H 811 8.707 8.501 0.206 1
1 1406 . 6 2 2 B 30 30 LYS HA H 811 4.552 4.714 -0.162 1
1 1415 . 6 2 2 B 30 30 LYS CA C 811 55.058 54.836 0.222 1
1 1416 . 6 2 2 B 30 30 LYS CB C 811 31.782 32.826 -1.044 1
1 1420 . 6 2 2 B 30 30 LYS N N 811 127.196 124.200 2.996 1
1 1421 . 6 2 2 B 31 31 ILE H H 812 8.604 8.379 0.225 1
1 1422 . 6 2 2 B 31 31 ILE HA H 812 3.662 3.751 -0.089 1
1 1432 . 6 2 2 B 31 31 ILE CA C 812 64.066 64.836 -0.770 1
1 1433 . 6 2 2 B 31 31 ILE CB C 812 37.726 37.727 -0.001 1
1 1437 . 6 2 2 B 31 31 ILE N N 812 125.497 124.775 0.722 1
1 1438 . 6 2 2 B 32 32 GLU H H 813 9.330 8.250 1.080 1
1 1439 . 6 2 2 B 32 32 GLU HA H 813 4.162 4.149 0.013 1
1 1444 . 6 2 2 B 32 32 GLU CA C 813 58.096 58.173 -0.077 1
1 1445 . 6 2 2 B 32 32 GLU CB C 813 28.834 30.212 -1.378 1
1 1447 . 6 2 2 B 32 32 GLU N N 813 118.888 119.434 -0.546 1
1 1448 . 6 2 2 B 33 33 GLU H H 814 7.742 7.846 -0.104 1
1 1449 . 6 2 2 B 33 33 GLU HA H 814 4.334 4.417 -0.083 1
1 1454 . 6 2 2 B 33 33 GLU CA C 814 56.441 57.362 -0.921 1
1 1455 . 6 2 2 B 33 33 GLU CB C 814 30.396 30.426 -0.030 1
1 1457 . 6 2 2 B 33 33 GLU N N 814 117.566 117.566 0.000 1
1 1458 . 6 2 2 B 34 34 ILE H H 815 7.598 7.550 0.048 1
1 1459 . 6 2 2 B 34 34 ILE HA H 815 4.216 3.929 0.287 1
1 1469 . 6 2 2 B 34 34 ILE CA C 815 61.047 64.463 -3.416 1
1 1470 . 6 2 2 B 34 34 ILE CB C 815 38.712 38.225 0.487 1
1 1474 . 6 2 2 B 34 34 ILE N N 815 117.566 118.105 -0.539 1
1 1475 . 6 2 2 B 35 35 MET H H 816 8.177 7.623 0.554 1
1 1476 . 6 2 2 B 35 35 MET HA H 816 4.733 4.627 0.106 1
1 1484 . 6 2 2 B 35 35 MET CA C 816 53.461 53.967 -0.506 1
1 1485 . 6 2 2 B 35 35 MET CB C 816 32.025 33.884 -1.859 1
1 1488 . 6 2 2 B 35 35 MET N N 816 122.665 121.666 0.999 1
1 1489 . 6 2 2 B 36 36 PRO HA H 817 4.743 4.445 0.298 1
1 1496 . 6 2 2 B 36 36 PRO CA C 817 62.542 63.623 -1.081 1
1 1497 . 6 2 2 B 36 36 PRO CB C 817 34.328 32.595 1.733 1
1 1500 . 6 2 2 B 37 37 ASN H H 818 8.374 8.190 0.184 1
1 1501 . 6 2 2 B 37 37 ASN HA H 818 4.752 4.428 0.324 1
1 1504 . 6 2 2 B 37 37 ASN CA C 818 52.995 53.961 -0.966 1
1 1505 . 6 2 2 B 37 37 ASN CB C 818 38.705 36.259 2.446 1
1 1506 . 6 2 2 B 37 37 ASN N N 818 117.378 117.307 0.071 1
1 1507 . 6 2 2 B 38 38 GLY H H 819 8.314 8.187 0.127 1
1 1508 . 6 2 2 B 38 38 GLY HA2 H 819 3.937 3.807 0.130 1
1 1509 . 6 2 2 B 38 38 GLY HA3 H 819 3.994 3.809 0.185 1
1 1510 . 6 2 2 B 38 38 GLY CA C 819 45.006 46.684 -1.678 1
1 1511 . 6 2 2 B 38 38 GLY N N 819 108.881 108.665 0.216 1
1 1512 . 6 2 2 B 39 39 ASP H H 820 8.157 7.999 0.158 1
1 1513 . 6 2 2 B 39 39 ASP HA H 820 4.939 5.080 -0.141 1
1 1516 . 6 2 2 B 39 39 ASP CA C 820 51.896 51.275 0.621 1
1 1517 . 6 2 2 B 39 39 ASP CB C 820 41.672 43.290 -1.618 1
1 1518 . 6 2 2 B 39 39 ASP N N 820 121.154 116.456 4.698 1
1 1519 . 6 2 2 B 40 40 PRO HA H 821 4.483 4.324 0.159 1
1 1526 . 6 2 2 B 40 40 PRO CA C 821 63.351 64.829 -1.478 1
1 1527 . 6 2 2 B 40 40 PRO CB C 821 32.066 32.126 -0.060 1
1 1530 . 6 2 2 B 41 41 LEU H H 822 8.440 7.571 0.869 1
1 1531 . 6 2 2 B 41 41 LEU HA H 822 4.262 4.079 0.183 1
1 1541 . 6 2 2 B 41 41 LEU CA C 822 55.539 57.014 -1.475 1
1 1542 . 6 2 2 B 41 41 LEU CB C 822 41.496 41.060 0.436 1
1 1546 . 6 2 2 B 41 41 LEU N N 822 119.644 116.870 2.774 1
1 1547 . 6 2 2 B 42 42 LEU H H 823 7.863 7.796 0.067 1
1 1548 . 6 2 2 B 42 42 LEU HA H 823 4.353 4.026 0.327 1
1 1558 . 6 2 2 B 42 42 LEU CA C 823 54.598 57.420 -2.822 1
1 1559 . 6 2 2 B 42 42 LEU CB C 823 42.025 41.521 0.504 1
1 1563 . 6 2 2 B 42 42 LEU N N 823 120.399 118.886 1.513 1
1 1564 . 6 2 2 B 43 43 ALA H H 824 8.022 7.881 0.141 1
1 1565 . 6 2 2 B 43 43 ALA HA H 824 4.330 4.052 0.278 1
1 1569 . 6 2 2 B 43 43 ALA CA C 824 52.539 55.287 -2.748 1
1 1570 . 6 2 2 B 43 43 ALA CB C 824 19.126 18.336 0.790 1
1 1571 . 6 2 2 B 43 43 ALA N N 824 123.420 121.832 1.588 1
1 1572 . 6 2 2 B 44 44 GLY H H 825 8.346 8.284 0.062 1
1 1573 . 6 2 2 B 44 44 GLY HA2 H 825 3.973 3.939 0.034 1
1 1574 . 6 2 2 B 44 44 GLY HA3 H 825 3.973 3.941 0.032 1
1 1575 . 6 2 2 B 44 44 GLY CA C 825 45.123 46.847 -1.724 1
1 1576 . 6 2 2 B 44 44 GLY N N 825 107.559 105.644 1.915 1
1 1577 . 6 2 2 B 45 45 GLN H H 826 8.204 7.830 0.374 1
1 1578 . 6 2 2 B 45 45 GLN HA H 826 4.377 4.450 -0.073 1
1 1585 . 6 2 2 B 45 45 GLN CA C 826 55.686 56.277 -0.591 1
1 1586 . 6 2 2 B 45 45 GLN CB C 826 29.376 30.962 -1.586 1
1 1588 . 6 2 2 B 45 45 GLN N N 826 119.266 117.626 1.640 1
1 1590 . 6 2 2 B 46 46 ASN H H 827 8.556 8.486 0.070 1
1 1591 . 6 2 2 B 46 46 ASN HA H 827 4.824 4.578 0.246 1
1 1596 . 6 2 2 B 46 46 ASN CA C 827 53.216 54.871 -1.655 1
1 1597 . 6 2 2 B 46 46 ASN CB C 827 38.759 38.535 0.224 1
1 1598 . 6 2 2 B 46 46 ASN N N 827 119.266 117.985 1.281 1
1 1600 . 6 2 2 B 47 47 THR H H 828 8.127 7.465 0.662 1
1 1601 . 6 2 2 B 47 47 THR HA H 828 4.414 4.394 0.020 1
1 1606 . 6 2 2 B 47 47 THR CA C 828 61.564 59.814 1.750 1
1 1607 . 6 2 2 B 47 47 THR CB C 828 69.507 70.411 -0.904 1
1 1609 . 6 2 2 B 47 47 THR N N 828 113.790 111.842 1.948 1
1 1610 . 6 2 2 B 48 48 VAL H H 829 8.140 8.229 -0.089 1
1 1611 . 6 2 2 B 48 48 VAL HA H 829 4.091 3.536 0.555 1
1 1619 . 6 2 2 B 48 48 VAL CA C 829 62.146 62.142 0.004 1
1 1620 . 6 2 2 B 48 48 VAL CB C 829 32.515 32.253 0.262 1
1 1623 . 6 2 2 B 48 48 VAL N N 829 120.776 122.539 -1.763 1
1 1624 . 6 2 2 B 49 49 ASP H H 830 8.287 8.657 -0.370 1
1 1625 . 6 2 2 B 49 49 ASP HA H 830 4.617 5.033 -0.416 1
1 1628 . 6 2 2 B 49 49 ASP CA C 830 54.308 52.642 1.666 1
1 1629 . 6 2 2 B 49 49 ASP CB C 830 41.241 44.487 -3.246 1
1 1630 . 6 2 2 B 49 49 ASP N N 830 123.042 123.343 -0.301 1
1 1631 . 6 2 2 B 50 50 GLU H H 831 8.242 9.098 -0.856 1
1 1632 . 6 2 2 B 50 50 GLU HA H 831 4.261 4.013 0.248 1
1 1637 . 6 2 2 B 50 50 GLU CA C 831 56.521 59.910 -3.389 1
1 1638 . 6 2 2 B 50 50 GLU CB C 831 30.209 29.079 1.130 1
1 1640 . 6 2 2 B 50 50 GLU N N 831 120.776 123.318 -2.542 1
1 1641 . 6 2 2 B 51 51 VAL H H 832 8.044 7.869 0.175 1
1 1642 . 6 2 2 B 51 51 VAL HA H 832 3.988 3.851 0.137 1
1 1650 . 6 2 2 B 51 51 VAL CA C 832 62.472 65.594 -3.122 1
1 1651 . 6 2 2 B 51 51 VAL CB C 832 32.278 31.273 1.005 1
1 1654 . 6 2 2 B 51 51 VAL N N 832 120.021 116.700 3.321 1
1 1655 . 6 2 2 B 52 52 TYR H H 833 8.148 7.882 0.266 1
1 1656 . 6 2 2 B 52 52 TYR HA H 833 4.598 4.241 0.357 1
1 1663 . 6 2 2 B 52 52 TYR CA C 833 57.743 61.485 -3.742 1
1 1664 . 6 2 2 B 52 52 TYR CB C 833 38.702 38.641 0.061 1
1 1667 . 6 2 2 B 52 52 TYR N N 833 122.854 123.543 -0.689 1
1 1668 . 6 2 2 B 53 53 VAL H H 834 7.868 7.039 0.829 1
1 1669 . 6 2 2 B 53 53 VAL HA H 834 4.114 4.568 -0.454 1
1 1677 . 6 2 2 B 53 53 VAL CA C 834 61.508 60.675 0.833 1
1 1678 . 6 2 2 B 53 53 VAL CB C 834 33.010 31.548 1.462 1
1 1681 . 6 2 2 B 53 53 VAL N N 834 121.721 111.019 10.702 1
1 1682 . 6 2 2 B 54 54 SER H H 835 8.237 8.142 0.095 1
1 1683 . 6 2 2 B 54 54 SER HA H 835 4.422 4.105 0.317 1
1 1686 . 6 2 2 B 54 54 SER CA C 835 57.823 59.527 -1.704 1
1 1687 . 6 2 2 B 54 54 SER CB C 835 63.437 61.133 2.304 1
1 1688 . 6 2 2 B 54 54 SER N N 835 119.077 115.955 3.122 1
1 1689 . 6 2 2 B 55 55 ARG H H 836 8.284 7.658 0.626 1
1 1690 . 6 2 2 B 55 55 ARG HA H 836 4.701 4.787 -0.086 1
1 1697 . 6 2 2 B 55 55 ARG CA C 836 53.601 52.923 0.678 1
1 1698 . 6 2 2 B 55 55 ARG CB C 836 30.394 32.305 -1.911 1
1 1701 . 6 2 2 B 55 55 ARG N N 836 123.798 121.134 2.664 1
1 1702 . 6 2 2 B 56 56 PRO HA H 837 4.485 4.457 0.028 1
1 1709 . 6 2 2 B 56 56 PRO CA C 837 63.351 64.290 -0.939 1
1 1710 . 6 2 2 B 56 56 PRO CB C 837 31.795 31.781 0.014 1
1 7 . 7 1 1 A 2 2 THR HA H 341 4.462 4.291 0.171 1
1 12 . 7 1 1 A 2 2 THR CA C 341 61.936 63.578 -1.642 1
1 13 . 7 1 1 A 2 2 THR CB C 341 69.770 69.145 0.625 1
1 15 . 7 1 1 A 3 3 GLY HA2 H 342 4.141 4.034 0.107 1
1 16 . 7 1 1 A 3 3 GLY HA3 H 342 4.238 4.034 0.204 1
1 17 . 7 1 1 A 3 3 GLY CA C 342 44.424 45.152 -0.728 1
1 18 . 7 1 1 A 4 4 PRO HA H 343 4.567 4.308 0.259 1
1 25 . 7 1 1 A 4 4 PRO CA C 343 63.088 64.906 -1.818 1
1 26 . 7 1 1 A 4 4 PRO CB C 343 32.443 31.709 0.734 1
1 29 . 7 1 1 A 5 5 THR H H 344 8.284 8.091 0.193 1
1 30 . 7 1 1 A 5 5 THR HA H 344 4.342 4.223 0.119 1
1 35 . 7 1 1 A 5 5 THR CA C 344 61.936 63.419 -1.483 1
1 36 . 7 1 1 A 5 5 THR CB C 344 69.539 68.804 0.735 1
1 38 . 7 1 1 A 5 5 THR N N 344 113.968 109.425 4.543 1
1 39 . 7 1 1 A 6 6 ALA H H 345 8.269 7.883 0.386 1
1 40 . 7 1 1 A 6 6 ALA HA H 345 4.434 4.523 -0.089 1
1 44 . 7 1 1 A 6 6 ALA CA C 345 52.028 51.458 0.570 1
1 45 . 7 1 1 A 6 6 ALA CB C 345 19.771 20.255 -0.484 1
1 46 . 7 1 1 A 6 6 ALA N N 345 126.619 123.038 3.581 1
1 47 . 7 1 1 A 7 7 ASP H H 346 8.454 7.310 1.144 1
1 48 . 7 1 1 A 7 7 ASP HA H 346 4.917 4.659 0.258 1
1 51 . 7 1 1 A 7 7 ASP CA C 346 52.719 51.949 0.770 1
1 52 . 7 1 1 A 7 7 ASP CB C 346 41.659 41.835 -0.176 1
1 53 . 7 1 1 A 7 7 ASP N N 346 120.766 121.624 -0.858 1
1 54 . 7 1 1 A 8 8 PRO HA H 347 4.398 4.306 0.092 1
1 61 . 7 1 1 A 8 8 PRO CA C 347 64.931 65.372 -0.441 1
1 62 . 7 1 1 A 8 8 PRO CB C 347 32.388 31.783 0.605 1
1 65 . 7 1 1 A 9 9 GLU H H 348 8.113 8.025 0.088 1
1 66 . 7 1 1 A 9 9 GLU HA H 348 4.154 4.091 0.063 1
1 71 . 7 1 1 A 9 9 GLU CB C 348 30.138 29.329 0.809 1
1 73 . 7 1 1 A 9 9 GLU N N 348 116.423 118.106 -1.683 1
1 74 . 7 1 1 A 10 10 LYS H H 349 7.699 8.246 -0.547 1
1 75 . 7 1 1 A 10 10 LYS HA H 349 3.982 3.979 0.003 1
1 84 . 7 1 1 A 10 10 LYS CA C 349 60.092 59.502 0.590 1
1 85 . 7 1 1 A 10 10 LYS CB C 349 32.558 32.185 0.373 1
1 89 . 7 1 1 A 10 10 LYS N N 349 119.255 119.874 -0.619 1
1 90 . 7 1 1 A 11 11 ARG H H 350 7.845 7.960 -0.115 1
1 91 . 7 1 1 A 11 11 ARG HA H 350 3.656 3.929 -0.273 1
1 98 . 7 1 1 A 11 11 ARG CA C 350 60.092 59.339 0.753 1
1 99 . 7 1 1 A 11 11 ARG CB C 350 28.295 30.065 -1.770 1
1 102 . 7 1 1 A 11 11 ARG N N 350 117.178 119.550 -2.372 1
1 103 . 7 1 1 A 12 12 LYS H H 351 7.888 7.771 0.117 1
1 104 . 7 1 1 A 12 12 LYS HA H 351 4.198 4.320 -0.122 1
1 109 . 7 1 1 A 12 12 LYS CA C 351 59.631 58.740 0.891 1
1 110 . 7 1 1 A 12 12 LYS CB C 351 32.673 32.031 0.642 1
1 112 . 7 1 1 A 12 12 LYS N N 351 117.745 119.590 -1.845 1
1 113 . 7 1 1 A 13 13 LEU H H 352 7.696 7.839 -0.143 1
1 114 . 7 1 1 A 13 13 LEU HA H 352 4.259 4.017 0.242 1
1 124 . 7 1 1 A 13 13 LEU CA C 352 58.019 57.932 0.087 1
1 125 . 7 1 1 A 13 13 LEU CB C 352 42.120 41.773 0.347 1
1 129 . 7 1 1 A 13 13 LEU N N 352 119.444 119.605 -0.161 1
1 130 . 7 1 1 A 14 14 ILE H H 353 7.831 7.606 0.225 1
1 131 . 7 1 1 A 14 14 ILE HA H 353 3.648 3.797 -0.149 1
1 141 . 7 1 1 A 14 14 ILE CA C 353 65.392 64.239 1.153 1
1 142 . 7 1 1 A 14 14 ILE CB C 353 38.203 37.507 0.696 1
1 146 . 7 1 1 A 14 14 ILE N N 353 118.311 115.816 2.495 1
1 147 . 7 1 1 A 15 15 GLN H H 354 8.178 7.932 0.246 1
1 148 . 7 1 1 A 15 15 GLN HA H 354 3.791 3.873 -0.082 1
1 155 . 7 1 1 A 15 15 GLN CA C 354 59.631 59.106 0.525 1
1 156 . 7 1 1 A 15 15 GLN CB C 354 30.369 28.152 2.217 1
1 158 . 7 1 1 A 15 15 GLN N N 354 116.423 121.055 -4.632 1
1 160 . 7 1 1 A 16 16 GLN H H 355 8.192 7.873 0.319 1
1 161 . 7 1 1 A 16 16 GLN HA H 355 3.799 4.097 -0.298 1
1 168 . 7 1 1 A 16 16 GLN CA C 355 59.171 58.981 0.190 1
1 169 . 7 1 1 A 16 16 GLN CB C 355 28.986 28.392 0.594 1
1 171 . 7 1 1 A 16 16 GLN N N 355 117.178 118.521 -1.343 1
1 173 . 7 1 1 A 17 17 GLN H H 356 7.970 7.678 0.292 1
1 174 . 7 1 1 A 17 17 GLN HA H 356 3.136 4.011 -0.875 1
1 181 . 7 1 1 A 17 17 GLN CA C 356 60.323 58.653 1.670 1
1 182 . 7 1 1 A 17 17 GLN CB C 356 27.143 28.176 -1.033 1
1 184 . 7 1 1 A 17 17 GLN N N 356 118.311 119.763 -1.452 1
1 186 . 7 1 1 A 18 18 LEU H H 357 8.408 8.200 0.208 1
1 187 . 7 1 1 A 18 18 LEU HA H 357 3.863 3.953 -0.090 1
1 197 . 7 1 1 A 18 18 LEU CA C 357 58.710 58.504 0.206 1
1 198 . 7 1 1 A 18 18 LEU CB C 357 40.968 41.825 -0.857 1
1 202 . 7 1 1 A 18 18 LEU N N 357 117.934 120.950 -3.016 1
1 203 . 7 1 1 A 19 19 VAL H H 358 8.544 8.114 0.430 1
1 204 . 7 1 1 A 19 19 VAL HA H 358 3.479 3.424 0.055 1
1 212 . 7 1 1 A 19 19 VAL CA C 358 66.544 66.897 -0.353 1
1 213 . 7 1 1 A 19 19 VAL CB C 358 31.060 31.229 -0.169 1
1 216 . 7 1 1 A 19 19 VAL N N 358 116.423 119.190 -2.767 1
1 217 . 7 1 1 A 20 20 LEU H H 359 7.820 8.008 -0.188 1
1 218 . 7 1 1 A 20 20 LEU HA H 359 3.952 3.957 -0.005 1
1 228 . 7 1 1 A 20 20 LEU CA C 359 58.019 58.027 -0.008 1
1 229 . 7 1 1 A 20 20 LEU CB C 359 42.696 41.263 1.433 1
1 233 . 7 1 1 A 20 20 LEU N N 359 120.955 120.093 0.862 1
1 234 . 7 1 1 A 21 21 LEU H H 360 8.278 7.941 0.337 1
1 235 . 7 1 1 A 21 21 LEU HA H 360 3.868 4.100 -0.232 1
1 245 . 7 1 1 A 21 21 LEU CA C 360 58.710 57.964 0.746 1
1 246 . 7 1 1 A 21 21 LEU CB C 360 42.811 41.554 1.257 1
1 250 . 7 1 1 A 21 21 LEU N N 360 121.144 119.657 1.487 1
1 251 . 7 1 1 A 22 22 LEU H H 361 8.331 8.139 0.192 1
1 252 . 7 1 1 A 22 22 LEU HA H 361 3.919 3.900 0.019 1
1 262 . 7 1 1 A 22 22 LEU CA C 361 57.788 58.093 -0.305 1
1 263 . 7 1 1 A 22 22 LEU CB C 361 41.083 41.250 -0.167 1
1 267 . 7 1 1 A 22 22 LEU N N 361 118.500 118.092 0.408 1
1 268 . 7 1 1 A 23 23 HIS H H 362 8.620 8.447 0.173 1
1 269 . 7 1 1 A 23 23 HIS HA H 362 4.114 4.276 -0.162 1
1 274 . 7 1 1 A 23 23 HIS CA C 362 60.323 59.626 0.697 1
1 275 . 7 1 1 A 23 23 HIS CB C 362 27.834 29.727 -1.893 1
1 278 . 7 1 1 A 23 23 HIS N N 362 117.934 118.075 -0.141 1
1 279 . 7 1 1 A 24 24 ALA H H 363 9.049 8.413 0.636 1
1 280 . 7 1 1 A 24 24 ALA HA H 363 3.954 3.984 -0.030 1
1 284 . 7 1 1 A 24 24 ALA CA C 363 55.253 55.139 0.114 1
1 285 . 7 1 1 A 24 24 ALA CB C 363 19.079 17.859 1.220 1
1 286 . 7 1 1 A 24 24 ALA N N 363 121.710 120.602 1.108 1
1 287 . 7 1 1 A 25 25 HIS H H 364 7.955 8.069 -0.114 1
1 288 . 7 1 1 A 25 25 HIS HA H 364 4.130 4.215 -0.085 1
1 293 . 7 1 1 A 25 25 HIS CA C 364 60.092 59.790 0.302 1
1 294 . 7 1 1 A 25 25 HIS CB C 364 31.060 29.762 1.298 1
1 297 . 7 1 1 A 25 25 HIS N N 364 115.856 118.223 -2.367 1
1 298 . 7 1 1 A 26 26 LYS H H 365 7.053 7.411 -0.358 1
1 299 . 7 1 1 A 26 26 LYS HA H 365 4.014 3.961 0.053 1
1 302 . 7 1 1 A 26 26 LYS CA C 365 57.788 59.022 -1.234 1
1 303 . 7 1 1 A 26 26 LYS CB C 365 32.903 31.929 0.974 1
1 304 . 7 1 1 A 26 26 LYS N N 365 117.178 118.778 -1.600 1
1 305 . 7 1 1 A 27 27 CYS H H 366 8.592 8.205 0.387 1
1 306 . 7 1 1 A 27 27 CYS HA H 366 3.741 3.975 -0.234 1
1 309 . 7 1 1 A 27 27 CYS CA C 366 62.396 62.462 -0.066 1
1 310 . 7 1 1 A 27 27 CYS CB C 366 29.678 26.701 2.977 1
1 311 . 7 1 1 A 27 27 CYS N N 366 123.976 119.285 4.691 1
1 312 . 7 1 1 A 28 28 GLN H H 367 8.349 8.346 0.003 1
1 313 . 7 1 1 A 28 28 GLN HA H 367 4.283 3.942 0.341 1
1 320 . 7 1 1 A 28 28 GLN CA C 367 57.327 59.128 -1.801 1
1 321 . 7 1 1 A 28 28 GLN CB C 367 29.217 28.347 0.870 1
1 323 . 7 1 1 A 28 28 GLN N N 367 119.444 119.859 -0.415 1
1 325 . 7 1 1 A 29 29 ARG H H 368 7.635 7.766 -0.131 1
1 326 . 7 1 1 A 29 29 ARG HA H 368 4.169 4.110 0.059 1
1 333 . 7 1 1 A 29 29 ARG CA C 368 57.558 58.930 -1.372 1
1 334 . 7 1 1 A 29 29 ARG CB C 368 29.908 30.197 -0.289 1
1 337 . 7 1 1 A 29 29 ARG N N 368 119.444 119.794 -0.350 1
1 338 . 7 1 1 A 30 30 ARG H H 369 8.018 8.106 -0.088 1
1 339 . 7 1 1 A 30 30 ARG HA H 369 4.260 3.914 0.346 1
1 346 . 7 1 1 A 30 30 ARG CA C 369 57.558 59.449 -1.891 1
1 347 . 7 1 1 A 30 30 ARG CB C 369 30.599 29.972 0.627 1
1 350 . 7 1 1 A 30 30 ARG N N 369 120.388 119.759 0.629 1
1 351 . 7 1 1 A 31 31 GLU H H 370 8.208 7.916 0.292 1
1 352 . 7 1 1 A 31 31 GLU HA H 370 4.236 4.042 0.194 1
1 357 . 7 1 1 A 31 31 GLU CA C 370 57.788 59.500 -1.712 1
1 358 . 7 1 1 A 31 31 GLU CB C 370 30.369 29.133 1.236 1
1 360 . 7 1 1 A 31 31 GLU N N 370 120.388 118.661 1.727 1
1 361 . 7 1 1 A 32 32 GLN H H 371 8.165 8.050 0.115 1
1 362 . 7 1 1 A 32 32 GLN HA H 371 4.313 4.079 0.234 1
1 367 . 7 1 1 A 32 32 GLN CA C 371 56.636 58.565 -1.929 1
1 368 . 7 1 1 A 32 32 GLN CB C 371 29.217 28.672 0.545 1
1 370 . 7 1 1 A 32 32 GLN N N 371 118.878 119.185 -0.307 1
1 371 . 7 1 1 A 33 33 ALA H H 372 8.095 8.282 -0.187 1
1 372 . 7 1 1 A 33 33 ALA HA H 372 4.327 4.065 0.262 1
1 376 . 7 1 1 A 33 33 ALA CA C 372 53.180 55.117 -1.937 1
1 377 . 7 1 1 A 33 33 ALA CB C 372 19.079 18.387 0.692 1
1 378 . 7 1 1 A 33 33 ALA N N 372 123.032 121.864 1.168 1
1 379 . 7 1 1 A 34 34 ASN H H 373 8.186 7.890 0.296 1
1 380 . 7 1 1 A 34 34 ASN HA H 373 4.735 4.728 0.007 1
1 383 . 7 1 1 A 34 34 ASN CA C 373 53.410 53.727 -0.317 1
1 384 . 7 1 1 A 34 34 ASN CB C 373 38.894 39.225 -0.331 1
1 385 . 7 1 1 A 34 34 ASN N N 373 115.479 116.341 -0.862 1
1 386 . 7 1 1 A 35 35 GLY H H 374 8.266 8.165 0.101 1
1 387 . 7 1 1 A 35 35 GLY HA2 H 374 3.943 3.879 0.064 1
1 388 . 7 1 1 A 35 35 GLY HA3 H 374 4.044 3.880 0.164 1
1 389 . 7 1 1 A 35 35 GLY CA C 374 45.576 45.755 -0.179 1
1 390 . 7 1 1 A 35 35 GLY N N 374 108.492 107.325 1.167 1
1 391 . 7 1 1 A 36 36 GLU H H 375 8.132 8.157 -0.025 1
1 392 . 7 1 1 A 36 36 GLU HA H 375 4.368 4.514 -0.146 1
1 397 . 7 1 1 A 36 36 GLU CA C 375 55.945 55.560 0.385 1
1 398 . 7 1 1 A 36 36 GLU CB C 375 30.369 31.386 -1.017 1
1 400 . 7 1 1 A 36 36 GLU N N 375 119.822 118.059 1.763 1
1 401 . 7 1 1 A 37 37 VAL H H 376 8.132 7.540 0.592 1
1 402 . 7 1 1 A 37 37 VAL HA H 376 4.139 4.498 -0.359 1
1 410 . 7 1 1 A 37 37 VAL CA C 376 62.166 59.995 2.171 1
1 411 . 7 1 1 A 37 37 VAL CB C 376 32.673 34.853 -2.180 1
1 414 . 7 1 1 A 37 37 VAL N N 376 121.144 119.144 2.000 1
1 415 . 7 1 1 A 38 38 ARG H H 377 8.455 8.465 -0.010 1
1 416 . 7 1 1 A 38 38 ARG HA H 377 4.392 4.651 -0.259 1
1 423 . 7 1 1 A 38 38 ARG CA C 377 55.253 55.356 -0.103 1
1 424 . 7 1 1 A 38 38 ARG CB C 377 31.060 31.451 -0.391 1
1 427 . 7 1 1 A 38 38 ARG N N 377 125.109 125.178 -0.069 1
1 428 . 7 1 1 A 39 39 ALA H H 378 8.384 7.453 0.931 1
1 429 . 7 1 1 A 39 39 ALA HA H 378 4.287 4.242 0.045 1
1 433 . 7 1 1 A 39 39 ALA CA C 378 52.028 52.588 -0.560 1
1 434 . 7 1 1 A 39 39 ALA CB C 378 19.540 19.487 0.053 1
1 435 . 7 1 1 A 39 39 ALA N N 378 126.053 123.366 2.687 1
1 436 . 7 1 1 A 40 40 CYS H H 379 8.480 8.838 -0.358 1
1 437 . 7 1 1 A 40 40 CYS HA H 379 4.344 4.887 -0.543 1
1 440 . 7 1 1 A 40 40 CYS CA C 379 60.092 57.811 2.281 1
1 441 . 7 1 1 A 40 40 CYS CB C 379 30.138 31.352 -1.214 1
1 442 . 7 1 1 A 40 40 CYS N N 379 123.787 119.867 3.920 1
1 443 . 7 1 1 A 41 41 SER HA H 380 4.588 4.688 -0.100 1
1 446 . 7 1 1 A 41 41 SER CA C 380 57.788 58.307 -0.519 1
1 447 . 7 1 1 A 41 41 SER CB C 380 63.779 65.407 -1.628 1
1 448 . 7 1 1 A 42 42 LEU H H 381 8.642 7.305 1.337 1
1 449 . 7 1 1 A 42 42 LEU HA H 381 4.488 4.324 0.164 1
1 459 . 7 1 1 A 42 42 LEU CA C 381 53.871 53.393 0.478 1
1 460 . 7 1 1 A 42 42 LEU CB C 381 41.659 42.089 -0.430 1
1 464 . 7 1 1 A 42 42 LEU N N 381 129.074 124.876 4.198 1
1 465 . 7 1 1 A 43 43 PRO HA H 382 4.095 4.138 -0.043 1
1 472 . 7 1 1 A 43 43 PRO CA C 382 64.470 64.586 -0.116 1
1 473 . 7 1 1 A 43 43 PRO CB C 382 31.751 31.501 0.250 1
1 476 . 7 1 1 A 44 44 HIS H H 383 8.014 8.050 -0.036 1
1 477 . 7 1 1 A 44 44 HIS HA H 383 4.527 4.959 -0.432 1
1 482 . 7 1 1 A 44 44 HIS CA C 383 58.249 55.108 3.141 1
1 483 . 7 1 1 A 44 44 HIS CB C 383 30.369 30.133 0.236 1
1 486 . 7 1 1 A 44 44 HIS N N 383 110.569 113.411 -2.842 1
1 487 . 7 1 1 A 45 45 CYS H H 384 7.729 7.781 -0.052 1
1 488 . 7 1 1 A 45 45 CYS HA H 384 4.023 3.924 0.099 1
1 491 . 7 1 1 A 45 45 CYS CA C 384 64.470 62.623 1.847 1
1 492 . 7 1 1 A 45 45 CYS CB C 384 28.756 26.640 2.116 1
1 493 . 7 1 1 A 45 45 CYS N N 384 124.165 120.791 3.374 1
1 494 . 7 1 1 A 46 46 ARG H H 385 8.239 8.099 0.140 1
1 495 . 7 1 1 A 46 46 ARG HA H 385 3.978 4.120 -0.142 1
1 502 . 7 1 1 A 46 46 ARG CA C 385 59.401 58.729 0.672 1
1 503 . 7 1 1 A 46 46 ARG CB C 385 28.986 29.974 -0.988 1
1 506 . 7 1 1 A 46 46 ARG N N 385 116.612 119.519 -2.907 1
1 507 . 7 1 1 A 47 47 THR H H 386 7.496 7.819 -0.323 1
1 508 . 7 1 1 A 47 47 THR HA H 386 4.008 3.898 0.110 1
1 513 . 7 1 1 A 47 47 THR CA C 386 65.853 67.028 -1.175 1
1 514 . 7 1 1 A 47 47 THR CB C 386 68.387 68.408 -0.021 1
1 516 . 7 1 1 A 47 47 THR N N 386 114.346 116.456 -2.110 1
1 517 . 7 1 1 A 48 48 MET H H 387 8.216 7.987 0.229 1
1 518 . 7 1 1 A 48 48 MET HA H 387 4.622 4.033 0.589 1
1 526 . 7 1 1 A 48 48 MET CA C 387 56.636 59.185 -2.549 1
1 527 . 7 1 1 A 48 48 MET CB C 387 31.291 32.987 -1.696 1
1 530 . 7 1 1 A 48 48 MET N N 387 119.444 118.346 1.098 1
1 531 . 7 1 1 A 49 49 LYS H H 388 9.306 8.213 1.093 1
1 532 . 7 1 1 A 49 49 LYS HA H 388 3.923 3.977 -0.054 1
1 541 . 7 1 1 A 49 49 LYS CA C 388 61.244 60.274 0.970 1
1 542 . 7 1 1 A 49 49 LYS CB C 388 32.903 32.367 0.536 1
1 546 . 7 1 1 A 49 49 LYS N N 388 122.276 118.027 4.249 1
1 547 . 7 1 1 A 50 50 ASN H H 389 8.069 8.047 0.022 1
1 548 . 7 1 1 A 50 50 ASN HA H 389 4.629 4.609 0.020 1
1 553 . 7 1 1 A 50 50 ASN CA C 389 56.175 56.161 0.014 1
1 554 . 7 1 1 A 50 50 ASN CB C 389 37.512 38.640 -1.128 1
1 555 . 7 1 1 A 50 50 ASN N N 389 117.178 118.120 -0.942 1
1 557 . 7 1 1 A 51 51 VAL H H 390 8.116 7.856 0.260 1
1 558 . 7 1 1 A 51 51 VAL HA H 390 3.803 3.681 0.122 1
1 566 . 7 1 1 A 51 51 VAL CA C 390 67.235 66.744 0.491 1
1 567 . 7 1 1 A 51 51 VAL CB C 390 31.751 31.596 0.155 1
1 570 . 7 1 1 A 51 51 VAL N N 390 123.598 120.179 3.419 1
1 571 . 7 1 1 A 52 52 LEU H H 391 8.735 8.524 0.211 1
1 572 . 7 1 1 A 52 52 LEU HA H 391 4.123 4.009 0.114 1
1 582 . 7 1 1 A 52 52 LEU CA C 391 58.479 58.372 0.107 1
1 583 . 7 1 1 A 52 52 LEU CB C 391 41.659 41.485 0.174 1
1 587 . 7 1 1 A 52 52 LEU N N 391 120.955 119.765 1.190 1
1 588 . 7 1 1 A 53 53 ASN H H 392 8.231 8.591 -0.360 1
1 589 . 7 1 1 A 53 53 ASN HA H 392 4.561 4.532 0.029 1
1 594 . 7 1 1 A 53 53 ASN CA C 392 56.175 56.437 -0.262 1
1 595 . 7 1 1 A 53 53 ASN CB C 392 38.433 38.726 -0.293 1
1 596 . 7 1 1 A 53 53 ASN N N 392 116.801 117.323 -0.522 1
1 598 . 7 1 1 A 54 54 HIS H H 393 8.049 8.342 -0.293 1
1 599 . 7 1 1 A 54 54 HIS HA H 393 4.418 4.338 0.080 1
1 604 . 7 1 1 A 54 54 HIS CA C 393 59.401 60.133 -0.732 1
1 605 . 7 1 1 A 54 54 HIS CB C 393 27.604 29.798 -2.194 1
1 608 . 7 1 1 A 54 54 HIS N N 393 120.011 119.664 0.347 1
1 609 . 7 1 1 A 55 55 MET H H 394 9.118 8.540 0.578 1
1 610 . 7 1 1 A 55 55 MET HA H 394 3.704 3.972 -0.268 1
1 618 . 7 1 1 A 55 55 MET CA C 394 59.401 58.332 1.069 1
1 619 . 7 1 1 A 55 55 MET CB C 394 34.286 32.385 1.901 1
1 622 . 7 1 1 A 55 55 MET N N 394 119.066 117.097 1.969 1
1 623 . 7 1 1 A 56 56 THR H H 395 7.521 7.861 -0.340 1
1 624 . 7 1 1 A 56 56 THR HA H 395 3.915 4.176 -0.261 1
1 629 . 7 1 1 A 56 56 THR CA C 395 65.392 63.748 1.644 1
1 630 . 7 1 1 A 56 56 THR CB C 395 69.309 67.850 1.459 1
1 632 . 7 1 1 A 56 56 THR N N 395 110.758 115.268 -4.510 1
1 633 . 7 1 1 A 57 57 HIS H H 396 7.023 7.842 -0.819 1
1 634 . 7 1 1 A 57 57 HIS HA H 396 4.846 4.700 0.146 1
1 639 . 7 1 1 A 57 57 HIS CA C 396 55.023 56.218 -1.195 1
1 640 . 7 1 1 A 57 57 HIS CB C 396 30.830 31.779 -0.949 1
1 643 . 7 1 1 A 57 57 HIS N N 396 115.668 116.154 -0.486 1
1 644 . 7 1 1 A 58 58 CYS H H 397 7.134 7.361 -0.227 1
1 645 . 7 1 1 A 58 58 CYS HA H 397 4.048 4.230 -0.182 1
1 648 . 7 1 1 A 58 58 CYS CA C 397 60.784 59.983 0.801 1
1 649 . 7 1 1 A 58 58 CYS CB C 397 29.678 27.807 1.871 1
1 650 . 7 1 1 A 58 58 CYS N N 397 123.598 118.601 4.997 1
1 651 . 7 1 1 A 59 59 GLN HA H 398 4.710 4.682 0.028 1
1 656 . 7 1 1 A 59 59 GLN CA C 398 55.023 55.517 -0.494 1
1 657 . 7 1 1 A 59 59 GLN CB C 398 29.678 30.023 -0.345 1
1 659 . 7 1 1 A 60 60 ALA H H 399 8.689 7.496 1.193 1
1 660 . 7 1 1 A 60 60 ALA HA H 399 4.414 4.307 0.107 1
1 664 . 7 1 1 A 60 60 ALA CA C 399 52.949 51.919 1.030 1
1 665 . 7 1 1 A 60 60 ALA CB C 399 20.001 19.095 0.906 1
1 666 . 7 1 1 A 60 60 ALA N N 399 124.731 122.863 1.868 1
1 667 . 7 1 1 A 61 61 GLY H H 400 8.166 8.376 -0.210 1
1 668 . 7 1 1 A 61 61 GLY HA2 H 400 3.621 3.878 -0.257 1
1 669 . 7 1 1 A 61 61 GLY HA3 H 400 3.976 3.882 0.094 1
1 670 . 7 1 1 A 61 61 GLY CA C 400 46.267 46.971 -0.704 1
1 671 . 7 1 1 A 61 61 GLY N N 400 107.926 107.743 0.183 1
1 672 . 7 1 1 A 62 62 LYS HA H 401 4.138 4.257 -0.119 1
1 673 . 7 1 1 A 62 62 LYS CA C 401 58.479 57.654 0.825 1
1 674 . 7 1 1 A 63 63 ALA H H 402 7.671 7.814 -0.143 1
1 675 . 7 1 1 A 63 63 ALA HA H 402 4.448 4.497 -0.049 1
1 679 . 7 1 1 A 63 63 ALA CA C 402 51.336 51.263 0.073 1
1 680 . 7 1 1 A 63 63 ALA CB C 402 19.079 20.043 -0.964 1
1 681 . 7 1 1 A 63 63 ALA N N 402 119.444 120.169 -0.725 1
1 682 . 7 1 1 A 64 64 CYS H H 403 7.497 7.649 -0.152 1
1 683 . 7 1 1 A 64 64 CYS HA H 403 3.857 4.359 -0.502 1
1 686 . 7 1 1 A 64 64 CYS CA C 403 62.396 59.638 2.758 1
1 687 . 7 1 1 A 64 64 CYS CB C 403 29.908 28.475 1.433 1
1 688 . 7 1 1 A 64 64 CYS N N 403 121.899 118.507 3.392 1
1 689 . 7 1 1 A 65 65 GLN H H 404 9.025 8.714 0.311 1
1 690 . 7 1 1 A 65 65 GLN HA H 404 4.463 4.074 0.389 1
1 697 . 7 1 1 A 65 65 GLN CA C 404 55.673 57.511 -1.838 1
1 698 . 7 1 1 A 65 65 GLN CB C 404 29.332 28.838 0.494 1
1 700 . 7 1 1 A 65 65 GLN N N 404 128.885 125.561 3.324 1
1 702 . 7 1 1 A 66 66 VAL H H 405 9.337 7.237 2.100 1
1 703 . 7 1 1 A 66 66 VAL HA H 405 3.631 4.145 -0.514 1
1 711 . 7 1 1 A 66 66 VAL CA C 405 64.240 62.874 1.366 1
1 712 . 7 1 1 A 66 66 VAL CB C 405 30.830 31.048 -0.218 1
1 715 . 7 1 1 A 66 66 VAL N N 405 127.752 119.012 8.740 1
1 716 . 7 1 1 A 67 67 ALA H H 406 8.581 8.726 -0.145 1
1 717 . 7 1 1 A 67 67 ALA HA H 406 3.761 3.931 -0.170 1
1 721 . 7 1 1 A 67 67 ALA CA C 406 54.101 55.376 -1.275 1
1 722 . 7 1 1 A 67 67 ALA CB C 406 17.467 18.067 -0.600 1
1 723 . 7 1 1 A 67 67 ALA N N 406 133.983 130.209 3.774 1
1 724 . 7 1 1 A 68 68 HIS H H 407 8.099 7.631 0.468 1
1 725 . 7 1 1 A 68 68 HIS HA H 407 4.407 4.389 0.018 1
1 730 . 7 1 1 A 68 68 HIS CA C 407 57.327 58.979 -1.652 1
1 731 . 7 1 1 A 68 68 HIS CB C 407 29.447 29.534 -0.087 1
1 734 . 7 1 1 A 68 68 HIS N N 407 110.569 115.208 -4.639 1
1 735 . 7 1 1 A 69 69 CYS H H 408 8.086 8.137 -0.051 1
1 736 . 7 1 1 A 69 69 CYS HA H 408 4.163 4.061 0.102 1
1 739 . 7 1 1 A 69 69 CYS CA C 408 64.240 62.672 1.568 1
1 740 . 7 1 1 A 69 69 CYS CB C 408 29.908 26.849 3.059 1
1 741 . 7 1 1 A 69 69 CYS N N 408 126.619 118.450 8.169 1
1 742 . 7 1 1 A 70 70 ALA H H 409 8.728 7.564 1.164 1
1 743 . 7 1 1 A 70 70 ALA HA H 409 4.333 4.026 0.307 1
1 747 . 7 1 1 A 70 70 ALA CA C 409 55.253 55.464 -0.211 1
1 748 . 7 1 1 A 70 70 ALA CB C 409 17.697 18.344 -0.647 1
1 749 . 7 1 1 A 70 70 ALA N N 409 118.689 123.227 -4.538 1
1 750 . 7 1 1 A 71 71 SER H H 410 9.179 8.055 1.124 1
1 751 . 7 1 1 A 71 71 SER HA H 410 4.138 4.095 0.043 1
1 754 . 7 1 1 A 71 71 SER CA C 410 60.323 61.854 -1.531 1
1 755 . 7 1 1 A 71 71 SER CB C 410 61.244 63.010 -1.766 1
1 756 . 7 1 1 A 71 71 SER N N 410 114.535 113.902 0.633 1
1 757 . 7 1 1 A 72 72 SER H H 411 7.937 8.380 -0.443 1
1 758 . 7 1 1 A 72 72 SER HA H 411 4.048 4.232 -0.184 1
1 762 . 7 1 1 A 72 72 SER CA C 411 64.240 61.557 2.683 1
1 763 . 7 1 1 A 72 72 SER CB C 411 62.396 62.897 -0.501 1
1 764 . 7 1 1 A 72 72 SER N N 411 120.766 117.450 3.316 1
1 765 . 7 1 1 A 73 73 ARG H H 412 8.835 8.417 0.418 1
1 766 . 7 1 1 A 73 73 ARG HA H 412 3.855 3.976 -0.121 1
1 773 . 7 1 1 A 73 73 ARG CA C 412 60.323 59.798 0.525 1
1 774 . 7 1 1 A 73 73 ARG CB C 412 30.369 30.025 0.344 1
1 777 . 7 1 1 A 73 73 ARG N N 412 122.276 121.501 0.775 1
1 778 . 7 1 1 A 74 74 GLN H H 413 7.873 7.340 0.533 1
1 779 . 7 1 1 A 74 74 GLN HA H 413 4.182 4.165 0.017 1
1 786 . 7 1 1 A 74 74 GLN CA C 413 58.710 58.636 0.074 1
1 787 . 7 1 1 A 74 74 GLN CB C 413 29.447 28.520 0.927 1
1 789 . 7 1 1 A 74 74 GLN N N 413 118.689 118.560 0.129 1
1 791 . 7 1 1 A 75 75 ILE H H 414 8.754 8.394 0.360 1
1 792 . 7 1 1 A 75 75 ILE HA H 414 3.617 3.930 -0.313 1
1 802 . 7 1 1 A 75 75 ILE CA C 414 66.544 64.780 1.764 1
1 803 . 7 1 1 A 75 75 ILE CB C 414 38.664 37.817 0.847 1
1 807 . 7 1 1 A 75 75 ILE N N 414 121.710 119.881 1.829 1
1 808 . 7 1 1 A 76 76 ILE H H 415 8.856 8.359 0.497 1
1 809 . 7 1 1 A 76 76 ILE HA H 415 3.863 3.654 0.209 1
1 819 . 7 1 1 A 76 76 ILE CA C 415 64.701 65.358 -0.657 1
1 820 . 7 1 1 A 76 76 ILE CB C 415 37.051 37.682 -0.631 1
1 824 . 7 1 1 A 76 76 ILE N N 415 120.199 122.936 -2.737 1
1 825 . 7 1 1 A 77 77 SER H H 416 7.981 8.041 -0.060 1
1 826 . 7 1 1 A 77 77 SER HA H 416 4.153 4.154 -0.001 1
1 829 . 7 1 1 A 77 77 SER CA C 416 62.166 62.296 -0.130 1
1 830 . 7 1 1 A 77 77 SER CB C 416 62.627 63.107 -0.480 1
1 831 . 7 1 1 A 77 77 SER N N 416 114.346 116.346 -2.000 1
1 832 . 7 1 1 A 78 78 HIS H H 417 8.126 7.467 0.659 1
1 833 . 7 1 1 A 78 78 HIS HA H 417 4.154 4.446 -0.292 1
1 838 . 7 1 1 A 78 78 HIS CA C 417 60.553 59.593 0.960 1
1 839 . 7 1 1 A 78 78 HIS CB C 417 28.065 30.112 -2.047 1
1 842 . 7 1 1 A 78 78 HIS N N 417 118.878 121.363 -2.485 1
1 843 . 7 1 1 A 79 79 TRP H H 418 8.417 7.953 0.464 1
1 844 . 7 1 1 A 79 79 TRP HA H 418 4.451 4.242 0.209 1
1 853 . 7 1 1 A 79 79 TRP CA C 418 59.862 60.678 -0.816 1
1 854 . 7 1 1 A 79 79 TRP CB C 418 30.369 29.937 0.432 1
1 860 . 7 1 1 A 79 79 TRP N N 418 119.255 121.387 -2.132 1
1 862 . 7 1 1 A 80 80 LYS H H 419 8.412 8.017 0.395 1
1 863 . 7 1 1 A 80 80 LYS HA H 419 3.714 3.961 -0.247 1
1 872 . 7 1 1 A 80 80 LYS CA C 419 58.710 58.185 0.525 1
1 873 . 7 1 1 A 80 80 LYS CB C 419 32.673 32.121 0.552 1
1 877 . 7 1 1 A 80 80 LYS N N 419 115.101 117.763 -2.662 1
1 878 . 7 1 1 A 81 81 ASN H H 420 7.416 7.779 -0.363 1
1 879 . 7 1 1 A 81 81 ASN HA H 420 4.713 4.736 -0.023 1
1 884 . 7 1 1 A 81 81 ASN CA C 420 53.410 53.905 -0.495 1
1 885 . 7 1 1 A 81 81 ASN CB C 420 40.737 41.360 -0.623 1
1 886 . 7 1 1 A 81 81 ASN N N 420 113.968 114.924 -0.956 1
1 888 . 7 1 1 A 82 82 CYS H H 421 7.617 7.689 -0.072 1
1 889 . 7 1 1 A 82 82 CYS HA H 421 3.986 4.263 -0.277 1
1 892 . 7 1 1 A 82 82 CYS CA C 421 61.244 60.059 1.185 1
1 893 . 7 1 1 A 82 82 CYS CB C 421 28.756 27.887 0.869 1
1 894 . 7 1 1 A 82 82 CYS N N 421 124.354 118.449 5.905 1
1 895 . 7 1 1 A 83 83 THR H H 422 8.535 8.509 0.026 1
1 896 . 7 1 1 A 83 83 THR HA H 422 4.527 4.666 -0.139 1
1 901 . 7 1 1 A 83 83 THR CA C 422 60.553 61.163 -0.610 1
1 902 . 7 1 1 A 83 83 THR CB C 422 69.309 70.699 -1.390 1
1 904 . 7 1 1 A 83 83 THR N N 422 118.500 116.678 1.822 1
1 905 . 7 1 1 A 84 84 ARG HA H 423 4.448 4.093 0.355 1
1 912 . 7 1 1 A 84 84 ARG CA C 423 56.175 56.607 -0.432 1
1 913 . 7 1 1 A 84 84 ARG CB C 423 31.521 31.279 0.242 1
1 916 . 7 1 1 A 85 85 HIS HA H 424 4.391 4.494 -0.103 1
1 921 . 7 1 1 A 85 85 HIS CA C 424 58.479 57.867 0.612 1
1 922 . 7 1 1 A 85 85 HIS CB C 424 30.138 29.180 0.958 1
1 925 . 7 1 1 A 86 86 ASP H H 425 7.962 7.998 -0.036 1
1 926 . 7 1 1 A 86 86 ASP HA H 425 4.525 4.701 -0.176 1
1 929 . 7 1 1 A 86 86 ASP CA C 425 51.567 53.120 -1.553 1
1 930 . 7 1 1 A 86 86 ASP CB C 425 39.585 41.470 -1.885 1
1 931 . 7 1 1 A 86 86 ASP N N 425 116.612 115.999 0.613 1
1 932 . 7 1 1 A 87 87 CYS H H 426 6.974 6.957 0.017 1
1 933 . 7 1 1 A 87 87 CYS HA H 426 4.247 4.419 -0.172 1
1 936 . 7 1 1 A 87 87 CYS CA C 426 57.558 57.818 -0.260 1
1 937 . 7 1 1 A 87 87 CYS CB C 426 31.291 28.798 2.493 1
1 938 . 7 1 1 A 87 87 CYS N N 426 122.276 120.553 1.723 1
1 939 . 7 1 1 A 88 88 PRO HA H 427 4.445 4.296 0.149 1
1 944 . 7 1 1 A 88 88 PRO CA C 427 64.009 65.483 -1.474 1
1 945 . 7 1 1 A 88 88 PRO CB C 427 32.558 31.840 0.718 1
1 947 . 7 1 1 A 89 89 VAL H H 428 8.460 7.355 1.105 1
1 948 . 7 1 1 A 89 89 VAL HA H 428 3.719 3.773 -0.054 1
1 956 . 7 1 1 A 89 89 VAL CA C 428 65.622 65.683 -0.061 1
1 957 . 7 1 1 A 89 89 VAL CB C 428 33.134 31.721 1.413 1
1 960 . 7 1 1 A 89 89 VAL N N 428 119.822 115.701 4.121 1
1 961 . 7 1 1 A 90 90 CYS H H 429 8.729 8.209 0.520 1
1 962 . 7 1 1 A 90 90 CYS HA H 429 4.225 4.236 -0.011 1
1 965 . 7 1 1 A 90 90 CYS CA C 429 63.779 62.881 0.898 1
1 966 . 7 1 1 A 90 90 CYS CB C 429 31.291 26.944 4.347 1
1 967 . 7 1 1 A 90 90 CYS N N 429 118.878 117.732 1.146 1
1 968 . 7 1 1 A 91 91 LEU H H 430 7.907 8.217 -0.310 1
1 969 . 7 1 1 A 91 91 LEU HA H 430 4.214 4.080 0.134 1
1 979 . 7 1 1 A 91 91 LEU CA C 430 60.323 60.332 -0.009 1
1 980 . 7 1 1 A 91 91 LEU CB C 430 39.125 39.960 -0.835 1
1 984 . 7 1 1 A 91 91 LEU N N 430 118.878 123.191 -4.313 1
1 985 . 7 1 1 A 92 92 PRO HA H 431 4.460 4.350 0.110 1
1 992 . 7 1 1 A 92 92 PRO CA C 431 65.161 65.745 -0.584 1
1 993 . 7 1 1 A 92 92 PRO CB C 431 31.291 30.766 0.525 1
1 996 . 7 1 1 A 93 93 LEU H H 432 7.459 7.334 0.125 1
1 997 . 7 1 1 A 93 93 LEU HA H 432 4.359 3.868 0.491 1
1 1007 . 7 1 1 A 93 93 LEU CA C 432 55.945 57.342 -1.397 1
1 1008 . 7 1 1 A 93 93 LEU CB C 432 42.350 41.023 1.327 1
1 1012 . 7 1 1 A 93 93 LEU N N 432 115.290 115.975 -0.685 1
1 1013 . 7 1 1 A 94 94 LYS H H 433 7.975 8.511 -0.536 1
1 1014 . 7 1 1 A 94 94 LYS HA H 433 4.390 4.377 0.013 1
1 1022 . 7 1 1 A 94 94 LYS CA C 433 57.558 59.360 -1.802 1
1 1023 . 7 1 1 A 94 94 LYS CB C 433 33.134 32.322 0.812 1
1 1027 . 7 1 1 A 94 94 LYS N N 433 119.255 118.394 0.861 1
1 1028 . 7 1 1 A 95 95 ASN H H 434 8.368 8.028 0.340 1
1 1029 . 7 1 1 A 95 95 ASN HA H 434 4.733 4.662 0.071 1
1 1034 . 7 1 1 A 95 95 ASN CA C 434 53.410 56.163 -2.753 1
1 1035 . 7 1 1 A 95 95 ASN CB C 434 38.894 38.775 0.119 1
1 1036 . 7 1 1 A 95 95 ASN N N 434 117.934 116.200 1.734 1
1 1038 . 7 1 1 A 96 96 ALA H H 435 8.040 7.829 0.211 1
1 1039 . 7 1 1 A 96 96 ALA HA H 435 4.376 4.292 0.084 1
1 1043 . 7 1 1 A 96 96 ALA CA C 435 52.949 52.380 0.569 1
1 1044 . 7 1 1 A 96 96 ALA CB C 435 19.310 20.420 -1.110 1
1 1045 . 7 1 1 A 96 96 ALA N N 435 123.221 121.932 1.289 1
1 1046 . 7 1 1 A 97 97 SER H H 436 8.138 8.916 -0.778 1
1 1047 . 7 1 1 A 97 97 SER HA H 436 4.450 4.358 0.092 1
1 1050 . 7 1 1 A 97 97 SER CA C 436 58.710 59.391 -0.681 1
1 1051 . 7 1 1 A 97 97 SER CB C 436 63.779 61.054 2.725 1
1 1052 . 7 1 1 A 97 97 SER N N 436 113.591 116.268 -2.677 1
1 1053 . 7 1 1 A 98 98 ASP H H 437 8.214 8.467 -0.253 1
1 1054 . 7 1 1 A 98 98 ASP HA H 437 4.662 4.369 0.293 1
1 1057 . 7 1 1 A 98 98 ASP CA C 437 54.332 55.499 -1.167 1
1 1058 . 7 1 1 A 98 98 ASP CB C 437 41.198 40.591 0.607 1
1 1059 . 7 1 1 A 98 98 ASP N N 437 121.521 120.732 0.789 1
1 1060 . 7 1 1 A 99 99 LYS H H 438 8.062 7.607 0.455 1
1 1061 . 7 1 1 A 99 99 LYS HA H 438 4.363 4.297 0.066 1
1 1070 . 7 1 1 A 99 99 LYS CA C 438 55.945 57.743 -1.798 1
1 1071 . 7 1 1 A 99 99 LYS CB C 438 32.720 32.973 -0.253 1
1 1075 . 7 1 1 A 99 99 LYS N N 438 121.144 119.766 1.378 1
1 1092 . 7 2 2 B 2 2 SER HA H 783 4.524 4.670 -0.146 1
1 1095 . 7 2 2 B 2 2 SER CA C 783 58.053 56.922 1.131 1
1 1096 . 7 2 2 B 2 2 SER CB C 783 64.502 66.048 -1.546 1
1 1097 . 7 2 2 B 3 3 HIS HA H 784 4.721 4.516 0.205 1
1 1102 . 7 2 2 B 3 3 HIS CA C 784 55.750 57.363 -1.613 1
1 1103 . 7 2 2 B 3 3 HIS CB C 784 30.167 29.887 0.280 1
1 1106 . 7 2 2 B 4 4 MET HA H 785 4.495 4.456 0.039 1
1 1114 . 7 2 2 B 4 4 MET CA C 785 55.058 55.285 -0.227 1
1 1115 . 7 2 2 B 4 4 MET CB C 785 32.727 32.839 -0.112 1
1 1118 . 7 2 2 B 5 5 VAL H H 786 8.163 8.334 -0.171 1
1 1119 . 7 2 2 B 5 5 VAL HA H 786 4.464 4.369 0.095 1
1 1127 . 7 2 2 B 5 5 VAL CA C 786 59.478 60.867 -1.389 1
1 1128 . 7 2 2 B 5 5 VAL CB C 786 32.606 31.878 0.728 1
1 1131 . 7 2 2 B 5 5 VAL N N 786 122.854 122.080 0.774 1
1 1132 . 7 2 2 B 6 6 PRO HA H 787 4.437 4.733 -0.296 1
1 1137 . 7 2 2 B 6 6 PRO CA C 787 62.667 62.618 0.049 1
1 1138 . 7 2 2 B 6 6 PRO CB C 787 32.010 32.047 -0.037 1
1 1140 . 7 2 2 B 7 7 GLU H H 788 8.306 8.935 -0.629 1
1 1141 . 7 2 2 B 7 7 GLU HA H 788 4.654 4.592 0.062 1
1 1146 . 7 2 2 B 7 7 GLU CA C 788 53.568 54.323 -0.755 1
1 1147 . 7 2 2 B 7 7 GLU CB C 788 30.011 32.586 -2.575 1
1 1149 . 7 2 2 B 7 7 GLU N N 788 123.231 122.554 0.677 1
1 1150 . 7 2 2 B 8 8 PRO HA H 789 4.490 4.546 -0.056 1
1 1157 . 7 2 2 B 8 8 PRO CA C 789 62.253 62.697 -0.444 1
1 1158 . 7 2 2 B 8 8 PRO CB C 789 32.483 32.401 0.082 1
1 1161 . 7 2 2 B 9 9 ASP H H 790 8.272 8.533 -0.261 1
1 1162 . 7 2 2 B 9 9 ASP HA H 790 4.456 4.631 -0.175 1
1 1165 . 7 2 2 B 9 9 ASP CA C 790 54.137 54.283 -0.146 1
1 1166 . 7 2 2 B 9 9 ASP CB C 790 41.016 40.661 0.355 1
1 1167 . 7 2 2 B 9 9 ASP N N 790 118.511 120.163 -1.652 1
1 1168 . 7 2 2 B 10 10 LEU H H 791 8.463 8.258 0.205 1
1 1169 . 7 2 2 B 10 10 LEU HA H 791 4.356 4.359 -0.003 1
1 1179 . 7 2 2 B 10 10 LEU CA C 791 52.531 53.390 -0.859 1
1 1180 . 7 2 2 B 10 10 LEU CB C 791 42.609 42.853 -0.244 1
1 1184 . 7 2 2 B 10 10 LEU N N 791 121.343 126.855 -5.512 1
1 1185 . 7 2 2 B 11 11 PRO HA H 792 4.553 4.454 0.099 1
1 1192 . 7 2 2 B 11 11 PRO CA C 792 62.788 63.151 -0.363 1
1 1193 . 7 2 2 B 11 11 PRO CB C 792 32.716 32.265 0.451 1
1 1196 . 7 2 2 B 12 12 HIS HA H 793 3.989 4.181 -0.192 1
1 1201 . 7 2 2 B 12 12 HIS CA C 793 60.326 58.951 1.375 1
1 1202 . 7 2 2 B 12 12 HIS CB C 793 30.803 28.976 1.827 1
1 1205 . 7 2 2 B 13 13 ASP H H 794 8.938 8.202 0.736 1
1 1206 . 7 2 2 B 13 13 ASP HA H 794 4.460 4.220 0.240 1
1 1209 . 7 2 2 B 13 13 ASP CA C 794 54.581 56.514 -1.933 1
1 1210 . 7 2 2 B 13 13 ASP CB C 794 38.061 39.416 -1.355 1
1 1211 . 7 2 2 B 13 13 ASP N N 794 114.734 120.158 -5.424 1
1 1212 . 7 2 2 B 14 14 LEU H H 795 7.674 7.536 0.138 1
1 1213 . 7 2 2 B 14 14 LEU HA H 795 4.546 4.251 0.295 1
1 1223 . 7 2 2 B 14 14 LEU CA C 795 53.478 56.766 -3.288 1
1 1224 . 7 2 2 B 14 14 LEU CB C 795 43.597 41.939 1.658 1
1 1228 . 7 2 2 B 14 14 LEU N N 795 116.056 120.185 -4.129 1
1 1229 . 7 2 2 B 15 15 ARG H H 796 7.225 8.559 -1.334 1
1 1230 . 7 2 2 B 15 15 ARG HA H 796 3.809 4.170 -0.361 1
1 1237 . 7 2 2 B 15 15 ARG CA C 796 58.744 58.541 0.203 1
1 1238 . 7 2 2 B 15 15 ARG CB C 796 30.413 29.541 0.872 1
1 1241 . 7 2 2 B 15 15 ARG N N 796 116.434 118.357 -1.923 1
1 1242 . 7 2 2 B 16 16 HIS HA H 797 4.703 4.202 0.501 1
1 1247 . 7 2 2 B 16 16 HIS CA C 797 55.289 58.764 -3.475 1
1 1248 . 7 2 2 B 16 16 HIS CB C 797 29.538 30.122 -0.584 1
1 1251 . 7 2 2 B 17 17 LEU H H 798 6.982 7.568 -0.586 1
1 1252 . 7 2 2 B 17 17 LEU HA H 798 4.071 3.980 0.091 1
1 1262 . 7 2 2 B 17 17 LEU CA C 798 54.807 55.370 -0.563 1
1 1263 . 7 2 2 B 17 17 LEU CB C 798 42.206 42.092 0.114 1
1 1267 . 7 2 2 B 17 17 LEU N N 798 120.399 120.924 -0.525 1
1 1268 . 7 2 2 B 18 18 ASN H H 799 8.789 8.541 0.248 1
1 1269 . 7 2 2 B 18 18 ASN HA H 799 4.857 4.864 -0.007 1
1 1274 . 7 2 2 B 18 18 ASN CA C 799 52.166 52.927 -0.761 1
1 1275 . 7 2 2 B 18 18 ASN CB C 799 37.842 38.731 -0.889 1
1 1276 . 7 2 2 B 18 18 ASN N N 799 121.343 123.369 -2.026 1
1 1278 . 7 2 2 B 19 19 THR H H 800 8.585 8.574 0.011 1
1 1279 . 7 2 2 B 19 19 THR HA H 800 4.522 4.415 0.107 1
1 1284 . 7 2 2 B 19 19 THR CA C 800 62.143 63.218 -1.075 1
1 1285 . 7 2 2 B 19 19 THR CB C 800 68.865 68.986 -0.121 1
1 1287 . 7 2 2 B 19 19 THR N N 800 115.301 117.670 -2.369 1
1 1288 . 7 2 2 B 20 20 GLU H H 801 8.415 8.454 -0.039 1
1 1289 . 7 2 2 B 20 20 GLU HA H 801 4.337 4.112 0.225 1
1 1294 . 7 2 2 B 20 20 GLU CA C 801 61.496 62.932 -1.436 1
1 1295 . 7 2 2 B 20 20 GLU CB C 801 26.493 27.606 -1.113 1
1 1297 . 7 2 2 B 20 20 GLU N N 801 125.119 122.928 2.191 1
1 1298 . 7 2 2 B 21 21 PRO HA H 802 4.422 4.254 0.168 1
1 1305 . 7 2 2 B 21 21 PRO CA C 802 64.520 65.588 -1.068 1
1 1306 . 7 2 2 B 21 21 PRO CB C 802 31.355 30.439 0.916 1
1 1309 . 7 2 2 B 22 22 MET H H 803 7.303 7.596 -0.293 1
1 1310 . 7 2 2 B 22 22 MET HA H 803 4.062 4.066 -0.004 1
1 1318 . 7 2 2 B 22 22 MET CA C 803 55.686 57.901 -2.215 1
1 1319 . 7 2 2 B 22 22 MET CB C 803 33.481 31.704 1.777 1
1 1322 . 7 2 2 B 22 22 MET N N 803 110.769 115.346 -4.577 1
1 1323 . 7 2 2 B 23 23 GLU H H 804 7.624 7.789 -0.165 1
1 1324 . 7 2 2 B 23 23 GLU HA H 804 3.918 3.931 -0.013 1
1 1329 . 7 2 2 B 23 23 GLU CA C 804 59.221 59.121 0.100 1
1 1330 . 7 2 2 B 23 23 GLU CB C 804 28.993 29.201 -0.208 1
1 1332 . 7 2 2 B 23 23 GLU N N 804 118.699 118.442 0.257 1
1 1333 . 7 2 2 B 24 24 ILE H H 805 6.626 6.746 -0.120 1
1 1334 . 7 2 2 B 24 24 ILE HA H 805 3.999 3.701 0.298 1
1 1344 . 7 2 2 B 24 24 ILE CA C 805 62.734 63.821 -1.087 1
1 1345 . 7 2 2 B 24 24 ILE CB C 805 37.574 36.963 0.611 1
1 1349 . 7 2 2 B 24 24 ILE N N 805 111.524 116.293 -4.769 1
1 1350 . 7 2 2 B 25 25 PHE H H 806 7.515 7.259 0.256 1
1 1351 . 7 2 2 B 25 25 PHE HA H 806 4.524 4.410 0.114 1
1 1358 . 7 2 2 B 25 25 PHE CA C 806 55.760 61.144 -5.384 1
1 1359 . 7 2 2 B 25 25 PHE CB C 806 38.464 38.563 -0.099 1
1 1362 . 7 2 2 B 25 25 PHE N N 806 118.322 120.978 -2.656 1
1 1363 . 7 2 2 B 26 26 ARG H H 807 7.368 7.721 -0.353 1
1 1364 . 7 2 2 B 26 26 ARG HA H 807 4.024 4.104 -0.080 1
1 1371 . 7 2 2 B 26 26 ARG CA C 807 58.864 58.837 0.027 1
1 1372 . 7 2 2 B 26 26 ARG CB C 807 30.872 30.043 0.829 1
1 1375 . 7 2 2 B 26 26 ARG N N 807 118.888 121.558 -2.670 1
1 1376 . 7 2 2 B 27 27 ASN H H 808 8.877 8.007 0.870 1
1 1377 . 7 2 2 B 27 27 ASN HA H 808 4.732 4.994 -0.262 1
1 1382 . 7 2 2 B 27 27 ASN CA C 808 53.413 52.207 1.206 1
1 1383 . 7 2 2 B 27 27 ASN CB C 808 38.244 39.472 -1.228 1
1 1384 . 7 2 2 B 27 27 ASN N N 808 117.000 117.472 -0.472 1
1 1386 . 7 2 2 B 28 28 SER H H 809 7.969 7.970 -0.001 1
1 1387 . 7 2 2 B 28 28 SER HA H 809 4.440 4.780 -0.340 1
1 1390 . 7 2 2 B 28 28 SER CA C 809 60.606 57.826 2.780 1
1 1391 . 7 2 2 B 28 28 SER CB C 809 64.021 64.473 -0.452 1
1 1392 . 7 2 2 B 28 28 SER N N 809 114.356 117.642 -3.286 1
1 1393 . 7 2 2 B 29 29 VAL HA H 810 4.304 4.771 -0.467 1
1 1401 . 7 2 2 B 29 29 VAL CA C 810 60.803 60.241 0.562 1
1 1402 . 7 2 2 B 29 29 VAL CB C 810 34.232 36.833 -2.601 1
1 1405 . 7 2 2 B 30 30 LYS H H 811 8.707 8.483 0.224 1
1 1406 . 7 2 2 B 30 30 LYS HA H 811 4.552 4.771 -0.219 1
1 1415 . 7 2 2 B 30 30 LYS CA C 811 55.058 54.875 0.183 1
1 1416 . 7 2 2 B 30 30 LYS CB C 811 31.782 32.851 -1.069 1
1 1420 . 7 2 2 B 30 30 LYS N N 811 127.196 123.780 3.416 1
1 1421 . 7 2 2 B 31 31 ILE H H 812 8.604 8.312 0.292 1
1 1422 . 7 2 2 B 31 31 ILE HA H 812 3.662 3.673 -0.011 1
1 1432 . 7 2 2 B 31 31 ILE CA C 812 64.066 65.057 -0.991 1
1 1433 . 7 2 2 B 31 31 ILE CB C 812 37.726 37.644 0.082 1
1 1437 . 7 2 2 B 31 31 ILE N N 812 125.497 123.996 1.501 1
1 1438 . 7 2 2 B 32 32 GLU H H 813 9.330 8.364 0.966 1
1 1439 . 7 2 2 B 32 32 GLU HA H 813 4.162 4.189 -0.027 1
1 1444 . 7 2 2 B 32 32 GLU CA C 813 58.096 58.501 -0.405 1
1 1445 . 7 2 2 B 32 32 GLU CB C 813 28.834 30.163 -1.329 1
1 1447 . 7 2 2 B 32 32 GLU N N 813 118.888 118.631 0.257 1
1 1448 . 7 2 2 B 33 33 GLU H H 814 7.742 7.947 -0.205 1
1 1449 . 7 2 2 B 33 33 GLU HA H 814 4.334 4.333 0.001 1
1 1454 . 7 2 2 B 33 33 GLU CA C 814 56.441 57.937 -1.496 1
1 1455 . 7 2 2 B 33 33 GLU CB C 814 30.396 30.246 0.150 1
1 1457 . 7 2 2 B 33 33 GLU N N 814 117.566 117.946 -0.380 1
1 1458 . 7 2 2 B 34 34 ILE H H 815 7.598 7.629 -0.031 1
1 1459 . 7 2 2 B 34 34 ILE HA H 815 4.216 3.748 0.468 1
1 1469 . 7 2 2 B 34 34 ILE CA C 815 61.047 65.022 -3.975 1
1 1470 . 7 2 2 B 34 34 ILE CB C 815 38.712 38.021 0.691 1
1 1474 . 7 2 2 B 34 34 ILE N N 815 117.566 118.349 -0.783 1
1 1475 . 7 2 2 B 35 35 MET H H 816 8.177 7.575 0.602 1
1 1476 . 7 2 2 B 35 35 MET HA H 816 4.733 4.478 0.255 1
1 1484 . 7 2 2 B 35 35 MET CA C 816 53.461 53.915 -0.454 1
1 1485 . 7 2 2 B 35 35 MET CB C 816 32.025 33.752 -1.727 1
1 1488 . 7 2 2 B 35 35 MET N N 816 122.665 121.405 1.260 1
1 1489 . 7 2 2 B 36 36 PRO HA H 817 4.743 4.430 0.313 1
1 1496 . 7 2 2 B 36 36 PRO CA C 817 62.542 63.684 -1.142 1
1 1497 . 7 2 2 B 36 36 PRO CB C 817 34.328 32.363 1.965 1
1 1500 . 7 2 2 B 37 37 ASN H H 818 8.374 8.243 0.131 1
1 1501 . 7 2 2 B 37 37 ASN HA H 818 4.752 4.435 0.317 1
1 1504 . 7 2 2 B 37 37 ASN CA C 818 52.995 53.975 -0.980 1
1 1505 . 7 2 2 B 37 37 ASN CB C 818 38.705 36.287 2.418 1
1 1506 . 7 2 2 B 37 37 ASN N N 818 117.378 117.151 0.227 1
1 1507 . 7 2 2 B 38 38 GLY H H 819 8.314 8.242 0.072 1
1 1508 . 7 2 2 B 38 38 GLY HA2 H 819 3.937 3.925 0.012 1
1 1509 . 7 2 2 B 38 38 GLY HA3 H 819 3.994 3.926 0.068 1
1 1510 . 7 2 2 B 38 38 GLY CA C 819 45.006 46.349 -1.343 1
1 1511 . 7 2 2 B 38 38 GLY N N 819 108.881 108.232 0.649 1
1 1512 . 7 2 2 B 39 39 ASP H H 820 8.157 7.910 0.247 1
1 1513 . 7 2 2 B 39 39 ASP HA H 820 4.939 5.041 -0.102 1
1 1516 . 7 2 2 B 39 39 ASP CA C 820 51.896 51.007 0.889 1
1 1517 . 7 2 2 B 39 39 ASP CB C 820 41.672 43.708 -2.036 1
1 1518 . 7 2 2 B 39 39 ASP N N 820 121.154 116.924 4.230 1
1 1519 . 7 2 2 B 40 40 PRO HA H 821 4.483 4.348 0.135 1
1 1526 . 7 2 2 B 40 40 PRO CA C 821 63.351 64.909 -1.558 1
1 1527 . 7 2 2 B 40 40 PRO CB C 821 32.066 31.741 0.325 1
1 1530 . 7 2 2 B 41 41 LEU H H 822 8.440 7.624 0.816 1
1 1531 . 7 2 2 B 41 41 LEU HA H 822 4.262 4.065 0.197 1
1 1541 . 7 2 2 B 41 41 LEU CA C 822 55.539 57.120 -1.581 1
1 1542 . 7 2 2 B 41 41 LEU CB C 822 41.496 40.987 0.509 1
1 1546 . 7 2 2 B 41 41 LEU N N 822 119.644 118.913 0.731 1
1 1547 . 7 2 2 B 42 42 LEU H H 823 7.863 7.927 -0.064 1
1 1548 . 7 2 2 B 42 42 LEU HA H 823 4.353 3.998 0.355 1
1 1558 . 7 2 2 B 42 42 LEU CA C 823 54.598 57.543 -2.945 1
1 1559 . 7 2 2 B 42 42 LEU CB C 823 42.025 41.737 0.288 1
1 1563 . 7 2 2 B 42 42 LEU N N 823 120.399 120.544 -0.145 1
1 1564 . 7 2 2 B 43 43 ALA H H 824 8.022 8.124 -0.102 1
1 1565 . 7 2 2 B 43 43 ALA HA H 824 4.330 4.071 0.259 1
1 1569 . 7 2 2 B 43 43 ALA CA C 824 52.539 55.475 -2.936 1
1 1570 . 7 2 2 B 43 43 ALA CB C 824 19.126 18.044 1.082 1
1 1571 . 7 2 2 B 43 43 ALA N N 824 123.420 121.165 2.255 1
1 1572 . 7 2 2 B 44 44 GLY H H 825 8.346 8.150 0.196 1
1 1573 . 7 2 2 B 44 44 GLY HA2 H 825 3.973 4.000 -0.027 1
1 1574 . 7 2 2 B 44 44 GLY HA3 H 825 3.973 4.003 -0.030 1
1 1575 . 7 2 2 B 44 44 GLY CA C 825 45.123 46.815 -1.692 1
1 1576 . 7 2 2 B 44 44 GLY N N 825 107.559 105.546 2.013 1
1 1577 . 7 2 2 B 45 45 GLN H H 826 8.204 7.933 0.271 1
1 1578 . 7 2 2 B 45 45 GLN HA H 826 4.377 4.557 -0.180 1
1 1585 . 7 2 2 B 45 45 GLN CA C 826 55.686 54.768 0.918 1
1 1586 . 7 2 2 B 45 45 GLN CB C 826 29.376 29.759 -0.383 1
1 1588 . 7 2 2 B 45 45 GLN N N 826 119.266 117.475 1.791 1
1 1590 . 7 2 2 B 46 46 ASN H H 827 8.556 8.282 0.274 1
1 1591 . 7 2 2 B 46 46 ASN HA H 827 4.824 4.976 -0.152 1
1 1596 . 7 2 2 B 46 46 ASN CA C 827 53.216 52.832 0.384 1
1 1597 . 7 2 2 B 46 46 ASN CB C 827 38.759 41.050 -2.291 1
1 1598 . 7 2 2 B 46 46 ASN N N 827 119.266 118.368 0.898 1
1 1600 . 7 2 2 B 47 47 THR H H 828 8.127 7.090 1.037 1
1 1601 . 7 2 2 B 47 47 THR HA H 828 4.414 4.455 -0.041 1
1 1606 . 7 2 2 B 47 47 THR CA C 828 61.564 59.706 1.858 1
1 1607 . 7 2 2 B 47 47 THR CB C 828 69.507 70.672 -1.165 1
1 1609 . 7 2 2 B 47 47 THR N N 828 113.790 111.826 1.964 1
1 1610 . 7 2 2 B 48 48 VAL H H 829 8.140 8.408 -0.268 1
1 1611 . 7 2 2 B 48 48 VAL HA H 829 4.091 3.463 0.628 1
1 1619 . 7 2 2 B 48 48 VAL CA C 829 62.146 63.400 -1.254 1
1 1620 . 7 2 2 B 48 48 VAL CB C 829 32.515 31.563 0.952 1
1 1623 . 7 2 2 B 48 48 VAL N N 829 120.776 123.431 -2.655 1
1 1624 . 7 2 2 B 49 49 ASP H H 830 8.287 8.390 -0.103 1
1 1625 . 7 2 2 B 49 49 ASP HA H 830 4.617 5.083 -0.466 1
1 1628 . 7 2 2 B 49 49 ASP CA C 830 54.308 52.566 1.742 1
1 1629 . 7 2 2 B 49 49 ASP CB C 830 41.241 44.527 -3.286 1
1 1630 . 7 2 2 B 49 49 ASP N N 830 123.042 126.897 -3.855 1
1 1631 . 7 2 2 B 50 50 GLU H H 831 8.242 8.842 -0.600 1
1 1632 . 7 2 2 B 50 50 GLU HA H 831 4.261 3.985 0.276 1
1 1637 . 7 2 2 B 50 50 GLU CA C 831 56.521 59.554 -3.033 1
1 1638 . 7 2 2 B 50 50 GLU CB C 831 30.209 29.296 0.913 1
1 1640 . 7 2 2 B 50 50 GLU N N 831 120.776 124.549 -3.773 1
1 1641 . 7 2 2 B 51 51 VAL H H 832 8.044 8.106 -0.062 1
1 1642 . 7 2 2 B 51 51 VAL HA H 832 3.988 3.988 0.000 1
1 1650 . 7 2 2 B 51 51 VAL CA C 832 62.472 63.976 -1.504 1
1 1651 . 7 2 2 B 51 51 VAL CB C 832 32.278 31.716 0.562 1
1 1654 . 7 2 2 B 51 51 VAL N N 832 120.021 118.500 1.521 1
1 1655 . 7 2 2 B 52 52 TYR H H 833 8.148 8.246 -0.098 1
1 1656 . 7 2 2 B 52 52 TYR HA H 833 4.598 4.692 -0.094 1
1 1663 . 7 2 2 B 52 52 TYR CA C 833 57.743 60.493 -2.750 1
1 1664 . 7 2 2 B 52 52 TYR CB C 833 38.702 39.669 -0.967 1
1 1667 . 7 2 2 B 52 52 TYR N N 833 122.854 122.844 0.010 1
1 1668 . 7 2 2 B 53 53 VAL H H 834 7.868 7.904 -0.036 1
1 1669 . 7 2 2 B 53 53 VAL HA H 834 4.114 4.169 -0.055 1
1 1677 . 7 2 2 B 53 53 VAL CA C 834 61.508 63.680 -2.172 1
1 1678 . 7 2 2 B 53 53 VAL CB C 834 33.010 31.991 1.019 1
1 1681 . 7 2 2 B 53 53 VAL N N 834 121.721 116.847 4.874 1
1 1682 . 7 2 2 B 54 54 SER H H 835 8.237 7.654 0.583 1
1 1683 . 7 2 2 B 54 54 SER HA H 835 4.422 4.588 -0.166 1
1 1686 . 7 2 2 B 54 54 SER CA C 835 57.823 56.123 1.700 1
1 1687 . 7 2 2 B 54 54 SER CB C 835 63.437 65.804 -2.367 1
1 1688 . 7 2 2 B 54 54 SER N N 835 119.077 114.767 4.310 1
1 1689 . 7 2 2 B 55 55 ARG H H 836 8.284 8.354 -0.070 1
1 1690 . 7 2 2 B 55 55 ARG HA H 836 4.701 4.236 0.465 1
1 1697 . 7 2 2 B 55 55 ARG CA C 836 53.601 55.032 -1.431 1
1 1698 . 7 2 2 B 55 55 ARG CB C 836 30.394 30.329 0.065 1
1 1701 . 7 2 2 B 55 55 ARG N N 836 123.798 122.371 1.427 1
1 1702 . 7 2 2 B 56 56 PRO HA H 837 4.485 4.782 -0.297 1
1 1709 . 7 2 2 B 56 56 PRO CA C 837 63.351 62.872 0.479 1
1 1710 . 7 2 2 B 56 56 PRO CB C 837 31.795 33.063 -1.268 1
1 7 . 8 1 1 A 2 2 THR HA H 341 4.462 4.642 -0.180 1
1 12 . 8 1 1 A 2 2 THR CA C 341 61.936 61.842 0.094 1
1 13 . 8 1 1 A 2 2 THR CB C 341 69.770 71.342 -1.572 1
1 15 . 8 1 1 A 3 3 GLY HA2 H 342 4.141 4.073 0.068 1
1 16 . 8 1 1 A 3 3 GLY HA3 H 342 4.238 4.073 0.165 1
1 17 . 8 1 1 A 3 3 GLY CA C 342 44.424 46.208 -1.784 1
1 18 . 8 1 1 A 4 4 PRO HA H 343 4.567 4.336 0.231 1
1 25 . 8 1 1 A 4 4 PRO CA C 343 63.088 64.760 -1.672 1
1 26 . 8 1 1 A 4 4 PRO CB C 343 32.443 31.470 0.973 1
1 29 . 8 1 1 A 5 5 THR H H 344 8.284 8.214 0.070 1
1 30 . 8 1 1 A 5 5 THR HA H 344 4.342 4.204 0.138 1
1 35 . 8 1 1 A 5 5 THR CA C 344 61.936 63.629 -1.693 1
1 36 . 8 1 1 A 5 5 THR CB C 344 69.539 68.333 1.206 1
1 38 . 8 1 1 A 5 5 THR N N 344 113.968 110.216 3.752 1
1 39 . 8 1 1 A 6 6 ALA H H 345 8.269 7.653 0.616 1
1 40 . 8 1 1 A 6 6 ALA HA H 345 4.434 4.523 -0.089 1
1 44 . 8 1 1 A 6 6 ALA CA C 345 52.028 52.662 -0.634 1
1 45 . 8 1 1 A 6 6 ALA CB C 345 19.771 21.257 -1.486 1
1 46 . 8 1 1 A 6 6 ALA N N 345 126.619 122.652 3.967 1
1 47 . 8 1 1 A 7 7 ASP H H 346 8.454 8.256 0.198 1
1 48 . 8 1 1 A 7 7 ASP HA H 346 4.917 4.333 0.584 1
1 51 . 8 1 1 A 7 7 ASP CA C 346 52.719 54.789 -2.070 1
1 52 . 8 1 1 A 7 7 ASP CB C 346 41.659 39.331 2.328 1
1 53 . 8 1 1 A 7 7 ASP N N 346 120.766 117.550 3.216 1
1 54 . 8 1 1 A 8 8 PRO HA H 347 4.398 4.298 0.100 1
1 61 . 8 1 1 A 8 8 PRO CA C 347 64.931 65.509 -0.578 1
1 62 . 8 1 1 A 8 8 PRO CB C 347 32.388 31.911 0.477 1
1 65 . 8 1 1 A 9 9 GLU H H 348 8.113 8.132 -0.019 1
1 66 . 8 1 1 A 9 9 GLU HA H 348 4.154 4.090 0.064 1
1 71 . 8 1 1 A 9 9 GLU CB C 348 30.138 29.504 0.634 1
1 73 . 8 1 1 A 9 9 GLU N N 348 116.423 118.089 -1.666 1
1 74 . 8 1 1 A 10 10 LYS H H 349 7.699 8.138 -0.439 1
1 75 . 8 1 1 A 10 10 LYS HA H 349 3.982 3.974 0.008 1
1 84 . 8 1 1 A 10 10 LYS CA C 349 60.092 59.548 0.544 1
1 85 . 8 1 1 A 10 10 LYS CB C 349 32.558 32.581 -0.023 1
1 89 . 8 1 1 A 10 10 LYS N N 349 119.255 120.179 -0.924 1
1 90 . 8 1 1 A 11 11 ARG H H 350 7.845 8.225 -0.380 1
1 91 . 8 1 1 A 11 11 ARG HA H 350 3.656 3.933 -0.277 1
1 98 . 8 1 1 A 11 11 ARG CA C 350 60.092 59.248 0.844 1
1 99 . 8 1 1 A 11 11 ARG CB C 350 28.295 29.855 -1.560 1
1 102 . 8 1 1 A 11 11 ARG N N 350 117.178 119.322 -2.144 1
1 103 . 8 1 1 A 12 12 LYS H H 351 7.888 7.429 0.459 1
1 104 . 8 1 1 A 12 12 LYS HA H 351 4.198 4.369 -0.171 1
1 109 . 8 1 1 A 12 12 LYS CA C 351 59.631 59.300 0.331 1
1 110 . 8 1 1 A 12 12 LYS CB C 351 32.673 32.308 0.365 1
1 112 . 8 1 1 A 12 12 LYS N N 351 117.745 119.144 -1.399 1
1 113 . 8 1 1 A 13 13 LEU H H 352 7.696 7.696 0.000 1
1 114 . 8 1 1 A 13 13 LEU HA H 352 4.259 4.060 0.199 1
1 124 . 8 1 1 A 13 13 LEU CA C 352 58.019 58.063 -0.044 1
1 125 . 8 1 1 A 13 13 LEU CB C 352 42.120 41.786 0.334 1
1 129 . 8 1 1 A 13 13 LEU N N 352 119.444 120.098 -0.654 1
1 130 . 8 1 1 A 14 14 ILE H H 353 7.831 7.580 0.251 1
1 131 . 8 1 1 A 14 14 ILE HA H 353 3.648 3.779 -0.131 1
1 141 . 8 1 1 A 14 14 ILE CA C 353 65.392 64.313 1.079 1
1 142 . 8 1 1 A 14 14 ILE CB C 353 38.203 37.661 0.542 1
1 146 . 8 1 1 A 14 14 ILE N N 353 118.311 115.651 2.660 1
1 147 . 8 1 1 A 15 15 GLN H H 354 8.178 7.909 0.269 1
1 148 . 8 1 1 A 15 15 GLN HA H 354 3.791 3.881 -0.090 1
1 155 . 8 1 1 A 15 15 GLN CA C 354 59.631 59.072 0.559 1
1 156 . 8 1 1 A 15 15 GLN CB C 354 30.369 28.162 2.207 1
1 158 . 8 1 1 A 15 15 GLN N N 354 116.423 121.097 -4.674 1
1 160 . 8 1 1 A 16 16 GLN H H 355 8.192 8.105 0.087 1
1 161 . 8 1 1 A 16 16 GLN HA H 355 3.799 4.044 -0.245 1
1 168 . 8 1 1 A 16 16 GLN CA C 355 59.171 59.157 0.014 1
1 169 . 8 1 1 A 16 16 GLN CB C 355 28.986 28.423 0.563 1
1 171 . 8 1 1 A 16 16 GLN N N 355 117.178 118.644 -1.466 1
1 173 . 8 1 1 A 17 17 GLN H H 356 7.970 7.786 0.184 1
1 174 . 8 1 1 A 17 17 GLN HA H 356 3.136 4.029 -0.893 1
1 181 . 8 1 1 A 17 17 GLN CA C 356 60.323 58.593 1.730 1
1 182 . 8 1 1 A 17 17 GLN CB C 356 27.143 28.187 -1.044 1
1 184 . 8 1 1 A 17 17 GLN N N 356 118.311 119.643 -1.332 1
1 186 . 8 1 1 A 18 18 LEU H H 357 8.408 8.144 0.264 1
1 187 . 8 1 1 A 18 18 LEU HA H 357 3.863 4.010 -0.147 1
1 197 . 8 1 1 A 18 18 LEU CA C 357 58.710 58.370 0.340 1
1 198 . 8 1 1 A 18 18 LEU CB C 357 40.968 41.791 -0.823 1
1 202 . 8 1 1 A 18 18 LEU N N 357 117.934 121.288 -3.354 1
1 203 . 8 1 1 A 19 19 VAL H H 358 8.544 8.100 0.444 1
1 204 . 8 1 1 A 19 19 VAL HA H 358 3.479 3.447 0.032 1
1 212 . 8 1 1 A 19 19 VAL CA C 358 66.544 66.900 -0.356 1
1 213 . 8 1 1 A 19 19 VAL CB C 358 31.060 31.251 -0.191 1
1 216 . 8 1 1 A 19 19 VAL N N 358 116.423 119.177 -2.754 1
1 217 . 8 1 1 A 20 20 LEU H H 359 7.820 7.975 -0.155 1
1 218 . 8 1 1 A 20 20 LEU HA H 359 3.952 3.947 0.005 1
1 228 . 8 1 1 A 20 20 LEU CA C 359 58.019 58.025 -0.006 1
1 229 . 8 1 1 A 20 20 LEU CB C 359 42.696 41.317 1.379 1
1 233 . 8 1 1 A 20 20 LEU N N 359 120.955 120.008 0.947 1
1 234 . 8 1 1 A 21 21 LEU H H 360 8.278 8.028 0.250 1
1 235 . 8 1 1 A 21 21 LEU HA H 360 3.868 4.075 -0.207 1
1 245 . 8 1 1 A 21 21 LEU CA C 360 58.710 58.055 0.655 1
1 246 . 8 1 1 A 21 21 LEU CB C 360 42.811 41.547 1.264 1
1 250 . 8 1 1 A 21 21 LEU N N 360 121.144 119.478 1.666 1
1 251 . 8 1 1 A 22 22 LEU H H 361 8.331 8.192 0.139 1
1 252 . 8 1 1 A 22 22 LEU HA H 361 3.919 3.924 -0.005 1
1 262 . 8 1 1 A 22 22 LEU CA C 361 57.788 58.145 -0.357 1
1 263 . 8 1 1 A 22 22 LEU CB C 361 41.083 41.196 -0.113 1
1 267 . 8 1 1 A 22 22 LEU N N 361 118.500 117.974 0.526 1
1 268 . 8 1 1 A 23 23 HIS H H 362 8.620 8.464 0.156 1
1 269 . 8 1 1 A 23 23 HIS HA H 362 4.114 4.230 -0.116 1
1 274 . 8 1 1 A 23 23 HIS CA C 362 60.323 59.738 0.585 1
1 275 . 8 1 1 A 23 23 HIS CB C 362 27.834 29.906 -2.072 1
1 278 . 8 1 1 A 23 23 HIS N N 362 117.934 117.967 -0.033 1
1 279 . 8 1 1 A 24 24 ALA H H 363 9.049 8.458 0.591 1
1 280 . 8 1 1 A 24 24 ALA HA H 363 3.954 4.013 -0.059 1
1 284 . 8 1 1 A 24 24 ALA CA C 363 55.253 55.155 0.098 1
1 285 . 8 1 1 A 24 24 ALA CB C 363 19.079 18.229 0.850 1
1 286 . 8 1 1 A 24 24 ALA N N 363 121.710 120.635 1.075 1
1 287 . 8 1 1 A 25 25 HIS H H 364 7.955 8.028 -0.073 1
1 288 . 8 1 1 A 25 25 HIS HA H 364 4.130 4.300 -0.170 1
1 293 . 8 1 1 A 25 25 HIS CA C 364 60.092 59.479 0.613 1
1 294 . 8 1 1 A 25 25 HIS CB C 364 31.060 29.752 1.308 1
1 297 . 8 1 1 A 25 25 HIS N N 364 115.856 117.854 -1.998 1
1 298 . 8 1 1 A 26 26 LYS H H 365 7.053 7.354 -0.301 1
1 299 . 8 1 1 A 26 26 LYS HA H 365 4.014 3.860 0.154 1
1 302 . 8 1 1 A 26 26 LYS CA C 365 57.788 58.907 -1.119 1
1 303 . 8 1 1 A 26 26 LYS CB C 365 32.903 31.916 0.987 1
1 304 . 8 1 1 A 26 26 LYS N N 365 117.178 118.550 -1.372 1
1 305 . 8 1 1 A 27 27 CYS H H 366 8.592 8.101 0.491 1
1 306 . 8 1 1 A 27 27 CYS HA H 366 3.741 4.019 -0.278 1
1 309 . 8 1 1 A 27 27 CYS CA C 366 62.396 62.464 -0.068 1
1 310 . 8 1 1 A 27 27 CYS CB C 366 29.678 27.060 2.618 1
1 311 . 8 1 1 A 27 27 CYS N N 366 123.976 119.357 4.619 1
1 312 . 8 1 1 A 28 28 GLN H H 367 8.349 8.316 0.033 1
1 313 . 8 1 1 A 28 28 GLN HA H 367 4.283 3.964 0.319 1
1 320 . 8 1 1 A 28 28 GLN CA C 367 57.327 59.148 -1.821 1
1 321 . 8 1 1 A 28 28 GLN CB C 367 29.217 28.527 0.690 1
1 323 . 8 1 1 A 28 28 GLN N N 367 119.444 120.559 -1.115 1
1 325 . 8 1 1 A 29 29 ARG H H 368 7.635 7.442 0.193 1
1 326 . 8 1 1 A 29 29 ARG HA H 368 4.169 4.074 0.095 1
1 333 . 8 1 1 A 29 29 ARG CA C 368 57.558 59.428 -1.870 1
1 334 . 8 1 1 A 29 29 ARG CB C 368 29.908 30.105 -0.197 1
1 337 . 8 1 1 A 29 29 ARG N N 368 119.444 119.047 0.397 1
1 338 . 8 1 1 A 30 30 ARG H H 369 8.018 7.956 0.062 1
1 339 . 8 1 1 A 30 30 ARG HA H 369 4.260 3.932 0.328 1
1 346 . 8 1 1 A 30 30 ARG CA C 369 57.558 59.498 -1.940 1
1 347 . 8 1 1 A 30 30 ARG CB C 369 30.599 29.961 0.638 1
1 350 . 8 1 1 A 30 30 ARG N N 369 120.388 119.589 0.799 1
1 351 . 8 1 1 A 31 31 GLU H H 370 8.208 8.479 -0.271 1
1 352 . 8 1 1 A 31 31 GLU HA H 370 4.236 4.093 0.143 1
1 357 . 8 1 1 A 31 31 GLU CA C 370 57.788 59.050 -1.262 1
1 358 . 8 1 1 A 31 31 GLU CB C 370 30.369 29.278 1.091 1
1 360 . 8 1 1 A 31 31 GLU N N 370 120.388 117.702 2.686 1
1 361 . 8 1 1 A 32 32 GLN H H 371 8.165 7.718 0.447 1
1 362 . 8 1 1 A 32 32 GLN HA H 371 4.313 4.030 0.283 1
1 367 . 8 1 1 A 32 32 GLN CA C 371 56.636 58.741 -2.105 1
1 368 . 8 1 1 A 32 32 GLN CB C 371 29.217 28.530 0.687 1
1 370 . 8 1 1 A 32 32 GLN N N 371 118.878 119.259 -0.381 1
1 371 . 8 1 1 A 33 33 ALA H H 372 8.095 8.183 -0.088 1
1 372 . 8 1 1 A 33 33 ALA HA H 372 4.327 4.065 0.262 1
1 376 . 8 1 1 A 33 33 ALA CA C 372 53.180 55.172 -1.992 1
1 377 . 8 1 1 A 33 33 ALA CB C 372 19.079 17.975 1.104 1
1 378 . 8 1 1 A 33 33 ALA N N 372 123.032 122.241 0.791 1
1 379 . 8 1 1 A 34 34 ASN H H 373 8.186 7.952 0.234 1
1 380 . 8 1 1 A 34 34 ASN HA H 373 4.735 4.641 0.094 1
1 383 . 8 1 1 A 34 34 ASN CA C 373 53.410 54.804 -1.394 1
1 384 . 8 1 1 A 34 34 ASN CB C 373 38.894 38.769 0.125 1
1 385 . 8 1 1 A 34 34 ASN N N 373 115.479 116.064 -0.585 1
1 386 . 8 1 1 A 35 35 GLY H H 374 8.266 8.757 -0.491 1
1 387 . 8 1 1 A 35 35 GLY HA2 H 374 3.943 3.906 0.037 1
1 388 . 8 1 1 A 35 35 GLY HA3 H 374 4.044 3.906 0.138 1
1 389 . 8 1 1 A 35 35 GLY CA C 374 45.576 45.751 -0.175 1
1 390 . 8 1 1 A 35 35 GLY N N 374 108.492 107.152 1.340 1
1 391 . 8 1 1 A 36 36 GLU H H 375 8.132 8.117 0.015 1
1 392 . 8 1 1 A 36 36 GLU HA H 375 4.368 4.514 -0.146 1
1 397 . 8 1 1 A 36 36 GLU CA C 375 55.945 55.329 0.616 1
1 398 . 8 1 1 A 36 36 GLU CB C 375 30.369 30.382 -0.013 1
1 400 . 8 1 1 A 36 36 GLU N N 375 119.822 121.589 -1.767 1
1 401 . 8 1 1 A 37 37 VAL H H 376 8.132 7.598 0.534 1
1 402 . 8 1 1 A 37 37 VAL HA H 376 4.139 3.946 0.193 1
1 410 . 8 1 1 A 37 37 VAL CA C 376 62.166 62.742 -0.576 1
1 411 . 8 1 1 A 37 37 VAL CB C 376 32.673 32.454 0.219 1
1 414 . 8 1 1 A 37 37 VAL N N 376 121.144 121.843 -0.699 1
1 415 . 8 1 1 A 38 38 ARG H H 377 8.455 9.019 -0.564 1
1 416 . 8 1 1 A 38 38 ARG HA H 377 4.392 4.591 -0.199 1
1 423 . 8 1 1 A 38 38 ARG CA C 377 55.253 56.962 -1.709 1
1 424 . 8 1 1 A 38 38 ARG CB C 377 31.060 31.981 -0.921 1
1 427 . 8 1 1 A 38 38 ARG N N 377 125.109 126.515 -1.406 1
1 428 . 8 1 1 A 39 39 ALA H H 378 8.384 7.536 0.848 1
1 429 . 8 1 1 A 39 39 ALA HA H 378 4.287 4.526 -0.239 1
1 433 . 8 1 1 A 39 39 ALA CA C 378 52.028 51.576 0.452 1
1 434 . 8 1 1 A 39 39 ALA CB C 378 19.540 21.730 -2.190 1
1 435 . 8 1 1 A 39 39 ALA N N 378 126.053 116.963 9.090 1
1 436 . 8 1 1 A 40 40 CYS H H 379 8.480 8.778 -0.298 1
1 437 . 8 1 1 A 40 40 CYS HA H 379 4.344 4.991 -0.647 1
1 440 . 8 1 1 A 40 40 CYS CA C 379 60.092 57.723 2.369 1
1 441 . 8 1 1 A 40 40 CYS CB C 379 30.138 31.119 -0.981 1
1 442 . 8 1 1 A 40 40 CYS N N 379 123.787 117.424 6.363 1
1 443 . 8 1 1 A 41 41 SER HA H 380 4.588 4.690 -0.102 1
1 446 . 8 1 1 A 41 41 SER CA C 380 57.788 58.121 -0.333 1
1 447 . 8 1 1 A 41 41 SER CB C 380 63.779 65.237 -1.458 1
1 448 . 8 1 1 A 42 42 LEU H H 381 8.642 7.401 1.241 1
1 449 . 8 1 1 A 42 42 LEU HA H 381 4.488 4.421 0.067 1
1 459 . 8 1 1 A 42 42 LEU CA C 381 53.871 51.816 2.055 1
1 460 . 8 1 1 A 42 42 LEU CB C 381 41.659 42.058 -0.399 1
1 464 . 8 1 1 A 42 42 LEU N N 381 129.074 124.124 4.950 1
1 465 . 8 1 1 A 43 43 PRO HA H 382 4.095 4.174 -0.079 1
1 472 . 8 1 1 A 43 43 PRO CA C 382 64.470 64.753 -0.283 1
1 473 . 8 1 1 A 43 43 PRO CB C 382 31.751 31.563 0.188 1
1 476 . 8 1 1 A 44 44 HIS H H 383 8.014 8.083 -0.069 1
1 477 . 8 1 1 A 44 44 HIS HA H 383 4.527 4.974 -0.447 1
1 482 . 8 1 1 A 44 44 HIS CA C 383 58.249 55.054 3.195 1
1 483 . 8 1 1 A 44 44 HIS CB C 383 30.369 30.355 0.014 1
1 486 . 8 1 1 A 44 44 HIS N N 383 110.569 113.578 -3.009 1
1 487 . 8 1 1 A 45 45 CYS H H 384 7.729 7.753 -0.024 1
1 488 . 8 1 1 A 45 45 CYS HA H 384 4.023 3.926 0.097 1
1 491 . 8 1 1 A 45 45 CYS CA C 384 64.470 62.697 1.773 1
1 492 . 8 1 1 A 45 45 CYS CB C 384 28.756 26.600 2.156 1
1 493 . 8 1 1 A 45 45 CYS N N 384 124.165 120.749 3.416 1
1 494 . 8 1 1 A 46 46 ARG H H 385 8.239 8.105 0.134 1
1 495 . 8 1 1 A 46 46 ARG HA H 385 3.978 4.131 -0.153 1
1 502 . 8 1 1 A 46 46 ARG CA C 385 59.401 58.690 0.711 1
1 503 . 8 1 1 A 46 46 ARG CB C 385 28.986 29.777 -0.791 1
1 506 . 8 1 1 A 46 46 ARG N N 385 116.612 119.248 -2.636 1
1 507 . 8 1 1 A 47 47 THR H H 386 7.496 8.078 -0.582 1
1 508 . 8 1 1 A 47 47 THR HA H 386 4.008 3.927 0.081 1
1 513 . 8 1 1 A 47 47 THR CA C 386 65.853 67.078 -1.225 1
1 514 . 8 1 1 A 47 47 THR CB C 386 68.387 68.656 -0.269 1
1 516 . 8 1 1 A 47 47 THR N N 386 114.346 116.581 -2.235 1
1 517 . 8 1 1 A 48 48 MET H H 387 8.216 8.283 -0.067 1
1 518 . 8 1 1 A 48 48 MET HA H 387 4.622 4.037 0.585 1
1 526 . 8 1 1 A 48 48 MET CA C 387 56.636 59.175 -2.539 1
1 527 . 8 1 1 A 48 48 MET CB C 387 31.291 32.765 -1.474 1
1 530 . 8 1 1 A 48 48 MET N N 387 119.444 118.346 1.098 1
1 531 . 8 1 1 A 49 49 LYS H H 388 9.306 8.292 1.014 1
1 532 . 8 1 1 A 49 49 LYS HA H 388 3.923 3.978 -0.055 1
1 541 . 8 1 1 A 49 49 LYS CA C 388 61.244 60.266 0.978 1
1 542 . 8 1 1 A 49 49 LYS CB C 388 32.903 32.333 0.570 1
1 546 . 8 1 1 A 49 49 LYS N N 388 122.276 117.739 4.537 1
1 547 . 8 1 1 A 50 50 ASN H H 389 8.069 8.049 0.020 1
1 548 . 8 1 1 A 50 50 ASN HA H 389 4.629 4.619 0.010 1
1 553 . 8 1 1 A 50 50 ASN CA C 389 56.175 56.170 0.005 1
1 554 . 8 1 1 A 50 50 ASN CB C 389 37.512 38.676 -1.164 1
1 555 . 8 1 1 A 50 50 ASN N N 389 117.178 117.982 -0.804 1
1 557 . 8 1 1 A 51 51 VAL H H 390 8.116 7.798 0.318 1
1 558 . 8 1 1 A 51 51 VAL HA H 390 3.803 3.725 0.078 1
1 566 . 8 1 1 A 51 51 VAL CA C 390 67.235 66.370 0.865 1
1 567 . 8 1 1 A 51 51 VAL CB C 390 31.751 31.548 0.203 1
1 570 . 8 1 1 A 51 51 VAL N N 390 123.598 120.152 3.446 1
1 571 . 8 1 1 A 52 52 LEU H H 391 8.735 8.495 0.240 1
1 572 . 8 1 1 A 52 52 LEU HA H 391 4.123 4.049 0.074 1
1 582 . 8 1 1 A 52 52 LEU CA C 391 58.479 58.251 0.228 1
1 583 . 8 1 1 A 52 52 LEU CB C 391 41.659 41.590 0.069 1
1 587 . 8 1 1 A 52 52 LEU N N 391 120.955 119.772 1.183 1
1 588 . 8 1 1 A 53 53 ASN H H 392 8.231 8.408 -0.177 1
1 589 . 8 1 1 A 53 53 ASN HA H 392 4.561 4.628 -0.067 1
1 594 . 8 1 1 A 53 53 ASN CA C 392 56.175 56.626 -0.451 1
1 595 . 8 1 1 A 53 53 ASN CB C 392 38.433 37.730 0.703 1
1 596 . 8 1 1 A 53 53 ASN N N 392 116.801 116.706 0.095 1
1 598 . 8 1 1 A 54 54 HIS H H 393 8.049 8.257 -0.208 1
1 599 . 8 1 1 A 54 54 HIS HA H 393 4.418 4.344 0.074 1
1 604 . 8 1 1 A 54 54 HIS CA C 393 59.401 60.027 -0.626 1
1 605 . 8 1 1 A 54 54 HIS CB C 393 27.604 30.029 -2.425 1
1 608 . 8 1 1 A 54 54 HIS N N 393 120.011 120.879 -0.868 1
1 609 . 8 1 1 A 55 55 MET H H 394 9.118 8.542 0.576 1
1 610 . 8 1 1 A 55 55 MET HA H 394 3.704 3.996 -0.292 1
1 618 . 8 1 1 A 55 55 MET CA C 394 59.401 58.483 0.918 1
1 619 . 8 1 1 A 55 55 MET CB C 394 34.286 32.561 1.725 1
1 622 . 8 1 1 A 55 55 MET N N 394 119.066 116.893 2.173 1
1 623 . 8 1 1 A 56 56 THR H H 395 7.521 7.878 -0.357 1
1 624 . 8 1 1 A 56 56 THR HA H 395 3.915 4.094 -0.179 1
1 629 . 8 1 1 A 56 56 THR CA C 395 65.392 64.506 0.886 1
1 630 . 8 1 1 A 56 56 THR CB C 395 69.309 68.416 0.893 1
1 632 . 8 1 1 A 56 56 THR N N 395 110.758 115.471 -4.713 1
1 633 . 8 1 1 A 57 57 HIS H H 396 7.023 7.838 -0.815 1
1 634 . 8 1 1 A 57 57 HIS HA H 396 4.846 4.727 0.119 1
1 639 . 8 1 1 A 57 57 HIS CA C 396 55.023 56.201 -1.178 1
1 640 . 8 1 1 A 57 57 HIS CB C 396 30.830 31.588 -0.758 1
1 643 . 8 1 1 A 57 57 HIS N N 396 115.668 115.178 0.490 1
1 644 . 8 1 1 A 58 58 CYS H H 397 7.134 7.613 -0.479 1
1 645 . 8 1 1 A 58 58 CYS HA H 397 4.048 4.109 -0.061 1
1 648 . 8 1 1 A 58 58 CYS CA C 397 60.784 59.999 0.785 1
1 649 . 8 1 1 A 58 58 CYS CB C 397 29.678 28.005 1.673 1
1 650 . 8 1 1 A 58 58 CYS N N 397 123.598 118.242 5.356 1
1 651 . 8 1 1 A 59 59 GLN HA H 398 4.710 4.685 0.025 1
1 656 . 8 1 1 A 59 59 GLN CA C 398 55.023 55.750 -0.727 1
1 657 . 8 1 1 A 59 59 GLN CB C 398 29.678 29.949 -0.271 1
1 659 . 8 1 1 A 60 60 ALA H H 399 8.689 7.879 0.810 1
1 660 . 8 1 1 A 60 60 ALA HA H 399 4.414 4.220 0.194 1
1 664 . 8 1 1 A 60 60 ALA CA C 399 52.949 52.524 0.425 1
1 665 . 8 1 1 A 60 60 ALA CB C 399 20.001 19.623 0.378 1
1 666 . 8 1 1 A 60 60 ALA N N 399 124.731 121.985 2.746 1
1 667 . 8 1 1 A 61 61 GLY H H 400 8.166 8.269 -0.103 1
1 668 . 8 1 1 A 61 61 GLY HA2 H 400 3.621 3.849 -0.228 1
1 669 . 8 1 1 A 61 61 GLY HA3 H 400 3.976 3.860 0.116 1
1 670 . 8 1 1 A 61 61 GLY CA C 400 46.267 47.222 -0.955 1
1 671 . 8 1 1 A 61 61 GLY N N 400 107.926 107.050 0.876 1
1 672 . 8 1 1 A 62 62 LYS HA H 401 4.138 4.059 0.079 1
1 673 . 8 1 1 A 62 62 LYS CA C 401 58.479 58.619 -0.140 1
1 674 . 8 1 1 A 63 63 ALA H H 402 7.671 7.490 0.181 1
1 675 . 8 1 1 A 63 63 ALA HA H 402 4.448 4.427 0.021 1
1 679 . 8 1 1 A 63 63 ALA CA C 402 51.336 51.836 -0.500 1
1 680 . 8 1 1 A 63 63 ALA CB C 402 19.079 19.440 -0.361 1
1 681 . 8 1 1 A 63 63 ALA N N 402 119.444 118.792 0.652 1
1 682 . 8 1 1 A 64 64 CYS H H 403 7.497 7.583 -0.086 1
1 683 . 8 1 1 A 64 64 CYS HA H 403 3.857 4.440 -0.583 1
1 686 . 8 1 1 A 64 64 CYS CA C 403 62.396 59.436 2.960 1
1 687 . 8 1 1 A 64 64 CYS CB C 403 29.908 28.597 1.311 1
1 688 . 8 1 1 A 64 64 CYS N N 403 121.899 118.449 3.450 1
1 689 . 8 1 1 A 65 65 GLN H H 404 9.025 8.971 0.054 1
1 690 . 8 1 1 A 65 65 GLN HA H 404 4.463 4.522 -0.059 1
1 697 . 8 1 1 A 65 65 GLN CA C 404 55.673 55.544 0.129 1
1 698 . 8 1 1 A 65 65 GLN CB C 404 29.332 29.859 -0.527 1
1 700 . 8 1 1 A 65 65 GLN N N 404 128.885 122.560 6.325 1
1 702 . 8 1 1 A 66 66 VAL H H 405 9.337 7.222 2.115 1
1 703 . 8 1 1 A 66 66 VAL HA H 405 3.631 4.086 -0.455 1
1 711 . 8 1 1 A 66 66 VAL CA C 405 64.240 62.715 1.525 1
1 712 . 8 1 1 A 66 66 VAL CB C 405 30.830 31.416 -0.586 1
1 715 . 8 1 1 A 66 66 VAL N N 405 127.752 120.797 6.955 1
1 716 . 8 1 1 A 67 67 ALA H H 406 8.581 8.826 -0.245 1
1 717 . 8 1 1 A 67 67 ALA HA H 406 3.761 3.890 -0.129 1
1 721 . 8 1 1 A 67 67 ALA CA C 406 54.101 55.318 -1.217 1
1 722 . 8 1 1 A 67 67 ALA CB C 406 17.467 18.220 -0.753 1
1 723 . 8 1 1 A 67 67 ALA N N 406 133.983 129.388 4.595 1
1 724 . 8 1 1 A 68 68 HIS H H 407 8.099 7.568 0.531 1
1 725 . 8 1 1 A 68 68 HIS HA H 407 4.407 4.395 0.012 1
1 730 . 8 1 1 A 68 68 HIS CA C 407 57.327 58.306 -0.979 1
1 731 . 8 1 1 A 68 68 HIS CB C 407 29.447 30.162 -0.715 1
1 734 . 8 1 1 A 68 68 HIS N N 407 110.569 114.430 -3.861 1
1 735 . 8 1 1 A 69 69 CYS H H 408 8.086 8.129 -0.043 1
1 736 . 8 1 1 A 69 69 CYS HA H 408 4.163 4.024 0.139 1
1 739 . 8 1 1 A 69 69 CYS CA C 408 64.240 62.582 1.658 1
1 740 . 8 1 1 A 69 69 CYS CB C 408 29.908 26.713 3.195 1
1 741 . 8 1 1 A 69 69 CYS N N 408 126.619 118.472 8.147 1
1 742 . 8 1 1 A 70 70 ALA H H 409 8.728 8.078 0.650 1
1 743 . 8 1 1 A 70 70 ALA HA H 409 4.333 4.049 0.284 1
1 747 . 8 1 1 A 70 70 ALA CA C 409 55.253 55.402 -0.149 1
1 748 . 8 1 1 A 70 70 ALA CB C 409 17.697 18.057 -0.360 1
1 749 . 8 1 1 A 70 70 ALA N N 409 118.689 123.169 -4.480 1
1 750 . 8 1 1 A 71 71 SER H H 410 9.179 8.122 1.057 1
1 751 . 8 1 1 A 71 71 SER HA H 410 4.138 4.103 0.035 1
1 754 . 8 1 1 A 71 71 SER CA C 410 60.323 61.809 -1.486 1
1 755 . 8 1 1 A 71 71 SER CB C 410 61.244 62.867 -1.623 1
1 756 . 8 1 1 A 71 71 SER N N 410 114.535 113.773 0.762 1
1 757 . 8 1 1 A 72 72 SER H H 411 7.937 8.288 -0.351 1
1 758 . 8 1 1 A 72 72 SER HA H 411 4.048 4.179 -0.131 1
1 762 . 8 1 1 A 72 72 SER CA C 411 64.240 61.668 2.572 1
1 763 . 8 1 1 A 72 72 SER CB C 411 62.396 62.853 -0.457 1
1 764 . 8 1 1 A 72 72 SER N N 411 120.766 117.400 3.366 1
1 765 . 8 1 1 A 73 73 ARG H H 412 8.835 8.039 0.796 1
1 766 . 8 1 1 A 73 73 ARG HA H 412 3.855 3.983 -0.128 1
1 773 . 8 1 1 A 73 73 ARG CA C 412 60.323 59.429 0.894 1
1 774 . 8 1 1 A 73 73 ARG CB C 412 30.369 29.862 0.507 1
1 777 . 8 1 1 A 73 73 ARG N N 412 122.276 121.528 0.748 1
1 778 . 8 1 1 A 74 74 GLN H H 413 7.873 7.426 0.447 1
1 779 . 8 1 1 A 74 74 GLN HA H 413 4.182 4.234 -0.052 1
1 786 . 8 1 1 A 74 74 GLN CA C 413 58.710 58.243 0.467 1
1 787 . 8 1 1 A 74 74 GLN CB C 413 29.447 28.722 0.725 1
1 789 . 8 1 1 A 74 74 GLN N N 413 118.689 118.651 0.038 1
1 791 . 8 1 1 A 75 75 ILE H H 414 8.754 8.431 0.323 1
1 792 . 8 1 1 A 75 75 ILE HA H 414 3.617 3.959 -0.342 1
1 802 . 8 1 1 A 75 75 ILE CA C 414 66.544 64.456 2.088 1
1 803 . 8 1 1 A 75 75 ILE CB C 414 38.664 37.419 1.245 1
1 807 . 8 1 1 A 75 75 ILE N N 414 121.710 120.147 1.563 1
1 808 . 8 1 1 A 76 76 ILE H H 415 8.856 8.260 0.596 1
1 809 . 8 1 1 A 76 76 ILE HA H 415 3.863 3.606 0.257 1
1 819 . 8 1 1 A 76 76 ILE CA C 415 64.701 65.236 -0.535 1
1 820 . 8 1 1 A 76 76 ILE CB C 415 37.051 37.684 -0.633 1
1 824 . 8 1 1 A 76 76 ILE N N 415 120.199 123.026 -2.827 1
1 825 . 8 1 1 A 77 77 SER H H 416 7.981 8.097 -0.116 1
1 826 . 8 1 1 A 77 77 SER HA H 416 4.153 4.196 -0.043 1
1 829 . 8 1 1 A 77 77 SER CA C 416 62.166 61.935 0.231 1
1 830 . 8 1 1 A 77 77 SER CB C 416 62.627 62.978 -0.351 1
1 831 . 8 1 1 A 77 77 SER N N 416 114.346 116.260 -1.914 1
1 832 . 8 1 1 A 78 78 HIS H H 417 8.126 7.297 0.829 1
1 833 . 8 1 1 A 78 78 HIS HA H 417 4.154 4.421 -0.267 1
1 838 . 8 1 1 A 78 78 HIS CA C 417 60.553 59.506 1.047 1
1 839 . 8 1 1 A 78 78 HIS CB C 417 28.065 30.220 -2.155 1
1 842 . 8 1 1 A 78 78 HIS N N 417 118.878 121.248 -2.370 1
1 843 . 8 1 1 A 79 79 TRP H H 418 8.417 8.359 0.058 1
1 844 . 8 1 1 A 79 79 TRP HA H 418 4.451 4.170 0.281 1
1 853 . 8 1 1 A 79 79 TRP CA C 418 59.862 60.140 -0.278 1
1 854 . 8 1 1 A 79 79 TRP CB C 418 30.369 29.716 0.653 1
1 860 . 8 1 1 A 79 79 TRP N N 418 119.255 121.464 -2.209 1
1 862 . 8 1 1 A 80 80 LYS H H 419 8.412 8.004 0.408 1
1 863 . 8 1 1 A 80 80 LYS HA H 419 3.714 3.973 -0.259 1
1 872 . 8 1 1 A 80 80 LYS CA C 419 58.710 58.400 0.310 1
1 873 . 8 1 1 A 80 80 LYS CB C 419 32.673 32.280 0.393 1
1 877 . 8 1 1 A 80 80 LYS N N 419 115.101 118.301 -3.200 1
1 878 . 8 1 1 A 81 81 ASN H H 420 7.416 7.789 -0.373 1
1 879 . 8 1 1 A 81 81 ASN HA H 420 4.713 4.754 -0.041 1
1 884 . 8 1 1 A 81 81 ASN CA C 420 53.410 53.857 -0.447 1
1 885 . 8 1 1 A 81 81 ASN CB C 420 40.737 41.240 -0.503 1
1 886 . 8 1 1 A 81 81 ASN N N 420 113.968 114.730 -0.762 1
1 888 . 8 1 1 A 82 82 CYS H H 421 7.617 7.622 -0.005 1
1 889 . 8 1 1 A 82 82 CYS HA H 421 3.986 4.258 -0.272 1
1 892 . 8 1 1 A 82 82 CYS CA C 421 61.244 59.169 2.075 1
1 893 . 8 1 1 A 82 82 CYS CB C 421 28.756 27.477 1.279 1
1 894 . 8 1 1 A 82 82 CYS N N 421 124.354 118.632 5.722 1
1 895 . 8 1 1 A 83 83 THR H H 422 8.535 8.408 0.127 1
1 896 . 8 1 1 A 83 83 THR HA H 422 4.527 4.296 0.231 1
1 901 . 8 1 1 A 83 83 THR CA C 422 60.553 62.589 -2.036 1
1 902 . 8 1 1 A 83 83 THR CB C 422 69.309 69.503 -0.194 1
1 904 . 8 1 1 A 83 83 THR N N 422 118.500 118.885 -0.385 1
1 905 . 8 1 1 A 84 84 ARG HA H 423 4.448 4.253 0.195 1
1 912 . 8 1 1 A 84 84 ARG CA C 423 56.175 55.837 0.338 1
1 913 . 8 1 1 A 84 84 ARG CB C 423 31.521 30.741 0.780 1
1 916 . 8 1 1 A 85 85 HIS HA H 424 4.391 4.512 -0.121 1
1 921 . 8 1 1 A 85 85 HIS CA C 424 58.479 57.083 1.396 1
1 922 . 8 1 1 A 85 85 HIS CB C 424 30.138 29.689 0.449 1
1 925 . 8 1 1 A 86 86 ASP H H 425 7.962 7.982 -0.020 1
1 926 . 8 1 1 A 86 86 ASP HA H 425 4.525 4.692 -0.167 1
1 929 . 8 1 1 A 86 86 ASP CA C 425 51.567 53.174 -1.607 1
1 930 . 8 1 1 A 86 86 ASP CB C 425 39.585 41.718 -2.133 1
1 931 . 8 1 1 A 86 86 ASP N N 425 116.612 116.265 0.347 1
1 932 . 8 1 1 A 87 87 CYS H H 426 6.974 7.320 -0.346 1
1 933 . 8 1 1 A 87 87 CYS HA H 426 4.247 4.461 -0.214 1
1 936 . 8 1 1 A 87 87 CYS CA C 426 57.558 57.656 -0.098 1
1 937 . 8 1 1 A 87 87 CYS CB C 426 31.291 28.569 2.722 1
1 938 . 8 1 1 A 87 87 CYS N N 426 122.276 120.988 1.288 1
1 939 . 8 1 1 A 88 88 PRO HA H 427 4.445 4.304 0.141 1
1 944 . 8 1 1 A 88 88 PRO CA C 427 64.009 65.512 -1.503 1
1 945 . 8 1 1 A 88 88 PRO CB C 427 32.558 31.817 0.741 1
1 947 . 8 1 1 A 89 89 VAL H H 428 8.460 7.366 1.094 1
1 948 . 8 1 1 A 89 89 VAL HA H 428 3.719 3.778 -0.059 1
1 956 . 8 1 1 A 89 89 VAL CA C 428 65.622 65.680 -0.058 1
1 957 . 8 1 1 A 89 89 VAL CB C 428 33.134 31.683 1.451 1
1 960 . 8 1 1 A 89 89 VAL N N 428 119.822 115.707 4.115 1
1 961 . 8 1 1 A 90 90 CYS H H 429 8.729 7.958 0.771 1
1 962 . 8 1 1 A 90 90 CYS HA H 429 4.225 4.277 -0.052 1
1 965 . 8 1 1 A 90 90 CYS CA C 429 63.779 62.497 1.282 1
1 966 . 8 1 1 A 90 90 CYS CB C 429 31.291 26.875 4.416 1
1 967 . 8 1 1 A 90 90 CYS N N 429 118.878 117.734 1.144 1
1 968 . 8 1 1 A 91 91 LEU H H 430 7.907 7.947 -0.040 1
1 969 . 8 1 1 A 91 91 LEU HA H 430 4.214 4.096 0.118 1
1 979 . 8 1 1 A 91 91 LEU CA C 430 60.323 60.264 0.059 1
1 980 . 8 1 1 A 91 91 LEU CB C 430 39.125 40.286 -1.161 1
1 984 . 8 1 1 A 91 91 LEU N N 430 118.878 123.267 -4.389 1
1 985 . 8 1 1 A 92 92 PRO HA H 431 4.460 4.310 0.150 1
1 992 . 8 1 1 A 92 92 PRO CA C 431 65.161 66.203 -1.042 1
1 993 . 8 1 1 A 92 92 PRO CB C 431 31.291 30.827 0.464 1
1 996 . 8 1 1 A 93 93 LEU H H 432 7.459 7.229 0.230 1
1 997 . 8 1 1 A 93 93 LEU HA H 432 4.359 3.833 0.526 1
1 1007 . 8 1 1 A 93 93 LEU CA C 432 55.945 57.390 -1.445 1
1 1008 . 8 1 1 A 93 93 LEU CB C 432 42.350 40.760 1.590 1
1 1012 . 8 1 1 A 93 93 LEU N N 432 115.290 115.425 -0.135 1
1 1013 . 8 1 1 A 94 94 LYS H H 433 7.975 8.461 -0.486 1
1 1014 . 8 1 1 A 94 94 LYS HA H 433 4.390 4.326 0.064 1
1 1022 . 8 1 1 A 94 94 LYS CA C 433 57.558 59.439 -1.881 1
1 1023 . 8 1 1 A 94 94 LYS CB C 433 33.134 32.092 1.042 1
1 1027 . 8 1 1 A 94 94 LYS N N 433 119.255 118.174 1.081 1
1 1028 . 8 1 1 A 95 95 ASN H H 434 8.368 8.222 0.146 1
1 1029 . 8 1 1 A 95 95 ASN HA H 434 4.733 4.492 0.241 1
1 1034 . 8 1 1 A 95 95 ASN CA C 434 53.410 56.158 -2.748 1
1 1035 . 8 1 1 A 95 95 ASN CB C 434 38.894 38.476 0.418 1
1 1036 . 8 1 1 A 95 95 ASN N N 434 117.934 118.206 -0.272 1
1 1038 . 8 1 1 A 96 96 ALA H H 435 8.040 8.413 -0.373 1
1 1039 . 8 1 1 A 96 96 ALA HA H 435 4.376 4.147 0.229 1
1 1043 . 8 1 1 A 96 96 ALA CA C 435 52.949 54.017 -1.068 1
1 1044 . 8 1 1 A 96 96 ALA CB C 435 19.310 18.444 0.866 1
1 1045 . 8 1 1 A 96 96 ALA N N 435 123.221 121.214 2.007 1
1 1046 . 8 1 1 A 97 97 SER H H 436 8.138 7.762 0.376 1
1 1047 . 8 1 1 A 97 97 SER HA H 436 4.450 4.637 -0.187 1
1 1050 . 8 1 1 A 97 97 SER CA C 436 58.710 57.351 1.359 1
1 1051 . 8 1 1 A 97 97 SER CB C 436 63.779 64.299 -0.520 1
1 1052 . 8 1 1 A 97 97 SER N N 436 113.591 109.045 4.546 1
1 1053 . 8 1 1 A 98 98 ASP H H 437 8.214 7.964 0.250 1
1 1054 . 8 1 1 A 98 98 ASP HA H 437 4.662 4.659 0.003 1
1 1057 . 8 1 1 A 98 98 ASP CA C 437 54.332 54.880 -0.548 1
1 1058 . 8 1 1 A 98 98 ASP CB C 437 41.198 39.830 1.368 1
1 1059 . 8 1 1 A 98 98 ASP N N 437 121.521 120.853 0.668 1
1 1060 . 8 1 1 A 99 99 LYS H H 438 8.062 8.810 -0.748 1
1 1061 . 8 1 1 A 99 99 LYS HA H 438 4.363 4.043 0.320 1
1 1070 . 8 1 1 A 99 99 LYS CA C 438 55.945 59.406 -3.461 1
1 1071 . 8 1 1 A 99 99 LYS CB C 438 32.720 32.109 0.611 1
1 1075 . 8 1 1 A 99 99 LYS N N 438 121.144 125.352 -4.208 1
1 1092 . 8 2 2 B 2 2 SER HA H 783 4.524 4.298 0.226 1
1 1095 . 8 2 2 B 2 2 SER CA C 783 58.053 61.636 -3.583 1
1 1096 . 8 2 2 B 2 2 SER CB C 783 64.502 63.210 1.292 1
1 1097 . 8 2 2 B 3 3 HIS HA H 784 4.721 4.889 -0.168 1
1 1102 . 8 2 2 B 3 3 HIS CA C 784 55.750 56.903 -1.153 1
1 1103 . 8 2 2 B 3 3 HIS CB C 784 30.167 32.675 -2.508 1
1 1106 . 8 2 2 B 4 4 MET HA H 785 4.495 4.699 -0.204 1
1 1114 . 8 2 2 B 4 4 MET CA C 785 55.058 54.236 0.822 1
1 1115 . 8 2 2 B 4 4 MET CB C 785 32.727 35.694 -2.967 1
1 1118 . 8 2 2 B 5 5 VAL H H 786 8.163 8.558 -0.395 1
1 1119 . 8 2 2 B 5 5 VAL HA H 786 4.464 4.331 0.133 1
1 1127 . 8 2 2 B 5 5 VAL CA C 786 59.478 60.986 -1.508 1
1 1128 . 8 2 2 B 5 5 VAL CB C 786 32.606 31.613 0.993 1
1 1131 . 8 2 2 B 5 5 VAL N N 786 122.854 122.651 0.203 1
1 1132 . 8 2 2 B 6 6 PRO HA H 787 4.437 4.666 -0.229 1
1 1137 . 8 2 2 B 6 6 PRO CA C 787 62.667 62.855 -0.188 1
1 1138 . 8 2 2 B 6 6 PRO CB C 787 32.010 32.703 -0.693 1
1 1140 . 8 2 2 B 7 7 GLU H H 788 8.306 8.925 -0.619 1
1 1141 . 8 2 2 B 7 7 GLU HA H 788 4.654 4.655 -0.001 1
1 1146 . 8 2 2 B 7 7 GLU CA C 788 53.568 54.044 -0.476 1
1 1147 . 8 2 2 B 7 7 GLU CB C 788 30.011 33.059 -3.048 1
1 1149 . 8 2 2 B 7 7 GLU N N 788 123.231 123.201 0.030 1
1 1150 . 8 2 2 B 8 8 PRO HA H 789 4.490 4.511 -0.021 1
1 1157 . 8 2 2 B 8 8 PRO CA C 789 62.253 62.666 -0.413 1
1 1158 . 8 2 2 B 8 8 PRO CB C 789 32.483 32.179 0.304 1
1 1161 . 8 2 2 B 9 9 ASP H H 790 8.272 8.484 -0.212 1
1 1162 . 8 2 2 B 9 9 ASP HA H 790 4.456 4.577 -0.121 1
1 1165 . 8 2 2 B 9 9 ASP CA C 790 54.137 54.202 -0.065 1
1 1166 . 8 2 2 B 9 9 ASP CB C 790 41.016 40.614 0.402 1
1 1167 . 8 2 2 B 9 9 ASP N N 790 118.511 120.370 -1.859 1
1 1168 . 8 2 2 B 10 10 LEU H H 791 8.463 8.270 0.193 1
1 1169 . 8 2 2 B 10 10 LEU HA H 791 4.356 4.314 0.042 1
1 1179 . 8 2 2 B 10 10 LEU CA C 791 52.531 53.293 -0.762 1
1 1180 . 8 2 2 B 10 10 LEU CB C 791 42.609 43.099 -0.490 1
1 1184 . 8 2 2 B 10 10 LEU N N 791 121.343 126.513 -5.170 1
1 1185 . 8 2 2 B 11 11 PRO HA H 792 4.553 4.485 0.068 1
1 1192 . 8 2 2 B 11 11 PRO CA C 792 62.788 63.323 -0.535 1
1 1193 . 8 2 2 B 11 11 PRO CB C 792 32.716 32.258 0.458 1
1 1196 . 8 2 2 B 12 12 HIS HA H 793 3.989 4.031 -0.042 1
1 1201 . 8 2 2 B 12 12 HIS CA C 793 60.326 59.968 0.358 1
1 1202 . 8 2 2 B 12 12 HIS CB C 793 30.803 30.206 0.597 1
1 1205 . 8 2 2 B 13 13 ASP H H 794 8.938 8.834 0.104 1
1 1206 . 8 2 2 B 13 13 ASP HA H 794 4.460 4.435 0.025 1
1 1209 . 8 2 2 B 13 13 ASP CA C 794 54.581 56.738 -2.157 1
1 1210 . 8 2 2 B 13 13 ASP CB C 794 38.061 39.584 -1.523 1
1 1211 . 8 2 2 B 13 13 ASP N N 794 114.734 118.242 -3.508 1
1 1212 . 8 2 2 B 14 14 LEU H H 795 7.674 7.784 -0.110 1
1 1213 . 8 2 2 B 14 14 LEU HA H 795 4.546 4.263 0.283 1
1 1223 . 8 2 2 B 14 14 LEU CA C 795 53.478 56.008 -2.530 1
1 1224 . 8 2 2 B 14 14 LEU CB C 795 43.597 42.129 1.468 1
1 1228 . 8 2 2 B 14 14 LEU N N 795 116.056 119.791 -3.735 1
1 1229 . 8 2 2 B 15 15 ARG H H 796 7.225 8.165 -0.940 1
1 1230 . 8 2 2 B 15 15 ARG HA H 796 3.809 3.894 -0.085 1
1 1237 . 8 2 2 B 15 15 ARG CA C 796 58.744 59.603 -0.859 1
1 1238 . 8 2 2 B 15 15 ARG CB C 796 30.413 29.850 0.563 1
1 1241 . 8 2 2 B 15 15 ARG N N 796 116.434 119.612 -3.178 1
1 1242 . 8 2 2 B 16 16 HIS HA H 797 4.703 4.424 0.279 1
1 1247 . 8 2 2 B 16 16 HIS CA C 797 55.289 58.943 -3.654 1
1 1248 . 8 2 2 B 16 16 HIS CB C 797 29.538 30.280 -0.742 1
1 1251 . 8 2 2 B 17 17 LEU H H 798 6.982 7.331 -0.349 1
1 1252 . 8 2 2 B 17 17 LEU HA H 798 4.071 4.111 -0.040 1
1 1262 . 8 2 2 B 17 17 LEU CA C 798 54.807 55.533 -0.726 1
1 1263 . 8 2 2 B 17 17 LEU CB C 798 42.206 42.293 -0.087 1
1 1267 . 8 2 2 B 17 17 LEU N N 798 120.399 120.406 -0.007 1
1 1268 . 8 2 2 B 18 18 ASN H H 799 8.789 8.637 0.152 1
1 1269 . 8 2 2 B 18 18 ASN HA H 799 4.857 4.872 -0.015 1
1 1274 . 8 2 2 B 18 18 ASN CA C 799 52.166 52.729 -0.563 1
1 1275 . 8 2 2 B 18 18 ASN CB C 799 37.842 38.259 -0.417 1
1 1276 . 8 2 2 B 18 18 ASN N N 799 121.343 123.083 -1.740 1
1 1278 . 8 2 2 B 19 19 THR H H 800 8.585 8.572 0.013 1
1 1279 . 8 2 2 B 19 19 THR HA H 800 4.522 4.358 0.164 1
1 1284 . 8 2 2 B 19 19 THR CA C 800 62.143 63.557 -1.414 1
1 1285 . 8 2 2 B 19 19 THR CB C 800 68.865 69.079 -0.214 1
1 1287 . 8 2 2 B 19 19 THR N N 800 115.301 117.937 -2.636 1
1 1288 . 8 2 2 B 20 20 GLU H H 801 8.415 8.248 0.167 1
1 1289 . 8 2 2 B 20 20 GLU HA H 801 4.337 4.157 0.180 1
1 1294 . 8 2 2 B 20 20 GLU CA C 801 61.496 62.393 -0.897 1
1 1295 . 8 2 2 B 20 20 GLU CB C 801 26.493 27.974 -1.481 1
1 1297 . 8 2 2 B 20 20 GLU N N 801 125.119 123.011 2.108 1
1 1298 . 8 2 2 B 21 21 PRO HA H 802 4.422 4.316 0.106 1
1 1305 . 8 2 2 B 21 21 PRO CA C 802 64.520 65.075 -0.555 1
1 1306 . 8 2 2 B 21 21 PRO CB C 802 31.355 30.919 0.436 1
1 1309 . 8 2 2 B 22 22 MET H H 803 7.303 7.651 -0.348 1
1 1310 . 8 2 2 B 22 22 MET HA H 803 4.062 3.994 0.068 1
1 1318 . 8 2 2 B 22 22 MET CA C 803 55.686 57.727 -2.041 1
1 1319 . 8 2 2 B 22 22 MET CB C 803 33.481 31.871 1.610 1
1 1322 . 8 2 2 B 22 22 MET N N 803 110.769 116.160 -5.391 1
1 1323 . 8 2 2 B 23 23 GLU H H 804 7.624 7.642 -0.018 1
1 1324 . 8 2 2 B 23 23 GLU HA H 804 3.918 3.936 -0.018 1
1 1329 . 8 2 2 B 23 23 GLU CA C 804 59.221 59.150 0.071 1
1 1330 . 8 2 2 B 23 23 GLU CB C 804 28.993 29.414 -0.421 1
1 1332 . 8 2 2 B 23 23 GLU N N 804 118.699 118.297 0.402 1
1 1333 . 8 2 2 B 24 24 ILE H H 805 6.626 6.714 -0.088 1
1 1334 . 8 2 2 B 24 24 ILE HA H 805 3.999 3.717 0.282 1
1 1344 . 8 2 2 B 24 24 ILE CA C 805 62.734 63.865 -1.131 1
1 1345 . 8 2 2 B 24 24 ILE CB C 805 37.574 36.947 0.627 1
1 1349 . 8 2 2 B 24 24 ILE N N 805 111.524 116.325 -4.801 1
1 1350 . 8 2 2 B 25 25 PHE H H 806 7.515 7.521 -0.006 1
1 1351 . 8 2 2 B 25 25 PHE HA H 806 4.524 4.408 0.116 1
1 1358 . 8 2 2 B 25 25 PHE CA C 806 55.760 61.750 -5.990 1
1 1359 . 8 2 2 B 25 25 PHE CB C 806 38.464 38.263 0.201 1
1 1362 . 8 2 2 B 25 25 PHE N N 806 118.322 121.045 -2.723 1
1 1363 . 8 2 2 B 26 26 ARG H H 807 7.368 7.762 -0.394 1
1 1364 . 8 2 2 B 26 26 ARG HA H 807 4.024 4.113 -0.089 1
1 1371 . 8 2 2 B 26 26 ARG CA C 807 58.864 59.032 -0.168 1
1 1372 . 8 2 2 B 26 26 ARG CB C 807 30.872 29.886 0.986 1
1 1375 . 8 2 2 B 26 26 ARG N N 807 118.888 121.661 -2.773 1
1 1376 . 8 2 2 B 27 27 ASN H H 808 8.877 8.108 0.769 1
1 1377 . 8 2 2 B 27 27 ASN HA H 808 4.732 5.043 -0.311 1
1 1382 . 8 2 2 B 27 27 ASN CA C 808 53.413 51.998 1.415 1
1 1383 . 8 2 2 B 27 27 ASN CB C 808 38.244 39.557 -1.313 1
1 1384 . 8 2 2 B 27 27 ASN N N 808 117.000 117.547 -0.547 1
1 1386 . 8 2 2 B 28 28 SER H H 809 7.969 7.913 0.056 1
1 1387 . 8 2 2 B 28 28 SER HA H 809 4.440 4.726 -0.286 1
1 1390 . 8 2 2 B 28 28 SER CA C 809 60.606 57.943 2.663 1
1 1391 . 8 2 2 B 28 28 SER CB C 809 64.021 64.612 -0.591 1
1 1392 . 8 2 2 B 28 28 SER N N 809 114.356 116.443 -2.087 1
1 1393 . 8 2 2 B 29 29 VAL HA H 810 4.304 4.760 -0.456 1
1 1401 . 8 2 2 B 29 29 VAL CA C 810 60.803 60.285 0.518 1
1 1402 . 8 2 2 B 29 29 VAL CB C 810 34.232 36.765 -2.533 1
1 1405 . 8 2 2 B 30 30 LYS H H 811 8.707 8.502 0.205 1
1 1406 . 8 2 2 B 30 30 LYS HA H 811 4.552 4.699 -0.147 1
1 1415 . 8 2 2 B 30 30 LYS CA C 811 55.058 54.840 0.218 1
1 1416 . 8 2 2 B 30 30 LYS CB C 811 31.782 32.833 -1.051 1
1 1420 . 8 2 2 B 30 30 LYS N N 811 127.196 124.217 2.979 1
1 1421 . 8 2 2 B 31 31 ILE H H 812 8.604 8.323 0.281 1
1 1422 . 8 2 2 B 31 31 ILE HA H 812 3.662 3.700 -0.038 1
1 1432 . 8 2 2 B 31 31 ILE CA C 812 64.066 64.972 -0.906 1
1 1433 . 8 2 2 B 31 31 ILE CB C 812 37.726 37.794 -0.068 1
1 1437 . 8 2 2 B 31 31 ILE N N 812 125.497 124.822 0.675 1
1 1438 . 8 2 2 B 32 32 GLU H H 813 9.330 8.227 1.103 1
1 1439 . 8 2 2 B 32 32 GLU HA H 813 4.162 4.220 -0.058 1
1 1444 . 8 2 2 B 32 32 GLU CA C 813 58.096 57.580 0.516 1
1 1445 . 8 2 2 B 32 32 GLU CB C 813 28.834 30.232 -1.398 1
1 1447 . 8 2 2 B 32 32 GLU N N 813 118.888 118.867 0.021 1
1 1448 . 8 2 2 B 33 33 GLU H H 814 7.742 7.843 -0.101 1
1 1449 . 8 2 2 B 33 33 GLU HA H 814 4.334 4.271 0.063 1
1 1454 . 8 2 2 B 33 33 GLU CA C 814 56.441 58.278 -1.837 1
1 1455 . 8 2 2 B 33 33 GLU CB C 814 30.396 29.931 0.465 1
1 1457 . 8 2 2 B 33 33 GLU N N 814 117.566 118.661 -1.095 1
1 1458 . 8 2 2 B 34 34 ILE H H 815 7.598 7.374 0.224 1
1 1459 . 8 2 2 B 34 34 ILE HA H 815 4.216 3.771 0.445 1
1 1469 . 8 2 2 B 34 34 ILE CA C 815 61.047 64.859 -3.812 1
1 1470 . 8 2 2 B 34 34 ILE CB C 815 38.712 38.055 0.657 1
1 1474 . 8 2 2 B 34 34 ILE N N 815 117.566 118.501 -0.935 1
1 1475 . 8 2 2 B 35 35 MET H H 816 8.177 7.929 0.248 1
1 1476 . 8 2 2 B 35 35 MET HA H 816 4.733 4.563 0.170 1
1 1484 . 8 2 2 B 35 35 MET CA C 816 53.461 55.077 -1.616 1
1 1485 . 8 2 2 B 35 35 MET CB C 816 32.025 32.127 -0.102 1
1 1488 . 8 2 2 B 35 35 MET N N 816 122.665 121.210 1.455 1
1 1489 . 8 2 2 B 36 36 PRO HA H 817 4.743 4.421 0.322 1
1 1496 . 8 2 2 B 36 36 PRO CA C 817 62.542 63.937 -1.395 1
1 1497 . 8 2 2 B 36 36 PRO CB C 817 34.328 31.851 2.477 1
1 1500 . 8 2 2 B 37 37 ASN H H 818 8.374 8.064 0.310 1
1 1501 . 8 2 2 B 37 37 ASN HA H 818 4.752 4.400 0.352 1
1 1504 . 8 2 2 B 37 37 ASN CA C 818 52.995 53.954 -0.959 1
1 1505 . 8 2 2 B 37 37 ASN CB C 818 38.705 37.224 1.481 1
1 1506 . 8 2 2 B 37 37 ASN N N 818 117.378 117.217 0.161 1
1 1507 . 8 2 2 B 38 38 GLY H H 819 8.314 8.211 0.103 1
1 1508 . 8 2 2 B 38 38 GLY HA2 H 819 3.937 4.151 -0.214 1
1 1509 . 8 2 2 B 38 38 GLY HA3 H 819 3.994 4.152 -0.158 1
1 1510 . 8 2 2 B 38 38 GLY CA C 819 45.006 45.807 -0.801 1
1 1511 . 8 2 2 B 38 38 GLY N N 819 108.881 105.798 3.083 1
1 1512 . 8 2 2 B 39 39 ASP H H 820 8.157 7.759 0.398 1
1 1513 . 8 2 2 B 39 39 ASP HA H 820 4.939 5.061 -0.122 1
1 1516 . 8 2 2 B 39 39 ASP CA C 820 51.896 50.980 0.916 1
1 1517 . 8 2 2 B 39 39 ASP CB C 820 41.672 44.101 -2.429 1
1 1518 . 8 2 2 B 39 39 ASP N N 820 121.154 118.188 2.966 1
1 1519 . 8 2 2 B 40 40 PRO HA H 821 4.483 4.406 0.077 1
1 1526 . 8 2 2 B 40 40 PRO CA C 821 63.351 64.510 -1.159 1
1 1527 . 8 2 2 B 40 40 PRO CB C 821 32.066 32.083 -0.017 1
1 1530 . 8 2 2 B 41 41 LEU H H 822 8.440 7.581 0.859 1
1 1531 . 8 2 2 B 41 41 LEU HA H 822 4.262 4.058 0.204 1
1 1541 . 8 2 2 B 41 41 LEU CA C 822 55.539 57.157 -1.618 1
1 1542 . 8 2 2 B 41 41 LEU CB C 822 41.496 40.891 0.605 1
1 1546 . 8 2 2 B 41 41 LEU N N 822 119.644 118.926 0.718 1
1 1547 . 8 2 2 B 42 42 LEU H H 823 7.863 7.987 -0.124 1
1 1548 . 8 2 2 B 42 42 LEU HA H 823 4.353 4.034 0.319 1
1 1558 . 8 2 2 B 42 42 LEU CA C 823 54.598 57.469 -2.871 1
1 1559 . 8 2 2 B 42 42 LEU CB C 823 42.025 41.630 0.395 1
1 1563 . 8 2 2 B 42 42 LEU N N 823 120.399 120.011 0.388 1
1 1564 . 8 2 2 B 43 43 ALA H H 824 8.022 8.275 -0.253 1
1 1565 . 8 2 2 B 43 43 ALA HA H 824 4.330 4.091 0.239 1
1 1569 . 8 2 2 B 43 43 ALA CA C 824 52.539 55.599 -3.060 1
1 1570 . 8 2 2 B 43 43 ALA CB C 824 19.126 18.029 1.097 1
1 1571 . 8 2 2 B 43 43 ALA N N 824 123.420 121.408 2.012 1
1 1572 . 8 2 2 B 44 44 GLY H H 825 8.346 8.121 0.225 1
1 1573 . 8 2 2 B 44 44 GLY HA2 H 825 3.973 4.006 -0.033 1
1 1574 . 8 2 2 B 44 44 GLY HA3 H 825 3.973 4.007 -0.034 1
1 1575 . 8 2 2 B 44 44 GLY CA C 825 45.123 46.831 -1.708 1
1 1576 . 8 2 2 B 44 44 GLY N N 825 107.559 105.769 1.790 1
1 1577 . 8 2 2 B 45 45 GLN H H 826 8.204 7.900 0.304 1
1 1578 . 8 2 2 B 45 45 GLN HA H 826 4.377 4.545 -0.168 1
1 1585 . 8 2 2 B 45 45 GLN CA C 826 55.686 54.984 0.702 1
1 1586 . 8 2 2 B 45 45 GLN CB C 826 29.376 30.201 -0.825 1
1 1588 . 8 2 2 B 45 45 GLN N N 826 119.266 117.524 1.742 1
1 1590 . 8 2 2 B 46 46 ASN H H 827 8.556 8.277 0.279 1
1 1591 . 8 2 2 B 46 46 ASN HA H 827 4.824 4.963 -0.139 1
1 1596 . 8 2 2 B 46 46 ASN CA C 827 53.216 52.572 0.644 1
1 1597 . 8 2 2 B 46 46 ASN CB C 827 38.759 40.150 -1.391 1
1 1598 . 8 2 2 B 46 46 ASN N N 827 119.266 118.208 1.058 1
1 1600 . 8 2 2 B 47 47 THR H H 828 8.127 6.989 1.138 1
1 1601 . 8 2 2 B 47 47 THR HA H 828 4.414 4.727 -0.313 1
1 1606 . 8 2 2 B 47 47 THR CA C 828 61.564 59.674 1.890 1
1 1607 . 8 2 2 B 47 47 THR CB C 828 69.507 71.102 -1.595 1
1 1609 . 8 2 2 B 47 47 THR N N 828 113.790 110.993 2.797 1
1 1610 . 8 2 2 B 48 48 VAL H H 829 8.140 8.295 -0.155 1
1 1611 . 8 2 2 B 48 48 VAL HA H 829 4.091 3.618 0.473 1
1 1619 . 8 2 2 B 48 48 VAL CA C 829 62.146 63.138 -0.992 1
1 1620 . 8 2 2 B 48 48 VAL CB C 829 32.515 31.094 1.421 1
1 1623 . 8 2 2 B 48 48 VAL N N 829 120.776 121.743 -0.967 1
1 1624 . 8 2 2 B 49 49 ASP H H 830 8.287 8.607 -0.320 1
1 1625 . 8 2 2 B 49 49 ASP HA H 830 4.617 4.541 0.076 1
1 1628 . 8 2 2 B 49 49 ASP CA C 830 54.308 54.399 -0.091 1
1 1629 . 8 2 2 B 49 49 ASP CB C 830 41.241 42.612 -1.371 1
1 1630 . 8 2 2 B 49 49 ASP N N 830 123.042 128.072 -5.030 1
1 1631 . 8 2 2 B 50 50 GLU H H 831 8.242 8.988 -0.746 1
1 1632 . 8 2 2 B 50 50 GLU HA H 831 4.261 3.977 0.284 1
1 1637 . 8 2 2 B 50 50 GLU CA C 831 56.521 59.666 -3.145 1
1 1638 . 8 2 2 B 50 50 GLU CB C 831 30.209 29.394 0.815 1
1 1640 . 8 2 2 B 50 50 GLU N N 831 120.776 124.252 -3.476 1
1 1641 . 8 2 2 B 51 51 VAL H H 832 8.044 7.854 0.190 1
1 1642 . 8 2 2 B 51 51 VAL HA H 832 3.988 3.865 0.123 1
1 1650 . 8 2 2 B 51 51 VAL CA C 832 62.472 65.647 -3.175 1
1 1651 . 8 2 2 B 51 51 VAL CB C 832 32.278 31.177 1.101 1
1 1654 . 8 2 2 B 51 51 VAL N N 832 120.021 117.127 2.894 1
1 1655 . 8 2 2 B 52 52 TYR H H 833 8.148 7.827 0.321 1
1 1656 . 8 2 2 B 52 52 TYR HA H 833 4.598 4.214 0.384 1
1 1663 . 8 2 2 B 52 52 TYR CA C 833 57.743 61.216 -3.473 1
1 1664 . 8 2 2 B 52 52 TYR CB C 833 38.702 39.060 -0.358 1
1 1667 . 8 2 2 B 52 52 TYR N N 833 122.854 123.828 -0.974 1
1 1668 . 8 2 2 B 53 53 VAL H H 834 7.868 7.524 0.344 1
1 1669 . 8 2 2 B 53 53 VAL HA H 834 4.114 4.309 -0.195 1
1 1677 . 8 2 2 B 53 53 VAL CA C 834 61.508 61.255 0.253 1
1 1678 . 8 2 2 B 53 53 VAL CB C 834 33.010 31.338 1.672 1
1 1681 . 8 2 2 B 53 53 VAL N N 834 121.721 115.517 6.204 1
1 1682 . 8 2 2 B 54 54 SER H H 835 8.237 8.163 0.074 1
1 1683 . 8 2 2 B 54 54 SER HA H 835 4.422 4.312 0.110 1
1 1686 . 8 2 2 B 54 54 SER CA C 835 57.823 61.527 -3.704 1
1 1687 . 8 2 2 B 54 54 SER CB C 835 63.437 62.884 0.553 1
1 1688 . 8 2 2 B 54 54 SER N N 835 119.077 117.679 1.398 1
1 1689 . 8 2 2 B 55 55 ARG H H 836 8.284 8.245 0.039 1
1 1690 . 8 2 2 B 55 55 ARG HA H 836 4.701 4.702 -0.001 1
1 1697 . 8 2 2 B 55 55 ARG CA C 836 53.601 52.486 1.115 1
1 1698 . 8 2 2 B 55 55 ARG CB C 836 30.394 32.121 -1.727 1
1 1701 . 8 2 2 B 55 55 ARG N N 836 123.798 119.582 4.216 1
1 1702 . 8 2 2 B 56 56 PRO HA H 837 4.485 4.438 0.047 1
1 1709 . 8 2 2 B 56 56 PRO CA C 837 63.351 64.089 -0.738 1
1 1710 . 8 2 2 B 56 56 PRO CB C 837 31.795 32.066 -0.271 1
1 7 . 9 1 1 A 2 2 THR HA H 341 4.462 4.280 0.182 1
1 12 . 9 1 1 A 2 2 THR CA C 341 61.936 63.659 -1.723 1
1 13 . 9 1 1 A 2 2 THR CB C 341 69.770 69.264 0.506 1
1 15 . 9 1 1 A 3 3 GLY HA2 H 342 4.141 4.057 0.084 1
1 16 . 9 1 1 A 3 3 GLY HA3 H 342 4.238 4.057 0.181 1
1 17 . 9 1 1 A 3 3 GLY CA C 342 44.424 45.048 -0.624 1
1 18 . 9 1 1 A 4 4 PRO HA H 343 4.567 4.318 0.249 1
1 25 . 9 1 1 A 4 4 PRO CA C 343 63.088 64.892 -1.804 1
1 26 . 9 1 1 A 4 4 PRO CB C 343 32.443 31.817 0.626 1
1 29 . 9 1 1 A 5 5 THR H H 344 8.284 8.010 0.274 1
1 30 . 9 1 1 A 5 5 THR HA H 344 4.342 4.227 0.115 1
1 35 . 9 1 1 A 5 5 THR CA C 344 61.936 63.411 -1.475 1
1 36 . 9 1 1 A 5 5 THR CB C 344 69.539 68.867 0.672 1
1 38 . 9 1 1 A 5 5 THR N N 344 113.968 109.285 4.683 1
1 39 . 9 1 1 A 6 6 ALA H H 345 8.269 7.983 0.286 1
1 40 . 9 1 1 A 6 6 ALA HA H 345 4.434 4.526 -0.092 1
1 44 . 9 1 1 A 6 6 ALA CA C 345 52.028 51.467 0.561 1
1 45 . 9 1 1 A 6 6 ALA CB C 345 19.771 20.273 -0.502 1
1 46 . 9 1 1 A 6 6 ALA N N 345 126.619 123.379 3.240 1
1 47 . 9 1 1 A 7 7 ASP H H 346 8.454 7.167 1.287 1
1 48 . 9 1 1 A 7 7 ASP HA H 346 4.917 4.626 0.291 1
1 51 . 9 1 1 A 7 7 ASP CA C 346 52.719 52.120 0.599 1
1 52 . 9 1 1 A 7 7 ASP CB C 346 41.659 41.962 -0.303 1
1 53 . 9 1 1 A 7 7 ASP N N 346 120.766 121.229 -0.463 1
1 54 . 9 1 1 A 8 8 PRO HA H 347 4.398 4.314 0.084 1
1 61 . 9 1 1 A 8 8 PRO CA C 347 64.931 65.482 -0.551 1
1 62 . 9 1 1 A 8 8 PRO CB C 347 32.388 31.826 0.562 1
1 65 . 9 1 1 A 9 9 GLU H H 348 8.113 8.044 0.069 1
1 66 . 9 1 1 A 9 9 GLU HA H 348 4.154 4.097 0.057 1
1 71 . 9 1 1 A 9 9 GLU CB C 348 30.138 29.284 0.854 1
1 73 . 9 1 1 A 9 9 GLU N N 348 116.423 118.101 -1.678 1
1 74 . 9 1 1 A 10 10 LYS H H 349 7.699 8.242 -0.543 1
1 75 . 9 1 1 A 10 10 LYS HA H 349 3.982 3.994 -0.012 1
1 84 . 9 1 1 A 10 10 LYS CA C 349 60.092 59.549 0.543 1
1 85 . 9 1 1 A 10 10 LYS CB C 349 32.558 32.584 -0.026 1
1 89 . 9 1 1 A 10 10 LYS N N 349 119.255 119.772 -0.517 1
1 90 . 9 1 1 A 11 11 ARG H H 350 7.845 8.050 -0.205 1
1 91 . 9 1 1 A 11 11 ARG HA H 350 3.656 3.935 -0.279 1
1 98 . 9 1 1 A 11 11 ARG CA C 350 60.092 59.191 0.901 1
1 99 . 9 1 1 A 11 11 ARG CB C 350 28.295 29.932 -1.637 1
1 102 . 9 1 1 A 11 11 ARG N N 350 117.178 119.185 -2.007 1
1 103 . 9 1 1 A 12 12 LYS H H 351 7.888 7.705 0.183 1
1 104 . 9 1 1 A 12 12 LYS HA H 351 4.198 4.079 0.119 1
1 109 . 9 1 1 A 12 12 LYS CA C 351 59.631 59.252 0.379 1
1 110 . 9 1 1 A 12 12 LYS CB C 351 32.673 32.177 0.496 1
1 112 . 9 1 1 A 12 12 LYS N N 351 117.745 119.430 -1.685 1
1 113 . 9 1 1 A 13 13 LEU H H 352 7.696 7.798 -0.102 1
1 114 . 9 1 1 A 13 13 LEU HA H 352 4.259 4.047 0.212 1
1 124 . 9 1 1 A 13 13 LEU CA C 352 58.019 57.978 0.041 1
1 125 . 9 1 1 A 13 13 LEU CB C 352 42.120 41.755 0.365 1
1 129 . 9 1 1 A 13 13 LEU N N 352 119.444 118.989 0.455 1
1 130 . 9 1 1 A 14 14 ILE H H 353 7.831 7.573 0.258 1
1 131 . 9 1 1 A 14 14 ILE HA H 353 3.648 3.784 -0.136 1
1 141 . 9 1 1 A 14 14 ILE CA C 353 65.392 64.296 1.096 1
1 142 . 9 1 1 A 14 14 ILE CB C 353 38.203 37.666 0.537 1
1 146 . 9 1 1 A 14 14 ILE N N 353 118.311 115.283 3.028 1
1 147 . 9 1 1 A 15 15 GLN H H 354 8.178 7.885 0.293 1
1 148 . 9 1 1 A 15 15 GLN HA H 354 3.791 3.902 -0.111 1
1 155 . 9 1 1 A 15 15 GLN CA C 354 59.631 59.023 0.608 1
1 156 . 9 1 1 A 15 15 GLN CB C 354 30.369 28.245 2.124 1
1 158 . 9 1 1 A 15 15 GLN N N 354 116.423 121.073 -4.650 1
1 160 . 9 1 1 A 16 16 GLN H H 355 8.192 7.938 0.254 1
1 161 . 9 1 1 A 16 16 GLN HA H 355 3.799 4.069 -0.270 1
1 168 . 9 1 1 A 16 16 GLN CA C 355 59.171 59.047 0.124 1
1 169 . 9 1 1 A 16 16 GLN CB C 355 28.986 28.484 0.502 1
1 171 . 9 1 1 A 16 16 GLN N N 355 117.178 118.955 -1.777 1
1 173 . 9 1 1 A 17 17 GLN H H 356 7.970 7.851 0.119 1
1 174 . 9 1 1 A 17 17 GLN HA H 356 3.136 4.049 -0.913 1
1 181 . 9 1 1 A 17 17 GLN CA C 356 60.323 58.618 1.705 1
1 182 . 9 1 1 A 17 17 GLN CB C 356 27.143 28.166 -1.023 1
1 184 . 9 1 1 A 17 17 GLN N N 356 118.311 119.704 -1.393 1
1 186 . 9 1 1 A 18 18 LEU H H 357 8.408 8.059 0.349 1
1 187 . 9 1 1 A 18 18 LEU HA H 357 3.863 4.023 -0.160 1
1 197 . 9 1 1 A 18 18 LEU CA C 357 58.710 58.421 0.289 1
1 198 . 9 1 1 A 18 18 LEU CB C 357 40.968 41.891 -0.923 1
1 202 . 9 1 1 A 18 18 LEU N N 357 117.934 121.395 -3.461 1
1 203 . 9 1 1 A 19 19 VAL H H 358 8.544 8.141 0.403 1
1 204 . 9 1 1 A 19 19 VAL HA H 358 3.479 3.450 0.029 1
1 212 . 9 1 1 A 19 19 VAL CA C 358 66.544 66.951 -0.407 1
1 213 . 9 1 1 A 19 19 VAL CB C 358 31.060 31.189 -0.129 1
1 216 . 9 1 1 A 19 19 VAL N N 358 116.423 119.194 -2.771 1
1 217 . 9 1 1 A 20 20 LEU H H 359 7.820 8.048 -0.228 1
1 218 . 9 1 1 A 20 20 LEU HA H 359 3.952 3.944 0.008 1
1 228 . 9 1 1 A 20 20 LEU CA C 359 58.019 58.008 0.011 1
1 229 . 9 1 1 A 20 20 LEU CB C 359 42.696 41.330 1.366 1
1 233 . 9 1 1 A 20 20 LEU N N 359 120.955 119.995 0.960 1
1 234 . 9 1 1 A 21 21 LEU H H 360 8.278 7.930 0.348 1
1 235 . 9 1 1 A 21 21 LEU HA H 360 3.868 4.094 -0.226 1
1 245 . 9 1 1 A 21 21 LEU CA C 360 58.710 58.008 0.702 1
1 246 . 9 1 1 A 21 21 LEU CB C 360 42.811 41.563 1.248 1
1 250 . 9 1 1 A 21 21 LEU N N 360 121.144 119.566 1.578 1
1 251 . 9 1 1 A 22 22 LEU H H 361 8.331 8.244 0.087 1
1 252 . 9 1 1 A 22 22 LEU HA H 361 3.919 3.974 -0.055 1
1 262 . 9 1 1 A 22 22 LEU CA C 361 57.788 57.976 -0.188 1
1 263 . 9 1 1 A 22 22 LEU CB C 361 41.083 41.682 -0.599 1
1 267 . 9 1 1 A 22 22 LEU N N 361 118.500 117.965 0.535 1
1 268 . 9 1 1 A 23 23 HIS H H 362 8.620 8.331 0.289 1
1 269 . 9 1 1 A 23 23 HIS HA H 362 4.114 4.254 -0.140 1
1 274 . 9 1 1 A 23 23 HIS CA C 362 60.323 59.574 0.749 1
1 275 . 9 1 1 A 23 23 HIS CB C 362 27.834 29.955 -2.121 1
1 278 . 9 1 1 A 23 23 HIS N N 362 117.934 117.910 0.024 1
1 279 . 9 1 1 A 24 24 ALA H H 363 9.049 8.445 0.604 1
1 280 . 9 1 1 A 24 24 ALA HA H 363 3.954 3.998 -0.044 1
1 284 . 9 1 1 A 24 24 ALA CA C 363 55.253 55.105 0.148 1
1 285 . 9 1 1 A 24 24 ALA CB C 363 19.079 17.931 1.148 1
1 286 . 9 1 1 A 24 24 ALA N N 363 121.710 120.622 1.088 1
1 287 . 9 1 1 A 25 25 HIS H H 364 7.955 7.983 -0.028 1
1 288 . 9 1 1 A 25 25 HIS HA H 364 4.130 4.191 -0.061 1
1 293 . 9 1 1 A 25 25 HIS CA C 364 60.092 59.712 0.380 1
1 294 . 9 1 1 A 25 25 HIS CB C 364 31.060 30.190 0.870 1
1 297 . 9 1 1 A 25 25 HIS N N 364 115.856 118.105 -2.249 1
1 298 . 9 1 1 A 26 26 LYS H H 365 7.053 7.689 -0.636 1
1 299 . 9 1 1 A 26 26 LYS HA H 365 4.014 3.644 0.370 1
1 302 . 9 1 1 A 26 26 LYS CA C 365 57.788 58.724 -0.936 1
1 303 . 9 1 1 A 26 26 LYS CB C 365 32.903 31.780 1.123 1
1 304 . 9 1 1 A 26 26 LYS N N 365 117.178 118.428 -1.250 1
1 305 . 9 1 1 A 27 27 CYS H H 366 8.592 8.022 0.570 1
1 306 . 9 1 1 A 27 27 CYS HA H 366 3.741 3.982 -0.241 1
1 309 . 9 1 1 A 27 27 CYS CA C 366 62.396 62.375 0.021 1
1 310 . 9 1 1 A 27 27 CYS CB C 366 29.678 26.895 2.783 1
1 311 . 9 1 1 A 27 27 CYS N N 366 123.976 119.286 4.690 1
1 312 . 9 1 1 A 28 28 GLN H H 367 8.349 8.478 -0.129 1
1 313 . 9 1 1 A 28 28 GLN HA H 367 4.283 4.095 0.188 1
1 320 . 9 1 1 A 28 28 GLN CA C 367 57.327 58.446 -1.119 1
1 321 . 9 1 1 A 28 28 GLN CB C 367 29.217 28.529 0.688 1
1 323 . 9 1 1 A 28 28 GLN N N 367 119.444 120.168 -0.724 1
1 325 . 9 1 1 A 29 29 ARG H H 368 7.635 7.687 -0.052 1
1 326 . 9 1 1 A 29 29 ARG HA H 368 4.169 4.179 -0.010 1
1 333 . 9 1 1 A 29 29 ARG CA C 368 57.558 58.086 -0.528 1
1 334 . 9 1 1 A 29 29 ARG CB C 368 29.908 30.719 -0.811 1
1 337 . 9 1 1 A 29 29 ARG N N 368 119.444 119.176 0.268 1
1 338 . 9 1 1 A 30 30 ARG H H 369 8.018 8.047 -0.029 1
1 339 . 9 1 1 A 30 30 ARG HA H 369 4.260 3.903 0.357 1
1 346 . 9 1 1 A 30 30 ARG CA C 369 57.558 59.483 -1.925 1
1 347 . 9 1 1 A 30 30 ARG CB C 369 30.599 29.972 0.627 1
1 350 . 9 1 1 A 30 30 ARG N N 369 120.388 119.776 0.612 1
1 351 . 9 1 1 A 31 31 GLU H H 370 8.208 8.326 -0.118 1
1 352 . 9 1 1 A 31 31 GLU HA H 370 4.236 4.084 0.152 1
1 357 . 9 1 1 A 31 31 GLU CA C 370 57.788 59.121 -1.333 1
1 358 . 9 1 1 A 31 31 GLU CB C 370 30.369 29.229 1.140 1
1 360 . 9 1 1 A 31 31 GLU N N 370 120.388 117.644 2.744 1
1 361 . 9 1 1 A 32 32 GLN H H 371 8.165 8.016 0.149 1
1 362 . 9 1 1 A 32 32 GLN HA H 371 4.313 4.112 0.201 1
1 367 . 9 1 1 A 32 32 GLN CA C 371 56.636 58.709 -2.073 1
1 368 . 9 1 1 A 32 32 GLN CB C 371 29.217 28.686 0.531 1
1 370 . 9 1 1 A 32 32 GLN N N 371 118.878 119.845 -0.967 1
1 371 . 9 1 1 A 33 33 ALA H H 372 8.095 8.311 -0.216 1
1 372 . 9 1 1 A 33 33 ALA HA H 372 4.327 4.087 0.240 1
1 376 . 9 1 1 A 33 33 ALA CA C 372 53.180 55.151 -1.971 1
1 377 . 9 1 1 A 33 33 ALA CB C 372 19.079 18.081 0.998 1
1 378 . 9 1 1 A 33 33 ALA N N 372 123.032 121.695 1.337 1
1 379 . 9 1 1 A 34 34 ASN H H 373 8.186 7.909 0.277 1
1 380 . 9 1 1 A 34 34 ASN HA H 373 4.735 4.716 0.019 1
1 383 . 9 1 1 A 34 34 ASN CA C 373 53.410 53.456 -0.046 1
1 384 . 9 1 1 A 34 34 ASN CB C 373 38.894 39.168 -0.274 1
1 385 . 9 1 1 A 34 34 ASN N N 373 115.479 115.696 -0.217 1
1 386 . 9 1 1 A 35 35 GLY H H 374 8.266 8.644 -0.378 1
1 387 . 9 1 1 A 35 35 GLY HA2 H 374 3.943 3.876 0.067 1
1 388 . 9 1 1 A 35 35 GLY HA3 H 374 4.044 3.877 0.167 1
1 389 . 9 1 1 A 35 35 GLY CA C 374 45.576 45.765 -0.189 1
1 390 . 9 1 1 A 35 35 GLY N N 374 108.492 108.074 0.418 1
1 391 . 9 1 1 A 36 36 GLU H H 375 8.132 7.744 0.388 1
1 392 . 9 1 1 A 36 36 GLU HA H 375 4.368 4.825 -0.457 1
1 397 . 9 1 1 A 36 36 GLU CA C 375 55.945 55.706 0.239 1
1 398 . 9 1 1 A 36 36 GLU CB C 375 30.369 33.370 -3.001 1
1 400 . 9 1 1 A 36 36 GLU N N 375 119.822 119.206 0.616 1
1 401 . 9 1 1 A 37 37 VAL H H 376 8.132 8.650 -0.518 1
1 402 . 9 1 1 A 37 37 VAL HA H 376 4.139 4.802 -0.663 1
1 410 . 9 1 1 A 37 37 VAL CA C 376 62.166 60.548 1.618 1
1 411 . 9 1 1 A 37 37 VAL CB C 376 32.673 35.575 -2.902 1
1 414 . 9 1 1 A 37 37 VAL N N 376 121.144 125.317 -4.173 1
1 415 . 9 1 1 A 38 38 ARG H H 377 8.455 9.052 -0.597 1
1 416 . 9 1 1 A 38 38 ARG HA H 377 4.392 4.712 -0.320 1
1 423 . 9 1 1 A 38 38 ARG CA C 377 55.253 56.526 -1.273 1
1 424 . 9 1 1 A 38 38 ARG CB C 377 31.060 33.250 -2.190 1
1 427 . 9 1 1 A 38 38 ARG N N 377 125.109 125.080 0.029 1
1 428 . 9 1 1 A 39 39 ALA H H 378 8.384 7.550 0.834 1
1 429 . 9 1 1 A 39 39 ALA HA H 378 4.287 4.570 -0.283 1
1 433 . 9 1 1 A 39 39 ALA CA C 378 52.028 51.610 0.418 1
1 434 . 9 1 1 A 39 39 ALA CB C 378 19.540 22.049 -2.509 1
1 435 . 9 1 1 A 39 39 ALA N N 378 126.053 117.434 8.619 1
1 436 . 9 1 1 A 40 40 CYS H H 379 8.480 8.868 -0.388 1
1 437 . 9 1 1 A 40 40 CYS HA H 379 4.344 4.849 -0.505 1
1 440 . 9 1 1 A 40 40 CYS CA C 379 60.092 57.720 2.372 1
1 441 . 9 1 1 A 40 40 CYS CB C 379 30.138 30.803 -0.665 1
1 442 . 9 1 1 A 40 40 CYS N N 379 123.787 117.283 6.504 1
1 443 . 9 1 1 A 41 41 SER HA H 380 4.588 4.712 -0.124 1
1 446 . 9 1 1 A 41 41 SER CA C 380 57.788 57.385 0.403 1
1 447 . 9 1 1 A 41 41 SER CB C 380 63.779 64.767 -0.988 1
1 448 . 9 1 1 A 42 42 LEU H H 381 8.642 7.454 1.188 1
1 449 . 9 1 1 A 42 42 LEU HA H 381 4.488 4.393 0.095 1
1 459 . 9 1 1 A 42 42 LEU CA C 381 53.871 51.215 2.656 1
1 460 . 9 1 1 A 42 42 LEU CB C 381 41.659 42.678 -1.019 1
1 464 . 9 1 1 A 42 42 LEU N N 381 129.074 125.129 3.945 1
1 465 . 9 1 1 A 43 43 PRO HA H 382 4.095 4.127 -0.032 1
1 472 . 9 1 1 A 43 43 PRO CA C 382 64.470 64.630 -0.160 1
1 473 . 9 1 1 A 43 43 PRO CB C 382 31.751 31.476 0.275 1
1 476 . 9 1 1 A 44 44 HIS H H 383 8.014 8.012 0.002 1
1 477 . 9 1 1 A 44 44 HIS HA H 383 4.527 4.948 -0.421 1
1 482 . 9 1 1 A 44 44 HIS CA C 383 58.249 55.096 3.153 1
1 483 . 9 1 1 A 44 44 HIS CB C 383 30.369 30.125 0.244 1
1 486 . 9 1 1 A 44 44 HIS N N 383 110.569 113.465 -2.896 1
1 487 . 9 1 1 A 45 45 CYS H H 384 7.729 7.717 0.012 1
1 488 . 9 1 1 A 45 45 CYS HA H 384 4.023 3.918 0.105 1
1 491 . 9 1 1 A 45 45 CYS CA C 384 64.470 62.670 1.800 1
1 492 . 9 1 1 A 45 45 CYS CB C 384 28.756 26.485 2.271 1
1 493 . 9 1 1 A 45 45 CYS N N 384 124.165 120.650 3.515 1
1 494 . 9 1 1 A 46 46 ARG H H 385 8.239 8.098 0.141 1
1 495 . 9 1 1 A 46 46 ARG HA H 385 3.978 4.123 -0.145 1
1 502 . 9 1 1 A 46 46 ARG CA C 385 59.401 58.731 0.670 1
1 503 . 9 1 1 A 46 46 ARG CB C 385 28.986 29.996 -1.010 1
1 506 . 9 1 1 A 46 46 ARG N N 385 116.612 119.221 -2.609 1
1 507 . 9 1 1 A 47 47 THR H H 386 7.496 8.195 -0.699 1
1 508 . 9 1 1 A 47 47 THR HA H 386 4.008 3.913 0.095 1
1 513 . 9 1 1 A 47 47 THR CA C 386 65.853 67.085 -1.232 1
1 514 . 9 1 1 A 47 47 THR CB C 386 68.387 68.493 -0.106 1
1 516 . 9 1 1 A 47 47 THR N N 386 114.346 116.466 -2.120 1
1 517 . 9 1 1 A 48 48 MET H H 387 8.216 8.078 0.138 1
1 518 . 9 1 1 A 48 48 MET HA H 387 4.622 4.036 0.586 1
1 526 . 9 1 1 A 48 48 MET CA C 387 56.636 59.264 -2.628 1
1 527 . 9 1 1 A 48 48 MET CB C 387 31.291 32.855 -1.564 1
1 530 . 9 1 1 A 48 48 MET N N 387 119.444 118.361 1.083 1
1 531 . 9 1 1 A 49 49 LYS H H 388 9.306 8.266 1.040 1
1 532 . 9 1 1 A 49 49 LYS HA H 388 3.923 3.906 0.017 1
1 541 . 9 1 1 A 49 49 LYS CA C 388 61.244 60.291 0.953 1
1 542 . 9 1 1 A 49 49 LYS CB C 388 32.903 32.390 0.513 1
1 546 . 9 1 1 A 49 49 LYS N N 388 122.276 117.370 4.906 1
1 547 . 9 1 1 A 50 50 ASN H H 389 8.069 8.135 -0.066 1
1 548 . 9 1 1 A 50 50 ASN HA H 389 4.629 4.608 0.021 1
1 553 . 9 1 1 A 50 50 ASN CA C 389 56.175 56.231 -0.056 1
1 554 . 9 1 1 A 50 50 ASN CB C 389 37.512 38.430 -0.918 1
1 555 . 9 1 1 A 50 50 ASN N N 389 117.178 118.360 -1.182 1
1 557 . 9 1 1 A 51 51 VAL H H 390 8.116 7.995 0.121 1
1 558 . 9 1 1 A 51 51 VAL HA H 390 3.803 3.630 0.173 1
1 566 . 9 1 1 A 51 51 VAL CA C 390 67.235 66.731 0.504 1
1 567 . 9 1 1 A 51 51 VAL CB C 390 31.751 31.385 0.366 1
1 570 . 9 1 1 A 51 51 VAL N N 390 123.598 120.443 3.155 1
1 571 . 9 1 1 A 52 52 LEU H H 391 8.735 8.540 0.195 1
1 572 . 9 1 1 A 52 52 LEU HA H 391 4.123 3.955 0.168 1
1 582 . 9 1 1 A 52 52 LEU CA C 391 58.479 58.176 0.303 1
1 583 . 9 1 1 A 52 52 LEU CB C 391 41.659 41.406 0.253 1
1 587 . 9 1 1 A 52 52 LEU N N 391 120.955 119.400 1.555 1
1 588 . 9 1 1 A 53 53 ASN H H 392 8.231 8.457 -0.226 1
1 589 . 9 1 1 A 53 53 ASN HA H 392 4.561 4.399 0.162 1
1 594 . 9 1 1 A 53 53 ASN CA C 392 56.175 56.475 -0.300 1
1 595 . 9 1 1 A 53 53 ASN CB C 392 38.433 39.266 -0.833 1
1 596 . 9 1 1 A 53 53 ASN N N 392 116.801 117.561 -0.760 1
1 598 . 9 1 1 A 54 54 HIS H H 393 8.049 8.375 -0.326 1
1 599 . 9 1 1 A 54 54 HIS HA H 393 4.418 4.330 0.088 1
1 604 . 9 1 1 A 54 54 HIS CA C 393 59.401 60.144 -0.743 1
1 605 . 9 1 1 A 54 54 HIS CB C 393 27.604 30.254 -2.650 1
1 608 . 9 1 1 A 54 54 HIS N N 393 120.011 119.610 0.401 1
1 609 . 9 1 1 A 55 55 MET H H 394 9.118 8.589 0.529 1
1 610 . 9 1 1 A 55 55 MET HA H 394 3.704 3.948 -0.244 1
1 618 . 9 1 1 A 55 55 MET CA C 394 59.401 58.457 0.944 1
1 619 . 9 1 1 A 55 55 MET CB C 394 34.286 32.519 1.767 1
1 622 . 9 1 1 A 55 55 MET N N 394 119.066 116.762 2.304 1
1 623 . 9 1 1 A 56 56 THR H H 395 7.521 7.643 -0.122 1
1 624 . 9 1 1 A 56 56 THR HA H 395 3.915 4.040 -0.125 1
1 629 . 9 1 1 A 56 56 THR CA C 395 65.392 64.772 0.620 1
1 630 . 9 1 1 A 56 56 THR CB C 395 69.309 68.335 0.974 1
1 632 . 9 1 1 A 56 56 THR N N 395 110.758 114.865 -4.107 1
1 633 . 9 1 1 A 57 57 HIS H H 396 7.023 7.906 -0.883 1
1 634 . 9 1 1 A 57 57 HIS HA H 396 4.846 4.763 0.083 1
1 639 . 9 1 1 A 57 57 HIS CA C 396 55.023 55.977 -0.954 1
1 640 . 9 1 1 A 57 57 HIS CB C 396 30.830 31.335 -0.505 1
1 643 . 9 1 1 A 57 57 HIS N N 396 115.668 115.416 0.252 1
1 644 . 9 1 1 A 58 58 CYS H H 397 7.134 7.441 -0.307 1
1 645 . 9 1 1 A 58 58 CYS HA H 397 4.048 4.144 -0.096 1
1 648 . 9 1 1 A 58 58 CYS CA C 397 60.784 60.075 0.709 1
1 649 . 9 1 1 A 58 58 CYS CB C 397 29.678 27.657 2.021 1
1 650 . 9 1 1 A 58 58 CYS N N 397 123.598 119.073 4.525 1
1 651 . 9 1 1 A 59 59 GLN HA H 398 4.710 4.712 -0.002 1
1 656 . 9 1 1 A 59 59 GLN CA C 398 55.023 55.452 -0.429 1
1 657 . 9 1 1 A 59 59 GLN CB C 398 29.678 29.809 -0.131 1
1 659 . 9 1 1 A 60 60 ALA H H 399 8.689 7.369 1.320 1
1 660 . 9 1 1 A 60 60 ALA HA H 399 4.414 4.259 0.155 1
1 664 . 9 1 1 A 60 60 ALA CA C 399 52.949 52.029 0.920 1
1 665 . 9 1 1 A 60 60 ALA CB C 399 20.001 19.445 0.556 1
1 666 . 9 1 1 A 60 60 ALA N N 399 124.731 122.613 2.118 1
1 667 . 9 1 1 A 61 61 GLY H H 400 8.166 8.471 -0.305 1
1 668 . 9 1 1 A 61 61 GLY HA2 H 400 3.621 3.918 -0.297 1
1 669 . 9 1 1 A 61 61 GLY HA3 H 400 3.976 3.920 0.056 1
1 670 . 9 1 1 A 61 61 GLY CA C 400 46.267 46.944 -0.677 1
1 671 . 9 1 1 A 61 61 GLY N N 400 107.926 108.322 -0.396 1
1 672 . 9 1 1 A 62 62 LYS HA H 401 4.138 4.176 -0.038 1
1 673 . 9 1 1 A 62 62 LYS CA C 401 58.479 57.580 0.899 1
1 674 . 9 1 1 A 63 63 ALA H H 402 7.671 7.115 0.556 1
1 675 . 9 1 1 A 63 63 ALA HA H 402 4.448 4.433 0.015 1
1 679 . 9 1 1 A 63 63 ALA CA C 402 51.336 51.691 -0.355 1
1 680 . 9 1 1 A 63 63 ALA CB C 402 19.079 19.354 -0.275 1
1 681 . 9 1 1 A 63 63 ALA N N 402 119.444 120.549 -1.105 1
1 682 . 9 1 1 A 64 64 CYS H H 403 7.497 7.587 -0.090 1
1 683 . 9 1 1 A 64 64 CYS HA H 403 3.857 4.332 -0.475 1
1 686 . 9 1 1 A 64 64 CYS CA C 403 62.396 59.912 2.484 1
1 687 . 9 1 1 A 64 64 CYS CB C 403 29.908 28.731 1.177 1
1 688 . 9 1 1 A 64 64 CYS N N 403 121.899 118.481 3.418 1
1 689 . 9 1 1 A 65 65 GLN H H 404 9.025 8.730 0.295 1
1 690 . 9 1 1 A 65 65 GLN HA H 404 4.463 4.151 0.312 1
1 697 . 9 1 1 A 65 65 GLN CA C 404 55.673 57.306 -1.633 1
1 698 . 9 1 1 A 65 65 GLN CB C 404 29.332 28.767 0.565 1
1 700 . 9 1 1 A 65 65 GLN N N 404 128.885 125.871 3.014 1
1 702 . 9 1 1 A 66 66 VAL H H 405 9.337 7.291 2.046 1
1 703 . 9 1 1 A 66 66 VAL HA H 405 3.631 4.157 -0.526 1
1 711 . 9 1 1 A 66 66 VAL CA C 405 64.240 62.142 2.098 1
1 712 . 9 1 1 A 66 66 VAL CB C 405 30.830 30.551 0.279 1
1 715 . 9 1 1 A 66 66 VAL N N 405 127.752 119.430 8.322 1
1 716 . 9 1 1 A 67 67 ALA H H 406 8.581 8.662 -0.081 1
1 717 . 9 1 1 A 67 67 ALA HA H 406 3.761 3.889 -0.128 1
1 721 . 9 1 1 A 67 67 ALA CA C 406 54.101 55.147 -1.046 1
1 722 . 9 1 1 A 67 67 ALA CB C 406 17.467 18.243 -0.776 1
1 723 . 9 1 1 A 67 67 ALA N N 406 133.983 130.823 3.160 1
1 724 . 9 1 1 A 68 68 HIS H H 407 8.099 7.628 0.471 1
1 725 . 9 1 1 A 68 68 HIS HA H 407 4.407 4.479 -0.072 1
1 730 . 9 1 1 A 68 68 HIS CA C 407 57.327 58.561 -1.234 1
1 731 . 9 1 1 A 68 68 HIS CB C 407 29.447 29.498 -0.051 1
1 734 . 9 1 1 A 68 68 HIS N N 407 110.569 114.485 -3.916 1
1 735 . 9 1 1 A 69 69 CYS H H 408 8.086 7.829 0.257 1
1 736 . 9 1 1 A 69 69 CYS HA H 408 4.163 4.129 0.034 1
1 739 . 9 1 1 A 69 69 CYS CA C 408 64.240 62.222 2.018 1
1 740 . 9 1 1 A 69 69 CYS CB C 408 29.908 27.399 2.509 1
1 741 . 9 1 1 A 69 69 CYS N N 408 126.619 118.936 7.683 1
1 742 . 9 1 1 A 70 70 ALA H H 409 8.728 8.121 0.607 1
1 743 . 9 1 1 A 70 70 ALA HA H 409 4.333 4.061 0.272 1
1 747 . 9 1 1 A 70 70 ALA CA C 409 55.253 55.459 -0.206 1
1 748 . 9 1 1 A 70 70 ALA CB C 409 17.697 18.164 -0.467 1
1 749 . 9 1 1 A 70 70 ALA N N 409 118.689 123.099 -4.410 1
1 750 . 9 1 1 A 71 71 SER H H 410 9.179 8.263 0.916 1
1 751 . 9 1 1 A 71 71 SER HA H 410 4.138 4.210 -0.072 1
1 754 . 9 1 1 A 71 71 SER CA C 410 60.323 61.695 -1.372 1
1 755 . 9 1 1 A 71 71 SER CB C 410 61.244 62.642 -1.398 1
1 756 . 9 1 1 A 71 71 SER N N 410 114.535 113.170 1.365 1
1 757 . 9 1 1 A 72 72 SER H H 411 7.937 8.031 -0.094 1
1 758 . 9 1 1 A 72 72 SER HA H 411 4.048 4.141 -0.093 1
1 762 . 9 1 1 A 72 72 SER CA C 411 64.240 61.751 2.489 1
1 763 . 9 1 1 A 72 72 SER CB C 411 62.396 62.901 -0.505 1
1 764 . 9 1 1 A 72 72 SER N N 411 120.766 117.085 3.681 1
1 765 . 9 1 1 A 73 73 ARG H H 412 8.835 8.274 0.561 1
1 766 . 9 1 1 A 73 73 ARG HA H 412 3.855 4.110 -0.255 1
1 773 . 9 1 1 A 73 73 ARG CA C 412 60.323 59.558 0.765 1
1 774 . 9 1 1 A 73 73 ARG CB C 412 30.369 30.181 0.188 1
1 777 . 9 1 1 A 73 73 ARG N N 412 122.276 121.869 0.407 1
1 778 . 9 1 1 A 74 74 GLN H H 413 7.873 7.486 0.387 1
1 779 . 9 1 1 A 74 74 GLN HA H 413 4.182 4.181 0.001 1
1 786 . 9 1 1 A 74 74 GLN CA C 413 58.710 58.401 0.309 1
1 787 . 9 1 1 A 74 74 GLN CB C 413 29.447 28.677 0.770 1
1 789 . 9 1 1 A 74 74 GLN N N 413 118.689 118.521 0.168 1
1 791 . 9 1 1 A 75 75 ILE H H 414 8.754 8.451 0.303 1
1 792 . 9 1 1 A 75 75 ILE HA H 414 3.617 3.973 -0.356 1
1 802 . 9 1 1 A 75 75 ILE CA C 414 66.544 64.455 2.089 1
1 803 . 9 1 1 A 75 75 ILE CB C 414 38.664 37.523 1.141 1
1 807 . 9 1 1 A 75 75 ILE N N 414 121.710 119.949 1.761 1
1 808 . 9 1 1 A 76 76 ILE H H 415 8.856 8.246 0.610 1
1 809 . 9 1 1 A 76 76 ILE HA H 415 3.863 3.604 0.259 1
1 819 . 9 1 1 A 76 76 ILE CA C 415 64.701 65.324 -0.623 1
1 820 . 9 1 1 A 76 76 ILE CB C 415 37.051 37.720 -0.669 1
1 824 . 9 1 1 A 76 76 ILE N N 415 120.199 123.099 -2.900 1
1 825 . 9 1 1 A 77 77 SER H H 416 7.981 8.062 -0.081 1
1 826 . 9 1 1 A 77 77 SER HA H 416 4.153 4.241 -0.088 1
1 829 . 9 1 1 A 77 77 SER CA C 416 62.166 62.216 -0.050 1
1 830 . 9 1 1 A 77 77 SER CB C 416 62.627 62.959 -0.332 1
1 831 . 9 1 1 A 77 77 SER N N 416 114.346 116.230 -1.884 1
1 832 . 9 1 1 A 78 78 HIS H H 417 8.126 7.463 0.663 1
1 833 . 9 1 1 A 78 78 HIS HA H 417 4.154 4.419 -0.265 1
1 838 . 9 1 1 A 78 78 HIS CA C 417 60.553 59.494 1.059 1
1 839 . 9 1 1 A 78 78 HIS CB C 417 28.065 30.204 -2.139 1
1 842 . 9 1 1 A 78 78 HIS N N 417 118.878 121.509 -2.631 1
1 843 . 9 1 1 A 79 79 TRP H H 418 8.417 8.333 0.084 1
1 844 . 9 1 1 A 79 79 TRP HA H 418 4.451 4.214 0.237 1
1 853 . 9 1 1 A 79 79 TRP CA C 418 59.862 60.056 -0.194 1
1 854 . 9 1 1 A 79 79 TRP CB C 418 30.369 29.675 0.694 1
1 860 . 9 1 1 A 79 79 TRP N N 418 119.255 121.285 -2.030 1
1 862 . 9 1 1 A 80 80 LYS H H 419 8.412 7.984 0.428 1
1 863 . 9 1 1 A 80 80 LYS HA H 419 3.714 4.012 -0.298 1
1 872 . 9 1 1 A 80 80 LYS CA C 419 58.710 58.207 0.503 1
1 873 . 9 1 1 A 80 80 LYS CB C 419 32.673 32.171 0.502 1
1 877 . 9 1 1 A 80 80 LYS N N 419 115.101 118.489 -3.388 1
1 878 . 9 1 1 A 81 81 ASN H H 420 7.416 7.747 -0.331 1
1 879 . 9 1 1 A 81 81 ASN HA H 420 4.713 4.713 0.000 1
1 884 . 9 1 1 A 81 81 ASN CA C 420 53.410 53.911 -0.501 1
1 885 . 9 1 1 A 81 81 ASN CB C 420 40.737 41.325 -0.588 1
1 886 . 9 1 1 A 81 81 ASN N N 420 113.968 114.819 -0.851 1
1 888 . 9 1 1 A 82 82 CYS H H 421 7.617 7.519 0.098 1
1 889 . 9 1 1 A 82 82 CYS HA H 421 3.986 4.288 -0.302 1
1 892 . 9 1 1 A 82 82 CYS CA C 421 61.244 59.911 1.333 1
1 893 . 9 1 1 A 82 82 CYS CB C 421 28.756 28.074 0.682 1
1 894 . 9 1 1 A 82 82 CYS N N 421 124.354 118.122 6.232 1
1 895 . 9 1 1 A 83 83 THR H H 422 8.535 8.503 0.032 1
1 896 . 9 1 1 A 83 83 THR HA H 422 4.527 4.579 -0.052 1
1 901 . 9 1 1 A 83 83 THR CA C 422 60.553 61.348 -0.795 1
1 902 . 9 1 1 A 83 83 THR CB C 422 69.309 70.706 -1.397 1
1 904 . 9 1 1 A 83 83 THR N N 422 118.500 116.671 1.829 1
1 905 . 9 1 1 A 84 84 ARG HA H 423 4.448 4.066 0.382 1
1 912 . 9 1 1 A 84 84 ARG CA C 423 56.175 56.492 -0.317 1
1 913 . 9 1 1 A 84 84 ARG CB C 423 31.521 31.307 0.214 1
1 916 . 9 1 1 A 85 85 HIS HA H 424 4.391 4.425 -0.034 1
1 921 . 9 1 1 A 85 85 HIS CA C 424 58.479 58.237 0.242 1
1 922 . 9 1 1 A 85 85 HIS CB C 424 30.138 28.919 1.219 1
1 925 . 9 1 1 A 86 86 ASP H H 425 7.962 8.075 -0.113 1
1 926 . 9 1 1 A 86 86 ASP HA H 425 4.525 4.724 -0.199 1
1 929 . 9 1 1 A 86 86 ASP CA C 425 51.567 53.086 -1.519 1
1 930 . 9 1 1 A 86 86 ASP CB C 425 39.585 41.518 -1.933 1
1 931 . 9 1 1 A 86 86 ASP N N 425 116.612 116.444 0.168 1
1 932 . 9 1 1 A 87 87 CYS H H 426 6.974 6.972 0.002 1
1 933 . 9 1 1 A 87 87 CYS HA H 426 4.247 4.398 -0.151 1
1 936 . 9 1 1 A 87 87 CYS CA C 426 57.558 57.845 -0.287 1
1 937 . 9 1 1 A 87 87 CYS CB C 426 31.291 28.666 2.625 1
1 938 . 9 1 1 A 87 87 CYS N N 426 122.276 120.773 1.503 1
1 939 . 9 1 1 A 88 88 PRO HA H 427 4.445 4.329 0.116 1
1 944 . 9 1 1 A 88 88 PRO CA C 427 64.009 64.633 -0.624 1
1 945 . 9 1 1 A 88 88 PRO CB C 427 32.558 31.907 0.651 1
1 947 . 9 1 1 A 89 89 VAL H H 428 8.460 7.800 0.660 1
1 948 . 9 1 1 A 89 89 VAL HA H 428 3.719 4.268 -0.549 1
1 956 . 9 1 1 A 89 89 VAL CA C 428 65.622 64.002 1.620 1
1 957 . 9 1 1 A 89 89 VAL CB C 428 33.134 33.054 0.080 1
1 960 . 9 1 1 A 89 89 VAL N N 428 119.822 114.635 5.187 1
1 961 . 9 1 1 A 90 90 CYS H H 429 8.729 7.777 0.952 1
1 962 . 9 1 1 A 90 90 CYS HA H 429 4.225 4.355 -0.130 1
1 965 . 9 1 1 A 90 90 CYS CA C 429 63.779 62.553 1.226 1
1 966 . 9 1 1 A 90 90 CYS CB C 429 31.291 26.736 4.555 1
1 967 . 9 1 1 A 90 90 CYS N N 429 118.878 118.306 0.572 1
1 968 . 9 1 1 A 91 91 LEU H H 430 7.907 8.205 -0.298 1
1 969 . 9 1 1 A 91 91 LEU HA H 430 4.214 4.107 0.107 1
1 979 . 9 1 1 A 91 91 LEU CA C 430 60.323 60.265 0.058 1
1 980 . 9 1 1 A 91 91 LEU CB C 430 39.125 40.330 -1.205 1
1 984 . 9 1 1 A 91 91 LEU N N 430 118.878 123.281 -4.403 1
1 985 . 9 1 1 A 92 92 PRO HA H 431 4.460 4.354 0.106 1
1 992 . 9 1 1 A 92 92 PRO CA C 431 65.161 65.648 -0.487 1
1 993 . 9 1 1 A 92 92 PRO CB C 431 31.291 30.817 0.474 1
1 996 . 9 1 1 A 93 93 LEU H H 432 7.459 7.400 0.059 1
1 997 . 9 1 1 A 93 93 LEU HA H 432 4.359 3.867 0.492 1
1 1007 . 9 1 1 A 93 93 LEU CA C 432 55.945 57.474 -1.529 1
1 1008 . 9 1 1 A 93 93 LEU CB C 432 42.350 41.078 1.272 1
1 1012 . 9 1 1 A 93 93 LEU N N 432 115.290 117.022 -1.732 1
1 1013 . 9 1 1 A 94 94 LYS H H 433 7.975 8.570 -0.595 1
1 1014 . 9 1 1 A 94 94 LYS HA H 433 4.390 4.257 0.133 1
1 1022 . 9 1 1 A 94 94 LYS CA C 433 57.558 59.439 -1.881 1
1 1023 . 9 1 1 A 94 94 LYS CB C 433 33.134 32.258 0.876 1
1 1027 . 9 1 1 A 94 94 LYS N N 433 119.255 117.748 1.507 1
1 1028 . 9 1 1 A 95 95 ASN H H 434 8.368 8.101 0.267 1
1 1029 . 9 1 1 A 95 95 ASN HA H 434 4.733 4.512 0.221 1
1 1034 . 9 1 1 A 95 95 ASN CA C 434 53.410 56.095 -2.685 1
1 1035 . 9 1 1 A 95 95 ASN CB C 434 38.894 38.650 0.244 1
1 1036 . 9 1 1 A 95 95 ASN N N 434 117.934 118.146 -0.212 1
1 1038 . 9 1 1 A 96 96 ALA H H 435 8.040 8.385 -0.345 1
1 1039 . 9 1 1 A 96 96 ALA HA H 435 4.376 4.128 0.248 1
1 1043 . 9 1 1 A 96 96 ALA CA C 435 52.949 54.434 -1.485 1
1 1044 . 9 1 1 A 96 96 ALA CB C 435 19.310 18.390 0.920 1
1 1045 . 9 1 1 A 96 96 ALA N N 435 123.221 121.446 1.775 1
1 1046 . 9 1 1 A 97 97 SER H H 436 8.138 7.699 0.439 1
1 1047 . 9 1 1 A 97 97 SER HA H 436 4.450 4.549 -0.099 1
1 1050 . 9 1 1 A 97 97 SER CA C 436 58.710 57.483 1.227 1
1 1051 . 9 1 1 A 97 97 SER CB C 436 63.779 64.213 -0.434 1
1 1052 . 9 1 1 A 97 97 SER N N 436 113.591 107.653 5.938 1
1 1053 . 9 1 1 A 98 98 ASP H H 437 8.214 7.658 0.556 1
1 1054 . 9 1 1 A 98 98 ASP HA H 437 4.662 4.586 0.076 1
1 1057 . 9 1 1 A 98 98 ASP CA C 437 54.332 54.088 0.244 1
1 1058 . 9 1 1 A 98 98 ASP CB C 437 41.198 41.986 -0.788 1
1 1059 . 9 1 1 A 98 98 ASP N N 437 121.521 123.126 -1.605 1
1 1060 . 9 1 1 A 99 99 LYS H H 438 8.062 8.861 -0.799 1
1 1061 . 9 1 1 A 99 99 LYS HA H 438 4.363 4.471 -0.108 1
1 1070 . 9 1 1 A 99 99 LYS CA C 438 55.945 56.344 -0.399 1
1 1071 . 9 1 1 A 99 99 LYS CB C 438 32.720 31.388 1.332 1
1 1075 . 9 1 1 A 99 99 LYS N N 438 121.144 123.226 -2.082 1
1 1092 . 9 2 2 B 2 2 SER HA H 783 4.524 4.707 -0.183 1
1 1095 . 9 2 2 B 2 2 SER CA C 783 58.053 57.243 0.810 1
1 1096 . 9 2 2 B 2 2 SER CB C 783 64.502 65.460 -0.958 1
1 1097 . 9 2 2 B 3 3 HIS HA H 784 4.721 5.102 -0.381 1
1 1102 . 9 2 2 B 3 3 HIS CA C 784 55.750 54.227 1.523 1
1 1103 . 9 2 2 B 3 3 HIS CB C 784 30.167 31.876 -1.709 1
1 1106 . 9 2 2 B 4 4 MET HA H 785 4.495 4.746 -0.251 1
1 1114 . 9 2 2 B 4 4 MET CA C 785 55.058 54.355 0.703 1
1 1115 . 9 2 2 B 4 4 MET CB C 785 32.727 35.978 -3.251 1
1 1118 . 9 2 2 B 5 5 VAL H H 786 8.163 8.432 -0.269 1
1 1119 . 9 2 2 B 5 5 VAL HA H 786 4.464 4.342 0.122 1
1 1127 . 9 2 2 B 5 5 VAL CA C 786 59.478 60.978 -1.500 1
1 1128 . 9 2 2 B 5 5 VAL CB C 786 32.606 31.647 0.959 1
1 1131 . 9 2 2 B 5 5 VAL N N 786 122.854 122.839 0.015 1
1 1132 . 9 2 2 B 6 6 PRO HA H 787 4.437 4.549 -0.112 1
1 1137 . 9 2 2 B 6 6 PRO CA C 787 62.667 62.272 0.395 1
1 1138 . 9 2 2 B 6 6 PRO CB C 787 32.010 32.461 -0.451 1
1 1140 . 9 2 2 B 7 7 GLU H H 788 8.306 8.640 -0.334 1
1 1141 . 9 2 2 B 7 7 GLU HA H 788 4.654 4.395 0.259 1
1 1146 . 9 2 2 B 7 7 GLU CA C 788 53.568 54.616 -1.048 1
1 1147 . 9 2 2 B 7 7 GLU CB C 788 30.011 30.362 -0.351 1
1 1149 . 9 2 2 B 7 7 GLU N N 788 123.231 121.332 1.899 1
1 1150 . 9 2 2 B 8 8 PRO HA H 789 4.490 4.515 -0.025 1
1 1157 . 9 2 2 B 8 8 PRO CA C 789 62.253 62.776 -0.523 1
1 1158 . 9 2 2 B 8 8 PRO CB C 789 32.483 32.098 0.385 1
1 1161 . 9 2 2 B 9 9 ASP H H 790 8.272 8.440 -0.168 1
1 1162 . 9 2 2 B 9 9 ASP HA H 790 4.456 4.709 -0.253 1
1 1165 . 9 2 2 B 9 9 ASP CA C 790 54.137 53.792 0.345 1
1 1166 . 9 2 2 B 9 9 ASP CB C 790 41.016 40.286 0.730 1
1 1167 . 9 2 2 B 9 9 ASP N N 790 118.511 120.306 -1.795 1
1 1168 . 9 2 2 B 10 10 LEU H H 791 8.463 8.328 0.135 1
1 1169 . 9 2 2 B 10 10 LEU HA H 791 4.356 4.240 0.116 1
1 1179 . 9 2 2 B 10 10 LEU CA C 791 52.531 53.465 -0.934 1
1 1180 . 9 2 2 B 10 10 LEU CB C 791 42.609 43.044 -0.435 1
1 1184 . 9 2 2 B 10 10 LEU N N 791 121.343 126.750 -5.407 1
1 1185 . 9 2 2 B 11 11 PRO HA H 792 4.553 4.549 0.004 1
1 1192 . 9 2 2 B 11 11 PRO CA C 792 62.788 63.221 -0.433 1
1 1193 . 9 2 2 B 11 11 PRO CB C 792 32.716 32.254 0.462 1
1 1196 . 9 2 2 B 12 12 HIS HA H 793 3.989 4.161 -0.172 1
1 1201 . 9 2 2 B 12 12 HIS CA C 793 60.326 60.239 0.087 1
1 1202 . 9 2 2 B 12 12 HIS CB C 793 30.803 30.615 0.188 1
1 1205 . 9 2 2 B 13 13 ASP H H 794 8.938 8.934 0.004 1
1 1206 . 9 2 2 B 13 13 ASP HA H 794 4.460 4.278 0.182 1
1 1209 . 9 2 2 B 13 13 ASP CA C 794 54.581 56.783 -2.202 1
1 1210 . 9 2 2 B 13 13 ASP CB C 794 38.061 39.583 -1.522 1
1 1211 . 9 2 2 B 13 13 ASP N N 794 114.734 118.537 -3.803 1
1 1212 . 9 2 2 B 14 14 LEU H H 795 7.674 7.734 -0.060 1
1 1213 . 9 2 2 B 14 14 LEU HA H 795 4.546 4.269 0.277 1
1 1223 . 9 2 2 B 14 14 LEU CA C 795 53.478 55.755 -2.277 1
1 1224 . 9 2 2 B 14 14 LEU CB C 795 43.597 42.332 1.265 1
1 1228 . 9 2 2 B 14 14 LEU N N 795 116.056 119.684 -3.628 1
1 1229 . 9 2 2 B 15 15 ARG H H 796 7.225 8.035 -0.810 1
1 1230 . 9 2 2 B 15 15 ARG HA H 796 3.809 3.833 -0.024 1
1 1237 . 9 2 2 B 15 15 ARG CA C 796 58.744 59.685 -0.941 1
1 1238 . 9 2 2 B 15 15 ARG CB C 796 30.413 29.793 0.620 1
1 1241 . 9 2 2 B 15 15 ARG N N 796 116.434 119.503 -3.069 1
1 1242 . 9 2 2 B 16 16 HIS HA H 797 4.703 4.453 0.250 1
1 1247 . 9 2 2 B 16 16 HIS CA C 797 55.289 58.564 -3.275 1
1 1248 . 9 2 2 B 16 16 HIS CB C 797 29.538 29.953 -0.415 1
1 1251 . 9 2 2 B 17 17 LEU H H 798 6.982 7.224 -0.242 1
1 1252 . 9 2 2 B 17 17 LEU HA H 798 4.071 4.094 -0.023 1
1 1262 . 9 2 2 B 17 17 LEU CA C 798 54.807 55.288 -0.481 1
1 1263 . 9 2 2 B 17 17 LEU CB C 798 42.206 42.251 -0.045 1
1 1267 . 9 2 2 B 17 17 LEU N N 798 120.399 120.255 0.144 1
1 1268 . 9 2 2 B 18 18 ASN H H 799 8.789 8.628 0.161 1
1 1269 . 9 2 2 B 18 18 ASN HA H 799 4.857 4.891 -0.034 1
1 1274 . 9 2 2 B 18 18 ASN CA C 799 52.166 52.777 -0.611 1
1 1275 . 9 2 2 B 18 18 ASN CB C 799 37.842 38.465 -0.623 1
1 1276 . 9 2 2 B 18 18 ASN N N 799 121.343 122.985 -1.642 1
1 1278 . 9 2 2 B 19 19 THR H H 800 8.585 8.581 0.004 1
1 1279 . 9 2 2 B 19 19 THR HA H 800 4.522 4.374 0.148 1
1 1284 . 9 2 2 B 19 19 THR CA C 800 62.143 63.471 -1.328 1
1 1285 . 9 2 2 B 19 19 THR CB C 800 68.865 69.207 -0.342 1
1 1287 . 9 2 2 B 19 19 THR N N 800 115.301 118.073 -2.772 1
1 1288 . 9 2 2 B 20 20 GLU H H 801 8.415 8.813 -0.398 1
1 1289 . 9 2 2 B 20 20 GLU HA H 801 4.337 4.160 0.177 1
1 1294 . 9 2 2 B 20 20 GLU CA C 801 61.496 62.924 -1.428 1
1 1295 . 9 2 2 B 20 20 GLU CB C 801 26.493 27.626 -1.133 1
1 1297 . 9 2 2 B 20 20 GLU N N 801 125.119 123.181 1.938 1
1 1298 . 9 2 2 B 21 21 PRO HA H 802 4.422 4.259 0.163 1
1 1305 . 9 2 2 B 21 21 PRO CA C 802 64.520 65.572 -1.052 1
1 1306 . 9 2 2 B 21 21 PRO CB C 802 31.355 30.394 0.961 1
1 1309 . 9 2 2 B 22 22 MET H H 803 7.303 7.620 -0.317 1
1 1310 . 9 2 2 B 22 22 MET HA H 803 4.062 4.039 0.023 1
1 1318 . 9 2 2 B 22 22 MET CA C 803 55.686 57.760 -2.074 1
1 1319 . 9 2 2 B 22 22 MET CB C 803 33.481 31.830 1.651 1
1 1322 . 9 2 2 B 22 22 MET N N 803 110.769 115.171 -4.402 1
1 1323 . 9 2 2 B 23 23 GLU H H 804 7.624 7.766 -0.142 1
1 1324 . 9 2 2 B 23 23 GLU HA H 804 3.918 3.990 -0.072 1
1 1329 . 9 2 2 B 23 23 GLU CA C 804 59.221 59.123 0.098 1
1 1330 . 9 2 2 B 23 23 GLU CB C 804 28.993 29.332 -0.339 1
1 1332 . 9 2 2 B 23 23 GLU N N 804 118.699 118.309 0.390 1
1 1333 . 9 2 2 B 24 24 ILE H H 805 6.626 6.717 -0.091 1
1 1334 . 9 2 2 B 24 24 ILE HA H 805 3.999 3.711 0.288 1
1 1344 . 9 2 2 B 24 24 ILE CA C 805 62.734 63.985 -1.251 1
1 1345 . 9 2 2 B 24 24 ILE CB C 805 37.574 36.970 0.604 1
1 1349 . 9 2 2 B 24 24 ILE N N 805 111.524 116.292 -4.768 1
1 1350 . 9 2 2 B 25 25 PHE H H 806 7.515 7.338 0.177 1
1 1351 . 9 2 2 B 25 25 PHE HA H 806 4.524 4.389 0.135 1
1 1358 . 9 2 2 B 25 25 PHE CA C 806 55.760 61.505 -5.745 1
1 1359 . 9 2 2 B 25 25 PHE CB C 806 38.464 38.690 -0.226 1
1 1362 . 9 2 2 B 25 25 PHE N N 806 118.322 121.023 -2.701 1
1 1363 . 9 2 2 B 26 26 ARG H H 807 7.368 7.692 -0.324 1
1 1364 . 9 2 2 B 26 26 ARG HA H 807 4.024 4.108 -0.084 1
1 1371 . 9 2 2 B 26 26 ARG CA C 807 58.864 59.072 -0.208 1
1 1372 . 9 2 2 B 26 26 ARG CB C 807 30.872 29.882 0.990 1
1 1375 . 9 2 2 B 26 26 ARG N N 807 118.888 121.450 -2.562 1
1 1376 . 9 2 2 B 27 27 ASN H H 808 8.877 8.155 0.722 1
1 1377 . 9 2 2 B 27 27 ASN HA H 808 4.732 5.080 -0.348 1
1 1382 . 9 2 2 B 27 27 ASN CA C 808 53.413 51.962 1.451 1
1 1383 . 9 2 2 B 27 27 ASN CB C 808 38.244 39.534 -1.290 1
1 1384 . 9 2 2 B 27 27 ASN N N 808 117.000 117.905 -0.905 1
1 1386 . 9 2 2 B 28 28 SER H H 809 7.969 8.002 -0.033 1
1 1387 . 9 2 2 B 28 28 SER HA H 809 4.440 4.726 -0.286 1
1 1390 . 9 2 2 B 28 28 SER CA C 809 60.606 57.879 2.727 1
1 1391 . 9 2 2 B 28 28 SER CB C 809 64.021 64.442 -0.421 1
1 1392 . 9 2 2 B 28 28 SER N N 809 114.356 116.712 -2.356 1
1 1393 . 9 2 2 B 29 29 VAL HA H 810 4.304 4.776 -0.472 1
1 1401 . 9 2 2 B 29 29 VAL CA C 810 60.803 60.492 0.311 1
1 1402 . 9 2 2 B 29 29 VAL CB C 810 34.232 36.556 -2.324 1
1 1405 . 9 2 2 B 30 30 LYS H H 811 8.707 8.571 0.136 1
1 1406 . 9 2 2 B 30 30 LYS HA H 811 4.552 4.698 -0.146 1
1 1415 . 9 2 2 B 30 30 LYS CA C 811 55.058 54.753 0.305 1
1 1416 . 9 2 2 B 30 30 LYS CB C 811 31.782 32.779 -0.997 1
1 1420 . 9 2 2 B 30 30 LYS N N 811 127.196 125.277 1.919 1
1 1421 . 9 2 2 B 31 31 ILE H H 812 8.604 8.382 0.222 1
1 1422 . 9 2 2 B 31 31 ILE HA H 812 3.662 3.671 -0.009 1
1 1432 . 9 2 2 B 31 31 ILE CA C 812 64.066 64.990 -0.924 1
1 1433 . 9 2 2 B 31 31 ILE CB C 812 37.726 37.617 0.109 1
1 1437 . 9 2 2 B 31 31 ILE N N 812 125.497 124.827 0.670 1
1 1438 . 9 2 2 B 32 32 GLU H H 813 9.330 8.389 0.941 1
1 1439 . 9 2 2 B 32 32 GLU HA H 813 4.162 4.206 -0.044 1
1 1444 . 9 2 2 B 32 32 GLU CA C 813 58.096 58.513 -0.417 1
1 1445 . 9 2 2 B 32 32 GLU CB C 813 28.834 30.076 -1.242 1
1 1447 . 9 2 2 B 32 32 GLU N N 813 118.888 119.330 -0.442 1
1 1448 . 9 2 2 B 33 33 GLU H H 814 7.742 7.965 -0.223 1
1 1449 . 9 2 2 B 33 33 GLU HA H 814 4.334 4.319 0.015 1
1 1454 . 9 2 2 B 33 33 GLU CA C 814 56.441 58.201 -1.760 1
1 1455 . 9 2 2 B 33 33 GLU CB C 814 30.396 30.142 0.254 1
1 1457 . 9 2 2 B 33 33 GLU N N 814 117.566 118.073 -0.507 1
1 1458 . 9 2 2 B 34 34 ILE H H 815 7.598 7.447 0.151 1
1 1459 . 9 2 2 B 34 34 ILE HA H 815 4.216 3.904 0.312 1
1 1469 . 9 2 2 B 34 34 ILE CA C 815 61.047 64.643 -3.596 1
1 1470 . 9 2 2 B 34 34 ILE CB C 815 38.712 38.225 0.487 1
1 1474 . 9 2 2 B 34 34 ILE N N 815 117.566 118.282 -0.716 1
1 1475 . 9 2 2 B 35 35 MET H H 816 8.177 7.621 0.556 1
1 1476 . 9 2 2 B 35 35 MET HA H 816 4.733 4.606 0.127 1
1 1484 . 9 2 2 B 35 35 MET CA C 816 53.461 53.814 -0.353 1
1 1485 . 9 2 2 B 35 35 MET CB C 816 32.025 33.696 -1.671 1
1 1488 . 9 2 2 B 35 35 MET N N 816 122.665 121.638 1.027 1
1 1489 . 9 2 2 B 36 36 PRO HA H 817 4.743 4.405 0.338 1
1 1496 . 9 2 2 B 36 36 PRO CA C 817 62.542 63.810 -1.268 1
1 1497 . 9 2 2 B 36 36 PRO CB C 817 34.328 32.062 2.266 1
1 1500 . 9 2 2 B 37 37 ASN H H 818 8.374 8.238 0.136 1
1 1501 . 9 2 2 B 37 37 ASN HA H 818 4.752 4.472 0.280 1
1 1504 . 9 2 2 B 37 37 ASN CA C 818 52.995 53.902 -0.907 1
1 1505 . 9 2 2 B 37 37 ASN CB C 818 38.705 36.226 2.479 1
1 1506 . 9 2 2 B 37 37 ASN N N 818 117.378 118.759 -1.381 1
1 1507 . 9 2 2 B 38 38 GLY H H 819 8.314 8.300 0.014 1
1 1508 . 9 2 2 B 38 38 GLY HA2 H 819 3.937 3.963 -0.026 1
1 1509 . 9 2 2 B 38 38 GLY HA3 H 819 3.994 3.963 0.031 1
1 1510 . 9 2 2 B 38 38 GLY CA C 819 45.006 46.222 -1.216 1
1 1511 . 9 2 2 B 38 38 GLY N N 819 108.881 107.768 1.113 1
1 1512 . 9 2 2 B 39 39 ASP H H 820 8.157 7.896 0.261 1
1 1513 . 9 2 2 B 39 39 ASP HA H 820 4.939 5.088 -0.149 1
1 1516 . 9 2 2 B 39 39 ASP CA C 820 51.896 51.216 0.680 1
1 1517 . 9 2 2 B 39 39 ASP CB C 820 41.672 44.124 -2.452 1
1 1518 . 9 2 2 B 39 39 ASP N N 820 121.154 118.034 3.120 1
1 1519 . 9 2 2 B 40 40 PRO HA H 821 4.483 4.440 0.043 1
1 1526 . 9 2 2 B 40 40 PRO CA C 821 63.351 64.241 -0.890 1
1 1527 . 9 2 2 B 40 40 PRO CB C 821 32.066 32.113 -0.047 1
1 1530 . 9 2 2 B 41 41 LEU H H 822 8.440 7.640 0.800 1
1 1531 . 9 2 2 B 41 41 LEU HA H 822 4.262 4.074 0.188 1
1 1541 . 9 2 2 B 41 41 LEU CA C 822 55.539 57.163 -1.624 1
1 1542 . 9 2 2 B 41 41 LEU CB C 822 41.496 40.908 0.588 1
1 1546 . 9 2 2 B 41 41 LEU N N 822 119.644 118.575 1.069 1
1 1547 . 9 2 2 B 42 42 LEU H H 823 7.863 7.892 -0.029 1
1 1548 . 9 2 2 B 42 42 LEU HA H 823 4.353 3.905 0.448 1
1 1558 . 9 2 2 B 42 42 LEU CA C 823 54.598 57.791 -3.193 1
1 1559 . 9 2 2 B 42 42 LEU CB C 823 42.025 41.781 0.244 1
1 1563 . 9 2 2 B 42 42 LEU N N 823 120.399 120.512 -0.113 1
1 1564 . 9 2 2 B 43 43 ALA H H 824 8.022 8.213 -0.191 1
1 1565 . 9 2 2 B 43 43 ALA HA H 824 4.330 4.048 0.282 1
1 1569 . 9 2 2 B 43 43 ALA CA C 824 52.539 55.534 -2.995 1
1 1570 . 9 2 2 B 43 43 ALA CB C 824 19.126 18.060 1.066 1
1 1571 . 9 2 2 B 43 43 ALA N N 824 123.420 120.561 2.859 1
1 1572 . 9 2 2 B 44 44 GLY H H 825 8.346 8.503 -0.157 1
1 1573 . 9 2 2 B 44 44 GLY HA2 H 825 3.973 3.994 -0.021 1
1 1574 . 9 2 2 B 44 44 GLY HA3 H 825 3.973 3.994 -0.021 1
1 1575 . 9 2 2 B 44 44 GLY CA C 825 45.123 46.689 -1.566 1
1 1576 . 9 2 2 B 44 44 GLY N N 825 107.559 105.094 2.465 1
1 1577 . 9 2 2 B 45 45 GLN H H 826 8.204 8.049 0.155 1
1 1578 . 9 2 2 B 45 45 GLN HA H 826 4.377 4.561 -0.184 1
1 1585 . 9 2 2 B 45 45 GLN CA C 826 55.686 54.926 0.760 1
1 1586 . 9 2 2 B 45 45 GLN CB C 826 29.376 29.744 -0.368 1
1 1588 . 9 2 2 B 45 45 GLN N N 826 119.266 117.569 1.697 1
1 1590 . 9 2 2 B 46 46 ASN H H 827 8.556 8.403 0.153 1
1 1591 . 9 2 2 B 46 46 ASN HA H 827 4.824 5.016 -0.192 1
1 1596 . 9 2 2 B 46 46 ASN CA C 827 53.216 53.935 -0.719 1
1 1597 . 9 2 2 B 46 46 ASN CB C 827 38.759 41.806 -3.047 1
1 1598 . 9 2 2 B 46 46 ASN N N 827 119.266 118.014 1.252 1
1 1600 . 9 2 2 B 47 47 THR H H 828 8.127 7.723 0.404 1
1 1601 . 9 2 2 B 47 47 THR HA H 828 4.414 4.433 -0.019 1
1 1606 . 9 2 2 B 47 47 THR CA C 828 61.564 61.280 0.284 1
1 1607 . 9 2 2 B 47 47 THR CB C 828 69.507 70.790 -1.283 1
1 1609 . 9 2 2 B 47 47 THR N N 828 113.790 110.378 3.412 1
1 1610 . 9 2 2 B 48 48 VAL H H 829 8.140 8.315 -0.175 1
1 1611 . 9 2 2 B 48 48 VAL HA H 829 4.091 5.089 -0.998 1
1 1619 . 9 2 2 B 48 48 VAL CA C 829 62.146 59.097 3.049 1
1 1620 . 9 2 2 B 48 48 VAL CB C 829 32.515 35.993 -3.478 1
1 1623 . 9 2 2 B 48 48 VAL N N 829 120.776 113.813 6.963 1
1 1624 . 9 2 2 B 49 49 ASP H H 830 8.287 8.951 -0.664 1
1 1625 . 9 2 2 B 49 49 ASP HA H 830 4.617 5.020 -0.403 1
1 1628 . 9 2 2 B 49 49 ASP CA C 830 54.308 55.009 -0.701 1
1 1629 . 9 2 2 B 49 49 ASP CB C 830 41.241 40.917 0.324 1
1 1630 . 9 2 2 B 49 49 ASP N N 830 123.042 121.364 1.678 1
1 1631 . 9 2 2 B 50 50 GLU H H 831 8.242 8.951 -0.709 1
1 1632 . 9 2 2 B 50 50 GLU HA H 831 4.261 4.120 0.141 1
1 1637 . 9 2 2 B 50 50 GLU CA C 831 56.521 58.755 -2.234 1
1 1638 . 9 2 2 B 50 50 GLU CB C 831 30.209 28.626 1.583 1
1 1640 . 9 2 2 B 50 50 GLU N N 831 120.776 119.087 1.689 1
1 1641 . 9 2 2 B 51 51 VAL H H 832 8.044 7.616 0.428 1
1 1642 . 9 2 2 B 51 51 VAL HA H 832 3.988 4.162 -0.174 1
1 1650 . 9 2 2 B 51 51 VAL CA C 832 62.472 63.661 -1.189 1
1 1651 . 9 2 2 B 51 51 VAL CB C 832 32.278 32.031 0.247 1
1 1654 . 9 2 2 B 51 51 VAL N N 832 120.021 117.072 2.949 1
1 1655 . 9 2 2 B 52 52 TYR H H 833 8.148 7.934 0.214 1
1 1656 . 9 2 2 B 52 52 TYR HA H 833 4.598 4.830 -0.232 1
1 1663 . 9 2 2 B 52 52 TYR CA C 833 57.743 57.534 0.209 1
1 1664 . 9 2 2 B 52 52 TYR CB C 833 38.702 40.072 -1.370 1
1 1667 . 9 2 2 B 52 52 TYR N N 833 122.854 117.548 5.306 1
1 1668 . 9 2 2 B 53 53 VAL H H 834 7.868 7.140 0.728 1
1 1669 . 9 2 2 B 53 53 VAL HA H 834 4.114 3.336 0.778 1
1 1677 . 9 2 2 B 53 53 VAL CA C 834 61.508 61.619 -0.111 1
1 1678 . 9 2 2 B 53 53 VAL CB C 834 33.010 32.499 0.511 1
1 1681 . 9 2 2 B 53 53 VAL N N 834 121.721 119.971 1.750 1
1 1682 . 9 2 2 B 54 54 SER H H 835 8.237 8.401 -0.164 1
1 1683 . 9 2 2 B 54 54 SER HA H 835 4.422 4.151 0.271 1
1 1686 . 9 2 2 B 54 54 SER CA C 835 57.823 60.649 -2.826 1
1 1687 . 9 2 2 B 54 54 SER CB C 835 63.437 62.936 0.501 1
1 1688 . 9 2 2 B 54 54 SER N N 835 119.077 117.408 1.669 1
1 1689 . 9 2 2 B 55 55 ARG H H 836 8.284 7.749 0.535 1
1 1690 . 9 2 2 B 55 55 ARG HA H 836 4.701 4.766 -0.065 1
1 1697 . 9 2 2 B 55 55 ARG CA C 836 53.601 53.794 -0.193 1
1 1698 . 9 2 2 B 55 55 ARG CB C 836 30.394 30.599 -0.205 1
1 1701 . 9 2 2 B 55 55 ARG N N 836 123.798 120.623 3.175 1
1 1702 . 9 2 2 B 56 56 PRO HA H 837 4.485 4.381 0.104 1
1 1709 . 9 2 2 B 56 56 PRO CA C 837 63.351 64.657 -1.306 1
1 1710 . 9 2 2 B 56 56 PRO CB C 837 31.795 32.027 -0.232 1
1 7 . 10 1 1 A 2 2 THR HA H 341 4.462 4.633 -0.171 1
1 12 . 10 1 1 A 2 2 THR CA C 341 61.936 60.016 1.920 1
1 13 . 10 1 1 A 2 2 THR CB C 341 69.770 70.457 -0.687 1
1 15 . 10 1 1 A 3 3 GLY HA2 H 342 4.141 4.176 -0.035 1
1 16 . 10 1 1 A 3 3 GLY HA3 H 342 4.238 4.176 0.062 1
1 17 . 10 1 1 A 3 3 GLY CA C 342 44.424 45.370 -0.946 1
1 18 . 10 1 1 A 4 4 PRO HA H 343 4.567 4.378 0.189 1
1 25 . 10 1 1 A 4 4 PRO CA C 343 63.088 64.075 -0.987 1
1 26 . 10 1 1 A 4 4 PRO CB C 343 32.443 31.952 0.491 1
1 29 . 10 1 1 A 5 5 THR H H 344 8.284 7.815 0.469 1
1 30 . 10 1 1 A 5 5 THR HA H 344 4.342 4.256 0.086 1
1 35 . 10 1 1 A 5 5 THR CA C 344 61.936 63.498 -1.562 1
1 36 . 10 1 1 A 5 5 THR CB C 344 69.539 68.580 0.959 1
1 38 . 10 1 1 A 5 5 THR N N 344 113.968 108.707 5.261 1
1 39 . 10 1 1 A 6 6 ALA H H 345 8.269 7.390 0.879 1
1 40 . 10 1 1 A 6 6 ALA HA H 345 4.434 4.912 -0.478 1
1 44 . 10 1 1 A 6 6 ALA CA C 345 52.028 50.182 1.846 1
1 45 . 10 1 1 A 6 6 ALA CB C 345 19.771 22.096 -2.325 1
1 46 . 10 1 1 A 6 6 ALA N N 345 126.619 123.796 2.823 1
1 47 . 10 1 1 A 7 7 ASP H H 346 8.454 8.573 -0.119 1
1 48 . 10 1 1 A 7 7 ASP HA H 346 4.917 5.031 -0.114 1
1 51 . 10 1 1 A 7 7 ASP CA C 346 52.719 51.390 1.329 1
1 52 . 10 1 1 A 7 7 ASP CB C 346 41.659 41.667 -0.008 1
1 53 . 10 1 1 A 7 7 ASP N N 346 120.766 122.139 -1.373 1
1 54 . 10 1 1 A 8 8 PRO HA H 347 4.398 4.267 0.131 1
1 61 . 10 1 1 A 8 8 PRO CA C 347 64.931 65.473 -0.542 1
1 62 . 10 1 1 A 8 8 PRO CB C 347 32.388 31.799 0.589 1
1 65 . 10 1 1 A 9 9 GLU H H 348 8.113 8.034 0.079 1
1 66 . 10 1 1 A 9 9 GLU HA H 348 4.154 4.104 0.050 1
1 71 . 10 1 1 A 9 9 GLU CB C 348 30.138 29.435 0.703 1
1 73 . 10 1 1 A 9 9 GLU N N 348 116.423 118.104 -1.681 1
1 74 . 10 1 1 A 10 10 LYS H H 349 7.699 8.207 -0.508 1
1 75 . 10 1 1 A 10 10 LYS HA H 349 3.982 3.982 0.000 1
1 84 . 10 1 1 A 10 10 LYS CA C 349 60.092 59.523 0.569 1
1 85 . 10 1 1 A 10 10 LYS CB C 349 32.558 32.517 0.041 1
1 89 . 10 1 1 A 10 10 LYS N N 349 119.255 120.015 -0.760 1
1 90 . 10 1 1 A 11 11 ARG H H 350 7.845 8.215 -0.370 1
1 91 . 10 1 1 A 11 11 ARG HA H 350 3.656 3.950 -0.294 1
1 98 . 10 1 1 A 11 11 ARG CA C 350 60.092 59.340 0.752 1
1 99 . 10 1 1 A 11 11 ARG CB C 350 28.295 29.914 -1.619 1
1 102 . 10 1 1 A 11 11 ARG N N 350 117.178 119.401 -2.223 1
1 103 . 10 1 1 A 12 12 LYS H H 351 7.888 7.727 0.161 1
1 104 . 10 1 1 A 12 12 LYS HA H 351 4.198 4.239 -0.041 1
1 109 . 10 1 1 A 12 12 LYS CA C 351 59.631 59.010 0.621 1
1 110 . 10 1 1 A 12 12 LYS CB C 351 32.673 31.658 1.015 1
1 112 . 10 1 1 A 12 12 LYS N N 351 117.745 118.202 -0.457 1
1 113 . 10 1 1 A 13 13 LEU H H 352 7.696 7.861 -0.165 1
1 114 . 10 1 1 A 13 13 LEU HA H 352 4.259 4.068 0.191 1
1 124 . 10 1 1 A 13 13 LEU CA C 352 58.019 57.890 0.129 1
1 125 . 10 1 1 A 13 13 LEU CB C 352 42.120 41.673 0.447 1
1 129 . 10 1 1 A 13 13 LEU N N 352 119.444 120.556 -1.112 1
1 130 . 10 1 1 A 14 14 ILE H H 353 7.831 7.608 0.223 1
1 131 . 10 1 1 A 14 14 ILE HA H 353 3.648 3.778 -0.130 1
1 141 . 10 1 1 A 14 14 ILE CA C 353 65.392 64.378 1.014 1
1 142 . 10 1 1 A 14 14 ILE CB C 353 38.203 37.472 0.731 1
1 146 . 10 1 1 A 14 14 ILE N N 353 118.311 115.270 3.041 1
1 147 . 10 1 1 A 15 15 GLN H H 354 8.178 7.957 0.221 1
1 148 . 10 1 1 A 15 15 GLN HA H 354 3.791 3.868 -0.077 1
1 155 . 10 1 1 A 15 15 GLN CA C 354 59.631 59.127 0.504 1
1 156 . 10 1 1 A 15 15 GLN CB C 354 30.369 28.143 2.226 1
1 158 . 10 1 1 A 15 15 GLN N N 354 116.423 121.072 -4.649 1
1 160 . 10 1 1 A 16 16 GLN H H 355 8.192 8.244 -0.052 1
1 161 . 10 1 1 A 16 16 GLN HA H 355 3.799 4.045 -0.246 1
1 168 . 10 1 1 A 16 16 GLN CA C 355 59.171 59.002 0.169 1
1 169 . 10 1 1 A 16 16 GLN CB C 355 28.986 28.541 0.445 1
1 171 . 10 1 1 A 16 16 GLN N N 355 117.178 118.461 -1.283 1
1 173 . 10 1 1 A 17 17 GLN H H 356 7.970 7.748 0.222 1
1 174 . 10 1 1 A 17 17 GLN HA H 356 3.136 4.007 -0.871 1
1 181 . 10 1 1 A 17 17 GLN CA C 356 60.323 58.613 1.710 1
1 182 . 10 1 1 A 17 17 GLN CB C 356 27.143 28.150 -1.007 1
1 184 . 10 1 1 A 17 17 GLN N N 356 118.311 119.623 -1.312 1
1 186 . 10 1 1 A 18 18 LEU H H 357 8.408 8.071 0.337 1
1 187 . 10 1 1 A 18 18 LEU HA H 357 3.863 4.002 -0.139 1
1 197 . 10 1 1 A 18 18 LEU CA C 357 58.710 58.363 0.347 1
1 198 . 10 1 1 A 18 18 LEU CB C 357 40.968 41.850 -0.882 1
1 202 . 10 1 1 A 18 18 LEU N N 357 117.934 121.209 -3.275 1
1 203 . 10 1 1 A 19 19 VAL H H 358 8.544 8.090 0.454 1
1 204 . 10 1 1 A 19 19 VAL HA H 358 3.479 3.444 0.035 1
1 212 . 10 1 1 A 19 19 VAL CA C 358 66.544 67.009 -0.465 1
1 213 . 10 1 1 A 19 19 VAL CB C 358 31.060 31.182 -0.122 1
1 216 . 10 1 1 A 19 19 VAL N N 358 116.423 119.164 -2.741 1
1 217 . 10 1 1 A 20 20 LEU H H 359 7.820 7.971 -0.151 1
1 218 . 10 1 1 A 20 20 LEU HA H 359 3.952 3.960 -0.008 1
1 228 . 10 1 1 A 20 20 LEU CA C 359 58.019 57.997 0.022 1
1 229 . 10 1 1 A 20 20 LEU CB C 359 42.696 41.268 1.428 1
1 233 . 10 1 1 A 20 20 LEU N N 359 120.955 120.107 0.848 1
1 234 . 10 1 1 A 21 21 LEU H H 360 8.278 7.917 0.361 1
1 235 . 10 1 1 A 21 21 LEU HA H 360 3.868 4.084 -0.216 1
1 245 . 10 1 1 A 21 21 LEU CA C 360 58.710 58.049 0.661 1
1 246 . 10 1 1 A 21 21 LEU CB C 360 42.811 41.560 1.251 1
1 250 . 10 1 1 A 21 21 LEU N N 360 121.144 119.933 1.211 1
1 251 . 10 1 1 A 22 22 LEU H H 361 8.331 8.109 0.222 1
1 252 . 10 1 1 A 22 22 LEU HA H 361 3.919 3.898 0.021 1
1 262 . 10 1 1 A 22 22 LEU CA C 361 57.788 58.223 -0.435 1
1 263 . 10 1 1 A 22 22 LEU CB C 361 41.083 41.284 -0.201 1
1 267 . 10 1 1 A 22 22 LEU N N 361 118.500 118.383 0.117 1
1 268 . 10 1 1 A 23 23 HIS H H 362 8.620 8.428 0.192 1
1 269 . 10 1 1 A 23 23 HIS HA H 362 4.114 4.221 -0.107 1
1 274 . 10 1 1 A 23 23 HIS CA C 362 60.323 59.727 0.596 1
1 275 . 10 1 1 A 23 23 HIS CB C 362 27.834 30.029 -2.195 1
1 278 . 10 1 1 A 23 23 HIS N N 362 117.934 117.980 -0.046 1
1 279 . 10 1 1 A 24 24 ALA H H 363 9.049 8.434 0.615 1
1 280 . 10 1 1 A 24 24 ALA HA H 363 3.954 4.000 -0.046 1
1 284 . 10 1 1 A 24 24 ALA CA C 363 55.253 55.165 0.088 1
1 285 . 10 1 1 A 24 24 ALA CB C 363 19.079 18.343 0.736 1
1 286 . 10 1 1 A 24 24 ALA N N 363 121.710 120.704 1.006 1
1 287 . 10 1 1 A 25 25 HIS H H 364 7.955 8.065 -0.110 1
1 288 . 10 1 1 A 25 25 HIS HA H 364 4.130 4.275 -0.145 1
1 293 . 10 1 1 A 25 25 HIS CA C 364 60.092 59.458 0.634 1
1 294 . 10 1 1 A 25 25 HIS CB C 364 31.060 29.708 1.352 1
1 297 . 10 1 1 A 25 25 HIS N N 364 115.856 118.034 -2.178 1
1 298 . 10 1 1 A 26 26 LYS H H 365 7.053 7.945 -0.892 1
1 299 . 10 1 1 A 26 26 LYS HA H 365 4.014 3.857 0.157 1
1 302 . 10 1 1 A 26 26 LYS CA C 365 57.788 59.329 -1.541 1
1 303 . 10 1 1 A 26 26 LYS CB C 365 32.903 32.010 0.893 1
1 304 . 10 1 1 A 26 26 LYS N N 365 117.178 116.900 0.278 1
1 305 . 10 1 1 A 27 27 CYS H H 366 8.592 8.157 0.435 1
1 306 . 10 1 1 A 27 27 CYS HA H 366 3.741 3.986 -0.245 1
1 309 . 10 1 1 A 27 27 CYS CA C 366 62.396 62.430 -0.034 1
1 310 . 10 1 1 A 27 27 CYS CB C 366 29.678 26.711 2.967 1
1 311 . 10 1 1 A 27 27 CYS N N 366 123.976 118.986 4.990 1
1 312 . 10 1 1 A 28 28 GLN H H 367 8.349 8.350 -0.001 1
1 313 . 10 1 1 A 28 28 GLN HA H 367 4.283 3.925 0.358 1
1 320 . 10 1 1 A 28 28 GLN CA C 367 57.327 59.239 -1.912 1
1 321 . 10 1 1 A 28 28 GLN CB C 367 29.217 28.379 0.838 1
1 323 . 10 1 1 A 28 28 GLN N N 367 119.444 119.873 -0.429 1
1 325 . 10 1 1 A 29 29 ARG H H 368 7.635 7.643 -0.008 1
1 326 . 10 1 1 A 29 29 ARG HA H 368 4.169 4.053 0.116 1
1 333 . 10 1 1 A 29 29 ARG CA C 368 57.558 59.846 -2.288 1
1 334 . 10 1 1 A 29 29 ARG CB C 368 29.908 29.851 0.057 1
1 337 . 10 1 1 A 29 29 ARG N N 368 119.444 118.336 1.108 1
1 338 . 10 1 1 A 30 30 ARG H H 369 8.018 7.778 0.240 1
1 339 . 10 1 1 A 30 30 ARG HA H 369 4.260 4.024 0.236 1
1 346 . 10 1 1 A 30 30 ARG CA C 369 57.558 59.845 -2.287 1
1 347 . 10 1 1 A 30 30 ARG CB C 369 30.599 30.096 0.503 1
1 350 . 10 1 1 A 30 30 ARG N N 369 120.388 119.057 1.331 1
1 351 . 10 1 1 A 31 31 GLU H H 370 8.208 7.846 0.362 1
1 352 . 10 1 1 A 31 31 GLU HA H 370 4.236 4.134 0.102 1
1 357 . 10 1 1 A 31 31 GLU CA C 370 57.788 59.030 -1.242 1
1 358 . 10 1 1 A 31 31 GLU CB C 370 30.369 29.464 0.905 1
1 360 . 10 1 1 A 31 31 GLU N N 370 120.388 119.519 0.869 1
1 361 . 10 1 1 A 32 32 GLN H H 371 8.165 8.383 -0.218 1
1 362 . 10 1 1 A 32 32 GLN HA H 371 4.313 4.024 0.289 1
1 367 . 10 1 1 A 32 32 GLN CA C 371 56.636 58.853 -2.217 1
1 368 . 10 1 1 A 32 32 GLN CB C 371 29.217 28.140 1.077 1
1 370 . 10 1 1 A 32 32 GLN N N 371 118.878 119.325 -0.447 1
1 371 . 10 1 1 A 33 33 ALA H H 372 8.095 7.669 0.426 1
1 372 . 10 1 1 A 33 33 ALA HA H 372 4.327 4.167 0.160 1
1 376 . 10 1 1 A 33 33 ALA CA C 372 53.180 53.956 -0.776 1
1 377 . 10 1 1 A 33 33 ALA CB C 372 19.079 18.497 0.582 1
1 378 . 10 1 1 A 33 33 ALA N N 372 123.032 121.142 1.890 1
1 379 . 10 1 1 A 34 34 ASN H H 373 8.186 8.067 0.119 1
1 380 . 10 1 1 A 34 34 ASN HA H 373 4.735 5.009 -0.274 1
1 383 . 10 1 1 A 34 34 ASN CA C 373 53.410 53.201 0.209 1
1 384 . 10 1 1 A 34 34 ASN CB C 373 38.894 41.029 -2.135 1
1 385 . 10 1 1 A 34 34 ASN N N 373 115.479 116.462 -0.983 1
1 386 . 10 1 1 A 35 35 GLY H H 374 8.266 9.351 -1.085 1
1 387 . 10 1 1 A 35 35 GLY HA2 H 374 3.943 3.948 -0.005 1
1 388 . 10 1 1 A 35 35 GLY HA3 H 374 4.044 3.949 0.095 1
1 389 . 10 1 1 A 35 35 GLY CA C 374 45.576 45.380 0.196 1
1 390 . 10 1 1 A 35 35 GLY N N 374 108.492 108.023 0.469 1
1 391 . 10 1 1 A 36 36 GLU H H 375 8.132 7.846 0.286 1
1 392 . 10 1 1 A 36 36 GLU HA H 375 4.368 4.863 -0.495 1
1 397 . 10 1 1 A 36 36 GLU CA C 375 55.945 55.842 0.103 1
1 398 . 10 1 1 A 36 36 GLU CB C 375 30.369 33.517 -3.148 1
1 400 . 10 1 1 A 36 36 GLU N N 375 119.822 120.693 -0.871 1
1 401 . 10 1 1 A 37 37 VAL H H 376 8.132 8.524 -0.392 1
1 402 . 10 1 1 A 37 37 VAL HA H 376 4.139 4.632 -0.493 1
1 410 . 10 1 1 A 37 37 VAL CA C 376 62.166 59.700 2.466 1
1 411 . 10 1 1 A 37 37 VAL CB C 376 32.673 35.099 -2.426 1
1 414 . 10 1 1 A 37 37 VAL N N 376 121.144 122.263 -1.119 1
1 415 . 10 1 1 A 38 38 ARG H H 377 8.455 9.028 -0.573 1
1 416 . 10 1 1 A 38 38 ARG HA H 377 4.392 4.037 0.355 1
1 423 . 10 1 1 A 38 38 ARG CA C 377 55.253 56.974 -1.721 1
1 424 . 10 1 1 A 38 38 ARG CB C 377 31.060 30.315 0.745 1
1 427 . 10 1 1 A 38 38 ARG N N 377 125.109 125.008 0.101 1
1 428 . 10 1 1 A 39 39 ALA H H 378 8.384 7.848 0.536 1
1 429 . 10 1 1 A 39 39 ALA HA H 378 4.287 3.990 0.297 1
1 433 . 10 1 1 A 39 39 ALA CA C 378 52.028 54.162 -2.134 1
1 434 . 10 1 1 A 39 39 ALA CB C 378 19.540 17.842 1.698 1
1 435 . 10 1 1 A 39 39 ALA N N 378 126.053 122.239 3.814 1
1 436 . 10 1 1 A 40 40 CYS H H 379 8.480 8.237 0.243 1
1 437 . 10 1 1 A 40 40 CYS HA H 379 4.344 4.906 -0.562 1
1 440 . 10 1 1 A 40 40 CYS CA C 379 60.092 57.353 2.739 1
1 441 . 10 1 1 A 40 40 CYS CB C 379 30.138 30.511 -0.373 1
1 442 . 10 1 1 A 40 40 CYS N N 379 123.787 116.788 6.999 1
1 443 . 10 1 1 A 41 41 SER HA H 380 4.588 4.790 -0.202 1
1 446 . 10 1 1 A 41 41 SER CA C 380 57.788 57.094 0.694 1
1 447 . 10 1 1 A 41 41 SER CB C 380 63.779 64.291 -0.512 1
1 448 . 10 1 1 A 42 42 LEU H H 381 8.642 7.275 1.367 1
1 449 . 10 1 1 A 42 42 LEU HA H 381 4.488 4.306 0.182 1
1 459 . 10 1 1 A 42 42 LEU CA C 381 53.871 53.085 0.786 1
1 460 . 10 1 1 A 42 42 LEU CB C 381 41.659 42.868 -1.209 1
1 464 . 10 1 1 A 42 42 LEU N N 381 129.074 123.590 5.484 1
1 465 . 10 1 1 A 43 43 PRO HA H 382 4.095 4.118 -0.023 1
1 472 . 10 1 1 A 43 43 PRO CA C 382 64.470 65.167 -0.697 1
1 473 . 10 1 1 A 43 43 PRO CB C 382 31.751 31.691 0.060 1
1 476 . 10 1 1 A 44 44 HIS H H 383 8.014 8.053 -0.039 1
1 477 . 10 1 1 A 44 44 HIS HA H 383 4.527 4.948 -0.421 1
1 482 . 10 1 1 A 44 44 HIS CA C 383 58.249 55.111 3.138 1
1 483 . 10 1 1 A 44 44 HIS CB C 383 30.369 30.288 0.081 1
1 486 . 10 1 1 A 44 44 HIS N N 383 110.569 113.537 -2.968 1
1 487 . 10 1 1 A 45 45 CYS H H 384 7.729 7.752 -0.023 1
1 488 . 10 1 1 A 45 45 CYS HA H 384 4.023 3.922 0.101 1
1 491 . 10 1 1 A 45 45 CYS CA C 384 64.470 62.683 1.787 1
1 492 . 10 1 1 A 45 45 CYS CB C 384 28.756 26.625 2.131 1
1 493 . 10 1 1 A 45 45 CYS N N 384 124.165 120.603 3.562 1
1 494 . 10 1 1 A 46 46 ARG H H 385 8.239 8.092 0.147 1
1 495 . 10 1 1 A 46 46 ARG HA H 385 3.978 4.113 -0.135 1
1 502 . 10 1 1 A 46 46 ARG CA C 385 59.401 58.782 0.619 1
1 503 . 10 1 1 A 46 46 ARG CB C 385 28.986 30.045 -1.059 1
1 506 . 10 1 1 A 46 46 ARG N N 385 116.612 119.324 -2.712 1
1 507 . 10 1 1 A 47 47 THR H H 386 7.496 8.191 -0.695 1
1 508 . 10 1 1 A 47 47 THR HA H 386 4.008 3.914 0.094 1
1 513 . 10 1 1 A 47 47 THR CA C 386 65.853 67.047 -1.194 1
1 514 . 10 1 1 A 47 47 THR CB C 386 68.387 68.431 -0.044 1
1 516 . 10 1 1 A 47 47 THR N N 386 114.346 116.437 -2.091 1
1 517 . 10 1 1 A 48 48 MET H H 387 8.216 8.152 0.064 1
1 518 . 10 1 1 A 48 48 MET HA H 387 4.622 4.044 0.578 1
1 526 . 10 1 1 A 48 48 MET CA C 387 56.636 59.133 -2.497 1
1 527 . 10 1 1 A 48 48 MET CB C 387 31.291 32.866 -1.575 1
1 530 . 10 1 1 A 48 48 MET N N 387 119.444 118.391 1.053 1
1 531 . 10 1 1 A 49 49 LYS H H 388 9.306 8.195 1.111 1
1 532 . 10 1 1 A 49 49 LYS HA H 388 3.923 4.032 -0.109 1
1 541 . 10 1 1 A 49 49 LYS CA C 388 61.244 60.169 1.075 1
1 542 . 10 1 1 A 49 49 LYS CB C 388 32.903 32.472 0.431 1
1 546 . 10 1 1 A 49 49 LYS N N 388 122.276 118.241 4.035 1
1 547 . 10 1 1 A 50 50 ASN H H 389 8.069 8.044 0.025 1
1 548 . 10 1 1 A 50 50 ASN HA H 389 4.629 4.582 0.047 1
1 553 . 10 1 1 A 50 50 ASN CA C 389 56.175 56.342 -0.167 1
1 554 . 10 1 1 A 50 50 ASN CB C 389 37.512 38.480 -0.968 1
1 555 . 10 1 1 A 50 50 ASN N N 389 117.178 117.943 -0.765 1
1 557 . 10 1 1 A 51 51 VAL H H 390 8.116 7.717 0.399 1
1 558 . 10 1 1 A 51 51 VAL HA H 390 3.803 3.741 0.062 1
1 566 . 10 1 1 A 51 51 VAL CA C 390 67.235 66.338 0.897 1
1 567 . 10 1 1 A 51 51 VAL CB C 390 31.751 31.432 0.319 1
1 570 . 10 1 1 A 51 51 VAL N N 390 123.598 120.096 3.502 1
1 571 . 10 1 1 A 52 52 LEU H H 391 8.735 8.444 0.291 1
1 572 . 10 1 1 A 52 52 LEU HA H 391 4.123 4.059 0.064 1
1 582 . 10 1 1 A 52 52 LEU CA C 391 58.479 58.250 0.229 1
1 583 . 10 1 1 A 52 52 LEU CB C 391 41.659 41.562 0.097 1
1 587 . 10 1 1 A 52 52 LEU N N 391 120.955 119.865 1.090 1
1 588 . 10 1 1 A 53 53 ASN H H 392 8.231 8.386 -0.155 1
1 589 . 10 1 1 A 53 53 ASN HA H 392 4.561 4.619 -0.058 1
1 594 . 10 1 1 A 53 53 ASN CA C 392 56.175 56.360 -0.185 1
1 595 . 10 1 1 A 53 53 ASN CB C 392 38.433 37.573 0.860 1
1 596 . 10 1 1 A 53 53 ASN N N 392 116.801 116.676 0.125 1
1 598 . 10 1 1 A 54 54 HIS H H 393 8.049 8.048 0.001 1
1 599 . 10 1 1 A 54 54 HIS HA H 393 4.418 4.369 0.049 1
1 604 . 10 1 1 A 54 54 HIS CA C 393 59.401 59.886 -0.485 1
1 605 . 10 1 1 A 54 54 HIS CB C 393 27.604 30.094 -2.490 1
1 608 . 10 1 1 A 54 54 HIS N N 393 120.011 121.089 -1.078 1
1 609 . 10 1 1 A 55 55 MET H H 394 9.118 8.523 0.595 1
1 610 . 10 1 1 A 55 55 MET HA H 394 3.704 3.946 -0.242 1
1 618 . 10 1 1 A 55 55 MET CA C 394 59.401 58.445 0.956 1
1 619 . 10 1 1 A 55 55 MET CB C 394 34.286 32.572 1.714 1
1 622 . 10 1 1 A 55 55 MET N N 394 119.066 116.826 2.240 1
1 623 . 10 1 1 A 56 56 THR H H 395 7.521 7.772 -0.251 1
1 624 . 10 1 1 A 56 56 THR HA H 395 3.915 4.074 -0.159 1
1 629 . 10 1 1 A 56 56 THR CA C 395 65.392 64.459 0.933 1
1 630 . 10 1 1 A 56 56 THR CB C 395 69.309 68.291 1.018 1
1 632 . 10 1 1 A 56 56 THR N N 395 110.758 115.726 -4.968 1
1 633 . 10 1 1 A 57 57 HIS H H 396 7.023 7.842 -0.819 1
1 634 . 10 1 1 A 57 57 HIS HA H 396 4.846 4.755 0.091 1
1 639 . 10 1 1 A 57 57 HIS CA C 396 55.023 55.884 -0.861 1
1 640 . 10 1 1 A 57 57 HIS CB C 396 30.830 31.483 -0.653 1
1 643 . 10 1 1 A 57 57 HIS N N 396 115.668 115.665 0.003 1
1 644 . 10 1 1 A 58 58 CYS H H 397 7.134 7.178 -0.044 1
1 645 . 10 1 1 A 58 58 CYS HA H 397 4.048 4.205 -0.157 1
1 648 . 10 1 1 A 58 58 CYS CA C 397 60.784 59.912 0.872 1
1 649 . 10 1 1 A 58 58 CYS CB C 397 29.678 27.937 1.741 1
1 650 . 10 1 1 A 58 58 CYS N N 397 123.598 119.114 4.484 1
1 651 . 10 1 1 A 59 59 GLN HA H 398 4.710 4.750 -0.040 1
1 656 . 10 1 1 A 59 59 GLN CA C 398 55.023 55.504 -0.481 1
1 657 . 10 1 1 A 59 59 GLN CB C 398 29.678 29.776 -0.098 1
1 659 . 10 1 1 A 60 60 ALA H H 399 8.689 7.530 1.159 1
1 660 . 10 1 1 A 60 60 ALA HA H 399 4.414 4.370 0.044 1
1 664 . 10 1 1 A 60 60 ALA CA C 399 52.949 51.924 1.025 1
1 665 . 10 1 1 A 60 60 ALA CB C 399 20.001 19.427 0.574 1
1 666 . 10 1 1 A 60 60 ALA N N 399 124.731 121.661 3.070 1
1 667 . 10 1 1 A 61 61 GLY H H 400 8.166 8.381 -0.215 1
1 668 . 10 1 1 A 61 61 GLY HA2 H 400 3.621 3.844 -0.223 1
1 669 . 10 1 1 A 61 61 GLY HA3 H 400 3.976 3.847 0.129 1
1 670 . 10 1 1 A 61 61 GLY CA C 400 46.267 47.374 -1.107 1
1 671 . 10 1 1 A 61 61 GLY N N 400 107.926 107.346 0.580 1
1 672 . 10 1 1 A 62 62 LYS HA H 401 4.138 4.384 -0.246 1
1 673 . 10 1 1 A 62 62 LYS CA C 401 58.479 55.533 2.946 1
1 674 . 10 1 1 A 63 63 ALA H H 402 7.671 7.986 -0.315 1
1 675 . 10 1 1 A 63 63 ALA HA H 402 4.448 4.491 -0.043 1
1 679 . 10 1 1 A 63 63 ALA CA C 402 51.336 51.163 0.173 1
1 680 . 10 1 1 A 63 63 ALA CB C 402 19.079 20.094 -1.015 1
1 681 . 10 1 1 A 63 63 ALA N N 402 119.444 121.601 -2.157 1
1 682 . 10 1 1 A 64 64 CYS H H 403 7.497 7.601 -0.104 1
1 683 . 10 1 1 A 64 64 CYS HA H 403 3.857 4.347 -0.490 1
1 686 . 10 1 1 A 64 64 CYS CA C 403 62.396 59.713 2.683 1
1 687 . 10 1 1 A 64 64 CYS CB C 403 29.908 28.547 1.361 1
1 688 . 10 1 1 A 64 64 CYS N N 403 121.899 118.236 3.663 1
1 689 . 10 1 1 A 65 65 GLN H H 404 9.025 8.827 0.198 1
1 690 . 10 1 1 A 65 65 GLN HA H 404 4.463 4.335 0.128 1
1 697 . 10 1 1 A 65 65 GLN CA C 404 55.673 57.142 -1.469 1
1 698 . 10 1 1 A 65 65 GLN CB C 404 29.332 29.066 0.266 1
1 700 . 10 1 1 A 65 65 GLN N N 404 128.885 123.833 5.052 1
1 702 . 10 1 1 A 66 66 VAL H H 405 9.337 7.311 2.026 1
1 703 . 10 1 1 A 66 66 VAL HA H 405 3.631 4.146 -0.515 1
1 711 . 10 1 1 A 66 66 VAL CA C 405 64.240 62.231 2.009 1
1 712 . 10 1 1 A 66 66 VAL CB C 405 30.830 30.683 0.147 1
1 715 . 10 1 1 A 66 66 VAL N N 405 127.752 120.459 7.293 1
1 716 . 10 1 1 A 67 67 ALA H H 406 8.581 8.645 -0.064 1
1 717 . 10 1 1 A 67 67 ALA HA H 406 3.761 3.909 -0.148 1
1 721 . 10 1 1 A 67 67 ALA CA C 406 54.101 55.236 -1.135 1
1 722 . 10 1 1 A 67 67 ALA CB C 406 17.467 18.305 -0.838 1
1 723 . 10 1 1 A 67 67 ALA N N 406 133.983 130.764 3.219 1
1 724 . 10 1 1 A 68 68 HIS H H 407 8.099 7.624 0.475 1
1 725 . 10 1 1 A 68 68 HIS HA H 407 4.407 4.391 0.016 1
1 730 . 10 1 1 A 68 68 HIS CA C 407 57.327 58.355 -1.028 1
1 731 . 10 1 1 A 68 68 HIS CB C 407 29.447 30.199 -0.752 1
1 734 . 10 1 1 A 68 68 HIS N N 407 110.569 114.359 -3.790 1
1 735 . 10 1 1 A 69 69 CYS H H 408 8.086 7.840 0.246 1
1 736 . 10 1 1 A 69 69 CYS HA H 408 4.163 4.074 0.089 1
1 739 . 10 1 1 A 69 69 CYS CA C 408 64.240 62.535 1.705 1
1 740 . 10 1 1 A 69 69 CYS CB C 408 29.908 26.986 2.922 1
1 741 . 10 1 1 A 69 69 CYS N N 408 126.619 118.656 7.963 1
1 742 . 10 1 1 A 70 70 ALA H H 409 8.728 8.068 0.660 1
1 743 . 10 1 1 A 70 70 ALA HA H 409 4.333 4.071 0.262 1
1 747 . 10 1 1 A 70 70 ALA CA C 409 55.253 55.459 -0.206 1
1 748 . 10 1 1 A 70 70 ALA CB C 409 17.697 18.178 -0.481 1
1 749 . 10 1 1 A 70 70 ALA N N 409 118.689 123.096 -4.407 1
1 750 . 10 1 1 A 71 71 SER H H 410 9.179 8.087 1.092 1
1 751 . 10 1 1 A 71 71 SER HA H 410 4.138 4.122 0.016 1
1 754 . 10 1 1 A 71 71 SER CA C 410 60.323 61.900 -1.577 1
1 755 . 10 1 1 A 71 71 SER CB C 410 61.244 62.901 -1.657 1
1 756 . 10 1 1 A 71 71 SER N N 410 114.535 113.912 0.623 1
1 757 . 10 1 1 A 72 72 SER H H 411 7.937 8.249 -0.312 1
1 758 . 10 1 1 A 72 72 SER HA H 411 4.048 4.208 -0.160 1
1 762 . 10 1 1 A 72 72 SER CA C 411 64.240 61.543 2.697 1
1 763 . 10 1 1 A 72 72 SER CB C 411 62.396 62.887 -0.491 1
1 764 . 10 1 1 A 72 72 SER N N 411 120.766 117.447 3.319 1
1 765 . 10 1 1 A 73 73 ARG H H 412 8.835 8.415 0.420 1
1 766 . 10 1 1 A 73 73 ARG HA H 412 3.855 3.930 -0.075 1
1 773 . 10 1 1 A 73 73 ARG CA C 412 60.323 59.684 0.639 1
1 774 . 10 1 1 A 73 73 ARG CB C 412 30.369 30.039 0.330 1
1 777 . 10 1 1 A 73 73 ARG N N 412 122.276 121.475 0.801 1
1 778 . 10 1 1 A 74 74 GLN H H 413 7.873 7.365 0.508 1
1 779 . 10 1 1 A 74 74 GLN HA H 413 4.182 4.161 0.021 1
1 786 . 10 1 1 A 74 74 GLN CA C 413 58.710 58.579 0.131 1
1 787 . 10 1 1 A 74 74 GLN CB C 413 29.447 28.590 0.857 1
1 789 . 10 1 1 A 74 74 GLN N N 413 118.689 118.544 0.145 1
1 791 . 10 1 1 A 75 75 ILE H H 414 8.754 8.429 0.325 1
1 792 . 10 1 1 A 75 75 ILE HA H 414 3.617 4.004 -0.387 1
1 802 . 10 1 1 A 75 75 ILE CA C 414 66.544 64.433 2.111 1
1 803 . 10 1 1 A 75 75 ILE CB C 414 38.664 37.361 1.303 1
1 807 . 10 1 1 A 75 75 ILE N N 414 121.710 120.131 1.579 1
1 808 . 10 1 1 A 76 76 ILE H H 415 8.856 8.273 0.583 1
1 809 . 10 1 1 A 76 76 ILE HA H 415 3.863 3.624 0.239 1
1 819 . 10 1 1 A 76 76 ILE CA C 415 64.701 65.252 -0.551 1
1 820 . 10 1 1 A 76 76 ILE CB C 415 37.051 37.630 -0.579 1
1 824 . 10 1 1 A 76 76 ILE N N 415 120.199 123.030 -2.831 1
1 825 . 10 1 1 A 77 77 SER H H 416 7.981 8.080 -0.099 1
1 826 . 10 1 1 A 77 77 SER HA H 416 4.153 4.154 -0.001 1
1 829 . 10 1 1 A 77 77 SER CA C 416 62.166 62.223 -0.057 1
1 830 . 10 1 1 A 77 77 SER CB C 416 62.627 63.108 -0.481 1
1 831 . 10 1 1 A 77 77 SER N N 416 114.346 116.238 -1.892 1
1 832 . 10 1 1 A 78 78 HIS H H 417 8.126 7.788 0.338 1
1 833 . 10 1 1 A 78 78 HIS HA H 417 4.154 4.445 -0.291 1
1 838 . 10 1 1 A 78 78 HIS CA C 417 60.553 59.520 1.033 1
1 839 . 10 1 1 A 78 78 HIS CB C 417 28.065 30.302 -2.237 1
1 842 . 10 1 1 A 78 78 HIS N N 417 118.878 121.153 -2.275 1
1 843 . 10 1 1 A 79 79 TRP H H 418 8.417 7.891 0.526 1
1 844 . 10 1 1 A 79 79 TRP HA H 418 4.451 4.247 0.204 1
1 853 . 10 1 1 A 79 79 TRP CA C 418 59.862 60.345 -0.483 1
1 854 . 10 1 1 A 79 79 TRP CB C 418 30.369 29.868 0.501 1
1 860 . 10 1 1 A 79 79 TRP N N 418 119.255 121.367 -2.112 1
1 862 . 10 1 1 A 80 80 LYS H H 419 8.412 8.095 0.317 1
1 863 . 10 1 1 A 80 80 LYS HA H 419 3.714 3.957 -0.243 1
1 872 . 10 1 1 A 80 80 LYS CA C 419 58.710 58.348 0.362 1
1 873 . 10 1 1 A 80 80 LYS CB C 419 32.673 32.206 0.467 1
1 877 . 10 1 1 A 80 80 LYS N N 419 115.101 118.170 -3.069 1
1 878 . 10 1 1 A 81 81 ASN H H 420 7.416 7.740 -0.324 1
1 879 . 10 1 1 A 81 81 ASN HA H 420 4.713 4.725 -0.012 1
1 884 . 10 1 1 A 81 81 ASN CA C 420 53.410 53.875 -0.465 1
1 885 . 10 1 1 A 81 81 ASN CB C 420 40.737 41.320 -0.583 1
1 886 . 10 1 1 A 81 81 ASN N N 420 113.968 114.478 -0.510 1
1 888 . 10 1 1 A 82 82 CYS H H 421 7.617 7.681 -0.064 1
1 889 . 10 1 1 A 82 82 CYS HA H 421 3.986 4.236 -0.250 1
1 892 . 10 1 1 A 82 82 CYS CA C 421 61.244 60.233 1.011 1
1 893 . 10 1 1 A 82 82 CYS CB C 421 28.756 28.020 0.736 1
1 894 . 10 1 1 A 82 82 CYS N N 421 124.354 118.364 5.990 1
1 895 . 10 1 1 A 83 83 THR H H 422 8.535 8.708 -0.173 1
1 896 . 10 1 1 A 83 83 THR HA H 422 4.527 4.583 -0.056 1
1 901 . 10 1 1 A 83 83 THR CA C 422 60.553 61.232 -0.679 1
1 902 . 10 1 1 A 83 83 THR CB C 422 69.309 70.803 -1.494 1
1 904 . 10 1 1 A 83 83 THR N N 422 118.500 121.220 -2.720 1
1 905 . 10 1 1 A 84 84 ARG HA H 423 4.448 4.203 0.245 1
1 912 . 10 1 1 A 84 84 ARG CA C 423 56.175 56.598 -0.423 1
1 913 . 10 1 1 A 84 84 ARG CB C 423 31.521 31.170 0.351 1
1 916 . 10 1 1 A 85 85 HIS HA H 424 4.391 4.432 -0.041 1
1 921 . 10 1 1 A 85 85 HIS CA C 424 58.479 58.135 0.344 1
1 922 . 10 1 1 A 85 85 HIS CB C 424 30.138 29.032 1.106 1
1 925 . 10 1 1 A 86 86 ASP H H 425 7.962 7.956 0.006 1
1 926 . 10 1 1 A 86 86 ASP HA H 425 4.525 4.692 -0.167 1
1 929 . 10 1 1 A 86 86 ASP CA C 425 51.567 52.914 -1.347 1
1 930 . 10 1 1 A 86 86 ASP CB C 425 39.585 41.270 -1.685 1
1 931 . 10 1 1 A 86 86 ASP N N 425 116.612 116.421 0.191 1
1 932 . 10 1 1 A 87 87 CYS H H 426 6.974 7.017 -0.043 1
1 933 . 10 1 1 A 87 87 CYS HA H 426 4.247 4.439 -0.192 1
1 936 . 10 1 1 A 87 87 CYS CA C 426 57.558 57.820 -0.262 1
1 937 . 10 1 1 A 87 87 CYS CB C 426 31.291 28.681 2.610 1
1 938 . 10 1 1 A 87 87 CYS N N 426 122.276 120.590 1.686 1
1 939 . 10 1 1 A 88 88 PRO HA H 427 4.445 4.399 0.046 1
1 944 . 10 1 1 A 88 88 PRO CA C 427 64.009 64.491 -0.482 1
1 945 . 10 1 1 A 88 88 PRO CB C 427 32.558 32.168 0.390 1
1 947 . 10 1 1 A 89 89 VAL H H 428 8.460 7.529 0.931 1
1 948 . 10 1 1 A 89 89 VAL HA H 428 3.719 3.871 -0.152 1
1 956 . 10 1 1 A 89 89 VAL CA C 428 65.622 64.740 0.882 1
1 957 . 10 1 1 A 89 89 VAL CB C 428 33.134 31.982 1.152 1
1 960 . 10 1 1 A 89 89 VAL N N 428 119.822 115.600 4.222 1
1 961 . 10 1 1 A 90 90 CYS H H 429 8.729 8.014 0.715 1
1 962 . 10 1 1 A 90 90 CYS HA H 429 4.225 4.269 -0.044 1
1 965 . 10 1 1 A 90 90 CYS CA C 429 63.779 62.624 1.155 1
1 966 . 10 1 1 A 90 90 CYS CB C 429 31.291 26.977 4.314 1
1 967 . 10 1 1 A 90 90 CYS N N 429 118.878 117.801 1.077 1
1 968 . 10 1 1 A 91 91 LEU H H 430 7.907 8.233 -0.326 1
1 969 . 10 1 1 A 91 91 LEU HA H 430 4.214 4.103 0.111 1
1 979 . 10 1 1 A 91 91 LEU CA C 430 60.323 60.258 0.065 1
1 980 . 10 1 1 A 91 91 LEU CB C 430 39.125 40.096 -0.971 1
1 984 . 10 1 1 A 91 91 LEU N N 430 118.878 123.111 -4.233 1
1 985 . 10 1 1 A 92 92 PRO HA H 431 4.460 4.352 0.108 1
1 992 . 10 1 1 A 92 92 PRO CA C 431 65.161 65.727 -0.566 1
1 993 . 10 1 1 A 92 92 PRO CB C 431 31.291 30.779 0.512 1
1 996 . 10 1 1 A 93 93 LEU H H 432 7.459 7.439 0.020 1
1 997 . 10 1 1 A 93 93 LEU HA H 432 4.359 3.862 0.497 1
1 1007 . 10 1 1 A 93 93 LEU CA C 432 55.945 57.428 -1.483 1
1 1008 . 10 1 1 A 93 93 LEU CB C 432 42.350 41.153 1.197 1
1 1012 . 10 1 1 A 93 93 LEU N N 432 115.290 116.708 -1.418 1
1 1013 . 10 1 1 A 94 94 LYS H H 433 7.975 8.672 -0.697 1
1 1014 . 10 1 1 A 94 94 LYS HA H 433 4.390 4.101 0.289 1
1 1022 . 10 1 1 A 94 94 LYS CA C 433 57.558 60.573 -3.015 1
1 1023 . 10 1 1 A 94 94 LYS CB C 433 33.134 32.142 0.992 1
1 1027 . 10 1 1 A 94 94 LYS N N 433 119.255 118.113 1.142 1
1 1028 . 10 1 1 A 95 95 ASN H H 434 8.368 8.320 0.048 1
1 1029 . 10 1 1 A 95 95 ASN HA H 434 4.733 4.505 0.228 1
1 1034 . 10 1 1 A 95 95 ASN CA C 434 53.410 55.968 -2.558 1
1 1035 . 10 1 1 A 95 95 ASN CB C 434 38.894 38.130 0.764 1
1 1036 . 10 1 1 A 95 95 ASN N N 434 117.934 117.823 0.111 1
1 1038 . 10 1 1 A 96 96 ALA H H 435 8.040 8.338 -0.298 1
1 1039 . 10 1 1 A 96 96 ALA HA H 435 4.376 4.153 0.223 1
1 1043 . 10 1 1 A 96 96 ALA CA C 435 52.949 54.187 -1.238 1
1 1044 . 10 1 1 A 96 96 ALA CB C 435 19.310 18.446 0.864 1
1 1045 . 10 1 1 A 96 96 ALA N N 435 123.221 121.059 2.162 1
1 1046 . 10 1 1 A 97 97 SER H H 436 8.138 7.986 0.152 1
1 1047 . 10 1 1 A 97 97 SER HA H 436 4.450 4.750 -0.300 1
1 1050 . 10 1 1 A 97 97 SER CA C 436 58.710 57.221 1.489 1
1 1051 . 10 1 1 A 97 97 SER CB C 436 63.779 64.222 -0.443 1
1 1052 . 10 1 1 A 97 97 SER N N 436 113.591 113.663 -0.072 1
1 1053 . 10 1 1 A 98 98 ASP H H 437 8.214 8.046 0.168 1
1 1054 . 10 1 1 A 98 98 ASP HA H 437 4.662 5.074 -0.412 1
1 1057 . 10 1 1 A 98 98 ASP CA C 437 54.332 54.660 -0.328 1
1 1058 . 10 1 1 A 98 98 ASP CB C 437 41.198 44.232 -3.034 1
1 1059 . 10 1 1 A 98 98 ASP N N 437 121.521 122.801 -1.280 1
1 1060 . 10 1 1 A 99 99 LYS H H 438 8.062 7.824 0.238 1
1 1061 . 10 1 1 A 99 99 LYS HA H 438 4.363 4.074 0.289 1
1 1070 . 10 1 1 A 99 99 LYS CA C 438 55.945 58.453 -2.508 1
1 1071 . 10 1 1 A 99 99 LYS CB C 438 32.720 32.388 0.332 1
1 1075 . 10 1 1 A 99 99 LYS N N 438 121.144 119.306 1.838 1
1 1092 . 10 2 2 B 2 2 SER HA H 783 4.524 4.345 0.179 1
1 1095 . 10 2 2 B 2 2 SER CA C 783 58.053 60.451 -2.398 1
1 1096 . 10 2 2 B 2 2 SER CB C 783 64.502 63.410 1.092 1
1 1097 . 10 2 2 B 3 3 HIS HA H 784 4.721 4.730 -0.009 1
1 1102 . 10 2 2 B 3 3 HIS CA C 784 55.750 56.322 -0.572 1
1 1103 . 10 2 2 B 3 3 HIS CB C 784 30.167 32.347 -2.180 1
1 1106 . 10 2 2 B 4 4 MET HA H 785 4.495 4.313 0.182 1
1 1114 . 10 2 2 B 4 4 MET CA C 785 55.058 54.280 0.778 1
1 1115 . 10 2 2 B 4 4 MET CB C 785 32.727 30.608 2.119 1
1 1118 . 10 2 2 B 5 5 VAL H H 786 8.163 7.516 0.647 1
1 1119 . 10 2 2 B 5 5 VAL HA H 786 4.464 4.398 0.066 1
1 1127 . 10 2 2 B 5 5 VAL CA C 786 59.478 61.101 -1.623 1
1 1128 . 10 2 2 B 5 5 VAL CB C 786 32.606 31.656 0.950 1
1 1131 . 10 2 2 B 5 5 VAL N N 786 122.854 117.671 5.183 1
1 1132 . 10 2 2 B 6 6 PRO HA H 787 4.437 4.641 -0.204 1
1 1137 . 10 2 2 B 6 6 PRO CA C 787 62.667 62.267 0.400 1
1 1138 . 10 2 2 B 6 6 PRO CB C 787 32.010 33.130 -1.120 1
1 1140 . 10 2 2 B 7 7 GLU H H 788 8.306 8.486 -0.180 1
1 1141 . 10 2 2 B 7 7 GLU HA H 788 4.654 4.855 -0.201 1
1 1146 . 10 2 2 B 7 7 GLU CA C 788 53.568 53.549 0.019 1
1 1147 . 10 2 2 B 7 7 GLU CB C 788 30.011 29.745 0.266 1
1 1149 . 10 2 2 B 7 7 GLU N N 788 123.231 117.213 6.018 1
1 1150 . 10 2 2 B 8 8 PRO HA H 789 4.490 4.499 -0.009 1
1 1157 . 10 2 2 B 8 8 PRO CA C 789 62.253 62.686 -0.433 1
1 1158 . 10 2 2 B 8 8 PRO CB C 789 32.483 32.303 0.180 1
1 1161 . 10 2 2 B 9 9 ASP H H 790 8.272 8.466 -0.194 1
1 1162 . 10 2 2 B 9 9 ASP HA H 790 4.456 4.547 -0.091 1
1 1165 . 10 2 2 B 9 9 ASP CA C 790 54.137 54.195 -0.058 1
1 1166 . 10 2 2 B 9 9 ASP CB C 790 41.016 40.615 0.401 1
1 1167 . 10 2 2 B 9 9 ASP N N 790 118.511 120.110 -1.599 1
1 1168 . 10 2 2 B 10 10 LEU H H 791 8.463 8.234 0.229 1
1 1169 . 10 2 2 B 10 10 LEU HA H 791 4.356 4.272 0.084 1
1 1179 . 10 2 2 B 10 10 LEU CA C 791 52.531 53.267 -0.736 1
1 1180 . 10 2 2 B 10 10 LEU CB C 791 42.609 43.034 -0.425 1
1 1184 . 10 2 2 B 10 10 LEU N N 791 121.343 126.650 -5.307 1
1 1185 . 10 2 2 B 11 11 PRO HA H 792 4.553 4.359 0.194 1
1 1192 . 10 2 2 B 11 11 PRO CA C 792 62.788 63.250 -0.462 1
1 1193 . 10 2 2 B 11 11 PRO CB C 792 32.716 32.112 0.604 1
1 1196 . 10 2 2 B 12 12 HIS HA H 793 3.989 4.160 -0.171 1
1 1201 . 10 2 2 B 12 12 HIS CA C 793 60.326 59.439 0.887 1
1 1202 . 10 2 2 B 12 12 HIS CB C 793 30.803 29.665 1.138 1
1 1205 . 10 2 2 B 13 13 ASP H H 794 8.938 8.858 0.080 1
1 1206 . 10 2 2 B 13 13 ASP HA H 794 4.460 4.345 0.115 1
1 1209 . 10 2 2 B 13 13 ASP CA C 794 54.581 56.753 -2.172 1
1 1210 . 10 2 2 B 13 13 ASP CB C 794 38.061 39.555 -1.494 1
1 1211 . 10 2 2 B 13 13 ASP N N 794 114.734 118.382 -3.648 1
1 1212 . 10 2 2 B 14 14 LEU H H 795 7.674 7.766 -0.092 1
1 1213 . 10 2 2 B 14 14 LEU HA H 795 4.546 4.258 0.288 1
1 1223 . 10 2 2 B 14 14 LEU CA C 795 53.478 56.301 -2.823 1
1 1224 . 10 2 2 B 14 14 LEU CB C 795 43.597 42.053 1.544 1
1 1228 . 10 2 2 B 14 14 LEU N N 795 116.056 119.822 -3.766 1
1 1229 . 10 2 2 B 15 15 ARG H H 796 7.225 8.309 -1.084 1
1 1230 . 10 2 2 B 15 15 ARG HA H 796 3.809 3.879 -0.070 1
1 1237 . 10 2 2 B 15 15 ARG CA C 796 58.744 59.748 -1.004 1
1 1238 . 10 2 2 B 15 15 ARG CB C 796 30.413 29.917 0.496 1
1 1241 . 10 2 2 B 15 15 ARG N N 796 116.434 119.157 -2.723 1
1 1242 . 10 2 2 B 16 16 HIS HA H 797 4.703 4.525 0.178 1
1 1247 . 10 2 2 B 16 16 HIS CA C 797 55.289 58.376 -3.087 1
1 1248 . 10 2 2 B 16 16 HIS CB C 797 29.538 29.965 -0.427 1
1 1251 . 10 2 2 B 17 17 LEU H H 798 6.982 7.355 -0.373 1
1 1252 . 10 2 2 B 17 17 LEU HA H 798 4.071 4.108 -0.037 1
1 1262 . 10 2 2 B 17 17 LEU CA C 798 54.807 55.386 -0.579 1
1 1263 . 10 2 2 B 17 17 LEU CB C 798 42.206 42.325 -0.119 1
1 1267 . 10 2 2 B 17 17 LEU N N 798 120.399 120.304 0.095 1
1 1268 . 10 2 2 B 18 18 ASN H H 799 8.789 8.634 0.155 1
1 1269 . 10 2 2 B 18 18 ASN HA H 799 4.857 4.837 0.020 1
1 1274 . 10 2 2 B 18 18 ASN CA C 799 52.166 52.710 -0.544 1
1 1275 . 10 2 2 B 18 18 ASN CB C 799 37.842 38.256 -0.414 1
1 1276 . 10 2 2 B 18 18 ASN N N 799 121.343 123.027 -1.684 1
1 1278 . 10 2 2 B 19 19 THR H H 800 8.585 8.558 0.027 1
1 1279 . 10 2 2 B 19 19 THR HA H 800 4.522 4.351 0.171 1
1 1284 . 10 2 2 B 19 19 THR CA C 800 62.143 63.588 -1.445 1
1 1285 . 10 2 2 B 19 19 THR CB C 800 68.865 68.989 -0.124 1
1 1287 . 10 2 2 B 19 19 THR N N 800 115.301 118.162 -2.861 1
1 1288 . 10 2 2 B 20 20 GLU H H 801 8.415 8.221 0.194 1
1 1289 . 10 2 2 B 20 20 GLU HA H 801 4.337 4.105 0.232 1
1 1294 . 10 2 2 B 20 20 GLU CA C 801 61.496 62.362 -0.866 1
1 1295 . 10 2 2 B 20 20 GLU CB C 801 26.493 28.046 -1.553 1
1 1297 . 10 2 2 B 20 20 GLU N N 801 125.119 123.000 2.119 1
1 1298 . 10 2 2 B 21 21 PRO HA H 802 4.422 4.313 0.109 1
1 1305 . 10 2 2 B 21 21 PRO CA C 802 64.520 65.076 -0.556 1
1 1306 . 10 2 2 B 21 21 PRO CB C 802 31.355 30.903 0.452 1
1 1309 . 10 2 2 B 22 22 MET H H 803 7.303 7.646 -0.343 1
1 1310 . 10 2 2 B 22 22 MET HA H 803 4.062 3.971 0.091 1
1 1318 . 10 2 2 B 22 22 MET CA C 803 55.686 57.709 -2.023 1
1 1319 . 10 2 2 B 22 22 MET CB C 803 33.481 31.910 1.571 1
1 1322 . 10 2 2 B 22 22 MET N N 803 110.769 116.181 -5.412 1
1 1323 . 10 2 2 B 23 23 GLU H H 804 7.624 7.722 -0.098 1
1 1324 . 10 2 2 B 23 23 GLU HA H 804 3.918 3.989 -0.071 1
1 1329 . 10 2 2 B 23 23 GLU CA C 804 59.221 59.129 0.092 1
1 1330 . 10 2 2 B 23 23 GLU CB C 804 28.993 29.355 -0.362 1
1 1332 . 10 2 2 B 23 23 GLU N N 804 118.699 118.274 0.425 1
1 1333 . 10 2 2 B 24 24 ILE H H 805 6.626 6.677 -0.051 1
1 1334 . 10 2 2 B 24 24 ILE HA H 805 3.999 3.763 0.236 1
1 1344 . 10 2 2 B 24 24 ILE CA C 805 62.734 63.841 -1.107 1
1 1345 . 10 2 2 B 24 24 ILE CB C 805 37.574 36.839 0.735 1
1 1349 . 10 2 2 B 24 24 ILE N N 805 111.524 116.031 -4.507 1
1 1350 . 10 2 2 B 25 25 PHE H H 806 7.515 7.518 -0.003 1
1 1351 . 10 2 2 B 25 25 PHE HA H 806 4.524 4.384 0.140 1
1 1358 . 10 2 2 B 25 25 PHE CA C 806 55.760 61.681 -5.921 1
1 1359 . 10 2 2 B 25 25 PHE CB C 806 38.464 38.494 -0.030 1
1 1362 . 10 2 2 B 25 25 PHE N N 806 118.322 120.985 -2.663 1
1 1363 . 10 2 2 B 26 26 ARG H H 807 7.368 8.058 -0.690 1
1 1364 . 10 2 2 B 26 26 ARG HA H 807 4.024 4.128 -0.104 1
1 1371 . 10 2 2 B 26 26 ARG CA C 807 58.864 58.987 -0.123 1
1 1372 . 10 2 2 B 26 26 ARG CB C 807 30.872 29.965 0.907 1
1 1375 . 10 2 2 B 26 26 ARG N N 807 118.888 121.682 -2.794 1
1 1376 . 10 2 2 B 27 27 ASN H H 808 8.877 8.131 0.746 1
1 1377 . 10 2 2 B 27 27 ASN HA H 808 4.732 4.997 -0.265 1
1 1382 . 10 2 2 B 27 27 ASN CA C 808 53.413 52.230 1.183 1
1 1383 . 10 2 2 B 27 27 ASN CB C 808 38.244 39.115 -0.871 1
1 1384 . 10 2 2 B 27 27 ASN N N 808 117.000 113.659 3.341 1
1 1386 . 10 2 2 B 28 28 SER H H 809 7.969 7.987 -0.018 1
1 1387 . 10 2 2 B 28 28 SER HA H 809 4.440 4.727 -0.287 1
1 1390 . 10 2 2 B 28 28 SER CA C 809 60.606 57.912 2.694 1
1 1391 . 10 2 2 B 28 28 SER CB C 809 64.021 64.423 -0.402 1
1 1392 . 10 2 2 B 28 28 SER N N 809 114.356 115.132 -0.776 1
1 1393 . 10 2 2 B 29 29 VAL HA H 810 4.304 4.775 -0.471 1
1 1401 . 10 2 2 B 29 29 VAL CA C 810 60.803 60.340 0.463 1
1 1402 . 10 2 2 B 29 29 VAL CB C 810 34.232 36.773 -2.541 1
1 1405 . 10 2 2 B 30 30 LYS H H 811 8.707 8.506 0.201 1
1 1406 . 10 2 2 B 30 30 LYS HA H 811 4.552 4.730 -0.178 1
1 1415 . 10 2 2 B 30 30 LYS CA C 811 55.058 54.840 0.218 1
1 1416 . 10 2 2 B 30 30 LYS CB C 811 31.782 32.829 -1.047 1
1 1420 . 10 2 2 B 30 30 LYS N N 811 127.196 124.226 2.970 1
1 1421 . 10 2 2 B 31 31 ILE H H 812 8.604 8.312 0.292 1
1 1422 . 10 2 2 B 31 31 ILE HA H 812 3.662 3.696 -0.034 1
1 1432 . 10 2 2 B 31 31 ILE CA C 812 64.066 65.003 -0.937 1
1 1433 . 10 2 2 B 31 31 ILE CB C 812 37.726 37.727 -0.001 1
1 1437 . 10 2 2 B 31 31 ILE N N 812 125.497 124.718 0.779 1
1 1438 . 10 2 2 B 32 32 GLU H H 813 9.330 8.341 0.989 1
1 1439 . 10 2 2 B 32 32 GLU HA H 813 4.162 4.189 -0.027 1
1 1444 . 10 2 2 B 32 32 GLU CA C 813 58.096 58.492 -0.396 1
1 1445 . 10 2 2 B 32 32 GLU CB C 813 28.834 30.078 -1.244 1
1 1447 . 10 2 2 B 32 32 GLU N N 813 118.888 118.312 0.576 1
1 1448 . 10 2 2 B 33 33 GLU H H 814 7.742 7.867 -0.125 1
1 1449 . 10 2 2 B 33 33 GLU HA H 814 4.334 4.321 0.013 1
1 1454 . 10 2 2 B 33 33 GLU CA C 814 56.441 58.128 -1.687 1
1 1455 . 10 2 2 B 33 33 GLU CB C 814 30.396 30.143 0.253 1
1 1457 . 10 2 2 B 33 33 GLU N N 814 117.566 118.003 -0.437 1
1 1458 . 10 2 2 B 34 34 ILE H H 815 7.598 7.600 -0.002 1
1 1459 . 10 2 2 B 34 34 ILE HA H 815 4.216 3.724 0.492 1
1 1469 . 10 2 2 B 34 34 ILE CA C 815 61.047 65.006 -3.959 1
1 1470 . 10 2 2 B 34 34 ILE CB C 815 38.712 37.941 0.771 1
1 1474 . 10 2 2 B 34 34 ILE N N 815 117.566 118.477 -0.911 1
1 1475 . 10 2 2 B 35 35 MET H H 816 8.177 7.504 0.673 1
1 1476 . 10 2 2 B 35 35 MET HA H 816 4.733 4.481 0.252 1
1 1484 . 10 2 2 B 35 35 MET CA C 816 53.461 53.864 -0.403 1
1 1485 . 10 2 2 B 35 35 MET CB C 816 32.025 33.751 -1.726 1
1 1488 . 10 2 2 B 35 35 MET N N 816 122.665 120.941 1.724 1
1 1489 . 10 2 2 B 36 36 PRO HA H 817 4.743 4.419 0.324 1
1 1496 . 10 2 2 B 36 36 PRO CA C 817 62.542 63.957 -1.415 1
1 1497 . 10 2 2 B 36 36 PRO CB C 817 34.328 31.831 2.497 1
1 1500 . 10 2 2 B 37 37 ASN H H 818 8.374 8.015 0.359 1
1 1501 . 10 2 2 B 37 37 ASN HA H 818 4.752 4.394 0.358 1
1 1504 . 10 2 2 B 37 37 ASN CA C 818 52.995 53.941 -0.946 1
1 1505 . 10 2 2 B 37 37 ASN CB C 818 38.705 37.063 1.642 1
1 1506 . 10 2 2 B 37 37 ASN N N 818 117.378 117.160 0.218 1
1 1507 . 10 2 2 B 38 38 GLY H H 819 8.314 8.235 0.079 1
1 1508 . 10 2 2 B 38 38 GLY HA2 H 819 3.937 4.131 -0.194 1
1 1509 . 10 2 2 B 38 38 GLY HA3 H 819 3.994 4.131 -0.137 1
1 1510 . 10 2 2 B 38 38 GLY CA C 819 45.006 45.615 -0.609 1
1 1511 . 10 2 2 B 38 38 GLY N N 819 108.881 110.404 -1.523 1
1 1512 . 10 2 2 B 39 39 ASP H H 820 8.157 7.825 0.332 1
1 1513 . 10 2 2 B 39 39 ASP HA H 820 4.939 5.028 -0.089 1
1 1516 . 10 2 2 B 39 39 ASP CA C 820 51.896 50.879 1.017 1
1 1517 . 10 2 2 B 39 39 ASP CB C 820 41.672 43.910 -2.238 1
1 1518 . 10 2 2 B 39 39 ASP N N 820 121.154 119.245 1.909 1
1 1519 . 10 2 2 B 40 40 PRO HA H 821 4.483 4.404 0.079 1
1 1526 . 10 2 2 B 40 40 PRO CA C 821 63.351 64.509 -1.158 1
1 1527 . 10 2 2 B 40 40 PRO CB C 821 32.066 32.085 -0.019 1
1 1530 . 10 2 2 B 41 41 LEU H H 822 8.440 7.579 0.861 1
1 1531 . 10 2 2 B 41 41 LEU HA H 822 4.262 4.084 0.178 1
1 1541 . 10 2 2 B 41 41 LEU CA C 822 55.539 57.134 -1.595 1
1 1542 . 10 2 2 B 41 41 LEU CB C 822 41.496 41.067 0.429 1
1 1546 . 10 2 2 B 41 41 LEU N N 822 119.644 118.930 0.714 1
1 1547 . 10 2 2 B 42 42 LEU H H 823 7.863 7.919 -0.056 1
1 1548 . 10 2 2 B 42 42 LEU HA H 823 4.353 4.034 0.319 1
1 1558 . 10 2 2 B 42 42 LEU CA C 823 54.598 57.498 -2.900 1
1 1559 . 10 2 2 B 42 42 LEU CB C 823 42.025 41.779 0.246 1
1 1563 . 10 2 2 B 42 42 LEU N N 823 120.399 120.423 -0.024 1
1 1564 . 10 2 2 B 43 43 ALA H H 824 8.022 8.230 -0.208 1
1 1565 . 10 2 2 B 43 43 ALA HA H 824 4.330 4.072 0.258 1
1 1569 . 10 2 2 B 43 43 ALA CA C 824 52.539 55.348 -2.809 1
1 1570 . 10 2 2 B 43 43 ALA CB C 824 19.126 18.396 0.730 1
1 1571 . 10 2 2 B 43 43 ALA N N 824 123.420 121.657 1.763 1
1 1572 . 10 2 2 B 44 44 GLY H H 825 8.346 8.149 0.197 1
1 1573 . 10 2 2 B 44 44 GLY HA2 H 825 3.973 3.872 0.101 1
1 1574 . 10 2 2 B 44 44 GLY HA3 H 825 3.973 3.873 0.100 1
1 1575 . 10 2 2 B 44 44 GLY CA C 825 45.123 47.180 -2.057 1
1 1576 . 10 2 2 B 44 44 GLY N N 825 107.559 105.685 1.874 1
1 1577 . 10 2 2 B 45 45 GLN H H 826 8.204 7.469 0.735 1
1 1578 . 10 2 2 B 45 45 GLN HA H 826 4.377 4.497 -0.120 1
1 1585 . 10 2 2 B 45 45 GLN CA C 826 55.686 55.751 -0.065 1
1 1586 . 10 2 2 B 45 45 GLN CB C 826 29.376 30.225 -0.849 1
1 1588 . 10 2 2 B 45 45 GLN N N 826 119.266 118.113 1.153 1
1 1590 . 10 2 2 B 46 46 ASN H H 827 8.556 8.018 0.538 1
1 1591 . 10 2 2 B 46 46 ASN HA H 827 4.824 4.579 0.245 1
1 1596 . 10 2 2 B 46 46 ASN CA C 827 53.216 54.788 -1.572 1
1 1597 . 10 2 2 B 46 46 ASN CB C 827 38.759 38.670 0.089 1
1 1598 . 10 2 2 B 46 46 ASN N N 827 119.266 117.773 1.493 1
1 1600 . 10 2 2 B 47 47 THR H H 828 8.127 7.458 0.669 1
1 1601 . 10 2 2 B 47 47 THR HA H 828 4.414 4.537 -0.123 1
1 1606 . 10 2 2 B 47 47 THR CA C 828 61.564 59.632 1.932 1
1 1607 . 10 2 2 B 47 47 THR CB C 828 69.507 71.219 -1.712 1
1 1609 . 10 2 2 B 47 47 THR N N 828 113.790 112.036 1.754 1
1 1610 . 10 2 2 B 48 48 VAL H H 829 8.140 8.301 -0.161 1
1 1611 . 10 2 2 B 48 48 VAL HA H 829 4.091 3.530 0.561 1
1 1619 . 10 2 2 B 48 48 VAL CA C 829 62.146 63.367 -1.221 1
1 1620 . 10 2 2 B 48 48 VAL CB C 829 32.515 31.388 1.127 1
1 1623 . 10 2 2 B 48 48 VAL N N 829 120.776 123.428 -2.652 1
1 1624 . 10 2 2 B 49 49 ASP H H 830 8.287 8.680 -0.393 1
1 1625 . 10 2 2 B 49 49 ASP HA H 830 4.617 4.826 -0.209 1
1 1628 . 10 2 2 B 49 49 ASP CA C 830 54.308 53.120 1.188 1
1 1629 . 10 2 2 B 49 49 ASP CB C 830 41.241 42.661 -1.420 1
1 1630 . 10 2 2 B 49 49 ASP N N 830 123.042 128.572 -5.530 1
1 1631 . 10 2 2 B 50 50 GLU H H 831 8.242 9.112 -0.870 1
1 1632 . 10 2 2 B 50 50 GLU HA H 831 4.261 3.949 0.312 1
1 1637 . 10 2 2 B 50 50 GLU CA C 831 56.521 59.828 -3.307 1
1 1638 . 10 2 2 B 50 50 GLU CB C 831 30.209 29.383 0.826 1
1 1640 . 10 2 2 B 50 50 GLU N N 831 120.776 125.215 -4.439 1
1 1641 . 10 2 2 B 51 51 VAL H H 832 8.044 7.765 0.279 1
1 1642 . 10 2 2 B 51 51 VAL HA H 832 3.988 4.110 -0.122 1
1 1650 . 10 2 2 B 51 51 VAL CA C 832 62.472 63.725 -1.253 1
1 1651 . 10 2 2 B 51 51 VAL CB C 832 32.278 31.732 0.546 1
1 1654 . 10 2 2 B 51 51 VAL N N 832 120.021 117.121 2.900 1
1 1655 . 10 2 2 B 52 52 TYR H H 833 8.148 8.437 -0.289 1
1 1656 . 10 2 2 B 52 52 TYR HA H 833 4.598 4.528 0.070 1
1 1663 . 10 2 2 B 52 52 TYR CA C 833 57.743 60.595 -2.852 1
1 1664 . 10 2 2 B 52 52 TYR CB C 833 38.702 39.847 -1.145 1
1 1667 . 10 2 2 B 52 52 TYR N N 833 122.854 122.008 0.846 1
1 1668 . 10 2 2 B 53 53 VAL H H 834 7.868 7.643 0.225 1
1 1669 . 10 2 2 B 53 53 VAL HA H 834 4.114 4.285 -0.171 1
1 1677 . 10 2 2 B 53 53 VAL CA C 834 61.508 60.963 0.545 1
1 1678 . 10 2 2 B 53 53 VAL CB C 834 33.010 31.159 1.851 1
1 1681 . 10 2 2 B 53 53 VAL N N 834 121.721 112.140 9.581 1
1 1682 . 10 2 2 B 54 54 SER H H 835 8.237 7.754 0.483 1
1 1683 . 10 2 2 B 54 54 SER HA H 835 4.422 4.388 0.034 1
1 1686 . 10 2 2 B 54 54 SER CA C 835 57.823 59.403 -1.580 1
1 1687 . 10 2 2 B 54 54 SER CB C 835 63.437 63.807 -0.370 1
1 1688 . 10 2 2 B 54 54 SER N N 835 119.077 119.785 -0.708 1
1 1689 . 10 2 2 B 55 55 ARG H H 836 8.284 8.808 -0.524 1
1 1690 . 10 2 2 B 55 55 ARG HA H 836 4.701 4.868 -0.167 1
1 1697 . 10 2 2 B 55 55 ARG CA C 836 53.601 53.807 -0.206 1
1 1698 . 10 2 2 B 55 55 ARG CB C 836 30.394 33.529 -3.135 1
1 1701 . 10 2 2 B 55 55 ARG N N 836 123.798 121.020 2.778 1
1 1702 . 10 2 2 B 56 56 PRO HA H 837 4.485 4.799 -0.314 1
1 1709 . 10 2 2 B 56 56 PRO CA C 837 63.351 62.910 0.441 1
1 1710 . 10 2 2 B 56 56 PRO CB C 837 31.795 33.543 -1.748 1
1 7 . 11 1 1 A 2 2 THR HA H 341 4.462 4.671 -0.209 1
1 12 . 11 1 1 A 2 2 THR CA C 341 61.936 62.608 -0.672 1
1 13 . 11 1 1 A 2 2 THR CB C 341 69.770 72.245 -2.475 1
1 15 . 11 1 1 A 3 3 GLY HA2 H 342 4.141 4.333 -0.192 1
1 16 . 11 1 1 A 3 3 GLY HA3 H 342 4.238 4.333 -0.095 1
1 17 . 11 1 1 A 3 3 GLY CA C 342 44.424 45.724 -1.300 1
1 18 . 11 1 1 A 4 4 PRO HA H 343 4.567 4.427 0.140 1
1 25 . 11 1 1 A 4 4 PRO CA C 343 63.088 64.516 -1.428 1
1 26 . 11 1 1 A 4 4 PRO CB C 343 32.443 31.926 0.517 1
1 29 . 11 1 1 A 5 5 THR H H 344 8.284 7.746 0.538 1
1 30 . 11 1 1 A 5 5 THR HA H 344 4.342 4.277 0.065 1
1 35 . 11 1 1 A 5 5 THR CA C 344 61.936 62.867 -0.931 1
1 36 . 11 1 1 A 5 5 THR CB C 344 69.539 68.885 0.654 1
1 38 . 11 1 1 A 5 5 THR N N 344 113.968 107.853 6.115 1
1 39 . 11 1 1 A 6 6 ALA H H 345 8.269 7.263 1.006 1
1 40 . 11 1 1 A 6 6 ALA HA H 345 4.434 4.272 0.162 1
1 44 . 11 1 1 A 6 6 ALA CA C 345 52.028 52.756 -0.728 1
1 45 . 11 1 1 A 6 6 ALA CB C 345 19.771 19.568 0.203 1
1 46 . 11 1 1 A 6 6 ALA N N 345 126.619 126.033 0.586 1
1 47 . 11 1 1 A 7 7 ASP H H 346 8.454 8.584 -0.130 1
1 48 . 11 1 1 A 7 7 ASP HA H 346 4.917 4.972 -0.055 1
1 51 . 11 1 1 A 7 7 ASP CA C 346 52.719 51.371 1.348 1
1 52 . 11 1 1 A 7 7 ASP CB C 346 41.659 42.035 -0.376 1
1 53 . 11 1 1 A 7 7 ASP N N 346 120.766 121.957 -1.191 1
1 54 . 11 1 1 A 8 8 PRO HA H 347 4.398 4.270 0.128 1
1 61 . 11 1 1 A 8 8 PRO CA C 347 64.931 65.243 -0.312 1
1 62 . 11 1 1 A 8 8 PRO CB C 347 32.388 31.716 0.672 1
1 65 . 11 1 1 A 9 9 GLU H H 348 8.113 7.990 0.123 1
1 66 . 11 1 1 A 9 9 GLU HA H 348 4.154 4.121 0.033 1
1 71 . 11 1 1 A 9 9 GLU CB C 348 30.138 29.325 0.813 1
1 73 . 11 1 1 A 9 9 GLU N N 348 116.423 118.098 -1.675 1
1 74 . 11 1 1 A 10 10 LYS H H 349 7.699 8.216 -0.517 1
1 75 . 11 1 1 A 10 10 LYS HA H 349 3.982 3.975 0.007 1
1 84 . 11 1 1 A 10 10 LYS CA C 349 60.092 59.579 0.513 1
1 85 . 11 1 1 A 10 10 LYS CB C 349 32.558 32.542 0.016 1
1 89 . 11 1 1 A 10 10 LYS N N 349 119.255 119.959 -0.704 1
1 90 . 11 1 1 A 11 11 ARG H H 350 7.845 8.067 -0.222 1
1 91 . 11 1 1 A 11 11 ARG HA H 350 3.656 3.944 -0.288 1
1 98 . 11 1 1 A 11 11 ARG CA C 350 60.092 59.309 0.783 1
1 99 . 11 1 1 A 11 11 ARG CB C 350 28.295 29.915 -1.620 1
1 102 . 11 1 1 A 11 11 ARG N N 350 117.178 119.395 -2.217 1
1 103 . 11 1 1 A 12 12 LYS H H 351 7.888 7.695 0.193 1
1 104 . 11 1 1 A 12 12 LYS HA H 351 4.198 4.178 0.020 1
1 109 . 11 1 1 A 12 12 LYS CA C 351 59.631 59.052 0.579 1
1 110 . 11 1 1 A 12 12 LYS CB C 351 32.673 32.181 0.492 1
1 112 . 11 1 1 A 12 12 LYS N N 351 117.745 118.358 -0.613 1
1 113 . 11 1 1 A 13 13 LEU H H 352 7.696 7.895 -0.199 1
1 114 . 11 1 1 A 13 13 LEU HA H 352 4.259 4.013 0.246 1
1 124 . 11 1 1 A 13 13 LEU CA C 352 58.019 57.766 0.253 1
1 125 . 11 1 1 A 13 13 LEU CB C 352 42.120 41.845 0.275 1
1 129 . 11 1 1 A 13 13 LEU N N 352 119.444 119.803 -0.359 1
1 130 . 11 1 1 A 14 14 ILE H H 353 7.831 7.763 0.068 1
1 131 . 11 1 1 A 14 14 ILE HA H 353 3.648 3.793 -0.145 1
1 141 . 11 1 1 A 14 14 ILE CA C 353 65.392 64.301 1.091 1
1 142 . 11 1 1 A 14 14 ILE CB C 353 38.203 37.430 0.773 1
1 146 . 11 1 1 A 14 14 ILE N N 353 118.311 115.366 2.945 1
1 147 . 11 1 1 A 15 15 GLN H H 354 8.178 8.404 -0.226 1
1 148 . 11 1 1 A 15 15 GLN HA H 354 3.791 3.871 -0.080 1
1 155 . 11 1 1 A 15 15 GLN CA C 354 59.631 59.156 0.475 1
1 156 . 11 1 1 A 15 15 GLN CB C 354 30.369 28.151 2.218 1
1 158 . 11 1 1 A 15 15 GLN N N 354 116.423 120.880 -4.457 1
1 160 . 11 1 1 A 16 16 GLN H H 355 8.192 7.872 0.320 1
1 161 . 11 1 1 A 16 16 GLN HA H 355 3.799 4.088 -0.289 1
1 168 . 11 1 1 A 16 16 GLN CA C 355 59.171 58.978 0.193 1
1 169 . 11 1 1 A 16 16 GLN CB C 355 28.986 28.260 0.726 1
1 171 . 11 1 1 A 16 16 GLN N N 355 117.178 118.249 -1.071 1
1 173 . 11 1 1 A 17 17 GLN H H 356 7.970 7.908 0.062 1
1 174 . 11 1 1 A 17 17 GLN HA H 356 3.136 4.004 -0.868 1
1 181 . 11 1 1 A 17 17 GLN CA C 356 60.323 58.620 1.703 1
1 182 . 11 1 1 A 17 17 GLN CB C 356 27.143 28.128 -0.985 1
1 184 . 11 1 1 A 17 17 GLN N N 356 118.311 119.733 -1.422 1
1 186 . 11 1 1 A 18 18 LEU H H 357 8.408 7.917 0.491 1
1 187 . 11 1 1 A 18 18 LEU HA H 357 3.863 3.998 -0.135 1
1 197 . 11 1 1 A 18 18 LEU CA C 357 58.710 58.414 0.296 1
1 198 . 11 1 1 A 18 18 LEU CB C 357 40.968 41.904 -0.936 1
1 202 . 11 1 1 A 18 18 LEU N N 357 117.934 121.204 -3.270 1
1 203 . 11 1 1 A 19 19 VAL H H 358 8.544 7.871 0.673 1
1 204 . 11 1 1 A 19 19 VAL HA H 358 3.479 3.460 0.019 1
1 212 . 11 1 1 A 19 19 VAL CA C 358 66.544 66.976 -0.432 1
1 213 . 11 1 1 A 19 19 VAL CB C 358 31.060 31.215 -0.155 1
1 216 . 11 1 1 A 19 19 VAL N N 358 116.423 119.168 -2.745 1
1 217 . 11 1 1 A 20 20 LEU H H 359 7.820 7.984 -0.164 1
1 218 . 11 1 1 A 20 20 LEU HA H 359 3.952 3.966 -0.014 1
1 228 . 11 1 1 A 20 20 LEU CA C 359 58.019 57.996 0.023 1
1 229 . 11 1 1 A 20 20 LEU CB C 359 42.696 41.342 1.354 1
1 233 . 11 1 1 A 20 20 LEU N N 359 120.955 120.089 0.866 1
1 234 . 11 1 1 A 21 21 LEU H H 360 8.278 7.750 0.528 1
1 235 . 11 1 1 A 21 21 LEU HA H 360 3.868 4.124 -0.256 1
1 245 . 11 1 1 A 21 21 LEU CA C 360 58.710 57.811 0.899 1
1 246 . 11 1 1 A 21 21 LEU CB C 360 42.811 41.503 1.308 1
1 250 . 11 1 1 A 21 21 LEU N N 360 121.144 119.591 1.553 1
1 251 . 11 1 1 A 22 22 LEU H H 361 8.331 8.123 0.208 1
1 252 . 11 1 1 A 22 22 LEU HA H 361 3.919 3.959 -0.040 1
1 262 . 11 1 1 A 22 22 LEU CA C 361 57.788 58.017 -0.229 1
1 263 . 11 1 1 A 22 22 LEU CB C 361 41.083 41.536 -0.453 1
1 267 . 11 1 1 A 22 22 LEU N N 361 118.500 118.224 0.276 1
1 268 . 11 1 1 A 23 23 HIS H H 362 8.620 8.305 0.315 1
1 269 . 11 1 1 A 23 23 HIS HA H 362 4.114 4.275 -0.161 1
1 274 . 11 1 1 A 23 23 HIS CA C 362 60.323 59.662 0.661 1
1 275 . 11 1 1 A 23 23 HIS CB C 362 27.834 29.916 -2.082 1
1 278 . 11 1 1 A 23 23 HIS N N 362 117.934 117.752 0.182 1
1 279 . 11 1 1 A 24 24 ALA H H 363 9.049 8.462 0.587 1
1 280 . 11 1 1 A 24 24 ALA HA H 363 3.954 3.994 -0.040 1
1 284 . 11 1 1 A 24 24 ALA CA C 363 55.253 55.119 0.134 1
1 285 . 11 1 1 A 24 24 ALA CB C 363 19.079 18.034 1.045 1
1 286 . 11 1 1 A 24 24 ALA N N 363 121.710 120.607 1.103 1
1 287 . 11 1 1 A 25 25 HIS H H 364 7.955 7.909 0.046 1
1 288 . 11 1 1 A 25 25 HIS HA H 364 4.130 4.213 -0.083 1
1 293 . 11 1 1 A 25 25 HIS CA C 364 60.092 59.574 0.518 1
1 294 . 11 1 1 A 25 25 HIS CB C 364 31.060 30.041 1.019 1
1 297 . 11 1 1 A 25 25 HIS N N 364 115.856 118.123 -2.267 1
1 298 . 11 1 1 A 26 26 LYS H H 365 7.053 8.253 -1.200 1
1 299 . 11 1 1 A 26 26 LYS HA H 365 4.014 3.795 0.219 1
1 302 . 11 1 1 A 26 26 LYS CA C 365 57.788 58.895 -1.107 1
1 303 . 11 1 1 A 26 26 LYS CB C 365 32.903 31.828 1.075 1
1 304 . 11 1 1 A 26 26 LYS N N 365 117.178 117.662 -0.484 1
1 305 . 11 1 1 A 27 27 CYS H H 366 8.592 8.005 0.587 1
1 306 . 11 1 1 A 27 27 CYS HA H 366 3.741 3.939 -0.198 1
1 309 . 11 1 1 A 27 27 CYS CA C 366 62.396 62.151 0.245 1
1 310 . 11 1 1 A 27 27 CYS CB C 366 29.678 26.761 2.917 1
1 311 . 11 1 1 A 27 27 CYS N N 366 123.976 118.392 5.584 1
1 312 . 11 1 1 A 28 28 GLN H H 367 8.349 8.187 0.162 1
1 313 . 11 1 1 A 28 28 GLN HA H 367 4.283 3.957 0.326 1
1 320 . 11 1 1 A 28 28 GLN CA C 367 57.327 58.960 -1.633 1
1 321 . 11 1 1 A 28 28 GLN CB C 367 29.217 28.155 1.062 1
1 323 . 11 1 1 A 28 28 GLN N N 367 119.444 119.589 -0.145 1
1 325 . 11 1 1 A 29 29 ARG H H 368 7.635 7.417 0.218 1
1 326 . 11 1 1 A 29 29 ARG HA H 368 4.169 4.070 0.099 1
1 333 . 11 1 1 A 29 29 ARG CA C 368 57.558 59.436 -1.878 1
1 334 . 11 1 1 A 29 29 ARG CB C 368 29.908 30.221 -0.313 1
1 337 . 11 1 1 A 29 29 ARG N N 368 119.444 118.717 0.727 1
1 338 . 11 1 1 A 30 30 ARG H H 369 8.018 8.114 -0.096 1
1 339 . 11 1 1 A 30 30 ARG HA H 369 4.260 4.033 0.227 1
1 346 . 11 1 1 A 30 30 ARG CA C 369 57.558 58.849 -1.291 1
1 347 . 11 1 1 A 30 30 ARG CB C 369 30.599 30.116 0.483 1
1 350 . 11 1 1 A 30 30 ARG N N 369 120.388 118.366 2.022 1
1 351 . 11 1 1 A 31 31 GLU H H 370 8.208 8.371 -0.163 1
1 352 . 11 1 1 A 31 31 GLU HA H 370 4.236 4.015 0.221 1
1 357 . 11 1 1 A 31 31 GLU CA C 370 57.788 59.487 -1.699 1
1 358 . 11 1 1 A 31 31 GLU CB C 370 30.369 29.267 1.102 1
1 360 . 11 1 1 A 31 31 GLU N N 370 120.388 119.460 0.928 1
1 361 . 11 1 1 A 32 32 GLN H H 371 8.165 7.960 0.205 1
1 362 . 11 1 1 A 32 32 GLN HA H 371 4.313 4.050 0.263 1
1 367 . 11 1 1 A 32 32 GLN CA C 371 56.636 58.431 -1.795 1
1 368 . 11 1 1 A 32 32 GLN CB C 371 29.217 28.542 0.675 1
1 370 . 11 1 1 A 32 32 GLN N N 371 118.878 117.719 1.159 1
1 371 . 11 1 1 A 33 33 ALA H H 372 8.095 7.589 0.506 1
1 372 . 11 1 1 A 33 33 ALA HA H 372 4.327 4.160 0.167 1
1 376 . 11 1 1 A 33 33 ALA CA C 372 53.180 53.978 -0.798 1
1 377 . 11 1 1 A 33 33 ALA CB C 372 19.079 18.363 0.716 1
1 378 . 11 1 1 A 33 33 ALA N N 372 123.032 121.293 1.739 1
1 379 . 11 1 1 A 34 34 ASN H H 373 8.186 7.910 0.276 1
1 380 . 11 1 1 A 34 34 ASN HA H 373 4.735 4.983 -0.248 1
1 383 . 11 1 1 A 34 34 ASN CA C 373 53.410 52.460 0.950 1
1 384 . 11 1 1 A 34 34 ASN CB C 373 38.894 39.675 -0.781 1
1 385 . 11 1 1 A 34 34 ASN N N 373 115.479 114.892 0.587 1
1 386 . 11 1 1 A 35 35 GLY H H 374 8.266 8.843 -0.577 1
1 387 . 11 1 1 A 35 35 GLY HA2 H 374 3.943 3.946 -0.003 1
1 388 . 11 1 1 A 35 35 GLY HA3 H 374 4.044 3.948 0.096 1
1 389 . 11 1 1 A 35 35 GLY CA C 374 45.576 45.805 -0.229 1
1 390 . 11 1 1 A 35 35 GLY N N 374 108.492 108.321 0.171 1
1 391 . 11 1 1 A 36 36 GLU H H 375 8.132 8.046 0.086 1
1 392 . 11 1 1 A 36 36 GLU HA H 375 4.368 4.832 -0.464 1
1 397 . 11 1 1 A 36 36 GLU CA C 375 55.945 54.798 1.147 1
1 398 . 11 1 1 A 36 36 GLU CB C 375 30.369 33.455 -3.086 1
1 400 . 11 1 1 A 36 36 GLU N N 375 119.822 120.298 -0.476 1
1 401 . 11 1 1 A 37 37 VAL H H 376 8.132 8.771 -0.639 1
1 402 . 11 1 1 A 37 37 VAL HA H 376 4.139 4.725 -0.586 1
1 410 . 11 1 1 A 37 37 VAL CA C 376 62.166 60.395 1.771 1
1 411 . 11 1 1 A 37 37 VAL CB C 376 32.673 34.728 -2.055 1
1 414 . 11 1 1 A 37 37 VAL N N 376 121.144 121.642 -0.498 1
1 415 . 11 1 1 A 38 38 ARG H H 377 8.455 8.899 -0.444 1
1 416 . 11 1 1 A 38 38 ARG HA H 377 4.392 4.710 -0.318 1
1 423 . 11 1 1 A 38 38 ARG CA C 377 55.253 55.645 -0.392 1
1 424 . 11 1 1 A 38 38 ARG CB C 377 31.060 30.945 0.115 1
1 427 . 11 1 1 A 38 38 ARG N N 377 125.109 128.171 -3.062 1
1 428 . 11 1 1 A 39 39 ALA H H 378 8.384 7.874 0.510 1
1 429 . 11 1 1 A 39 39 ALA HA H 378 4.287 4.073 0.214 1
1 433 . 11 1 1 A 39 39 ALA CA C 378 52.028 55.205 -3.177 1
1 434 . 11 1 1 A 39 39 ALA CB C 378 19.540 18.561 0.979 1
1 435 . 11 1 1 A 39 39 ALA N N 378 126.053 122.661 3.392 1
1 436 . 11 1 1 A 40 40 CYS H H 379 8.480 7.972 0.508 1
1 437 . 11 1 1 A 40 40 CYS HA H 379 4.344 4.370 -0.026 1
1 440 . 11 1 1 A 40 40 CYS CA C 379 60.092 60.416 -0.324 1
1 441 . 11 1 1 A 40 40 CYS CB C 379 30.138 27.325 2.813 1
1 442 . 11 1 1 A 40 40 CYS N N 379 123.787 117.640 6.147 1
1 443 . 11 1 1 A 41 41 SER HA H 380 4.588 4.650 -0.062 1
1 446 . 11 1 1 A 41 41 SER CA C 380 57.788 58.701 -0.913 1
1 447 . 11 1 1 A 41 41 SER CB C 380 63.779 65.550 -1.771 1
1 448 . 11 1 1 A 42 42 LEU H H 381 8.642 7.294 1.348 1
1 449 . 11 1 1 A 42 42 LEU HA H 381 4.488 4.352 0.136 1
1 459 . 11 1 1 A 42 42 LEU CA C 381 53.871 53.045 0.826 1
1 460 . 11 1 1 A 42 42 LEU CB C 381 41.659 42.158 -0.499 1
1 464 . 11 1 1 A 42 42 LEU N N 381 129.074 123.278 5.796 1
1 465 . 11 1 1 A 43 43 PRO HA H 382 4.095 4.173 -0.078 1
1 472 . 11 1 1 A 43 43 PRO CA C 382 64.470 64.745 -0.275 1
1 473 . 11 1 1 A 43 43 PRO CB C 382 31.751 31.588 0.163 1
1 476 . 11 1 1 A 44 44 HIS H H 383 8.014 8.076 -0.062 1
1 477 . 11 1 1 A 44 44 HIS HA H 383 4.527 4.958 -0.431 1
1 482 . 11 1 1 A 44 44 HIS CA C 383 58.249 55.109 3.140 1
1 483 . 11 1 1 A 44 44 HIS CB C 383 30.369 30.276 0.093 1
1 486 . 11 1 1 A 44 44 HIS N N 383 110.569 113.532 -2.963 1
1 487 . 11 1 1 A 45 45 CYS H H 384 7.729 7.746 -0.017 1
1 488 . 11 1 1 A 45 45 CYS HA H 384 4.023 3.936 0.087 1
1 491 . 11 1 1 A 45 45 CYS CA C 384 64.470 62.629 1.841 1
1 492 . 11 1 1 A 45 45 CYS CB C 384 28.756 26.488 2.268 1
1 493 . 11 1 1 A 45 45 CYS N N 384 124.165 120.790 3.375 1
1 494 . 11 1 1 A 46 46 ARG H H 385 8.239 8.062 0.177 1
1 495 . 11 1 1 A 46 46 ARG HA H 385 3.978 4.096 -0.118 1
1 502 . 11 1 1 A 46 46 ARG CA C 385 59.401 58.837 0.564 1
1 503 . 11 1 1 A 46 46 ARG CB C 385 28.986 29.835 -0.849 1
1 506 . 11 1 1 A 46 46 ARG N N 385 116.612 119.544 -2.932 1
1 507 . 11 1 1 A 47 47 THR H H 386 7.496 8.120 -0.624 1
1 508 . 11 1 1 A 47 47 THR HA H 386 4.008 3.904 0.104 1
1 513 . 11 1 1 A 47 47 THR CA C 386 65.853 66.920 -1.067 1
1 514 . 11 1 1 A 47 47 THR CB C 386 68.387 68.585 -0.198 1
1 516 . 11 1 1 A 47 47 THR N N 386 114.346 116.442 -2.096 1
1 517 . 11 1 1 A 48 48 MET H H 387 8.216 8.152 0.064 1
1 518 . 11 1 1 A 48 48 MET HA H 387 4.622 4.057 0.565 1
1 526 . 11 1 1 A 48 48 MET CA C 387 56.636 59.205 -2.569 1
1 527 . 11 1 1 A 48 48 MET CB C 387 31.291 33.007 -1.716 1
1 530 . 11 1 1 A 48 48 MET N N 387 119.444 118.326 1.118 1
1 531 . 11 1 1 A 49 49 LYS H H 388 9.306 8.186 1.120 1
1 532 . 11 1 1 A 49 49 LYS HA H 388 3.923 3.972 -0.049 1
1 541 . 11 1 1 A 49 49 LYS CA C 388 61.244 60.309 0.935 1
1 542 . 11 1 1 A 49 49 LYS CB C 388 32.903 32.303 0.600 1
1 546 . 11 1 1 A 49 49 LYS N N 388 122.276 118.080 4.196 1
1 547 . 11 1 1 A 50 50 ASN H H 389 8.069 8.083 -0.014 1
1 548 . 11 1 1 A 50 50 ASN HA H 389 4.629 4.625 0.004 1
1 553 . 11 1 1 A 50 50 ASN CA C 389 56.175 56.163 0.012 1
1 554 . 11 1 1 A 50 50 ASN CB C 389 37.512 38.517 -1.005 1
1 555 . 11 1 1 A 50 50 ASN N N 389 117.178 117.967 -0.789 1
1 557 . 11 1 1 A 51 51 VAL H H 390 8.116 7.827 0.289 1
1 558 . 11 1 1 A 51 51 VAL HA H 390 3.803 3.684 0.119 1
1 566 . 11 1 1 A 51 51 VAL CA C 390 67.235 66.587 0.648 1
1 567 . 11 1 1 A 51 51 VAL CB C 390 31.751 31.551 0.200 1
1 570 . 11 1 1 A 51 51 VAL N N 390 123.598 120.065 3.533 1
1 571 . 11 1 1 A 52 52 LEU H H 391 8.735 8.624 0.111 1
1 572 . 11 1 1 A 52 52 LEU HA H 391 4.123 4.013 0.110 1
1 582 . 11 1 1 A 52 52 LEU CA C 391 58.479 58.260 0.219 1
1 583 . 11 1 1 A 52 52 LEU CB C 391 41.659 41.465 0.194 1
1 587 . 11 1 1 A 52 52 LEU N N 391 120.955 119.813 1.142 1
1 588 . 11 1 1 A 53 53 ASN H H 392 8.231 8.550 -0.319 1
1 589 . 11 1 1 A 53 53 ASN HA H 392 4.561 4.403 0.158 1
1 594 . 11 1 1 A 53 53 ASN CA C 392 56.175 56.477 -0.302 1
1 595 . 11 1 1 A 53 53 ASN CB C 392 38.433 39.226 -0.793 1
1 596 . 11 1 1 A 53 53 ASN N N 392 116.801 117.514 -0.713 1
1 598 . 11 1 1 A 54 54 HIS H H 393 8.049 8.209 -0.160 1
1 599 . 11 1 1 A 54 54 HIS HA H 393 4.418 4.229 0.189 1
1 604 . 11 1 1 A 54 54 HIS CA C 393 59.401 60.118 -0.717 1
1 605 . 11 1 1 A 54 54 HIS CB C 393 27.604 30.215 -2.611 1
1 608 . 11 1 1 A 54 54 HIS N N 393 120.011 119.674 0.337 1
1 609 . 11 1 1 A 55 55 MET H H 394 9.118 8.655 0.463 1
1 610 . 11 1 1 A 55 55 MET HA H 394 3.704 3.950 -0.246 1
1 618 . 11 1 1 A 55 55 MET CA C 394 59.401 58.403 0.998 1
1 619 . 11 1 1 A 55 55 MET CB C 394 34.286 32.513 1.773 1
1 622 . 11 1 1 A 55 55 MET N N 394 119.066 116.707 2.359 1
1 623 . 11 1 1 A 56 56 THR H H 395 7.521 7.734 -0.213 1
1 624 . 11 1 1 A 56 56 THR HA H 395 3.915 3.947 -0.032 1
1 629 . 11 1 1 A 56 56 THR CA C 395 65.392 65.531 -0.139 1
1 630 . 11 1 1 A 56 56 THR CB C 395 69.309 68.537 0.772 1
1 632 . 11 1 1 A 56 56 THR N N 395 110.758 115.306 -4.548 1
1 633 . 11 1 1 A 57 57 HIS H H 396 7.023 7.506 -0.483 1
1 634 . 11 1 1 A 57 57 HIS HA H 396 4.846 4.548 0.298 1
1 639 . 11 1 1 A 57 57 HIS CA C 396 55.023 57.164 -2.141 1
1 640 . 11 1 1 A 57 57 HIS CB C 396 30.830 30.611 0.219 1
1 643 . 11 1 1 A 57 57 HIS N N 396 115.668 115.864 -0.196 1
1 644 . 11 1 1 A 58 58 CYS H H 397 7.134 7.532 -0.398 1
1 645 . 11 1 1 A 58 58 CYS HA H 397 4.048 4.245 -0.197 1
1 648 . 11 1 1 A 58 58 CYS CA C 397 60.784 59.587 1.197 1
1 649 . 11 1 1 A 58 58 CYS CB C 397 29.678 28.352 1.326 1
1 650 . 11 1 1 A 58 58 CYS N N 397 123.598 118.716 4.882 1
1 651 . 11 1 1 A 59 59 GLN HA H 398 4.710 4.686 0.024 1
1 656 . 11 1 1 A 59 59 GLN CA C 398 55.023 55.676 -0.653 1
1 657 . 11 1 1 A 59 59 GLN CB C 398 29.678 30.498 -0.820 1
1 659 . 11 1 1 A 60 60 ALA H H 399 8.689 7.423 1.266 1
1 660 . 11 1 1 A 60 60 ALA HA H 399 4.414 4.292 0.122 1
1 664 . 11 1 1 A 60 60 ALA CA C 399 52.949 51.907 1.042 1
1 665 . 11 1 1 A 60 60 ALA CB C 399 20.001 19.312 0.689 1
1 666 . 11 1 1 A 60 60 ALA N N 399 124.731 122.119 2.612 1
1 667 . 11 1 1 A 61 61 GLY H H 400 8.166 8.351 -0.185 1
1 668 . 11 1 1 A 61 61 GLY HA2 H 400 3.621 3.911 -0.290 1
1 669 . 11 1 1 A 61 61 GLY HA3 H 400 3.976 3.913 0.063 1
1 670 . 11 1 1 A 61 61 GLY CA C 400 46.267 46.639 -0.372 1
1 671 . 11 1 1 A 61 61 GLY N N 400 107.926 107.748 0.178 1
1 672 . 11 1 1 A 62 62 LYS HA H 401 4.138 4.336 -0.198 1
1 673 . 11 1 1 A 62 62 LYS CA C 401 58.479 57.473 1.006 1
1 674 . 11 1 1 A 63 63 ALA H H 402 7.671 7.637 0.034 1
1 675 . 11 1 1 A 63 63 ALA HA H 402 4.448 4.533 -0.085 1
1 679 . 11 1 1 A 63 63 ALA CA C 402 51.336 51.318 0.018 1
1 680 . 11 1 1 A 63 63 ALA CB C 402 19.079 20.646 -1.567 1
1 681 . 11 1 1 A 63 63 ALA N N 402 119.444 121.694 -2.250 1
1 682 . 11 1 1 A 64 64 CYS H H 403 7.497 7.158 0.339 1
1 683 . 11 1 1 A 64 64 CYS HA H 403 3.857 4.359 -0.502 1
1 686 . 11 1 1 A 64 64 CYS CA C 403 62.396 59.564 2.832 1
1 687 . 11 1 1 A 64 64 CYS CB C 403 29.908 28.620 1.288 1
1 688 . 11 1 1 A 64 64 CYS N N 403 121.899 118.418 3.481 1
1 689 . 11 1 1 A 65 65 GLN H H 404 9.025 8.743 0.282 1
1 690 . 11 1 1 A 65 65 GLN HA H 404 4.463 4.168 0.295 1
1 697 . 11 1 1 A 65 65 GLN CA C 404 55.673 58.037 -2.364 1
1 698 . 11 1 1 A 65 65 GLN CB C 404 29.332 28.774 0.558 1
1 700 . 11 1 1 A 65 65 GLN N N 404 128.885 123.386 5.499 1
1 702 . 11 1 1 A 66 66 VAL H H 405 9.337 7.268 2.069 1
1 703 . 11 1 1 A 66 66 VAL HA H 405 3.631 4.085 -0.454 1
1 711 . 11 1 1 A 66 66 VAL CA C 405 64.240 62.928 1.312 1
1 712 . 11 1 1 A 66 66 VAL CB C 405 30.830 31.136 -0.306 1
1 715 . 11 1 1 A 66 66 VAL N N 405 127.752 119.873 7.879 1
1 716 . 11 1 1 A 67 67 ALA H H 406 8.581 8.697 -0.116 1
1 717 . 11 1 1 A 67 67 ALA HA H 406 3.761 3.926 -0.165 1
1 721 . 11 1 1 A 67 67 ALA CA C 406 54.101 55.378 -1.277 1
1 722 . 11 1 1 A 67 67 ALA CB C 406 17.467 18.105 -0.638 1
1 723 . 11 1 1 A 67 67 ALA N N 406 133.983 129.758 4.225 1
1 724 . 11 1 1 A 68 68 HIS H H 407 8.099 7.578 0.521 1
1 725 . 11 1 1 A 68 68 HIS HA H 407 4.407 4.473 -0.066 1
1 730 . 11 1 1 A 68 68 HIS CA C 407 57.327 58.564 -1.237 1
1 731 . 11 1 1 A 68 68 HIS CB C 407 29.447 29.483 -0.036 1
1 734 . 11 1 1 A 68 68 HIS N N 407 110.569 114.825 -4.256 1
1 735 . 11 1 1 A 69 69 CYS H H 408 8.086 7.678 0.408 1
1 736 . 11 1 1 A 69 69 CYS HA H 408 4.163 4.151 0.012 1
1 739 . 11 1 1 A 69 69 CYS CA C 408 64.240 62.168 2.072 1
1 740 . 11 1 1 A 69 69 CYS CB C 408 29.908 27.570 2.338 1
1 741 . 11 1 1 A 69 69 CYS N N 408 126.619 118.935 7.684 1
1 742 . 11 1 1 A 70 70 ALA H H 409 8.728 7.716 1.012 1
1 743 . 11 1 1 A 70 70 ALA HA H 409 4.333 4.078 0.255 1
1 747 . 11 1 1 A 70 70 ALA CA C 409 55.253 55.498 -0.245 1
1 748 . 11 1 1 A 70 70 ALA CB C 409 17.697 18.019 -0.322 1
1 749 . 11 1 1 A 70 70 ALA N N 409 118.689 123.105 -4.416 1
1 750 . 11 1 1 A 71 71 SER H H 410 9.179 8.280 0.899 1
1 751 . 11 1 1 A 71 71 SER HA H 410 4.138 4.214 -0.076 1
1 754 . 11 1 1 A 71 71 SER CA C 410 60.323 61.694 -1.371 1
1 755 . 11 1 1 A 71 71 SER CB C 410 61.244 62.675 -1.431 1
1 756 . 11 1 1 A 71 71 SER N N 410 114.535 113.218 1.317 1
1 757 . 11 1 1 A 72 72 SER H H 411 7.937 8.072 -0.135 1
1 758 . 11 1 1 A 72 72 SER HA H 411 4.048 4.127 -0.079 1
1 762 . 11 1 1 A 72 72 SER CA C 411 64.240 61.732 2.508 1
1 763 . 11 1 1 A 72 72 SER CB C 411 62.396 63.020 -0.624 1
1 764 . 11 1 1 A 72 72 SER N N 411 120.766 117.086 3.680 1
1 765 . 11 1 1 A 73 73 ARG H H 412 8.835 8.305 0.530 1
1 766 . 11 1 1 A 73 73 ARG HA H 412 3.855 3.934 -0.079 1
1 773 . 11 1 1 A 73 73 ARG CA C 412 60.323 59.684 0.639 1
1 774 . 11 1 1 A 73 73 ARG CB C 412 30.369 29.992 0.377 1
1 777 . 11 1 1 A 73 73 ARG N N 412 122.276 121.400 0.876 1
1 778 . 11 1 1 A 74 74 GLN H H 413 7.873 7.490 0.383 1
1 779 . 11 1 1 A 74 74 GLN HA H 413 4.182 4.172 0.010 1
1 786 . 11 1 1 A 74 74 GLN CA C 413 58.710 58.473 0.237 1
1 787 . 11 1 1 A 74 74 GLN CB C 413 29.447 28.724 0.723 1
1 789 . 11 1 1 A 74 74 GLN N N 413 118.689 118.626 0.063 1
1 791 . 11 1 1 A 75 75 ILE H H 414 8.754 8.377 0.377 1
1 792 . 11 1 1 A 75 75 ILE HA H 414 3.617 3.896 -0.279 1
1 802 . 11 1 1 A 75 75 ILE CA C 414 66.544 64.433 2.111 1
1 803 . 11 1 1 A 75 75 ILE CB C 414 38.664 37.286 1.378 1
1 807 . 11 1 1 A 75 75 ILE N N 414 121.710 119.947 1.763 1
1 808 . 11 1 1 A 76 76 ILE H H 415 8.856 8.261 0.595 1
1 809 . 11 1 1 A 76 76 ILE HA H 415 3.863 3.626 0.237 1
1 819 . 11 1 1 A 76 76 ILE CA C 415 64.701 65.271 -0.570 1
1 820 . 11 1 1 A 76 76 ILE CB C 415 37.051 37.713 -0.662 1
1 824 . 11 1 1 A 76 76 ILE N N 415 120.199 123.093 -2.894 1
1 825 . 11 1 1 A 77 77 SER H H 416 7.981 8.077 -0.096 1
1 826 . 11 1 1 A 77 77 SER HA H 416 4.153 4.175 -0.022 1
1 829 . 11 1 1 A 77 77 SER CA C 416 62.166 62.051 0.115 1
1 830 . 11 1 1 A 77 77 SER CB C 416 62.627 63.085 -0.458 1
1 831 . 11 1 1 A 77 77 SER N N 416 114.346 116.318 -1.972 1
1 832 . 11 1 1 A 78 78 HIS H H 417 8.126 7.775 0.351 1
1 833 . 11 1 1 A 78 78 HIS HA H 417 4.154 4.425 -0.271 1
1 838 . 11 1 1 A 78 78 HIS CA C 417 60.553 59.502 1.051 1
1 839 . 11 1 1 A 78 78 HIS CB C 417 28.065 30.214 -2.149 1
1 842 . 11 1 1 A 78 78 HIS N N 417 118.878 121.167 -2.289 1
1 843 . 11 1 1 A 79 79 TRP H H 418 8.417 7.837 0.580 1
1 844 . 11 1 1 A 79 79 TRP HA H 418 4.451 4.176 0.275 1
1 853 . 11 1 1 A 79 79 TRP CA C 418 59.862 60.255 -0.393 1
1 854 . 11 1 1 A 79 79 TRP CB C 418 30.369 29.729 0.640 1
1 860 . 11 1 1 A 79 79 TRP N N 418 119.255 121.341 -2.086 1
1 862 . 11 1 1 A 80 80 LYS H H 419 8.412 8.135 0.277 1
1 863 . 11 1 1 A 80 80 LYS HA H 419 3.714 4.005 -0.291 1
1 872 . 11 1 1 A 80 80 LYS CA C 419 58.710 58.385 0.325 1
1 873 . 11 1 1 A 80 80 LYS CB C 419 32.673 32.236 0.437 1
1 877 . 11 1 1 A 80 80 LYS N N 419 115.101 118.315 -3.214 1
1 878 . 11 1 1 A 81 81 ASN H H 420 7.416 7.798 -0.382 1
1 879 . 11 1 1 A 81 81 ASN HA H 420 4.713 4.749 -0.036 1
1 884 . 11 1 1 A 81 81 ASN CA C 420 53.410 53.916 -0.506 1
1 885 . 11 1 1 A 81 81 ASN CB C 420 40.737 41.334 -0.597 1
1 886 . 11 1 1 A 81 81 ASN N N 420 113.968 114.460 -0.492 1
1 888 . 11 1 1 A 82 82 CYS H H 421 7.617 7.671 -0.054 1
1 889 . 11 1 1 A 82 82 CYS HA H 421 3.986 4.277 -0.291 1
1 892 . 11 1 1 A 82 82 CYS CA C 421 61.244 60.173 1.071 1
1 893 . 11 1 1 A 82 82 CYS CB C 421 28.756 27.891 0.865 1
1 894 . 11 1 1 A 82 82 CYS N N 421 124.354 118.372 5.982 1
1 895 . 11 1 1 A 83 83 THR H H 422 8.535 8.510 0.025 1
1 896 . 11 1 1 A 83 83 THR HA H 422 4.527 4.658 -0.131 1
1 901 . 11 1 1 A 83 83 THR CA C 422 60.553 61.158 -0.605 1
1 902 . 11 1 1 A 83 83 THR CB C 422 69.309 70.683 -1.374 1
1 904 . 11 1 1 A 83 83 THR N N 422 118.500 116.465 2.035 1
1 905 . 11 1 1 A 84 84 ARG HA H 423 4.448 4.102 0.346 1
1 912 . 11 1 1 A 84 84 ARG CA C 423 56.175 56.610 -0.435 1
1 913 . 11 1 1 A 84 84 ARG CB C 423 31.521 31.285 0.236 1
1 916 . 11 1 1 A 85 85 HIS HA H 424 4.391 4.488 -0.097 1
1 921 . 11 1 1 A 85 85 HIS CA C 424 58.479 58.139 0.340 1
1 922 . 11 1 1 A 85 85 HIS CB C 424 30.138 29.105 1.033 1
1 925 . 11 1 1 A 86 86 ASP H H 425 7.962 8.043 -0.081 1
1 926 . 11 1 1 A 86 86 ASP HA H 425 4.525 4.709 -0.184 1
1 929 . 11 1 1 A 86 86 ASP CA C 425 51.567 53.120 -1.553 1
1 930 . 11 1 1 A 86 86 ASP CB C 425 39.585 41.550 -1.965 1
1 931 . 11 1 1 A 86 86 ASP N N 425 116.612 116.360 0.252 1
1 932 . 11 1 1 A 87 87 CYS H H 426 6.974 6.986 -0.012 1
1 933 . 11 1 1 A 87 87 CYS HA H 426 4.247 4.422 -0.175 1
1 936 . 11 1 1 A 87 87 CYS CA C 426 57.558 57.809 -0.251 1
1 937 . 11 1 1 A 87 87 CYS CB C 426 31.291 28.809 2.482 1
1 938 . 11 1 1 A 87 87 CYS N N 426 122.276 120.674 1.602 1
1 939 . 11 1 1 A 88 88 PRO HA H 427 4.445 4.344 0.101 1
1 944 . 11 1 1 A 88 88 PRO CA C 427 64.009 65.280 -1.271 1
1 945 . 11 1 1 A 88 88 PRO CB C 427 32.558 31.997 0.561 1
1 947 . 11 1 1 A 89 89 VAL H H 428 8.460 7.216 1.244 1
1 948 . 11 1 1 A 89 89 VAL HA H 428 3.719 3.797 -0.078 1
1 956 . 11 1 1 A 89 89 VAL CA C 428 65.622 65.360 0.262 1
1 957 . 11 1 1 A 89 89 VAL CB C 428 33.134 31.714 1.420 1
1 960 . 11 1 1 A 89 89 VAL N N 428 119.822 115.948 3.874 1
1 961 . 11 1 1 A 90 90 CYS H H 429 8.729 8.183 0.546 1
1 962 . 11 1 1 A 90 90 CYS HA H 429 4.225 4.253 -0.028 1
1 965 . 11 1 1 A 90 90 CYS CA C 429 63.779 63.028 0.751 1
1 966 . 11 1 1 A 90 90 CYS CB C 429 31.291 26.747 4.544 1
1 967 . 11 1 1 A 90 90 CYS N N 429 118.878 117.885 0.993 1
1 968 . 11 1 1 A 91 91 LEU H H 430 7.907 8.280 -0.373 1
1 969 . 11 1 1 A 91 91 LEU HA H 430 4.214 4.085 0.129 1
1 979 . 11 1 1 A 91 91 LEU CA C 430 60.323 60.323 0.000 1
1 980 . 11 1 1 A 91 91 LEU CB C 430 39.125 39.960 -0.835 1
1 984 . 11 1 1 A 91 91 LEU N N 430 118.878 123.004 -4.126 1
1 985 . 11 1 1 A 92 92 PRO HA H 431 4.460 4.351 0.109 1
1 992 . 11 1 1 A 92 92 PRO CA C 431 65.161 65.707 -0.546 1
1 993 . 11 1 1 A 92 92 PRO CB C 431 31.291 30.772 0.519 1
1 996 . 11 1 1 A 93 93 LEU H H 432 7.459 7.368 0.091 1
1 997 . 11 1 1 A 93 93 LEU HA H 432 4.359 3.868 0.491 1
1 1007 . 11 1 1 A 93 93 LEU CA C 432 55.945 57.424 -1.479 1
1 1008 . 11 1 1 A 93 93 LEU CB C 432 42.350 41.011 1.339 1
1 1012 . 11 1 1 A 93 93 LEU N N 432 115.290 116.658 -1.368 1
1 1013 . 11 1 1 A 94 94 LYS H H 433 7.975 8.632 -0.657 1
1 1014 . 11 1 1 A 94 94 LYS HA H 433 4.390 4.107 0.283 1
1 1022 . 11 1 1 A 94 94 LYS CA C 433 57.558 60.546 -2.988 1
1 1023 . 11 1 1 A 94 94 LYS CB C 433 33.134 32.177 0.957 1
1 1027 . 11 1 1 A 94 94 LYS N N 433 119.255 118.207 1.048 1
1 1028 . 11 1 1 A 95 95 ASN H H 434 8.368 8.489 -0.121 1
1 1029 . 11 1 1 A 95 95 ASN HA H 434 4.733 4.479 0.254 1
1 1034 . 11 1 1 A 95 95 ASN CA C 434 53.410 56.765 -3.355 1
1 1035 . 11 1 1 A 95 95 ASN CB C 434 38.894 38.699 0.195 1
1 1036 . 11 1 1 A 95 95 ASN N N 434 117.934 118.176 -0.242 1
1 1038 . 11 1 1 A 96 96 ALA H H 435 8.040 8.267 -0.227 1
1 1039 . 11 1 1 A 96 96 ALA HA H 435 4.376 4.179 0.197 1
1 1043 . 11 1 1 A 96 96 ALA CA C 435 52.949 54.281 -1.332 1
1 1044 . 11 1 1 A 96 96 ALA CB C 435 19.310 18.422 0.888 1
1 1045 . 11 1 1 A 96 96 ALA N N 435 123.221 121.236 1.985 1
1 1046 . 11 1 1 A 97 97 SER H H 436 8.138 7.587 0.551 1
1 1047 . 11 1 1 A 97 97 SER HA H 436 4.450 4.681 -0.231 1
1 1050 . 11 1 1 A 97 97 SER CA C 436 58.710 59.084 -0.374 1
1 1051 . 11 1 1 A 97 97 SER CB C 436 63.779 64.409 -0.630 1
1 1052 . 11 1 1 A 97 97 SER N N 436 113.591 109.695 3.896 1
1 1053 . 11 1 1 A 98 98 ASP H H 437 8.214 8.128 0.086 1
1 1054 . 11 1 1 A 98 98 ASP HA H 437 4.662 4.543 0.119 1
1 1057 . 11 1 1 A 98 98 ASP CA C 437 54.332 56.137 -1.805 1
1 1058 . 11 1 1 A 98 98 ASP CB C 437 41.198 40.944 0.254 1
1 1059 . 11 1 1 A 98 98 ASP N N 437 121.521 122.168 -0.647 1
1 1060 . 11 1 1 A 99 99 LYS H H 438 8.062 8.006 0.056 1
1 1061 . 11 1 1 A 99 99 LYS HA H 438 4.363 4.008 0.355 1
1 1070 . 11 1 1 A 99 99 LYS CA C 438 55.945 59.700 -3.755 1
1 1071 . 11 1 1 A 99 99 LYS CB C 438 32.720 32.103 0.617 1
1 1075 . 11 1 1 A 99 99 LYS N N 438 121.144 118.464 2.680 1
1 1092 . 11 2 2 B 2 2 SER HA H 783 4.524 4.345 0.179 1
1 1095 . 11 2 2 B 2 2 SER CA C 783 58.053 60.541 -2.488 1
1 1096 . 11 2 2 B 2 2 SER CB C 783 64.502 63.543 0.959 1
1 1097 . 11 2 2 B 3 3 HIS HA H 784 4.721 4.768 -0.047 1
1 1102 . 11 2 2 B 3 3 HIS CA C 784 55.750 56.231 -0.481 1
1 1103 . 11 2 2 B 3 3 HIS CB C 784 30.167 32.906 -2.739 1
1 1106 . 11 2 2 B 4 4 MET HA H 785 4.495 4.703 -0.208 1
1 1114 . 11 2 2 B 4 4 MET CA C 785 55.058 54.132 0.926 1
1 1115 . 11 2 2 B 4 4 MET CB C 785 32.727 36.223 -3.496 1
1 1118 . 11 2 2 B 5 5 VAL H H 786 8.163 8.342 -0.179 1
1 1119 . 11 2 2 B 5 5 VAL HA H 786 4.464 4.264 0.200 1
1 1127 . 11 2 2 B 5 5 VAL CA C 786 59.478 60.875 -1.397 1
1 1128 . 11 2 2 B 5 5 VAL CB C 786 32.606 31.488 1.118 1
1 1131 . 11 2 2 B 5 5 VAL N N 786 122.854 123.572 -0.718 1
1 1132 . 11 2 2 B 6 6 PRO HA H 787 4.437 4.804 -0.367 1
1 1137 . 11 2 2 B 6 6 PRO CA C 787 62.667 62.258 0.409 1
1 1138 . 11 2 2 B 6 6 PRO CB C 787 32.010 31.161 0.849 1
1 1140 . 11 2 2 B 7 7 GLU H H 788 8.306 8.767 -0.461 1
1 1141 . 11 2 2 B 7 7 GLU HA H 788 4.654 4.667 -0.013 1
1 1146 . 11 2 2 B 7 7 GLU CA C 788 53.568 53.652 -0.084 1
1 1147 . 11 2 2 B 7 7 GLU CB C 788 30.011 32.556 -2.545 1
1 1149 . 11 2 2 B 7 7 GLU N N 788 123.231 122.214 1.017 1
1 1150 . 11 2 2 B 8 8 PRO HA H 789 4.490 4.492 -0.002 1
1 1157 . 11 2 2 B 8 8 PRO CA C 789 62.253 62.685 -0.432 1
1 1158 . 11 2 2 B 8 8 PRO CB C 789 32.483 32.241 0.242 1
1 1161 . 11 2 2 B 9 9 ASP H H 790 8.272 8.487 -0.215 1
1 1162 . 11 2 2 B 9 9 ASP HA H 790 4.456 4.590 -0.134 1
1 1165 . 11 2 2 B 9 9 ASP CA C 790 54.137 54.344 -0.207 1
1 1166 . 11 2 2 B 9 9 ASP CB C 790 41.016 40.664 0.352 1
1 1167 . 11 2 2 B 9 9 ASP N N 790 118.511 120.129 -1.618 1
1 1168 . 11 2 2 B 10 10 LEU H H 791 8.463 8.220 0.243 1
1 1169 . 11 2 2 B 10 10 LEU HA H 791 4.356 4.288 0.068 1
1 1179 . 11 2 2 B 10 10 LEU CA C 791 52.531 53.299 -0.768 1
1 1180 . 11 2 2 B 10 10 LEU CB C 791 42.609 43.024 -0.415 1
1 1184 . 11 2 2 B 10 10 LEU N N 791 121.343 126.672 -5.329 1
1 1185 . 11 2 2 B 11 11 PRO HA H 792 4.553 4.465 0.088 1
1 1192 . 11 2 2 B 11 11 PRO CA C 792 62.788 63.202 -0.414 1
1 1193 . 11 2 2 B 11 11 PRO CB C 792 32.716 31.972 0.744 1
1 1196 . 11 2 2 B 12 12 HIS HA H 793 3.989 3.947 0.042 1
1 1201 . 11 2 2 B 12 12 HIS CA C 793 60.326 59.511 0.815 1
1 1202 . 11 2 2 B 12 12 HIS CB C 793 30.803 29.700 1.103 1
1 1205 . 11 2 2 B 13 13 ASP H H 794 8.938 8.638 0.300 1
1 1206 . 11 2 2 B 13 13 ASP HA H 794 4.460 4.131 0.329 1
1 1209 . 11 2 2 B 13 13 ASP CA C 794 54.581 56.623 -2.042 1
1 1210 . 11 2 2 B 13 13 ASP CB C 794 38.061 39.513 -1.452 1
1 1211 . 11 2 2 B 13 13 ASP N N 794 114.734 118.440 -3.706 1
1 1212 . 11 2 2 B 14 14 LEU H H 795 7.674 7.627 0.047 1
1 1213 . 11 2 2 B 14 14 LEU HA H 795 4.546 4.186 0.360 1
1 1223 . 11 2 2 B 14 14 LEU CA C 795 53.478 55.992 -2.514 1
1 1224 . 11 2 2 B 14 14 LEU CB C 795 43.597 41.945 1.652 1
1 1228 . 11 2 2 B 14 14 LEU N N 795 116.056 119.582 -3.526 1
1 1229 . 11 2 2 B 15 15 ARG H H 796 7.225 7.905 -0.680 1
1 1230 . 11 2 2 B 15 15 ARG HA H 796 3.809 3.825 -0.016 1
1 1237 . 11 2 2 B 15 15 ARG CA C 796 58.744 59.535 -0.791 1
1 1238 . 11 2 2 B 15 15 ARG CB C 796 30.413 29.590 0.823 1
1 1241 . 11 2 2 B 15 15 ARG N N 796 116.434 119.689 -3.255 1
1 1242 . 11 2 2 B 16 16 HIS HA H 797 4.703 4.364 0.339 1
1 1247 . 11 2 2 B 16 16 HIS CA C 797 55.289 59.126 -3.837 1
1 1248 . 11 2 2 B 16 16 HIS CB C 797 29.538 30.022 -0.484 1
1 1251 . 11 2 2 B 17 17 LEU H H 798 6.982 7.392 -0.410 1
1 1252 . 11 2 2 B 17 17 LEU HA H 798 4.071 4.119 -0.048 1
1 1262 . 11 2 2 B 17 17 LEU CA C 798 54.807 55.447 -0.640 1
1 1263 . 11 2 2 B 17 17 LEU CB C 798 42.206 42.233 -0.027 1
1 1267 . 11 2 2 B 17 17 LEU N N 798 120.399 120.372 0.027 1
1 1268 . 11 2 2 B 18 18 ASN H H 799 8.789 8.648 0.141 1
1 1269 . 11 2 2 B 18 18 ASN HA H 799 4.857 4.904 -0.047 1
1 1274 . 11 2 2 B 18 18 ASN CA C 799 52.166 52.722 -0.556 1
1 1275 . 11 2 2 B 18 18 ASN CB C 799 37.842 38.559 -0.717 1
1 1276 . 11 2 2 B 18 18 ASN N N 799 121.343 123.050 -1.707 1
1 1278 . 11 2 2 B 19 19 THR H H 800 8.585 8.586 -0.001 1
1 1279 . 11 2 2 B 19 19 THR HA H 800 4.522 4.347 0.175 1
1 1284 . 11 2 2 B 19 19 THR CA C 800 62.143 63.823 -1.680 1
1 1285 . 11 2 2 B 19 19 THR CB C 800 68.865 69.026 -0.161 1
1 1287 . 11 2 2 B 19 19 THR N N 800 115.301 118.328 -3.027 1
1 1288 . 11 2 2 B 20 20 GLU H H 801 8.415 8.531 -0.116 1
1 1289 . 11 2 2 B 20 20 GLU HA H 801 4.337 4.146 0.191 1
1 1294 . 11 2 2 B 20 20 GLU CA C 801 61.496 62.957 -1.461 1
1 1295 . 11 2 2 B 20 20 GLU CB C 801 26.493 27.619 -1.126 1
1 1297 . 11 2 2 B 20 20 GLU N N 801 125.119 123.034 2.085 1
1 1298 . 11 2 2 B 21 21 PRO HA H 802 4.422 4.280 0.142 1
1 1305 . 11 2 2 B 21 21 PRO CA C 802 64.520 65.451 -0.931 1
1 1306 . 11 2 2 B 21 21 PRO CB C 802 31.355 30.438 0.917 1
1 1309 . 11 2 2 B 22 22 MET H H 803 7.303 7.612 -0.309 1
1 1310 . 11 2 2 B 22 22 MET HA H 803 4.062 4.119 -0.057 1
1 1318 . 11 2 2 B 22 22 MET CA C 803 55.686 57.775 -2.089 1
1 1319 . 11 2 2 B 22 22 MET CB C 803 33.481 31.931 1.550 1
1 1322 . 11 2 2 B 22 22 MET N N 803 110.769 115.091 -4.322 1
1 1323 . 11 2 2 B 23 23 GLU H H 804 7.624 7.746 -0.122 1
1 1324 . 11 2 2 B 23 23 GLU HA H 804 3.918 3.992 -0.074 1
1 1329 . 11 2 2 B 23 23 GLU CA C 804 59.221 59.142 0.079 1
1 1330 . 11 2 2 B 23 23 GLU CB C 804 28.993 29.332 -0.339 1
1 1332 . 11 2 2 B 23 23 GLU N N 804 118.699 118.296 0.403 1
1 1333 . 11 2 2 B 24 24 ILE H H 805 6.626 6.683 -0.057 1
1 1334 . 11 2 2 B 24 24 ILE HA H 805 3.999 3.720 0.279 1
1 1344 . 11 2 2 B 24 24 ILE CA C 805 62.734 63.822 -1.088 1
1 1345 . 11 2 2 B 24 24 ILE CB C 805 37.574 36.935 0.639 1
1 1349 . 11 2 2 B 24 24 ILE N N 805 111.524 116.151 -4.627 1
1 1350 . 11 2 2 B 25 25 PHE H H 806 7.515 7.332 0.183 1
1 1351 . 11 2 2 B 25 25 PHE HA H 806 4.524 4.402 0.122 1
1 1358 . 11 2 2 B 25 25 PHE CA C 806 55.760 61.435 -5.675 1
1 1359 . 11 2 2 B 25 25 PHE CB C 806 38.464 38.779 -0.315 1
1 1362 . 11 2 2 B 25 25 PHE N N 806 118.322 120.991 -2.669 1
1 1363 . 11 2 2 B 26 26 ARG H H 807 7.368 8.046 -0.678 1
1 1364 . 11 2 2 B 26 26 ARG HA H 807 4.024 4.112 -0.088 1
1 1371 . 11 2 2 B 26 26 ARG CA C 807 58.864 59.026 -0.162 1
1 1372 . 11 2 2 B 26 26 ARG CB C 807 30.872 29.958 0.914 1
1 1375 . 11 2 2 B 26 26 ARG N N 807 118.888 121.681 -2.793 1
1 1376 . 11 2 2 B 27 27 ASN H H 808 8.877 8.115 0.762 1
1 1377 . 11 2 2 B 27 27 ASN HA H 808 4.732 4.989 -0.257 1
1 1382 . 11 2 2 B 27 27 ASN CA C 808 53.413 52.050 1.363 1
1 1383 . 11 2 2 B 27 27 ASN CB C 808 38.244 39.012 -0.768 1
1 1384 . 11 2 2 B 27 27 ASN N N 808 117.000 113.629 3.371 1
1 1386 . 11 2 2 B 28 28 SER H H 809 7.969 7.938 0.031 1
1 1387 . 11 2 2 B 28 28 SER HA H 809 4.440 4.755 -0.315 1
1 1390 . 11 2 2 B 28 28 SER CA C 809 60.606 57.910 2.696 1
1 1391 . 11 2 2 B 28 28 SER CB C 809 64.021 64.489 -0.468 1
1 1392 . 11 2 2 B 28 28 SER N N 809 114.356 115.127 -0.771 1
1 1393 . 11 2 2 B 29 29 VAL HA H 810 4.304 4.775 -0.471 1
1 1401 . 11 2 2 B 29 29 VAL CA C 810 60.803 60.279 0.524 1
1 1402 . 11 2 2 B 29 29 VAL CB C 810 34.232 36.856 -2.624 1
1 1405 . 11 2 2 B 30 30 LYS H H 811 8.707 8.484 0.223 1
1 1406 . 11 2 2 B 30 30 LYS HA H 811 4.552 4.731 -0.179 1
1 1415 . 11 2 2 B 30 30 LYS CA C 811 55.058 54.910 0.148 1
1 1416 . 11 2 2 B 30 30 LYS CB C 811 31.782 32.889 -1.107 1
1 1420 . 11 2 2 B 30 30 LYS N N 811 127.196 123.873 3.323 1
1 1421 . 11 2 2 B 31 31 ILE H H 812 8.604 8.344 0.260 1
1 1422 . 11 2 2 B 31 31 ILE HA H 812 3.662 3.699 -0.037 1
1 1432 . 11 2 2 B 31 31 ILE CA C 812 64.066 64.995 -0.929 1
1 1433 . 11 2 2 B 31 31 ILE CB C 812 37.726 37.607 0.119 1
1 1437 . 11 2 2 B 31 31 ILE N N 812 125.497 124.765 0.732 1
1 1438 . 11 2 2 B 32 32 GLU H H 813 9.330 8.347 0.983 1
1 1439 . 11 2 2 B 32 32 GLU HA H 813 4.162 4.185 -0.023 1
1 1444 . 11 2 2 B 32 32 GLU CA C 813 58.096 58.511 -0.415 1
1 1445 . 11 2 2 B 32 32 GLU CB C 813 28.834 30.044 -1.210 1
1 1447 . 11 2 2 B 32 32 GLU N N 813 118.888 118.657 0.231 1
1 1448 . 11 2 2 B 33 33 GLU H H 814 7.742 7.922 -0.180 1
1 1449 . 11 2 2 B 33 33 GLU HA H 814 4.334 4.258 0.076 1
1 1454 . 11 2 2 B 33 33 GLU CA C 814 56.441 58.609 -2.168 1
1 1455 . 11 2 2 B 33 33 GLU CB C 814 30.396 29.771 0.625 1
1 1457 . 11 2 2 B 33 33 GLU N N 814 117.566 118.582 -1.016 1
1 1458 . 11 2 2 B 34 34 ILE H H 815 7.598 7.603 -0.005 1
1 1459 . 11 2 2 B 34 34 ILE HA H 815 4.216 3.754 0.462 1
1 1469 . 11 2 2 B 34 34 ILE CA C 815 61.047 64.939 -3.892 1
1 1470 . 11 2 2 B 34 34 ILE CB C 815 38.712 38.117 0.595 1
1 1474 . 11 2 2 B 34 34 ILE N N 815 117.566 118.358 -0.792 1
1 1475 . 11 2 2 B 35 35 MET H H 816 8.177 7.529 0.648 1
1 1476 . 11 2 2 B 35 35 MET HA H 816 4.733 4.475 0.258 1
1 1484 . 11 2 2 B 35 35 MET CA C 816 53.461 53.880 -0.419 1
1 1485 . 11 2 2 B 35 35 MET CB C 816 32.025 33.701 -1.676 1
1 1488 . 11 2 2 B 35 35 MET N N 816 122.665 121.389 1.276 1
1 1489 . 11 2 2 B 36 36 PRO HA H 817 4.743 4.424 0.319 1
1 1496 . 11 2 2 B 36 36 PRO CA C 817 62.542 63.813 -1.271 1
1 1497 . 11 2 2 B 36 36 PRO CB C 817 34.328 32.301 2.027 1
1 1500 . 11 2 2 B 37 37 ASN H H 818 8.374 8.191 0.183 1
1 1501 . 11 2 2 B 37 37 ASN HA H 818 4.752 4.425 0.327 1
1 1504 . 11 2 2 B 37 37 ASN CA C 818 52.995 53.988 -0.993 1
1 1505 . 11 2 2 B 37 37 ASN CB C 818 38.705 36.269 2.436 1
1 1506 . 11 2 2 B 37 37 ASN N N 818 117.378 117.552 -0.174 1
1 1507 . 11 2 2 B 38 38 GLY H H 819 8.314 8.226 0.088 1
1 1508 . 11 2 2 B 38 38 GLY HA2 H 819 3.937 3.896 0.041 1
1 1509 . 11 2 2 B 38 38 GLY HA3 H 819 3.994 3.897 0.097 1
1 1510 . 11 2 2 B 38 38 GLY CA C 819 45.006 46.459 -1.453 1
1 1511 . 11 2 2 B 38 38 GLY N N 819 108.881 108.242 0.639 1
1 1512 . 11 2 2 B 39 39 ASP H H 820 8.157 7.898 0.259 1
1 1513 . 11 2 2 B 39 39 ASP HA H 820 4.939 5.006 -0.067 1
1 1516 . 11 2 2 B 39 39 ASP CA C 820 51.896 51.218 0.678 1
1 1517 . 11 2 2 B 39 39 ASP CB C 820 41.672 44.062 -2.390 1
1 1518 . 11 2 2 B 39 39 ASP N N 820 121.154 116.809 4.345 1
1 1519 . 11 2 2 B 40 40 PRO HA H 821 4.483 4.396 0.087 1
1 1526 . 11 2 2 B 40 40 PRO CA C 821 63.351 64.516 -1.165 1
1 1527 . 11 2 2 B 40 40 PRO CB C 821 32.066 32.083 -0.017 1
1 1530 . 11 2 2 B 41 41 LEU H H 822 8.440 7.533 0.907 1
1 1531 . 11 2 2 B 41 41 LEU HA H 822 4.262 4.081 0.181 1
1 1541 . 11 2 2 B 41 41 LEU CA C 822 55.539 57.131 -1.592 1
1 1542 . 11 2 2 B 41 41 LEU CB C 822 41.496 41.025 0.471 1
1 1546 . 11 2 2 B 41 41 LEU N N 822 119.644 118.619 1.025 1
1 1547 . 11 2 2 B 42 42 LEU H H 823 7.863 7.910 -0.047 1
1 1548 . 11 2 2 B 42 42 LEU HA H 823 4.353 4.103 0.250 1
1 1558 . 11 2 2 B 42 42 LEU CA C 823 54.598 57.198 -2.600 1
1 1559 . 11 2 2 B 42 42 LEU CB C 823 42.025 41.840 0.185 1
1 1563 . 11 2 2 B 42 42 LEU N N 823 120.399 119.864 0.535 1
1 1564 . 11 2 2 B 43 43 ALA H H 824 8.022 7.825 0.197 1
1 1565 . 11 2 2 B 43 43 ALA HA H 824 4.330 4.116 0.214 1
1 1569 . 11 2 2 B 43 43 ALA CA C 824 52.539 55.380 -2.841 1
1 1570 . 11 2 2 B 43 43 ALA CB C 824 19.126 18.470 0.656 1
1 1571 . 11 2 2 B 43 43 ALA N N 824 123.420 122.007 1.413 1
1 1572 . 11 2 2 B 44 44 GLY H H 825 8.346 8.552 -0.206 1
1 1573 . 11 2 2 B 44 44 GLY HA2 H 825 3.973 3.965 0.008 1
1 1574 . 11 2 2 B 44 44 GLY HA3 H 825 3.973 3.970 0.003 1
1 1575 . 11 2 2 B 44 44 GLY CA C 825 45.123 46.853 -1.730 1
1 1576 . 11 2 2 B 44 44 GLY N N 825 107.559 105.084 2.475 1
1 1577 . 11 2 2 B 45 45 GLN H H 826 8.204 7.919 0.285 1
1 1578 . 11 2 2 B 45 45 GLN HA H 826 4.377 4.479 -0.102 1
1 1585 . 11 2 2 B 45 45 GLN CA C 826 55.686 55.965 -0.279 1
1 1586 . 11 2 2 B 45 45 GLN CB C 826 29.376 30.246 -0.870 1
1 1588 . 11 2 2 B 45 45 GLN N N 826 119.266 117.689 1.577 1
1 1590 . 11 2 2 B 46 46 ASN H H 827 8.556 8.161 0.395 1
1 1591 . 11 2 2 B 46 46 ASN HA H 827 4.824 4.516 0.308 1
1 1596 . 11 2 2 B 46 46 ASN CA C 827 53.216 54.962 -1.746 1
1 1597 . 11 2 2 B 46 46 ASN CB C 827 38.759 38.991 -0.232 1
1 1598 . 11 2 2 B 46 46 ASN N N 827 119.266 118.067 1.199 1
1 1600 . 11 2 2 B 47 47 THR H H 828 8.127 7.430 0.697 1
1 1601 . 11 2 2 B 47 47 THR HA H 828 4.414 4.453 -0.039 1
1 1606 . 11 2 2 B 47 47 THR CA C 828 61.564 59.555 2.009 1
1 1607 . 11 2 2 B 47 47 THR CB C 828 69.507 70.755 -1.248 1
1 1609 . 11 2 2 B 47 47 THR N N 828 113.790 111.118 2.672 1
1 1610 . 11 2 2 B 48 48 VAL H H 829 8.140 8.192 -0.052 1
1 1611 . 11 2 2 B 48 48 VAL HA H 829 4.091 3.624 0.467 1
1 1619 . 11 2 2 B 48 48 VAL CA C 829 62.146 62.190 -0.044 1
1 1620 . 11 2 2 B 48 48 VAL CB C 829 32.515 31.979 0.536 1
1 1623 . 11 2 2 B 48 48 VAL N N 829 120.776 122.441 -1.665 1
1 1624 . 11 2 2 B 49 49 ASP H H 830 8.287 8.677 -0.390 1
1 1625 . 11 2 2 B 49 49 ASP HA H 830 4.617 4.934 -0.317 1
1 1628 . 11 2 2 B 49 49 ASP CA C 830 54.308 52.676 1.632 1
1 1629 . 11 2 2 B 49 49 ASP CB C 830 41.241 44.383 -3.142 1
1 1630 . 11 2 2 B 49 49 ASP N N 830 123.042 122.415 0.627 1
1 1631 . 11 2 2 B 50 50 GLU H H 831 8.242 9.187 -0.945 1
1 1632 . 11 2 2 B 50 50 GLU HA H 831 4.261 4.160 0.101 1
1 1637 . 11 2 2 B 50 50 GLU CA C 831 56.521 58.803 -2.282 1
1 1638 . 11 2 2 B 50 50 GLU CB C 831 30.209 29.008 1.201 1
1 1640 . 11 2 2 B 50 50 GLU N N 831 120.776 121.685 -0.909 1
1 1641 . 11 2 2 B 51 51 VAL H H 832 8.044 8.054 -0.010 1
1 1642 . 11 2 2 B 51 51 VAL HA H 832 3.988 3.872 0.116 1
1 1650 . 11 2 2 B 51 51 VAL CA C 832 62.472 64.547 -2.075 1
1 1651 . 11 2 2 B 51 51 VAL CB C 832 32.278 31.802 0.476 1
1 1654 . 11 2 2 B 51 51 VAL N N 832 120.021 120.863 -0.842 1
1 1655 . 11 2 2 B 52 52 TYR H H 833 8.148 7.778 0.370 1
1 1656 . 11 2 2 B 52 52 TYR HA H 833 4.598 4.376 0.222 1
1 1663 . 11 2 2 B 52 52 TYR CA C 833 57.743 60.514 -2.771 1
1 1664 . 11 2 2 B 52 52 TYR CB C 833 38.702 39.577 -0.875 1
1 1667 . 11 2 2 B 52 52 TYR N N 833 122.854 118.717 4.137 1
1 1668 . 11 2 2 B 53 53 VAL H H 834 7.868 7.150 0.718 1
1 1669 . 11 2 2 B 53 53 VAL HA H 834 4.114 4.062 0.052 1
1 1677 . 11 2 2 B 53 53 VAL CA C 834 61.508 62.135 -0.627 1
1 1678 . 11 2 2 B 53 53 VAL CB C 834 33.010 32.507 0.503 1
1 1681 . 11 2 2 B 53 53 VAL N N 834 121.721 118.147 3.574 1
1 1682 . 11 2 2 B 54 54 SER H H 835 8.237 8.815 -0.578 1
1 1683 . 11 2 2 B 54 54 SER HA H 835 4.422 4.448 -0.026 1
1 1686 . 11 2 2 B 54 54 SER CA C 835 57.823 59.125 -1.302 1
1 1687 . 11 2 2 B 54 54 SER CB C 835 63.437 63.652 -0.215 1
1 1688 . 11 2 2 B 54 54 SER N N 835 119.077 118.925 0.152 1
1 1689 . 11 2 2 B 55 55 ARG H H 836 8.284 7.819 0.465 1
1 1690 . 11 2 2 B 55 55 ARG HA H 836 4.701 4.010 0.691 1
1 1697 . 11 2 2 B 55 55 ARG CA C 836 53.601 56.594 -2.993 1
1 1698 . 11 2 2 B 55 55 ARG CB C 836 30.394 28.218 2.176 1
1 1701 . 11 2 2 B 55 55 ARG N N 836 123.798 116.231 7.567 1
1 1702 . 11 2 2 B 56 56 PRO HA H 837 4.485 4.489 -0.004 1
1 1709 . 11 2 2 B 56 56 PRO CA C 837 63.351 64.338 -0.987 1
1 1710 . 11 2 2 B 56 56 PRO CB C 837 31.795 31.911 -0.116 1
1 7 . 12 1 1 A 2 2 THR HA H 341 4.462 4.308 0.154 1
1 12 . 12 1 1 A 2 2 THR CA C 341 61.936 63.638 -1.702 1
1 13 . 12 1 1 A 2 2 THR CB C 341 69.770 69.344 0.426 1
1 15 . 12 1 1 A 3 3 GLY HA2 H 342 4.141 4.284 -0.143 1
1 16 . 12 1 1 A 3 3 GLY HA3 H 342 4.238 4.284 -0.046 1
1 17 . 12 1 1 A 3 3 GLY CA C 342 44.424 45.853 -1.429 1
1 18 . 12 1 1 A 4 4 PRO HA H 343 4.567 4.413 0.154 1
1 25 . 12 1 1 A 4 4 PRO CA C 343 63.088 64.968 -1.880 1
1 26 . 12 1 1 A 4 4 PRO CB C 343 32.443 31.940 0.503 1
1 29 . 12 1 1 A 5 5 THR H H 344 8.284 8.172 0.112 1
1 30 . 12 1 1 A 5 5 THR HA H 344 4.342 4.207 0.135 1
1 35 . 12 1 1 A 5 5 THR CA C 344 61.936 63.793 -1.857 1
1 36 . 12 1 1 A 5 5 THR CB C 344 69.539 68.363 1.176 1
1 38 . 12 1 1 A 5 5 THR N N 344 113.968 109.765 4.203 1
1 39 . 12 1 1 A 6 6 ALA H H 345 8.269 7.779 0.490 1
1 40 . 12 1 1 A 6 6 ALA HA H 345 4.434 4.504 -0.070 1
1 44 . 12 1 1 A 6 6 ALA CA C 345 52.028 51.404 0.624 1
1 45 . 12 1 1 A 6 6 ALA CB C 345 19.771 20.592 -0.821 1
1 46 . 12 1 1 A 6 6 ALA N N 345 126.619 123.546 3.073 1
1 47 . 12 1 1 A 7 7 ASP H H 346 8.454 7.149 1.305 1
1 48 . 12 1 1 A 7 7 ASP HA H 346 4.917 4.519 0.398 1
1 51 . 12 1 1 A 7 7 ASP CA C 346 52.719 52.133 0.586 1
1 52 . 12 1 1 A 7 7 ASP CB C 346 41.659 41.752 -0.093 1
1 53 . 12 1 1 A 7 7 ASP N N 346 120.766 120.931 -0.165 1
1 54 . 12 1 1 A 8 8 PRO HA H 347 4.398 4.260 0.138 1
1 61 . 12 1 1 A 8 8 PRO CA C 347 64.931 65.358 -0.427 1
1 62 . 12 1 1 A 8 8 PRO CB C 347 32.388 31.958 0.430 1
1 65 . 12 1 1 A 9 9 GLU H H 348 8.113 8.029 0.084 1
1 66 . 12 1 1 A 9 9 GLU HA H 348 4.154 4.118 0.036 1
1 71 . 12 1 1 A 9 9 GLU CB C 348 30.138 29.303 0.835 1
1 73 . 12 1 1 A 9 9 GLU N N 348 116.423 118.063 -1.640 1
1 74 . 12 1 1 A 10 10 LYS H H 349 7.699 8.186 -0.487 1
1 75 . 12 1 1 A 10 10 LYS HA H 349 3.982 3.981 0.001 1
1 84 . 12 1 1 A 10 10 LYS CA C 349 60.092 59.613 0.479 1
1 85 . 12 1 1 A 10 10 LYS CB C 349 32.558 32.285 0.273 1
1 89 . 12 1 1 A 10 10 LYS N N 349 119.255 119.937 -0.682 1
1 90 . 12 1 1 A 11 11 ARG H H 350 7.845 8.008 -0.163 1
1 91 . 12 1 1 A 11 11 ARG HA H 350 3.656 3.947 -0.291 1
1 98 . 12 1 1 A 11 11 ARG CA C 350 60.092 59.264 0.828 1
1 99 . 12 1 1 A 11 11 ARG CB C 350 28.295 29.953 -1.658 1
1 102 . 12 1 1 A 11 11 ARG N N 350 117.178 119.276 -2.098 1
1 103 . 12 1 1 A 12 12 LYS H H 351 7.888 7.896 -0.008 1
1 104 . 12 1 1 A 12 12 LYS HA H 351 4.198 4.314 -0.116 1
1 109 . 12 1 1 A 12 12 LYS CA C 351 59.631 59.206 0.425 1
1 110 . 12 1 1 A 12 12 LYS CB C 351 32.673 32.210 0.463 1
1 112 . 12 1 1 A 12 12 LYS N N 351 117.745 119.544 -1.799 1
1 113 . 12 1 1 A 13 13 LEU H H 352 7.696 8.001 -0.305 1
1 114 . 12 1 1 A 13 13 LEU HA H 352 4.259 4.062 0.197 1
1 124 . 12 1 1 A 13 13 LEU CA C 352 58.019 57.964 0.055 1
1 125 . 12 1 1 A 13 13 LEU CB C 352 42.120 41.710 0.410 1
1 129 . 12 1 1 A 13 13 LEU N N 352 119.444 119.881 -0.437 1
1 130 . 12 1 1 A 14 14 ILE H H 353 7.831 7.656 0.175 1
1 131 . 12 1 1 A 14 14 ILE HA H 353 3.648 3.790 -0.142 1
1 141 . 12 1 1 A 14 14 ILE CA C 353 65.392 64.207 1.185 1
1 142 . 12 1 1 A 14 14 ILE CB C 353 38.203 37.453 0.750 1
1 146 . 12 1 1 A 14 14 ILE N N 353 118.311 115.621 2.690 1
1 147 . 12 1 1 A 15 15 GLN H H 354 8.178 7.936 0.242 1
1 148 . 12 1 1 A 15 15 GLN HA H 354 3.791 3.862 -0.071 1
1 155 . 12 1 1 A 15 15 GLN CA C 354 59.631 59.121 0.510 1
1 156 . 12 1 1 A 15 15 GLN CB C 354 30.369 28.467 1.902 1
1 158 . 12 1 1 A 15 15 GLN N N 354 116.423 120.884 -4.461 1
1 160 . 12 1 1 A 16 16 GLN H H 355 8.192 8.239 -0.047 1
1 161 . 12 1 1 A 16 16 GLN HA H 355 3.799 4.074 -0.275 1
1 168 . 12 1 1 A 16 16 GLN CA C 355 59.171 59.188 -0.017 1
1 169 . 12 1 1 A 16 16 GLN CB C 355 28.986 28.439 0.547 1
1 171 . 12 1 1 A 16 16 GLN N N 355 117.178 118.738 -1.560 1
1 173 . 12 1 1 A 17 17 GLN H H 356 7.970 7.708 0.262 1
1 174 . 12 1 1 A 17 17 GLN HA H 356 3.136 4.036 -0.900 1
1 181 . 12 1 1 A 17 17 GLN CA C 356 60.323 58.602 1.721 1
1 182 . 12 1 1 A 17 17 GLN CB C 356 27.143 28.213 -1.070 1
1 184 . 12 1 1 A 17 17 GLN N N 356 118.311 119.660 -1.349 1
1 186 . 12 1 1 A 18 18 LEU H H 357 8.408 8.198 0.210 1
1 187 . 12 1 1 A 18 18 LEU HA H 357 3.863 3.967 -0.104 1
1 197 . 12 1 1 A 18 18 LEU CA C 357 58.710 58.322 0.388 1
1 198 . 12 1 1 A 18 18 LEU CB C 357 40.968 41.553 -0.585 1
1 202 . 12 1 1 A 18 18 LEU N N 357 117.934 121.080 -3.146 1
1 203 . 12 1 1 A 19 19 VAL H H 358 8.544 8.225 0.319 1
1 204 . 12 1 1 A 19 19 VAL HA H 358 3.479 3.421 0.058 1
1 212 . 12 1 1 A 19 19 VAL CA C 358 66.544 66.687 -0.143 1
1 213 . 12 1 1 A 19 19 VAL CB C 358 31.060 31.621 -0.561 1
1 216 . 12 1 1 A 19 19 VAL N N 358 116.423 118.950 -2.527 1
1 217 . 12 1 1 A 20 20 LEU H H 359 7.820 8.110 -0.290 1
1 218 . 12 1 1 A 20 20 LEU HA H 359 3.952 3.959 -0.007 1
1 228 . 12 1 1 A 20 20 LEU CA C 359 58.019 58.011 0.008 1
1 229 . 12 1 1 A 20 20 LEU CB C 359 42.696 41.273 1.423 1
1 233 . 12 1 1 A 20 20 LEU N N 359 120.955 120.296 0.659 1
1 234 . 12 1 1 A 21 21 LEU H H 360 8.278 8.166 0.112 1
1 235 . 12 1 1 A 21 21 LEU HA H 360 3.868 4.094 -0.226 1
1 245 . 12 1 1 A 21 21 LEU CA C 360 58.710 58.003 0.707 1
1 246 . 12 1 1 A 21 21 LEU CB C 360 42.811 41.602 1.209 1
1 250 . 12 1 1 A 21 21 LEU N N 360 121.144 119.629 1.515 1
1 251 . 12 1 1 A 22 22 LEU H H 361 8.331 8.225 0.106 1
1 252 . 12 1 1 A 22 22 LEU HA H 361 3.919 3.918 0.001 1
1 262 . 12 1 1 A 22 22 LEU CA C 361 57.788 58.242 -0.454 1
1 263 . 12 1 1 A 22 22 LEU CB C 361 41.083 41.168 -0.085 1
1 267 . 12 1 1 A 22 22 LEU N N 361 118.500 118.021 0.479 1
1 268 . 12 1 1 A 23 23 HIS H H 362 8.620 8.577 0.043 1
1 269 . 12 1 1 A 23 23 HIS HA H 362 4.114 4.200 -0.086 1
1 274 . 12 1 1 A 23 23 HIS CA C 362 60.323 59.753 0.570 1
1 275 . 12 1 1 A 23 23 HIS CB C 362 27.834 29.871 -2.037 1
1 278 . 12 1 1 A 23 23 HIS N N 362 117.934 118.036 -0.102 1
1 279 . 12 1 1 A 24 24 ALA H H 363 9.049 8.494 0.555 1
1 280 . 12 1 1 A 24 24 ALA HA H 363 3.954 3.999 -0.045 1
1 284 . 12 1 1 A 24 24 ALA CA C 363 55.253 55.123 0.130 1
1 285 . 12 1 1 A 24 24 ALA CB C 363 19.079 18.021 1.058 1
1 286 . 12 1 1 A 24 24 ALA N N 363 121.710 120.612 1.098 1
1 287 . 12 1 1 A 25 25 HIS H H 364 7.955 8.059 -0.104 1
1 288 . 12 1 1 A 25 25 HIS HA H 364 4.130 4.302 -0.172 1
1 293 . 12 1 1 A 25 25 HIS CA C 364 60.092 59.398 0.694 1
1 294 . 12 1 1 A 25 25 HIS CB C 364 31.060 29.678 1.382 1
1 297 . 12 1 1 A 25 25 HIS N N 364 115.856 118.018 -2.162 1
1 298 . 12 1 1 A 26 26 LYS H H 365 7.053 7.983 -0.930 1
1 299 . 12 1 1 A 26 26 LYS HA H 365 4.014 3.648 0.366 1
1 302 . 12 1 1 A 26 26 LYS CA C 365 57.788 59.505 -1.717 1
1 303 . 12 1 1 A 26 26 LYS CB C 365 32.903 32.060 0.843 1
1 304 . 12 1 1 A 26 26 LYS N N 365 117.178 118.672 -1.494 1
1 305 . 12 1 1 A 27 27 CYS H H 366 8.592 8.150 0.442 1
1 306 . 12 1 1 A 27 27 CYS HA H 366 3.741 4.056 -0.315 1
1 309 . 12 1 1 A 27 27 CYS CA C 366 62.396 62.243 0.153 1
1 310 . 12 1 1 A 27 27 CYS CB C 366 29.678 26.779 2.899 1
1 311 . 12 1 1 A 27 27 CYS N N 366 123.976 119.093 4.883 1
1 312 . 12 1 1 A 28 28 GLN H H 367 8.349 8.536 -0.187 1
1 313 . 12 1 1 A 28 28 GLN HA H 367 4.283 3.951 0.332 1
1 320 . 12 1 1 A 28 28 GLN CA C 367 57.327 59.297 -1.970 1
1 321 . 12 1 1 A 28 28 GLN CB C 367 29.217 28.462 0.755 1
1 323 . 12 1 1 A 28 28 GLN N N 367 119.444 119.856 -0.412 1
1 325 . 12 1 1 A 29 29 ARG H H 368 7.635 7.838 -0.203 1
1 326 . 12 1 1 A 29 29 ARG HA H 368 4.169 3.986 0.183 1
1 333 . 12 1 1 A 29 29 ARG CA C 368 57.558 59.684 -2.126 1
1 334 . 12 1 1 A 29 29 ARG CB C 368 29.908 29.868 0.040 1
1 337 . 12 1 1 A 29 29 ARG N N 368 119.444 118.653 0.791 1
1 338 . 12 1 1 A 30 30 ARG H H 369 8.018 7.512 0.506 1
1 339 . 12 1 1 A 30 30 ARG HA H 369 4.260 4.078 0.182 1
1 346 . 12 1 1 A 30 30 ARG CA C 369 57.558 59.475 -1.917 1
1 347 . 12 1 1 A 30 30 ARG CB C 369 30.599 30.210 0.389 1
1 350 . 12 1 1 A 30 30 ARG N N 369 120.388 118.971 1.417 1
1 351 . 12 1 1 A 31 31 GLU H H 370 8.208 7.856 0.352 1
1 352 . 12 1 1 A 31 31 GLU HA H 370 4.236 4.121 0.115 1
1 357 . 12 1 1 A 31 31 GLU CA C 370 57.788 59.048 -1.260 1
1 358 . 12 1 1 A 31 31 GLU CB C 370 30.369 29.396 0.973 1
1 360 . 12 1 1 A 31 31 GLU N N 370 120.388 119.687 0.701 1
1 361 . 12 1 1 A 32 32 GLN H H 371 8.165 8.173 -0.008 1
1 362 . 12 1 1 A 32 32 GLN HA H 371 4.313 4.034 0.279 1
1 367 . 12 1 1 A 32 32 GLN CA C 371 56.636 58.682 -2.046 1
1 368 . 12 1 1 A 32 32 GLN CB C 371 29.217 28.283 0.934 1
1 370 . 12 1 1 A 32 32 GLN N N 371 118.878 120.060 -1.182 1
1 371 . 12 1 1 A 33 33 ALA H H 372 8.095 7.761 0.334 1
1 372 . 12 1 1 A 33 33 ALA HA H 372 4.327 4.104 0.223 1
1 376 . 12 1 1 A 33 33 ALA CA C 372 53.180 54.209 -1.029 1
1 377 . 12 1 1 A 33 33 ALA CB C 372 19.079 19.384 -0.305 1
1 378 . 12 1 1 A 33 33 ALA N N 372 123.032 121.954 1.078 1
1 379 . 12 1 1 A 34 34 ASN H H 373 8.186 8.258 -0.072 1
1 380 . 12 1 1 A 34 34 ASN HA H 373 4.735 4.679 0.056 1
1 383 . 12 1 1 A 34 34 ASN CA C 373 53.410 52.943 0.467 1
1 384 . 12 1 1 A 34 34 ASN CB C 373 38.894 38.209 0.685 1
1 385 . 12 1 1 A 34 34 ASN N N 373 115.479 116.870 -1.391 1
1 386 . 12 1 1 A 35 35 GLY H H 374 8.266 8.673 -0.407 1
1 387 . 12 1 1 A 35 35 GLY HA2 H 374 3.943 3.967 -0.024 1
1 388 . 12 1 1 A 35 35 GLY HA3 H 374 4.044 3.968 0.076 1
1 389 . 12 1 1 A 35 35 GLY CA C 374 45.576 45.202 0.374 1
1 390 . 12 1 1 A 35 35 GLY N N 374 108.492 110.131 -1.639 1
1 391 . 12 1 1 A 36 36 GLU H H 375 8.132 8.078 0.054 1
1 392 . 12 1 1 A 36 36 GLU HA H 375 4.368 4.514 -0.146 1
1 397 . 12 1 1 A 36 36 GLU CA C 375 55.945 55.580 0.365 1
1 398 . 12 1 1 A 36 36 GLU CB C 375 30.369 30.771 -0.402 1
1 400 . 12 1 1 A 36 36 GLU N N 375 119.822 119.000 0.822 1
1 401 . 12 1 1 A 37 37 VAL H H 376 8.132 7.146 0.986 1
1 402 . 12 1 1 A 37 37 VAL HA H 376 4.139 3.927 0.212 1
1 410 . 12 1 1 A 37 37 VAL CA C 376 62.166 63.430 -1.264 1
1 411 . 12 1 1 A 37 37 VAL CB C 376 32.673 32.037 0.636 1
1 414 . 12 1 1 A 37 37 VAL N N 376 121.144 121.088 0.056 1
1 415 . 12 1 1 A 38 38 ARG H H 377 8.455 8.586 -0.131 1
1 416 . 12 1 1 A 38 38 ARG HA H 377 4.392 4.543 -0.151 1
1 423 . 12 1 1 A 38 38 ARG CA C 377 55.253 55.358 -0.105 1
1 424 . 12 1 1 A 38 38 ARG CB C 377 31.060 31.086 -0.026 1
1 427 . 12 1 1 A 38 38 ARG N N 377 125.109 127.708 -2.599 1
1 428 . 12 1 1 A 39 39 ALA H H 378 8.384 7.766 0.618 1
1 429 . 12 1 1 A 39 39 ALA HA H 378 4.287 3.965 0.322 1
1 433 . 12 1 1 A 39 39 ALA CA C 378 52.028 54.300 -2.272 1
1 434 . 12 1 1 A 39 39 ALA CB C 378 19.540 17.902 1.638 1
1 435 . 12 1 1 A 39 39 ALA N N 378 126.053 120.895 5.158 1
1 436 . 12 1 1 A 40 40 CYS H H 379 8.480 8.368 0.112 1
1 437 . 12 1 1 A 40 40 CYS HA H 379 4.344 5.088 -0.744 1
1 440 . 12 1 1 A 40 40 CYS CA C 379 60.092 57.976 2.116 1
1 441 . 12 1 1 A 40 40 CYS CB C 379 30.138 32.017 -1.879 1
1 442 . 12 1 1 A 40 40 CYS N N 379 123.787 117.854 5.933 1
1 443 . 12 1 1 A 41 41 SER HA H 380 4.588 4.669 -0.081 1
1 446 . 12 1 1 A 41 41 SER CA C 380 57.788 57.913 -0.125 1
1 447 . 12 1 1 A 41 41 SER CB C 380 63.779 65.392 -1.613 1
1 448 . 12 1 1 A 42 42 LEU H H 381 8.642 6.887 1.755 1
1 449 . 12 1 1 A 42 42 LEU HA H 381 4.488 4.340 0.148 1
1 459 . 12 1 1 A 42 42 LEU CA C 381 53.871 52.951 0.920 1
1 460 . 12 1 1 A 42 42 LEU CB C 381 41.659 42.817 -1.158 1
1 464 . 12 1 1 A 42 42 LEU N N 381 129.074 123.916 5.158 1
1 465 . 12 1 1 A 43 43 PRO HA H 382 4.095 4.091 0.004 1
1 472 . 12 1 1 A 43 43 PRO CA C 382 64.470 65.094 -0.624 1
1 473 . 12 1 1 A 43 43 PRO CB C 382 31.751 31.607 0.144 1
1 476 . 12 1 1 A 44 44 HIS H H 383 8.014 8.010 0.004 1
1 477 . 12 1 1 A 44 44 HIS HA H 383 4.527 4.956 -0.429 1
1 482 . 12 1 1 A 44 44 HIS CA C 383 58.249 55.103 3.146 1
1 483 . 12 1 1 A 44 44 HIS CB C 383 30.369 30.148 0.221 1
1 486 . 12 1 1 A 44 44 HIS N N 383 110.569 113.499 -2.930 1
1 487 . 12 1 1 A 45 45 CYS H H 384 7.729 7.824 -0.095 1
1 488 . 12 1 1 A 45 45 CYS HA H 384 4.023 3.907 0.116 1
1 491 . 12 1 1 A 45 45 CYS CA C 384 64.470 62.663 1.807 1
1 492 . 12 1 1 A 45 45 CYS CB C 384 28.756 26.596 2.160 1
1 493 . 12 1 1 A 45 45 CYS N N 384 124.165 120.657 3.508 1
1 494 . 12 1 1 A 46 46 ARG H H 385 8.239 8.098 0.141 1
1 495 . 12 1 1 A 46 46 ARG HA H 385 3.978 4.119 -0.141 1
1 502 . 12 1 1 A 46 46 ARG CA C 385 59.401 58.787 0.614 1
1 503 . 12 1 1 A 46 46 ARG CB C 385 28.986 30.235 -1.249 1
1 506 . 12 1 1 A 46 46 ARG N N 385 116.612 119.342 -2.730 1
1 507 . 12 1 1 A 47 47 THR H H 386 7.496 8.201 -0.705 1
1 508 . 12 1 1 A 47 47 THR HA H 386 4.008 3.914 0.094 1
1 513 . 12 1 1 A 47 47 THR CA C 386 65.853 67.066 -1.213 1
1 514 . 12 1 1 A 47 47 THR CB C 386 68.387 68.627 -0.240 1
1 516 . 12 1 1 A 47 47 THR N N 386 114.346 116.442 -2.096 1
1 517 . 12 1 1 A 48 48 MET H H 387 8.216 8.177 0.039 1
1 518 . 12 1 1 A 48 48 MET HA H 387 4.622 4.028 0.594 1
1 526 . 12 1 1 A 48 48 MET CA C 387 56.636 59.342 -2.706 1
1 527 . 12 1 1 A 48 48 MET CB C 387 31.291 32.895 -1.604 1
1 530 . 12 1 1 A 48 48 MET N N 387 119.444 118.330 1.114 1
1 531 . 12 1 1 A 49 49 LYS H H 388 9.306 8.303 1.003 1
1 532 . 12 1 1 A 49 49 LYS HA H 388 3.923 3.925 -0.002 1
1 541 . 12 1 1 A 49 49 LYS CA C 388 61.244 60.401 0.843 1
1 542 . 12 1 1 A 49 49 LYS CB C 388 32.903 32.368 0.535 1
1 546 . 12 1 1 A 49 49 LYS N N 388 122.276 118.169 4.107 1
1 547 . 12 1 1 A 50 50 ASN H H 389 8.069 8.074 -0.005 1
1 548 . 12 1 1 A 50 50 ASN HA H 389 4.629 4.628 0.001 1
1 553 . 12 1 1 A 50 50 ASN CA C 389 56.175 56.159 0.016 1
1 554 . 12 1 1 A 50 50 ASN CB C 389 37.512 38.519 -1.007 1
1 555 . 12 1 1 A 50 50 ASN N N 389 117.178 117.978 -0.800 1
1 557 . 12 1 1 A 51 51 VAL H H 390 8.116 7.797 0.319 1
1 558 . 12 1 1 A 51 51 VAL HA H 390 3.803 3.669 0.134 1
1 566 . 12 1 1 A 51 51 VAL CA C 390 67.235 66.568 0.667 1
1 567 . 12 1 1 A 51 51 VAL CB C 390 31.751 31.615 0.136 1
1 570 . 12 1 1 A 51 51 VAL N N 390 123.598 120.148 3.450 1
1 571 . 12 1 1 A 52 52 LEU H H 391 8.735 8.578 0.157 1
1 572 . 12 1 1 A 52 52 LEU HA H 391 4.123 4.045 0.078 1
1 582 . 12 1 1 A 52 52 LEU CA C 391 58.479 58.233 0.246 1
1 583 . 12 1 1 A 52 52 LEU CB C 391 41.659 41.532 0.127 1
1 587 . 12 1 1 A 52 52 LEU N N 391 120.955 119.675 1.280 1
1 588 . 12 1 1 A 53 53 ASN H H 392 8.231 8.551 -0.320 1
1 589 . 12 1 1 A 53 53 ASN HA H 392 4.561 4.419 0.142 1
1 594 . 12 1 1 A 53 53 ASN CA C 392 56.175 56.611 -0.436 1
1 595 . 12 1 1 A 53 53 ASN CB C 392 38.433 37.763 0.670 1
1 596 . 12 1 1 A 53 53 ASN N N 392 116.801 117.219 -0.418 1
1 598 . 12 1 1 A 54 54 HIS H H 393 8.049 8.381 -0.332 1
1 599 . 12 1 1 A 54 54 HIS HA H 393 4.418 4.338 0.080 1
1 604 . 12 1 1 A 54 54 HIS CA C 393 59.401 60.122 -0.721 1
1 605 . 12 1 1 A 54 54 HIS CB C 393 27.604 29.967 -2.363 1
1 608 . 12 1 1 A 54 54 HIS N N 393 120.011 120.690 -0.679 1
1 609 . 12 1 1 A 55 55 MET H H 394 9.118 8.645 0.473 1
1 610 . 12 1 1 A 55 55 MET HA H 394 3.704 3.984 -0.280 1
1 618 . 12 1 1 A 55 55 MET CA C 394 59.401 58.447 0.954 1
1 619 . 12 1 1 A 55 55 MET CB C 394 34.286 32.459 1.827 1
1 622 . 12 1 1 A 55 55 MET N N 394 119.066 116.987 2.079 1
1 623 . 12 1 1 A 56 56 THR H H 395 7.521 7.507 0.014 1
1 624 . 12 1 1 A 56 56 THR HA H 395 3.915 4.191 -0.276 1
1 629 . 12 1 1 A 56 56 THR CA C 395 65.392 63.725 1.667 1
1 630 . 12 1 1 A 56 56 THR CB C 395 69.309 67.911 1.398 1
1 632 . 12 1 1 A 56 56 THR N N 395 110.758 115.171 -4.413 1
1 633 . 12 1 1 A 57 57 HIS H H 396 7.023 7.913 -0.890 1
1 634 . 12 1 1 A 57 57 HIS HA H 396 4.846 4.697 0.149 1
1 639 . 12 1 1 A 57 57 HIS CA C 396 55.023 56.131 -1.108 1
1 640 . 12 1 1 A 57 57 HIS CB C 396 30.830 31.745 -0.915 1
1 643 . 12 1 1 A 57 57 HIS N N 396 115.668 116.164 -0.496 1
1 644 . 12 1 1 A 58 58 CYS H H 397 7.134 7.461 -0.327 1
1 645 . 12 1 1 A 58 58 CYS HA H 397 4.048 4.246 -0.198 1
1 648 . 12 1 1 A 58 58 CYS CA C 397 60.784 59.685 1.099 1
1 649 . 12 1 1 A 58 58 CYS CB C 397 29.678 28.317 1.361 1
1 650 . 12 1 1 A 58 58 CYS N N 397 123.598 118.582 5.016 1
1 651 . 12 1 1 A 59 59 GLN HA H 398 4.710 4.712 -0.002 1
1 656 . 12 1 1 A 59 59 GLN CA C 398 55.023 55.683 -0.660 1
1 657 . 12 1 1 A 59 59 GLN CB C 398 29.678 30.482 -0.804 1
1 659 . 12 1 1 A 60 60 ALA H H 399 8.689 7.434 1.255 1
1 660 . 12 1 1 A 60 60 ALA HA H 399 4.414 4.292 0.122 1
1 664 . 12 1 1 A 60 60 ALA CA C 399 52.949 51.912 1.037 1
1 665 . 12 1 1 A 60 60 ALA CB C 399 20.001 19.203 0.798 1
1 666 . 12 1 1 A 60 60 ALA N N 399 124.731 122.295 2.436 1
1 667 . 12 1 1 A 61 61 GLY H H 400 8.166 8.337 -0.171 1
1 668 . 12 1 1 A 61 61 GLY HA2 H 400 3.621 3.913 -0.292 1
1 669 . 12 1 1 A 61 61 GLY HA3 H 400 3.976 3.916 0.060 1
1 670 . 12 1 1 A 61 61 GLY CA C 400 46.267 46.514 -0.247 1
1 671 . 12 1 1 A 61 61 GLY N N 400 107.926 107.698 0.228 1
1 672 . 12 1 1 A 62 62 LYS HA H 401 4.138 4.384 -0.246 1
1 673 . 12 1 1 A 62 62 LYS CA C 401 58.479 56.693 1.786 1
1 674 . 12 1 1 A 63 63 ALA H H 402 7.671 7.558 0.113 1
1 675 . 12 1 1 A 63 63 ALA HA H 402 4.448 4.521 -0.073 1
1 679 . 12 1 1 A 63 63 ALA CA C 402 51.336 51.321 0.015 1
1 680 . 12 1 1 A 63 63 ALA CB C 402 19.079 20.603 -1.524 1
1 681 . 12 1 1 A 63 63 ALA N N 402 119.444 121.872 -2.428 1
1 682 . 12 1 1 A 64 64 CYS H H 403 7.497 7.159 0.338 1
1 683 . 12 1 1 A 64 64 CYS HA H 403 3.857 4.357 -0.500 1
1 686 . 12 1 1 A 64 64 CYS CA C 403 62.396 59.603 2.793 1
1 687 . 12 1 1 A 64 64 CYS CB C 403 29.908 28.633 1.275 1
1 688 . 12 1 1 A 64 64 CYS N N 403 121.899 118.562 3.337 1
1 689 . 12 1 1 A 65 65 GLN H H 404 9.025 8.717 0.308 1
1 690 . 12 1 1 A 65 65 GLN HA H 404 4.463 4.152 0.311 1
1 697 . 12 1 1 A 65 65 GLN CA C 404 55.673 58.297 -2.624 1
1 698 . 12 1 1 A 65 65 GLN CB C 404 29.332 28.573 0.759 1
1 700 . 12 1 1 A 65 65 GLN N N 404 128.885 123.394 5.491 1
1 702 . 12 1 1 A 66 66 VAL H H 405 9.337 7.281 2.056 1
1 703 . 12 1 1 A 66 66 VAL HA H 405 3.631 4.164 -0.533 1
1 711 . 12 1 1 A 66 66 VAL CA C 405 64.240 62.641 1.599 1
1 712 . 12 1 1 A 66 66 VAL CB C 405 30.830 31.108 -0.278 1
1 715 . 12 1 1 A 66 66 VAL N N 405 127.752 119.883 7.869 1
1 716 . 12 1 1 A 67 67 ALA H H 406 8.581 8.658 -0.077 1
1 717 . 12 1 1 A 67 67 ALA HA H 406 3.761 3.902 -0.141 1
1 721 . 12 1 1 A 67 67 ALA CA C 406 54.101 55.400 -1.299 1
1 722 . 12 1 1 A 67 67 ALA CB C 406 17.467 18.029 -0.562 1
1 723 . 12 1 1 A 67 67 ALA N N 406 133.983 130.514 3.469 1
1 724 . 12 1 1 A 68 68 HIS H H 407 8.099 7.777 0.322 1
1 725 . 12 1 1 A 68 68 HIS HA H 407 4.407 4.314 0.093 1
1 730 . 12 1 1 A 68 68 HIS CA C 407 57.327 59.428 -2.101 1
1 731 . 12 1 1 A 68 68 HIS CB C 407 29.447 29.968 -0.521 1
1 734 . 12 1 1 A 68 68 HIS N N 407 110.569 115.433 -4.864 1
1 735 . 12 1 1 A 69 69 CYS H H 408 8.086 8.162 -0.076 1
1 736 . 12 1 1 A 69 69 CYS HA H 408 4.163 4.039 0.124 1
1 739 . 12 1 1 A 69 69 CYS CA C 408 64.240 62.349 1.891 1
1 740 . 12 1 1 A 69 69 CYS CB C 408 29.908 26.860 3.048 1
1 741 . 12 1 1 A 69 69 CYS N N 408 126.619 118.487 8.132 1
1 742 . 12 1 1 A 70 70 ALA H H 409 8.728 7.546 1.182 1
1 743 . 12 1 1 A 70 70 ALA HA H 409 4.333 4.035 0.298 1
1 747 . 12 1 1 A 70 70 ALA CA C 409 55.253 55.444 -0.191 1
1 748 . 12 1 1 A 70 70 ALA CB C 409 17.697 18.123 -0.426 1
1 749 . 12 1 1 A 70 70 ALA N N 409 118.689 123.213 -4.524 1
1 750 . 12 1 1 A 71 71 SER H H 410 9.179 7.649 1.530 1
1 751 . 12 1 1 A 71 71 SER HA H 410 4.138 4.094 0.044 1
1 754 . 12 1 1 A 71 71 SER CA C 410 60.323 61.879 -1.556 1
1 755 . 12 1 1 A 71 71 SER CB C 410 61.244 62.832 -1.588 1
1 756 . 12 1 1 A 71 71 SER N N 410 114.535 113.911 0.624 1
1 757 . 12 1 1 A 72 72 SER H H 411 7.937 8.324 -0.387 1
1 758 . 12 1 1 A 72 72 SER HA H 411 4.048 4.221 -0.173 1
1 762 . 12 1 1 A 72 72 SER CA C 411 64.240 61.569 2.671 1
1 763 . 12 1 1 A 72 72 SER CB C 411 62.396 62.877 -0.481 1
1 764 . 12 1 1 A 72 72 SER N N 411 120.766 117.143 3.623 1
1 765 . 12 1 1 A 73 73 ARG H H 412 8.835 8.241 0.594 1
1 766 . 12 1 1 A 73 73 ARG HA H 412 3.855 4.080 -0.225 1
1 773 . 12 1 1 A 73 73 ARG CA C 412 60.323 59.621 0.702 1
1 774 . 12 1 1 A 73 73 ARG CB C 412 30.369 30.039 0.330 1
1 777 . 12 1 1 A 73 73 ARG N N 412 122.276 121.771 0.505 1
1 778 . 12 1 1 A 74 74 GLN H H 413 7.873 7.538 0.335 1
1 779 . 12 1 1 A 74 74 GLN HA H 413 4.182 4.146 0.036 1
1 786 . 12 1 1 A 74 74 GLN CA C 413 58.710 58.660 0.050 1
1 787 . 12 1 1 A 74 74 GLN CB C 413 29.447 28.586 0.861 1
1 789 . 12 1 1 A 74 74 GLN N N 413 118.689 119.397 -0.708 1
1 791 . 12 1 1 A 75 75 ILE H H 414 8.754 8.251 0.503 1
1 792 . 12 1 1 A 75 75 ILE HA H 414 3.617 3.886 -0.269 1
1 802 . 12 1 1 A 75 75 ILE CA C 414 66.544 64.686 1.858 1
1 803 . 12 1 1 A 75 75 ILE CB C 414 38.664 37.709 0.955 1
1 807 . 12 1 1 A 75 75 ILE N N 414 121.710 119.613 2.097 1
1 808 . 12 1 1 A 76 76 ILE H H 415 8.856 8.404 0.452 1
1 809 . 12 1 1 A 76 76 ILE HA H 415 3.863 3.616 0.247 1
1 819 . 12 1 1 A 76 76 ILE CA C 415 64.701 65.467 -0.766 1
1 820 . 12 1 1 A 76 76 ILE CB C 415 37.051 37.575 -0.524 1
1 824 . 12 1 1 A 76 76 ILE N N 415 120.199 123.102 -2.903 1
1 825 . 12 1 1 A 77 77 SER H H 416 7.981 8.012 -0.031 1
1 826 . 12 1 1 A 77 77 SER HA H 416 4.153 4.236 -0.083 1
1 829 . 12 1 1 A 77 77 SER CA C 416 62.166 62.149 0.017 1
1 830 . 12 1 1 A 77 77 SER CB C 416 62.627 62.986 -0.359 1
1 831 . 12 1 1 A 77 77 SER N N 416 114.346 116.243 -1.897 1
1 832 . 12 1 1 A 78 78 HIS H H 417 8.126 7.559 0.567 1
1 833 . 12 1 1 A 78 78 HIS HA H 417 4.154 4.420 -0.266 1
1 838 . 12 1 1 A 78 78 HIS CA C 417 60.553 59.548 1.005 1
1 839 . 12 1 1 A 78 78 HIS CB C 417 28.065 30.027 -1.962 1
1 842 . 12 1 1 A 78 78 HIS N N 417 118.878 121.333 -2.455 1
1 843 . 12 1 1 A 79 79 TRP H H 418 8.417 8.336 0.081 1
1 844 . 12 1 1 A 79 79 TRP HA H 418 4.451 4.218 0.233 1
1 853 . 12 1 1 A 79 79 TRP CA C 418 59.862 60.164 -0.302 1
1 854 . 12 1 1 A 79 79 TRP CB C 418 30.369 29.720 0.649 1
1 860 . 12 1 1 A 79 79 TRP N N 418 119.255 121.340 -2.085 1
1 862 . 12 1 1 A 80 80 LYS H H 419 8.412 8.211 0.201 1
1 863 . 12 1 1 A 80 80 LYS HA H 419 3.714 3.997 -0.283 1
1 872 . 12 1 1 A 80 80 LYS CA C 419 58.710 58.652 0.058 1
1 873 . 12 1 1 A 80 80 LYS CB C 419 32.673 32.157 0.516 1
1 877 . 12 1 1 A 80 80 LYS N N 419 115.101 118.511 -3.410 1
1 878 . 12 1 1 A 81 81 ASN H H 420 7.416 7.642 -0.226 1
1 879 . 12 1 1 A 81 81 ASN HA H 420 4.713 4.748 -0.035 1
1 884 . 12 1 1 A 81 81 ASN CA C 420 53.410 53.924 -0.514 1
1 885 . 12 1 1 A 81 81 ASN CB C 420 40.737 41.234 -0.497 1
1 886 . 12 1 1 A 81 81 ASN N N 420 113.968 114.379 -0.411 1
1 888 . 12 1 1 A 82 82 CYS H H 421 7.617 7.570 0.047 1
1 889 . 12 1 1 A 82 82 CYS HA H 421 3.986 4.302 -0.316 1
1 892 . 12 1 1 A 82 82 CYS CA C 421 61.244 59.974 1.270 1
1 893 . 12 1 1 A 82 82 CYS CB C 421 28.756 28.089 0.667 1
1 894 . 12 1 1 A 82 82 CYS N N 421 124.354 118.179 6.175 1
1 895 . 12 1 1 A 83 83 THR H H 422 8.535 8.508 0.027 1
1 896 . 12 1 1 A 83 83 THR HA H 422 4.527 4.597 -0.070 1
1 901 . 12 1 1 A 83 83 THR CA C 422 60.553 61.597 -1.044 1
1 902 . 12 1 1 A 83 83 THR CB C 422 69.309 70.810 -1.501 1
1 904 . 12 1 1 A 83 83 THR N N 422 118.500 116.626 1.874 1
1 905 . 12 1 1 A 84 84 ARG HA H 423 4.448 4.236 0.212 1
1 912 . 12 1 1 A 84 84 ARG CA C 423 56.175 56.351 -0.176 1
1 913 . 12 1 1 A 84 84 ARG CB C 423 31.521 30.583 0.938 1
1 916 . 12 1 1 A 85 85 HIS HA H 424 4.391 4.468 -0.077 1
1 921 . 12 1 1 A 85 85 HIS CA C 424 58.479 58.253 0.226 1
1 922 . 12 1 1 A 85 85 HIS CB C 424 30.138 28.928 1.210 1
1 925 . 12 1 1 A 86 86 ASP H H 425 7.962 8.075 -0.113 1
1 926 . 12 1 1 A 86 86 ASP HA H 425 4.525 4.685 -0.160 1
1 929 . 12 1 1 A 86 86 ASP CA C 425 51.567 53.057 -1.490 1
1 930 . 12 1 1 A 86 86 ASP CB C 425 39.585 40.825 -1.240 1
1 931 . 12 1 1 A 86 86 ASP N N 425 116.612 116.452 0.160 1
1 932 . 12 1 1 A 87 87 CYS H H 426 6.974 7.091 -0.117 1
1 933 . 12 1 1 A 87 87 CYS HA H 426 4.247 4.387 -0.140 1
1 936 . 12 1 1 A 87 87 CYS CA C 426 57.558 57.840 -0.282 1
1 937 . 12 1 1 A 87 87 CYS CB C 426 31.291 28.729 2.562 1
1 938 . 12 1 1 A 87 87 CYS N N 426 122.276 120.685 1.591 1
1 939 . 12 1 1 A 88 88 PRO HA H 427 4.445 4.327 0.118 1
1 944 . 12 1 1 A 88 88 PRO CA C 427 64.009 64.637 -0.628 1
1 945 . 12 1 1 A 88 88 PRO CB C 427 32.558 31.924 0.634 1
1 947 . 12 1 1 A 89 89 VAL H H 428 8.460 7.799 0.661 1
1 948 . 12 1 1 A 89 89 VAL HA H 428 3.719 4.060 -0.341 1
1 956 . 12 1 1 A 89 89 VAL CA C 428 65.622 63.865 1.757 1
1 957 . 12 1 1 A 89 89 VAL CB C 428 33.134 33.084 0.050 1
1 960 . 12 1 1 A 89 89 VAL N N 428 119.822 114.634 5.188 1
1 961 . 12 1 1 A 90 90 CYS H H 429 8.729 7.787 0.942 1
1 962 . 12 1 1 A 90 90 CYS HA H 429 4.225 4.270 -0.045 1
1 965 . 12 1 1 A 90 90 CYS CA C 429 63.779 62.114 1.665 1
1 966 . 12 1 1 A 90 90 CYS CB C 429 31.291 26.417 4.874 1
1 967 . 12 1 1 A 90 90 CYS N N 429 118.878 118.157 0.721 1
1 968 . 12 1 1 A 91 91 LEU H H 430 7.907 8.136 -0.229 1
1 969 . 12 1 1 A 91 91 LEU HA H 430 4.214 4.124 0.090 1
1 979 . 12 1 1 A 91 91 LEU CA C 430 60.323 60.226 0.097 1
1 980 . 12 1 1 A 91 91 LEU CB C 430 39.125 40.290 -1.165 1
1 984 . 12 1 1 A 91 91 LEU N N 430 118.878 123.141 -4.263 1
1 985 . 12 1 1 A 92 92 PRO HA H 431 4.460 4.353 0.107 1
1 992 . 12 1 1 A 92 92 PRO CA C 431 65.161 65.675 -0.514 1
1 993 . 12 1 1 A 92 92 PRO CB C 431 31.291 30.771 0.520 1
1 996 . 12 1 1 A 93 93 LEU H H 432 7.459 7.473 -0.014 1
1 997 . 12 1 1 A 93 93 LEU HA H 432 4.359 3.884 0.475 1
1 1007 . 12 1 1 A 93 93 LEU CA C 432 55.945 57.449 -1.504 1
1 1008 . 12 1 1 A 93 93 LEU CB C 432 42.350 41.111 1.239 1
1 1012 . 12 1 1 A 93 93 LEU N N 432 115.290 116.872 -1.582 1
1 1013 . 12 1 1 A 94 94 LYS H H 433 7.975 8.643 -0.668 1
1 1014 . 12 1 1 A 94 94 LYS HA H 433 4.390 4.128 0.262 1
1 1022 . 12 1 1 A 94 94 LYS CA C 433 57.558 60.381 -2.823 1
1 1023 . 12 1 1 A 94 94 LYS CB C 433 33.134 32.198 0.936 1
1 1027 . 12 1 1 A 94 94 LYS N N 433 119.255 118.161 1.094 1
1 1028 . 12 1 1 A 95 95 ASN H H 434 8.368 8.367 0.001 1
1 1029 . 12 1 1 A 95 95 ASN HA H 434 4.733 4.490 0.243 1
1 1034 . 12 1 1 A 95 95 ASN CA C 434 53.410 56.545 -3.135 1
1 1035 . 12 1 1 A 95 95 ASN CB C 434 38.894 38.896 -0.002 1
1 1036 . 12 1 1 A 95 95 ASN N N 434 117.934 118.309 -0.375 1
1 1038 . 12 1 1 A 96 96 ALA H H 435 8.040 8.460 -0.420 1
1 1039 . 12 1 1 A 96 96 ALA HA H 435 4.376 4.075 0.301 1
1 1043 . 12 1 1 A 96 96 ALA CA C 435 52.949 54.478 -1.529 1
1 1044 . 12 1 1 A 96 96 ALA CB C 435 19.310 18.479 0.831 1
1 1045 . 12 1 1 A 96 96 ALA N N 435 123.221 121.399 1.822 1
1 1046 . 12 1 1 A 97 97 SER H H 436 8.138 7.874 0.264 1
1 1047 . 12 1 1 A 97 97 SER HA H 436 4.450 4.755 -0.305 1
1 1050 . 12 1 1 A 97 97 SER CA C 436 58.710 57.703 1.007 1
1 1051 . 12 1 1 A 97 97 SER CB C 436 63.779 64.140 -0.361 1
1 1052 . 12 1 1 A 97 97 SER N N 436 113.591 112.130 1.461 1
1 1053 . 12 1 1 A 98 98 ASP H H 437 8.214 8.077 0.137 1
1 1054 . 12 1 1 A 98 98 ASP HA H 437 4.662 4.974 -0.312 1
1 1057 . 12 1 1 A 98 98 ASP CA C 437 54.332 53.032 1.300 1
1 1058 . 12 1 1 A 98 98 ASP CB C 437 41.198 41.857 -0.659 1
1 1059 . 12 1 1 A 98 98 ASP N N 437 121.521 123.503 -1.982 1
1 1060 . 12 1 1 A 99 99 LYS H H 438 8.062 8.179 -0.117 1
1 1061 . 12 1 1 A 99 99 LYS HA H 438 4.363 4.162 0.201 1
1 1070 . 12 1 1 A 99 99 LYS CA C 438 55.945 58.360 -2.415 1
1 1071 . 12 1 1 A 99 99 LYS CB C 438 32.720 32.078 0.642 1
1 1075 . 12 1 1 A 99 99 LYS N N 438 121.144 123.239 -2.095 1
1 1092 . 12 2 2 B 2 2 SER HA H 783 4.524 4.654 -0.130 1
1 1095 . 12 2 2 B 2 2 SER CA C 783 58.053 58.022 0.031 1
1 1096 . 12 2 2 B 2 2 SER CB C 783 64.502 65.146 -0.644 1
1 1097 . 12 2 2 B 3 3 HIS HA H 784 4.721 5.022 -0.301 1
1 1102 . 12 2 2 B 3 3 HIS CA C 784 55.750 54.052 1.698 1
1 1103 . 12 2 2 B 3 3 HIS CB C 784 30.167 31.426 -1.259 1
1 1106 . 12 2 2 B 4 4 MET HA H 785 4.495 4.356 0.139 1
1 1114 . 12 2 2 B 4 4 MET CA C 785 55.058 56.347 -1.289 1
1 1115 . 12 2 2 B 4 4 MET CB C 785 32.727 33.318 -0.591 1
1 1118 . 12 2 2 B 5 5 VAL H H 786 8.163 8.662 -0.499 1
1 1119 . 12 2 2 B 5 5 VAL HA H 786 4.464 4.825 -0.361 1
1 1127 . 12 2 2 B 5 5 VAL CA C 786 59.478 58.006 1.472 1
1 1128 . 12 2 2 B 5 5 VAL CB C 786 32.606 34.309 -1.703 1
1 1131 . 12 2 2 B 5 5 VAL N N 786 122.854 118.610 4.244 1
1 1132 . 12 2 2 B 6 6 PRO HA H 787 4.437 4.501 -0.064 1
1 1137 . 12 2 2 B 6 6 PRO CA C 787 62.667 63.917 -1.250 1
1 1138 . 12 2 2 B 6 6 PRO CB C 787 32.010 31.307 0.703 1
1 1140 . 12 2 2 B 7 7 GLU H H 788 8.306 7.850 0.456 1
1 1141 . 12 2 2 B 7 7 GLU HA H 788 4.654 4.774 -0.120 1
1 1146 . 12 2 2 B 7 7 GLU CA C 788 53.568 53.653 -0.085 1
1 1147 . 12 2 2 B 7 7 GLU CB C 788 30.011 31.090 -1.079 1
1 1149 . 12 2 2 B 7 7 GLU N N 788 123.231 114.562 8.669 1
1 1150 . 12 2 2 B 8 8 PRO HA H 789 4.490 4.555 -0.065 1
1 1157 . 12 2 2 B 8 8 PRO CA C 789 62.253 62.639 -0.386 1
1 1158 . 12 2 2 B 8 8 PRO CB C 789 32.483 32.309 0.174 1
1 1161 . 12 2 2 B 9 9 ASP H H 790 8.272 8.362 -0.090 1
1 1162 . 12 2 2 B 9 9 ASP HA H 790 4.456 4.844 -0.388 1
1 1165 . 12 2 2 B 9 9 ASP CA C 790 54.137 53.654 0.483 1
1 1166 . 12 2 2 B 9 9 ASP CB C 790 41.016 40.613 0.403 1
1 1167 . 12 2 2 B 9 9 ASP N N 790 118.511 120.163 -1.652 1
1 1168 . 12 2 2 B 10 10 LEU H H 791 8.463 8.340 0.123 1
1 1169 . 12 2 2 B 10 10 LEU HA H 791 4.356 4.212 0.144 1
1 1179 . 12 2 2 B 10 10 LEU CA C 791 52.531 53.468 -0.937 1
1 1180 . 12 2 2 B 10 10 LEU CB C 791 42.609 42.846 -0.237 1
1 1184 . 12 2 2 B 10 10 LEU N N 791 121.343 126.559 -5.216 1
1 1185 . 12 2 2 B 11 11 PRO HA H 792 4.553 4.541 0.012 1
1 1192 . 12 2 2 B 11 11 PRO CA C 792 62.788 63.190 -0.402 1
1 1193 . 12 2 2 B 11 11 PRO CB C 792 32.716 32.314 0.402 1
1 1196 . 12 2 2 B 12 12 HIS HA H 793 3.989 4.151 -0.162 1
1 1201 . 12 2 2 B 12 12 HIS CA C 793 60.326 60.231 0.095 1
1 1202 . 12 2 2 B 12 12 HIS CB C 793 30.803 30.540 0.263 1
1 1205 . 12 2 2 B 13 13 ASP H H 794 8.938 8.905 0.033 1
1 1206 . 12 2 2 B 13 13 ASP HA H 794 4.460 4.201 0.259 1
1 1209 . 12 2 2 B 13 13 ASP CA C 794 54.581 56.798 -2.217 1
1 1210 . 12 2 2 B 13 13 ASP CB C 794 38.061 39.561 -1.500 1
1 1211 . 12 2 2 B 13 13 ASP N N 794 114.734 118.492 -3.758 1
1 1212 . 12 2 2 B 14 14 LEU H H 795 7.674 7.696 -0.022 1
1 1213 . 12 2 2 B 14 14 LEU HA H 795 4.546 4.277 0.269 1
1 1223 . 12 2 2 B 14 14 LEU CA C 795 53.478 55.581 -2.103 1
1 1224 . 12 2 2 B 14 14 LEU CB C 795 43.597 42.399 1.198 1
1 1228 . 12 2 2 B 14 14 LEU N N 795 116.056 119.514 -3.458 1
1 1229 . 12 2 2 B 15 15 ARG H H 796 7.225 8.000 -0.775 1
1 1230 . 12 2 2 B 15 15 ARG HA H 796 3.809 3.919 -0.110 1
1 1237 . 12 2 2 B 15 15 ARG CA C 796 58.744 59.647 -0.903 1
1 1238 . 12 2 2 B 15 15 ARG CB C 796 30.413 29.937 0.476 1
1 1241 . 12 2 2 B 15 15 ARG N N 796 116.434 119.514 -3.080 1
1 1242 . 12 2 2 B 16 16 HIS HA H 797 4.703 4.327 0.376 1
1 1247 . 12 2 2 B 16 16 HIS CA C 797 55.289 58.930 -3.641 1
1 1248 . 12 2 2 B 16 16 HIS CB C 797 29.538 30.178 -0.640 1
1 1251 . 12 2 2 B 17 17 LEU H H 798 6.982 7.423 -0.441 1
1 1252 . 12 2 2 B 17 17 LEU HA H 798 4.071 4.109 -0.038 1
1 1262 . 12 2 2 B 17 17 LEU CA C 798 54.807 54.614 0.193 1
1 1263 . 12 2 2 B 17 17 LEU CB C 798 42.206 41.643 0.563 1
1 1267 . 12 2 2 B 17 17 LEU N N 798 120.399 119.983 0.416 1
1 1268 . 12 2 2 B 18 18 ASN H H 799 8.789 8.716 0.073 1
1 1269 . 12 2 2 B 18 18 ASN HA H 799 4.857 4.863 -0.006 1
1 1274 . 12 2 2 B 18 18 ASN CA C 799 52.166 53.030 -0.864 1
1 1275 . 12 2 2 B 18 18 ASN CB C 799 37.842 39.142 -1.300 1
1 1276 . 12 2 2 B 18 18 ASN N N 799 121.343 123.585 -2.242 1
1 1278 . 12 2 2 B 19 19 THR H H 800 8.585 8.591 -0.006 1
1 1279 . 12 2 2 B 19 19 THR HA H 800 4.522 4.331 0.191 1
1 1284 . 12 2 2 B 19 19 THR CA C 800 62.143 63.950 -1.807 1
1 1285 . 12 2 2 B 19 19 THR CB C 800 68.865 68.660 0.205 1
1 1287 . 12 2 2 B 19 19 THR N N 800 115.301 118.769 -3.468 1
1 1288 . 12 2 2 B 20 20 GLU H H 801 8.415 8.413 0.002 1
1 1289 . 12 2 2 B 20 20 GLU HA H 801 4.337 4.148 0.189 1
1 1294 . 12 2 2 B 20 20 GLU CA C 801 61.496 62.319 -0.823 1
1 1295 . 12 2 2 B 20 20 GLU CB C 801 26.493 27.939 -1.446 1
1 1297 . 12 2 2 B 20 20 GLU N N 801 125.119 122.876 2.243 1
1 1298 . 12 2 2 B 21 21 PRO HA H 802 4.422 4.271 0.151 1
1 1305 . 12 2 2 B 21 21 PRO CA C 802 64.520 65.582 -1.062 1
1 1306 . 12 2 2 B 21 21 PRO CB C 802 31.355 30.469 0.886 1
1 1309 . 12 2 2 B 22 22 MET H H 803 7.303 7.627 -0.324 1
1 1310 . 12 2 2 B 22 22 MET HA H 803 4.062 4.115 -0.053 1
1 1318 . 12 2 2 B 22 22 MET CA C 803 55.686 57.792 -2.106 1
1 1319 . 12 2 2 B 22 22 MET CB C 803 33.481 31.851 1.630 1
1 1322 . 12 2 2 B 22 22 MET N N 803 110.769 115.372 -4.603 1
1 1323 . 12 2 2 B 23 23 GLU H H 804 7.624 7.795 -0.171 1
1 1324 . 12 2 2 B 23 23 GLU HA H 804 3.918 3.952 -0.034 1
1 1329 . 12 2 2 B 23 23 GLU CA C 804 59.221 59.117 0.104 1
1 1330 . 12 2 2 B 23 23 GLU CB C 804 28.993 29.354 -0.361 1
1 1332 . 12 2 2 B 23 23 GLU N N 804 118.699 118.303 0.396 1
1 1333 . 12 2 2 B 24 24 ILE H H 805 6.626 6.764 -0.138 1
1 1334 . 12 2 2 B 24 24 ILE HA H 805 3.999 3.703 0.296 1
1 1344 . 12 2 2 B 24 24 ILE CA C 805 62.734 63.749 -1.015 1
1 1345 . 12 2 2 B 24 24 ILE CB C 805 37.574 36.959 0.615 1
1 1349 . 12 2 2 B 24 24 ILE N N 805 111.524 116.245 -4.721 1
1 1350 . 12 2 2 B 25 25 PHE H H 806 7.515 7.284 0.231 1
1 1351 . 12 2 2 B 25 25 PHE HA H 806 4.524 4.413 0.111 1
1 1358 . 12 2 2 B 25 25 PHE CA C 806 55.760 60.765 -5.005 1
1 1359 . 12 2 2 B 25 25 PHE CB C 806 38.464 39.160 -0.696 1
1 1362 . 12 2 2 B 25 25 PHE N N 806 118.322 120.730 -2.408 1
1 1363 . 12 2 2 B 26 26 ARG H H 807 7.368 7.770 -0.402 1
1 1364 . 12 2 2 B 26 26 ARG HA H 807 4.024 4.111 -0.087 1
1 1371 . 12 2 2 B 26 26 ARG CA C 807 58.864 59.010 -0.146 1
1 1372 . 12 2 2 B 26 26 ARG CB C 807 30.872 29.916 0.956 1
1 1375 . 12 2 2 B 26 26 ARG N N 807 118.888 121.683 -2.795 1
1 1376 . 12 2 2 B 27 27 ASN H H 808 8.877 8.142 0.735 1
1 1377 . 12 2 2 B 27 27 ASN HA H 808 4.732 4.988 -0.256 1
1 1382 . 12 2 2 B 27 27 ASN CA C 808 53.413 52.031 1.382 1
1 1383 . 12 2 2 B 27 27 ASN CB C 808 38.244 39.059 -0.815 1
1 1384 . 12 2 2 B 27 27 ASN N N 808 117.000 113.646 3.354 1
1 1386 . 12 2 2 B 28 28 SER H H 809 7.969 8.004 -0.035 1
1 1387 . 12 2 2 B 28 28 SER HA H 809 4.440 4.728 -0.288 1
1 1390 . 12 2 2 B 28 28 SER CA C 809 60.606 57.933 2.673 1
1 1391 . 12 2 2 B 28 28 SER CB C 809 64.021 64.388 -0.367 1
1 1392 . 12 2 2 B 28 28 SER N N 809 114.356 115.101 -0.745 1
1 1393 . 12 2 2 B 29 29 VAL HA H 810 4.304 4.778 -0.474 1
1 1401 . 12 2 2 B 29 29 VAL CA C 810 60.803 60.437 0.366 1
1 1402 . 12 2 2 B 29 29 VAL CB C 810 34.232 36.569 -2.337 1
1 1405 . 12 2 2 B 30 30 LYS H H 811 8.707 8.544 0.163 1
1 1406 . 12 2 2 B 30 30 LYS HA H 811 4.552 4.707 -0.155 1
1 1415 . 12 2 2 B 30 30 LYS CA C 811 55.058 54.828 0.230 1
1 1416 . 12 2 2 B 30 30 LYS CB C 811 31.782 32.870 -1.088 1
1 1420 . 12 2 2 B 30 30 LYS N N 811 127.196 124.262 2.934 1
1 1421 . 12 2 2 B 31 31 ILE H H 812 8.604 8.320 0.284 1
1 1422 . 12 2 2 B 31 31 ILE HA H 812 3.662 3.729 -0.067 1
1 1432 . 12 2 2 B 31 31 ILE CA C 812 64.066 64.949 -0.883 1
1 1433 . 12 2 2 B 31 31 ILE CB C 812 37.726 37.721 0.005 1
1 1437 . 12 2 2 B 31 31 ILE N N 812 125.497 124.801 0.696 1
1 1438 . 12 2 2 B 32 32 GLU H H 813 9.330 8.254 1.076 1
1 1439 . 12 2 2 B 32 32 GLU HA H 813 4.162 4.150 0.012 1
1 1444 . 12 2 2 B 32 32 GLU CA C 813 58.096 58.194 -0.098 1
1 1445 . 12 2 2 B 32 32 GLU CB C 813 28.834 30.272 -1.438 1
1 1447 . 12 2 2 B 32 32 GLU N N 813 118.888 118.997 -0.109 1
1 1448 . 12 2 2 B 33 33 GLU H H 814 7.742 7.783 -0.041 1
1 1449 . 12 2 2 B 33 33 GLU HA H 814 4.334 4.429 -0.095 1
1 1454 . 12 2 2 B 33 33 GLU CA C 814 56.441 57.088 -0.647 1
1 1455 . 12 2 2 B 33 33 GLU CB C 814 30.396 30.618 -0.222 1
1 1457 . 12 2 2 B 33 33 GLU N N 814 117.566 117.343 0.223 1
1 1458 . 12 2 2 B 34 34 ILE H H 815 7.598 7.579 0.019 1
1 1459 . 12 2 2 B 34 34 ILE HA H 815 4.216 3.831 0.385 1
1 1469 . 12 2 2 B 34 34 ILE CA C 815 61.047 64.756 -3.709 1
1 1470 . 12 2 2 B 34 34 ILE CB C 815 38.712 38.059 0.653 1
1 1474 . 12 2 2 B 34 34 ILE N N 815 117.566 118.279 -0.713 1
1 1475 . 12 2 2 B 35 35 MET H H 816 8.177 7.543 0.634 1
1 1476 . 12 2 2 B 35 35 MET HA H 816 4.733 4.502 0.231 1
1 1484 . 12 2 2 B 35 35 MET CA C 816 53.461 53.755 -0.294 1
1 1485 . 12 2 2 B 35 35 MET CB C 816 32.025 33.628 -1.603 1
1 1488 . 12 2 2 B 35 35 MET N N 816 122.665 121.446 1.219 1
1 1489 . 12 2 2 B 36 36 PRO HA H 817 4.743 4.371 0.372 1
1 1496 . 12 2 2 B 36 36 PRO CA C 817 62.542 63.981 -1.439 1
1 1497 . 12 2 2 B 36 36 PRO CB C 817 34.328 31.918 2.410 1
1 1500 . 12 2 2 B 37 37 ASN H H 818 8.374 8.205 0.169 1
1 1501 . 12 2 2 B 37 37 ASN HA H 818 4.752 4.411 0.341 1
1 1504 . 12 2 2 B 37 37 ASN CA C 818 52.995 53.921 -0.926 1
1 1505 . 12 2 2 B 37 37 ASN CB C 818 38.705 36.149 2.556 1
1 1506 . 12 2 2 B 37 37 ASN N N 818 117.378 116.302 1.076 1
1 1507 . 12 2 2 B 38 38 GLY H H 819 8.314 8.271 0.043 1
1 1508 . 12 2 2 B 38 38 GLY HA2 H 819 3.937 4.170 -0.233 1
1 1509 . 12 2 2 B 38 38 GLY HA3 H 819 3.994 4.171 -0.177 1
1 1510 . 12 2 2 B 38 38 GLY CA C 819 45.006 45.866 -0.860 1
1 1511 . 12 2 2 B 38 38 GLY N N 819 108.881 106.852 2.029 1
1 1512 . 12 2 2 B 39 39 ASP H H 820 8.157 7.805 0.352 1
1 1513 . 12 2 2 B 39 39 ASP HA H 820 4.939 5.058 -0.119 1
1 1516 . 12 2 2 B 39 39 ASP CA C 820 51.896 51.139 0.757 1
1 1517 . 12 2 2 B 39 39 ASP CB C 820 41.672 43.904 -2.232 1
1 1518 . 12 2 2 B 39 39 ASP N N 820 121.154 118.165 2.989 1
1 1519 . 12 2 2 B 40 40 PRO HA H 821 4.483 4.428 0.055 1
1 1526 . 12 2 2 B 40 40 PRO CA C 821 63.351 64.466 -1.115 1
1 1527 . 12 2 2 B 40 40 PRO CB C 821 32.066 31.962 0.104 1
1 1530 . 12 2 2 B 41 41 LEU H H 822 8.440 7.582 0.858 1
1 1531 . 12 2 2 B 41 41 LEU HA H 822 4.262 4.083 0.179 1
1 1541 . 12 2 2 B 41 41 LEU CA C 822 55.539 57.043 -1.504 1
1 1542 . 12 2 2 B 41 41 LEU CB C 822 41.496 41.099 0.397 1
1 1546 . 12 2 2 B 41 41 LEU N N 822 119.644 118.381 1.263 1
1 1547 . 12 2 2 B 42 42 LEU H H 823 7.863 7.918 -0.055 1
1 1548 . 12 2 2 B 42 42 LEU HA H 823 4.353 3.929 0.424 1
1 1558 . 12 2 2 B 42 42 LEU CA C 823 54.598 57.670 -3.072 1
1 1559 . 12 2 2 B 42 42 LEU CB C 823 42.025 41.852 0.173 1
1 1563 . 12 2 2 B 42 42 LEU N N 823 120.399 120.972 -0.573 1
1 1564 . 12 2 2 B 43 43 ALA H H 824 8.022 7.949 0.073 1
1 1565 . 12 2 2 B 43 43 ALA HA H 824 4.330 4.050 0.280 1
1 1569 . 12 2 2 B 43 43 ALA CA C 824 52.539 55.455 -2.916 1
1 1570 . 12 2 2 B 43 43 ALA CB C 824 19.126 18.041 1.085 1
1 1571 . 12 2 2 B 43 43 ALA N N 824 123.420 120.898 2.522 1
1 1572 . 12 2 2 B 44 44 GLY H H 825 8.346 8.332 0.014 1
1 1573 . 12 2 2 B 44 44 GLY HA2 H 825 3.973 3.992 -0.019 1
1 1574 . 12 2 2 B 44 44 GLY HA3 H 825 3.973 3.996 -0.023 1
1 1575 . 12 2 2 B 44 44 GLY CA C 825 45.123 46.838 -1.715 1
1 1576 . 12 2 2 B 44 44 GLY N N 825 107.559 105.594 1.965 1
1 1577 . 12 2 2 B 45 45 GLN H H 826 8.204 7.904 0.300 1
1 1578 . 12 2 2 B 45 45 GLN HA H 826 4.377 4.516 -0.139 1
1 1585 . 12 2 2 B 45 45 GLN CA C 826 55.686 55.135 0.551 1
1 1586 . 12 2 2 B 45 45 GLN CB C 826 29.376 30.323 -0.947 1
1 1588 . 12 2 2 B 45 45 GLN N N 826 119.266 117.411 1.855 1
1 1590 . 12 2 2 B 46 46 ASN H H 827 8.556 7.975 0.581 1
1 1591 . 12 2 2 B 46 46 ASN HA H 827 4.824 4.889 -0.065 1
1 1596 . 12 2 2 B 46 46 ASN CA C 827 53.216 52.244 0.972 1
1 1597 . 12 2 2 B 46 46 ASN CB C 827 38.759 38.808 -0.049 1
1 1598 . 12 2 2 B 46 46 ASN N N 827 119.266 118.206 1.060 1
1 1600 . 12 2 2 B 47 47 THR H H 828 8.127 7.352 0.775 1
1 1601 . 12 2 2 B 47 47 THR HA H 828 4.414 4.909 -0.495 1
1 1606 . 12 2 2 B 47 47 THR CA C 828 61.564 59.000 2.564 1
1 1607 . 12 2 2 B 47 47 THR CB C 828 69.507 71.791 -2.284 1
1 1609 . 12 2 2 B 47 47 THR N N 828 113.790 111.401 2.389 1
1 1610 . 12 2 2 B 48 48 VAL H H 829 8.140 8.354 -0.214 1
1 1611 . 12 2 2 B 48 48 VAL HA H 829 4.091 3.780 0.311 1
1 1619 . 12 2 2 B 48 48 VAL CA C 829 62.146 61.884 0.262 1
1 1620 . 12 2 2 B 48 48 VAL CB C 829 32.515 32.732 -0.217 1
1 1623 . 12 2 2 B 48 48 VAL N N 829 120.776 118.754 2.022 1
1 1624 . 12 2 2 B 49 49 ASP H H 830 8.287 8.467 -0.180 1
1 1625 . 12 2 2 B 49 49 ASP HA H 830 4.617 5.093 -0.476 1
1 1628 . 12 2 2 B 49 49 ASP CA C 830 54.308 52.668 1.640 1
1 1629 . 12 2 2 B 49 49 ASP CB C 830 41.241 44.485 -3.244 1
1 1630 . 12 2 2 B 49 49 ASP N N 830 123.042 121.399 1.643 1
1 1631 . 12 2 2 B 50 50 GLU H H 831 8.242 9.055 -0.813 1
1 1632 . 12 2 2 B 50 50 GLU HA H 831 4.261 4.018 0.243 1
1 1637 . 12 2 2 B 50 50 GLU CA C 831 56.521 59.568 -3.047 1
1 1638 . 12 2 2 B 50 50 GLU CB C 831 30.209 29.350 0.859 1
1 1640 . 12 2 2 B 50 50 GLU N N 831 120.776 122.965 -2.189 1
1 1641 . 12 2 2 B 51 51 VAL H H 832 8.044 8.091 -0.047 1
1 1642 . 12 2 2 B 51 51 VAL HA H 832 3.988 3.938 0.050 1
1 1650 . 12 2 2 B 51 51 VAL CA C 832 62.472 64.020 -1.548 1
1 1651 . 12 2 2 B 51 51 VAL CB C 832 32.278 31.651 0.627 1
1 1654 . 12 2 2 B 51 51 VAL N N 832 120.021 119.381 0.640 1
1 1655 . 12 2 2 B 52 52 TYR H H 833 8.148 8.262 -0.114 1
1 1656 . 12 2 2 B 52 52 TYR HA H 833 4.598 4.659 -0.061 1
1 1663 . 12 2 2 B 52 52 TYR CA C 833 57.743 60.413 -2.670 1
1 1664 . 12 2 2 B 52 52 TYR CB C 833 38.702 39.123 -0.421 1
1 1667 . 12 2 2 B 52 52 TYR N N 833 122.854 122.264 0.590 1
1 1668 . 12 2 2 B 53 53 VAL H H 834 7.868 7.644 0.224 1
1 1669 . 12 2 2 B 53 53 VAL HA H 834 4.114 4.153 -0.039 1
1 1677 . 12 2 2 B 53 53 VAL CA C 834 61.508 63.680 -2.172 1
1 1678 . 12 2 2 B 53 53 VAL CB C 834 33.010 32.114 0.896 1
1 1681 . 12 2 2 B 53 53 VAL N N 834 121.721 116.523 5.198 1
1 1682 . 12 2 2 B 54 54 SER H H 835 8.237 7.675 0.562 1
1 1683 . 12 2 2 B 54 54 SER HA H 835 4.422 4.580 -0.158 1
1 1686 . 12 2 2 B 54 54 SER CA C 835 57.823 56.418 1.405 1
1 1687 . 12 2 2 B 54 54 SER CB C 835 63.437 65.230 -1.793 1
1 1688 . 12 2 2 B 54 54 SER N N 835 119.077 114.709 4.368 1
1 1689 . 12 2 2 B 55 55 ARG H H 836 8.284 8.314 -0.030 1
1 1690 . 12 2 2 B 55 55 ARG HA H 836 4.701 4.353 0.348 1
1 1697 . 12 2 2 B 55 55 ARG CA C 836 53.601 55.056 -1.455 1
1 1698 . 12 2 2 B 55 55 ARG CB C 836 30.394 30.332 0.062 1
1 1701 . 12 2 2 B 55 55 ARG N N 836 123.798 122.649 1.149 1
1 1702 . 12 2 2 B 56 56 PRO HA H 837 4.485 4.481 0.004 1
1 1709 . 12 2 2 B 56 56 PRO CA C 837 63.351 62.511 0.840 1
1 1710 . 12 2 2 B 56 56 PRO CB C 837 31.795 32.407 -0.612 1
1 7 . 13 1 1 A 2 2 THR HA H 341 4.462 4.156 0.306 1
1 12 . 13 1 1 A 2 2 THR CA C 341 61.936 64.507 -2.571 1
1 13 . 13 1 1 A 2 2 THR CB C 341 69.770 68.891 0.879 1
1 15 . 13 1 1 A 3 3 GLY HA2 H 342 4.141 4.056 0.085 1
1 16 . 13 1 1 A 3 3 GLY HA3 H 342 4.238 4.056 0.182 1
1 17 . 13 1 1 A 3 3 GLY CA C 342 44.424 45.012 -0.588 1
1 18 . 13 1 1 A 4 4 PRO HA H 343 4.567 4.407 0.160 1
1 25 . 13 1 1 A 4 4 PRO CA C 343 63.088 64.298 -1.210 1
1 26 . 13 1 1 A 4 4 PRO CB C 343 32.443 31.857 0.586 1
1 29 . 13 1 1 A 5 5 THR H H 344 8.284 8.016 0.268 1
1 30 . 13 1 1 A 5 5 THR HA H 344 4.342 4.716 -0.374 1
1 35 . 13 1 1 A 5 5 THR CA C 344 61.936 61.140 0.796 1
1 36 . 13 1 1 A 5 5 THR CB C 344 69.539 70.284 -0.745 1
1 38 . 13 1 1 A 5 5 THR N N 344 113.968 108.766 5.202 1
1 39 . 13 1 1 A 6 6 ALA H H 345 8.269 7.751 0.518 1
1 40 . 13 1 1 A 6 6 ALA HA H 345 4.434 4.886 -0.452 1
1 44 . 13 1 1 A 6 6 ALA CA C 345 52.028 50.976 1.052 1
1 45 . 13 1 1 A 6 6 ALA CB C 345 19.771 22.949 -3.178 1
1 46 . 13 1 1 A 6 6 ALA N N 345 126.619 122.818 3.801 1
1 47 . 13 1 1 A 7 7 ASP H H 346 8.454 8.572 -0.118 1
1 48 . 13 1 1 A 7 7 ASP HA H 346 4.917 5.026 -0.109 1
1 51 . 13 1 1 A 7 7 ASP CA C 346 52.719 51.398 1.321 1
1 52 . 13 1 1 A 7 7 ASP CB C 346 41.659 41.489 0.170 1
1 53 . 13 1 1 A 7 7 ASP N N 346 120.766 121.505 -0.739 1
1 54 . 13 1 1 A 8 8 PRO HA H 347 4.398 4.252 0.146 1
1 61 . 13 1 1 A 8 8 PRO CA C 347 64.931 65.360 -0.429 1
1 62 . 13 1 1 A 8 8 PRO CB C 347 32.388 31.763 0.625 1
1 65 . 13 1 1 A 9 9 GLU H H 348 8.113 7.714 0.399 1
1 66 . 13 1 1 A 9 9 GLU HA H 348 4.154 4.080 0.074 1
1 71 . 13 1 1 A 9 9 GLU CB C 348 30.138 29.192 0.946 1
1 73 . 13 1 1 A 9 9 GLU N N 348 116.423 118.104 -1.681 1
1 74 . 13 1 1 A 10 10 LYS H H 349 7.699 7.789 -0.090 1
1 75 . 13 1 1 A 10 10 LYS HA H 349 3.982 3.994 -0.012 1
1 84 . 13 1 1 A 10 10 LYS CA C 349 60.092 59.486 0.606 1
1 85 . 13 1 1 A 10 10 LYS CB C 349 32.558 32.068 0.490 1
1 89 . 13 1 1 A 10 10 LYS N N 349 119.255 119.747 -0.492 1
1 90 . 13 1 1 A 11 11 ARG H H 350 7.845 8.130 -0.285 1
1 91 . 13 1 1 A 11 11 ARG HA H 350 3.656 3.924 -0.268 1
1 98 . 13 1 1 A 11 11 ARG CA C 350 60.092 59.428 0.664 1
1 99 . 13 1 1 A 11 11 ARG CB C 350 28.295 29.930 -1.635 1
1 102 . 13 1 1 A 11 11 ARG N N 350 117.178 119.593 -2.415 1
1 103 . 13 1 1 A 12 12 LYS H H 351 7.888 7.552 0.336 1
1 104 . 13 1 1 A 12 12 LYS HA H 351 4.198 4.326 -0.128 1
1 109 . 13 1 1 A 12 12 LYS CA C 351 59.631 58.855 0.776 1
1 110 . 13 1 1 A 12 12 LYS CB C 351 32.673 32.148 0.525 1
1 112 . 13 1 1 A 12 12 LYS N N 351 117.745 119.329 -1.584 1
1 113 . 13 1 1 A 13 13 LEU H H 352 7.696 7.789 -0.093 1
1 114 . 13 1 1 A 13 13 LEU HA H 352 4.259 4.001 0.258 1
1 124 . 13 1 1 A 13 13 LEU CA C 352 58.019 57.934 0.085 1
1 125 . 13 1 1 A 13 13 LEU CB C 352 42.120 41.925 0.195 1
1 129 . 13 1 1 A 13 13 LEU N N 352 119.444 119.427 0.017 1
1 130 . 13 1 1 A 14 14 ILE H H 353 7.831 7.680 0.151 1
1 131 . 13 1 1 A 14 14 ILE HA H 353 3.648 3.775 -0.127 1
1 141 . 13 1 1 A 14 14 ILE CA C 353 65.392 64.295 1.097 1
1 142 . 13 1 1 A 14 14 ILE CB C 353 38.203 37.638 0.565 1
1 146 . 13 1 1 A 14 14 ILE N N 353 118.311 115.657 2.654 1
1 147 . 13 1 1 A 15 15 GLN H H 354 8.178 8.391 -0.213 1
1 148 . 13 1 1 A 15 15 GLN HA H 354 3.791 3.834 -0.043 1
1 155 . 13 1 1 A 15 15 GLN CA C 354 59.631 59.287 0.344 1
1 156 . 13 1 1 A 15 15 GLN CB C 354 30.369 28.178 2.191 1
1 158 . 13 1 1 A 15 15 GLN N N 354 116.423 121.111 -4.688 1
1 160 . 13 1 1 A 16 16 GLN H H 355 8.192 8.073 0.119 1
1 161 . 13 1 1 A 16 16 GLN HA H 355 3.799 4.083 -0.284 1
1 168 . 13 1 1 A 16 16 GLN CA C 355 59.171 59.003 0.168 1
1 169 . 13 1 1 A 16 16 GLN CB C 355 28.986 28.131 0.855 1
1 171 . 13 1 1 A 16 16 GLN N N 355 117.178 118.252 -1.074 1
1 173 . 13 1 1 A 17 17 GLN H H 356 7.970 7.820 0.150 1
1 174 . 13 1 1 A 17 17 GLN HA H 356 3.136 4.020 -0.884 1
1 181 . 13 1 1 A 17 17 GLN CA C 356 60.323 58.597 1.726 1
1 182 . 13 1 1 A 17 17 GLN CB C 356 27.143 28.164 -1.021 1
1 184 . 13 1 1 A 17 17 GLN N N 356 118.311 119.927 -1.616 1
1 186 . 13 1 1 A 18 18 LEU H H 357 8.408 8.053 0.355 1
1 187 . 13 1 1 A 18 18 LEU HA H 357 3.863 3.974 -0.111 1
1 197 . 13 1 1 A 18 18 LEU CA C 357 58.710 58.328 0.382 1
1 198 . 13 1 1 A 18 18 LEU CB C 357 40.968 41.645 -0.677 1
1 202 . 13 1 1 A 18 18 LEU N N 357 117.934 121.114 -3.180 1
1 203 . 13 1 1 A 19 19 VAL H H 358 8.544 7.999 0.545 1
1 204 . 13 1 1 A 19 19 VAL HA H 358 3.479 3.427 0.052 1
1 212 . 13 1 1 A 19 19 VAL CA C 358 66.544 66.810 -0.266 1
1 213 . 13 1 1 A 19 19 VAL CB C 358 31.060 31.402 -0.342 1
1 216 . 13 1 1 A 19 19 VAL N N 358 116.423 119.061 -2.638 1
1 217 . 13 1 1 A 20 20 LEU H H 359 7.820 7.998 -0.178 1
1 218 . 13 1 1 A 20 20 LEU HA H 359 3.952 3.982 -0.030 1
1 228 . 13 1 1 A 20 20 LEU CA C 359 58.019 57.974 0.045 1
1 229 . 13 1 1 A 20 20 LEU CB C 359 42.696 41.345 1.351 1
1 233 . 13 1 1 A 20 20 LEU N N 359 120.955 120.096 0.859 1
1 234 . 13 1 1 A 21 21 LEU H H 360 8.278 8.012 0.266 1
1 235 . 13 1 1 A 21 21 LEU HA H 360 3.868 4.053 -0.185 1
1 245 . 13 1 1 A 21 21 LEU CA C 360 58.710 58.063 0.647 1
1 246 . 13 1 1 A 21 21 LEU CB C 360 42.811 41.535 1.276 1
1 250 . 13 1 1 A 21 21 LEU N N 360 121.144 119.799 1.345 1
1 251 . 13 1 1 A 22 22 LEU H H 361 8.331 8.127 0.204 1
1 252 . 13 1 1 A 22 22 LEU HA H 361 3.919 3.921 -0.002 1
1 262 . 13 1 1 A 22 22 LEU CA C 361 57.788 58.167 -0.379 1
1 263 . 13 1 1 A 22 22 LEU CB C 361 41.083 41.021 0.062 1
1 267 . 13 1 1 A 22 22 LEU N N 361 118.500 118.089 0.411 1
1 268 . 13 1 1 A 23 23 HIS H H 362 8.620 8.548 0.072 1
1 269 . 13 1 1 A 23 23 HIS HA H 362 4.114 4.231 -0.117 1
1 274 . 13 1 1 A 23 23 HIS CA C 362 60.323 59.671 0.652 1
1 275 . 13 1 1 A 23 23 HIS CB C 362 27.834 29.763 -1.929 1
1 278 . 13 1 1 A 23 23 HIS N N 362 117.934 118.024 -0.090 1
1 279 . 13 1 1 A 24 24 ALA H H 363 9.049 8.502 0.547 1
1 280 . 13 1 1 A 24 24 ALA HA H 363 3.954 4.010 -0.056 1
1 284 . 13 1 1 A 24 24 ALA CA C 363 55.253 55.134 0.119 1
1 285 . 13 1 1 A 24 24 ALA CB C 363 19.079 17.995 1.084 1
1 286 . 13 1 1 A 24 24 ALA N N 363 121.710 120.623 1.087 1
1 287 . 13 1 1 A 25 25 HIS H H 364 7.955 7.892 0.063 1
1 288 . 13 1 1 A 25 25 HIS HA H 364 4.130 4.305 -0.175 1
1 293 . 13 1 1 A 25 25 HIS CA C 364 60.092 59.383 0.709 1
1 294 . 13 1 1 A 25 25 HIS CB C 364 31.060 29.636 1.424 1
1 297 . 13 1 1 A 25 25 HIS N N 364 115.856 117.777 -1.921 1
1 298 . 13 1 1 A 26 26 LYS H H 365 7.053 7.975 -0.922 1
1 299 . 13 1 1 A 26 26 LYS HA H 365 4.014 3.810 0.204 1
1 302 . 13 1 1 A 26 26 LYS CA C 365 57.788 59.354 -1.566 1
1 303 . 13 1 1 A 26 26 LYS CB C 365 32.903 31.777 1.126 1
1 304 . 13 1 1 A 26 26 LYS N N 365 117.178 116.935 0.243 1
1 305 . 13 1 1 A 27 27 CYS H H 366 8.592 8.179 0.413 1
1 306 . 13 1 1 A 27 27 CYS HA H 366 3.741 4.022 -0.281 1
1 309 . 13 1 1 A 27 27 CYS CA C 366 62.396 62.264 0.132 1
1 310 . 13 1 1 A 27 27 CYS CB C 366 29.678 26.878 2.800 1
1 311 . 13 1 1 A 27 27 CYS N N 366 123.976 119.215 4.761 1
1 312 . 13 1 1 A 28 28 GLN H H 367 8.349 8.325 0.024 1
1 313 . 13 1 1 A 28 28 GLN HA H 367 4.283 3.954 0.329 1
1 320 . 13 1 1 A 28 28 GLN CA C 367 57.327 59.244 -1.917 1
1 321 . 13 1 1 A 28 28 GLN CB C 367 29.217 28.559 0.658 1
1 323 . 13 1 1 A 28 28 GLN N N 367 119.444 120.373 -0.929 1
1 325 . 13 1 1 A 29 29 ARG H H 368 7.635 7.781 -0.146 1
1 326 . 13 1 1 A 29 29 ARG HA H 368 4.169 3.945 0.224 1
1 333 . 13 1 1 A 29 29 ARG CA C 368 57.558 59.184 -1.626 1
1 334 . 13 1 1 A 29 29 ARG CB C 368 29.908 29.825 0.083 1
1 337 . 13 1 1 A 29 29 ARG N N 368 119.444 118.428 1.016 1
1 338 . 13 1 1 A 30 30 ARG H H 369 8.018 8.078 -0.060 1
1 339 . 13 1 1 A 30 30 ARG HA H 369 4.260 4.044 0.216 1
1 346 . 13 1 1 A 30 30 ARG CA C 369 57.558 59.496 -1.938 1
1 347 . 13 1 1 A 30 30 ARG CB C 369 30.599 29.893 0.706 1
1 350 . 13 1 1 A 30 30 ARG N N 369 120.388 119.115 1.273 1
1 351 . 13 1 1 A 31 31 GLU H H 370 8.208 8.398 -0.190 1
1 352 . 13 1 1 A 31 31 GLU HA H 370 4.236 4.136 0.100 1
1 357 . 13 1 1 A 31 31 GLU CA C 370 57.788 59.016 -1.228 1
1 358 . 13 1 1 A 31 31 GLU CB C 370 30.369 29.174 1.195 1
1 360 . 13 1 1 A 31 31 GLU N N 370 120.388 119.934 0.454 1
1 361 . 13 1 1 A 32 32 GLN H H 371 8.165 7.880 0.285 1
1 362 . 13 1 1 A 32 32 GLN HA H 371 4.313 4.248 0.065 1
1 367 . 13 1 1 A 32 32 GLN CA C 371 56.636 58.087 -1.451 1
1 368 . 13 1 1 A 32 32 GLN CB C 371 29.217 29.724 -0.507 1
1 370 . 13 1 1 A 32 32 GLN N N 371 118.878 118.315 0.563 1
1 371 . 13 1 1 A 33 33 ALA H H 372 8.095 7.864 0.231 1
1 372 . 13 1 1 A 33 33 ALA HA H 372 4.327 4.117 0.210 1
1 376 . 13 1 1 A 33 33 ALA CA C 372 53.180 53.790 -0.610 1
1 377 . 13 1 1 A 33 33 ALA CB C 372 19.079 18.541 0.538 1
1 378 . 13 1 1 A 33 33 ALA N N 372 123.032 121.752 1.280 1
1 379 . 13 1 1 A 34 34 ASN H H 373 8.186 8.294 -0.108 1
1 380 . 13 1 1 A 34 34 ASN HA H 373 4.735 5.004 -0.269 1
1 383 . 13 1 1 A 34 34 ASN CA C 373 53.410 54.849 -1.439 1
1 384 . 13 1 1 A 34 34 ASN CB C 373 38.894 41.265 -2.371 1
1 385 . 13 1 1 A 34 34 ASN N N 373 115.479 115.330 0.149 1
1 386 . 13 1 1 A 35 35 GLY H H 374 8.266 8.042 0.224 1
1 387 . 13 1 1 A 35 35 GLY HA2 H 374 3.943 4.113 -0.170 1
1 388 . 13 1 1 A 35 35 GLY HA3 H 374 4.044 4.114 -0.070 1
1 389 . 13 1 1 A 35 35 GLY CA C 374 45.576 45.056 0.520 1
1 390 . 13 1 1 A 35 35 GLY N N 374 108.492 106.789 1.703 1
1 391 . 13 1 1 A 36 36 GLU H H 375 8.132 8.882 -0.750 1
1 392 . 13 1 1 A 36 36 GLU HA H 375 4.368 3.840 0.528 1
1 397 . 13 1 1 A 36 36 GLU CA C 375 55.945 57.547 -1.602 1
1 398 . 13 1 1 A 36 36 GLU CB C 375 30.369 27.777 2.592 1
1 400 . 13 1 1 A 36 36 GLU N N 375 119.822 118.195 1.627 1
1 401 . 13 1 1 A 37 37 VAL H H 376 8.132 7.806 0.326 1
1 402 . 13 1 1 A 37 37 VAL HA H 376 4.139 3.962 0.177 1
1 410 . 13 1 1 A 37 37 VAL CA C 376 62.166 63.698 -1.532 1
1 411 . 13 1 1 A 37 37 VAL CB C 376 32.673 31.950 0.723 1
1 414 . 13 1 1 A 37 37 VAL N N 376 121.144 119.820 1.324 1
1 415 . 13 1 1 A 38 38 ARG H H 377 8.455 8.993 -0.538 1
1 416 . 13 1 1 A 38 38 ARG HA H 377 4.392 4.717 -0.325 1
1 423 . 13 1 1 A 38 38 ARG CA C 377 55.253 56.434 -1.181 1
1 424 . 13 1 1 A 38 38 ARG CB C 377 31.060 33.104 -2.044 1
1 427 . 13 1 1 A 38 38 ARG N N 377 125.109 123.846 1.263 1
1 428 . 13 1 1 A 39 39 ALA H H 378 8.384 7.559 0.825 1
1 429 . 13 1 1 A 39 39 ALA HA H 378 4.287 4.597 -0.310 1
1 433 . 13 1 1 A 39 39 ALA CA C 378 52.028 51.566 0.462 1
1 434 . 13 1 1 A 39 39 ALA CB C 378 19.540 22.581 -3.041 1
1 435 . 13 1 1 A 39 39 ALA N N 378 126.053 117.637 8.416 1
1 436 . 13 1 1 A 40 40 CYS H H 379 8.480 8.821 -0.341 1
1 437 . 13 1 1 A 40 40 CYS HA H 379 4.344 4.988 -0.644 1
1 440 . 13 1 1 A 40 40 CYS CA C 379 60.092 57.547 2.545 1
1 441 . 13 1 1 A 40 40 CYS CB C 379 30.138 31.074 -0.936 1
1 442 . 13 1 1 A 40 40 CYS N N 379 123.787 117.212 6.575 1
1 443 . 13 1 1 A 41 41 SER HA H 380 4.588 4.571 0.017 1
1 446 . 13 1 1 A 41 41 SER CA C 380 57.788 58.513 -0.725 1
1 447 . 13 1 1 A 41 41 SER CB C 380 63.779 65.877 -2.098 1
1 448 . 13 1 1 A 42 42 LEU H H 381 8.642 6.993 1.649 1
1 449 . 13 1 1 A 42 42 LEU HA H 381 4.488 4.405 0.083 1
1 459 . 13 1 1 A 42 42 LEU CA C 381 53.871 53.084 0.787 1
1 460 . 13 1 1 A 42 42 LEU CB C 381 41.659 42.338 -0.679 1
1 464 . 13 1 1 A 42 42 LEU N N 381 129.074 122.147 6.927 1
1 465 . 13 1 1 A 43 43 PRO HA H 382 4.095 4.052 0.043 1
1 472 . 13 1 1 A 43 43 PRO CA C 382 64.470 63.688 0.782 1
1 473 . 13 1 1 A 43 43 PRO CB C 382 31.751 31.731 0.020 1
1 476 . 13 1 1 A 44 44 HIS H H 383 8.014 8.084 -0.070 1
1 477 . 13 1 1 A 44 44 HIS HA H 383 4.527 4.055 0.472 1
1 482 . 13 1 1 A 44 44 HIS CA C 383 58.249 57.386 0.863 1
1 483 . 13 1 1 A 44 44 HIS CB C 383 30.369 26.971 3.398 1
1 486 . 13 1 1 A 44 44 HIS N N 383 110.569 115.070 -4.501 1
1 487 . 13 1 1 A 45 45 CYS H H 384 7.729 7.754 -0.025 1
1 488 . 13 1 1 A 45 45 CYS HA H 384 4.023 3.948 0.075 1
1 491 . 13 1 1 A 45 45 CYS CA C 384 64.470 62.577 1.893 1
1 492 . 13 1 1 A 45 45 CYS CB C 384 28.756 26.576 2.180 1
1 493 . 13 1 1 A 45 45 CYS N N 384 124.165 118.507 5.658 1
1 494 . 13 1 1 A 46 46 ARG H H 385 8.239 8.128 0.111 1
1 495 . 13 1 1 A 46 46 ARG HA H 385 3.978 4.160 -0.182 1
1 502 . 13 1 1 A 46 46 ARG CA C 385 59.401 58.772 0.629 1
1 503 . 13 1 1 A 46 46 ARG CB C 385 28.986 29.833 -0.847 1
1 506 . 13 1 1 A 46 46 ARG N N 385 116.612 119.609 -2.997 1
1 507 . 13 1 1 A 47 47 THR H H 386 7.496 7.891 -0.395 1
1 508 . 13 1 1 A 47 47 THR HA H 386 4.008 3.897 0.111 1
1 513 . 13 1 1 A 47 47 THR CA C 386 65.853 67.046 -1.193 1
1 514 . 13 1 1 A 47 47 THR CB C 386 68.387 68.522 -0.135 1
1 516 . 13 1 1 A 47 47 THR N N 386 114.346 116.616 -2.270 1
1 517 . 13 1 1 A 48 48 MET H H 387 8.216 7.976 0.240 1
1 518 . 13 1 1 A 48 48 MET HA H 387 4.622 4.028 0.594 1
1 526 . 13 1 1 A 48 48 MET CA C 387 56.636 59.078 -2.442 1
1 527 . 13 1 1 A 48 48 MET CB C 387 31.291 32.806 -1.515 1
1 530 . 13 1 1 A 48 48 MET N N 387 119.444 118.353 1.091 1
1 531 . 13 1 1 A 49 49 LYS H H 388 9.306 8.206 1.100 1
1 532 . 13 1 1 A 49 49 LYS HA H 388 3.923 4.049 -0.126 1
1 541 . 13 1 1 A 49 49 LYS CA C 388 61.244 60.230 1.014 1
1 542 . 13 1 1 A 49 49 LYS CB C 388 32.903 32.439 0.464 1
1 546 . 13 1 1 A 49 49 LYS N N 388 122.276 118.646 3.630 1
1 547 . 13 1 1 A 50 50 ASN H H 389 8.069 7.944 0.125 1
1 548 . 13 1 1 A 50 50 ASN HA H 389 4.629 4.597 0.032 1
1 553 . 13 1 1 A 50 50 ASN CA C 389 56.175 56.143 0.032 1
1 554 . 13 1 1 A 50 50 ASN CB C 389 37.512 38.639 -1.127 1
1 555 . 13 1 1 A 50 50 ASN N N 389 117.178 117.949 -0.771 1
1 557 . 13 1 1 A 51 51 VAL H H 390 8.116 7.758 0.358 1
1 558 . 13 1 1 A 51 51 VAL HA H 390 3.803 3.690 0.113 1
1 566 . 13 1 1 A 51 51 VAL CA C 390 67.235 66.502 0.733 1
1 567 . 13 1 1 A 51 51 VAL CB C 390 31.751 31.616 0.135 1
1 570 . 13 1 1 A 51 51 VAL N N 390 123.598 119.826 3.772 1
1 571 . 13 1 1 A 52 52 LEU H H 391 8.735 8.534 0.201 1
1 572 . 13 1 1 A 52 52 LEU HA H 391 4.123 4.021 0.102 1
1 582 . 13 1 1 A 52 52 LEU CA C 391 58.479 58.242 0.237 1
1 583 . 13 1 1 A 52 52 LEU CB C 391 41.659 41.484 0.175 1
1 587 . 13 1 1 A 52 52 LEU N N 391 120.955 119.784 1.171 1
1 588 . 13 1 1 A 53 53 ASN H H 392 8.231 8.290 -0.059 1
1 589 . 13 1 1 A 53 53 ASN HA H 392 4.561 4.430 0.131 1
1 594 . 13 1 1 A 53 53 ASN CA C 392 56.175 56.617 -0.442 1
1 595 . 13 1 1 A 53 53 ASN CB C 392 38.433 37.984 0.449 1
1 596 . 13 1 1 A 53 53 ASN N N 392 116.801 116.873 -0.072 1
1 598 . 13 1 1 A 54 54 HIS H H 393 8.049 8.144 -0.095 1
1 599 . 13 1 1 A 54 54 HIS HA H 393 4.418 4.331 0.087 1
1 604 . 13 1 1 A 54 54 HIS CA C 393 59.401 60.222 -0.821 1
1 605 . 13 1 1 A 54 54 HIS CB C 393 27.604 30.244 -2.640 1
1 608 . 13 1 1 A 54 54 HIS N N 393 120.011 120.486 -0.475 1
1 609 . 13 1 1 A 55 55 MET H H 394 9.118 8.633 0.485 1
1 610 . 13 1 1 A 55 55 MET HA H 394 3.704 3.987 -0.283 1
1 618 . 13 1 1 A 55 55 MET CA C 394 59.401 58.329 1.072 1
1 619 . 13 1 1 A 55 55 MET CB C 394 34.286 32.442 1.844 1
1 622 . 13 1 1 A 55 55 MET N N 394 119.066 116.780 2.286 1
1 623 . 13 1 1 A 56 56 THR H H 395 7.521 7.669 -0.148 1
1 624 . 13 1 1 A 56 56 THR HA H 395 3.915 4.068 -0.153 1
1 629 . 13 1 1 A 56 56 THR CA C 395 65.392 64.793 0.599 1
1 630 . 13 1 1 A 56 56 THR CB C 395 69.309 68.292 1.017 1
1 632 . 13 1 1 A 56 56 THR N N 395 110.758 115.252 -4.494 1
1 633 . 13 1 1 A 57 57 HIS H H 396 7.023 7.817 -0.794 1
1 634 . 13 1 1 A 57 57 HIS HA H 396 4.846 4.711 0.135 1
1 639 . 13 1 1 A 57 57 HIS CA C 396 55.023 56.471 -1.448 1
1 640 . 13 1 1 A 57 57 HIS CB C 396 30.830 31.508 -0.678 1
1 643 . 13 1 1 A 57 57 HIS N N 396 115.668 115.470 0.198 1
1 644 . 13 1 1 A 58 58 CYS H H 397 7.134 7.538 -0.404 1
1 645 . 13 1 1 A 58 58 CYS HA H 397 4.048 4.168 -0.120 1
1 648 . 13 1 1 A 58 58 CYS CA C 397 60.784 60.050 0.734 1
1 649 . 13 1 1 A 58 58 CYS CB C 397 29.678 27.664 2.014 1
1 650 . 13 1 1 A 58 58 CYS N N 397 123.598 118.594 5.004 1
1 651 . 13 1 1 A 59 59 GLN HA H 398 4.710 4.730 -0.020 1
1 656 . 13 1 1 A 59 59 GLN CA C 398 55.023 54.875 0.148 1
1 657 . 13 1 1 A 59 59 GLN CB C 398 29.678 28.937 0.741 1
1 659 . 13 1 1 A 60 60 ALA H H 399 8.689 7.320 1.369 1
1 660 . 13 1 1 A 60 60 ALA HA H 399 4.414 4.242 0.172 1
1 664 . 13 1 1 A 60 60 ALA CA C 399 52.949 52.415 0.534 1
1 665 . 13 1 1 A 60 60 ALA CB C 399 20.001 19.473 0.528 1
1 666 . 13 1 1 A 60 60 ALA N N 399 124.731 123.320 1.411 1
1 667 . 13 1 1 A 61 61 GLY H H 400 8.166 7.901 0.265 1
1 668 . 13 1 1 A 61 61 GLY HA2 H 400 3.621 3.877 -0.256 1
1 669 . 13 1 1 A 61 61 GLY HA3 H 400 3.976 3.878 0.098 1
1 670 . 13 1 1 A 61 61 GLY CA C 400 46.267 46.624 -0.357 1
1 671 . 13 1 1 A 61 61 GLY N N 400 107.926 106.852 1.074 1
1 672 . 13 1 1 A 62 62 LYS HA H 401 4.138 4.064 0.074 1
1 673 . 13 1 1 A 62 62 LYS CA C 401 58.479 57.630 0.849 1
1 674 . 13 1 1 A 63 63 ALA H H 402 7.671 7.966 -0.295 1
1 675 . 13 1 1 A 63 63 ALA HA H 402 4.448 4.519 -0.071 1
1 679 . 13 1 1 A 63 63 ALA CA C 402 51.336 51.399 -0.063 1
1 680 . 13 1 1 A 63 63 ALA CB C 402 19.079 20.581 -1.502 1
1 681 . 13 1 1 A 63 63 ALA N N 402 119.444 119.434 0.010 1
1 682 . 13 1 1 A 64 64 CYS H H 403 7.497 7.619 -0.122 1
1 683 . 13 1 1 A 64 64 CYS HA H 403 3.857 4.427 -0.570 1
1 686 . 13 1 1 A 64 64 CYS CA C 403 62.396 59.194 3.202 1
1 687 . 13 1 1 A 64 64 CYS CB C 403 29.908 29.017 0.891 1
1 688 . 13 1 1 A 64 64 CYS N N 403 121.899 118.715 3.184 1
1 689 . 13 1 1 A 65 65 GLN H H 404 9.025 8.695 0.330 1
1 690 . 13 1 1 A 65 65 GLN HA H 404 4.463 4.204 0.259 1
1 697 . 13 1 1 A 65 65 GLN CA C 404 55.673 57.674 -2.001 1
1 698 . 13 1 1 A 65 65 GLN CB C 404 29.332 29.159 0.173 1
1 700 . 13 1 1 A 65 65 GLN N N 404 128.885 122.662 6.223 1
1 702 . 13 1 1 A 66 66 VAL H H 405 9.337 7.176 2.161 1
1 703 . 13 1 1 A 66 66 VAL HA H 405 3.631 4.077 -0.446 1
1 711 . 13 1 1 A 66 66 VAL CA C 405 64.240 63.156 1.084 1
1 712 . 13 1 1 A 66 66 VAL CB C 405 30.830 31.161 -0.331 1
1 715 . 13 1 1 A 66 66 VAL N N 405 127.752 120.125 7.627 1
1 716 . 13 1 1 A 67 67 ALA H H 406 8.581 8.771 -0.190 1
1 717 . 13 1 1 A 67 67 ALA HA H 406 3.761 3.915 -0.154 1
1 721 . 13 1 1 A 67 67 ALA CA C 406 54.101 55.346 -1.245 1
1 722 . 13 1 1 A 67 67 ALA CB C 406 17.467 18.186 -0.719 1
1 723 . 13 1 1 A 67 67 ALA N N 406 133.983 129.596 4.387 1
1 724 . 13 1 1 A 68 68 HIS H H 407 8.099 7.576 0.523 1
1 725 . 13 1 1 A 68 68 HIS HA H 407 4.407 4.389 0.018 1
1 730 . 13 1 1 A 68 68 HIS CA C 407 57.327 58.350 -1.023 1
1 731 . 13 1 1 A 68 68 HIS CB C 407 29.447 30.194 -0.747 1
1 734 . 13 1 1 A 68 68 HIS N N 407 110.569 114.386 -3.817 1
1 735 . 13 1 1 A 69 69 CYS H H 408 8.086 8.151 -0.065 1
1 736 . 13 1 1 A 69 69 CYS HA H 408 4.163 4.047 0.116 1
1 739 . 13 1 1 A 69 69 CYS CA C 408 64.240 62.658 1.582 1
1 740 . 13 1 1 A 69 69 CYS CB C 408 29.908 26.828 3.080 1
1 741 . 13 1 1 A 69 69 CYS N N 408 126.619 118.627 7.992 1
1 742 . 13 1 1 A 70 70 ALA H H 409 8.728 8.077 0.651 1
1 743 . 13 1 1 A 70 70 ALA HA H 409 4.333 4.024 0.309 1
1 747 . 13 1 1 A 70 70 ALA CA C 409 55.253 55.520 -0.267 1
1 748 . 13 1 1 A 70 70 ALA CB C 409 17.697 18.167 -0.470 1
1 749 . 13 1 1 A 70 70 ALA N N 409 118.689 123.225 -4.536 1
1 750 . 13 1 1 A 71 71 SER H H 410 9.179 8.090 1.089 1
1 751 . 13 1 1 A 71 71 SER HA H 410 4.138 4.107 0.031 1
1 754 . 13 1 1 A 71 71 SER CA C 410 60.323 61.902 -1.579 1
1 755 . 13 1 1 A 71 71 SER CB C 410 61.244 62.893 -1.649 1
1 756 . 13 1 1 A 71 71 SER N N 410 114.535 113.881 0.654 1
1 757 . 13 1 1 A 72 72 SER H H 411 7.937 8.308 -0.371 1
1 758 . 13 1 1 A 72 72 SER HA H 411 4.048 4.179 -0.131 1
1 762 . 13 1 1 A 72 72 SER CA C 411 64.240 61.572 2.668 1
1 763 . 13 1 1 A 72 72 SER CB C 411 62.396 62.863 -0.467 1
1 764 . 13 1 1 A 72 72 SER N N 411 120.766 117.423 3.343 1
1 765 . 13 1 1 A 73 73 ARG H H 412 8.835 8.186 0.649 1
1 766 . 13 1 1 A 73 73 ARG HA H 412 3.855 3.967 -0.112 1
1 773 . 13 1 1 A 73 73 ARG CA C 412 60.323 59.802 0.521 1
1 774 . 13 1 1 A 73 73 ARG CB C 412 30.369 29.828 0.541 1
1 777 . 13 1 1 A 73 73 ARG N N 412 122.276 121.269 1.007 1
1 778 . 13 1 1 A 74 74 GLN H H 413 7.873 7.380 0.493 1
1 779 . 13 1 1 A 74 74 GLN HA H 413 4.182 4.171 0.011 1
1 786 . 13 1 1 A 74 74 GLN CA C 413 58.710 58.501 0.209 1
1 787 . 13 1 1 A 74 74 GLN CB C 413 29.447 28.575 0.872 1
1 789 . 13 1 1 A 74 74 GLN N N 413 118.689 118.665 0.024 1
1 791 . 13 1 1 A 75 75 ILE H H 414 8.754 8.454 0.300 1
1 792 . 13 1 1 A 75 75 ILE HA H 414 3.617 3.992 -0.375 1
1 802 . 13 1 1 A 75 75 ILE CA C 414 66.544 64.490 2.054 1
1 803 . 13 1 1 A 75 75 ILE CB C 414 38.664 37.352 1.312 1
1 807 . 13 1 1 A 75 75 ILE N N 414 121.710 120.114 1.596 1
1 808 . 13 1 1 A 76 76 ILE H H 415 8.856 8.237 0.619 1
1 809 . 13 1 1 A 76 76 ILE HA H 415 3.863 3.678 0.185 1
1 819 . 13 1 1 A 76 76 ILE CA C 415 64.701 65.226 -0.525 1
1 820 . 13 1 1 A 76 76 ILE CB C 415 37.051 37.703 -0.652 1
1 824 . 13 1 1 A 76 76 ILE N N 415 120.199 122.761 -2.562 1
1 825 . 13 1 1 A 77 77 SER H H 416 7.981 8.132 -0.151 1
1 826 . 13 1 1 A 77 77 SER HA H 416 4.153 4.118 0.035 1
1 829 . 13 1 1 A 77 77 SER CA C 416 62.166 62.540 -0.374 1
1 830 . 13 1 1 A 77 77 SER CB C 416 62.627 63.275 -0.648 1
1 831 . 13 1 1 A 77 77 SER N N 416 114.346 116.439 -2.093 1
1 832 . 13 1 1 A 78 78 HIS H H 417 8.126 7.592 0.534 1
1 833 . 13 1 1 A 78 78 HIS HA H 417 4.154 4.463 -0.309 1
1 838 . 13 1 1 A 78 78 HIS CA C 417 60.553 59.556 0.997 1
1 839 . 13 1 1 A 78 78 HIS CB C 417 28.065 30.280 -2.215 1
1 842 . 13 1 1 A 78 78 HIS N N 417 118.878 120.871 -1.993 1
1 843 . 13 1 1 A 79 79 TRP H H 418 8.417 7.957 0.460 1
1 844 . 13 1 1 A 79 79 TRP HA H 418 4.451 4.258 0.193 1
1 853 . 13 1 1 A 79 79 TRP CA C 418 59.862 60.362 -0.500 1
1 854 . 13 1 1 A 79 79 TRP CB C 418 30.369 29.850 0.519 1
1 860 . 13 1 1 A 79 79 TRP N N 418 119.255 121.371 -2.116 1
1 862 . 13 1 1 A 80 80 LYS H H 419 8.412 8.207 0.205 1
1 863 . 13 1 1 A 80 80 LYS HA H 419 3.714 3.936 -0.222 1
1 872 . 13 1 1 A 80 80 LYS CA C 419 58.710 58.185 0.525 1
1 873 . 13 1 1 A 80 80 LYS CB C 419 32.673 32.286 0.387 1
1 877 . 13 1 1 A 80 80 LYS N N 419 115.101 118.213 -3.112 1
1 878 . 13 1 1 A 81 81 ASN H H 420 7.416 7.821 -0.405 1
1 879 . 13 1 1 A 81 81 ASN HA H 420 4.713 4.753 -0.040 1
1 884 . 13 1 1 A 81 81 ASN CA C 420 53.410 53.689 -0.279 1
1 885 . 13 1 1 A 81 81 ASN CB C 420 40.737 41.000 -0.263 1
1 886 . 13 1 1 A 81 81 ASN N N 420 113.968 114.886 -0.918 1
1 888 . 13 1 1 A 82 82 CYS H H 421 7.617 7.536 0.081 1
1 889 . 13 1 1 A 82 82 CYS HA H 421 3.986 4.247 -0.261 1
1 892 . 13 1 1 A 82 82 CYS CA C 421 61.244 60.064 1.180 1
1 893 . 13 1 1 A 82 82 CYS CB C 421 28.756 27.893 0.863 1
1 894 . 13 1 1 A 82 82 CYS N N 421 124.354 118.465 5.889 1
1 895 . 13 1 1 A 83 83 THR H H 422 8.535 8.616 -0.081 1
1 896 . 13 1 1 A 83 83 THR HA H 422 4.527 4.646 -0.119 1
1 901 . 13 1 1 A 83 83 THR CA C 422 60.553 61.285 -0.732 1
1 902 . 13 1 1 A 83 83 THR CB C 422 69.309 70.579 -1.270 1
1 904 . 13 1 1 A 83 83 THR N N 422 118.500 116.460 2.040 1
1 905 . 13 1 1 A 84 84 ARG HA H 423 4.448 4.440 0.008 1
1 912 . 13 1 1 A 84 84 ARG CA C 423 56.175 55.922 0.253 1
1 913 . 13 1 1 A 84 84 ARG CB C 423 31.521 30.785 0.736 1
1 916 . 13 1 1 A 85 85 HIS HA H 424 4.391 4.127 0.264 1
1 921 . 13 1 1 A 85 85 HIS CA C 424 58.479 60.454 -1.975 1
1 922 . 13 1 1 A 85 85 HIS CB C 424 30.138 29.909 0.229 1
1 925 . 13 1 1 A 86 86 ASP H H 425 7.962 8.305 -0.343 1
1 926 . 13 1 1 A 86 86 ASP HA H 425 4.525 4.440 0.085 1
1 929 . 13 1 1 A 86 86 ASP CA C 425 51.567 53.620 -2.053 1
1 930 . 13 1 1 A 86 86 ASP CB C 425 39.585 39.890 -0.305 1
1 931 . 13 1 1 A 86 86 ASP N N 425 116.612 114.298 2.314 1
1 932 . 13 1 1 A 87 87 CYS H H 426 6.974 7.164 -0.190 1
1 933 . 13 1 1 A 87 87 CYS HA H 426 4.247 4.449 -0.202 1
1 936 . 13 1 1 A 87 87 CYS CA C 426 57.558 57.809 -0.251 1
1 937 . 13 1 1 A 87 87 CYS CB C 426 31.291 28.681 2.610 1
1 938 . 13 1 1 A 87 87 CYS N N 426 122.276 120.741 1.535 1
1 939 . 13 1 1 A 88 88 PRO HA H 427 4.445 4.334 0.111 1
1 944 . 13 1 1 A 88 88 PRO CA C 427 64.009 65.078 -1.069 1
1 945 . 13 1 1 A 88 88 PRO CB C 427 32.558 32.018 0.540 1
1 947 . 13 1 1 A 89 89 VAL H H 428 8.460 7.270 1.190 1
1 948 . 13 1 1 A 89 89 VAL HA H 428 3.719 3.802 -0.083 1
1 956 . 13 1 1 A 89 89 VAL CA C 428 65.622 64.953 0.669 1
1 957 . 13 1 1 A 89 89 VAL CB C 428 33.134 31.900 1.234 1
1 960 . 13 1 1 A 89 89 VAL N N 428 119.822 115.823 3.999 1
1 961 . 13 1 1 A 90 90 CYS H H 429 8.729 7.842 0.887 1
1 962 . 13 1 1 A 90 90 CYS HA H 429 4.225 4.261 -0.036 1
1 965 . 13 1 1 A 90 90 CYS CA C 429 63.779 63.326 0.453 1
1 966 . 13 1 1 A 90 90 CYS CB C 429 31.291 26.958 4.333 1
1 967 . 13 1 1 A 90 90 CYS N N 429 118.878 117.911 0.967 1
1 968 . 13 1 1 A 91 91 LEU H H 430 7.907 8.268 -0.361 1
1 969 . 13 1 1 A 91 91 LEU HA H 430 4.214 3.970 0.244 1
1 979 . 13 1 1 A 91 91 LEU CA C 430 60.323 60.158 0.165 1
1 980 . 13 1 1 A 91 91 LEU CB C 430 39.125 39.951 -0.826 1
1 984 . 13 1 1 A 91 91 LEU N N 430 118.878 123.058 -4.180 1
1 985 . 13 1 1 A 92 92 PRO HA H 431 4.460 4.329 0.131 1
1 992 . 13 1 1 A 92 92 PRO CA C 431 65.161 65.654 -0.493 1
1 993 . 13 1 1 A 92 92 PRO CB C 431 31.291 30.721 0.570 1
1 996 . 13 1 1 A 93 93 LEU H H 432 7.459 7.366 0.093 1
1 997 . 13 1 1 A 93 93 LEU HA H 432 4.359 3.879 0.480 1
1 1007 . 13 1 1 A 93 93 LEU CA C 432 55.945 57.427 -1.482 1
1 1008 . 13 1 1 A 93 93 LEU CB C 432 42.350 40.915 1.435 1
1 1012 . 13 1 1 A 93 93 LEU N N 432 115.290 116.631 -1.341 1
1 1013 . 13 1 1 A 94 94 LYS H H 433 7.975 8.566 -0.591 1
1 1014 . 13 1 1 A 94 94 LYS HA H 433 4.390 4.254 0.136 1
1 1022 . 13 1 1 A 94 94 LYS CA C 433 57.558 59.836 -2.278 1
1 1023 . 13 1 1 A 94 94 LYS CB C 433 33.134 32.090 1.044 1
1 1027 . 13 1 1 A 94 94 LYS N N 433 119.255 118.143 1.112 1
1 1028 . 13 1 1 A 95 95 ASN H H 434 8.368 8.144 0.224 1
1 1029 . 13 1 1 A 95 95 ASN HA H 434 4.733 4.522 0.211 1
1 1034 . 13 1 1 A 95 95 ASN CA C 434 53.410 56.006 -2.596 1
1 1035 . 13 1 1 A 95 95 ASN CB C 434 38.894 38.210 0.684 1
1 1036 . 13 1 1 A 95 95 ASN N N 434 117.934 118.196 -0.262 1
1 1038 . 13 1 1 A 96 96 ALA H H 435 8.040 8.336 -0.296 1
1 1039 . 13 1 1 A 96 96 ALA HA H 435 4.376 4.180 0.196 1
1 1043 . 13 1 1 A 96 96 ALA CA C 435 52.949 54.156 -1.207 1
1 1044 . 13 1 1 A 96 96 ALA CB C 435 19.310 18.536 0.774 1
1 1045 . 13 1 1 A 96 96 ALA N N 435 123.221 122.069 1.152 1
1 1046 . 13 1 1 A 97 97 SER H H 436 8.138 7.534 0.604 1
1 1047 . 13 1 1 A 97 97 SER HA H 436 4.450 4.631 -0.181 1
1 1050 . 13 1 1 A 97 97 SER CA C 436 58.710 57.200 1.510 1
1 1051 . 13 1 1 A 97 97 SER CB C 436 63.779 64.173 -0.394 1
1 1052 . 13 1 1 A 97 97 SER N N 436 113.591 107.268 6.323 1
1 1053 . 13 1 1 A 98 98 ASP H H 437 8.214 7.734 0.480 1
1 1054 . 13 1 1 A 98 98 ASP HA H 437 4.662 4.464 0.198 1
1 1057 . 13 1 1 A 98 98 ASP CA C 437 54.332 54.782 -0.450 1
1 1058 . 13 1 1 A 98 98 ASP CB C 437 41.198 42.334 -1.136 1
1 1059 . 13 1 1 A 98 98 ASP N N 437 121.521 123.356 -1.835 1
1 1060 . 13 1 1 A 99 99 LYS H H 438 8.062 8.846 -0.784 1
1 1061 . 13 1 1 A 99 99 LYS HA H 438 4.363 3.883 0.480 1
1 1070 . 13 1 1 A 99 99 LYS CA C 438 55.945 59.766 -3.821 1
1 1071 . 13 1 1 A 99 99 LYS CB C 438 32.720 32.403 0.317 1
1 1075 . 13 1 1 A 99 99 LYS N N 438 121.144 127.462 -6.318 1
1 1092 . 13 2 2 B 2 2 SER HA H 783 4.524 4.391 0.133 1
1 1095 . 13 2 2 B 2 2 SER CA C 783 58.053 60.747 -2.694 1
1 1096 . 13 2 2 B 2 2 SER CB C 783 64.502 63.520 0.982 1
1 1097 . 13 2 2 B 3 3 HIS HA H 784 4.721 4.824 -0.103 1
1 1102 . 13 2 2 B 3 3 HIS CA C 784 55.750 55.041 0.709 1
1 1103 . 13 2 2 B 3 3 HIS CB C 784 30.167 31.814 -1.647 1
1 1106 . 13 2 2 B 4 4 MET HA H 785 4.495 4.811 -0.316 1
1 1114 . 13 2 2 B 4 4 MET CA C 785 55.058 53.733 1.325 1
1 1115 . 13 2 2 B 4 4 MET CB C 785 32.727 35.420 -2.693 1
1 1118 . 13 2 2 B 5 5 VAL H H 786 8.163 8.490 -0.327 1
1 1119 . 13 2 2 B 5 5 VAL HA H 786 4.464 4.485 -0.021 1
1 1127 . 13 2 2 B 5 5 VAL CA C 786 59.478 60.676 -1.198 1
1 1128 . 13 2 2 B 5 5 VAL CB C 786 32.606 31.752 0.854 1
1 1131 . 13 2 2 B 5 5 VAL N N 786 122.854 116.632 6.222 1
1 1132 . 13 2 2 B 6 6 PRO HA H 787 4.437 4.362 0.075 1
1 1137 . 13 2 2 B 6 6 PRO CA C 787 62.667 63.803 -1.136 1
1 1138 . 13 2 2 B 6 6 PRO CB C 787 32.010 30.753 1.257 1
1 1140 . 13 2 2 B 7 7 GLU H H 788 8.306 7.783 0.523 1
1 1141 . 13 2 2 B 7 7 GLU HA H 788 4.654 4.797 -0.143 1
1 1146 . 13 2 2 B 7 7 GLU CA C 788 53.568 54.181 -0.613 1
1 1147 . 13 2 2 B 7 7 GLU CB C 788 30.011 32.102 -2.091 1
1 1149 . 13 2 2 B 7 7 GLU N N 788 123.231 119.139 4.092 1
1 1150 . 13 2 2 B 8 8 PRO HA H 789 4.490 4.472 0.018 1
1 1157 . 13 2 2 B 8 8 PRO CA C 789 62.253 62.690 -0.437 1
1 1158 . 13 2 2 B 8 8 PRO CB C 789 32.483 32.301 0.182 1
1 1161 . 13 2 2 B 9 9 ASP H H 790 8.272 8.508 -0.236 1
1 1162 . 13 2 2 B 9 9 ASP HA H 790 4.456 4.569 -0.113 1
1 1165 . 13 2 2 B 9 9 ASP CA C 790 54.137 54.268 -0.131 1
1 1166 . 13 2 2 B 9 9 ASP CB C 790 41.016 40.626 0.390 1
1 1167 . 13 2 2 B 9 9 ASP N N 790 118.511 120.153 -1.642 1
1 1168 . 13 2 2 B 10 10 LEU H H 791 8.463 8.249 0.214 1
1 1169 . 13 2 2 B 10 10 LEU HA H 791 4.356 4.359 -0.003 1
1 1179 . 13 2 2 B 10 10 LEU CA C 791 52.531 53.327 -0.796 1
1 1180 . 13 2 2 B 10 10 LEU CB C 791 42.609 42.724 -0.115 1
1 1184 . 13 2 2 B 10 10 LEU N N 791 121.343 126.841 -5.498 1
1 1185 . 13 2 2 B 11 11 PRO HA H 792 4.553 4.512 0.041 1
1 1192 . 13 2 2 B 11 11 PRO CA C 792 62.788 63.356 -0.568 1
1 1193 . 13 2 2 B 11 11 PRO CB C 792 32.716 32.132 0.584 1
1 1196 . 13 2 2 B 12 12 HIS HA H 793 3.989 4.117 -0.128 1
1 1201 . 13 2 2 B 12 12 HIS CA C 793 60.326 59.985 0.341 1
1 1202 . 13 2 2 B 12 12 HIS CB C 793 30.803 30.208 0.595 1
1 1205 . 13 2 2 B 13 13 ASP H H 794 8.938 8.822 0.116 1
1 1206 . 13 2 2 B 13 13 ASP HA H 794 4.460 4.290 0.170 1
1 1209 . 13 2 2 B 13 13 ASP CA C 794 54.581 56.719 -2.138 1
1 1210 . 13 2 2 B 13 13 ASP CB C 794 38.061 39.475 -1.414 1
1 1211 . 13 2 2 B 13 13 ASP N N 794 114.734 118.294 -3.560 1
1 1212 . 13 2 2 B 14 14 LEU H H 795 7.674 7.811 -0.137 1
1 1213 . 13 2 2 B 14 14 LEU HA H 795 4.546 4.280 0.266 1
1 1223 . 13 2 2 B 14 14 LEU CA C 795 53.478 56.425 -2.947 1
1 1224 . 13 2 2 B 14 14 LEU CB C 795 43.597 42.052 1.545 1
1 1228 . 13 2 2 B 14 14 LEU N N 795 116.056 119.793 -3.737 1
1 1229 . 13 2 2 B 15 15 ARG H H 796 7.225 8.320 -1.095 1
1 1230 . 13 2 2 B 15 15 ARG HA H 796 3.809 3.902 -0.093 1
1 1237 . 13 2 2 B 15 15 ARG CA C 796 58.744 59.846 -1.102 1
1 1238 . 13 2 2 B 15 15 ARG CB C 796 30.413 29.809 0.604 1
1 1241 . 13 2 2 B 15 15 ARG N N 796 116.434 119.451 -3.017 1
1 1242 . 13 2 2 B 16 16 HIS HA H 797 4.703 4.254 0.449 1
1 1247 . 13 2 2 B 16 16 HIS CA C 797 55.289 59.164 -3.875 1
1 1248 . 13 2 2 B 16 16 HIS CB C 797 29.538 30.117 -0.579 1
1 1251 . 13 2 2 B 17 17 LEU H H 798 6.982 7.389 -0.407 1
1 1252 . 13 2 2 B 17 17 LEU HA H 798 4.071 3.957 0.114 1
1 1262 . 13 2 2 B 17 17 LEU CA C 798 54.807 55.430 -0.623 1
1 1263 . 13 2 2 B 17 17 LEU CB C 798 42.206 42.181 0.025 1
1 1267 . 13 2 2 B 17 17 LEU N N 798 120.399 120.442 -0.043 1
1 1268 . 13 2 2 B 18 18 ASN H H 799 8.789 8.526 0.263 1
1 1269 . 13 2 2 B 18 18 ASN HA H 799 4.857 4.832 0.025 1
1 1274 . 13 2 2 B 18 18 ASN CA C 799 52.166 52.613 -0.447 1
1 1275 . 13 2 2 B 18 18 ASN CB C 799 37.842 38.286 -0.444 1
1 1276 . 13 2 2 B 18 18 ASN N N 799 121.343 123.072 -1.729 1
1 1278 . 13 2 2 B 19 19 THR H H 800 8.585 8.573 0.012 1
1 1279 . 13 2 2 B 19 19 THR HA H 800 4.522 4.369 0.153 1
1 1284 . 13 2 2 B 19 19 THR CA C 800 62.143 63.375 -1.232 1
1 1285 . 13 2 2 B 19 19 THR CB C 800 68.865 69.034 -0.169 1
1 1287 . 13 2 2 B 19 19 THR N N 800 115.301 117.807 -2.506 1
1 1288 . 13 2 2 B 20 20 GLU H H 801 8.415 8.206 0.209 1
1 1289 . 13 2 2 B 20 20 GLU HA H 801 4.337 4.132 0.205 1
1 1294 . 13 2 2 B 20 20 GLU CA C 801 61.496 62.382 -0.886 1
1 1295 . 13 2 2 B 20 20 GLU CB C 801 26.493 27.933 -1.440 1
1 1297 . 13 2 2 B 20 20 GLU N N 801 125.119 122.940 2.179 1
1 1298 . 13 2 2 B 21 21 PRO HA H 802 4.422 4.310 0.112 1
1 1305 . 13 2 2 B 21 21 PRO CA C 802 64.520 65.001 -0.481 1
1 1306 . 13 2 2 B 21 21 PRO CB C 802 31.355 30.934 0.421 1
1 1309 . 13 2 2 B 22 22 MET H H 803 7.303 7.632 -0.329 1
1 1310 . 13 2 2 B 22 22 MET HA H 803 4.062 3.993 0.069 1
1 1318 . 13 2 2 B 22 22 MET CA C 803 55.686 57.630 -1.944 1
1 1319 . 13 2 2 B 22 22 MET CB C 803 33.481 31.670 1.811 1
1 1322 . 13 2 2 B 22 22 MET N N 803 110.769 116.159 -5.390 1
1 1323 . 13 2 2 B 23 23 GLU H H 804 7.624 7.636 -0.012 1
1 1324 . 13 2 2 B 23 23 GLU HA H 804 3.918 3.983 -0.065 1
1 1329 . 13 2 2 B 23 23 GLU CA C 804 59.221 59.137 0.084 1
1 1330 . 13 2 2 B 23 23 GLU CB C 804 28.993 29.311 -0.318 1
1 1332 . 13 2 2 B 23 23 GLU N N 804 118.699 118.279 0.420 1
1 1333 . 13 2 2 B 24 24 ILE H H 805 6.626 7.160 -0.534 1
1 1334 . 13 2 2 B 24 24 ILE HA H 805 3.999 3.681 0.318 1
1 1344 . 13 2 2 B 24 24 ILE CA C 805 62.734 63.867 -1.133 1
1 1345 . 13 2 2 B 24 24 ILE CB C 805 37.574 36.934 0.640 1
1 1349 . 13 2 2 B 24 24 ILE N N 805 111.524 116.129 -4.605 1
1 1350 . 13 2 2 B 25 25 PHE H H 806 7.515 7.552 -0.037 1
1 1351 . 13 2 2 B 25 25 PHE HA H 806 4.524 4.370 0.154 1
1 1358 . 13 2 2 B 25 25 PHE CA C 806 55.760 61.924 -6.164 1
1 1359 . 13 2 2 B 25 25 PHE CB C 806 38.464 38.462 0.002 1
1 1362 . 13 2 2 B 25 25 PHE N N 806 118.322 121.009 -2.687 1
1 1363 . 13 2 2 B 26 26 ARG H H 807 7.368 8.065 -0.697 1
1 1364 . 13 2 2 B 26 26 ARG HA H 807 4.024 4.113 -0.089 1
1 1371 . 13 2 2 B 26 26 ARG CA C 807 58.864 58.595 0.269 1
1 1372 . 13 2 2 B 26 26 ARG CB C 807 30.872 29.973 0.899 1
1 1375 . 13 2 2 B 26 26 ARG N N 807 118.888 120.917 -2.029 1
1 1376 . 13 2 2 B 27 27 ASN H H 808 8.877 8.161 0.716 1
1 1377 . 13 2 2 B 27 27 ASN HA H 808 4.732 4.990 -0.258 1
1 1382 . 13 2 2 B 27 27 ASN CA C 808 53.413 52.229 1.184 1
1 1383 . 13 2 2 B 27 27 ASN CB C 808 38.244 39.149 -0.905 1
1 1384 . 13 2 2 B 27 27 ASN N N 808 117.000 113.734 3.266 1
1 1386 . 13 2 2 B 28 28 SER H H 809 7.969 7.919 0.050 1
1 1387 . 13 2 2 B 28 28 SER HA H 809 4.440 4.774 -0.334 1
1 1390 . 13 2 2 B 28 28 SER CA C 809 60.606 58.234 2.372 1
1 1391 . 13 2 2 B 28 28 SER CB C 809 64.021 65.058 -1.037 1
1 1392 . 13 2 2 B 28 28 SER N N 809 114.356 114.990 -0.634 1
1 1393 . 13 2 2 B 29 29 VAL HA H 810 4.304 4.677 -0.373 1
1 1401 . 13 2 2 B 29 29 VAL CA C 810 60.803 60.936 -0.133 1
1 1402 . 13 2 2 B 29 29 VAL CB C 810 34.232 35.438 -1.206 1
1 1405 . 13 2 2 B 30 30 LYS H H 811 8.707 8.798 -0.091 1
1 1406 . 13 2 2 B 30 30 LYS HA H 811 4.552 4.482 0.070 1
1 1415 . 13 2 2 B 30 30 LYS CA C 811 55.058 54.875 0.183 1
1 1416 . 13 2 2 B 30 30 LYS CB C 811 31.782 30.969 0.813 1
1 1420 . 13 2 2 B 30 30 LYS N N 811 127.196 126.814 0.382 1
1 1421 . 13 2 2 B 31 31 ILE H H 812 8.604 7.716 0.888 1
1 1422 . 13 2 2 B 31 31 ILE HA H 812 3.662 3.712 -0.050 1
1 1432 . 13 2 2 B 31 31 ILE CA C 812 64.066 64.988 -0.922 1
1 1433 . 13 2 2 B 31 31 ILE CB C 812 37.726 37.739 -0.013 1
1 1437 . 13 2 2 B 31 31 ILE N N 812 125.497 124.839 0.658 1
1 1438 . 13 2 2 B 32 32 GLU H H 813 9.330 8.278 1.052 1
1 1439 . 13 2 2 B 32 32 GLU HA H 813 4.162 4.147 0.015 1
1 1444 . 13 2 2 B 32 32 GLU CA C 813 58.096 58.176 -0.080 1
1 1445 . 13 2 2 B 32 32 GLU CB C 813 28.834 30.272 -1.438 1
1 1447 . 13 2 2 B 32 32 GLU N N 813 118.888 118.639 0.249 1
1 1448 . 13 2 2 B 33 33 GLU H H 814 7.742 7.799 -0.057 1
1 1449 . 13 2 2 B 33 33 GLU HA H 814 4.334 4.428 -0.094 1
1 1454 . 13 2 2 B 33 33 GLU CA C 814 56.441 57.078 -0.637 1
1 1455 . 13 2 2 B 33 33 GLU CB C 814 30.396 30.625 -0.229 1
1 1457 . 13 2 2 B 33 33 GLU N N 814 117.566 117.342 0.224 1
1 1458 . 13 2 2 B 34 34 ILE H H 815 7.598 7.587 0.011 1
1 1459 . 13 2 2 B 34 34 ILE HA H 815 4.216 3.774 0.442 1
1 1469 . 13 2 2 B 34 34 ILE CA C 815 61.047 65.003 -3.956 1
1 1470 . 13 2 2 B 34 34 ILE CB C 815 38.712 38.283 0.429 1
1 1474 . 13 2 2 B 34 34 ILE N N 815 117.566 118.287 -0.721 1
1 1475 . 13 2 2 B 35 35 MET H H 816 8.177 7.573 0.604 1
1 1476 . 13 2 2 B 35 35 MET HA H 816 4.733 4.476 0.257 1
1 1484 . 13 2 2 B 35 35 MET CA C 816 53.461 53.886 -0.425 1
1 1485 . 13 2 2 B 35 35 MET CB C 816 32.025 33.865 -1.840 1
1 1488 . 13 2 2 B 35 35 MET N N 816 122.665 121.199 1.466 1
1 1489 . 13 2 2 B 36 36 PRO HA H 817 4.743 4.392 0.351 1
1 1496 . 13 2 2 B 36 36 PRO CA C 817 62.542 63.740 -1.198 1
1 1497 . 13 2 2 B 36 36 PRO CB C 817 34.328 32.170 2.158 1
1 1500 . 13 2 2 B 37 37 ASN H H 818 8.374 8.181 0.193 1
1 1501 . 13 2 2 B 37 37 ASN HA H 818 4.752 4.347 0.405 1
1 1504 . 13 2 2 B 37 37 ASN CA C 818 52.995 54.458 -1.463 1
1 1505 . 13 2 2 B 37 37 ASN CB C 818 38.705 36.557 2.148 1
1 1506 . 13 2 2 B 37 37 ASN N N 818 117.378 114.442 2.936 1
1 1507 . 13 2 2 B 38 38 GLY H H 819 8.314 8.111 0.203 1
1 1508 . 13 2 2 B 38 38 GLY HA2 H 819 3.937 3.814 0.123 1
1 1509 . 13 2 2 B 38 38 GLY HA3 H 819 3.994 3.816 0.178 1
1 1510 . 13 2 2 B 38 38 GLY CA C 819 45.006 46.931 -1.925 1
1 1511 . 13 2 2 B 38 38 GLY N N 819 108.881 105.883 2.998 1
1 1512 . 13 2 2 B 39 39 ASP H H 820 8.157 8.011 0.146 1
1 1513 . 13 2 2 B 39 39 ASP HA H 820 4.939 5.010 -0.071 1
1 1516 . 13 2 2 B 39 39 ASP CA C 820 51.896 51.060 0.836 1
1 1517 . 13 2 2 B 39 39 ASP CB C 820 41.672 43.642 -1.970 1
1 1518 . 13 2 2 B 39 39 ASP N N 820 121.154 116.446 4.708 1
1 1519 . 13 2 2 B 40 40 PRO HA H 821 4.483 4.291 0.192 1
1 1526 . 13 2 2 B 40 40 PRO CA C 821 63.351 65.762 -2.411 1
1 1527 . 13 2 2 B 40 40 PRO CB C 821 32.066 32.028 0.038 1
1 1530 . 13 2 2 B 41 41 LEU H H 822 8.440 7.601 0.839 1
1 1531 . 13 2 2 B 41 41 LEU HA H 822 4.262 4.028 0.234 1
1 1541 . 13 2 2 B 41 41 LEU CA C 822 55.539 57.320 -1.781 1
1 1542 . 13 2 2 B 41 41 LEU CB C 822 41.496 40.647 0.849 1
1 1546 . 13 2 2 B 41 41 LEU N N 822 119.644 116.828 2.816 1
1 1547 . 13 2 2 B 42 42 LEU H H 823 7.863 8.036 -0.173 1
1 1548 . 13 2 2 B 42 42 LEU HA H 823 4.353 3.963 0.390 1
1 1558 . 13 2 2 B 42 42 LEU CA C 823 54.598 57.561 -2.963 1
1 1559 . 13 2 2 B 42 42 LEU CB C 823 42.025 41.327 0.698 1
1 1563 . 13 2 2 B 42 42 LEU N N 823 120.399 119.860 0.539 1
1 1564 . 13 2 2 B 43 43 ALA H H 824 8.022 8.381 -0.359 1
1 1565 . 13 2 2 B 43 43 ALA HA H 824 4.330 4.138 0.192 1
1 1569 . 13 2 2 B 43 43 ALA CA C 824 52.539 54.780 -2.241 1
1 1570 . 13 2 2 B 43 43 ALA CB C 824 19.126 18.447 0.679 1
1 1571 . 13 2 2 B 43 43 ALA N N 824 123.420 120.931 2.489 1
1 1572 . 13 2 2 B 44 44 GLY H H 825 8.346 8.105 0.241 1
1 1573 . 13 2 2 B 44 44 GLY HA2 H 825 3.973 3.873 0.100 1
1 1574 . 13 2 2 B 44 44 GLY HA3 H 825 3.973 3.875 0.098 1
1 1575 . 13 2 2 B 44 44 GLY CA C 825 45.123 47.050 -1.927 1
1 1576 . 13 2 2 B 44 44 GLY N N 825 107.559 107.533 0.026 1
1 1577 . 13 2 2 B 45 45 GLN H H 826 8.204 7.367 0.837 1
1 1578 . 13 2 2 B 45 45 GLN HA H 826 4.377 4.493 -0.116 1
1 1585 . 13 2 2 B 45 45 GLN CA C 826 55.686 55.769 -0.083 1
1 1586 . 13 2 2 B 45 45 GLN CB C 826 29.376 30.149 -0.773 1
1 1588 . 13 2 2 B 45 45 GLN N N 826 119.266 117.968 1.298 1
1 1590 . 13 2 2 B 46 46 ASN H H 827 8.556 7.928 0.628 1
1 1591 . 13 2 2 B 46 46 ASN HA H 827 4.824 4.525 0.299 1
1 1596 . 13 2 2 B 46 46 ASN CA C 827 53.216 54.848 -1.632 1
1 1597 . 13 2 2 B 46 46 ASN CB C 827 38.759 38.567 0.192 1
1 1598 . 13 2 2 B 46 46 ASN N N 827 119.266 117.933 1.333 1
1 1600 . 13 2 2 B 47 47 THR H H 828 8.127 7.565 0.562 1
1 1601 . 13 2 2 B 47 47 THR HA H 828 4.414 4.478 -0.064 1
1 1606 . 13 2 2 B 47 47 THR CA C 828 61.564 60.169 1.395 1
1 1607 . 13 2 2 B 47 47 THR CB C 828 69.507 70.890 -1.383 1
1 1609 . 13 2 2 B 47 47 THR N N 828 113.790 112.021 1.769 1
1 1610 . 13 2 2 B 48 48 VAL H H 829 8.140 8.380 -0.240 1
1 1611 . 13 2 2 B 48 48 VAL HA H 829 4.091 3.349 0.742 1
1 1619 . 13 2 2 B 48 48 VAL CA C 829 62.146 62.812 -0.666 1
1 1620 . 13 2 2 B 48 48 VAL CB C 829 32.515 29.357 3.158 1
1 1623 . 13 2 2 B 48 48 VAL N N 829 120.776 125.027 -4.251 1
1 1624 . 13 2 2 B 49 49 ASP H H 830 8.287 7.899 0.388 1
1 1625 . 13 2 2 B 49 49 ASP HA H 830 4.617 4.564 0.053 1
1 1628 . 13 2 2 B 49 49 ASP CA C 830 54.308 54.163 0.145 1
1 1629 . 13 2 2 B 49 49 ASP CB C 830 41.241 42.357 -1.116 1
1 1630 . 13 2 2 B 49 49 ASP N N 830 123.042 124.041 -0.999 1
1 1631 . 13 2 2 B 50 50 GLU H H 831 8.242 8.977 -0.735 1
1 1632 . 13 2 2 B 50 50 GLU HA H 831 4.261 3.987 0.274 1
1 1637 . 13 2 2 B 50 50 GLU CA C 831 56.521 59.716 -3.195 1
1 1638 . 13 2 2 B 50 50 GLU CB C 831 30.209 29.368 0.841 1
1 1640 . 13 2 2 B 50 50 GLU N N 831 120.776 124.226 -3.450 1
1 1641 . 13 2 2 B 51 51 VAL H H 832 8.044 8.268 -0.224 1
1 1642 . 13 2 2 B 51 51 VAL HA H 832 3.988 3.799 0.189 1
1 1650 . 13 2 2 B 51 51 VAL CA C 832 62.472 64.921 -2.449 1
1 1651 . 13 2 2 B 51 51 VAL CB C 832 32.278 31.496 0.782 1
1 1654 . 13 2 2 B 51 51 VAL N N 832 120.021 119.693 0.328 1
1 1655 . 13 2 2 B 52 52 TYR H H 833 8.148 7.962 0.186 1
1 1656 . 13 2 2 B 52 52 TYR HA H 833 4.598 4.403 0.195 1
1 1663 . 13 2 2 B 52 52 TYR CA C 833 57.743 61.429 -3.686 1
1 1664 . 13 2 2 B 52 52 TYR CB C 833 38.702 38.660 0.042 1
1 1667 . 13 2 2 B 52 52 TYR N N 833 122.854 121.591 1.263 1
1 1668 . 13 2 2 B 53 53 VAL H H 834 7.868 6.975 0.893 1
1 1669 . 13 2 2 B 53 53 VAL HA H 834 4.114 4.590 -0.476 1
1 1677 . 13 2 2 B 53 53 VAL CA C 834 61.508 60.749 0.759 1
1 1678 . 13 2 2 B 53 53 VAL CB C 834 33.010 31.023 1.987 1
1 1681 . 13 2 2 B 53 53 VAL N N 834 121.721 110.315 11.406 1
1 1682 . 13 2 2 B 54 54 SER H H 835 8.237 8.137 0.100 1
1 1683 . 13 2 2 B 54 54 SER HA H 835 4.422 4.112 0.310 1
1 1686 . 13 2 2 B 54 54 SER CA C 835 57.823 59.207 -1.384 1
1 1687 . 13 2 2 B 54 54 SER CB C 835 63.437 60.919 2.518 1
1 1688 . 13 2 2 B 54 54 SER N N 835 119.077 115.865 3.212 1
1 1689 . 13 2 2 B 55 55 ARG H H 836 8.284 8.137 0.147 1
1 1690 . 13 2 2 B 55 55 ARG HA H 836 4.701 4.663 0.038 1
1 1697 . 13 2 2 B 55 55 ARG CA C 836 53.601 54.584 -0.983 1
1 1698 . 13 2 2 B 55 55 ARG CB C 836 30.394 30.931 -0.537 1
1 1701 . 13 2 2 B 55 55 ARG N N 836 123.798 122.115 1.683 1
1 1702 . 13 2 2 B 56 56 PRO HA H 837 4.485 4.529 -0.044 1
1 1709 . 13 2 2 B 56 56 PRO CA C 837 63.351 64.306 -0.955 1
1 1710 . 13 2 2 B 56 56 PRO CB C 837 31.795 31.727 0.068 1
1 7 . 14 1 1 A 2 2 THR HA H 341 4.462 4.642 -0.180 1
1 12 . 14 1 1 A 2 2 THR CA C 341 61.936 60.094 1.842 1
1 13 . 14 1 1 A 2 2 THR CB C 341 69.770 69.733 0.037 1
1 15 . 14 1 1 A 3 3 GLY HA2 H 342 4.141 4.195 -0.054 1
1 16 . 14 1 1 A 3 3 GLY HA3 H 342 4.238 4.196 0.042 1
1 17 . 14 1 1 A 3 3 GLY CA C 342 44.424 45.259 -0.835 1
1 18 . 14 1 1 A 4 4 PRO HA H 343 4.567 4.254 0.313 1
1 25 . 14 1 1 A 4 4 PRO CA C 343 63.088 63.523 -0.435 1
1 26 . 14 1 1 A 4 4 PRO CB C 343 32.443 32.028 0.415 1
1 29 . 14 1 1 A 5 5 THR H H 344 8.284 8.787 -0.503 1
1 30 . 14 1 1 A 5 5 THR HA H 344 4.342 4.160 0.182 1
1 35 . 14 1 1 A 5 5 THR CA C 344 61.936 63.371 -1.435 1
1 36 . 14 1 1 A 5 5 THR CB C 344 69.539 66.761 2.778 1
1 38 . 14 1 1 A 5 5 THR N N 344 113.968 116.780 -2.812 1
1 39 . 14 1 1 A 6 6 ALA H H 345 8.269 7.376 0.893 1
1 40 . 14 1 1 A 6 6 ALA HA H 345 4.434 4.509 -0.075 1
1 44 . 14 1 1 A 6 6 ALA CA C 345 52.028 51.468 0.560 1
1 45 . 14 1 1 A 6 6 ALA CB C 345 19.771 20.297 -0.526 1
1 46 . 14 1 1 A 6 6 ALA N N 345 126.619 123.100 3.519 1
1 47 . 14 1 1 A 7 7 ASP H H 346 8.454 7.569 0.885 1
1 48 . 14 1 1 A 7 7 ASP HA H 346 4.917 4.716 0.201 1
1 51 . 14 1 1 A 7 7 ASP CA C 346 52.719 52.101 0.618 1
1 52 . 14 1 1 A 7 7 ASP CB C 346 41.659 41.868 -0.209 1
1 53 . 14 1 1 A 7 7 ASP N N 346 120.766 121.342 -0.576 1
1 54 . 14 1 1 A 8 8 PRO HA H 347 4.398 4.254 0.144 1
1 61 . 14 1 1 A 8 8 PRO CA C 347 64.931 65.306 -0.375 1
1 62 . 14 1 1 A 8 8 PRO CB C 347 32.388 31.869 0.519 1
1 65 . 14 1 1 A 9 9 GLU H H 348 8.113 7.492 0.621 1
1 66 . 14 1 1 A 9 9 GLU HA H 348 4.154 4.127 0.027 1
1 71 . 14 1 1 A 9 9 GLU CB C 348 30.138 29.324 0.814 1
1 73 . 14 1 1 A 9 9 GLU N N 348 116.423 118.163 -1.740 1
1 74 . 14 1 1 A 10 10 LYS H H 349 7.699 8.259 -0.560 1
1 75 . 14 1 1 A 10 10 LYS HA H 349 3.982 3.979 0.003 1
1 84 . 14 1 1 A 10 10 LYS CA C 349 60.092 59.563 0.529 1
1 85 . 14 1 1 A 10 10 LYS CB C 349 32.558 32.532 0.026 1
1 89 . 14 1 1 A 10 10 LYS N N 349 119.255 119.988 -0.733 1
1 90 . 14 1 1 A 11 11 ARG H H 350 7.845 8.016 -0.171 1
1 91 . 14 1 1 A 11 11 ARG HA H 350 3.656 3.942 -0.286 1
1 98 . 14 1 1 A 11 11 ARG CA C 350 60.092 59.266 0.826 1
1 99 . 14 1 1 A 11 11 ARG CB C 350 28.295 29.840 -1.545 1
1 102 . 14 1 1 A 11 11 ARG N N 350 117.178 119.301 -2.123 1
1 103 . 14 1 1 A 12 12 LYS H H 351 7.888 7.659 0.229 1
1 104 . 14 1 1 A 12 12 LYS HA H 351 4.198 4.327 -0.129 1
1 109 . 14 1 1 A 12 12 LYS CA C 351 59.631 59.197 0.434 1
1 110 . 14 1 1 A 12 12 LYS CB C 351 32.673 32.378 0.295 1
1 112 . 14 1 1 A 12 12 LYS N N 351 117.745 119.579 -1.834 1
1 113 . 14 1 1 A 13 13 LEU H H 352 7.696 8.026 -0.330 1
1 114 . 14 1 1 A 13 13 LEU HA H 352 4.259 4.049 0.210 1
1 124 . 14 1 1 A 13 13 LEU CA C 352 58.019 58.063 -0.044 1
1 125 . 14 1 1 A 13 13 LEU CB C 352 42.120 41.833 0.287 1
1 129 . 14 1 1 A 13 13 LEU N N 352 119.444 120.492 -1.048 1
1 130 . 14 1 1 A 14 14 ILE H H 353 7.831 7.718 0.113 1
1 131 . 14 1 1 A 14 14 ILE HA H 353 3.648 3.781 -0.133 1
1 141 . 14 1 1 A 14 14 ILE CA C 353 65.392 64.336 1.056 1
1 142 . 14 1 1 A 14 14 ILE CB C 353 38.203 37.655 0.548 1
1 146 . 14 1 1 A 14 14 ILE N N 353 118.311 115.662 2.649 1
1 147 . 14 1 1 A 15 15 GLN H H 354 8.178 7.915 0.263 1
1 148 . 14 1 1 A 15 15 GLN HA H 354 3.791 3.868 -0.077 1
1 155 . 14 1 1 A 15 15 GLN CA C 354 59.631 59.070 0.561 1
1 156 . 14 1 1 A 15 15 GLN CB C 354 30.369 28.142 2.227 1
1 158 . 14 1 1 A 15 15 GLN N N 354 116.423 121.103 -4.680 1
1 160 . 14 1 1 A 16 16 GLN H H 355 8.192 8.153 0.039 1
1 161 . 14 1 1 A 16 16 GLN HA H 355 3.799 4.041 -0.242 1
1 168 . 14 1 1 A 16 16 GLN CA C 355 59.171 59.151 0.020 1
1 169 . 14 1 1 A 16 16 GLN CB C 355 28.986 28.353 0.633 1
1 171 . 14 1 1 A 16 16 GLN N N 355 117.178 118.643 -1.465 1
1 173 . 14 1 1 A 17 17 GLN H H 356 7.970 7.751 0.219 1
1 174 . 14 1 1 A 17 17 GLN HA H 356 3.136 4.014 -0.878 1
1 181 . 14 1 1 A 17 17 GLN CA C 356 60.323 58.604 1.719 1
1 182 . 14 1 1 A 17 17 GLN CB C 356 27.143 28.172 -1.029 1
1 184 . 14 1 1 A 17 17 GLN N N 356 118.311 119.639 -1.328 1
1 186 . 14 1 1 A 18 18 LEU H H 357 8.408 8.123 0.285 1
1 187 . 14 1 1 A 18 18 LEU HA H 357 3.863 3.978 -0.115 1
1 197 . 14 1 1 A 18 18 LEU CA C 357 58.710 58.319 0.391 1
1 198 . 14 1 1 A 18 18 LEU CB C 357 40.968 41.822 -0.854 1
1 202 . 14 1 1 A 18 18 LEU N N 357 117.934 121.140 -3.206 1
1 203 . 14 1 1 A 19 19 VAL H H 358 8.544 8.276 0.268 1
1 204 . 14 1 1 A 19 19 VAL HA H 358 3.479 3.447 0.032 1
1 212 . 14 1 1 A 19 19 VAL CA C 358 66.544 66.833 -0.289 1
1 213 . 14 1 1 A 19 19 VAL CB C 358 31.060 31.258 -0.198 1
1 216 . 14 1 1 A 19 19 VAL N N 358 116.423 119.114 -2.691 1
1 217 . 14 1 1 A 20 20 LEU H H 359 7.820 8.025 -0.205 1
1 218 . 14 1 1 A 20 20 LEU HA H 359 3.952 3.949 0.003 1
1 228 . 14 1 1 A 20 20 LEU CA C 359 58.019 58.045 -0.026 1
1 229 . 14 1 1 A 20 20 LEU CB C 359 42.696 41.220 1.476 1
1 233 . 14 1 1 A 20 20 LEU N N 359 120.955 120.315 0.640 1
1 234 . 14 1 1 A 21 21 LEU H H 360 8.278 7.887 0.391 1
1 235 . 14 1 1 A 21 21 LEU HA H 360 3.868 4.098 -0.230 1
1 245 . 14 1 1 A 21 21 LEU CA C 360 58.710 57.939 0.771 1
1 246 . 14 1 1 A 21 21 LEU CB C 360 42.811 41.575 1.236 1
1 250 . 14 1 1 A 21 21 LEU N N 360 121.144 119.338 1.806 1
1 251 . 14 1 1 A 22 22 LEU H H 361 8.331 8.150 0.181 1
1 252 . 14 1 1 A 22 22 LEU HA H 361 3.919 3.953 -0.034 1
1 262 . 14 1 1 A 22 22 LEU CA C 361 57.788 58.001 -0.213 1
1 263 . 14 1 1 A 22 22 LEU CB C 361 41.083 41.559 -0.476 1
1 267 . 14 1 1 A 22 22 LEU N N 361 118.500 117.916 0.584 1
1 268 . 14 1 1 A 23 23 HIS H H 362 8.620 8.502 0.118 1
1 269 . 14 1 1 A 23 23 HIS HA H 362 4.114 4.247 -0.133 1
1 274 . 14 1 1 A 23 23 HIS CA C 362 60.323 59.741 0.582 1
1 275 . 14 1 1 A 23 23 HIS CB C 362 27.834 29.984 -2.150 1
1 278 . 14 1 1 A 23 23 HIS N N 362 117.934 118.035 -0.101 1
1 279 . 14 1 1 A 24 24 ALA H H 363 9.049 8.414 0.635 1
1 280 . 14 1 1 A 24 24 ALA HA H 363 3.954 4.013 -0.059 1
1 284 . 14 1 1 A 24 24 ALA CA C 363 55.253 55.106 0.147 1
1 285 . 14 1 1 A 24 24 ALA CB C 363 19.079 17.813 1.266 1
1 286 . 14 1 1 A 24 24 ALA N N 363 121.710 120.628 1.082 1
1 287 . 14 1 1 A 25 25 HIS H H 364 7.955 8.124 -0.169 1
1 288 . 14 1 1 A 25 25 HIS HA H 364 4.130 4.164 -0.034 1
1 293 . 14 1 1 A 25 25 HIS CA C 364 60.092 59.736 0.356 1
1 294 . 14 1 1 A 25 25 HIS CB C 364 31.060 30.163 0.897 1
1 297 . 14 1 1 A 25 25 HIS N N 364 115.856 118.250 -2.394 1
1 298 . 14 1 1 A 26 26 LYS H H 365 7.053 7.535 -0.482 1
1 299 . 14 1 1 A 26 26 LYS HA H 365 4.014 3.732 0.282 1
1 302 . 14 1 1 A 26 26 LYS CA C 365 57.788 59.087 -1.299 1
1 303 . 14 1 1 A 26 26 LYS CB C 365 32.903 31.807 1.096 1
1 304 . 14 1 1 A 26 26 LYS N N 365 117.178 117.702 -0.524 1
1 305 . 14 1 1 A 27 27 CYS H H 366 8.592 8.077 0.515 1
1 306 . 14 1 1 A 27 27 CYS HA H 366 3.741 3.925 -0.184 1
1 309 . 14 1 1 A 27 27 CYS CA C 366 62.396 62.286 0.110 1
1 310 . 14 1 1 A 27 27 CYS CB C 366 29.678 26.541 3.137 1
1 311 . 14 1 1 A 27 27 CYS N N 366 123.976 118.437 5.539 1
1 312 . 14 1 1 A 28 28 GLN H H 367 8.349 8.394 -0.045 1
1 313 . 14 1 1 A 28 28 GLN HA H 367 4.283 3.917 0.366 1
1 320 . 14 1 1 A 28 28 GLN CA C 367 57.327 59.143 -1.816 1
1 321 . 14 1 1 A 28 28 GLN CB C 367 29.217 28.328 0.889 1
1 323 . 14 1 1 A 28 28 GLN N N 367 119.444 119.628 -0.184 1
1 325 . 14 1 1 A 29 29 ARG H H 368 7.635 7.486 0.149 1
1 326 . 14 1 1 A 29 29 ARG HA H 368 4.169 4.012 0.157 1
1 333 . 14 1 1 A 29 29 ARG CA C 368 57.558 59.678 -2.120 1
1 334 . 14 1 1 A 29 29 ARG CB C 368 29.908 29.992 -0.084 1
1 337 . 14 1 1 A 29 29 ARG N N 368 119.444 118.493 0.951 1
1 338 . 14 1 1 A 30 30 ARG H H 369 8.018 7.666 0.352 1
1 339 . 14 1 1 A 30 30 ARG HA H 369 4.260 4.123 0.137 1
1 346 . 14 1 1 A 30 30 ARG CA C 369 57.558 59.426 -1.868 1
1 347 . 14 1 1 A 30 30 ARG CB C 369 30.599 30.209 0.390 1
1 350 . 14 1 1 A 30 30 ARG N N 369 120.388 118.632 1.756 1
1 351 . 14 1 1 A 31 31 GLU H H 370 8.208 8.542 -0.334 1
1 352 . 14 1 1 A 31 31 GLU HA H 370 4.236 4.034 0.202 1
1 357 . 14 1 1 A 31 31 GLU CA C 370 57.788 59.817 -2.029 1
1 358 . 14 1 1 A 31 31 GLU CB C 370 30.369 29.012 1.357 1
1 360 . 14 1 1 A 31 31 GLU N N 370 120.388 119.658 0.730 1
1 361 . 14 1 1 A 32 32 GLN H H 371 8.165 8.144 0.021 1
1 362 . 14 1 1 A 32 32 GLN HA H 371 4.313 4.069 0.244 1
1 367 . 14 1 1 A 32 32 GLN CA C 371 56.636 58.508 -1.872 1
1 368 . 14 1 1 A 32 32 GLN CB C 371 29.217 28.720 0.497 1
1 370 . 14 1 1 A 32 32 GLN N N 371 118.878 119.282 -0.404 1
1 371 . 14 1 1 A 33 33 ALA H H 372 8.095 7.319 0.776 1
1 372 . 14 1 1 A 33 33 ALA HA H 372 4.327 4.202 0.125 1
1 376 . 14 1 1 A 33 33 ALA CA C 372 53.180 53.870 -0.690 1
1 377 . 14 1 1 A 33 33 ALA CB C 372 19.079 18.451 0.628 1
1 378 . 14 1 1 A 33 33 ALA N N 372 123.032 120.662 2.370 1
1 379 . 14 1 1 A 34 34 ASN H H 373 8.186 7.475 0.711 1
1 380 . 14 1 1 A 34 34 ASN HA H 373 4.735 4.568 0.167 1
1 383 . 14 1 1 A 34 34 ASN CA C 373 53.410 53.670 -0.260 1
1 384 . 14 1 1 A 34 34 ASN CB C 373 38.894 40.213 -1.319 1
1 385 . 14 1 1 A 34 34 ASN N N 373 115.479 115.854 -0.375 1
1 386 . 14 1 1 A 35 35 GLY H H 374 8.266 8.670 -0.404 1
1 387 . 14 1 1 A 35 35 GLY HA2 H 374 3.943 3.857 0.086 1
1 388 . 14 1 1 A 35 35 GLY HA3 H 374 4.044 3.857 0.187 1
1 389 . 14 1 1 A 35 35 GLY CA C 374 45.576 46.764 -1.188 1
1 390 . 14 1 1 A 35 35 GLY N N 374 108.492 112.049 -3.557 1
1 391 . 14 1 1 A 36 36 GLU H H 375 8.132 7.876 0.256 1
1 392 . 14 1 1 A 36 36 GLU HA H 375 4.368 4.537 -0.169 1
1 397 . 14 1 1 A 36 36 GLU CA C 375 55.945 55.052 0.893 1
1 398 . 14 1 1 A 36 36 GLU CB C 375 30.369 29.993 0.376 1
1 400 . 14 1 1 A 36 36 GLU N N 375 119.822 116.112 3.710 1
1 401 . 14 1 1 A 37 37 VAL H H 376 8.132 7.806 0.326 1
1 402 . 14 1 1 A 37 37 VAL HA H 376 4.139 3.985 0.154 1
1 410 . 14 1 1 A 37 37 VAL CA C 376 62.166 64.081 -1.915 1
1 411 . 14 1 1 A 37 37 VAL CB C 376 32.673 31.617 1.056 1
1 414 . 14 1 1 A 37 37 VAL N N 376 121.144 118.945 2.199 1
1 415 . 14 1 1 A 38 38 ARG H H 377 8.455 8.457 -0.002 1
1 416 . 14 1 1 A 38 38 ARG HA H 377 4.392 3.975 0.417 1
1 423 . 14 1 1 A 38 38 ARG CA C 377 55.253 56.949 -1.696 1
1 424 . 14 1 1 A 38 38 ARG CB C 377 31.060 28.725 2.335 1
1 427 . 14 1 1 A 38 38 ARG N N 377 125.109 122.111 2.998 1
1 428 . 14 1 1 A 39 39 ALA H H 378 8.384 7.417 0.967 1
1 429 . 14 1 1 A 39 39 ALA HA H 378 4.287 4.190 0.097 1
1 433 . 14 1 1 A 39 39 ALA CA C 378 52.028 52.777 -0.749 1
1 434 . 14 1 1 A 39 39 ALA CB C 378 19.540 19.703 -0.163 1
1 435 . 14 1 1 A 39 39 ALA N N 378 126.053 121.514 4.539 1
1 436 . 14 1 1 A 40 40 CYS H H 379 8.480 8.026 0.454 1
1 437 . 14 1 1 A 40 40 CYS HA H 379 4.344 4.569 -0.225 1
1 440 . 14 1 1 A 40 40 CYS CA C 379 60.092 58.906 1.186 1
1 441 . 14 1 1 A 40 40 CYS CB C 379 30.138 28.926 1.212 1
1 442 . 14 1 1 A 40 40 CYS N N 379 123.787 120.541 3.246 1
1 443 . 14 1 1 A 41 41 SER HA H 380 4.588 4.675 -0.087 1
1 446 . 14 1 1 A 41 41 SER CA C 380 57.788 58.130 -0.342 1
1 447 . 14 1 1 A 41 41 SER CB C 380 63.779 65.376 -1.597 1
1 448 . 14 1 1 A 42 42 LEU H H 381 8.642 7.003 1.639 1
1 449 . 14 1 1 A 42 42 LEU HA H 381 4.488 4.325 0.163 1
1 459 . 14 1 1 A 42 42 LEU CA C 381 53.871 53.053 0.818 1
1 460 . 14 1 1 A 42 42 LEU CB C 381 41.659 43.047 -1.388 1
1 464 . 14 1 1 A 42 42 LEU N N 381 129.074 123.867 5.207 1
1 465 . 14 1 1 A 43 43 PRO HA H 382 4.095 4.080 0.015 1
1 472 . 14 1 1 A 43 43 PRO CA C 382 64.470 65.080 -0.610 1
1 473 . 14 1 1 A 43 43 PRO CB C 382 31.751 31.635 0.116 1
1 476 . 14 1 1 A 44 44 HIS H H 383 8.014 8.070 -0.056 1
1 477 . 14 1 1 A 44 44 HIS HA H 383 4.527 4.922 -0.395 1
1 482 . 14 1 1 A 44 44 HIS CA C 383 58.249 55.090 3.159 1
1 483 . 14 1 1 A 44 44 HIS CB C 383 30.369 30.183 0.186 1
1 486 . 14 1 1 A 44 44 HIS N N 383 110.569 113.671 -3.102 1
1 487 . 14 1 1 A 45 45 CYS H H 384 7.729 7.959 -0.230 1
1 488 . 14 1 1 A 45 45 CYS HA H 384 4.023 3.915 0.108 1
1 491 . 14 1 1 A 45 45 CYS CA C 384 64.470 62.673 1.797 1
1 492 . 14 1 1 A 45 45 CYS CB C 384 28.756 26.645 2.111 1
1 493 . 14 1 1 A 45 45 CYS N N 384 124.165 120.613 3.552 1
1 494 . 14 1 1 A 46 46 ARG H H 385 8.239 8.096 0.143 1
1 495 . 14 1 1 A 46 46 ARG HA H 385 3.978 4.121 -0.143 1
1 502 . 14 1 1 A 46 46 ARG CA C 385 59.401 58.734 0.667 1
1 503 . 14 1 1 A 46 46 ARG CB C 385 28.986 29.948 -0.962 1
1 506 . 14 1 1 A 46 46 ARG N N 385 116.612 119.320 -2.708 1
1 507 . 14 1 1 A 47 47 THR H H 386 7.496 7.906 -0.410 1
1 508 . 14 1 1 A 47 47 THR HA H 386 4.008 3.905 0.103 1
1 513 . 14 1 1 A 47 47 THR CA C 386 65.853 67.086 -1.233 1
1 514 . 14 1 1 A 47 47 THR CB C 386 68.387 68.459 -0.072 1
1 516 . 14 1 1 A 47 47 THR N N 386 114.346 116.472 -2.126 1
1 517 . 14 1 1 A 48 48 MET H H 387 8.216 8.066 0.150 1
1 518 . 14 1 1 A 48 48 MET HA H 387 4.622 4.060 0.562 1
1 526 . 14 1 1 A 48 48 MET CA C 387 56.636 59.182 -2.546 1
1 527 . 14 1 1 A 48 48 MET CB C 387 31.291 32.944 -1.653 1
1 530 . 14 1 1 A 48 48 MET N N 387 119.444 118.325 1.119 1
1 531 . 14 1 1 A 49 49 LYS H H 388 9.306 8.293 1.013 1
1 532 . 14 1 1 A 49 49 LYS HA H 388 3.923 4.036 -0.113 1
1 541 . 14 1 1 A 49 49 LYS CA C 388 61.244 60.272 0.972 1
1 542 . 14 1 1 A 49 49 LYS CB C 388 32.903 32.357 0.546 1
1 546 . 14 1 1 A 49 49 LYS N N 388 122.276 118.129 4.147 1
1 547 . 14 1 1 A 50 50 ASN H H 389 8.069 8.022 0.047 1
1 548 . 14 1 1 A 50 50 ASN HA H 389 4.629 4.608 0.021 1
1 553 . 14 1 1 A 50 50 ASN CA C 389 56.175 56.202 -0.027 1
1 554 . 14 1 1 A 50 50 ASN CB C 389 37.512 38.720 -1.208 1
1 555 . 14 1 1 A 50 50 ASN N N 389 117.178 118.091 -0.913 1
1 557 . 14 1 1 A 51 51 VAL H H 390 8.116 7.826 0.290 1
1 558 . 14 1 1 A 51 51 VAL HA H 390 3.803 3.660 0.143 1
1 566 . 14 1 1 A 51 51 VAL CA C 390 67.235 66.747 0.488 1
1 567 . 14 1 1 A 51 51 VAL CB C 390 31.751 31.588 0.163 1
1 570 . 14 1 1 A 51 51 VAL N N 390 123.598 120.028 3.570 1
1 571 . 14 1 1 A 52 52 LEU H H 391 8.735 8.613 0.122 1
1 572 . 14 1 1 A 52 52 LEU HA H 391 4.123 3.975 0.148 1
1 582 . 14 1 1 A 52 52 LEU CA C 391 58.479 58.271 0.208 1
1 583 . 14 1 1 A 52 52 LEU CB C 391 41.659 41.425 0.234 1
1 587 . 14 1 1 A 52 52 LEU N N 391 120.955 119.801 1.154 1
1 588 . 14 1 1 A 53 53 ASN H H 392 8.231 8.392 -0.161 1
1 589 . 14 1 1 A 53 53 ASN HA H 392 4.561 4.452 0.109 1
1 594 . 14 1 1 A 53 53 ASN CA C 392 56.175 56.491 -0.316 1
1 595 . 14 1 1 A 53 53 ASN CB C 392 38.433 39.299 -0.866 1
1 596 . 14 1 1 A 53 53 ASN N N 392 116.801 117.505 -0.704 1
1 598 . 14 1 1 A 54 54 HIS H H 393 8.049 8.292 -0.243 1
1 599 . 14 1 1 A 54 54 HIS HA H 393 4.418 4.323 0.095 1
1 604 . 14 1 1 A 54 54 HIS CA C 393 59.401 60.125 -0.724 1
1 605 . 14 1 1 A 54 54 HIS CB C 393 27.604 29.887 -2.283 1
1 608 . 14 1 1 A 54 54 HIS N N 393 120.011 119.638 0.373 1
1 609 . 14 1 1 A 55 55 MET H H 394 9.118 8.656 0.462 1
1 610 . 14 1 1 A 55 55 MET HA H 394 3.704 3.998 -0.294 1
1 618 . 14 1 1 A 55 55 MET CA C 394 59.401 58.479 0.922 1
1 619 . 14 1 1 A 55 55 MET CB C 394 34.286 32.503 1.783 1
1 622 . 14 1 1 A 55 55 MET N N 394 119.066 116.905 2.161 1
1 623 . 14 1 1 A 56 56 THR H H 395 7.521 7.513 0.008 1
1 624 . 14 1 1 A 56 56 THR HA H 395 3.915 4.177 -0.262 1
1 629 . 14 1 1 A 56 56 THR CA C 395 65.392 63.716 1.676 1
1 630 . 14 1 1 A 56 56 THR CB C 395 69.309 67.895 1.414 1
1 632 . 14 1 1 A 56 56 THR N N 395 110.758 115.547 -4.789 1
1 633 . 14 1 1 A 57 57 HIS H H 396 7.023 7.823 -0.800 1
1 634 . 14 1 1 A 57 57 HIS HA H 396 4.846 4.716 0.130 1
1 639 . 14 1 1 A 57 57 HIS CA C 396 55.023 56.388 -1.365 1
1 640 . 14 1 1 A 57 57 HIS CB C 396 30.830 31.720 -0.890 1
1 643 . 14 1 1 A 57 57 HIS N N 396 115.668 116.148 -0.480 1
1 644 . 14 1 1 A 58 58 CYS H H 397 7.134 7.543 -0.409 1
1 645 . 14 1 1 A 58 58 CYS HA H 397 4.048 4.216 -0.168 1
1 648 . 14 1 1 A 58 58 CYS CA C 397 60.784 59.951 0.833 1
1 649 . 14 1 1 A 58 58 CYS CB C 397 29.678 27.903 1.775 1
1 650 . 14 1 1 A 58 58 CYS N N 397 123.598 118.179 5.419 1
1 651 . 14 1 1 A 59 59 GLN HA H 398 4.710 4.719 -0.009 1
1 656 . 14 1 1 A 59 59 GLN CA C 398 55.023 55.550 -0.527 1
1 657 . 14 1 1 A 59 59 GLN CB C 398 29.678 29.861 -0.183 1
1 659 . 14 1 1 A 60 60 ALA H H 399 8.689 7.492 1.197 1
1 660 . 14 1 1 A 60 60 ALA HA H 399 4.414 4.275 0.139 1
1 664 . 14 1 1 A 60 60 ALA CA C 399 52.949 52.010 0.939 1
1 665 . 14 1 1 A 60 60 ALA CB C 399 20.001 18.978 1.023 1
1 666 . 14 1 1 A 60 60 ALA N N 399 124.731 123.228 1.503 1
1 667 . 14 1 1 A 61 61 GLY H H 400 8.166 8.308 -0.142 1
1 668 . 14 1 1 A 61 61 GLY HA2 H 400 3.621 3.864 -0.243 1
1 669 . 14 1 1 A 61 61 GLY HA3 H 400 3.976 3.866 0.110 1
1 670 . 14 1 1 A 61 61 GLY CA C 400 46.267 46.802 -0.535 1
1 671 . 14 1 1 A 61 61 GLY N N 400 107.926 107.051 0.875 1
1 672 . 14 1 1 A 62 62 LYS HA H 401 4.138 4.439 -0.301 1
1 673 . 14 1 1 A 62 62 LYS CA C 401 58.479 56.419 2.060 1
1 674 . 14 1 1 A 63 63 ALA H H 402 7.671 7.663 0.008 1
1 675 . 14 1 1 A 63 63 ALA HA H 402 4.448 4.523 -0.075 1
1 679 . 14 1 1 A 63 63 ALA CA C 402 51.336 51.309 0.027 1
1 680 . 14 1 1 A 63 63 ALA CB C 402 19.079 20.523 -1.444 1
1 681 . 14 1 1 A 63 63 ALA N N 402 119.444 121.989 -2.545 1
1 682 . 14 1 1 A 64 64 CYS H H 403 7.497 7.639 -0.142 1
1 683 . 14 1 1 A 64 64 CYS HA H 403 3.857 4.364 -0.507 1
1 686 . 14 1 1 A 64 64 CYS CA C 403 62.396 59.548 2.848 1
1 687 . 14 1 1 A 64 64 CYS CB C 403 29.908 28.471 1.437 1
1 688 . 14 1 1 A 64 64 CYS N N 403 121.899 118.511 3.388 1
1 689 . 14 1 1 A 65 65 GLN H H 404 9.025 8.720 0.305 1
1 690 . 14 1 1 A 65 65 GLN HA H 404 4.463 4.072 0.391 1
1 697 . 14 1 1 A 65 65 GLN CA C 404 55.673 57.572 -1.899 1
1 698 . 14 1 1 A 65 65 GLN CB C 404 29.332 28.745 0.587 1
1 700 . 14 1 1 A 65 65 GLN N N 404 128.885 125.575 3.310 1
1 702 . 14 1 1 A 66 66 VAL H H 405 9.337 7.261 2.076 1
1 703 . 14 1 1 A 66 66 VAL HA H 405 3.631 4.161 -0.530 1
1 711 . 14 1 1 A 66 66 VAL CA C 405 64.240 62.603 1.637 1
1 712 . 14 1 1 A 66 66 VAL CB C 405 30.830 30.950 -0.120 1
1 715 . 14 1 1 A 66 66 VAL N N 405 127.752 118.860 8.892 1
1 716 . 14 1 1 A 67 67 ALA H H 406 8.581 8.705 -0.124 1
1 717 . 14 1 1 A 67 67 ALA HA H 406 3.761 3.901 -0.140 1
1 721 . 14 1 1 A 67 67 ALA CA C 406 54.101 55.330 -1.229 1
1 722 . 14 1 1 A 67 67 ALA CB C 406 17.467 18.235 -0.768 1
1 723 . 14 1 1 A 67 67 ALA N N 406 133.983 130.628 3.355 1
1 724 . 14 1 1 A 68 68 HIS H H 407 8.099 7.575 0.524 1
1 725 . 14 1 1 A 68 68 HIS HA H 407 4.407 4.464 -0.057 1
1 730 . 14 1 1 A 68 68 HIS CA C 407 57.327 58.880 -1.553 1
1 731 . 14 1 1 A 68 68 HIS CB C 407 29.447 29.346 0.101 1
1 734 . 14 1 1 A 68 68 HIS N N 407 110.569 114.751 -4.182 1
1 735 . 14 1 1 A 69 69 CYS H H 408 8.086 7.699 0.387 1
1 736 . 14 1 1 A 69 69 CYS HA H 408 4.163 4.101 0.062 1
1 739 . 14 1 1 A 69 69 CYS CA C 408 64.240 62.212 2.028 1
1 740 . 14 1 1 A 69 69 CYS CB C 408 29.908 27.127 2.781 1
1 741 . 14 1 1 A 69 69 CYS N N 408 126.619 118.902 7.717 1
1 742 . 14 1 1 A 70 70 ALA H H 409 8.728 7.738 0.990 1
1 743 . 14 1 1 A 70 70 ALA HA H 409 4.333 4.092 0.241 1
1 747 . 14 1 1 A 70 70 ALA CA C 409 55.253 55.450 -0.197 1
1 748 . 14 1 1 A 70 70 ALA CB C 409 17.697 18.141 -0.444 1
1 749 . 14 1 1 A 70 70 ALA N N 409 118.689 123.104 -4.415 1
1 750 . 14 1 1 A 71 71 SER H H 410 9.179 8.237 0.942 1
1 751 . 14 1 1 A 71 71 SER HA H 410 4.138 4.219 -0.081 1
1 754 . 14 1 1 A 71 71 SER CA C 410 60.323 61.692 -1.369 1
1 755 . 14 1 1 A 71 71 SER CB C 410 61.244 62.648 -1.404 1
1 756 . 14 1 1 A 71 71 SER N N 410 114.535 113.210 1.325 1
1 757 . 14 1 1 A 72 72 SER H H 411 7.937 8.121 -0.184 1
1 758 . 14 1 1 A 72 72 SER HA H 411 4.048 4.140 -0.092 1
1 762 . 14 1 1 A 72 72 SER CA C 411 64.240 61.863 2.377 1
1 763 . 14 1 1 A 72 72 SER CB C 411 62.396 62.864 -0.468 1
1 764 . 14 1 1 A 72 72 SER N N 411 120.766 117.092 3.674 1
1 765 . 14 1 1 A 73 73 ARG H H 412 8.835 8.341 0.494 1
1 766 . 14 1 1 A 73 73 ARG HA H 412 3.855 3.935 -0.080 1
1 773 . 14 1 1 A 73 73 ARG CA C 412 60.323 59.880 0.443 1
1 774 . 14 1 1 A 73 73 ARG CB C 412 30.369 29.940 0.429 1
1 777 . 14 1 1 A 73 73 ARG N N 412 122.276 121.377 0.899 1
1 778 . 14 1 1 A 74 74 GLN H H 413 7.873 7.442 0.431 1
1 779 . 14 1 1 A 74 74 GLN HA H 413 4.182 4.162 0.020 1
1 786 . 14 1 1 A 74 74 GLN CA C 413 58.710 58.625 0.085 1
1 787 . 14 1 1 A 74 74 GLN CB C 413 29.447 28.522 0.925 1
1 789 . 14 1 1 A 74 74 GLN N N 413 118.689 118.641 0.048 1
1 791 . 14 1 1 A 75 75 ILE H H 414 8.754 8.345 0.409 1
1 792 . 14 1 1 A 75 75 ILE HA H 414 3.617 3.924 -0.307 1
1 802 . 14 1 1 A 75 75 ILE CA C 414 66.544 64.764 1.780 1
1 803 . 14 1 1 A 75 75 ILE CB C 414 38.664 37.360 1.304 1
1 807 . 14 1 1 A 75 75 ILE N N 414 121.710 119.855 1.855 1
1 808 . 14 1 1 A 76 76 ILE H H 415 8.856 8.364 0.492 1
1 809 . 14 1 1 A 76 76 ILE HA H 415 3.863 3.612 0.251 1
1 819 . 14 1 1 A 76 76 ILE CA C 415 64.701 65.279 -0.578 1
1 820 . 14 1 1 A 76 76 ILE CB C 415 37.051 37.682 -0.631 1
1 824 . 14 1 1 A 76 76 ILE N N 415 120.199 122.991 -2.792 1
1 825 . 14 1 1 A 77 77 SER H H 416 7.981 8.019 -0.038 1
1 826 . 14 1 1 A 77 77 SER HA H 416 4.153 4.216 -0.063 1
1 829 . 14 1 1 A 77 77 SER CA C 416 62.166 62.174 -0.008 1
1 830 . 14 1 1 A 77 77 SER CB C 416 62.627 62.998 -0.371 1
1 831 . 14 1 1 A 77 77 SER N N 416 114.346 116.239 -1.893 1
1 832 . 14 1 1 A 78 78 HIS H H 417 8.126 7.492 0.634 1
1 833 . 14 1 1 A 78 78 HIS HA H 417 4.154 4.321 -0.167 1
1 838 . 14 1 1 A 78 78 HIS CA C 417 60.553 59.613 0.940 1
1 839 . 14 1 1 A 78 78 HIS CB C 417 28.065 30.372 -2.307 1
1 842 . 14 1 1 A 78 78 HIS N N 417 118.878 121.385 -2.507 1
1 843 . 14 1 1 A 79 79 TRP H H 418 8.417 7.834 0.583 1
1 844 . 14 1 1 A 79 79 TRP HA H 418 4.451 4.189 0.262 1
1 853 . 14 1 1 A 79 79 TRP CA C 418 59.862 60.314 -0.452 1
1 854 . 14 1 1 A 79 79 TRP CB C 418 30.369 29.694 0.675 1
1 860 . 14 1 1 A 79 79 TRP N N 418 119.255 121.349 -2.094 1
1 862 . 14 1 1 A 80 80 LYS H H 419 8.412 8.268 0.144 1
1 863 . 14 1 1 A 80 80 LYS HA H 419 3.714 4.009 -0.295 1
1 872 . 14 1 1 A 80 80 LYS CA C 419 58.710 58.208 0.502 1
1 873 . 14 1 1 A 80 80 LYS CB C 419 32.673 32.134 0.539 1
1 877 . 14 1 1 A 80 80 LYS N N 419 115.101 118.248 -3.147 1
1 878 . 14 1 1 A 81 81 ASN H H 420 7.416 8.134 -0.718 1
1 879 . 14 1 1 A 81 81 ASN HA H 420 4.713 4.985 -0.272 1
1 884 . 14 1 1 A 81 81 ASN CA C 420 53.410 53.269 0.141 1
1 885 . 14 1 1 A 81 81 ASN CB C 420 40.737 40.698 0.039 1
1 886 . 14 1 1 A 81 81 ASN N N 420 113.968 113.626 0.342 1
1 888 . 14 1 1 A 82 82 CYS H H 421 7.617 7.673 -0.056 1
1 889 . 14 1 1 A 82 82 CYS HA H 421 3.986 4.255 -0.269 1
1 892 . 14 1 1 A 82 82 CYS CA C 421 61.244 59.989 1.255 1
1 893 . 14 1 1 A 82 82 CYS CB C 421 28.756 27.828 0.928 1
1 894 . 14 1 1 A 82 82 CYS N N 421 124.354 118.950 5.404 1
1 895 . 14 1 1 A 83 83 THR H H 422 8.535 8.524 0.011 1
1 896 . 14 1 1 A 83 83 THR HA H 422 4.527 4.643 -0.116 1
1 901 . 14 1 1 A 83 83 THR CA C 422 60.553 61.178 -0.625 1
1 902 . 14 1 1 A 83 83 THR CB C 422 69.309 70.787 -1.478 1
1 904 . 14 1 1 A 83 83 THR N N 422 118.500 116.636 1.864 1
1 905 . 14 1 1 A 84 84 ARG HA H 423 4.448 4.097 0.351 1
1 912 . 14 1 1 A 84 84 ARG CA C 423 56.175 56.605 -0.430 1
1 913 . 14 1 1 A 84 84 ARG CB C 423 31.521 31.278 0.243 1
1 916 . 14 1 1 A 85 85 HIS HA H 424 4.391 4.495 -0.104 1
1 921 . 14 1 1 A 85 85 HIS CA C 424 58.479 57.888 0.591 1
1 922 . 14 1 1 A 85 85 HIS CB C 424 30.138 29.058 1.080 1
1 925 . 14 1 1 A 86 86 ASP H H 425 7.962 8.037 -0.075 1
1 926 . 14 1 1 A 86 86 ASP HA H 425 4.525 4.709 -0.184 1
1 929 . 14 1 1 A 86 86 ASP CA C 425 51.567 53.116 -1.549 1
1 930 . 14 1 1 A 86 86 ASP CB C 425 39.585 41.541 -1.956 1
1 931 . 14 1 1 A 86 86 ASP N N 425 116.612 116.351 0.261 1
1 932 . 14 1 1 A 87 87 CYS H H 426 6.974 6.927 0.047 1
1 933 . 14 1 1 A 87 87 CYS HA H 426 4.247 4.411 -0.164 1
1 936 . 14 1 1 A 87 87 CYS CA C 426 57.558 57.815 -0.257 1
1 937 . 14 1 1 A 87 87 CYS CB C 426 31.291 28.677 2.614 1
1 938 . 14 1 1 A 87 87 CYS N N 426 122.276 120.589 1.687 1
1 939 . 14 1 1 A 88 88 PRO HA H 427 4.445 4.308 0.137 1
1 944 . 14 1 1 A 88 88 PRO CA C 427 64.009 65.477 -1.468 1
1 945 . 14 1 1 A 88 88 PRO CB C 427 32.558 31.792 0.766 1
1 947 . 14 1 1 A 89 89 VAL H H 428 8.460 7.308 1.152 1
1 948 . 14 1 1 A 89 89 VAL HA H 428 3.719 3.776 -0.057 1
1 956 . 14 1 1 A 89 89 VAL CA C 428 65.622 65.613 0.009 1
1 957 . 14 1 1 A 89 89 VAL CB C 428 33.134 31.596 1.538 1
1 960 . 14 1 1 A 89 89 VAL N N 428 119.822 115.820 4.002 1
1 961 . 14 1 1 A 90 90 CYS H H 429 8.729 8.222 0.507 1
1 962 . 14 1 1 A 90 90 CYS HA H 429 4.225 4.256 -0.031 1
1 965 . 14 1 1 A 90 90 CYS CA C 429 63.779 63.148 0.631 1
1 966 . 14 1 1 A 90 90 CYS CB C 429 31.291 26.942 4.349 1
1 967 . 14 1 1 A 90 90 CYS N N 429 118.878 117.737 1.141 1
1 968 . 14 1 1 A 91 91 LEU H H 430 7.907 8.213 -0.306 1
1 969 . 14 1 1 A 91 91 LEU HA H 430 4.214 4.112 0.102 1
1 979 . 14 1 1 A 91 91 LEU CA C 430 60.323 60.288 0.035 1
1 980 . 14 1 1 A 91 91 LEU CB C 430 39.125 40.114 -0.989 1
1 984 . 14 1 1 A 91 91 LEU N N 430 118.878 123.015 -4.137 1
1 985 . 14 1 1 A 92 92 PRO HA H 431 4.460 4.315 0.145 1
1 992 . 14 1 1 A 92 92 PRO CA C 431 65.161 66.159 -0.998 1
1 993 . 14 1 1 A 92 92 PRO CB C 431 31.291 30.833 0.458 1
1 996 . 14 1 1 A 93 93 LEU H H 432 7.459 7.405 0.054 1
1 997 . 14 1 1 A 93 93 LEU HA H 432 4.359 3.849 0.510 1
1 1007 . 14 1 1 A 93 93 LEU CA C 432 55.945 57.456 -1.511 1
1 1008 . 14 1 1 A 93 93 LEU CB C 432 42.350 41.050 1.300 1
1 1012 . 14 1 1 A 93 93 LEU N N 432 115.290 116.231 -0.941 1
1 1013 . 14 1 1 A 94 94 LYS H H 433 7.975 8.554 -0.579 1
1 1014 . 14 1 1 A 94 94 LYS HA H 433 4.390 4.257 0.133 1
1 1022 . 14 1 1 A 94 94 LYS CA C 433 57.558 59.469 -1.911 1
1 1023 . 14 1 1 A 94 94 LYS CB C 433 33.134 32.258 0.876 1
1 1027 . 14 1 1 A 94 94 LYS N N 433 119.255 117.573 1.682 1
1 1028 . 14 1 1 A 95 95 ASN H H 434 8.368 7.844 0.524 1
1 1029 . 14 1 1 A 95 95 ASN HA H 434 4.733 4.610 0.123 1
1 1034 . 14 1 1 A 95 95 ASN CA C 434 53.410 55.665 -2.255 1
1 1035 . 14 1 1 A 95 95 ASN CB C 434 38.894 38.516 0.378 1
1 1036 . 14 1 1 A 95 95 ASN N N 434 117.934 117.785 0.149 1
1 1038 . 14 1 1 A 96 96 ALA H H 435 8.040 8.016 0.024 1
1 1039 . 14 1 1 A 96 96 ALA HA H 435 4.376 4.192 0.184 1
1 1043 . 14 1 1 A 96 96 ALA CA C 435 52.949 55.075 -2.126 1
1 1044 . 14 1 1 A 96 96 ALA CB C 435 19.310 18.556 0.754 1
1 1045 . 14 1 1 A 96 96 ALA N N 435 123.221 121.360 1.861 1
1 1046 . 14 1 1 A 97 97 SER H H 436 8.138 7.654 0.484 1
1 1047 . 14 1 1 A 97 97 SER HA H 436 4.450 4.546 -0.096 1
1 1050 . 14 1 1 A 97 97 SER CA C 436 58.710 57.752 0.958 1
1 1051 . 14 1 1 A 97 97 SER CB C 436 63.779 61.732 2.047 1
1 1052 . 14 1 1 A 97 97 SER N N 436 113.591 112.303 1.288 1
1 1053 . 14 1 1 A 98 98 ASP H H 437 8.214 7.504 0.710 1
1 1054 . 14 1 1 A 98 98 ASP HA H 437 4.662 4.960 -0.298 1
1 1057 . 14 1 1 A 98 98 ASP CA C 437 54.332 53.374 0.958 1
1 1058 . 14 1 1 A 98 98 ASP CB C 437 41.198 44.661 -3.463 1
1 1059 . 14 1 1 A 98 98 ASP N N 437 121.521 123.996 -2.475 1
1 1060 . 14 1 1 A 99 99 LYS H H 438 8.062 8.646 -0.584 1
1 1061 . 14 1 1 A 99 99 LYS HA H 438 4.363 4.405 -0.042 1
1 1070 . 14 1 1 A 99 99 LYS CA C 438 55.945 55.539 0.406 1
1 1071 . 14 1 1 A 99 99 LYS CB C 438 32.720 30.970 1.750 1
1 1075 . 14 1 1 A 99 99 LYS N N 438 121.144 124.746 -3.602 1
1 1092 . 14 2 2 B 2 2 SER HA H 783 4.524 4.315 0.209 1
1 1095 . 14 2 2 B 2 2 SER CA C 783 58.053 61.137 -3.084 1
1 1096 . 14 2 2 B 2 2 SER CB C 783 64.502 62.805 1.697 1
1 1097 . 14 2 2 B 3 3 HIS HA H 784 4.721 4.813 -0.092 1
1 1102 . 14 2 2 B 3 3 HIS CA C 784 55.750 55.411 0.339 1
1 1103 . 14 2 2 B 3 3 HIS CB C 784 30.167 30.791 -0.624 1
1 1106 . 14 2 2 B 4 4 MET HA H 785 4.495 4.188 0.307 1
1 1114 . 14 2 2 B 4 4 MET CA C 785 55.058 56.923 -1.865 1
1 1115 . 14 2 2 B 4 4 MET CB C 785 32.727 32.562 0.165 1
1 1118 . 14 2 2 B 5 5 VAL H H 786 8.163 7.263 0.900 1
1 1119 . 14 2 2 B 5 5 VAL HA H 786 4.464 4.695 -0.231 1
1 1127 . 14 2 2 B 5 5 VAL CA C 786 59.478 58.163 1.315 1
1 1128 . 14 2 2 B 5 5 VAL CB C 786 32.606 34.178 -1.572 1
1 1131 . 14 2 2 B 5 5 VAL N N 786 122.854 115.193 7.661 1
1 1132 . 14 2 2 B 6 6 PRO HA H 787 4.437 4.547 -0.110 1
1 1137 . 14 2 2 B 6 6 PRO CA C 787 62.667 63.732 -1.065 1
1 1138 . 14 2 2 B 6 6 PRO CB C 787 32.010 32.594 -0.584 1
1 1140 . 14 2 2 B 7 7 GLU H H 788 8.306 7.954 0.352 1
1 1141 . 14 2 2 B 7 7 GLU HA H 788 4.654 4.477 0.177 1
1 1146 . 14 2 2 B 7 7 GLU CA C 788 53.568 54.493 -0.925 1
1 1147 . 14 2 2 B 7 7 GLU CB C 788 30.011 30.587 -0.576 1
1 1149 . 14 2 2 B 7 7 GLU N N 788 123.231 120.847 2.384 1
1 1150 . 14 2 2 B 8 8 PRO HA H 789 4.490 4.556 -0.066 1
1 1157 . 14 2 2 B 8 8 PRO CA C 789 62.253 62.818 -0.565 1
1 1158 . 14 2 2 B 8 8 PRO CB C 789 32.483 32.304 0.179 1
1 1161 . 14 2 2 B 9 9 ASP H H 790 8.272 8.493 -0.221 1
1 1162 . 14 2 2 B 9 9 ASP HA H 790 4.456 4.634 -0.178 1
1 1165 . 14 2 2 B 9 9 ASP CA C 790 54.137 54.204 -0.067 1
1 1166 . 14 2 2 B 9 9 ASP CB C 790 41.016 40.430 0.586 1
1 1167 . 14 2 2 B 9 9 ASP N N 790 118.511 120.159 -1.648 1
1 1168 . 14 2 2 B 10 10 LEU H H 791 8.463 8.330 0.133 1
1 1169 . 14 2 2 B 10 10 LEU HA H 791 4.356 4.333 0.023 1
1 1179 . 14 2 2 B 10 10 LEU CA C 791 52.531 53.354 -0.823 1
1 1180 . 14 2 2 B 10 10 LEU CB C 791 42.609 43.172 -0.563 1
1 1184 . 14 2 2 B 10 10 LEU N N 791 121.343 126.638 -5.295 1
1 1185 . 14 2 2 B 11 11 PRO HA H 792 4.553 4.548 0.005 1
1 1192 . 14 2 2 B 11 11 PRO CA C 792 62.788 63.210 -0.422 1
1 1193 . 14 2 2 B 11 11 PRO CB C 792 32.716 32.188 0.528 1
1 1196 . 14 2 2 B 12 12 HIS HA H 793 3.989 4.158 -0.169 1
1 1201 . 14 2 2 B 12 12 HIS CA C 793 60.326 60.208 0.118 1
1 1202 . 14 2 2 B 12 12 HIS CB C 793 30.803 30.565 0.238 1
1 1205 . 14 2 2 B 13 13 ASP H H 794 8.938 8.949 -0.011 1
1 1206 . 14 2 2 B 13 13 ASP HA H 794 4.460 4.350 0.110 1
1 1209 . 14 2 2 B 13 13 ASP CA C 794 54.581 56.834 -2.253 1
1 1210 . 14 2 2 B 13 13 ASP CB C 794 38.061 39.527 -1.466 1
1 1211 . 14 2 2 B 13 13 ASP N N 794 114.734 118.751 -4.017 1
1 1212 . 14 2 2 B 14 14 LEU H H 795 7.674 7.746 -0.072 1
1 1213 . 14 2 2 B 14 14 LEU HA H 795 4.546 4.271 0.275 1
1 1223 . 14 2 2 B 14 14 LEU CA C 795 53.478 55.858 -2.380 1
1 1224 . 14 2 2 B 14 14 LEU CB C 795 43.597 42.239 1.358 1
1 1228 . 14 2 2 B 14 14 LEU N N 795 116.056 119.780 -3.724 1
1 1229 . 14 2 2 B 15 15 ARG H H 796 7.225 8.044 -0.819 1
1 1230 . 14 2 2 B 15 15 ARG HA H 796 3.809 3.862 -0.053 1
1 1237 . 14 2 2 B 15 15 ARG CA C 796 58.744 59.695 -0.951 1
1 1238 . 14 2 2 B 15 15 ARG CB C 796 30.413 29.795 0.618 1
1 1241 . 14 2 2 B 15 15 ARG N N 796 116.434 119.596 -3.162 1
1 1242 . 14 2 2 B 16 16 HIS HA H 797 4.703 4.436 0.267 1
1 1247 . 14 2 2 B 16 16 HIS CA C 797 55.289 58.572 -3.283 1
1 1248 . 14 2 2 B 16 16 HIS CB C 797 29.538 29.915 -0.377 1
1 1251 . 14 2 2 B 17 17 LEU H H 798 6.982 7.265 -0.283 1
1 1252 . 14 2 2 B 17 17 LEU HA H 798 4.071 4.102 -0.031 1
1 1262 . 14 2 2 B 17 17 LEU CA C 798 54.807 55.274 -0.467 1
1 1263 . 14 2 2 B 17 17 LEU CB C 798 42.206 42.179 0.027 1
1 1267 . 14 2 2 B 17 17 LEU N N 798 120.399 120.268 0.131 1
1 1268 . 14 2 2 B 18 18 ASN H H 799 8.789 8.613 0.176 1
1 1269 . 14 2 2 B 18 18 ASN HA H 799 4.857 4.868 -0.011 1
1 1274 . 14 2 2 B 18 18 ASN CA C 799 52.166 52.684 -0.518 1
1 1275 . 14 2 2 B 18 18 ASN CB C 799 37.842 38.553 -0.711 1
1 1276 . 14 2 2 B 18 18 ASN N N 799 121.343 123.108 -1.765 1
1 1278 . 14 2 2 B 19 19 THR H H 800 8.585 8.576 0.009 1
1 1279 . 14 2 2 B 19 19 THR HA H 800 4.522 4.348 0.174 1
1 1284 . 14 2 2 B 19 19 THR CA C 800 62.143 63.661 -1.518 1
1 1285 . 14 2 2 B 19 19 THR CB C 800 68.865 69.040 -0.175 1
1 1287 . 14 2 2 B 19 19 THR N N 800 115.301 118.274 -2.973 1
1 1288 . 14 2 2 B 20 20 GLU H H 801 8.415 8.451 -0.036 1
1 1289 . 14 2 2 B 20 20 GLU HA H 801 4.337 4.145 0.192 1
1 1294 . 14 2 2 B 20 20 GLU CA C 801 61.496 62.878 -1.382 1
1 1295 . 14 2 2 B 20 20 GLU CB C 801 26.493 27.671 -1.178 1
1 1297 . 14 2 2 B 20 20 GLU N N 801 125.119 123.000 2.119 1
1 1298 . 14 2 2 B 21 21 PRO HA H 802 4.422 4.271 0.151 1
1 1305 . 14 2 2 B 21 21 PRO CA C 802 64.520 65.430 -0.910 1
1 1306 . 14 2 2 B 21 21 PRO CB C 802 31.355 30.430 0.925 1
1 1309 . 14 2 2 B 22 22 MET H H 803 7.303 7.594 -0.291 1
1 1310 . 14 2 2 B 22 22 MET HA H 803 4.062 4.072 -0.010 1
1 1318 . 14 2 2 B 22 22 MET CA C 803 55.686 57.763 -2.077 1
1 1319 . 14 2 2 B 22 22 MET CB C 803 33.481 31.943 1.538 1
1 1322 . 14 2 2 B 22 22 MET N N 803 110.769 115.065 -4.296 1
1 1323 . 14 2 2 B 23 23 GLU H H 804 7.624 7.736 -0.112 1
1 1324 . 14 2 2 B 23 23 GLU HA H 804 3.918 3.943 -0.025 1
1 1329 . 14 2 2 B 23 23 GLU CA C 804 59.221 59.100 0.121 1
1 1330 . 14 2 2 B 23 23 GLU CB C 804 28.993 29.343 -0.350 1
1 1332 . 14 2 2 B 23 23 GLU N N 804 118.699 118.294 0.405 1
1 1333 . 14 2 2 B 24 24 ILE H H 805 6.626 6.715 -0.089 1
1 1334 . 14 2 2 B 24 24 ILE HA H 805 3.999 3.697 0.302 1
1 1344 . 14 2 2 B 24 24 ILE CA C 805 62.734 63.930 -1.196 1
1 1345 . 14 2 2 B 24 24 ILE CB C 805 37.574 36.995 0.579 1
1 1349 . 14 2 2 B 24 24 ILE N N 805 111.524 116.307 -4.783 1
1 1350 . 14 2 2 B 25 25 PHE H H 806 7.515 7.205 0.310 1
1 1351 . 14 2 2 B 25 25 PHE HA H 806 4.524 4.387 0.137 1
1 1358 . 14 2 2 B 25 25 PHE CA C 806 55.760 61.185 -5.425 1
1 1359 . 14 2 2 B 25 25 PHE CB C 806 38.464 38.730 -0.266 1
1 1362 . 14 2 2 B 25 25 PHE N N 806 118.322 120.995 -2.673 1
1 1363 . 14 2 2 B 26 26 ARG H H 807 7.368 7.747 -0.379 1
1 1364 . 14 2 2 B 26 26 ARG HA H 807 4.024 4.107 -0.083 1
1 1371 . 14 2 2 B 26 26 ARG CA C 807 58.864 59.098 -0.234 1
1 1372 . 14 2 2 B 26 26 ARG CB C 807 30.872 29.985 0.887 1
1 1375 . 14 2 2 B 26 26 ARG N N 807 118.888 121.643 -2.755 1
1 1376 . 14 2 2 B 27 27 ASN H H 808 8.877 8.170 0.707 1
1 1377 . 14 2 2 B 27 27 ASN HA H 808 4.732 4.959 -0.227 1
1 1382 . 14 2 2 B 27 27 ASN CA C 808 53.413 52.442 0.971 1
1 1383 . 14 2 2 B 27 27 ASN CB C 808 38.244 39.300 -1.056 1
1 1384 . 14 2 2 B 27 27 ASN N N 808 117.000 115.690 1.310 1
1 1386 . 14 2 2 B 28 28 SER H H 809 7.969 7.964 0.005 1
1 1387 . 14 2 2 B 28 28 SER HA H 809 4.440 4.769 -0.329 1
1 1390 . 14 2 2 B 28 28 SER CA C 809 60.606 57.944 2.662 1
1 1391 . 14 2 2 B 28 28 SER CB C 809 64.021 64.484 -0.463 1
1 1392 . 14 2 2 B 28 28 SER N N 809 114.356 115.726 -1.370 1
1 1393 . 14 2 2 B 29 29 VAL HA H 810 4.304 4.777 -0.473 1
1 1401 . 14 2 2 B 29 29 VAL CA C 810 60.803 60.504 0.299 1
1 1402 . 14 2 2 B 29 29 VAL CB C 810 34.232 36.421 -2.189 1
1 1405 . 14 2 2 B 30 30 LYS H H 811 8.707 8.581 0.126 1
1 1406 . 14 2 2 B 30 30 LYS HA H 811 4.552 4.642 -0.090 1
1 1415 . 14 2 2 B 30 30 LYS CA C 811 55.058 54.673 0.385 1
1 1416 . 14 2 2 B 30 30 LYS CB C 811 31.782 32.287 -0.505 1
1 1420 . 14 2 2 B 30 30 LYS N N 811 127.196 125.164 2.032 1
1 1421 . 14 2 2 B 31 31 ILE H H 812 8.604 8.304 0.300 1
1 1422 . 14 2 2 B 31 31 ILE HA H 812 3.662 3.723 -0.061 1
1 1432 . 14 2 2 B 31 31 ILE CA C 812 64.066 64.948 -0.882 1
1 1433 . 14 2 2 B 31 31 ILE CB C 812 37.726 37.709 0.017 1
1 1437 . 14 2 2 B 31 31 ILE N N 812 125.497 124.730 0.767 1
1 1438 . 14 2 2 B 32 32 GLU H H 813 9.330 8.279 1.051 1
1 1439 . 14 2 2 B 32 32 GLU HA H 813 4.162 4.143 0.019 1
1 1444 . 14 2 2 B 32 32 GLU CA C 813 58.096 58.182 -0.086 1
1 1445 . 14 2 2 B 32 32 GLU CB C 813 28.834 30.358 -1.524 1
1 1447 . 14 2 2 B 32 32 GLU N N 813 118.888 118.976 -0.088 1
1 1448 . 14 2 2 B 33 33 GLU H H 814 7.742 7.779 -0.037 1
1 1449 . 14 2 2 B 33 33 GLU HA H 814 4.334 4.451 -0.117 1
1 1454 . 14 2 2 B 33 33 GLU CA C 814 56.441 57.095 -0.654 1
1 1455 . 14 2 2 B 33 33 GLU CB C 814 30.396 30.613 -0.217 1
1 1457 . 14 2 2 B 33 33 GLU N N 814 117.566 117.237 0.329 1
1 1458 . 14 2 2 B 34 34 ILE H H 815 7.598 7.692 -0.094 1
1 1459 . 14 2 2 B 34 34 ILE HA H 815 4.216 3.753 0.463 1
1 1469 . 14 2 2 B 34 34 ILE CA C 815 61.047 65.002 -3.955 1
1 1470 . 14 2 2 B 34 34 ILE CB C 815 38.712 38.038 0.674 1
1 1474 . 14 2 2 B 34 34 ILE N N 815 117.566 118.303 -0.737 1
1 1475 . 14 2 2 B 35 35 MET H H 816 8.177 7.633 0.544 1
1 1476 . 14 2 2 B 35 35 MET HA H 816 4.733 4.466 0.267 1
1 1484 . 14 2 2 B 35 35 MET CA C 816 53.461 53.936 -0.475 1
1 1485 . 14 2 2 B 35 35 MET CB C 816 32.025 33.615 -1.590 1
1 1488 . 14 2 2 B 35 35 MET N N 816 122.665 121.431 1.234 1
1 1489 . 14 2 2 B 36 36 PRO HA H 817 4.743 4.409 0.334 1
1 1496 . 14 2 2 B 36 36 PRO CA C 817 62.542 63.704 -1.162 1
1 1497 . 14 2 2 B 36 36 PRO CB C 817 34.328 32.016 2.312 1
1 1500 . 14 2 2 B 37 37 ASN H H 818 8.374 8.205 0.169 1
1 1501 . 14 2 2 B 37 37 ASN HA H 818 4.752 4.414 0.338 1
1 1504 . 14 2 2 B 37 37 ASN CA C 818 52.995 53.928 -0.933 1
1 1505 . 14 2 2 B 37 37 ASN CB C 818 38.705 36.188 2.517 1
1 1506 . 14 2 2 B 37 37 ASN N N 818 117.378 117.122 0.256 1
1 1507 . 14 2 2 B 38 38 GLY H H 819 8.314 8.107 0.207 1
1 1508 . 14 2 2 B 38 38 GLY HA2 H 819 3.937 4.087 -0.150 1
1 1509 . 14 2 2 B 38 38 GLY HA3 H 819 3.994 4.088 -0.094 1
1 1510 . 14 2 2 B 38 38 GLY CA C 819 45.006 45.597 -0.591 1
1 1511 . 14 2 2 B 38 38 GLY N N 819 108.881 106.972 1.909 1
1 1512 . 14 2 2 B 39 39 ASP H H 820 8.157 7.952 0.205 1
1 1513 . 14 2 2 B 39 39 ASP HA H 820 4.939 5.018 -0.079 1
1 1516 . 14 2 2 B 39 39 ASP CA C 820 51.896 50.807 1.089 1
1 1517 . 14 2 2 B 39 39 ASP CB C 820 41.672 43.168 -1.496 1
1 1518 . 14 2 2 B 39 39 ASP N N 820 121.154 119.618 1.536 1
1 1519 . 14 2 2 B 40 40 PRO HA H 821 4.483 4.320 0.163 1
1 1526 . 14 2 2 B 40 40 PRO CA C 821 63.351 65.481 -2.130 1
1 1527 . 14 2 2 B 40 40 PRO CB C 821 32.066 31.664 0.402 1
1 1530 . 14 2 2 B 41 41 LEU H H 822 8.440 7.759 0.681 1
1 1531 . 14 2 2 B 41 41 LEU HA H 822 4.262 4.059 0.203 1
1 1541 . 14 2 2 B 41 41 LEU CA C 822 55.539 57.131 -1.592 1
1 1542 . 14 2 2 B 41 41 LEU CB C 822 41.496 41.056 0.440 1
1 1546 . 14 2 2 B 41 41 LEU N N 822 119.644 119.173 0.471 1
1 1547 . 14 2 2 B 42 42 LEU H H 823 7.863 7.875 -0.012 1
1 1548 . 14 2 2 B 42 42 LEU HA H 823 4.353 4.219 0.134 1
1 1558 . 14 2 2 B 42 42 LEU CA C 823 54.598 56.523 -1.925 1
1 1559 . 14 2 2 B 42 42 LEU CB C 823 42.025 41.108 0.917 1
1 1563 . 14 2 2 B 42 42 LEU N N 823 120.399 118.306 2.093 1
1 1564 . 14 2 2 B 43 43 ALA H H 824 8.022 7.878 0.144 1
1 1565 . 14 2 2 B 43 43 ALA HA H 824 4.330 4.090 0.240 1
1 1569 . 14 2 2 B 43 43 ALA CA C 824 52.539 55.470 -2.931 1
1 1570 . 14 2 2 B 43 43 ALA CB C 824 19.126 18.209 0.917 1
1 1571 . 14 2 2 B 43 43 ALA N N 824 123.420 122.848 0.572 1
1 1572 . 14 2 2 B 44 44 GLY H H 825 8.346 8.448 -0.102 1
1 1573 . 14 2 2 B 44 44 GLY HA2 H 825 3.973 3.923 0.050 1
1 1574 . 14 2 2 B 44 44 GLY HA3 H 825 3.973 3.926 0.047 1
1 1575 . 14 2 2 B 44 44 GLY CA C 825 45.123 46.969 -1.846 1
1 1576 . 14 2 2 B 44 44 GLY N N 825 107.559 105.997 1.562 1
1 1577 . 14 2 2 B 45 45 GLN H H 826 8.204 7.833 0.371 1
1 1578 . 14 2 2 B 45 45 GLN HA H 826 4.377 4.567 -0.190 1
1 1585 . 14 2 2 B 45 45 GLN CA C 826 55.686 54.497 1.189 1
1 1586 . 14 2 2 B 45 45 GLN CB C 826 29.376 29.519 -0.143 1
1 1588 . 14 2 2 B 45 45 GLN N N 826 119.266 117.723 1.543 1
1 1590 . 14 2 2 B 46 46 ASN H H 827 8.556 8.469 0.087 1
1 1591 . 14 2 2 B 46 46 ASN HA H 827 4.824 4.932 -0.108 1
1 1596 . 14 2 2 B 46 46 ASN CA C 827 53.216 52.741 0.475 1
1 1597 . 14 2 2 B 46 46 ASN CB C 827 38.759 39.129 -0.370 1
1 1598 . 14 2 2 B 46 46 ASN N N 827 119.266 119.580 -0.314 1
1 1600 . 14 2 2 B 47 47 THR H H 828 8.127 7.513 0.614 1
1 1601 . 14 2 2 B 47 47 THR HA H 828 4.414 4.432 -0.018 1
1 1606 . 14 2 2 B 47 47 THR CA C 828 61.564 59.829 1.735 1
1 1607 . 14 2 2 B 47 47 THR CB C 828 69.507 70.290 -0.783 1
1 1609 . 14 2 2 B 47 47 THR N N 828 113.790 112.138 1.652 1
1 1610 . 14 2 2 B 48 48 VAL H H 829 8.140 8.445 -0.305 1
1 1611 . 14 2 2 B 48 48 VAL HA H 829 4.091 3.552 0.539 1
1 1619 . 14 2 2 B 48 48 VAL CA C 829 62.146 63.394 -1.248 1
1 1620 . 14 2 2 B 48 48 VAL CB C 829 32.515 31.585 0.930 1
1 1623 . 14 2 2 B 48 48 VAL N N 829 120.776 122.886 -2.110 1
1 1624 . 14 2 2 B 49 49 ASP H H 830 8.287 8.608 -0.321 1
1 1625 . 14 2 2 B 49 49 ASP HA H 830 4.617 4.942 -0.325 1
1 1628 . 14 2 2 B 49 49 ASP CA C 830 54.308 52.693 1.615 1
1 1629 . 14 2 2 B 49 49 ASP CB C 830 41.241 44.461 -3.220 1
1 1630 . 14 2 2 B 49 49 ASP N N 830 123.042 125.242 -2.200 1
1 1631 . 14 2 2 B 50 50 GLU H H 831 8.242 8.990 -0.748 1
1 1632 . 14 2 2 B 50 50 GLU HA H 831 4.261 4.027 0.234 1
1 1637 . 14 2 2 B 50 50 GLU CA C 831 56.521 59.759 -3.238 1
1 1638 . 14 2 2 B 50 50 GLU CB C 831 30.209 29.081 1.128 1
1 1640 . 14 2 2 B 50 50 GLU N N 831 120.776 122.943 -2.167 1
1 1641 . 14 2 2 B 51 51 VAL H H 832 8.044 7.773 0.271 1
1 1642 . 14 2 2 B 51 51 VAL HA H 832 3.988 4.132 -0.144 1
1 1650 . 14 2 2 B 51 51 VAL CA C 832 62.472 63.846 -1.374 1
1 1651 . 14 2 2 B 51 51 VAL CB C 832 32.278 31.657 0.621 1
1 1654 . 14 2 2 B 51 51 VAL N N 832 120.021 116.617 3.404 1
1 1655 . 14 2 2 B 52 52 TYR H H 833 8.148 8.318 -0.170 1
1 1656 . 14 2 2 B 52 52 TYR HA H 833 4.598 4.640 -0.042 1
1 1663 . 14 2 2 B 52 52 TYR CA C 833 57.743 59.139 -1.396 1
1 1664 . 14 2 2 B 52 52 TYR CB C 833 38.702 39.507 -0.805 1
1 1667 . 14 2 2 B 52 52 TYR N N 833 122.854 121.950 0.904 1
1 1668 . 14 2 2 B 53 53 VAL H H 834 7.868 7.115 0.753 1
1 1669 . 14 2 2 B 53 53 VAL HA H 834 4.114 4.721 -0.607 1
1 1677 . 14 2 2 B 53 53 VAL CA C 834 61.508 60.439 1.069 1
1 1678 . 14 2 2 B 53 53 VAL CB C 834 33.010 32.355 0.655 1
1 1681 . 14 2 2 B 53 53 VAL N N 834 121.721 111.839 9.882 1
1 1682 . 14 2 2 B 54 54 SER H H 835 8.237 7.757 0.480 1
1 1683 . 14 2 2 B 54 54 SER HA H 835 4.422 4.662 -0.240 1
1 1686 . 14 2 2 B 54 54 SER CA C 835 57.823 56.896 0.927 1
1 1687 . 14 2 2 B 54 54 SER CB C 835 63.437 65.339 -1.902 1
1 1688 . 14 2 2 B 54 54 SER N N 835 119.077 114.883 4.194 1
1 1689 . 14 2 2 B 55 55 ARG H H 836 8.284 8.291 -0.007 1
1 1690 . 14 2 2 B 55 55 ARG HA H 836 4.701 4.363 0.338 1
1 1697 . 14 2 2 B 55 55 ARG CA C 836 53.601 55.142 -1.541 1
1 1698 . 14 2 2 B 55 55 ARG CB C 836 30.394 30.420 -0.026 1
1 1701 . 14 2 2 B 55 55 ARG N N 836 123.798 123.358 0.440 1
1 1702 . 14 2 2 B 56 56 PRO HA H 837 4.485 4.520 -0.035 1
1 1709 . 14 2 2 B 56 56 PRO CA C 837 63.351 62.469 0.882 1
1 1710 . 14 2 2 B 56 56 PRO CB C 837 31.795 32.650 -0.855 1
1 7 . 15 1 1 A 2 2 THR HA H 341 4.462 5.057 -0.595 1
1 12 . 15 1 1 A 2 2 THR CA C 341 61.936 60.112 1.824 1
1 13 . 15 1 1 A 2 2 THR CB C 341 69.770 72.088 -2.318 1
1 15 . 15 1 1 A 3 3 GLY HA2 H 342 4.141 4.183 -0.042 1
1 16 . 15 1 1 A 3 3 GLY HA3 H 342 4.238 4.184 0.054 1
1 17 . 15 1 1 A 3 3 GLY CA C 342 44.424 45.726 -1.302 1
1 18 . 15 1 1 A 4 4 PRO HA H 343 4.567 4.314 0.253 1
1 25 . 15 1 1 A 4 4 PRO CA C 343 63.088 64.676 -1.588 1
1 26 . 15 1 1 A 4 4 PRO CB C 343 32.443 31.897 0.546 1
1 29 . 15 1 1 A 5 5 THR H H 344 8.284 8.194 0.090 1
1 30 . 15 1 1 A 5 5 THR HA H 344 4.342 4.205 0.137 1
1 35 . 15 1 1 A 5 5 THR CA C 344 61.936 63.064 -1.128 1
1 36 . 15 1 1 A 5 5 THR CB C 344 69.539 69.052 0.487 1
1 38 . 15 1 1 A 5 5 THR N N 344 113.968 110.173 3.795 1
1 39 . 15 1 1 A 6 6 ALA H H 345 8.269 7.619 0.650 1
1 40 . 15 1 1 A 6 6 ALA HA H 345 4.434 4.511 -0.077 1
1 44 . 15 1 1 A 6 6 ALA CA C 345 52.028 52.711 -0.683 1
1 45 . 15 1 1 A 6 6 ALA CB C 345 19.771 21.358 -1.587 1
1 46 . 15 1 1 A 6 6 ALA N N 345 126.619 122.322 4.297 1
1 47 . 15 1 1 A 7 7 ASP H H 346 8.454 8.266 0.188 1
1 48 . 15 1 1 A 7 7 ASP HA H 346 4.917 4.357 0.560 1
1 51 . 15 1 1 A 7 7 ASP CA C 346 52.719 54.777 -2.058 1
1 52 . 15 1 1 A 7 7 ASP CB C 346 41.659 39.298 2.361 1
1 53 . 15 1 1 A 7 7 ASP N N 346 120.766 117.501 3.265 1
1 54 . 15 1 1 A 8 8 PRO HA H 347 4.398 4.328 0.070 1
1 61 . 15 1 1 A 8 8 PRO CA C 347 64.931 65.584 -0.653 1
1 62 . 15 1 1 A 8 8 PRO CB C 347 32.388 31.799 0.589 1
1 65 . 15 1 1 A 9 9 GLU H H 348 8.113 8.030 0.083 1
1 66 . 15 1 1 A 9 9 GLU HA H 348 4.154 4.122 0.032 1
1 71 . 15 1 1 A 9 9 GLU CB C 348 30.138 29.332 0.806 1
1 73 . 15 1 1 A 9 9 GLU N N 348 116.423 118.088 -1.665 1
1 74 . 15 1 1 A 10 10 LYS H H 349 7.699 8.035 -0.336 1
1 75 . 15 1 1 A 10 10 LYS HA H 349 3.982 3.968 0.014 1
1 84 . 15 1 1 A 10 10 LYS CA C 349 60.092 59.448 0.644 1
1 85 . 15 1 1 A 10 10 LYS CB C 349 32.558 32.129 0.429 1
1 89 . 15 1 1 A 10 10 LYS N N 349 119.255 119.953 -0.698 1
1 90 . 15 1 1 A 11 11 ARG H H 350 7.845 8.223 -0.378 1
1 91 . 15 1 1 A 11 11 ARG HA H 350 3.656 3.892 -0.236 1
1 98 . 15 1 1 A 11 11 ARG CA C 350 60.092 59.237 0.855 1
1 99 . 15 1 1 A 11 11 ARG CB C 350 28.295 29.944 -1.649 1
1 102 . 15 1 1 A 11 11 ARG N N 350 117.178 119.531 -2.353 1
1 103 . 15 1 1 A 12 12 LYS H H 351 7.888 7.679 0.209 1
1 104 . 15 1 1 A 12 12 LYS HA H 351 4.198 4.316 -0.118 1
1 109 . 15 1 1 A 12 12 LYS CA C 351 59.631 59.117 0.514 1
1 110 . 15 1 1 A 12 12 LYS CB C 351 32.673 32.276 0.397 1
1 112 . 15 1 1 A 12 12 LYS N N 351 117.745 119.417 -1.672 1
1 113 . 15 1 1 A 13 13 LEU H H 352 7.696 7.974 -0.278 1
1 114 . 15 1 1 A 13 13 LEU HA H 352 4.259 4.095 0.164 1
1 124 . 15 1 1 A 13 13 LEU CA C 352 58.019 58.201 -0.182 1
1 125 . 15 1 1 A 13 13 LEU CB C 352 42.120 41.922 0.198 1
1 129 . 15 1 1 A 13 13 LEU N N 352 119.444 120.159 -0.715 1
1 130 . 15 1 1 A 14 14 ILE H H 353 7.831 7.536 0.295 1
1 131 . 15 1 1 A 14 14 ILE HA H 353 3.648 3.787 -0.139 1
1 141 . 15 1 1 A 14 14 ILE CA C 353 65.392 64.284 1.108 1
1 142 . 15 1 1 A 14 14 ILE CB C 353 38.203 37.655 0.548 1
1 146 . 15 1 1 A 14 14 ILE N N 353 118.311 115.650 2.661 1
1 147 . 15 1 1 A 15 15 GLN H H 354 8.178 7.900 0.278 1
1 148 . 15 1 1 A 15 15 GLN HA H 354 3.791 3.877 -0.086 1
1 155 . 15 1 1 A 15 15 GLN CA C 354 59.631 59.102 0.529 1
1 156 . 15 1 1 A 15 15 GLN CB C 354 30.369 28.406 1.963 1
1 158 . 15 1 1 A 15 15 GLN N N 354 116.423 121.065 -4.642 1
1 160 . 15 1 1 A 16 16 GLN H H 355 8.192 8.188 0.004 1
1 161 . 15 1 1 A 16 16 GLN HA H 355 3.799 4.060 -0.261 1
1 168 . 15 1 1 A 16 16 GLN CA C 355 59.171 59.182 -0.011 1
1 169 . 15 1 1 A 16 16 GLN CB C 355 28.986 28.397 0.589 1
1 171 . 15 1 1 A 16 16 GLN N N 355 117.178 118.721 -1.543 1
1 173 . 15 1 1 A 17 17 GLN H H 356 7.970 7.753 0.217 1
1 174 . 15 1 1 A 17 17 GLN HA H 356 3.136 4.017 -0.881 1
1 181 . 15 1 1 A 17 17 GLN CA C 356 60.323 58.621 1.702 1
1 182 . 15 1 1 A 17 17 GLN CB C 356 27.143 28.144 -1.001 1
1 184 . 15 1 1 A 17 17 GLN N N 356 118.311 119.654 -1.343 1
1 186 . 15 1 1 A 18 18 LEU H H 357 8.408 8.088 0.320 1
1 187 . 15 1 1 A 18 18 LEU HA H 357 3.863 3.977 -0.114 1
1 197 . 15 1 1 A 18 18 LEU CA C 357 58.710 58.356 0.354 1
1 198 . 15 1 1 A 18 18 LEU CB C 357 40.968 41.406 -0.438 1
1 202 . 15 1 1 A 18 18 LEU N N 357 117.934 121.114 -3.180 1
1 203 . 15 1 1 A 19 19 VAL H H 358 8.544 8.238 0.306 1
1 204 . 15 1 1 A 19 19 VAL HA H 358 3.479 3.407 0.072 1
1 212 . 15 1 1 A 19 19 VAL CA C 358 66.544 66.408 0.136 1
1 213 . 15 1 1 A 19 19 VAL CB C 358 31.060 31.542 -0.482 1
1 216 . 15 1 1 A 19 19 VAL N N 358 116.423 118.799 -2.376 1
1 217 . 15 1 1 A 20 20 LEU H H 359 7.820 8.068 -0.248 1
1 218 . 15 1 1 A 20 20 LEU HA H 359 3.952 3.958 -0.006 1
1 228 . 15 1 1 A 20 20 LEU CA C 359 58.019 57.981 0.038 1
1 229 . 15 1 1 A 20 20 LEU CB C 359 42.696 41.411 1.285 1
1 233 . 15 1 1 A 20 20 LEU N N 359 120.955 120.232 0.723 1
1 234 . 15 1 1 A 21 21 LEU H H 360 8.278 8.224 0.054 1
1 235 . 15 1 1 A 21 21 LEU HA H 360 3.868 4.056 -0.188 1
1 245 . 15 1 1 A 21 21 LEU CA C 360 58.710 58.010 0.700 1
1 246 . 15 1 1 A 21 21 LEU CB C 360 42.811 41.581 1.230 1
1 250 . 15 1 1 A 21 21 LEU N N 360 121.144 119.635 1.509 1
1 251 . 15 1 1 A 22 22 LEU H H 361 8.331 8.218 0.113 1
1 252 . 15 1 1 A 22 22 LEU HA H 361 3.919 3.963 -0.044 1
1 262 . 15 1 1 A 22 22 LEU CA C 361 57.788 58.024 -0.236 1
1 263 . 15 1 1 A 22 22 LEU CB C 361 41.083 41.584 -0.501 1
1 267 . 15 1 1 A 22 22 LEU N N 361 118.500 117.726 0.774 1
1 268 . 15 1 1 A 23 23 HIS H H 362 8.620 8.457 0.163 1
1 269 . 15 1 1 A 23 23 HIS HA H 362 4.114 4.270 -0.156 1
1 274 . 15 1 1 A 23 23 HIS CA C 362 60.323 59.616 0.707 1
1 275 . 15 1 1 A 23 23 HIS CB C 362 27.834 29.710 -1.876 1
1 278 . 15 1 1 A 23 23 HIS N N 362 117.934 118.162 -0.228 1
1 279 . 15 1 1 A 24 24 ALA H H 363 9.049 8.319 0.730 1
1 280 . 15 1 1 A 24 24 ALA HA H 363 3.954 3.942 0.012 1
1 284 . 15 1 1 A 24 24 ALA CA C 363 55.253 55.103 0.150 1
1 285 . 15 1 1 A 24 24 ALA CB C 363 19.079 17.868 1.211 1
1 286 . 15 1 1 A 24 24 ALA N N 363 121.710 120.630 1.080 1
1 287 . 15 1 1 A 25 25 HIS H H 364 7.955 8.386 -0.431 1
1 288 . 15 1 1 A 25 25 HIS HA H 364 4.130 4.106 0.024 1
1 293 . 15 1 1 A 25 25 HIS CA C 364 60.092 59.658 0.434 1
1 294 . 15 1 1 A 25 25 HIS CB C 364 31.060 29.600 1.460 1
1 297 . 15 1 1 A 25 25 HIS N N 364 115.856 118.491 -2.635 1
1 298 . 15 1 1 A 26 26 LYS H H 365 7.053 7.425 -0.372 1
1 299 . 15 1 1 A 26 26 LYS HA H 365 4.014 3.843 0.171 1
1 302 . 15 1 1 A 26 26 LYS CA C 365 57.788 58.762 -0.974 1
1 303 . 15 1 1 A 26 26 LYS CB C 365 32.903 32.296 0.607 1
1 304 . 15 1 1 A 26 26 LYS N N 365 117.178 118.995 -1.817 1
1 305 . 15 1 1 A 27 27 CYS H H 366 8.592 8.088 0.504 1
1 306 . 15 1 1 A 27 27 CYS HA H 366 3.741 3.948 -0.207 1
1 309 . 15 1 1 A 27 27 CYS CA C 366 62.396 62.498 -0.102 1
1 310 . 15 1 1 A 27 27 CYS CB C 366 29.678 26.802 2.876 1
1 311 . 15 1 1 A 27 27 CYS N N 366 123.976 119.320 4.656 1
1 312 . 15 1 1 A 28 28 GLN H H 367 8.349 8.394 -0.045 1
1 313 . 15 1 1 A 28 28 GLN HA H 367 4.283 3.953 0.330 1
1 320 . 15 1 1 A 28 28 GLN CA C 367 57.327 59.186 -1.859 1
1 321 . 15 1 1 A 28 28 GLN CB C 367 29.217 28.377 0.840 1
1 323 . 15 1 1 A 28 28 GLN N N 367 119.444 120.031 -0.587 1
1 325 . 15 1 1 A 29 29 ARG H H 368 7.635 7.647 -0.012 1
1 326 . 15 1 1 A 29 29 ARG HA H 368 4.169 4.108 0.061 1
1 333 . 15 1 1 A 29 29 ARG CA C 368 57.558 59.280 -1.722 1
1 334 . 15 1 1 A 29 29 ARG CB C 368 29.908 29.814 0.094 1
1 337 . 15 1 1 A 29 29 ARG N N 368 119.444 119.035 0.409 1
1 338 . 15 1 1 A 30 30 ARG H H 369 8.018 7.750 0.268 1
1 339 . 15 1 1 A 30 30 ARG HA H 369 4.260 4.056 0.204 1
1 346 . 15 1 1 A 30 30 ARG CA C 369 57.558 59.718 -2.160 1
1 347 . 15 1 1 A 30 30 ARG CB C 369 30.599 30.157 0.442 1
1 350 . 15 1 1 A 30 30 ARG N N 369 120.388 119.125 1.263 1
1 351 . 15 1 1 A 31 31 GLU H H 370 8.208 8.114 0.094 1
1 352 . 15 1 1 A 31 31 GLU HA H 370 4.236 4.139 0.097 1
1 357 . 15 1 1 A 31 31 GLU CA C 370 57.788 59.001 -1.213 1
1 358 . 15 1 1 A 31 31 GLU CB C 370 30.369 29.482 0.887 1
1 360 . 15 1 1 A 31 31 GLU N N 370 120.388 119.521 0.867 1
1 361 . 15 1 1 A 32 32 GLN H H 371 8.165 8.157 0.008 1
1 362 . 15 1 1 A 32 32 GLN HA H 371 4.313 4.035 0.278 1
1 367 . 15 1 1 A 32 32 GLN CA C 371 56.636 58.592 -1.956 1
1 368 . 15 1 1 A 32 32 GLN CB C 371 29.217 28.120 1.097 1
1 370 . 15 1 1 A 32 32 GLN N N 371 118.878 119.776 -0.898 1
1 371 . 15 1 1 A 33 33 ALA H H 372 8.095 7.735 0.360 1
1 372 . 15 1 1 A 33 33 ALA HA H 372 4.327 4.183 0.144 1
1 376 . 15 1 1 A 33 33 ALA CA C 372 53.180 53.666 -0.486 1
1 377 . 15 1 1 A 33 33 ALA CB C 372 19.079 18.495 0.584 1
1 378 . 15 1 1 A 33 33 ALA N N 372 123.032 120.526 2.506 1
1 379 . 15 1 1 A 34 34 ASN H H 373 8.186 7.620 0.566 1
1 380 . 15 1 1 A 34 34 ASN HA H 373 4.735 4.898 -0.163 1
1 383 . 15 1 1 A 34 34 ASN CA C 373 53.410 53.104 0.306 1
1 384 . 15 1 1 A 34 34 ASN CB C 373 38.894 40.956 -2.062 1
1 385 . 15 1 1 A 34 34 ASN N N 373 115.479 113.885 1.594 1
1 386 . 15 1 1 A 35 35 GLY H H 374 8.266 8.668 -0.402 1
1 387 . 15 1 1 A 35 35 GLY HA2 H 374 3.943 3.876 0.067 1
1 388 . 15 1 1 A 35 35 GLY HA3 H 374 4.044 3.876 0.168 1
1 389 . 15 1 1 A 35 35 GLY CA C 374 45.576 45.711 -0.135 1
1 390 . 15 1 1 A 35 35 GLY N N 374 108.492 109.214 -0.722 1
1 391 . 15 1 1 A 36 36 GLU H H 375 8.132 7.811 0.321 1
1 392 . 15 1 1 A 36 36 GLU HA H 375 4.368 4.605 -0.237 1
1 397 . 15 1 1 A 36 36 GLU CA C 375 55.945 55.632 0.313 1
1 398 . 15 1 1 A 36 36 GLU CB C 375 30.369 30.598 -0.229 1
1 400 . 15 1 1 A 36 36 GLU N N 375 119.822 115.503 4.319 1
1 401 . 15 1 1 A 37 37 VAL H H 376 8.132 7.191 0.941 1
1 402 . 15 1 1 A 37 37 VAL HA H 376 4.139 3.932 0.207 1
1 410 . 15 1 1 A 37 37 VAL CA C 376 62.166 63.412 -1.246 1
1 411 . 15 1 1 A 37 37 VAL CB C 376 32.673 32.120 0.553 1
1 414 . 15 1 1 A 37 37 VAL N N 376 121.144 121.394 -0.250 1
1 415 . 15 1 1 A 38 38 ARG H H 377 8.455 8.650 -0.195 1
1 416 . 15 1 1 A 38 38 ARG HA H 377 4.392 4.693 -0.301 1
1 423 . 15 1 1 A 38 38 ARG CA C 377 55.253 55.336 -0.083 1
1 424 . 15 1 1 A 38 38 ARG CB C 377 31.060 30.327 0.733 1
1 427 . 15 1 1 A 38 38 ARG N N 377 125.109 121.361 3.748 1
1 428 . 15 1 1 A 39 39 ALA H H 378 8.384 8.058 0.326 1
1 429 . 15 1 1 A 39 39 ALA HA H 378 4.287 4.570 -0.283 1
1 433 . 15 1 1 A 39 39 ALA CA C 378 52.028 51.130 0.898 1
1 434 . 15 1 1 A 39 39 ALA CB C 378 19.540 19.595 -0.055 1
1 435 . 15 1 1 A 39 39 ALA N N 378 126.053 122.095 3.958 1
1 436 . 15 1 1 A 40 40 CYS H H 379 8.480 7.678 0.802 1
1 437 . 15 1 1 A 40 40 CYS HA H 379 4.344 4.878 -0.534 1
1 440 . 15 1 1 A 40 40 CYS CA C 379 60.092 57.955 2.137 1
1 441 . 15 1 1 A 40 40 CYS CB C 379 30.138 31.847 -1.709 1
1 442 . 15 1 1 A 40 40 CYS N N 379 123.787 117.857 5.930 1
1 443 . 15 1 1 A 41 41 SER HA H 380 4.588 4.768 -0.180 1
1 446 . 15 1 1 A 41 41 SER CA C 380 57.788 57.829 -0.041 1
1 447 . 15 1 1 A 41 41 SER CB C 380 63.779 64.889 -1.110 1
1 448 . 15 1 1 A 42 42 LEU H H 381 8.642 7.389 1.253 1
1 449 . 15 1 1 A 42 42 LEU HA H 381 4.488 4.260 0.228 1
1 459 . 15 1 1 A 42 42 LEU CA C 381 53.871 53.508 0.363 1
1 460 . 15 1 1 A 42 42 LEU CB C 381 41.659 42.453 -0.794 1
1 464 . 15 1 1 A 42 42 LEU N N 381 129.074 124.289 4.785 1
1 465 . 15 1 1 A 43 43 PRO HA H 382 4.095 4.132 -0.037 1
1 472 . 15 1 1 A 43 43 PRO CA C 382 64.470 64.617 -0.147 1
1 473 . 15 1 1 A 43 43 PRO CB C 382 31.751 31.526 0.225 1
1 476 . 15 1 1 A 44 44 HIS H H 383 8.014 8.028 -0.014 1
1 477 . 15 1 1 A 44 44 HIS HA H 383 4.527 4.953 -0.426 1
1 482 . 15 1 1 A 44 44 HIS CA C 383 58.249 55.105 3.144 1
1 483 . 15 1 1 A 44 44 HIS CB C 383 30.369 30.138 0.231 1
1 486 . 15 1 1 A 44 44 HIS N N 383 110.569 113.413 -2.844 1
1 487 . 15 1 1 A 45 45 CYS H H 384 7.729 7.706 0.023 1
1 488 . 15 1 1 A 45 45 CYS HA H 384 4.023 3.903 0.120 1
1 491 . 15 1 1 A 45 45 CYS CA C 384 64.470 62.614 1.856 1
1 492 . 15 1 1 A 45 45 CYS CB C 384 28.756 26.635 2.121 1
1 493 . 15 1 1 A 45 45 CYS N N 384 124.165 120.783 3.382 1
1 494 . 15 1 1 A 46 46 ARG H H 385 8.239 8.095 0.144 1
1 495 . 15 1 1 A 46 46 ARG HA H 385 3.978 4.122 -0.144 1
1 502 . 15 1 1 A 46 46 ARG CA C 385 59.401 58.785 0.616 1
1 503 . 15 1 1 A 46 46 ARG CB C 385 28.986 30.308 -1.322 1
1 506 . 15 1 1 A 46 46 ARG N N 385 116.612 119.528 -2.916 1
1 507 . 15 1 1 A 47 47 THR H H 386 7.496 8.092 -0.596 1
1 508 . 15 1 1 A 47 47 THR HA H 386 4.008 3.910 0.098 1
1 513 . 15 1 1 A 47 47 THR CA C 386 65.853 67.082 -1.229 1
1 514 . 15 1 1 A 47 47 THR CB C 386 68.387 68.483 -0.096 1
1 516 . 15 1 1 A 47 47 THR N N 386 114.346 116.416 -2.070 1
1 517 . 15 1 1 A 48 48 MET H H 387 8.216 8.076 0.140 1
1 518 . 15 1 1 A 48 48 MET HA H 387 4.622 4.031 0.591 1
1 526 . 15 1 1 A 48 48 MET CA C 387 56.636 59.163 -2.527 1
1 527 . 15 1 1 A 48 48 MET CB C 387 31.291 32.886 -1.595 1
1 530 . 15 1 1 A 48 48 MET N N 387 119.444 118.313 1.131 1
1 531 . 15 1 1 A 49 49 LYS H H 388 9.306 8.308 0.998 1
1 532 . 15 1 1 A 49 49 LYS HA H 388 3.923 3.950 -0.027 1
1 541 . 15 1 1 A 49 49 LYS CA C 388 61.244 60.314 0.930 1
1 542 . 15 1 1 A 49 49 LYS CB C 388 32.903 32.345 0.558 1
1 546 . 15 1 1 A 49 49 LYS N N 388 122.276 117.699 4.577 1
1 547 . 15 1 1 A 50 50 ASN H H 389 8.069 8.067 0.002 1
1 548 . 15 1 1 A 50 50 ASN HA H 389 4.629 4.590 0.039 1
1 553 . 15 1 1 A 50 50 ASN CA C 389 56.175 56.193 -0.018 1
1 554 . 15 1 1 A 50 50 ASN CB C 389 37.512 38.680 -1.168 1
1 555 . 15 1 1 A 50 50 ASN N N 389 117.178 118.141 -0.963 1
1 557 . 15 1 1 A 51 51 VAL H H 390 8.116 8.032 0.084 1
1 558 . 15 1 1 A 51 51 VAL HA H 390 3.803 3.669 0.134 1
1 566 . 15 1 1 A 51 51 VAL CA C 390 67.235 66.846 0.389 1
1 567 . 15 1 1 A 51 51 VAL CB C 390 31.751 31.462 0.289 1
1 570 . 15 1 1 A 51 51 VAL N N 390 123.598 120.000 3.598 1
1 571 . 15 1 1 A 52 52 LEU H H 391 8.735 8.572 0.163 1
1 572 . 15 1 1 A 52 52 LEU HA H 391 4.123 3.984 0.139 1
1 582 . 15 1 1 A 52 52 LEU CA C 391 58.479 58.232 0.247 1
1 583 . 15 1 1 A 52 52 LEU CB C 391 41.659 41.348 0.311 1
1 587 . 15 1 1 A 52 52 LEU N N 391 120.955 119.361 1.594 1
1 588 . 15 1 1 A 53 53 ASN H H 392 8.231 8.443 -0.212 1
1 589 . 15 1 1 A 53 53 ASN HA H 392 4.561 4.386 0.175 1
1 594 . 15 1 1 A 53 53 ASN CA C 392 56.175 56.458 -0.283 1
1 595 . 15 1 1 A 53 53 ASN CB C 392 38.433 38.867 -0.434 1
1 596 . 15 1 1 A 53 53 ASN N N 392 116.801 117.469 -0.668 1
1 598 . 15 1 1 A 54 54 HIS H H 393 8.049 8.283 -0.234 1
1 599 . 15 1 1 A 54 54 HIS HA H 393 4.418 4.292 0.126 1
1 604 . 15 1 1 A 54 54 HIS CA C 393 59.401 60.124 -0.723 1
1 605 . 15 1 1 A 54 54 HIS CB C 393 27.604 30.029 -2.425 1
1 608 . 15 1 1 A 54 54 HIS N N 393 120.011 119.733 0.278 1
1 609 . 15 1 1 A 55 55 MET H H 394 9.118 8.562 0.556 1
1 610 . 15 1 1 A 55 55 MET HA H 394 3.704 3.823 -0.119 1
1 618 . 15 1 1 A 55 55 MET CA C 394 59.401 58.520 0.881 1
1 619 . 15 1 1 A 55 55 MET CB C 394 34.286 32.545 1.741 1
1 622 . 15 1 1 A 55 55 MET N N 394 119.066 116.761 2.305 1
1 623 . 15 1 1 A 56 56 THR H H 395 7.521 7.738 -0.217 1
1 624 . 15 1 1 A 56 56 THR HA H 395 3.915 4.028 -0.113 1
1 629 . 15 1 1 A 56 56 THR CA C 395 65.392 65.725 -0.333 1
1 630 . 15 1 1 A 56 56 THR CB C 395 69.309 68.417 0.892 1
1 632 . 15 1 1 A 56 56 THR N N 395 110.758 114.927 -4.169 1
1 633 . 15 1 1 A 57 57 HIS H H 396 7.023 7.876 -0.853 1
1 634 . 15 1 1 A 57 57 HIS HA H 396 4.846 4.845 0.001 1
1 639 . 15 1 1 A 57 57 HIS CA C 396 55.023 55.466 -0.443 1
1 640 . 15 1 1 A 57 57 HIS CB C 396 30.830 31.068 -0.238 1
1 643 . 15 1 1 A 57 57 HIS N N 396 115.668 114.691 0.977 1
1 644 . 15 1 1 A 58 58 CYS H H 397 7.134 7.167 -0.033 1
1 645 . 15 1 1 A 58 58 CYS HA H 397 4.048 4.182 -0.134 1
1 648 . 15 1 1 A 58 58 CYS CA C 397 60.784 60.006 0.778 1
1 649 . 15 1 1 A 58 58 CYS CB C 397 29.678 27.802 1.876 1
1 650 . 15 1 1 A 58 58 CYS N N 397 123.598 119.919 3.679 1
1 651 . 15 1 1 A 59 59 GLN HA H 398 4.710 4.643 0.067 1
1 656 . 15 1 1 A 59 59 GLN CA C 398 55.023 55.993 -0.970 1
1 657 . 15 1 1 A 59 59 GLN CB C 398 29.678 30.605 -0.927 1
1 659 . 15 1 1 A 60 60 ALA H H 399 8.689 7.354 1.335 1
1 660 . 15 1 1 A 60 60 ALA HA H 399 4.414 4.427 -0.013 1
1 664 . 15 1 1 A 60 60 ALA CA C 399 52.949 52.223 0.726 1
1 665 . 15 1 1 A 60 60 ALA CB C 399 20.001 20.207 -0.206 1
1 666 . 15 1 1 A 60 60 ALA N N 399 124.731 121.039 3.692 1
1 667 . 15 1 1 A 61 61 GLY H H 400 8.166 8.305 -0.139 1
1 668 . 15 1 1 A 61 61 GLY HA2 H 400 3.621 3.820 -0.199 1
1 669 . 15 1 1 A 61 61 GLY HA3 H 400 3.976 3.834 0.142 1
1 670 . 15 1 1 A 61 61 GLY CA C 400 46.267 47.153 -0.886 1
1 671 . 15 1 1 A 61 61 GLY N N 400 107.926 107.530 0.396 1
1 672 . 15 1 1 A 62 62 LYS HA H 401 4.138 4.238 -0.100 1
1 673 . 15 1 1 A 62 62 LYS CA C 401 58.479 58.550 -0.071 1
1 674 . 15 1 1 A 63 63 ALA H H 402 7.671 7.911 -0.240 1
1 675 . 15 1 1 A 63 63 ALA HA H 402 4.448 4.523 -0.075 1
1 679 . 15 1 1 A 63 63 ALA CA C 402 51.336 51.386 -0.050 1
1 680 . 15 1 1 A 63 63 ALA CB C 402 19.079 20.513 -1.434 1
1 681 . 15 1 1 A 63 63 ALA N N 402 119.444 120.691 -1.247 1
1 682 . 15 1 1 A 64 64 CYS H H 403 7.497 7.600 -0.103 1
1 683 . 15 1 1 A 64 64 CYS HA H 403 3.857 4.342 -0.485 1
1 686 . 15 1 1 A 64 64 CYS CA C 403 62.396 59.708 2.688 1
1 687 . 15 1 1 A 64 64 CYS CB C 403 29.908 28.541 1.367 1
1 688 . 15 1 1 A 64 64 CYS N N 403 121.899 118.517 3.382 1
1 689 . 15 1 1 A 65 65 GLN H H 404 9.025 8.859 0.166 1
1 690 . 15 1 1 A 65 65 GLN HA H 404 4.463 4.302 0.161 1
1 697 . 15 1 1 A 65 65 GLN CA C 404 55.673 57.649 -1.976 1
1 698 . 15 1 1 A 65 65 GLN CB C 404 29.332 28.961 0.371 1
1 700 . 15 1 1 A 65 65 GLN N N 404 128.885 123.907 4.978 1
1 702 . 15 1 1 A 66 66 VAL H H 405 9.337 7.263 2.074 1
1 703 . 15 1 1 A 66 66 VAL HA H 405 3.631 4.148 -0.517 1
1 711 . 15 1 1 A 66 66 VAL CA C 405 64.240 62.560 1.680 1
1 712 . 15 1 1 A 66 66 VAL CB C 405 30.830 30.822 0.008 1
1 715 . 15 1 1 A 66 66 VAL N N 405 127.752 120.287 7.465 1
1 716 . 15 1 1 A 67 67 ALA H H 406 8.581 8.647 -0.066 1
1 717 . 15 1 1 A 67 67 ALA HA H 406 3.761 3.849 -0.088 1
1 721 . 15 1 1 A 67 67 ALA CA C 406 54.101 55.063 -0.962 1
1 722 . 15 1 1 A 67 67 ALA CB C 406 17.467 18.276 -0.809 1
1 723 . 15 1 1 A 67 67 ALA N N 406 133.983 130.394 3.589 1
1 724 . 15 1 1 A 68 68 HIS H H 407 8.099 7.660 0.439 1
1 725 . 15 1 1 A 68 68 HIS HA H 407 4.407 4.398 0.009 1
1 730 . 15 1 1 A 68 68 HIS CA C 407 57.327 58.355 -1.028 1
1 731 . 15 1 1 A 68 68 HIS CB C 407 29.447 30.201 -0.754 1
1 734 . 15 1 1 A 68 68 HIS N N 407 110.569 115.136 -4.567 1
1 735 . 15 1 1 A 69 69 CYS H H 408 8.086 7.853 0.233 1
1 736 . 15 1 1 A 69 69 CYS HA H 408 4.163 4.069 0.094 1
1 739 . 15 1 1 A 69 69 CYS CA C 408 64.240 62.644 1.596 1
1 740 . 15 1 1 A 69 69 CYS CB C 408 29.908 27.113 2.795 1
1 741 . 15 1 1 A 69 69 CYS N N 408 126.619 118.771 7.848 1
1 742 . 15 1 1 A 70 70 ALA H H 409 8.728 8.044 0.684 1
1 743 . 15 1 1 A 70 70 ALA HA H 409 4.333 4.035 0.298 1
1 747 . 15 1 1 A 70 70 ALA CA C 409 55.253 55.501 -0.248 1
1 748 . 15 1 1 A 70 70 ALA CB C 409 17.697 18.126 -0.429 1
1 749 . 15 1 1 A 70 70 ALA N N 409 118.689 123.074 -4.385 1
1 750 . 15 1 1 A 71 71 SER H H 410 9.179 8.112 1.067 1
1 751 . 15 1 1 A 71 71 SER HA H 410 4.138 4.112 0.026 1
1 754 . 15 1 1 A 71 71 SER CA C 410 60.323 61.897 -1.574 1
1 755 . 15 1 1 A 71 71 SER CB C 410 61.244 62.886 -1.642 1
1 756 . 15 1 1 A 71 71 SER N N 410 114.535 113.892 0.643 1
1 757 . 15 1 1 A 72 72 SER H H 411 7.937 8.297 -0.360 1
1 758 . 15 1 1 A 72 72 SER HA H 411 4.048 4.222 -0.174 1
1 762 . 15 1 1 A 72 72 SER CA C 411 64.240 61.554 2.686 1
1 763 . 15 1 1 A 72 72 SER CB C 411 62.396 62.893 -0.497 1
1 764 . 15 1 1 A 72 72 SER N N 411 120.766 117.168 3.598 1
1 765 . 15 1 1 A 73 73 ARG H H 412 8.835 8.274 0.561 1
1 766 . 15 1 1 A 73 73 ARG HA H 412 3.855 4.083 -0.228 1
1 773 . 15 1 1 A 73 73 ARG CA C 412 60.323 59.574 0.749 1
1 774 . 15 1 1 A 73 73 ARG CB C 412 30.369 30.038 0.331 1
1 777 . 15 1 1 A 73 73 ARG N N 412 122.276 121.659 0.617 1
1 778 . 15 1 1 A 74 74 GLN H H 413 7.873 7.398 0.475 1
1 779 . 15 1 1 A 74 74 GLN HA H 413 4.182 4.161 0.021 1
1 786 . 15 1 1 A 74 74 GLN CA C 413 58.710 58.568 0.142 1
1 787 . 15 1 1 A 74 74 GLN CB C 413 29.447 28.549 0.898 1
1 789 . 15 1 1 A 74 74 GLN N N 413 118.689 118.703 -0.014 1
1 791 . 15 1 1 A 75 75 ILE H H 414 8.754 8.334 0.420 1
1 792 . 15 1 1 A 75 75 ILE HA H 414 3.617 3.980 -0.363 1
1 802 . 15 1 1 A 75 75 ILE CA C 414 66.544 64.502 2.042 1
1 803 . 15 1 1 A 75 75 ILE CB C 414 38.664 37.565 1.099 1
1 807 . 15 1 1 A 75 75 ILE N N 414 121.710 120.043 1.667 1
1 808 . 15 1 1 A 76 76 ILE H H 415 8.856 8.314 0.542 1
1 809 . 15 1 1 A 76 76 ILE HA H 415 3.863 3.638 0.225 1
1 819 . 15 1 1 A 76 76 ILE CA C 415 64.701 65.397 -0.696 1
1 820 . 15 1 1 A 76 76 ILE CB C 415 37.051 37.769 -0.718 1
1 824 . 15 1 1 A 76 76 ILE N N 415 120.199 122.942 -2.743 1
1 825 . 15 1 1 A 77 77 SER H H 416 7.981 8.014 -0.033 1
1 826 . 15 1 1 A 77 77 SER HA H 416 4.153 4.156 -0.003 1
1 829 . 15 1 1 A 77 77 SER CA C 416 62.166 62.349 -0.183 1
1 830 . 15 1 1 A 77 77 SER CB C 416 62.627 63.141 -0.514 1
1 831 . 15 1 1 A 77 77 SER N N 416 114.346 116.210 -1.864 1
1 832 . 15 1 1 A 78 78 HIS H H 417 8.126 7.465 0.661 1
1 833 . 15 1 1 A 78 78 HIS HA H 417 4.154 4.411 -0.257 1
1 838 . 15 1 1 A 78 78 HIS CA C 417 60.553 59.500 1.053 1
1 839 . 15 1 1 A 78 78 HIS CB C 417 28.065 30.148 -2.083 1
1 842 . 15 1 1 A 78 78 HIS N N 417 118.878 121.351 -2.473 1
1 843 . 15 1 1 A 79 79 TRP H H 418 8.417 7.867 0.550 1
1 844 . 15 1 1 A 79 79 TRP HA H 418 4.451 4.215 0.236 1
1 853 . 15 1 1 A 79 79 TRP CA C 418 59.862 60.349 -0.487 1
1 854 . 15 1 1 A 79 79 TRP CB C 418 30.369 29.823 0.546 1
1 860 . 15 1 1 A 79 79 TRP N N 418 119.255 121.361 -2.106 1
1 862 . 15 1 1 A 80 80 LYS H H 419 8.412 8.306 0.106 1
1 863 . 15 1 1 A 80 80 LYS HA H 419 3.714 3.970 -0.256 1
1 872 . 15 1 1 A 80 80 LYS CA C 419 58.710 58.573 0.137 1
1 873 . 15 1 1 A 80 80 LYS CB C 419 32.673 32.207 0.466 1
1 877 . 15 1 1 A 80 80 LYS N N 419 115.101 118.230 -3.129 1
1 878 . 15 1 1 A 81 81 ASN H H 420 7.416 7.776 -0.360 1
1 879 . 15 1 1 A 81 81 ASN HA H 420 4.713 4.734 -0.021 1
1 884 . 15 1 1 A 81 81 ASN CA C 420 53.410 53.876 -0.466 1
1 885 . 15 1 1 A 81 81 ASN CB C 420 40.737 41.253 -0.516 1
1 886 . 15 1 1 A 81 81 ASN N N 420 113.968 114.404 -0.436 1
1 888 . 15 1 1 A 82 82 CYS H H 421 7.617 7.612 0.005 1
1 889 . 15 1 1 A 82 82 CYS HA H 421 3.986 4.245 -0.259 1
1 892 . 15 1 1 A 82 82 CYS CA C 421 61.244 59.747 1.497 1
1 893 . 15 1 1 A 82 82 CYS CB C 421 28.756 27.989 0.767 1
1 894 . 15 1 1 A 82 82 CYS N N 421 124.354 118.373 5.981 1
1 895 . 15 1 1 A 83 83 THR H H 422 8.535 8.611 -0.076 1
1 896 . 15 1 1 A 83 83 THR HA H 422 4.527 4.605 -0.078 1
1 901 . 15 1 1 A 83 83 THR CA C 422 60.553 60.592 -0.039 1
1 902 . 15 1 1 A 83 83 THR CB C 422 69.309 70.057 -0.748 1
1 904 . 15 1 1 A 83 83 THR N N 422 118.500 116.429 2.071 1
1 905 . 15 1 1 A 84 84 ARG HA H 423 4.448 4.363 0.085 1
1 912 . 15 1 1 A 84 84 ARG CA C 423 56.175 56.139 0.036 1
1 913 . 15 1 1 A 84 84 ARG CB C 423 31.521 31.164 0.357 1
1 916 . 15 1 1 A 85 85 HIS HA H 424 4.391 4.882 -0.491 1
1 921 . 15 1 1 A 85 85 HIS CA C 424 58.479 55.703 2.776 1
1 922 . 15 1 1 A 85 85 HIS CB C 424 30.138 30.979 -0.841 1
1 925 . 15 1 1 A 86 86 ASP H H 425 7.962 7.897 0.065 1
1 926 . 15 1 1 A 86 86 ASP HA H 425 4.525 4.725 -0.200 1
1 929 . 15 1 1 A 86 86 ASP CA C 425 51.567 53.375 -1.808 1
1 930 . 15 1 1 A 86 86 ASP CB C 425 39.585 42.140 -2.555 1
1 931 . 15 1 1 A 86 86 ASP N N 425 116.612 116.129 0.483 1
1 932 . 15 1 1 A 87 87 CYS H H 426 6.974 7.314 -0.340 1
1 933 . 15 1 1 A 87 87 CYS HA H 426 4.247 4.412 -0.165 1
1 936 . 15 1 1 A 87 87 CYS CA C 426 57.558 57.818 -0.260 1
1 937 . 15 1 1 A 87 87 CYS CB C 426 31.291 28.677 2.614 1
1 938 . 15 1 1 A 87 87 CYS N N 426 122.276 120.829 1.447 1
1 939 . 15 1 1 A 88 88 PRO HA H 427 4.445 4.367 0.078 1
1 944 . 15 1 1 A 88 88 PRO CA C 427 64.009 65.647 -1.638 1
1 945 . 15 1 1 A 88 88 PRO CB C 427 32.558 31.755 0.803 1
1 947 . 15 1 1 A 89 89 VAL H H 428 8.460 7.258 1.202 1
1 948 . 15 1 1 A 89 89 VAL HA H 428 3.719 3.784 -0.065 1
1 956 . 15 1 1 A 89 89 VAL CA C 428 65.622 65.278 0.344 1
1 957 . 15 1 1 A 89 89 VAL CB C 428 33.134 32.020 1.114 1
1 960 . 15 1 1 A 89 89 VAL N N 428 119.822 115.736 4.086 1
1 961 . 15 1 1 A 90 90 CYS H H 429 8.729 7.897 0.832 1
1 962 . 15 1 1 A 90 90 CYS HA H 429 4.225 4.270 -0.045 1
1 965 . 15 1 1 A 90 90 CYS CA C 429 63.779 62.714 1.065 1
1 966 . 15 1 1 A 90 90 CYS CB C 429 31.291 26.703 4.588 1
1 967 . 15 1 1 A 90 90 CYS N N 429 118.878 117.744 1.134 1
1 968 . 15 1 1 A 91 91 LEU H H 430 7.907 8.223 -0.316 1
1 969 . 15 1 1 A 91 91 LEU HA H 430 4.214 4.104 0.110 1
1 979 . 15 1 1 A 91 91 LEU CA C 430 60.323 60.177 0.146 1
1 980 . 15 1 1 A 91 91 LEU CB C 430 39.125 40.301 -1.176 1
1 984 . 15 1 1 A 91 91 LEU N N 430 118.878 123.206 -4.328 1
1 985 . 15 1 1 A 92 92 PRO HA H 431 4.460 4.348 0.112 1
1 992 . 15 1 1 A 92 92 PRO CA C 431 65.161 65.911 -0.750 1
1 993 . 15 1 1 A 92 92 PRO CB C 431 31.291 30.727 0.564 1
1 996 . 15 1 1 A 93 93 LEU H H 432 7.459 7.491 -0.032 1
1 997 . 15 1 1 A 93 93 LEU HA H 432 4.359 3.877 0.482 1
1 1007 . 15 1 1 A 93 93 LEU CA C 432 55.945 57.459 -1.514 1
1 1008 . 15 1 1 A 93 93 LEU CB C 432 42.350 41.061 1.289 1
1 1012 . 15 1 1 A 93 93 LEU N N 432 115.290 116.605 -1.315 1
1 1013 . 15 1 1 A 94 94 LYS H H 433 7.975 8.656 -0.681 1
1 1014 . 15 1 1 A 94 94 LYS HA H 433 4.390 4.096 0.294 1
1 1022 . 15 1 1 A 94 94 LYS CA C 433 57.558 60.150 -2.592 1
1 1023 . 15 1 1 A 94 94 LYS CB C 433 33.134 32.245 0.889 1
1 1027 . 15 1 1 A 94 94 LYS N N 433 119.255 117.747 1.508 1
1 1028 . 15 1 1 A 95 95 ASN H H 434 8.368 8.232 0.136 1
1 1029 . 15 1 1 A 95 95 ASN HA H 434 4.733 4.508 0.225 1
1 1034 . 15 1 1 A 95 95 ASN CA C 434 53.410 56.348 -2.938 1
1 1035 . 15 1 1 A 95 95 ASN CB C 434 38.894 38.681 0.213 1
1 1036 . 15 1 1 A 95 95 ASN N N 434 117.934 118.267 -0.333 1
1 1038 . 15 1 1 A 96 96 ALA H H 435 8.040 8.436 -0.396 1
1 1039 . 15 1 1 A 96 96 ALA HA H 435 4.376 4.150 0.226 1
1 1043 . 15 1 1 A 96 96 ALA CA C 435 52.949 54.308 -1.359 1
1 1044 . 15 1 1 A 96 96 ALA CB C 435 19.310 18.477 0.833 1
1 1045 . 15 1 1 A 96 96 ALA N N 435 123.221 121.378 1.843 1
1 1046 . 15 1 1 A 97 97 SER H H 436 8.138 7.544 0.594 1
1 1047 . 15 1 1 A 97 97 SER HA H 436 4.450 4.609 -0.159 1
1 1050 . 15 1 1 A 97 97 SER CA C 436 58.710 57.146 1.564 1
1 1051 . 15 1 1 A 97 97 SER CB C 436 63.779 64.202 -0.423 1
1 1052 . 15 1 1 A 97 97 SER N N 436 113.591 107.345 6.246 1
1 1053 . 15 1 1 A 98 98 ASP H H 437 8.214 7.577 0.637 1
1 1054 . 15 1 1 A 98 98 ASP HA H 437 4.662 4.590 0.072 1
1 1057 . 15 1 1 A 98 98 ASP CA C 437 54.332 54.556 -0.224 1
1 1058 . 15 1 1 A 98 98 ASP CB C 437 41.198 41.667 -0.469 1
1 1059 . 15 1 1 A 98 98 ASP N N 437 121.521 123.140 -1.619 1
1 1060 . 15 1 1 A 99 99 LYS H H 438 8.062 8.432 -0.370 1
1 1061 . 15 1 1 A 99 99 LYS HA H 438 4.363 4.700 -0.337 1
1 1070 . 15 1 1 A 99 99 LYS CA C 438 55.945 55.381 0.564 1
1 1071 . 15 1 1 A 99 99 LYS CB C 438 32.720 33.028 -0.308 1
1 1075 . 15 1 1 A 99 99 LYS N N 438 121.144 123.240 -2.096 1
1 1092 . 15 2 2 B 2 2 SER HA H 783 4.524 4.653 -0.129 1
1 1095 . 15 2 2 B 2 2 SER CA C 783 58.053 57.834 0.219 1
1 1096 . 15 2 2 B 2 2 SER CB C 783 64.502 64.406 0.096 1
1 1097 . 15 2 2 B 3 3 HIS HA H 784 4.721 4.484 0.237 1
1 1102 . 15 2 2 B 3 3 HIS CA C 784 55.750 57.821 -2.071 1
1 1103 . 15 2 2 B 3 3 HIS CB C 784 30.167 30.033 0.134 1
1 1106 . 15 2 2 B 4 4 MET HA H 785 4.495 5.051 -0.556 1
1 1114 . 15 2 2 B 4 4 MET CA C 785 55.058 54.595 0.463 1
1 1115 . 15 2 2 B 4 4 MET CB C 785 32.727 38.819 -6.092 1
1 1118 . 15 2 2 B 5 5 VAL H H 786 8.163 8.748 -0.585 1
1 1119 . 15 2 2 B 5 5 VAL HA H 786 4.464 4.803 -0.339 1
1 1127 . 15 2 2 B 5 5 VAL CA C 786 59.478 57.892 1.586 1
1 1128 . 15 2 2 B 5 5 VAL CB C 786 32.606 34.518 -1.912 1
1 1131 . 15 2 2 B 5 5 VAL N N 786 122.854 115.196 7.658 1
1 1132 . 15 2 2 B 6 6 PRO HA H 787 4.437 4.557 -0.120 1
1 1137 . 15 2 2 B 6 6 PRO CA C 787 62.667 63.869 -1.202 1
1 1138 . 15 2 2 B 6 6 PRO CB C 787 32.010 32.465 -0.455 1
1 1140 . 15 2 2 B 7 7 GLU H H 788 8.306 7.883 0.423 1
1 1141 . 15 2 2 B 7 7 GLU HA H 788 4.654 4.727 -0.073 1
1 1146 . 15 2 2 B 7 7 GLU CA C 788 53.568 53.050 0.518 1
1 1147 . 15 2 2 B 7 7 GLU CB C 788 30.011 30.762 -0.751 1
1 1149 . 15 2 2 B 7 7 GLU N N 788 123.231 120.972 2.259 1
1 1150 . 15 2 2 B 8 8 PRO HA H 789 4.490 4.531 -0.041 1
1 1157 . 15 2 2 B 8 8 PRO CA C 789 62.253 62.684 -0.431 1
1 1158 . 15 2 2 B 8 8 PRO CB C 789 32.483 32.235 0.248 1
1 1161 . 15 2 2 B 9 9 ASP H H 790 8.272 8.438 -0.166 1
1 1162 . 15 2 2 B 9 9 ASP HA H 790 4.456 4.654 -0.198 1
1 1165 . 15 2 2 B 9 9 ASP CA C 790 54.137 53.972 0.165 1
1 1166 . 15 2 2 B 9 9 ASP CB C 790 41.016 40.484 0.532 1
1 1167 . 15 2 2 B 9 9 ASP N N 790 118.511 120.386 -1.875 1
1 1168 . 15 2 2 B 10 10 LEU H H 791 8.463 8.294 0.169 1
1 1169 . 15 2 2 B 10 10 LEU HA H 791 4.356 4.304 0.052 1
1 1179 . 15 2 2 B 10 10 LEU CA C 791 52.531 53.273 -0.742 1
1 1180 . 15 2 2 B 10 10 LEU CB C 791 42.609 43.078 -0.469 1
1 1184 . 15 2 2 B 10 10 LEU N N 791 121.343 127.076 -5.733 1
1 1185 . 15 2 2 B 11 11 PRO HA H 792 4.553 4.510 0.043 1
1 1192 . 15 2 2 B 11 11 PRO CA C 792 62.788 63.247 -0.459 1
1 1193 . 15 2 2 B 11 11 PRO CB C 792 32.716 32.382 0.334 1
1 1196 . 15 2 2 B 12 12 HIS HA H 793 3.989 4.171 -0.182 1
1 1201 . 15 2 2 B 12 12 HIS CA C 793 60.326 59.833 0.493 1
1 1202 . 15 2 2 B 12 12 HIS CB C 793 30.803 30.234 0.569 1
1 1205 . 15 2 2 B 13 13 ASP H H 794 8.938 8.885 0.053 1
1 1206 . 15 2 2 B 13 13 ASP HA H 794 4.460 4.416 0.044 1
1 1209 . 15 2 2 B 13 13 ASP CA C 794 54.581 56.684 -2.103 1
1 1210 . 15 2 2 B 13 13 ASP CB C 794 38.061 39.788 -1.727 1
1 1211 . 15 2 2 B 13 13 ASP N N 794 114.734 118.642 -3.908 1
1 1212 . 15 2 2 B 14 14 LEU H H 795 7.674 7.699 -0.025 1
1 1213 . 15 2 2 B 14 14 LEU HA H 795 4.546 4.241 0.305 1
1 1223 . 15 2 2 B 14 14 LEU CA C 795 53.478 56.495 -3.017 1
1 1224 . 15 2 2 B 14 14 LEU CB C 795 43.597 42.028 1.569 1
1 1228 . 15 2 2 B 14 14 LEU N N 795 116.056 120.176 -4.120 1
1 1229 . 15 2 2 B 15 15 ARG H H 796 7.225 8.589 -1.364 1
1 1230 . 15 2 2 B 15 15 ARG HA H 796 3.809 4.045 -0.236 1
1 1237 . 15 2 2 B 15 15 ARG CA C 796 58.744 58.381 0.363 1
1 1238 . 15 2 2 B 15 15 ARG CB C 796 30.413 29.792 0.621 1
1 1241 . 15 2 2 B 15 15 ARG N N 796 116.434 118.296 -1.862 1
1 1242 . 15 2 2 B 16 16 HIS HA H 797 4.703 4.461 0.242 1
1 1247 . 15 2 2 B 16 16 HIS CA C 797 55.289 57.690 -2.401 1
1 1248 . 15 2 2 B 16 16 HIS CB C 797 29.538 29.998 -0.460 1
1 1251 . 15 2 2 B 17 17 LEU H H 798 6.982 7.401 -0.419 1
1 1252 . 15 2 2 B 17 17 LEU HA H 798 4.071 4.075 -0.004 1
1 1262 . 15 2 2 B 17 17 LEU CA C 798 54.807 55.473 -0.666 1
1 1263 . 15 2 2 B 17 17 LEU CB C 798 42.206 42.096 0.110 1
1 1267 . 15 2 2 B 17 17 LEU N N 798 120.399 120.290 0.109 1
1 1268 . 15 2 2 B 18 18 ASN H H 799 8.789 8.627 0.162 1
1 1269 . 15 2 2 B 18 18 ASN HA H 799 4.857 4.828 0.029 1
1 1274 . 15 2 2 B 18 18 ASN CA C 799 52.166 52.680 -0.514 1
1 1275 . 15 2 2 B 18 18 ASN CB C 799 37.842 38.301 -0.459 1
1 1276 . 15 2 2 B 18 18 ASN N N 799 121.343 123.226 -1.883 1
1 1278 . 15 2 2 B 19 19 THR H H 800 8.585 8.551 0.034 1
1 1279 . 15 2 2 B 19 19 THR HA H 800 4.522 4.368 0.154 1
1 1284 . 15 2 2 B 19 19 THR CA C 800 62.143 63.396 -1.253 1
1 1285 . 15 2 2 B 19 19 THR CB C 800 68.865 69.021 -0.156 1
1 1287 . 15 2 2 B 19 19 THR N N 800 115.301 117.929 -2.628 1
1 1288 . 15 2 2 B 20 20 GLU H H 801 8.415 8.423 -0.008 1
1 1289 . 15 2 2 B 20 20 GLU HA H 801 4.337 4.150 0.187 1
1 1294 . 15 2 2 B 20 20 GLU CA C 801 61.496 62.851 -1.355 1
1 1295 . 15 2 2 B 20 20 GLU CB C 801 26.493 27.633 -1.140 1
1 1297 . 15 2 2 B 20 20 GLU N N 801 125.119 122.986 2.133 1
1 1298 . 15 2 2 B 21 21 PRO HA H 802 4.422 4.247 0.175 1
1 1305 . 15 2 2 B 21 21 PRO CA C 802 64.520 65.525 -1.005 1
1 1306 . 15 2 2 B 21 21 PRO CB C 802 31.355 30.454 0.901 1
1 1309 . 15 2 2 B 22 22 MET H H 803 7.303 7.567 -0.264 1
1 1310 . 15 2 2 B 22 22 MET HA H 803 4.062 3.902 0.160 1
1 1318 . 15 2 2 B 22 22 MET CA C 803 55.686 57.707 -2.021 1
1 1319 . 15 2 2 B 22 22 MET CB C 803 33.481 31.898 1.583 1
1 1322 . 15 2 2 B 22 22 MET N N 803 110.769 115.054 -4.285 1
1 1323 . 15 2 2 B 23 23 GLU H H 804 7.624 7.845 -0.221 1
1 1324 . 15 2 2 B 23 23 GLU HA H 804 3.918 3.931 -0.013 1
1 1329 . 15 2 2 B 23 23 GLU CA C 804 59.221 59.112 0.109 1
1 1330 . 15 2 2 B 23 23 GLU CB C 804 28.993 29.254 -0.261 1
1 1332 . 15 2 2 B 23 23 GLU N N 804 118.699 118.393 0.306 1
1 1333 . 15 2 2 B 24 24 ILE H H 805 6.626 6.783 -0.157 1
1 1334 . 15 2 2 B 24 24 ILE HA H 805 3.999 3.721 0.278 1
1 1344 . 15 2 2 B 24 24 ILE CA C 805 62.734 64.023 -1.289 1
1 1345 . 15 2 2 B 24 24 ILE CB C 805 37.574 37.103 0.471 1
1 1349 . 15 2 2 B 24 24 ILE N N 805 111.524 116.373 -4.849 1
1 1350 . 15 2 2 B 25 25 PHE H H 806 7.515 7.351 0.164 1
1 1351 . 15 2 2 B 25 25 PHE HA H 806 4.524 4.396 0.128 1
1 1358 . 15 2 2 B 25 25 PHE CA C 806 55.760 61.570 -5.810 1
1 1359 . 15 2 2 B 25 25 PHE CB C 806 38.464 38.496 -0.032 1
1 1362 . 15 2 2 B 25 25 PHE N N 806 118.322 121.041 -2.719 1
1 1363 . 15 2 2 B 26 26 ARG H H 807 7.368 7.850 -0.482 1
1 1364 . 15 2 2 B 26 26 ARG HA H 807 4.024 4.112 -0.088 1
1 1371 . 15 2 2 B 26 26 ARG CA C 807 58.864 59.023 -0.159 1
1 1372 . 15 2 2 B 26 26 ARG CB C 807 30.872 29.947 0.925 1
1 1375 . 15 2 2 B 26 26 ARG N N 807 118.888 121.625 -2.737 1
1 1376 . 15 2 2 B 27 27 ASN H H 808 8.877 8.197 0.680 1
1 1377 . 15 2 2 B 27 27 ASN HA H 808 4.732 4.986 -0.254 1
1 1382 . 15 2 2 B 27 27 ASN CA C 808 53.413 52.031 1.382 1
1 1383 . 15 2 2 B 27 27 ASN CB C 808 38.244 39.028 -0.784 1
1 1384 . 15 2 2 B 27 27 ASN N N 808 117.000 113.654 3.346 1
1 1386 . 15 2 2 B 28 28 SER H H 809 7.969 7.993 -0.024 1
1 1387 . 15 2 2 B 28 28 SER HA H 809 4.440 4.743 -0.303 1
1 1390 . 15 2 2 B 28 28 SER CA C 809 60.606 57.934 2.672 1
1 1391 . 15 2 2 B 28 28 SER CB C 809 64.021 64.471 -0.450 1
1 1392 . 15 2 2 B 28 28 SER N N 809 114.356 115.149 -0.793 1
1 1393 . 15 2 2 B 29 29 VAL HA H 810 4.304 4.772 -0.468 1
1 1401 . 15 2 2 B 29 29 VAL CA C 810 60.803 60.264 0.539 1
1 1402 . 15 2 2 B 29 29 VAL CB C 810 34.232 36.755 -2.523 1
1 1405 . 15 2 2 B 30 30 LYS H H 811 8.707 8.479 0.228 1
1 1406 . 15 2 2 B 30 30 LYS HA H 811 4.552 4.723 -0.171 1
1 1415 . 15 2 2 B 30 30 LYS CA C 811 55.058 54.903 0.155 1
1 1416 . 15 2 2 B 30 30 LYS CB C 811 31.782 32.730 -0.948 1
1 1420 . 15 2 2 B 30 30 LYS N N 811 127.196 124.097 3.099 1
1 1421 . 15 2 2 B 31 31 ILE H H 812 8.604 8.337 0.267 1
1 1422 . 15 2 2 B 31 31 ILE HA H 812 3.662 3.701 -0.039 1
1 1432 . 15 2 2 B 31 31 ILE CA C 812 64.066 64.943 -0.877 1
1 1433 . 15 2 2 B 31 31 ILE CB C 812 37.726 37.708 0.018 1
1 1437 . 15 2 2 B 31 31 ILE N N 812 125.497 124.747 0.750 1
1 1438 . 15 2 2 B 32 32 GLU H H 813 9.330 8.308 1.022 1
1 1439 . 15 2 2 B 32 32 GLU HA H 813 4.162 4.151 0.011 1
1 1444 . 15 2 2 B 32 32 GLU CA C 813 58.096 58.057 0.039 1
1 1445 . 15 2 2 B 32 32 GLU CB C 813 28.834 30.422 -1.588 1
1 1447 . 15 2 2 B 32 32 GLU N N 813 118.888 118.590 0.298 1
1 1448 . 15 2 2 B 33 33 GLU H H 814 7.742 7.777 -0.035 1
1 1449 . 15 2 2 B 33 33 GLU HA H 814 4.334 4.461 -0.127 1
1 1454 . 15 2 2 B 33 33 GLU CA C 814 56.441 57.045 -0.604 1
1 1455 . 15 2 2 B 33 33 GLU CB C 814 30.396 30.648 -0.252 1
1 1457 . 15 2 2 B 33 33 GLU N N 814 117.566 117.223 0.343 1
1 1458 . 15 2 2 B 34 34 ILE H H 815 7.598 7.625 -0.027 1
1 1459 . 15 2 2 B 34 34 ILE HA H 815 4.216 3.771 0.445 1
1 1469 . 15 2 2 B 34 34 ILE CA C 815 61.047 65.009 -3.962 1
1 1470 . 15 2 2 B 34 34 ILE CB C 815 38.712 38.320 0.392 1
1 1474 . 15 2 2 B 34 34 ILE N N 815 117.566 118.302 -0.736 1
1 1475 . 15 2 2 B 35 35 MET H H 816 8.177 7.664 0.513 1
1 1476 . 15 2 2 B 35 35 MET HA H 816 4.733 4.505 0.228 1
1 1484 . 15 2 2 B 35 35 MET CA C 816 53.461 54.088 -0.627 1
1 1485 . 15 2 2 B 35 35 MET CB C 816 32.025 33.639 -1.614 1
1 1488 . 15 2 2 B 35 35 MET N N 816 122.665 121.393 1.272 1
1 1489 . 15 2 2 B 36 36 PRO HA H 817 4.743 4.407 0.336 1
1 1496 . 15 2 2 B 36 36 PRO CA C 817 62.542 63.814 -1.272 1
1 1497 . 15 2 2 B 36 36 PRO CB C 817 34.328 32.190 2.138 1
1 1500 . 15 2 2 B 37 37 ASN H H 818 8.374 8.076 0.298 1
1 1501 . 15 2 2 B 37 37 ASN HA H 818 4.752 4.427 0.325 1
1 1504 . 15 2 2 B 37 37 ASN CA C 818 52.995 54.164 -1.169 1
1 1505 . 15 2 2 B 37 37 ASN CB C 818 38.705 37.193 1.512 1
1 1506 . 15 2 2 B 37 37 ASN N N 818 117.378 117.353 0.025 1
1 1507 . 15 2 2 B 38 38 GLY H H 819 8.314 8.200 0.114 1
1 1508 . 15 2 2 B 38 38 GLY HA2 H 819 3.937 3.821 0.116 1
1 1509 . 15 2 2 B 38 38 GLY HA3 H 819 3.994 3.822 0.172 1
1 1510 . 15 2 2 B 38 38 GLY CA C 819 45.006 46.610 -1.604 1
1 1511 . 15 2 2 B 38 38 GLY N N 819 108.881 106.942 1.939 1
1 1512 . 15 2 2 B 39 39 ASP H H 820 8.157 7.991 0.166 1
1 1513 . 15 2 2 B 39 39 ASP HA H 820 4.939 5.012 -0.073 1
1 1516 . 15 2 2 B 39 39 ASP CA C 820 51.896 51.102 0.794 1
1 1517 . 15 2 2 B 39 39 ASP CB C 820 41.672 44.118 -2.446 1
1 1518 . 15 2 2 B 39 39 ASP N N 820 121.154 116.802 4.352 1
1 1519 . 15 2 2 B 40 40 PRO HA H 821 4.483 4.405 0.078 1
1 1526 . 15 2 2 B 40 40 PRO CA C 821 63.351 64.514 -1.163 1
1 1527 . 15 2 2 B 40 40 PRO CB C 821 32.066 32.081 -0.015 1
1 1530 . 15 2 2 B 41 41 LEU H H 822 8.440 7.580 0.860 1
1 1531 . 15 2 2 B 41 41 LEU HA H 822 4.262 4.033 0.229 1
1 1541 . 15 2 2 B 41 41 LEU CA C 822 55.539 57.261 -1.722 1
1 1542 . 15 2 2 B 41 41 LEU CB C 822 41.496 40.757 0.739 1
1 1546 . 15 2 2 B 41 41 LEU N N 822 119.644 118.856 0.788 1
1 1547 . 15 2 2 B 42 42 LEU H H 823 7.863 7.968 -0.105 1
1 1548 . 15 2 2 B 42 42 LEU HA H 823 4.353 3.971 0.382 1
1 1558 . 15 2 2 B 42 42 LEU CA C 823 54.598 57.562 -2.964 1
1 1559 . 15 2 2 B 42 42 LEU CB C 823 42.025 41.618 0.407 1
1 1563 . 15 2 2 B 42 42 LEU N N 823 120.399 119.920 0.479 1
1 1564 . 15 2 2 B 43 43 ALA H H 824 8.022 8.221 -0.199 1
1 1565 . 15 2 2 B 43 43 ALA HA H 824 4.330 4.072 0.258 1
1 1569 . 15 2 2 B 43 43 ALA CA C 824 52.539 55.470 -2.931 1
1 1570 . 15 2 2 B 43 43 ALA CB C 824 19.126 18.095 1.031 1
1 1571 . 15 2 2 B 43 43 ALA N N 824 123.420 121.181 2.239 1
1 1572 . 15 2 2 B 44 44 GLY H H 825 8.346 8.311 0.035 1
1 1573 . 15 2 2 B 44 44 GLY HA2 H 825 3.973 3.964 0.009 1
1 1574 . 15 2 2 B 44 44 GLY HA3 H 825 3.973 3.967 0.006 1
1 1575 . 15 2 2 B 44 44 GLY CA C 825 45.123 46.983 -1.860 1
1 1576 . 15 2 2 B 44 44 GLY N N 825 107.559 105.409 2.150 1
1 1577 . 15 2 2 B 45 45 GLN H H 826 8.204 8.000 0.204 1
1 1578 . 15 2 2 B 45 45 GLN HA H 826 4.377 4.436 -0.059 1
1 1585 . 15 2 2 B 45 45 GLN CA C 826 55.686 55.425 0.261 1
1 1586 . 15 2 2 B 45 45 GLN CB C 826 29.376 29.225 0.151 1
1 1588 . 15 2 2 B 45 45 GLN N N 826 119.266 117.592 1.674 1
1 1590 . 15 2 2 B 46 46 ASN H H 827 8.556 7.602 0.954 1
1 1591 . 15 2 2 B 46 46 ASN HA H 827 4.824 5.040 -0.216 1
1 1596 . 15 2 2 B 46 46 ASN CA C 827 53.216 51.411 1.805 1
1 1597 . 15 2 2 B 46 46 ASN CB C 827 38.759 41.700 -2.941 1
1 1598 . 15 2 2 B 46 46 ASN N N 827 119.266 119.592 -0.326 1
1 1600 . 15 2 2 B 47 47 THR H H 828 8.127 8.791 -0.664 1
1 1601 . 15 2 2 B 47 47 THR HA H 828 4.414 4.091 0.323 1
1 1606 . 15 2 2 B 47 47 THR CA C 828 61.564 63.836 -2.272 1
1 1607 . 15 2 2 B 47 47 THR CB C 828 69.507 68.630 0.877 1
1 1609 . 15 2 2 B 47 47 THR N N 828 113.790 116.343 -2.553 1
1 1610 . 15 2 2 B 48 48 VAL H H 829 8.140 7.651 0.489 1
1 1611 . 15 2 2 B 48 48 VAL HA H 829 4.091 4.144 -0.053 1
1 1619 . 15 2 2 B 48 48 VAL CA C 829 62.146 58.663 3.483 1
1 1620 . 15 2 2 B 48 48 VAL CB C 829 32.515 35.135 -2.620 1
1 1623 . 15 2 2 B 48 48 VAL N N 829 120.776 115.128 5.648 1
1 1624 . 15 2 2 B 49 49 ASP H H 830 8.287 8.722 -0.435 1
1 1625 . 15 2 2 B 49 49 ASP HA H 830 4.617 4.977 -0.360 1
1 1628 . 15 2 2 B 49 49 ASP CA C 830 54.308 52.981 1.327 1
1 1629 . 15 2 2 B 49 49 ASP CB C 830 41.241 44.101 -2.860 1
1 1630 . 15 2 2 B 49 49 ASP N N 830 123.042 120.571 2.471 1
1 1631 . 15 2 2 B 50 50 GLU H H 831 8.242 8.970 -0.728 1
1 1632 . 15 2 2 B 50 50 GLU HA H 831 4.261 4.057 0.204 1
1 1637 . 15 2 2 B 50 50 GLU CA C 831 56.521 59.738 -3.217 1
1 1638 . 15 2 2 B 50 50 GLU CB C 831 30.209 29.156 1.053 1
1 1640 . 15 2 2 B 50 50 GLU N N 831 120.776 121.679 -0.903 1
1 1641 . 15 2 2 B 51 51 VAL H H 832 8.044 7.740 0.304 1
1 1642 . 15 2 2 B 51 51 VAL HA H 832 3.988 4.054 -0.066 1
1 1650 . 15 2 2 B 51 51 VAL CA C 832 62.472 63.512 -1.040 1
1 1651 . 15 2 2 B 51 51 VAL CB C 832 32.278 31.639 0.639 1
1 1654 . 15 2 2 B 51 51 VAL N N 832 120.021 116.701 3.320 1
1 1655 . 15 2 2 B 52 52 TYR H H 833 8.148 7.929 0.219 1
1 1656 . 15 2 2 B 52 52 TYR HA H 833 4.598 4.716 -0.118 1
1 1663 . 15 2 2 B 52 52 TYR CA C 833 57.743 58.672 -0.929 1
1 1664 . 15 2 2 B 52 52 TYR CB C 833 38.702 40.373 -1.671 1
1 1667 . 15 2 2 B 52 52 TYR N N 833 122.854 120.004 2.850 1
1 1668 . 15 2 2 B 53 53 VAL H H 834 7.868 7.140 0.728 1
1 1669 . 15 2 2 B 53 53 VAL HA H 834 4.114 4.305 -0.191 1
1 1677 . 15 2 2 B 53 53 VAL CA C 834 61.508 61.134 0.374 1
1 1678 . 15 2 2 B 53 53 VAL CB C 834 33.010 31.041 1.969 1
1 1681 . 15 2 2 B 53 53 VAL N N 834 121.721 113.507 8.214 1
1 1682 . 15 2 2 B 54 54 SER H H 835 8.237 8.153 0.084 1
1 1683 . 15 2 2 B 54 54 SER HA H 835 4.422 4.123 0.299 1
1 1686 . 15 2 2 B 54 54 SER CA C 835 57.823 59.535 -1.712 1
1 1687 . 15 2 2 B 54 54 SER CB C 835 63.437 61.185 2.252 1
1 1688 . 15 2 2 B 54 54 SER N N 835 119.077 115.013 4.064 1
1 1689 . 15 2 2 B 55 55 ARG H H 836 8.284 7.965 0.319 1
1 1690 . 15 2 2 B 55 55 ARG HA H 836 4.701 4.430 0.271 1
1 1697 . 15 2 2 B 55 55 ARG CA C 836 53.601 54.837 -1.236 1
1 1698 . 15 2 2 B 55 55 ARG CB C 836 30.394 29.890 0.504 1
1 1701 . 15 2 2 B 55 55 ARG N N 836 123.798 121.898 1.900 1
1 1702 . 15 2 2 B 56 56 PRO HA H 837 4.485 4.472 0.013 1
1 1709 . 15 2 2 B 56 56 PRO CA C 837 63.351 64.210 -0.859 1
1 1710 . 15 2 2 B 56 56 PRO CB C 837 31.795 31.859 -0.064 1
1 7 . 16 1 1 A 2 2 THR HA H 341 4.462 4.330 0.132 1
1 12 . 16 1 1 A 2 2 THR CA C 341 61.936 63.620 -1.684 1
1 13 . 16 1 1 A 2 2 THR CB C 341 69.770 69.001 0.769 1
1 15 . 16 1 1 A 3 3 GLY HA2 H 342 4.141 4.052 0.089 1
1 16 . 16 1 1 A 3 3 GLY HA3 H 342 4.238 4.052 0.186 1
1 17 . 16 1 1 A 3 3 GLY CA C 342 44.424 45.066 -0.642 1
1 18 . 16 1 1 A 4 4 PRO HA H 343 4.567 4.318 0.249 1
1 25 . 16 1 1 A 4 4 PRO CA C 343 63.088 64.882 -1.794 1
1 26 . 16 1 1 A 4 4 PRO CB C 343 32.443 31.837 0.606 1
1 29 . 16 1 1 A 5 5 THR H H 344 8.284 8.005 0.279 1
1 30 . 16 1 1 A 5 5 THR HA H 344 4.342 4.225 0.117 1
1 35 . 16 1 1 A 5 5 THR CA C 344 61.936 63.431 -1.495 1
1 36 . 16 1 1 A 5 5 THR CB C 344 69.539 68.849 0.690 1
1 38 . 16 1 1 A 5 5 THR N N 344 113.968 109.312 4.656 1
1 39 . 16 1 1 A 6 6 ALA H H 345 8.269 7.971 0.298 1
1 40 . 16 1 1 A 6 6 ALA HA H 345 4.434 4.523 -0.089 1
1 44 . 16 1 1 A 6 6 ALA CA C 345 52.028 51.423 0.605 1
1 45 . 16 1 1 A 6 6 ALA CB C 345 19.771 20.168 -0.397 1
1 46 . 16 1 1 A 6 6 ALA N N 345 126.619 123.599 3.020 1
1 47 . 16 1 1 A 7 7 ASP H H 346 8.454 7.166 1.288 1
1 48 . 16 1 1 A 7 7 ASP HA H 346 4.917 4.630 0.287 1
1 51 . 16 1 1 A 7 7 ASP CA C 346 52.719 52.115 0.604 1
1 52 . 16 1 1 A 7 7 ASP CB C 346 41.659 41.901 -0.242 1
1 53 . 16 1 1 A 7 7 ASP N N 346 120.766 121.201 -0.435 1
1 54 . 16 1 1 A 8 8 PRO HA H 347 4.398 4.288 0.110 1
1 61 . 16 1 1 A 8 8 PRO CA C 347 64.931 65.066 -0.135 1
1 62 . 16 1 1 A 8 8 PRO CB C 347 32.388 32.141 0.247 1
1 65 . 16 1 1 A 9 9 GLU H H 348 8.113 7.919 0.194 1
1 66 . 16 1 1 A 9 9 GLU HA H 348 4.154 4.137 0.017 1
1 71 . 16 1 1 A 9 9 GLU CB C 348 30.138 29.444 0.694 1
1 73 . 16 1 1 A 9 9 GLU N N 348 116.423 118.406 -1.983 1
1 74 . 16 1 1 A 10 10 LYS H H 349 7.699 8.243 -0.544 1
1 75 . 16 1 1 A 10 10 LYS HA H 349 3.982 3.991 -0.009 1
1 84 . 16 1 1 A 10 10 LYS CA C 349 60.092 59.528 0.564 1
1 85 . 16 1 1 A 10 10 LYS CB C 349 32.558 32.482 0.076 1
1 89 . 16 1 1 A 10 10 LYS N N 349 119.255 120.022 -0.767 1
1 90 . 16 1 1 A 11 11 ARG H H 350 7.845 7.912 -0.067 1
1 91 . 16 1 1 A 11 11 ARG HA H 350 3.656 3.969 -0.313 1
1 98 . 16 1 1 A 11 11 ARG CA C 350 60.092 59.282 0.810 1
1 99 . 16 1 1 A 11 11 ARG CB C 350 28.295 29.936 -1.641 1
1 102 . 16 1 1 A 11 11 ARG N N 350 117.178 119.368 -2.190 1
1 103 . 16 1 1 A 12 12 LYS H H 351 7.888 7.716 0.172 1
1 104 . 16 1 1 A 12 12 LYS HA H 351 4.198 4.113 0.085 1
1 109 . 16 1 1 A 12 12 LYS CA C 351 59.631 59.277 0.354 1
1 110 . 16 1 1 A 12 12 LYS CB C 351 32.673 32.056 0.617 1
1 112 . 16 1 1 A 12 12 LYS N N 351 117.745 118.275 -0.530 1
1 113 . 16 1 1 A 13 13 LEU H H 352 7.696 7.783 -0.087 1
1 114 . 16 1 1 A 13 13 LEU HA H 352 4.259 4.050 0.209 1
1 124 . 16 1 1 A 13 13 LEU CA C 352 58.019 57.886 0.133 1
1 125 . 16 1 1 A 13 13 LEU CB C 352 42.120 41.578 0.542 1
1 129 . 16 1 1 A 13 13 LEU N N 352 119.444 119.786 -0.342 1
1 130 . 16 1 1 A 14 14 ILE H H 353 7.831 7.531 0.300 1
1 131 . 16 1 1 A 14 14 ILE HA H 353 3.648 3.801 -0.153 1
1 141 . 16 1 1 A 14 14 ILE CA C 353 65.392 64.022 1.370 1
1 142 . 16 1 1 A 14 14 ILE CB C 353 38.203 37.459 0.744 1
1 146 . 16 1 1 A 14 14 ILE N N 353 118.311 115.346 2.965 1
1 147 . 16 1 1 A 15 15 GLN H H 354 8.178 8.009 0.169 1
1 148 . 16 1 1 A 15 15 GLN HA H 354 3.791 3.875 -0.084 1
1 155 . 16 1 1 A 15 15 GLN CA C 354 59.631 59.121 0.510 1
1 156 . 16 1 1 A 15 15 GLN CB C 354 30.369 28.251 2.118 1
1 158 . 16 1 1 A 15 15 GLN N N 354 116.423 121.080 -4.657 1
1 160 . 16 1 1 A 16 16 GLN H H 355 8.192 8.586 -0.394 1
1 161 . 16 1 1 A 16 16 GLN HA H 355 3.799 3.994 -0.195 1
1 168 . 16 1 1 A 16 16 GLN CA C 355 59.171 59.132 0.039 1
1 169 . 16 1 1 A 16 16 GLN CB C 355 28.986 28.460 0.526 1
1 171 . 16 1 1 A 16 16 GLN N N 355 117.178 118.671 -1.493 1
1 173 . 16 1 1 A 17 17 GLN H H 356 7.970 7.483 0.487 1
1 174 . 16 1 1 A 17 17 GLN HA H 356 3.136 4.054 -0.918 1
1 181 . 16 1 1 A 17 17 GLN CA C 356 60.323 58.608 1.715 1
1 182 . 16 1 1 A 17 17 GLN CB C 356 27.143 28.213 -1.070 1
1 184 . 16 1 1 A 17 17 GLN N N 356 118.311 119.695 -1.384 1
1 186 . 16 1 1 A 18 18 LEU H H 357 8.408 8.040 0.368 1
1 187 . 16 1 1 A 18 18 LEU HA H 357 3.863 3.994 -0.131 1
1 197 . 16 1 1 A 18 18 LEU CA C 357 58.710 58.334 0.376 1
1 198 . 16 1 1 A 18 18 LEU CB C 357 40.968 41.643 -0.675 1
1 202 . 16 1 1 A 18 18 LEU N N 357 117.934 121.112 -3.178 1
1 203 . 16 1 1 A 19 19 VAL H H 358 8.544 8.183 0.361 1
1 204 . 16 1 1 A 19 19 VAL HA H 358 3.479 3.407 0.072 1
1 212 . 16 1 1 A 19 19 VAL CA C 358 66.544 66.925 -0.381 1
1 213 . 16 1 1 A 19 19 VAL CB C 358 31.060 31.387 -0.327 1
1 216 . 16 1 1 A 19 19 VAL N N 358 116.423 119.061 -2.638 1
1 217 . 16 1 1 A 20 20 LEU H H 359 7.820 8.001 -0.181 1
1 218 . 16 1 1 A 20 20 LEU HA H 359 3.952 3.924 0.028 1
1 228 . 16 1 1 A 20 20 LEU CA C 359 58.019 58.081 -0.062 1
1 229 . 16 1 1 A 20 20 LEU CB C 359 42.696 41.160 1.536 1
1 233 . 16 1 1 A 20 20 LEU N N 359 120.955 120.182 0.773 1
1 234 . 16 1 1 A 21 21 LEU H H 360 8.278 8.047 0.231 1
1 235 . 16 1 1 A 21 21 LEU HA H 360 3.868 4.080 -0.212 1
1 245 . 16 1 1 A 21 21 LEU CA C 360 58.710 57.990 0.720 1
1 246 . 16 1 1 A 21 21 LEU CB C 360 42.811 41.590 1.221 1
1 250 . 16 1 1 A 21 21 LEU N N 360 121.144 119.402 1.742 1
1 251 . 16 1 1 A 22 22 LEU H H 361 8.331 8.190 0.141 1
1 252 . 16 1 1 A 22 22 LEU HA H 361 3.919 3.925 -0.006 1
1 262 . 16 1 1 A 22 22 LEU CA C 361 57.788 58.010 -0.222 1
1 263 . 16 1 1 A 22 22 LEU CB C 361 41.083 41.393 -0.310 1
1 267 . 16 1 1 A 22 22 LEU N N 361 118.500 117.917 0.583 1
1 268 . 16 1 1 A 23 23 HIS H H 362 8.620 8.420 0.200 1
1 269 . 16 1 1 A 23 23 HIS HA H 362 4.114 4.251 -0.137 1
1 274 . 16 1 1 A 23 23 HIS CA C 362 60.323 59.635 0.688 1
1 275 . 16 1 1 A 23 23 HIS CB C 362 27.834 29.688 -1.854 1
1 278 . 16 1 1 A 23 23 HIS N N 362 117.934 117.954 -0.020 1
1 279 . 16 1 1 A 24 24 ALA H H 363 9.049 8.430 0.619 1
1 280 . 16 1 1 A 24 24 ALA HA H 363 3.954 3.999 -0.045 1
1 284 . 16 1 1 A 24 24 ALA CA C 363 55.253 55.143 0.110 1
1 285 . 16 1 1 A 24 24 ALA CB C 363 19.079 18.174 0.905 1
1 286 . 16 1 1 A 24 24 ALA N N 363 121.710 120.638 1.072 1
1 287 . 16 1 1 A 25 25 HIS H H 364 7.955 7.796 0.159 1
1 288 . 16 1 1 A 25 25 HIS HA H 364 4.130 4.335 -0.205 1
1 293 . 16 1 1 A 25 25 HIS CA C 364 60.092 59.431 0.661 1
1 294 . 16 1 1 A 25 25 HIS CB C 364 31.060 29.707 1.353 1
1 297 . 16 1 1 A 25 25 HIS N N 364 115.856 117.647 -1.791 1
1 298 . 16 1 1 A 26 26 LYS H H 365 7.053 8.167 -1.114 1
1 299 . 16 1 1 A 26 26 LYS HA H 365 4.014 3.964 0.050 1
1 302 . 16 1 1 A 26 26 LYS CA C 365 57.788 59.069 -1.281 1
1 303 . 16 1 1 A 26 26 LYS CB C 365 32.903 31.932 0.971 1
1 304 . 16 1 1 A 26 26 LYS N N 365 117.178 117.789 -0.611 1
1 305 . 16 1 1 A 27 27 CYS H H 366 8.592 7.841 0.751 1
1 306 . 16 1 1 A 27 27 CYS HA H 366 3.741 4.039 -0.298 1
1 309 . 16 1 1 A 27 27 CYS CA C 366 62.396 62.236 0.160 1
1 310 . 16 1 1 A 27 27 CYS CB C 366 29.678 27.026 2.652 1
1 311 . 16 1 1 A 27 27 CYS N N 366 123.976 118.722 5.254 1
1 312 . 16 1 1 A 28 28 GLN H H 367 8.349 8.327 0.022 1
1 313 . 16 1 1 A 28 28 GLN HA H 367 4.283 3.911 0.372 1
1 320 . 16 1 1 A 28 28 GLN CA C 367 57.327 59.140 -1.813 1
1 321 . 16 1 1 A 28 28 GLN CB C 367 29.217 28.268 0.949 1
1 323 . 16 1 1 A 28 28 GLN N N 367 119.444 120.437 -0.993 1
1 325 . 16 1 1 A 29 29 ARG H H 368 7.635 7.558 0.077 1
1 326 . 16 1 1 A 29 29 ARG HA H 368 4.169 4.036 0.133 1
1 333 . 16 1 1 A 29 29 ARG CA C 368 57.558 59.574 -2.016 1
1 334 . 16 1 1 A 29 29 ARG CB C 368 29.908 30.114 -0.206 1
1 337 . 16 1 1 A 29 29 ARG N N 368 119.444 118.700 0.744 1
1 338 . 16 1 1 A 30 30 ARG H H 369 8.018 7.803 0.215 1
1 339 . 16 1 1 A 30 30 ARG HA H 369 4.260 3.944 0.316 1
1 346 . 16 1 1 A 30 30 ARG CA C 369 57.558 59.576 -2.018 1
1 347 . 16 1 1 A 30 30 ARG CB C 369 30.599 30.070 0.529 1
1 350 . 16 1 1 A 30 30 ARG N N 369 120.388 119.622 0.766 1
1 351 . 16 1 1 A 31 31 GLU H H 370 8.208 8.440 -0.232 1
1 352 . 16 1 1 A 31 31 GLU HA H 370 4.236 4.038 0.198 1
1 357 . 16 1 1 A 31 31 GLU CA C 370 57.788 59.623 -1.835 1
1 358 . 16 1 1 A 31 31 GLU CB C 370 30.369 29.054 1.315 1
1 360 . 16 1 1 A 31 31 GLU N N 370 120.388 118.903 1.485 1
1 361 . 16 1 1 A 32 32 GLN H H 371 8.165 8.193 -0.028 1
1 362 . 16 1 1 A 32 32 GLN HA H 371 4.313 4.103 0.210 1
1 367 . 16 1 1 A 32 32 GLN CA C 371 56.636 59.090 -2.454 1
1 368 . 16 1 1 A 32 32 GLN CB C 371 29.217 29.139 0.078 1
1 370 . 16 1 1 A 32 32 GLN N N 371 118.878 119.421 -0.543 1
1 371 . 16 1 1 A 33 33 ALA H H 372 8.095 8.255 -0.160 1
1 372 . 16 1 1 A 33 33 ALA HA H 372 4.327 4.082 0.245 1
1 376 . 16 1 1 A 33 33 ALA CA C 372 53.180 55.008 -1.828 1
1 377 . 16 1 1 A 33 33 ALA CB C 372 19.079 18.157 0.922 1
1 378 . 16 1 1 A 33 33 ALA N N 372 123.032 121.463 1.569 1
1 379 . 16 1 1 A 34 34 ASN H H 373 8.186 7.859 0.327 1
1 380 . 16 1 1 A 34 34 ASN HA H 373 4.735 4.597 0.138 1
1 383 . 16 1 1 A 34 34 ASN CA C 373 53.410 54.367 -0.957 1
1 384 . 16 1 1 A 34 34 ASN CB C 373 38.894 38.675 0.219 1
1 385 . 16 1 1 A 34 34 ASN N N 373 115.479 115.123 0.356 1
1 386 . 16 1 1 A 35 35 GLY H H 374 8.266 7.940 0.326 1
1 387 . 16 1 1 A 35 35 GLY HA2 H 374 3.943 3.864 0.079 1
1 388 . 16 1 1 A 35 35 GLY HA3 H 374 4.044 3.865 0.179 1
1 389 . 16 1 1 A 35 35 GLY CA C 374 45.576 46.325 -0.749 1
1 390 . 16 1 1 A 35 35 GLY N N 374 108.492 108.384 0.108 1
1 391 . 16 1 1 A 36 36 GLU H H 375 8.132 8.008 0.124 1
1 392 . 16 1 1 A 36 36 GLU HA H 375 4.368 4.589 -0.221 1
1 397 . 16 1 1 A 36 36 GLU CA C 375 55.945 55.668 0.277 1
1 398 . 16 1 1 A 36 36 GLU CB C 375 30.369 30.900 -0.531 1
1 400 . 16 1 1 A 36 36 GLU N N 375 119.822 120.178 -0.356 1
1 401 . 16 1 1 A 37 37 VAL H H 376 8.132 7.541 0.591 1
1 402 . 16 1 1 A 37 37 VAL HA H 376 4.139 4.664 -0.525 1
1 410 . 16 1 1 A 37 37 VAL CA C 376 62.166 59.870 2.296 1
1 411 . 16 1 1 A 37 37 VAL CB C 376 32.673 35.414 -2.741 1
1 414 . 16 1 1 A 37 37 VAL N N 376 121.144 119.511 1.633 1
1 415 . 16 1 1 A 38 38 ARG H H 377 8.455 8.710 -0.255 1
1 416 . 16 1 1 A 38 38 ARG HA H 377 4.392 4.737 -0.345 1
1 423 . 16 1 1 A 38 38 ARG CA C 377 55.253 55.373 -0.120 1
1 424 . 16 1 1 A 38 38 ARG CB C 377 31.060 31.069 -0.009 1
1 427 . 16 1 1 A 38 38 ARG N N 377 125.109 124.831 0.278 1
1 428 . 16 1 1 A 39 39 ALA H H 378 8.384 7.691 0.693 1
1 429 . 16 1 1 A 39 39 ALA HA H 378 4.287 4.820 -0.533 1
1 433 . 16 1 1 A 39 39 ALA CA C 378 52.028 51.343 0.685 1
1 434 . 16 1 1 A 39 39 ALA CB C 378 19.540 23.815 -4.275 1
1 435 . 16 1 1 A 39 39 ALA N N 378 126.053 120.234 5.819 1
1 436 . 16 1 1 A 40 40 CYS H H 379 8.480 8.706 -0.226 1
1 437 . 16 1 1 A 40 40 CYS HA H 379 4.344 4.813 -0.469 1
1 440 . 16 1 1 A 40 40 CYS CA C 379 60.092 57.730 2.362 1
1 441 . 16 1 1 A 40 40 CYS CB C 379 30.138 31.053 -0.915 1
1 442 . 16 1 1 A 40 40 CYS N N 379 123.787 117.067 6.720 1
1 443 . 16 1 1 A 41 41 SER HA H 380 4.588 4.551 0.037 1
1 446 . 16 1 1 A 41 41 SER CA C 380 57.788 58.867 -1.079 1
1 447 . 16 1 1 A 41 41 SER CB C 380 63.779 64.354 -0.575 1
1 448 . 16 1 1 A 42 42 LEU H H 381 8.642 7.241 1.401 1
1 449 . 16 1 1 A 42 42 LEU HA H 381 4.488 4.286 0.202 1
1 459 . 16 1 1 A 42 42 LEU CA C 381 53.871 53.552 0.319 1
1 460 . 16 1 1 A 42 42 LEU CB C 381 41.659 42.104 -0.445 1
1 464 . 16 1 1 A 42 42 LEU N N 381 129.074 122.853 6.221 1
1 465 . 16 1 1 A 43 43 PRO HA H 382 4.095 4.139 -0.044 1
1 472 . 16 1 1 A 43 43 PRO CA C 382 64.470 64.681 -0.211 1
1 473 . 16 1 1 A 43 43 PRO CB C 382 31.751 31.462 0.289 1
1 476 . 16 1 1 A 44 44 HIS H H 383 8.014 8.014 0.000 1
1 477 . 16 1 1 A 44 44 HIS HA H 383 4.527 4.956 -0.429 1
1 482 . 16 1 1 A 44 44 HIS CA C 383 58.249 55.096 3.153 1
1 483 . 16 1 1 A 44 44 HIS CB C 383 30.369 30.117 0.252 1
1 486 . 16 1 1 A 44 44 HIS N N 383 110.569 113.302 -2.733 1
1 487 . 16 1 1 A 45 45 CYS H H 384 7.729 7.789 -0.060 1
1 488 . 16 1 1 A 45 45 CYS HA H 384 4.023 3.915 0.108 1
1 491 . 16 1 1 A 45 45 CYS CA C 384 64.470 62.682 1.788 1
1 492 . 16 1 1 A 45 45 CYS CB C 384 28.756 26.634 2.122 1
1 493 . 16 1 1 A 45 45 CYS N N 384 124.165 120.650 3.515 1
1 494 . 16 1 1 A 46 46 ARG H H 385 8.239 8.096 0.143 1
1 495 . 16 1 1 A 46 46 ARG HA H 385 3.978 4.114 -0.136 1
1 502 . 16 1 1 A 46 46 ARG CA C 385 59.401 58.747 0.654 1
1 503 . 16 1 1 A 46 46 ARG CB C 385 28.986 30.019 -1.033 1
1 506 . 16 1 1 A 46 46 ARG N N 385 116.612 119.238 -2.626 1
1 507 . 16 1 1 A 47 47 THR H H 386 7.496 8.092 -0.596 1
1 508 . 16 1 1 A 47 47 THR HA H 386 4.008 3.912 0.096 1
1 513 . 16 1 1 A 47 47 THR CA C 386 65.853 67.075 -1.222 1
1 514 . 16 1 1 A 47 47 THR CB C 386 68.387 68.465 -0.078 1
1 516 . 16 1 1 A 47 47 THR N N 386 114.346 116.444 -2.098 1
1 517 . 16 1 1 A 48 48 MET H H 387 8.216 8.091 0.125 1
1 518 . 16 1 1 A 48 48 MET HA H 387 4.622 4.050 0.572 1
1 526 . 16 1 1 A 48 48 MET CA C 387 56.636 59.290 -2.654 1
1 527 . 16 1 1 A 48 48 MET CB C 387 31.291 33.024 -1.733 1
1 530 . 16 1 1 A 48 48 MET N N 387 119.444 118.323 1.121 1
1 531 . 16 1 1 A 49 49 LYS H H 388 9.306 8.332 0.974 1
1 532 . 16 1 1 A 49 49 LYS HA H 388 3.923 3.903 0.020 1
1 541 . 16 1 1 A 49 49 LYS CA C 388 61.244 60.384 0.860 1
1 542 . 16 1 1 A 49 49 LYS CB C 388 32.903 32.375 0.528 1
1 546 . 16 1 1 A 49 49 LYS N N 388 122.276 117.717 4.559 1
1 547 . 16 1 1 A 50 50 ASN H H 389 8.069 8.066 0.003 1
1 548 . 16 1 1 A 50 50 ASN HA H 389 4.629 4.606 0.023 1
1 553 . 16 1 1 A 50 50 ASN CA C 389 56.175 56.191 -0.016 1
1 554 . 16 1 1 A 50 50 ASN CB C 389 37.512 38.472 -0.960 1
1 555 . 16 1 1 A 50 50 ASN N N 389 117.178 118.103 -0.925 1
1 557 . 16 1 1 A 51 51 VAL H H 390 8.116 7.894 0.222 1
1 558 . 16 1 1 A 51 51 VAL HA H 390 3.803 3.629 0.174 1
1 566 . 16 1 1 A 51 51 VAL CA C 390 67.235 66.703 0.532 1
1 567 . 16 1 1 A 51 51 VAL CB C 390 31.751 31.404 0.347 1
1 570 . 16 1 1 A 51 51 VAL N N 390 123.598 120.159 3.439 1
1 571 . 16 1 1 A 52 52 LEU H H 391 8.735 8.589 0.146 1
1 572 . 16 1 1 A 52 52 LEU HA H 391 4.123 4.037 0.086 1
1 582 . 16 1 1 A 52 52 LEU CA C 391 58.479 58.277 0.202 1
1 583 . 16 1 1 A 52 52 LEU CB C 391 41.659 41.447 0.212 1
1 587 . 16 1 1 A 52 52 LEU N N 391 120.955 119.223 1.732 1
1 588 . 16 1 1 A 53 53 ASN H H 392 8.231 8.535 -0.304 1
1 589 . 16 1 1 A 53 53 ASN HA H 392 4.561 4.436 0.125 1
1 594 . 16 1 1 A 53 53 ASN CA C 392 56.175 56.541 -0.366 1
1 595 . 16 1 1 A 53 53 ASN CB C 392 38.433 39.340 -0.907 1
1 596 . 16 1 1 A 53 53 ASN N N 392 116.801 117.589 -0.788 1
1 598 . 16 1 1 A 54 54 HIS H H 393 8.049 8.281 -0.232 1
1 599 . 16 1 1 A 54 54 HIS HA H 393 4.418 4.326 0.092 1
1 604 . 16 1 1 A 54 54 HIS CA C 393 59.401 60.091 -0.690 1
1 605 . 16 1 1 A 54 54 HIS CB C 393 27.604 29.991 -2.387 1
1 608 . 16 1 1 A 54 54 HIS N N 393 120.011 119.618 0.393 1
1 609 . 16 1 1 A 55 55 MET H H 394 9.118 8.633 0.485 1
1 610 . 16 1 1 A 55 55 MET HA H 394 3.704 4.007 -0.303 1
1 618 . 16 1 1 A 55 55 MET CA C 394 59.401 58.434 0.967 1
1 619 . 16 1 1 A 55 55 MET CB C 394 34.286 32.452 1.834 1
1 622 . 16 1 1 A 55 55 MET N N 394 119.066 116.828 2.238 1
1 623 . 16 1 1 A 56 56 THR H H 395 7.521 8.041 -0.520 1
1 624 . 16 1 1 A 56 56 THR HA H 395 3.915 4.207 -0.292 1
1 629 . 16 1 1 A 56 56 THR CA C 395 65.392 64.556 0.836 1
1 630 . 16 1 1 A 56 56 THR CB C 395 69.309 68.323 0.986 1
1 632 . 16 1 1 A 56 56 THR N N 395 110.758 115.056 -4.298 1
1 633 . 16 1 1 A 57 57 HIS H H 396 7.023 7.857 -0.834 1
1 634 . 16 1 1 A 57 57 HIS HA H 396 4.846 4.772 0.074 1
1 639 . 16 1 1 A 57 57 HIS CA C 396 55.023 55.908 -0.885 1
1 640 . 16 1 1 A 57 57 HIS CB C 396 30.830 31.557 -0.727 1
1 643 . 16 1 1 A 57 57 HIS N N 396 115.668 115.705 -0.037 1
1 644 . 16 1 1 A 58 58 CYS H H 397 7.134 7.613 -0.479 1
1 645 . 16 1 1 A 58 58 CYS HA H 397 4.048 4.126 -0.078 1
1 648 . 16 1 1 A 58 58 CYS CA C 397 60.784 59.326 1.458 1
1 649 . 16 1 1 A 58 58 CYS CB C 397 29.678 28.421 1.257 1
1 650 . 16 1 1 A 58 58 CYS N N 397 123.598 119.295 4.303 1
1 651 . 16 1 1 A 59 59 GLN HA H 398 4.710 4.509 0.201 1
1 656 . 16 1 1 A 59 59 GLN CA C 398 55.023 56.231 -1.208 1
1 657 . 16 1 1 A 59 59 GLN CB C 398 29.678 29.360 0.318 1
1 659 . 16 1 1 A 60 60 ALA H H 399 8.689 7.225 1.464 1
1 660 . 16 1 1 A 60 60 ALA HA H 399 4.414 4.256 0.158 1
1 664 . 16 1 1 A 60 60 ALA CA C 399 52.949 52.040 0.909 1
1 665 . 16 1 1 A 60 60 ALA CB C 399 20.001 19.519 0.482 1
1 666 . 16 1 1 A 60 60 ALA N N 399 124.731 121.207 3.524 1
1 667 . 16 1 1 A 61 61 GLY H H 400 8.166 8.300 -0.134 1
1 668 . 16 1 1 A 61 61 GLY HA2 H 400 3.621 3.918 -0.297 1
1 669 . 16 1 1 A 61 61 GLY HA3 H 400 3.976 3.922 0.054 1
1 670 . 16 1 1 A 61 61 GLY CA C 400 46.267 46.632 -0.365 1
1 671 . 16 1 1 A 61 61 GLY N N 400 107.926 107.572 0.354 1
1 672 . 16 1 1 A 62 62 LYS HA H 401 4.138 4.366 -0.228 1
1 673 . 16 1 1 A 62 62 LYS CA C 401 58.479 57.170 1.309 1
1 674 . 16 1 1 A 63 63 ALA H H 402 7.671 7.484 0.187 1
1 675 . 16 1 1 A 63 63 ALA HA H 402 4.448 4.528 -0.080 1
1 679 . 16 1 1 A 63 63 ALA CA C 402 51.336 51.317 0.019 1
1 680 . 16 1 1 A 63 63 ALA CB C 402 19.079 20.715 -1.636 1
1 681 . 16 1 1 A 63 63 ALA N N 402 119.444 121.617 -2.173 1
1 682 . 16 1 1 A 64 64 CYS H H 403 7.497 7.356 0.141 1
1 683 . 16 1 1 A 64 64 CYS HA H 403 3.857 4.365 -0.508 1
1 686 . 16 1 1 A 64 64 CYS CA C 403 62.396 59.561 2.835 1
1 687 . 16 1 1 A 64 64 CYS CB C 403 29.908 28.821 1.087 1
1 688 . 16 1 1 A 64 64 CYS N N 403 121.899 118.580 3.319 1
1 689 . 16 1 1 A 65 65 GLN H H 404 9.025 8.743 0.282 1
1 690 . 16 1 1 A 65 65 GLN HA H 404 4.463 4.271 0.192 1
1 697 . 16 1 1 A 65 65 GLN CA C 404 55.673 57.514 -1.841 1
1 698 . 16 1 1 A 65 65 GLN CB C 404 29.332 29.247 0.085 1
1 700 . 16 1 1 A 65 65 GLN N N 404 128.885 122.921 5.964 1
1 702 . 16 1 1 A 66 66 VAL H H 405 9.337 7.284 2.053 1
1 703 . 16 1 1 A 66 66 VAL HA H 405 3.631 4.080 -0.449 1
1 711 . 16 1 1 A 66 66 VAL CA C 405 64.240 63.232 1.008 1
1 712 . 16 1 1 A 66 66 VAL CB C 405 30.830 31.320 -0.490 1
1 715 . 16 1 1 A 66 66 VAL N N 405 127.752 120.324 7.428 1
1 716 . 16 1 1 A 67 67 ALA H H 406 8.581 8.850 -0.269 1
1 717 . 16 1 1 A 67 67 ALA HA H 406 3.761 3.949 -0.188 1
1 721 . 16 1 1 A 67 67 ALA CA C 406 54.101 55.526 -1.425 1
1 722 . 16 1 1 A 67 67 ALA CB C 406 17.467 18.057 -0.590 1
1 723 . 16 1 1 A 67 67 ALA N N 406 133.983 129.606 4.377 1
1 724 . 16 1 1 A 68 68 HIS H H 407 8.099 7.707 0.392 1
1 725 . 16 1 1 A 68 68 HIS HA H 407 4.407 4.378 0.029 1
1 730 . 16 1 1 A 68 68 HIS CA C 407 57.327 58.837 -1.510 1
1 731 . 16 1 1 A 68 68 HIS CB C 407 29.447 29.337 0.110 1
1 734 . 16 1 1 A 68 68 HIS N N 407 110.569 115.325 -4.756 1
1 735 . 16 1 1 A 69 69 CYS H H 408 8.086 8.075 0.011 1
1 736 . 16 1 1 A 69 69 CYS HA H 408 4.163 4.049 0.114 1
1 739 . 16 1 1 A 69 69 CYS CA C 408 64.240 62.624 1.616 1
1 740 . 16 1 1 A 69 69 CYS CB C 408 29.908 27.090 2.818 1
1 741 . 16 1 1 A 69 69 CYS N N 408 126.619 118.767 7.852 1
1 742 . 16 1 1 A 70 70 ALA H H 409 8.728 8.096 0.632 1
1 743 . 16 1 1 A 70 70 ALA HA H 409 4.333 4.045 0.288 1
1 747 . 16 1 1 A 70 70 ALA CA C 409 55.253 55.459 -0.206 1
1 748 . 16 1 1 A 70 70 ALA CB C 409 17.697 18.073 -0.376 1
1 749 . 16 1 1 A 70 70 ALA N N 409 118.689 123.088 -4.399 1
1 750 . 16 1 1 A 71 71 SER H H 410 9.179 8.159 1.020 1
1 751 . 16 1 1 A 71 71 SER HA H 410 4.138 4.114 0.024 1
1 754 . 16 1 1 A 71 71 SER CA C 410 60.323 62.193 -1.870 1
1 755 . 16 1 1 A 71 71 SER CB C 410 61.244 62.891 -1.647 1
1 756 . 16 1 1 A 71 71 SER N N 410 114.535 113.948 0.587 1
1 757 . 16 1 1 A 72 72 SER H H 411 7.937 8.305 -0.368 1
1 758 . 16 1 1 A 72 72 SER HA H 411 4.048 4.222 -0.174 1
1 762 . 16 1 1 A 72 72 SER CA C 411 64.240 61.517 2.723 1
1 763 . 16 1 1 A 72 72 SER CB C 411 62.396 62.842 -0.446 1
1 764 . 16 1 1 A 72 72 SER N N 411 120.766 117.178 3.588 1
1 765 . 16 1 1 A 73 73 ARG H H 412 8.835 8.120 0.715 1
1 766 . 16 1 1 A 73 73 ARG HA H 412 3.855 4.047 -0.192 1
1 773 . 16 1 1 A 73 73 ARG CA C 412 60.323 59.268 1.055 1
1 774 . 16 1 1 A 73 73 ARG CB C 412 30.369 29.845 0.524 1
1 777 . 16 1 1 A 73 73 ARG N N 412 122.276 121.312 0.964 1
1 778 . 16 1 1 A 74 74 GLN H H 413 7.873 7.495 0.378 1
1 779 . 16 1 1 A 74 74 GLN HA H 413 4.182 4.148 0.034 1
1 786 . 16 1 1 A 74 74 GLN CA C 413 58.710 58.673 0.037 1
1 787 . 16 1 1 A 74 74 GLN CB C 413 29.447 28.633 0.814 1
1 789 . 16 1 1 A 74 74 GLN N N 413 118.689 118.348 0.341 1
1 791 . 16 1 1 A 75 75 ILE H H 414 8.754 8.372 0.382 1
1 792 . 16 1 1 A 75 75 ILE HA H 414 3.617 3.998 -0.381 1
1 802 . 16 1 1 A 75 75 ILE CA C 414 66.544 64.576 1.968 1
1 803 . 16 1 1 A 75 75 ILE CB C 414 38.664 37.542 1.122 1
1 807 . 16 1 1 A 75 75 ILE N N 414 121.710 120.322 1.388 1
1 808 . 16 1 1 A 76 76 ILE H H 415 8.856 8.237 0.619 1
1 809 . 16 1 1 A 76 76 ILE HA H 415 3.863 3.639 0.224 1
1 819 . 16 1 1 A 76 76 ILE CA C 415 64.701 65.234 -0.533 1
1 820 . 16 1 1 A 76 76 ILE CB C 415 37.051 37.605 -0.554 1
1 824 . 16 1 1 A 76 76 ILE N N 415 120.199 122.902 -2.703 1
1 825 . 16 1 1 A 77 77 SER H H 416 7.981 8.163 -0.182 1
1 826 . 16 1 1 A 77 77 SER HA H 416 4.153 4.288 -0.135 1
1 829 . 16 1 1 A 77 77 SER CA C 416 62.166 60.255 1.911 1
1 830 . 16 1 1 A 77 77 SER CB C 416 62.627 63.223 -0.596 1
1 831 . 16 1 1 A 77 77 SER N N 416 114.346 115.590 -1.244 1
1 832 . 16 1 1 A 78 78 HIS H H 417 8.126 7.559 0.567 1
1 833 . 16 1 1 A 78 78 HIS HA H 417 4.154 4.346 -0.192 1
1 838 . 16 1 1 A 78 78 HIS CA C 417 60.553 59.623 0.930 1
1 839 . 16 1 1 A 78 78 HIS CB C 417 28.065 30.553 -2.488 1
1 842 . 16 1 1 A 78 78 HIS N N 417 118.878 121.412 -2.534 1
1 843 . 16 1 1 A 79 79 TRP H H 418 8.417 8.418 -0.001 1
1 844 . 16 1 1 A 79 79 TRP HA H 418 4.451 4.294 0.157 1
1 853 . 16 1 1 A 79 79 TRP CA C 418 59.862 60.466 -0.604 1
1 854 . 16 1 1 A 79 79 TRP CB C 418 30.369 29.831 0.538 1
1 860 . 16 1 1 A 79 79 TRP N N 418 119.255 121.304 -2.049 1
1 862 . 16 1 1 A 80 80 LYS H H 419 8.412 7.778 0.634 1
1 863 . 16 1 1 A 80 80 LYS HA H 419 3.714 3.835 -0.121 1
1 872 . 16 1 1 A 80 80 LYS CA C 419 58.710 58.054 0.656 1
1 873 . 16 1 1 A 80 80 LYS CB C 419 32.673 32.054 0.619 1
1 877 . 16 1 1 A 80 80 LYS N N 419 115.101 117.948 -2.847 1
1 878 . 16 1 1 A 81 81 ASN H H 420 7.416 7.751 -0.335 1
1 879 . 16 1 1 A 81 81 ASN HA H 420 4.713 4.718 -0.005 1
1 884 . 16 1 1 A 81 81 ASN CA C 420 53.410 53.701 -0.291 1
1 885 . 16 1 1 A 81 81 ASN CB C 420 40.737 41.074 -0.337 1
1 886 . 16 1 1 A 81 81 ASN N N 420 113.968 114.570 -0.602 1
1 888 . 16 1 1 A 82 82 CYS H H 421 7.617 7.573 0.044 1
1 889 . 16 1 1 A 82 82 CYS HA H 421 3.986 4.218 -0.232 1
1 892 . 16 1 1 A 82 82 CYS CA C 421 61.244 59.366 1.878 1
1 893 . 16 1 1 A 82 82 CYS CB C 421 28.756 27.951 0.805 1
1 894 . 16 1 1 A 82 82 CYS N N 421 124.354 118.588 5.766 1
1 895 . 16 1 1 A 83 83 THR H H 422 8.535 8.477 0.058 1
1 896 . 16 1 1 A 83 83 THR HA H 422 4.527 4.228 0.299 1
1 901 . 16 1 1 A 83 83 THR CA C 422 60.553 63.038 -2.485 1
1 902 . 16 1 1 A 83 83 THR CB C 422 69.309 69.255 0.054 1
1 904 . 16 1 1 A 83 83 THR N N 422 118.500 119.411 -0.911 1
1 905 . 16 1 1 A 84 84 ARG HA H 423 4.448 4.250 0.198 1
1 912 . 16 1 1 A 84 84 ARG CA C 423 56.175 55.846 0.329 1
1 913 . 16 1 1 A 84 84 ARG CB C 423 31.521 30.729 0.792 1
1 916 . 16 1 1 A 85 85 HIS HA H 424 4.391 4.507 -0.116 1
1 921 . 16 1 1 A 85 85 HIS CA C 424 58.479 57.065 1.414 1
1 922 . 16 1 1 A 85 85 HIS CB C 424 30.138 29.768 0.370 1
1 925 . 16 1 1 A 86 86 ASP H H 425 7.962 7.971 -0.009 1
1 926 . 16 1 1 A 86 86 ASP HA H 425 4.525 4.706 -0.181 1
1 929 . 16 1 1 A 86 86 ASP CA C 425 51.567 52.991 -1.424 1
1 930 . 16 1 1 A 86 86 ASP CB C 425 39.585 41.601 -2.016 1
1 931 . 16 1 1 A 86 86 ASP N N 425 116.612 116.252 0.360 1
1 932 . 16 1 1 A 87 87 CYS H H 426 6.974 7.302 -0.328 1
1 933 . 16 1 1 A 87 87 CYS HA H 426 4.247 4.426 -0.179 1
1 936 . 16 1 1 A 87 87 CYS CA C 426 57.558 57.666 -0.108 1
1 937 . 16 1 1 A 87 87 CYS CB C 426 31.291 28.562 2.729 1
1 938 . 16 1 1 A 87 87 CYS N N 426 122.276 120.625 1.651 1
1 939 . 16 1 1 A 88 88 PRO HA H 427 4.445 4.403 0.042 1
1 944 . 16 1 1 A 88 88 PRO CA C 427 64.009 64.534 -0.525 1
1 945 . 16 1 1 A 88 88 PRO CB C 427 32.558 31.936 0.622 1
1 947 . 16 1 1 A 89 89 VAL H H 428 8.460 7.289 1.171 1
1 948 . 16 1 1 A 89 89 VAL HA H 428 3.719 3.925 -0.206 1
1 956 . 16 1 1 A 89 89 VAL CA C 428 65.622 64.236 1.386 1
1 957 . 16 1 1 A 89 89 VAL CB C 428 33.134 31.967 1.167 1
1 960 . 16 1 1 A 89 89 VAL N N 428 119.822 115.555 4.267 1
1 961 . 16 1 1 A 90 90 CYS H H 429 8.729 8.045 0.684 1
1 962 . 16 1 1 A 90 90 CYS HA H 429 4.225 4.310 -0.085 1
1 965 . 16 1 1 A 90 90 CYS CA C 429 63.779 62.751 1.028 1
1 966 . 16 1 1 A 90 90 CYS CB C 429 31.291 26.956 4.335 1
1 967 . 16 1 1 A 90 90 CYS N N 429 118.878 117.642 1.236 1
1 968 . 16 1 1 A 91 91 LEU H H 430 7.907 7.968 -0.061 1
1 969 . 16 1 1 A 91 91 LEU HA H 430 4.214 4.135 0.079 1
1 979 . 16 1 1 A 91 91 LEU CA C 430 60.323 60.194 0.129 1
1 980 . 16 1 1 A 91 91 LEU CB C 430 39.125 40.287 -1.162 1
1 984 . 16 1 1 A 91 91 LEU N N 430 118.878 123.228 -4.350 1
1 985 . 16 1 1 A 92 92 PRO HA H 431 4.460 4.349 0.111 1
1 992 . 16 1 1 A 92 92 PRO CA C 431 65.161 66.140 -0.979 1
1 993 . 16 1 1 A 92 92 PRO CB C 431 31.291 30.826 0.465 1
1 996 . 16 1 1 A 93 93 LEU H H 432 7.459 7.258 0.201 1
1 997 . 16 1 1 A 93 93 LEU HA H 432 4.359 3.831 0.528 1
1 1007 . 16 1 1 A 93 93 LEU CA C 432 55.945 57.316 -1.371 1
1 1008 . 16 1 1 A 93 93 LEU CB C 432 42.350 40.835 1.515 1
1 1012 . 16 1 1 A 93 93 LEU N N 432 115.290 115.671 -0.381 1
1 1013 . 16 1 1 A 94 94 LYS H H 433 7.975 8.533 -0.558 1
1 1014 . 16 1 1 A 94 94 LYS HA H 433 4.390 4.256 0.134 1
1 1022 . 16 1 1 A 94 94 LYS CA C 433 57.558 60.308 -2.750 1
1 1023 . 16 1 1 A 94 94 LYS CB C 433 33.134 32.210 0.924 1
1 1027 . 16 1 1 A 94 94 LYS N N 433 119.255 118.798 0.457 1
1 1028 . 16 1 1 A 95 95 ASN H H 434 8.368 8.310 0.058 1
1 1029 . 16 1 1 A 95 95 ASN HA H 434 4.733 4.475 0.258 1
1 1034 . 16 1 1 A 95 95 ASN CA C 434 53.410 56.208 -2.798 1
1 1035 . 16 1 1 A 95 95 ASN CB C 434 38.894 38.373 0.521 1
1 1036 . 16 1 1 A 95 95 ASN N N 434 117.934 116.784 1.150 1
1 1038 . 16 1 1 A 96 96 ALA H H 435 8.040 7.805 0.235 1
1 1039 . 16 1 1 A 96 96 ALA HA H 435 4.376 4.145 0.231 1
1 1043 . 16 1 1 A 96 96 ALA CA C 435 52.949 53.816 -0.867 1
1 1044 . 16 1 1 A 96 96 ALA CB C 435 19.310 18.556 0.754 1
1 1045 . 16 1 1 A 96 96 ALA N N 435 123.221 121.457 1.764 1
1 1046 . 16 1 1 A 97 97 SER H H 436 8.138 8.250 -0.112 1
1 1047 . 16 1 1 A 97 97 SER HA H 436 4.450 4.789 -0.339 1
1 1050 . 16 1 1 A 97 97 SER CA C 436 58.710 57.738 0.972 1
1 1051 . 16 1 1 A 97 97 SER CB C 436 63.779 64.956 -1.177 1
1 1052 . 16 1 1 A 97 97 SER N N 436 113.591 113.143 0.448 1
1 1053 . 16 1 1 A 98 98 ASP H H 437 8.214 7.469 0.745 1
1 1054 . 16 1 1 A 98 98 ASP HA H 437 4.662 4.856 -0.194 1
1 1057 . 16 1 1 A 98 98 ASP CA C 437 54.332 53.653 0.679 1
1 1058 . 16 1 1 A 98 98 ASP CB C 437 41.198 44.220 -3.022 1
1 1059 . 16 1 1 A 98 98 ASP N N 437 121.521 121.443 0.078 1
1 1060 . 16 1 1 A 99 99 LYS H H 438 8.062 8.765 -0.703 1
1 1061 . 16 1 1 A 99 99 LYS HA H 438 4.363 3.792 0.571 1
1 1070 . 16 1 1 A 99 99 LYS CA C 438 55.945 57.217 -1.272 1
1 1071 . 16 1 1 A 99 99 LYS CB C 438 32.720 29.776 2.944 1
1 1075 . 16 1 1 A 99 99 LYS N N 438 121.144 121.719 -0.575 1
1 1092 . 16 2 2 B 2 2 SER HA H 783 4.524 4.564 -0.040 1
1 1095 . 16 2 2 B 2 2 SER CA C 783 58.053 58.900 -0.847 1
1 1096 . 16 2 2 B 2 2 SER CB C 783 64.502 64.167 0.335 1
1 1097 . 16 2 2 B 3 3 HIS HA H 784 4.721 5.170 -0.449 1
1 1102 . 16 2 2 B 3 3 HIS CA C 784 55.750 54.368 1.382 1
1 1103 . 16 2 2 B 3 3 HIS CB C 784 30.167 34.503 -4.336 1
1 1106 . 16 2 2 B 4 4 MET HA H 785 4.495 5.064 -0.569 1
1 1114 . 16 2 2 B 4 4 MET CA C 785 55.058 54.338 0.720 1
1 1115 . 16 2 2 B 4 4 MET CB C 785 32.727 37.408 -4.681 1
1 1118 . 16 2 2 B 5 5 VAL H H 786 8.163 8.772 -0.609 1
1 1119 . 16 2 2 B 5 5 VAL HA H 786 4.464 4.827 -0.363 1
1 1127 . 16 2 2 B 5 5 VAL CA C 786 59.478 58.038 1.440 1
1 1128 . 16 2 2 B 5 5 VAL CB C 786 32.606 34.666 -2.060 1
1 1131 . 16 2 2 B 5 5 VAL N N 786 122.854 115.415 7.439 1
1 1132 . 16 2 2 B 6 6 PRO HA H 787 4.437 4.532 -0.095 1
1 1137 . 16 2 2 B 6 6 PRO CA C 787 62.667 63.097 -0.430 1
1 1138 . 16 2 2 B 6 6 PRO CB C 787 32.010 31.818 0.192 1
1 1140 . 16 2 2 B 7 7 GLU H H 788 8.306 8.637 -0.331 1
1 1141 . 16 2 2 B 7 7 GLU HA H 788 4.654 4.435 0.219 1
1 1146 . 16 2 2 B 7 7 GLU CA C 788 53.568 54.167 -0.599 1
1 1147 . 16 2 2 B 7 7 GLU CB C 788 30.011 30.228 -0.217 1
1 1149 . 16 2 2 B 7 7 GLU N N 788 123.231 122.254 0.977 1
1 1150 . 16 2 2 B 8 8 PRO HA H 789 4.490 4.514 -0.024 1
1 1157 . 16 2 2 B 8 8 PRO CA C 789 62.253 62.763 -0.510 1
1 1158 . 16 2 2 B 8 8 PRO CB C 789 32.483 32.191 0.292 1
1 1161 . 16 2 2 B 9 9 ASP H H 790 8.272 8.431 -0.159 1
1 1162 . 16 2 2 B 9 9 ASP HA H 790 4.456 4.596 -0.140 1
1 1165 . 16 2 2 B 9 9 ASP CA C 790 54.137 54.060 0.077 1
1 1166 . 16 2 2 B 9 9 ASP CB C 790 41.016 40.463 0.553 1
1 1167 . 16 2 2 B 9 9 ASP N N 790 118.511 120.375 -1.864 1
1 1168 . 16 2 2 B 10 10 LEU H H 791 8.463 8.283 0.180 1
1 1169 . 16 2 2 B 10 10 LEU HA H 791 4.356 4.301 0.055 1
1 1179 . 16 2 2 B 10 10 LEU CA C 791 52.531 53.296 -0.765 1
1 1180 . 16 2 2 B 10 10 LEU CB C 791 42.609 43.046 -0.437 1
1 1184 . 16 2 2 B 10 10 LEU N N 791 121.343 126.887 -5.544 1
1 1185 . 16 2 2 B 11 11 PRO HA H 792 4.553 4.485 0.068 1
1 1192 . 16 2 2 B 11 11 PRO CA C 792 62.788 63.198 -0.410 1
1 1193 . 16 2 2 B 11 11 PRO CB C 792 32.716 32.289 0.427 1
1 1196 . 16 2 2 B 12 12 HIS HA H 793 3.989 4.138 -0.149 1
1 1201 . 16 2 2 B 12 12 HIS CA C 793 60.326 59.617 0.709 1
1 1202 . 16 2 2 B 12 12 HIS CB C 793 30.803 29.651 1.152 1
1 1205 . 16 2 2 B 13 13 ASP H H 794 8.938 8.910 0.028 1
1 1206 . 16 2 2 B 13 13 ASP HA H 794 4.460 4.296 0.164 1
1 1209 . 16 2 2 B 13 13 ASP CA C 794 54.581 56.794 -2.213 1
1 1210 . 16 2 2 B 13 13 ASP CB C 794 38.061 39.496 -1.435 1
1 1211 . 16 2 2 B 13 13 ASP N N 794 114.734 118.758 -4.024 1
1 1212 . 16 2 2 B 14 14 LEU H H 795 7.674 7.765 -0.091 1
1 1213 . 16 2 2 B 14 14 LEU HA H 795 4.546 4.262 0.284 1
1 1223 . 16 2 2 B 14 14 LEU CA C 795 53.478 56.441 -2.963 1
1 1224 . 16 2 2 B 14 14 LEU CB C 795 43.597 41.982 1.615 1
1 1228 . 16 2 2 B 14 14 LEU N N 795 116.056 119.722 -3.666 1
1 1229 . 16 2 2 B 15 15 ARG H H 796 7.225 8.288 -1.063 1
1 1230 . 16 2 2 B 15 15 ARG HA H 796 3.809 4.000 -0.191 1
1 1237 . 16 2 2 B 15 15 ARG CA C 796 58.744 59.797 -1.053 1
1 1238 . 16 2 2 B 15 15 ARG CB C 796 30.413 29.864 0.549 1
1 1241 . 16 2 2 B 15 15 ARG N N 796 116.434 119.720 -3.286 1
1 1242 . 16 2 2 B 16 16 HIS HA H 797 4.703 4.223 0.480 1
1 1247 . 16 2 2 B 16 16 HIS CA C 797 55.289 58.865 -3.576 1
1 1248 . 16 2 2 B 16 16 HIS CB C 797 29.538 30.141 -0.603 1
1 1251 . 16 2 2 B 17 17 LEU H H 798 6.982 7.469 -0.487 1
1 1252 . 16 2 2 B 17 17 LEU HA H 798 4.071 4.066 0.005 1
1 1262 . 16 2 2 B 17 17 LEU CA C 798 54.807 55.279 -0.472 1
1 1263 . 16 2 2 B 17 17 LEU CB C 798 42.206 42.246 -0.040 1
1 1267 . 16 2 2 B 17 17 LEU N N 798 120.399 121.004 -0.605 1
1 1268 . 16 2 2 B 18 18 ASN H H 799 8.789 8.618 0.171 1
1 1269 . 16 2 2 B 18 18 ASN HA H 799 4.857 4.829 0.028 1
1 1274 . 16 2 2 B 18 18 ASN CA C 799 52.166 53.142 -0.976 1
1 1275 . 16 2 2 B 18 18 ASN CB C 799 37.842 39.005 -1.163 1
1 1276 . 16 2 2 B 18 18 ASN N N 799 121.343 123.360 -2.017 1
1 1278 . 16 2 2 B 19 19 THR H H 800 8.585 8.569 0.016 1
1 1279 . 16 2 2 B 19 19 THR HA H 800 4.522 4.423 0.099 1
1 1284 . 16 2 2 B 19 19 THR CA C 800 62.143 63.214 -1.071 1
1 1285 . 16 2 2 B 19 19 THR CB C 800 68.865 69.160 -0.295 1
1 1287 . 16 2 2 B 19 19 THR N N 800 115.301 118.097 -2.796 1
1 1288 . 16 2 2 B 20 20 GLU H H 801 8.415 8.642 -0.227 1
1 1289 . 16 2 2 B 20 20 GLU HA H 801 4.337 4.134 0.203 1
1 1294 . 16 2 2 B 20 20 GLU CA C 801 61.496 62.698 -1.202 1
1 1295 . 16 2 2 B 20 20 GLU CB C 801 26.493 27.793 -1.300 1
1 1297 . 16 2 2 B 20 20 GLU N N 801 125.119 122.971 2.148 1
1 1298 . 16 2 2 B 21 21 PRO HA H 802 4.422 4.264 0.158 1
1 1305 . 16 2 2 B 21 21 PRO CA C 802 64.520 65.606 -1.086 1
1 1306 . 16 2 2 B 21 21 PRO CB C 802 31.355 30.457 0.898 1
1 1309 . 16 2 2 B 22 22 MET H H 803 7.303 7.630 -0.327 1
1 1310 . 16 2 2 B 22 22 MET HA H 803 4.062 4.118 -0.056 1
1 1318 . 16 2 2 B 22 22 MET CA C 803 55.686 57.807 -2.121 1
1 1319 . 16 2 2 B 22 22 MET CB C 803 33.481 31.848 1.633 1
1 1322 . 16 2 2 B 22 22 MET N N 803 110.769 115.425 -4.656 1
1 1323 . 16 2 2 B 23 23 GLU H H 804 7.624 7.734 -0.110 1
1 1324 . 16 2 2 B 23 23 GLU HA H 804 3.918 3.954 -0.036 1
1 1329 . 16 2 2 B 23 23 GLU CA C 804 59.221 59.185 0.036 1
1 1330 . 16 2 2 B 23 23 GLU CB C 804 28.993 29.414 -0.421 1
1 1332 . 16 2 2 B 23 23 GLU N N 804 118.699 118.308 0.391 1
1 1333 . 16 2 2 B 24 24 ILE H H 805 6.626 6.702 -0.076 1
1 1334 . 16 2 2 B 24 24 ILE HA H 805 3.999 3.749 0.250 1
1 1344 . 16 2 2 B 24 24 ILE CA C 805 62.734 63.695 -0.961 1
1 1345 . 16 2 2 B 24 24 ILE CB C 805 37.574 36.847 0.727 1
1 1349 . 16 2 2 B 24 24 ILE N N 805 111.524 116.174 -4.650 1
1 1350 . 16 2 2 B 25 25 PHE H H 806 7.515 7.383 0.132 1
1 1351 . 16 2 2 B 25 25 PHE HA H 806 4.524 4.518 0.006 1
1 1358 . 16 2 2 B 25 25 PHE CA C 806 55.760 60.962 -5.202 1
1 1359 . 16 2 2 B 25 25 PHE CB C 806 38.464 38.741 -0.277 1
1 1362 . 16 2 2 B 25 25 PHE N N 806 118.322 120.727 -2.405 1
1 1363 . 16 2 2 B 26 26 ARG H H 807 7.368 7.969 -0.601 1
1 1364 . 16 2 2 B 26 26 ARG HA H 807 4.024 4.153 -0.129 1
1 1371 . 16 2 2 B 26 26 ARG CA C 807 58.864 58.832 0.032 1
1 1372 . 16 2 2 B 26 26 ARG CB C 807 30.872 29.949 0.923 1
1 1375 . 16 2 2 B 26 26 ARG N N 807 118.888 121.595 -2.707 1
1 1376 . 16 2 2 B 27 27 ASN H H 808 8.877 8.195 0.682 1
1 1377 . 16 2 2 B 27 27 ASN HA H 808 4.732 4.988 -0.256 1
1 1382 . 16 2 2 B 27 27 ASN CA C 808 53.413 52.194 1.219 1
1 1383 . 16 2 2 B 27 27 ASN CB C 808 38.244 39.198 -0.954 1
1 1384 . 16 2 2 B 27 27 ASN N N 808 117.000 113.664 3.336 1
1 1386 . 16 2 2 B 28 28 SER H H 809 7.969 7.957 0.012 1
1 1387 . 16 2 2 B 28 28 SER HA H 809 4.440 4.729 -0.289 1
1 1390 . 16 2 2 B 28 28 SER CA C 809 60.606 56.957 3.649 1
1 1391 . 16 2 2 B 28 28 SER CB C 809 64.021 64.267 -0.246 1
1 1392 . 16 2 2 B 28 28 SER N N 809 114.356 112.344 2.012 1
1 1393 . 16 2 2 B 29 29 VAL HA H 810 4.304 4.776 -0.472 1
1 1401 . 16 2 2 B 29 29 VAL CA C 810 60.803 60.563 0.240 1
1 1402 . 16 2 2 B 29 29 VAL CB C 810 34.232 36.601 -2.369 1
1 1405 . 16 2 2 B 30 30 LYS H H 811 8.707 8.547 0.160 1
1 1406 . 16 2 2 B 30 30 LYS HA H 811 4.552 4.744 -0.192 1
1 1415 . 16 2 2 B 30 30 LYS CA C 811 55.058 54.830 0.228 1
1 1416 . 16 2 2 B 30 30 LYS CB C 811 31.782 32.688 -0.906 1
1 1420 . 16 2 2 B 30 30 LYS N N 811 127.196 124.395 2.801 1
1 1421 . 16 2 2 B 31 31 ILE H H 812 8.604 8.284 0.320 1
1 1422 . 16 2 2 B 31 31 ILE HA H 812 3.662 3.664 -0.002 1
1 1432 . 16 2 2 B 31 31 ILE CA C 812 64.066 65.159 -1.093 1
1 1433 . 16 2 2 B 31 31 ILE CB C 812 37.726 37.843 -0.117 1
1 1437 . 16 2 2 B 31 31 ILE N N 812 125.497 124.428 1.069 1
1 1438 . 16 2 2 B 32 32 GLU H H 813 9.330 8.337 0.993 1
1 1439 . 16 2 2 B 32 32 GLU HA H 813 4.162 4.174 -0.012 1
1 1444 . 16 2 2 B 32 32 GLU CA C 813 58.096 58.517 -0.421 1
1 1445 . 16 2 2 B 32 32 GLU CB C 813 28.834 30.151 -1.317 1
1 1447 . 16 2 2 B 32 32 GLU N N 813 118.888 118.233 0.655 1
1 1448 . 16 2 2 B 33 33 GLU H H 814 7.742 7.889 -0.147 1
1 1449 . 16 2 2 B 33 33 GLU HA H 814 4.334 4.419 -0.085 1
1 1454 . 16 2 2 B 33 33 GLU CA C 814 56.441 57.428 -0.987 1
1 1455 . 16 2 2 B 33 33 GLU CB C 814 30.396 30.421 -0.025 1
1 1457 . 16 2 2 B 33 33 GLU N N 814 117.566 117.462 0.104 1
1 1458 . 16 2 2 B 34 34 ILE H H 815 7.598 7.486 0.112 1
1 1459 . 16 2 2 B 34 34 ILE HA H 815 4.216 3.832 0.384 1
1 1469 . 16 2 2 B 34 34 ILE CA C 815 61.047 64.856 -3.809 1
1 1470 . 16 2 2 B 34 34 ILE CB C 815 38.712 38.178 0.534 1
1 1474 . 16 2 2 B 34 34 ILE N N 815 117.566 118.129 -0.563 1
1 1475 . 16 2 2 B 35 35 MET H H 816 8.177 7.635 0.542 1
1 1476 . 16 2 2 B 35 35 MET HA H 816 4.733 4.571 0.162 1
1 1484 . 16 2 2 B 35 35 MET CA C 816 53.461 53.981 -0.520 1
1 1485 . 16 2 2 B 35 35 MET CB C 816 32.025 33.872 -1.847 1
1 1488 . 16 2 2 B 35 35 MET N N 816 122.665 121.333 1.332 1
1 1489 . 16 2 2 B 36 36 PRO HA H 817 4.743 4.432 0.311 1
1 1496 . 16 2 2 B 36 36 PRO CA C 817 62.542 63.655 -1.113 1
1 1497 . 16 2 2 B 36 36 PRO CB C 817 34.328 31.987 2.341 1
1 1500 . 16 2 2 B 37 37 ASN H H 818 8.374 8.091 0.283 1
1 1501 . 16 2 2 B 37 37 ASN HA H 818 4.752 4.437 0.315 1
1 1504 . 16 2 2 B 37 37 ASN CA C 818 52.995 53.888 -0.893 1
1 1505 . 16 2 2 B 37 37 ASN CB C 818 38.705 37.178 1.527 1
1 1506 . 16 2 2 B 37 37 ASN N N 818 117.378 117.327 0.051 1
1 1507 . 16 2 2 B 38 38 GLY H H 819 8.314 8.367 -0.053 1
1 1508 . 16 2 2 B 38 38 GLY HA2 H 819 3.937 4.110 -0.173 1
1 1509 . 16 2 2 B 38 38 GLY HA3 H 819 3.994 4.110 -0.116 1
1 1510 . 16 2 2 B 38 38 GLY CA C 819 45.006 45.653 -0.647 1
1 1511 . 16 2 2 B 38 38 GLY N N 819 108.881 112.154 -3.273 1
1 1512 . 16 2 2 B 39 39 ASP H H 820 8.157 7.742 0.415 1
1 1513 . 16 2 2 B 39 39 ASP HA H 820 4.939 5.017 -0.078 1
1 1516 . 16 2 2 B 39 39 ASP CA C 820 51.896 51.072 0.824 1
1 1517 . 16 2 2 B 39 39 ASP CB C 820 41.672 44.255 -2.583 1
1 1518 . 16 2 2 B 39 39 ASP N N 820 121.154 118.522 2.632 1
1 1519 . 16 2 2 B 40 40 PRO HA H 821 4.483 4.322 0.161 1
1 1526 . 16 2 2 B 40 40 PRO CA C 821 63.351 64.882 -1.531 1
1 1527 . 16 2 2 B 40 40 PRO CB C 821 32.066 32.132 -0.066 1
1 1530 . 16 2 2 B 41 41 LEU H H 822 8.440 7.557 0.883 1
1 1531 . 16 2 2 B 41 41 LEU HA H 822 4.262 4.099 0.163 1
1 1541 . 16 2 2 B 41 41 LEU CA C 822 55.539 56.943 -1.404 1
1 1542 . 16 2 2 B 41 41 LEU CB C 822 41.496 41.365 0.131 1
1 1546 . 16 2 2 B 41 41 LEU N N 822 119.644 116.809 2.835 1
1 1547 . 16 2 2 B 42 42 LEU H H 823 7.863 7.679 0.184 1
1 1548 . 16 2 2 B 42 42 LEU HA H 823 4.353 4.191 0.162 1
1 1558 . 16 2 2 B 42 42 LEU CA C 823 54.598 56.697 -2.099 1
1 1559 . 16 2 2 B 42 42 LEU CB C 823 42.025 42.547 -0.522 1
1 1563 . 16 2 2 B 42 42 LEU N N 823 120.399 120.027 0.372 1
1 1564 . 16 2 2 B 43 43 ALA H H 824 8.022 8.056 -0.034 1
1 1565 . 16 2 2 B 43 43 ALA HA H 824 4.330 3.927 0.403 1
1 1569 . 16 2 2 B 43 43 ALA CA C 824 52.539 53.219 -0.680 1
1 1570 . 16 2 2 B 43 43 ALA CB C 824 19.126 18.019 1.107 1
1 1571 . 16 2 2 B 43 43 ALA N N 824 123.420 120.883 2.537 1
1 1572 . 16 2 2 B 44 44 GLY H H 825 8.346 8.506 -0.160 1
1 1573 . 16 2 2 B 44 44 GLY HA2 H 825 3.973 3.800 0.173 1
1 1574 . 16 2 2 B 44 44 GLY HA3 H 825 3.973 3.809 0.164 1
1 1575 . 16 2 2 B 44 44 GLY CA C 825 45.123 45.657 -0.534 1
1 1576 . 16 2 2 B 44 44 GLY N N 825 107.559 102.577 4.982 1
1 1577 . 16 2 2 B 45 45 GLN H H 826 8.204 8.524 -0.320 1
1 1578 . 16 2 2 B 45 45 GLN HA H 826 4.377 4.388 -0.011 1
1 1585 . 16 2 2 B 45 45 GLN CA C 826 55.686 56.094 -0.408 1
1 1586 . 16 2 2 B 45 45 GLN CB C 826 29.376 31.196 -1.820 1
1 1588 . 16 2 2 B 45 45 GLN N N 826 119.266 119.509 -0.243 1
1 1590 . 16 2 2 B 46 46 ASN H H 827 8.556 8.350 0.206 1
1 1591 . 16 2 2 B 46 46 ASN HA H 827 4.824 4.378 0.446 1
1 1596 . 16 2 2 B 46 46 ASN CA C 827 53.216 54.065 -0.849 1
1 1597 . 16 2 2 B 46 46 ASN CB C 827 38.759 37.160 1.599 1
1 1598 . 16 2 2 B 46 46 ASN N N 827 119.266 117.469 1.797 1
1 1600 . 16 2 2 B 47 47 THR H H 828 8.127 7.768 0.359 1
1 1601 . 16 2 2 B 47 47 THR HA H 828 4.414 4.100 0.314 1
1 1606 . 16 2 2 B 47 47 THR CA C 828 61.564 65.832 -4.268 1
1 1607 . 16 2 2 B 47 47 THR CB C 828 69.507 68.683 0.824 1
1 1609 . 16 2 2 B 47 47 THR N N 828 113.790 114.428 -0.638 1
1 1610 . 16 2 2 B 48 48 VAL H H 829 8.140 7.624 0.516 1
1 1611 . 16 2 2 B 48 48 VAL HA H 829 4.091 3.894 0.197 1
1 1619 . 16 2 2 B 48 48 VAL CA C 829 62.146 61.791 0.355 1
1 1620 . 16 2 2 B 48 48 VAL CB C 829 32.515 30.399 2.116 1
1 1623 . 16 2 2 B 48 48 VAL N N 829 120.776 115.778 4.998 1
1 1624 . 16 2 2 B 49 49 ASP H H 830 8.287 8.734 -0.447 1
1 1625 . 16 2 2 B 49 49 ASP HA H 830 4.617 5.073 -0.456 1
1 1628 . 16 2 2 B 49 49 ASP CA C 830 54.308 55.729 -1.421 1
1 1629 . 16 2 2 B 49 49 ASP CB C 830 41.241 43.877 -2.636 1
1 1630 . 16 2 2 B 49 49 ASP N N 830 123.042 122.765 0.277 1
1 1631 . 16 2 2 B 50 50 GLU H H 831 8.242 8.197 0.045 1
1 1632 . 16 2 2 B 50 50 GLU HA H 831 4.261 4.713 -0.452 1
1 1637 . 16 2 2 B 50 50 GLU CA C 831 56.521 55.492 1.029 1
1 1638 . 16 2 2 B 50 50 GLU CB C 831 30.209 30.672 -0.463 1
1 1640 . 16 2 2 B 50 50 GLU N N 831 120.776 118.462 2.314 1
1 1641 . 16 2 2 B 51 51 VAL H H 832 8.044 8.120 -0.076 1
1 1642 . 16 2 2 B 51 51 VAL HA H 832 3.988 4.465 -0.477 1
1 1650 . 16 2 2 B 51 51 VAL CA C 832 62.472 63.462 -0.990 1
1 1651 . 16 2 2 B 51 51 VAL CB C 832 32.278 34.300 -2.022 1
1 1654 . 16 2 2 B 51 51 VAL N N 832 120.021 120.164 -0.143 1
1 1655 . 16 2 2 B 52 52 TYR H H 833 8.148 8.658 -0.510 1
1 1656 . 16 2 2 B 52 52 TYR HA H 833 4.598 4.474 0.124 1
1 1663 . 16 2 2 B 52 52 TYR CA C 833 57.743 58.866 -1.123 1
1 1664 . 16 2 2 B 52 52 TYR CB C 833 38.702 36.991 1.711 1
1 1667 . 16 2 2 B 52 52 TYR N N 833 122.854 121.967 0.887 1
1 1668 . 16 2 2 B 53 53 VAL H H 834 7.868 7.500 0.368 1
1 1669 . 16 2 2 B 53 53 VAL HA H 834 4.114 3.678 0.436 1
1 1677 . 16 2 2 B 53 53 VAL CA C 834 61.508 60.977 0.531 1
1 1678 . 16 2 2 B 53 53 VAL CB C 834 33.010 30.672 2.338 1
1 1681 . 16 2 2 B 53 53 VAL N N 834 121.721 116.962 4.759 1
1 1682 . 16 2 2 B 54 54 SER H H 835 8.237 7.984 0.253 1
1 1683 . 16 2 2 B 54 54 SER HA H 835 4.422 4.061 0.361 1
1 1686 . 16 2 2 B 54 54 SER CA C 835 57.823 60.543 -2.720 1
1 1687 . 16 2 2 B 54 54 SER CB C 835 63.437 61.535 1.902 1
1 1688 . 16 2 2 B 54 54 SER N N 835 119.077 112.645 6.432 1
1 1689 . 16 2 2 B 55 55 ARG H H 836 8.284 7.620 0.664 1
1 1690 . 16 2 2 B 55 55 ARG HA H 836 4.701 4.711 -0.010 1
1 1697 . 16 2 2 B 55 55 ARG CA C 836 53.601 53.456 0.145 1
1 1698 . 16 2 2 B 55 55 ARG CB C 836 30.394 32.806 -2.412 1
1 1701 . 16 2 2 B 55 55 ARG N N 836 123.798 120.948 2.850 1
1 1702 . 16 2 2 B 56 56 PRO HA H 837 4.485 5.032 -0.547 1
1 1709 . 16 2 2 B 56 56 PRO CA C 837 63.351 62.931 0.420 1
1 1710 . 16 2 2 B 56 56 PRO CB C 837 31.795 33.754 -1.959 1
1 7 . 17 1 1 A 2 2 THR HA H 341 4.462 4.121 0.341 1
1 12 . 17 1 1 A 2 2 THR CA C 341 61.936 64.074 -2.138 1
1 13 . 17 1 1 A 2 2 THR CB C 341 69.770 68.847 0.923 1
1 15 . 17 1 1 A 3 3 GLY HA2 H 342 4.141 4.287 -0.146 1
1 16 . 17 1 1 A 3 3 GLY HA3 H 342 4.238 4.288 -0.050 1
1 17 . 17 1 1 A 3 3 GLY CA C 342 44.424 45.852 -1.428 1
1 18 . 17 1 1 A 4 4 PRO HA H 343 4.567 4.400 0.167 1
1 25 . 17 1 1 A 4 4 PRO CA C 343 63.088 64.780 -1.692 1
1 26 . 17 1 1 A 4 4 PRO CB C 343 32.443 32.004 0.439 1
1 29 . 17 1 1 A 5 5 THR H H 344 8.284 8.166 0.118 1
1 30 . 17 1 1 A 5 5 THR HA H 344 4.342 4.218 0.124 1
1 35 . 17 1 1 A 5 5 THR CA C 344 61.936 63.288 -1.352 1
1 36 . 17 1 1 A 5 5 THR CB C 344 69.539 68.899 0.640 1
1 38 . 17 1 1 A 5 5 THR N N 344 113.968 110.239 3.729 1
1 39 . 17 1 1 A 6 6 ALA H H 345 8.269 7.753 0.516 1
1 40 . 17 1 1 A 6 6 ALA HA H 345 4.434 4.469 -0.035 1
1 44 . 17 1 1 A 6 6 ALA CA C 345 52.028 52.411 -0.383 1
1 45 . 17 1 1 A 6 6 ALA CB C 345 19.771 21.302 -1.531 1
1 46 . 17 1 1 A 6 6 ALA N N 345 126.619 122.891 3.728 1
1 47 . 17 1 1 A 7 7 ASP H H 346 8.454 8.131 0.323 1
1 48 . 17 1 1 A 7 7 ASP HA H 346 4.917 4.320 0.597 1
1 51 . 17 1 1 A 7 7 ASP CA C 346 52.719 54.770 -2.051 1
1 52 . 17 1 1 A 7 7 ASP CB C 346 41.659 39.282 2.377 1
1 53 . 17 1 1 A 7 7 ASP N N 346 120.766 117.484 3.282 1
1 54 . 17 1 1 A 8 8 PRO HA H 347 4.398 4.364 0.034 1
1 61 . 17 1 1 A 8 8 PRO CA C 347 64.931 65.582 -0.651 1
1 62 . 17 1 1 A 8 8 PRO CB C 347 32.388 31.821 0.567 1
1 65 . 17 1 1 A 9 9 GLU H H 348 8.113 8.245 -0.132 1
1 66 . 17 1 1 A 9 9 GLU HA H 348 4.154 4.105 0.049 1
1 71 . 17 1 1 A 9 9 GLU CB C 348 30.138 29.212 0.926 1
1 73 . 17 1 1 A 9 9 GLU N N 348 116.423 118.033 -1.610 1
1 74 . 17 1 1 A 10 10 LYS H H 349 7.699 7.648 0.051 1
1 75 . 17 1 1 A 10 10 LYS HA H 349 3.982 4.033 -0.051 1
1 84 . 17 1 1 A 10 10 LYS CA C 349 60.092 59.473 0.619 1
1 85 . 17 1 1 A 10 10 LYS CB C 349 32.558 32.015 0.543 1
1 89 . 17 1 1 A 10 10 LYS N N 349 119.255 119.329 -0.074 1
1 90 . 17 1 1 A 11 11 ARG H H 350 7.845 8.137 -0.292 1
1 91 . 17 1 1 A 11 11 ARG HA H 350 3.656 3.919 -0.263 1
1 98 . 17 1 1 A 11 11 ARG CA C 350 60.092 59.228 0.864 1
1 99 . 17 1 1 A 11 11 ARG CB C 350 28.295 29.845 -1.550 1
1 102 . 17 1 1 A 11 11 ARG N N 350 117.178 119.544 -2.366 1
1 103 . 17 1 1 A 12 12 LYS H H 351 7.888 7.228 0.660 1
1 104 . 17 1 1 A 12 12 LYS HA H 351 4.198 4.232 -0.034 1
1 109 . 17 1 1 A 12 12 LYS CA C 351 59.631 59.357 0.274 1
1 110 . 17 1 1 A 12 12 LYS CB C 351 32.673 32.174 0.499 1
1 112 . 17 1 1 A 12 12 LYS N N 351 117.745 118.119 -0.374 1
1 113 . 17 1 1 A 13 13 LEU H H 352 7.696 8.072 -0.376 1
1 114 . 17 1 1 A 13 13 LEU HA H 352 4.259 4.022 0.237 1
1 124 . 17 1 1 A 13 13 LEU CA C 352 58.019 57.894 0.125 1
1 125 . 17 1 1 A 13 13 LEU CB C 352 42.120 41.622 0.498 1
1 129 . 17 1 1 A 13 13 LEU N N 352 119.444 120.046 -0.602 1
1 130 . 17 1 1 A 14 14 ILE H H 353 7.831 7.475 0.356 1
1 131 . 17 1 1 A 14 14 ILE HA H 353 3.648 3.788 -0.140 1
1 141 . 17 1 1 A 14 14 ILE CA C 353 65.392 64.217 1.175 1
1 142 . 17 1 1 A 14 14 ILE CB C 353 38.203 37.464 0.739 1
1 146 . 17 1 1 A 14 14 ILE N N 353 118.311 115.731 2.580 1
1 147 . 17 1 1 A 15 15 GLN H H 354 8.178 7.856 0.322 1
1 148 . 17 1 1 A 15 15 GLN HA H 354 3.791 3.885 -0.094 1
1 155 . 17 1 1 A 15 15 GLN CA C 354 59.631 59.055 0.576 1
1 156 . 17 1 1 A 15 15 GLN CB C 354 30.369 28.314 2.055 1
1 158 . 17 1 1 A 15 15 GLN N N 354 116.423 121.059 -4.636 1
1 160 . 17 1 1 A 16 16 GLN H H 355 8.192 8.053 0.139 1
1 161 . 17 1 1 A 16 16 GLN HA H 355 3.799 4.052 -0.253 1
1 168 . 17 1 1 A 16 16 GLN CA C 355 59.171 58.971 0.200 1
1 169 . 17 1 1 A 16 16 GLN CB C 355 28.986 28.591 0.395 1
1 171 . 17 1 1 A 16 16 GLN N N 355 117.178 118.954 -1.776 1
1 173 . 17 1 1 A 17 17 GLN H H 356 7.970 7.605 0.365 1
1 174 . 17 1 1 A 17 17 GLN HA H 356 3.136 4.008 -0.872 1
1 181 . 17 1 1 A 17 17 GLN CA C 356 60.323 58.599 1.724 1
1 182 . 17 1 1 A 17 17 GLN CB C 356 27.143 28.175 -1.032 1
1 184 . 17 1 1 A 17 17 GLN N N 356 118.311 119.618 -1.307 1
1 186 . 17 1 1 A 18 18 LEU H H 357 8.408 8.021 0.387 1
1 187 . 17 1 1 A 18 18 LEU HA H 357 3.863 3.981 -0.118 1
1 197 . 17 1 1 A 18 18 LEU CA C 357 58.710 58.304 0.406 1
1 198 . 17 1 1 A 18 18 LEU CB C 357 40.968 41.770 -0.802 1
1 202 . 17 1 1 A 18 18 LEU N N 357 117.934 121.119 -3.185 1
1 203 . 17 1 1 A 19 19 VAL H H 358 8.544 8.207 0.337 1
1 204 . 17 1 1 A 19 19 VAL HA H 358 3.479 3.422 0.057 1
1 212 . 17 1 1 A 19 19 VAL CA C 358 66.544 66.853 -0.309 1
1 213 . 17 1 1 A 19 19 VAL CB C 358 31.060 31.233 -0.173 1
1 216 . 17 1 1 A 19 19 VAL N N 358 116.423 119.124 -2.701 1
1 217 . 17 1 1 A 20 20 LEU H H 359 7.820 7.971 -0.151 1
1 218 . 17 1 1 A 20 20 LEU HA H 359 3.952 3.949 0.003 1
1 228 . 17 1 1 A 20 20 LEU CA C 359 58.019 58.059 -0.040 1
1 229 . 17 1 1 A 20 20 LEU CB C 359 42.696 41.179 1.517 1
1 233 . 17 1 1 A 20 20 LEU N N 359 120.955 120.160 0.795 1
1 234 . 17 1 1 A 21 21 LEU H H 360 8.278 8.029 0.249 1
1 235 . 17 1 1 A 21 21 LEU HA H 360 3.868 4.068 -0.200 1
1 245 . 17 1 1 A 21 21 LEU CA C 360 58.710 57.890 0.820 1
1 246 . 17 1 1 A 21 21 LEU CB C 360 42.811 41.591 1.220 1
1 250 . 17 1 1 A 21 21 LEU N N 360 121.144 119.248 1.896 1
1 251 . 17 1 1 A 22 22 LEU H H 361 8.331 8.188 0.143 1
1 252 . 17 1 1 A 22 22 LEU HA H 361 3.919 3.918 0.001 1
1 262 . 17 1 1 A 22 22 LEU CA C 361 57.788 58.004 -0.216 1
1 263 . 17 1 1 A 22 22 LEU CB C 361 41.083 41.513 -0.430 1
1 267 . 17 1 1 A 22 22 LEU N N 361 118.500 117.820 0.680 1
1 268 . 17 1 1 A 23 23 HIS H H 362 8.620 8.395 0.225 1
1 269 . 17 1 1 A 23 23 HIS HA H 362 4.114 4.250 -0.136 1
1 274 . 17 1 1 A 23 23 HIS CA C 362 60.323 59.618 0.705 1
1 275 . 17 1 1 A 23 23 HIS CB C 362 27.834 29.765 -1.931 1
1 278 . 17 1 1 A 23 23 HIS N N 362 117.934 117.990 -0.056 1
1 279 . 17 1 1 A 24 24 ALA H H 363 9.049 8.437 0.612 1
1 280 . 17 1 1 A 24 24 ALA HA H 363 3.954 4.017 -0.063 1
1 284 . 17 1 1 A 24 24 ALA CA C 363 55.253 55.172 0.081 1
1 285 . 17 1 1 A 24 24 ALA CB C 363 19.079 17.994 1.085 1
1 286 . 17 1 1 A 24 24 ALA N N 363 121.710 120.611 1.099 1
1 287 . 17 1 1 A 25 25 HIS H H 364 7.955 7.772 0.183 1
1 288 . 17 1 1 A 25 25 HIS HA H 364 4.130 4.303 -0.173 1
1 293 . 17 1 1 A 25 25 HIS CA C 364 60.092 59.233 0.859 1
1 294 . 17 1 1 A 25 25 HIS CB C 364 31.060 29.664 1.396 1
1 297 . 17 1 1 A 25 25 HIS N N 364 115.856 117.527 -1.671 1
1 298 . 17 1 1 A 26 26 LYS H H 365 7.053 7.897 -0.844 1
1 299 . 17 1 1 A 26 26 LYS HA H 365 4.014 3.939 0.075 1
1 302 . 17 1 1 A 26 26 LYS CA C 365 57.788 59.388 -1.600 1
1 303 . 17 1 1 A 26 26 LYS CB C 365 32.903 32.035 0.868 1
1 304 . 17 1 1 A 26 26 LYS N N 365 117.178 117.319 -0.141 1
1 305 . 17 1 1 A 27 27 CYS H H 366 8.592 7.910 0.682 1
1 306 . 17 1 1 A 27 27 CYS HA H 366 3.741 4.076 -0.335 1
1 309 . 17 1 1 A 27 27 CYS CA C 366 62.396 62.089 0.307 1
1 310 . 17 1 1 A 27 27 CYS CB C 366 29.678 26.959 2.719 1
1 311 . 17 1 1 A 27 27 CYS N N 366 123.976 119.388 4.588 1
1 312 . 17 1 1 A 28 28 GLN H H 367 8.349 8.397 -0.048 1
1 313 . 17 1 1 A 28 28 GLN HA H 367 4.283 3.920 0.363 1
1 320 . 17 1 1 A 28 28 GLN CA C 367 57.327 59.249 -1.922 1
1 321 . 17 1 1 A 28 28 GLN CB C 367 29.217 28.373 0.844 1
1 323 . 17 1 1 A 28 28 GLN N N 367 119.444 120.058 -0.614 1
1 325 . 17 1 1 A 29 29 ARG H H 368 7.635 7.861 -0.226 1
1 326 . 17 1 1 A 29 29 ARG HA H 368 4.169 4.061 0.108 1
1 333 . 17 1 1 A 29 29 ARG CA C 368 57.558 58.692 -1.134 1
1 334 . 17 1 1 A 29 29 ARG CB C 368 29.908 29.856 0.052 1
1 337 . 17 1 1 A 29 29 ARG N N 368 119.444 118.453 0.991 1
1 338 . 17 1 1 A 30 30 ARG H H 369 8.018 7.954 0.064 1
1 339 . 17 1 1 A 30 30 ARG HA H 369 4.260 4.073 0.187 1
1 346 . 17 1 1 A 30 30 ARG CA C 369 57.558 59.131 -1.573 1
1 347 . 17 1 1 A 30 30 ARG CB C 369 30.599 29.886 0.713 1
1 350 . 17 1 1 A 30 30 ARG N N 369 120.388 119.120 1.268 1
1 351 . 17 1 1 A 31 31 GLU H H 370 8.208 8.367 -0.159 1
1 352 . 17 1 1 A 31 31 GLU HA H 370 4.236 4.147 0.089 1
1 357 . 17 1 1 A 31 31 GLU CA C 370 57.788 59.102 -1.314 1
1 358 . 17 1 1 A 31 31 GLU CB C 370 30.369 29.236 1.133 1
1 360 . 17 1 1 A 31 31 GLU N N 370 120.388 119.305 1.083 1
1 361 . 17 1 1 A 32 32 GLN H H 371 8.165 7.884 0.281 1
1 362 . 17 1 1 A 32 32 GLN HA H 371 4.313 4.217 0.096 1
1 367 . 17 1 1 A 32 32 GLN CA C 371 56.636 58.065 -1.429 1
1 368 . 17 1 1 A 32 32 GLN CB C 371 29.217 29.792 -0.575 1
1 370 . 17 1 1 A 32 32 GLN N N 371 118.878 118.400 0.478 1
1 371 . 17 1 1 A 33 33 ALA H H 372 8.095 7.788 0.307 1
1 372 . 17 1 1 A 33 33 ALA HA H 372 4.327 4.121 0.206 1
1 376 . 17 1 1 A 33 33 ALA CA C 372 53.180 53.830 -0.650 1
1 377 . 17 1 1 A 33 33 ALA CB C 372 19.079 18.525 0.554 1
1 378 . 17 1 1 A 33 33 ALA N N 372 123.032 121.971 1.061 1
1 379 . 17 1 1 A 34 34 ASN H H 373 8.186 8.208 -0.022 1
1 380 . 17 1 1 A 34 34 ASN HA H 373 4.735 4.981 -0.246 1
1 383 . 17 1 1 A 34 34 ASN CA C 373 53.410 54.844 -1.434 1
1 384 . 17 1 1 A 34 34 ASN CB C 373 38.894 41.274 -2.380 1
1 385 . 17 1 1 A 34 34 ASN N N 373 115.479 115.390 0.089 1
1 386 . 17 1 1 A 35 35 GLY H H 374 8.266 7.995 0.271 1
1 387 . 17 1 1 A 35 35 GLY HA2 H 374 3.943 3.966 -0.023 1
1 388 . 17 1 1 A 35 35 GLY HA3 H 374 4.044 3.967 0.077 1
1 389 . 17 1 1 A 35 35 GLY CA C 374 45.576 45.435 0.141 1
1 390 . 17 1 1 A 35 35 GLY N N 374 108.492 107.424 1.068 1
1 391 . 17 1 1 A 36 36 GLU H H 375 8.132 8.179 -0.047 1
1 392 . 17 1 1 A 36 36 GLU HA H 375 4.368 4.521 -0.153 1
1 397 . 17 1 1 A 36 36 GLU CA C 375 55.945 55.594 0.351 1
1 398 . 17 1 1 A 36 36 GLU CB C 375 30.369 30.876 -0.507 1
1 400 . 17 1 1 A 36 36 GLU N N 375 119.822 117.884 1.938 1
1 401 . 17 1 1 A 37 37 VAL H H 376 8.132 7.679 0.453 1
1 402 . 17 1 1 A 37 37 VAL HA H 376 4.139 4.673 -0.534 1
1 410 . 17 1 1 A 37 37 VAL CA C 376 62.166 60.630 1.536 1
1 411 . 17 1 1 A 37 37 VAL CB C 376 32.673 35.398 -2.725 1
1 414 . 17 1 1 A 37 37 VAL N N 376 121.144 120.192 0.952 1
1 415 . 17 1 1 A 38 38 ARG H H 377 8.455 8.883 -0.428 1
1 416 . 17 1 1 A 38 38 ARG HA H 377 4.392 4.697 -0.305 1
1 423 . 17 1 1 A 38 38 ARG CA C 377 55.253 56.393 -1.140 1
1 424 . 17 1 1 A 38 38 ARG CB C 377 31.060 32.922 -1.862 1
1 427 . 17 1 1 A 38 38 ARG N N 377 125.109 125.709 -0.600 1
1 428 . 17 1 1 A 39 39 ALA H H 378 8.384 7.564 0.820 1
1 429 . 17 1 1 A 39 39 ALA HA H 378 4.287 4.533 -0.246 1
1 433 . 17 1 1 A 39 39 ALA CA C 378 52.028 51.481 0.547 1
1 434 . 17 1 1 A 39 39 ALA CB C 378 19.540 22.821 -3.281 1
1 435 . 17 1 1 A 39 39 ALA N N 378 126.053 117.079 8.974 1
1 436 . 17 1 1 A 40 40 CYS H H 379 8.480 8.767 -0.287 1
1 437 . 17 1 1 A 40 40 CYS HA H 379 4.344 4.521 -0.177 1
1 440 . 17 1 1 A 40 40 CYS CA C 379 60.092 59.754 0.338 1
1 441 . 17 1 1 A 40 40 CYS CB C 379 30.138 28.046 2.092 1
1 442 . 17 1 1 A 40 40 CYS N N 379 123.787 118.090 5.697 1
1 443 . 17 1 1 A 41 41 SER HA H 380 4.588 4.660 -0.072 1
1 446 . 17 1 1 A 41 41 SER CA C 380 57.788 57.614 0.174 1
1 447 . 17 1 1 A 41 41 SER CB C 380 63.779 65.112 -1.333 1
1 448 . 17 1 1 A 42 42 LEU H H 381 8.642 6.825 1.817 1
1 449 . 17 1 1 A 42 42 LEU HA H 381 4.488 4.294 0.194 1
1 459 . 17 1 1 A 42 42 LEU CA C 381 53.871 53.630 0.241 1
1 460 . 17 1 1 A 42 42 LEU CB C 381 41.659 42.464 -0.805 1
1 464 . 17 1 1 A 42 42 LEU N N 381 129.074 124.133 4.941 1
1 465 . 17 1 1 A 43 43 PRO HA H 382 4.095 4.112 -0.017 1
1 472 . 17 1 1 A 43 43 PRO CA C 382 64.470 64.886 -0.416 1
1 473 . 17 1 1 A 43 43 PRO CB C 382 31.751 31.587 0.164 1
1 476 . 17 1 1 A 44 44 HIS H H 383 8.014 8.077 -0.063 1
1 477 . 17 1 1 A 44 44 HIS HA H 383 4.527 4.954 -0.427 1
1 482 . 17 1 1 A 44 44 HIS CA C 383 58.249 55.100 3.149 1
1 483 . 17 1 1 A 44 44 HIS CB C 383 30.369 30.247 0.122 1
1 486 . 17 1 1 A 44 44 HIS N N 383 110.569 113.502 -2.933 1
1 487 . 17 1 1 A 45 45 CYS H H 384 7.729 7.900 -0.171 1
1 488 . 17 1 1 A 45 45 CYS HA H 384 4.023 3.920 0.103 1
1 491 . 17 1 1 A 45 45 CYS CA C 384 64.470 62.670 1.800 1
1 492 . 17 1 1 A 45 45 CYS CB C 384 28.756 26.607 2.149 1
1 493 . 17 1 1 A 45 45 CYS N N 384 124.165 120.789 3.376 1
1 494 . 17 1 1 A 46 46 ARG H H 385 8.239 8.056 0.183 1
1 495 . 17 1 1 A 46 46 ARG HA H 385 3.978 4.099 -0.121 1
1 502 . 17 1 1 A 46 46 ARG CA C 385 59.401 58.856 0.545 1
1 503 . 17 1 1 A 46 46 ARG CB C 385 28.986 29.754 -0.768 1
1 506 . 17 1 1 A 46 46 ARG N N 385 116.612 119.546 -2.934 1
1 507 . 17 1 1 A 47 47 THR H H 386 7.496 8.117 -0.621 1
1 508 . 17 1 1 A 47 47 THR HA H 386 4.008 3.904 0.104 1
1 513 . 17 1 1 A 47 47 THR CA C 386 65.853 66.922 -1.069 1
1 514 . 17 1 1 A 47 47 THR CB C 386 68.387 68.518 -0.131 1
1 516 . 17 1 1 A 47 47 THR N N 386 114.346 116.386 -2.040 1
1 517 . 17 1 1 A 48 48 MET H H 387 8.216 8.199 0.017 1
1 518 . 17 1 1 A 48 48 MET HA H 387 4.622 4.059 0.563 1
1 526 . 17 1 1 A 48 48 MET CA C 387 56.636 59.160 -2.524 1
1 527 . 17 1 1 A 48 48 MET CB C 387 31.291 32.912 -1.621 1
1 530 . 17 1 1 A 48 48 MET N N 387 119.444 118.365 1.079 1
1 531 . 17 1 1 A 49 49 LYS H H 388 9.306 8.172 1.134 1
1 532 . 17 1 1 A 49 49 LYS HA H 388 3.923 3.936 -0.013 1
1 541 . 17 1 1 A 49 49 LYS CA C 388 61.244 60.197 1.047 1
1 542 . 17 1 1 A 49 49 LYS CB C 388 32.903 32.184 0.719 1
1 546 . 17 1 1 A 49 49 LYS N N 388 122.276 117.735 4.541 1
1 547 . 17 1 1 A 50 50 ASN H H 389 8.069 8.113 -0.044 1
1 548 . 17 1 1 A 50 50 ASN HA H 389 4.629 4.612 0.017 1
1 553 . 17 1 1 A 50 50 ASN CA C 389 56.175 56.198 -0.023 1
1 554 . 17 1 1 A 50 50 ASN CB C 389 37.512 38.514 -1.002 1
1 555 . 17 1 1 A 50 50 ASN N N 389 117.178 117.882 -0.704 1
1 557 . 17 1 1 A 51 51 VAL H H 390 8.116 7.697 0.419 1
1 558 . 17 1 1 A 51 51 VAL HA H 390 3.803 3.683 0.120 1
1 566 . 17 1 1 A 51 51 VAL CA C 390 67.235 66.507 0.728 1
1 567 . 17 1 1 A 51 51 VAL CB C 390 31.751 31.471 0.280 1
1 570 . 17 1 1 A 51 51 VAL N N 390 123.598 120.019 3.579 1
1 571 . 17 1 1 A 52 52 LEU H H 391 8.735 8.677 0.058 1
1 572 . 17 1 1 A 52 52 LEU HA H 391 4.123 3.996 0.127 1
1 582 . 17 1 1 A 52 52 LEU CA C 391 58.479 58.334 0.145 1
1 583 . 17 1 1 A 52 52 LEU CB C 391 41.659 41.521 0.138 1
1 587 . 17 1 1 A 52 52 LEU N N 391 120.955 119.777 1.178 1
1 588 . 17 1 1 A 53 53 ASN H H 392 8.231 8.649 -0.418 1
1 589 . 17 1 1 A 53 53 ASN HA H 392 4.561 4.426 0.135 1
1 594 . 17 1 1 A 53 53 ASN CA C 392 56.175 56.508 -0.333 1
1 595 . 17 1 1 A 53 53 ASN CB C 392 38.433 39.015 -0.582 1
1 596 . 17 1 1 A 53 53 ASN N N 392 116.801 117.348 -0.547 1
1 598 . 17 1 1 A 54 54 HIS H H 393 8.049 8.116 -0.067 1
1 599 . 17 1 1 A 54 54 HIS HA H 393 4.418 4.309 0.109 1
1 604 . 17 1 1 A 54 54 HIS CA C 393 59.401 60.118 -0.717 1
1 605 . 17 1 1 A 54 54 HIS CB C 393 27.604 30.125 -2.521 1
1 608 . 17 1 1 A 54 54 HIS N N 393 120.011 119.533 0.478 1
1 609 . 17 1 1 A 55 55 MET H H 394 9.118 8.675 0.443 1
1 610 . 17 1 1 A 55 55 MET HA H 394 3.704 3.990 -0.286 1
1 618 . 17 1 1 A 55 55 MET CA C 394 59.401 58.484 0.917 1
1 619 . 17 1 1 A 55 55 MET CB C 394 34.286 32.447 1.839 1
1 622 . 17 1 1 A 55 55 MET N N 394 119.066 116.799 2.267 1
1 623 . 17 1 1 A 56 56 THR H H 395 7.521 7.716 -0.195 1
1 624 . 17 1 1 A 56 56 THR HA H 395 3.915 4.097 -0.182 1
1 629 . 17 1 1 A 56 56 THR CA C 395 65.392 64.639 0.753 1
1 630 . 17 1 1 A 56 56 THR CB C 395 69.309 68.263 1.046 1
1 632 . 17 1 1 A 56 56 THR N N 395 110.758 114.998 -4.240 1
1 633 . 17 1 1 A 57 57 HIS H H 396 7.023 7.776 -0.753 1
1 634 . 17 1 1 A 57 57 HIS HA H 396 4.846 4.734 0.112 1
1 639 . 17 1 1 A 57 57 HIS CA C 396 55.023 56.210 -1.187 1
1 640 . 17 1 1 A 57 57 HIS CB C 396 30.830 31.390 -0.560 1
1 643 . 17 1 1 A 57 57 HIS N N 396 115.668 115.605 0.063 1
1 644 . 17 1 1 A 58 58 CYS H H 397 7.134 7.542 -0.408 1
1 645 . 17 1 1 A 58 58 CYS HA H 397 4.048 4.225 -0.177 1
1 648 . 17 1 1 A 58 58 CYS CA C 397 60.784 60.037 0.747 1
1 649 . 17 1 1 A 58 58 CYS CB C 397 29.678 27.822 1.856 1
1 650 . 17 1 1 A 58 58 CYS N N 397 123.598 118.752 4.846 1
1 651 . 17 1 1 A 59 59 GLN HA H 398 4.710 4.713 -0.003 1
1 656 . 17 1 1 A 59 59 GLN CA C 398 55.023 55.571 -0.548 1
1 657 . 17 1 1 A 59 59 GLN CB C 398 29.678 29.861 -0.183 1
1 659 . 17 1 1 A 60 60 ALA H H 399 8.689 7.402 1.287 1
1 660 . 17 1 1 A 60 60 ALA HA H 399 4.414 4.280 0.134 1
1 664 . 17 1 1 A 60 60 ALA CA C 399 52.949 51.995 0.954 1
1 665 . 17 1 1 A 60 60 ALA CB C 399 20.001 19.136 0.865 1
1 666 . 17 1 1 A 60 60 ALA N N 399 124.731 123.006 1.725 1
1 667 . 17 1 1 A 61 61 GLY H H 400 8.166 8.344 -0.178 1
1 668 . 17 1 1 A 61 61 GLY HA2 H 400 3.621 3.860 -0.239 1
1 669 . 17 1 1 A 61 61 GLY HA3 H 400 3.976 3.864 0.112 1
1 670 . 17 1 1 A 61 61 GLY CA C 400 46.267 47.178 -0.911 1
1 671 . 17 1 1 A 61 61 GLY N N 400 107.926 107.604 0.322 1
1 672 . 17 1 1 A 62 62 LYS HA H 401 4.138 4.223 -0.085 1
1 673 . 17 1 1 A 62 62 LYS CA C 401 58.479 57.853 0.626 1
1 674 . 17 1 1 A 63 63 ALA H H 402 7.671 7.868 -0.197 1
1 675 . 17 1 1 A 63 63 ALA HA H 402 4.448 4.522 -0.074 1
1 679 . 17 1 1 A 63 63 ALA CA C 402 51.336 51.273 0.063 1
1 680 . 17 1 1 A 63 63 ALA CB C 402 19.079 20.299 -1.220 1
1 681 . 17 1 1 A 63 63 ALA N N 402 119.444 120.918 -1.474 1
1 682 . 17 1 1 A 64 64 CYS H H 403 7.497 7.637 -0.140 1
1 683 . 17 1 1 A 64 64 CYS HA H 403 3.857 4.344 -0.487 1
1 686 . 17 1 1 A 64 64 CYS CA C 403 62.396 59.640 2.756 1
1 687 . 17 1 1 A 64 64 CYS CB C 403 29.908 28.441 1.467 1
1 688 . 17 1 1 A 64 64 CYS N N 403 121.899 118.483 3.416 1
1 689 . 17 1 1 A 65 65 GLN H H 404 9.025 8.785 0.240 1
1 690 . 17 1 1 A 65 65 GLN HA H 404 4.463 4.104 0.359 1
1 697 . 17 1 1 A 65 65 GLN CA C 404 55.673 57.613 -1.940 1
1 698 . 17 1 1 A 65 65 GLN CB C 404 29.332 28.377 0.955 1
1 700 . 17 1 1 A 65 65 GLN N N 404 128.885 123.226 5.659 1
1 702 . 17 1 1 A 66 66 VAL H H 405 9.337 7.330 2.007 1
1 703 . 17 1 1 A 66 66 VAL HA H 405 3.631 4.148 -0.517 1
1 711 . 17 1 1 A 66 66 VAL CA C 405 64.240 62.636 1.604 1
1 712 . 17 1 1 A 66 66 VAL CB C 405 30.830 31.097 -0.267 1
1 715 . 17 1 1 A 66 66 VAL N N 405 127.752 122.234 5.518 1
1 716 . 17 1 1 A 67 67 ALA H H 406 8.581 8.717 -0.136 1
1 717 . 17 1 1 A 67 67 ALA HA H 406 3.761 3.911 -0.150 1
1 721 . 17 1 1 A 67 67 ALA CA C 406 54.101 55.391 -1.290 1
1 722 . 17 1 1 A 67 67 ALA CB C 406 17.467 18.144 -0.677 1
1 723 . 17 1 1 A 67 67 ALA N N 406 133.983 130.519 3.464 1
1 724 . 17 1 1 A 68 68 HIS H H 407 8.099 7.631 0.468 1
1 725 . 17 1 1 A 68 68 HIS HA H 407 4.407 4.375 0.032 1
1 730 . 17 1 1 A 68 68 HIS CA C 407 57.327 58.770 -1.443 1
1 731 . 17 1 1 A 68 68 HIS CB C 407 29.447 29.349 0.098 1
1 734 . 17 1 1 A 68 68 HIS N N 407 110.569 115.255 -4.686 1
1 735 . 17 1 1 A 69 69 CYS H H 408 8.086 7.771 0.315 1
1 736 . 17 1 1 A 69 69 CYS HA H 408 4.163 4.059 0.104 1
1 739 . 17 1 1 A 69 69 CYS CA C 408 64.240 62.518 1.722 1
1 740 . 17 1 1 A 69 69 CYS CB C 408 29.908 26.893 3.015 1
1 741 . 17 1 1 A 69 69 CYS N N 408 126.619 118.800 7.819 1
1 742 . 17 1 1 A 70 70 ALA H H 409 8.728 7.544 1.184 1
1 743 . 17 1 1 A 70 70 ALA HA H 409 4.333 4.043 0.290 1
1 747 . 17 1 1 A 70 70 ALA CA C 409 55.253 55.427 -0.174 1
1 748 . 17 1 1 A 70 70 ALA CB C 409 17.697 18.002 -0.305 1
1 749 . 17 1 1 A 70 70 ALA N N 409 118.689 122.879 -4.190 1
1 750 . 17 1 1 A 71 71 SER H H 410 9.179 8.107 1.072 1
1 751 . 17 1 1 A 71 71 SER HA H 410 4.138 4.085 0.053 1
1 754 . 17 1 1 A 71 71 SER CA C 410 60.323 61.900 -1.577 1
1 755 . 17 1 1 A 71 71 SER CB C 410 61.244 62.874 -1.630 1
1 756 . 17 1 1 A 71 71 SER N N 410 114.535 113.918 0.617 1
1 757 . 17 1 1 A 72 72 SER H H 411 7.937 8.298 -0.361 1
1 758 . 17 1 1 A 72 72 SER HA H 411 4.048 4.207 -0.159 1
1 762 . 17 1 1 A 72 72 SER CA C 411 64.240 61.591 2.649 1
1 763 . 17 1 1 A 72 72 SER CB C 411 62.396 62.893 -0.497 1
1 764 . 17 1 1 A 72 72 SER N N 411 120.766 117.447 3.319 1
1 765 . 17 1 1 A 73 73 ARG H H 412 8.835 8.120 0.715 1
1 766 . 17 1 1 A 73 73 ARG HA H 412 3.855 4.070 -0.215 1
1 773 . 17 1 1 A 73 73 ARG CA C 412 60.323 59.732 0.591 1
1 774 . 17 1 1 A 73 73 ARG CB C 412 30.369 30.049 0.320 1
1 777 . 17 1 1 A 73 73 ARG N N 412 122.276 121.825 0.451 1
1 778 . 17 1 1 A 74 74 GLN H H 413 7.873 7.422 0.451 1
1 779 . 17 1 1 A 74 74 GLN HA H 413 4.182 4.155 0.027 1
1 786 . 17 1 1 A 74 74 GLN CA C 413 58.710 58.717 -0.007 1
1 787 . 17 1 1 A 74 74 GLN CB C 413 29.447 28.647 0.800 1
1 789 . 17 1 1 A 74 74 GLN N N 413 118.689 119.199 -0.510 1
1 791 . 17 1 1 A 75 75 ILE H H 414 8.754 8.481 0.273 1
1 792 . 17 1 1 A 75 75 ILE HA H 414 3.617 3.962 -0.345 1
1 802 . 17 1 1 A 75 75 ILE CA C 414 66.544 64.635 1.909 1
1 803 . 17 1 1 A 75 75 ILE CB C 414 38.664 37.688 0.976 1
1 807 . 17 1 1 A 75 75 ILE N N 414 121.710 120.026 1.684 1
1 808 . 17 1 1 A 76 76 ILE H H 415 8.856 8.405 0.451 1
1 809 . 17 1 1 A 76 76 ILE HA H 415 3.863 3.638 0.225 1
1 819 . 17 1 1 A 76 76 ILE CA C 415 64.701 65.309 -0.608 1
1 820 . 17 1 1 A 76 76 ILE CB C 415 37.051 37.608 -0.557 1
1 824 . 17 1 1 A 76 76 ILE N N 415 120.199 122.823 -2.624 1
1 825 . 17 1 1 A 77 77 SER H H 416 7.981 7.619 0.362 1
1 826 . 17 1 1 A 77 77 SER HA H 416 4.153 4.153 0.000 1
1 829 . 17 1 1 A 77 77 SER CA C 416 62.166 62.332 -0.166 1
1 830 . 17 1 1 A 77 77 SER CB C 416 62.627 63.080 -0.453 1
1 831 . 17 1 1 A 77 77 SER N N 416 114.346 116.406 -2.060 1
1 832 . 17 1 1 A 78 78 HIS H H 417 8.126 7.552 0.574 1
1 833 . 17 1 1 A 78 78 HIS HA H 417 4.154 4.409 -0.255 1
1 838 . 17 1 1 A 78 78 HIS CA C 417 60.553 59.753 0.800 1
1 839 . 17 1 1 A 78 78 HIS CB C 417 28.065 30.426 -2.361 1
1 842 . 17 1 1 A 78 78 HIS N N 417 118.878 121.169 -2.291 1
1 843 . 17 1 1 A 79 79 TRP H H 418 8.417 8.021 0.396 1
1 844 . 17 1 1 A 79 79 TRP HA H 418 4.451 4.274 0.177 1
1 853 . 17 1 1 A 79 79 TRP CA C 418 59.862 60.647 -0.785 1
1 854 . 17 1 1 A 79 79 TRP CB C 418 30.369 29.927 0.442 1
1 860 . 17 1 1 A 79 79 TRP N N 418 119.255 121.368 -2.113 1
1 862 . 17 1 1 A 80 80 LYS H H 419 8.412 8.122 0.290 1
1 863 . 17 1 1 A 80 80 LYS HA H 419 3.714 3.837 -0.123 1
1 872 . 17 1 1 A 80 80 LYS CA C 419 58.710 58.128 0.582 1
1 873 . 17 1 1 A 80 80 LYS CB C 419 32.673 32.131 0.542 1
1 877 . 17 1 1 A 80 80 LYS N N 419 115.101 117.699 -2.598 1
1 878 . 17 1 1 A 81 81 ASN H H 420 7.416 7.696 -0.280 1
1 879 . 17 1 1 A 81 81 ASN HA H 420 4.713 4.741 -0.028 1
1 884 . 17 1 1 A 81 81 ASN CA C 420 53.410 53.631 -0.221 1
1 885 . 17 1 1 A 81 81 ASN CB C 420 40.737 40.971 -0.234 1
1 886 . 17 1 1 A 81 81 ASN N N 420 113.968 114.613 -0.645 1
1 888 . 17 1 1 A 82 82 CYS H H 421 7.617 7.678 -0.061 1
1 889 . 17 1 1 A 82 82 CYS HA H 421 3.986 4.189 -0.203 1
1 892 . 17 1 1 A 82 82 CYS CA C 421 61.244 59.357 1.887 1
1 893 . 17 1 1 A 82 82 CYS CB C 421 28.756 28.173 0.583 1
1 894 . 17 1 1 A 82 82 CYS N N 421 124.354 118.658 5.696 1
1 895 . 17 1 1 A 83 83 THR H H 422 8.535 8.590 -0.055 1
1 896 . 17 1 1 A 83 83 THR HA H 422 4.527 4.281 0.246 1
1 901 . 17 1 1 A 83 83 THR CA C 422 60.553 62.801 -2.248 1
1 902 . 17 1 1 A 83 83 THR CB C 422 69.309 69.450 -0.141 1
1 904 . 17 1 1 A 83 83 THR N N 422 118.500 118.968 -0.468 1
1 905 . 17 1 1 A 84 84 ARG HA H 423 4.448 4.265 0.183 1
1 912 . 17 1 1 A 84 84 ARG CA C 423 56.175 55.694 0.481 1
1 913 . 17 1 1 A 84 84 ARG CB C 423 31.521 30.914 0.607 1
1 916 . 17 1 1 A 85 85 HIS HA H 424 4.391 4.513 -0.122 1
1 921 . 17 1 1 A 85 85 HIS CA C 424 58.479 57.755 0.724 1
1 922 . 17 1 1 A 85 85 HIS CB C 424 30.138 28.988 1.150 1
1 925 . 17 1 1 A 86 86 ASP H H 425 7.962 8.123 -0.161 1
1 926 . 17 1 1 A 86 86 ASP HA H 425 4.525 4.682 -0.157 1
1 929 . 17 1 1 A 86 86 ASP CA C 425 51.567 53.068 -1.501 1
1 930 . 17 1 1 A 86 86 ASP CB C 425 39.585 41.324 -1.739 1
1 931 . 17 1 1 A 86 86 ASP N N 425 116.612 116.408 0.204 1
1 932 . 17 1 1 A 87 87 CYS H H 426 6.974 7.013 -0.039 1
1 933 . 17 1 1 A 87 87 CYS HA H 426 4.247 4.418 -0.171 1
1 936 . 17 1 1 A 87 87 CYS CA C 426 57.558 57.771 -0.213 1
1 937 . 17 1 1 A 87 87 CYS CB C 426 31.291 28.528 2.763 1
1 938 . 17 1 1 A 87 87 CYS N N 426 122.276 120.873 1.403 1
1 939 . 17 1 1 A 88 88 PRO HA H 427 4.445 4.326 0.119 1
1 944 . 17 1 1 A 88 88 PRO CA C 427 64.009 65.674 -1.665 1
1 945 . 17 1 1 A 88 88 PRO CB C 427 32.558 31.767 0.791 1
1 947 . 17 1 1 A 89 89 VAL H H 428 8.460 7.322 1.138 1
1 948 . 17 1 1 A 89 89 VAL HA H 428 3.719 3.778 -0.059 1
1 956 . 17 1 1 A 89 89 VAL CA C 428 65.622 65.864 -0.242 1
1 957 . 17 1 1 A 89 89 VAL CB C 428 33.134 31.763 1.371 1
1 960 . 17 1 1 A 89 89 VAL N N 428 119.822 115.544 4.278 1
1 961 . 17 1 1 A 90 90 CYS H H 429 8.729 7.777 0.952 1
1 962 . 17 1 1 A 90 90 CYS HA H 429 4.225 4.257 -0.032 1
1 965 . 17 1 1 A 90 90 CYS CA C 429 63.779 63.141 0.638 1
1 966 . 17 1 1 A 90 90 CYS CB C 429 31.291 26.933 4.358 1
1 967 . 17 1 1 A 90 90 CYS N N 429 118.878 117.761 1.117 1
1 968 . 17 1 1 A 91 91 LEU H H 430 7.907 8.225 -0.318 1
1 969 . 17 1 1 A 91 91 LEU HA H 430 4.214 4.093 0.121 1
1 979 . 17 1 1 A 91 91 LEU CA C 430 60.323 60.324 -0.001 1
1 980 . 17 1 1 A 91 91 LEU CB C 430 39.125 39.988 -0.863 1
1 984 . 17 1 1 A 91 91 LEU N N 430 118.878 123.015 -4.137 1
1 985 . 17 1 1 A 92 92 PRO HA H 431 4.460 4.357 0.103 1
1 992 . 17 1 1 A 92 92 PRO CA C 431 65.161 65.921 -0.760 1
1 993 . 17 1 1 A 92 92 PRO CB C 431 31.291 30.723 0.568 1
1 996 . 17 1 1 A 93 93 LEU H H 432 7.459 7.361 0.098 1
1 997 . 17 1 1 A 93 93 LEU HA H 432 4.359 3.864 0.495 1
1 1007 . 17 1 1 A 93 93 LEU CA C 432 55.945 57.418 -1.473 1
1 1008 . 17 1 1 A 93 93 LEU CB C 432 42.350 40.895 1.455 1
1 1012 . 17 1 1 A 93 93 LEU N N 432 115.290 116.320 -1.030 1
1 1013 . 17 1 1 A 94 94 LYS H H 433 7.975 8.484 -0.509 1
1 1014 . 17 1 1 A 94 94 LYS HA H 433 4.390 4.344 0.046 1
1 1022 . 17 1 1 A 94 94 LYS CA C 433 57.558 59.246 -1.688 1
1 1023 . 17 1 1 A 94 94 LYS CB C 433 33.134 32.182 0.952 1
1 1027 . 17 1 1 A 94 94 LYS N N 433 119.255 118.024 1.231 1
1 1028 . 17 1 1 A 95 95 ASN H H 434 8.368 8.099 0.269 1
1 1029 . 17 1 1 A 95 95 ASN HA H 434 4.733 4.587 0.146 1
1 1034 . 17 1 1 A 95 95 ASN CA C 434 53.410 56.097 -2.687 1
1 1035 . 17 1 1 A 95 95 ASN CB C 434 38.894 38.783 0.111 1
1 1036 . 17 1 1 A 95 95 ASN N N 434 117.934 118.181 -0.247 1
1 1038 . 17 1 1 A 96 96 ALA H H 435 8.040 8.487 -0.447 1
1 1039 . 17 1 1 A 96 96 ALA HA H 435 4.376 4.028 0.348 1
1 1043 . 17 1 1 A 96 96 ALA CA C 435 52.949 55.328 -2.379 1
1 1044 . 17 1 1 A 96 96 ALA CB C 435 19.310 18.320 0.990 1
1 1045 . 17 1 1 A 96 96 ALA N N 435 123.221 121.717 1.504 1
1 1046 . 17 1 1 A 97 97 SER H H 436 8.138 8.345 -0.207 1
1 1047 . 17 1 1 A 97 97 SER HA H 436 4.450 4.456 -0.006 1
1 1050 . 17 1 1 A 97 97 SER CA C 436 58.710 59.985 -1.275 1
1 1051 . 17 1 1 A 97 97 SER CB C 436 63.779 63.928 -0.149 1
1 1052 . 17 1 1 A 97 97 SER N N 436 113.591 111.898 1.693 1
1 1053 . 17 1 1 A 98 98 ASP H H 437 8.214 8.100 0.114 1
1 1054 . 17 1 1 A 98 98 ASP HA H 437 4.662 4.992 -0.330 1
1 1057 . 17 1 1 A 98 98 ASP CA C 437 54.332 52.909 1.423 1
1 1058 . 17 1 1 A 98 98 ASP CB C 437 41.198 41.962 -0.764 1
1 1059 . 17 1 1 A 98 98 ASP N N 437 121.521 121.845 -0.324 1
1 1060 . 17 1 1 A 99 99 LYS H H 438 8.062 8.064 -0.002 1
1 1061 . 17 1 1 A 99 99 LYS HA H 438 4.363 4.320 0.043 1
1 1070 . 17 1 1 A 99 99 LYS CA C 438 55.945 57.458 -1.513 1
1 1071 . 17 1 1 A 99 99 LYS CB C 438 32.720 32.027 0.693 1
1 1075 . 17 1 1 A 99 99 LYS N N 438 121.144 122.371 -1.227 1
1 1092 . 17 2 2 B 2 2 SER HA H 783 4.524 4.302 0.222 1
1 1095 . 17 2 2 B 2 2 SER CA C 783 58.053 60.619 -2.566 1
1 1096 . 17 2 2 B 2 2 SER CB C 783 64.502 63.580 0.922 1
1 1097 . 17 2 2 B 3 3 HIS HA H 784 4.721 4.731 -0.010 1
1 1102 . 17 2 2 B 3 3 HIS CA C 784 55.750 56.292 -0.542 1
1 1103 . 17 2 2 B 3 3 HIS CB C 784 30.167 32.252 -2.085 1
1 1106 . 17 2 2 B 4 4 MET HA H 785 4.495 4.176 0.319 1
1 1114 . 17 2 2 B 4 4 MET CA C 785 55.058 54.959 0.099 1
1 1115 . 17 2 2 B 4 4 MET CB C 785 32.727 33.757 -1.030 1
1 1118 . 17 2 2 B 5 5 VAL H H 786 8.163 8.223 -0.060 1
1 1119 . 17 2 2 B 5 5 VAL HA H 786 4.464 4.365 0.099 1
1 1127 . 17 2 2 B 5 5 VAL CA C 786 59.478 60.870 -1.392 1
1 1128 . 17 2 2 B 5 5 VAL CB C 786 32.606 31.669 0.937 1
1 1131 . 17 2 2 B 5 5 VAL N N 786 122.854 118.515 4.339 1
1 1132 . 17 2 2 B 6 6 PRO HA H 787 4.437 4.743 -0.306 1
1 1137 . 17 2 2 B 6 6 PRO CA C 787 62.667 62.467 0.200 1
1 1138 . 17 2 2 B 6 6 PRO CB C 787 32.010 32.813 -0.803 1
1 1140 . 17 2 2 B 7 7 GLU H H 788 8.306 8.939 -0.633 1
1 1141 . 17 2 2 B 7 7 GLU HA H 788 4.654 4.659 -0.005 1
1 1146 . 17 2 2 B 7 7 GLU CA C 788 53.568 53.809 -0.241 1
1 1147 . 17 2 2 B 7 7 GLU CB C 788 30.011 32.505 -2.494 1
1 1149 . 17 2 2 B 7 7 GLU N N 788 123.231 121.064 2.167 1
1 1150 . 17 2 2 B 8 8 PRO HA H 789 4.490 4.535 -0.045 1
1 1157 . 17 2 2 B 8 8 PRO CA C 789 62.253 62.690 -0.437 1
1 1158 . 17 2 2 B 8 8 PRO CB C 789 32.483 32.198 0.285 1
1 1161 . 17 2 2 B 9 9 ASP H H 790 8.272 8.525 -0.253 1
1 1162 . 17 2 2 B 9 9 ASP HA H 790 4.456 4.650 -0.194 1
1 1165 . 17 2 2 B 9 9 ASP CA C 790 54.137 54.401 -0.264 1
1 1166 . 17 2 2 B 9 9 ASP CB C 790 41.016 40.713 0.303 1
1 1167 . 17 2 2 B 9 9 ASP N N 790 118.511 120.385 -1.874 1
1 1168 . 17 2 2 B 10 10 LEU H H 791 8.463 8.281 0.182 1
1 1169 . 17 2 2 B 10 10 LEU HA H 791 4.356 4.399 -0.043 1
1 1179 . 17 2 2 B 10 10 LEU CA C 791 52.531 53.439 -0.908 1
1 1180 . 17 2 2 B 10 10 LEU CB C 791 42.609 42.971 -0.362 1
1 1184 . 17 2 2 B 10 10 LEU N N 791 121.343 126.760 -5.417 1
1 1185 . 17 2 2 B 11 11 PRO HA H 792 4.553 4.622 -0.069 1
1 1192 . 17 2 2 B 11 11 PRO CA C 792 62.788 63.247 -0.459 1
1 1193 . 17 2 2 B 11 11 PRO CB C 792 32.716 31.957 0.759 1
1 1196 . 17 2 2 B 12 12 HIS HA H 793 3.989 4.200 -0.211 1
1 1201 . 17 2 2 B 12 12 HIS CA C 793 60.326 59.279 1.047 1
1 1202 . 17 2 2 B 12 12 HIS CB C 793 30.803 29.666 1.137 1
1 1205 . 17 2 2 B 13 13 ASP H H 794 8.938 8.865 0.073 1
1 1206 . 17 2 2 B 13 13 ASP HA H 794 4.460 4.316 0.144 1
1 1209 . 17 2 2 B 13 13 ASP CA C 794 54.581 56.737 -2.156 1
1 1210 . 17 2 2 B 13 13 ASP CB C 794 38.061 39.495 -1.434 1
1 1211 . 17 2 2 B 13 13 ASP N N 794 114.734 118.576 -3.842 1
1 1212 . 17 2 2 B 14 14 LEU H H 795 7.674 7.773 -0.099 1
1 1213 . 17 2 2 B 14 14 LEU HA H 795 4.546 4.262 0.284 1
1 1223 . 17 2 2 B 14 14 LEU CA C 795 53.478 56.089 -2.611 1
1 1224 . 17 2 2 B 14 14 LEU CB C 795 43.597 42.051 1.546 1
1 1228 . 17 2 2 B 14 14 LEU N N 795 116.056 119.820 -3.764 1
1 1229 . 17 2 2 B 15 15 ARG H H 796 7.225 8.142 -0.917 1
1 1230 . 17 2 2 B 15 15 ARG HA H 796 3.809 3.877 -0.068 1
1 1237 . 17 2 2 B 15 15 ARG CA C 796 58.744 59.632 -0.888 1
1 1238 . 17 2 2 B 15 15 ARG CB C 796 30.413 29.811 0.602 1
1 1241 . 17 2 2 B 15 15 ARG N N 796 116.434 119.859 -3.425 1
1 1242 . 17 2 2 B 16 16 HIS HA H 797 4.703 4.371 0.332 1
1 1247 . 17 2 2 B 16 16 HIS CA C 797 55.289 58.903 -3.614 1
1 1248 . 17 2 2 B 16 16 HIS CB C 797 29.538 30.101 -0.563 1
1 1251 . 17 2 2 B 17 17 LEU H H 798 6.982 7.341 -0.359 1
1 1252 . 17 2 2 B 17 17 LEU HA H 798 4.071 4.091 -0.020 1
1 1262 . 17 2 2 B 17 17 LEU CA C 798 54.807 55.461 -0.654 1
1 1263 . 17 2 2 B 17 17 LEU CB C 798 42.206 42.175 0.031 1
1 1267 . 17 2 2 B 17 17 LEU N N 798 120.399 120.215 0.184 1
1 1268 . 17 2 2 B 18 18 ASN H H 799 8.789 8.653 0.136 1
1 1269 . 17 2 2 B 18 18 ASN HA H 799 4.857 4.857 0.000 1
1 1274 . 17 2 2 B 18 18 ASN CA C 799 52.166 52.950 -0.784 1
1 1275 . 17 2 2 B 18 18 ASN CB C 799 37.842 38.861 -1.019 1
1 1276 . 17 2 2 B 18 18 ASN N N 799 121.343 123.302 -1.959 1
1 1278 . 17 2 2 B 19 19 THR H H 800 8.585 8.587 -0.002 1
1 1279 . 17 2 2 B 19 19 THR HA H 800 4.522 4.465 0.057 1
1 1284 . 17 2 2 B 19 19 THR CA C 800 62.143 63.364 -1.221 1
1 1285 . 17 2 2 B 19 19 THR CB C 800 68.865 68.995 -0.130 1
1 1287 . 17 2 2 B 19 19 THR N N 800 115.301 117.791 -2.490 1
1 1288 . 17 2 2 B 20 20 GLU H H 801 8.415 7.938 0.477 1
1 1289 . 17 2 2 B 20 20 GLU HA H 801 4.337 4.107 0.230 1
1 1294 . 17 2 2 B 20 20 GLU CA C 801 61.496 61.349 0.147 1
1 1295 . 17 2 2 B 20 20 GLU CB C 801 26.493 27.343 -0.850 1
1 1297 . 17 2 2 B 20 20 GLU N N 801 125.119 122.440 2.679 1
1 1298 . 17 2 2 B 21 21 PRO HA H 802 4.422 4.262 0.160 1
1 1305 . 17 2 2 B 21 21 PRO CA C 802 64.520 65.587 -1.067 1
1 1306 . 17 2 2 B 21 21 PRO CB C 802 31.355 30.419 0.936 1
1 1309 . 17 2 2 B 22 22 MET H H 803 7.303 7.627 -0.324 1
1 1310 . 17 2 2 B 22 22 MET HA H 803 4.062 4.112 -0.050 1
1 1318 . 17 2 2 B 22 22 MET CA C 803 55.686 57.799 -2.113 1
1 1319 . 17 2 2 B 22 22 MET CB C 803 33.481 31.762 1.719 1
1 1322 . 17 2 2 B 22 22 MET N N 803 110.769 115.218 -4.449 1
1 1323 . 17 2 2 B 23 23 GLU H H 804 7.624 7.755 -0.131 1
1 1324 . 17 2 2 B 23 23 GLU HA H 804 3.918 3.985 -0.067 1
1 1329 . 17 2 2 B 23 23 GLU CA C 804 59.221 59.186 0.035 1
1 1330 . 17 2 2 B 23 23 GLU CB C 804 28.993 29.381 -0.388 1
1 1332 . 17 2 2 B 23 23 GLU N N 804 118.699 118.439 0.260 1
1 1333 . 17 2 2 B 24 24 ILE H H 805 6.626 6.709 -0.083 1
1 1334 . 17 2 2 B 24 24 ILE HA H 805 3.999 3.760 0.239 1
1 1344 . 17 2 2 B 24 24 ILE CA C 805 62.734 63.686 -0.952 1
1 1345 . 17 2 2 B 24 24 ILE CB C 805 37.574 36.828 0.746 1
1 1349 . 17 2 2 B 24 24 ILE N N 805 111.524 116.169 -4.645 1
1 1350 . 17 2 2 B 25 25 PHE H H 806 7.515 7.433 0.082 1
1 1351 . 17 2 2 B 25 25 PHE HA H 806 4.524 4.412 0.112 1
1 1358 . 17 2 2 B 25 25 PHE CA C 806 55.760 60.919 -5.159 1
1 1359 . 17 2 2 B 25 25 PHE CB C 806 38.464 39.208 -0.744 1
1 1362 . 17 2 2 B 25 25 PHE N N 806 118.322 120.727 -2.405 1
1 1363 . 17 2 2 B 26 26 ARG H H 807 7.368 7.680 -0.312 1
1 1364 . 17 2 2 B 26 26 ARG HA H 807 4.024 4.108 -0.084 1
1 1371 . 17 2 2 B 26 26 ARG CA C 807 58.864 59.131 -0.267 1
1 1372 . 17 2 2 B 26 26 ARG CB C 807 30.872 29.981 0.891 1
1 1375 . 17 2 2 B 26 26 ARG N N 807 118.888 121.672 -2.784 1
1 1376 . 17 2 2 B 27 27 ASN H H 808 8.877 8.152 0.725 1
1 1377 . 17 2 2 B 27 27 ASN HA H 808 4.732 4.987 -0.255 1
1 1382 . 17 2 2 B 27 27 ASN CA C 808 53.413 52.082 1.331 1
1 1383 . 17 2 2 B 27 27 ASN CB C 808 38.244 39.071 -0.827 1
1 1384 . 17 2 2 B 27 27 ASN N N 808 117.000 113.294 3.706 1
1 1386 . 17 2 2 B 28 28 SER H H 809 7.969 7.886 0.083 1
1 1387 . 17 2 2 B 28 28 SER HA H 809 4.440 4.740 -0.300 1
1 1390 . 17 2 2 B 28 28 SER CA C 809 60.606 57.939 2.667 1
1 1391 . 17 2 2 B 28 28 SER CB C 809 64.021 64.390 -0.369 1
1 1392 . 17 2 2 B 28 28 SER N N 809 114.356 115.087 -0.731 1
1 1393 . 17 2 2 B 29 29 VAL HA H 810 4.304 4.743 -0.439 1
1 1401 . 17 2 2 B 29 29 VAL CA C 810 60.803 60.396 0.407 1
1 1402 . 17 2 2 B 29 29 VAL CB C 810 34.232 36.952 -2.720 1
1 1405 . 17 2 2 B 30 30 LYS H H 811 8.707 8.466 0.241 1
1 1406 . 17 2 2 B 30 30 LYS HA H 811 4.552 4.749 -0.197 1
1 1415 . 17 2 2 B 30 30 LYS CA C 811 55.058 54.922 0.136 1
1 1416 . 17 2 2 B 30 30 LYS CB C 811 31.782 33.083 -1.301 1
1 1420 . 17 2 2 B 30 30 LYS N N 811 127.196 124.133 3.063 1
1 1421 . 17 2 2 B 31 31 ILE H H 812 8.604 8.387 0.217 1
1 1422 . 17 2 2 B 31 31 ILE HA H 812 3.662 3.673 -0.011 1
1 1432 . 17 2 2 B 31 31 ILE CA C 812 64.066 65.118 -1.052 1
1 1433 . 17 2 2 B 31 31 ILE CB C 812 37.726 37.584 0.142 1
1 1437 . 17 2 2 B 31 31 ILE N N 812 125.497 124.901 0.596 1
1 1438 . 17 2 2 B 32 32 GLU H H 813 9.330 8.323 1.007 1
1 1439 . 17 2 2 B 32 32 GLU HA H 813 4.162 4.187 -0.025 1
1 1444 . 17 2 2 B 32 32 GLU CA C 813 58.096 58.516 -0.420 1
1 1445 . 17 2 2 B 32 32 GLU CB C 813 28.834 30.033 -1.199 1
1 1447 . 17 2 2 B 32 32 GLU N N 813 118.888 118.663 0.225 1
1 1448 . 17 2 2 B 33 33 GLU H H 814 7.742 7.937 -0.195 1
1 1449 . 17 2 2 B 33 33 GLU HA H 814 4.334 4.238 0.096 1
1 1454 . 17 2 2 B 33 33 GLU CA C 814 56.441 58.870 -2.429 1
1 1455 . 17 2 2 B 33 33 GLU CB C 814 30.396 29.678 0.718 1
1 1457 . 17 2 2 B 33 33 GLU N N 814 117.566 118.856 -1.290 1
1 1458 . 17 2 2 B 34 34 ILE H H 815 7.598 7.466 0.132 1
1 1459 . 17 2 2 B 34 34 ILE HA H 815 4.216 3.743 0.473 1
1 1469 . 17 2 2 B 34 34 ILE CA C 815 61.047 64.954 -3.907 1
1 1470 . 17 2 2 B 34 34 ILE CB C 815 38.712 38.411 0.301 1
1 1474 . 17 2 2 B 34 34 ILE N N 815 117.566 118.359 -0.793 1
1 1475 . 17 2 2 B 35 35 MET H H 816 8.177 7.653 0.524 1
1 1476 . 17 2 2 B 35 35 MET HA H 816 4.733 4.594 0.139 1
1 1484 . 17 2 2 B 35 35 MET CA C 816 53.461 54.117 -0.656 1
1 1485 . 17 2 2 B 35 35 MET CB C 816 32.025 33.828 -1.803 1
1 1488 . 17 2 2 B 35 35 MET N N 816 122.665 121.392 1.273 1
1 1489 . 17 2 2 B 36 36 PRO HA H 817 4.743 4.445 0.298 1
1 1496 . 17 2 2 B 36 36 PRO CA C 817 62.542 63.630 -1.088 1
1 1497 . 17 2 2 B 36 36 PRO CB C 817 34.328 32.535 1.793 1
1 1500 . 17 2 2 B 37 37 ASN H H 818 8.374 8.188 0.186 1
1 1501 . 17 2 2 B 37 37 ASN HA H 818 4.752 4.430 0.322 1
1 1504 . 17 2 2 B 37 37 ASN CA C 818 52.995 53.951 -0.956 1
1 1505 . 17 2 2 B 37 37 ASN CB C 818 38.705 36.275 2.430 1
1 1506 . 17 2 2 B 37 37 ASN N N 818 117.378 117.244 0.134 1
1 1507 . 17 2 2 B 38 38 GLY H H 819 8.314 8.165 0.149 1
1 1508 . 17 2 2 B 38 38 GLY HA2 H 819 3.937 3.797 0.140 1
1 1509 . 17 2 2 B 38 38 GLY HA3 H 819 3.994 3.799 0.195 1
1 1510 . 17 2 2 B 38 38 GLY CA C 819 45.006 47.051 -2.045 1
1 1511 . 17 2 2 B 38 38 GLY N N 819 108.881 108.830 0.051 1
1 1512 . 17 2 2 B 39 39 ASP H H 820 8.157 7.953 0.204 1
1 1513 . 17 2 2 B 39 39 ASP HA H 820 4.939 4.990 -0.051 1
1 1516 . 17 2 2 B 39 39 ASP CA C 820 51.896 51.824 0.072 1
1 1517 . 17 2 2 B 39 39 ASP CB C 820 41.672 44.483 -2.811 1
1 1518 . 17 2 2 B 39 39 ASP N N 820 121.154 116.322 4.832 1
1 1519 . 17 2 2 B 40 40 PRO HA H 821 4.483 4.293 0.190 1
1 1526 . 17 2 2 B 40 40 PRO CA C 821 63.351 65.488 -2.137 1
1 1527 . 17 2 2 B 40 40 PRO CB C 821 32.066 31.815 0.251 1
1 1530 . 17 2 2 B 41 41 LEU H H 822 8.440 7.521 0.919 1
1 1531 . 17 2 2 B 41 41 LEU HA H 822 4.262 3.987 0.275 1
1 1541 . 17 2 2 B 41 41 LEU CA C 822 55.539 57.562 -2.023 1
1 1542 . 17 2 2 B 41 41 LEU CB C 822 41.496 41.424 0.072 1
1 1546 . 17 2 2 B 41 41 LEU N N 822 119.644 116.523 3.121 1
1 1547 . 17 2 2 B 42 42 LEU H H 823 7.863 8.144 -0.281 1
1 1548 . 17 2 2 B 42 42 LEU HA H 823 4.353 4.005 0.348 1
1 1558 . 17 2 2 B 42 42 LEU CA C 823 54.598 57.324 -2.726 1
1 1559 . 17 2 2 B 42 42 LEU CB C 823 42.025 41.165 0.860 1
1 1563 . 17 2 2 B 42 42 LEU N N 823 120.399 120.843 -0.444 1
1 1564 . 17 2 2 B 43 43 ALA H H 824 8.022 7.992 0.030 1
1 1565 . 17 2 2 B 43 43 ALA HA H 824 4.330 4.044 0.286 1
1 1569 . 17 2 2 B 43 43 ALA CA C 824 52.539 54.990 -2.451 1
1 1570 . 17 2 2 B 43 43 ALA CB C 824 19.126 18.385 0.741 1
1 1571 . 17 2 2 B 43 43 ALA N N 824 123.420 120.625 2.795 1
1 1572 . 17 2 2 B 44 44 GLY H H 825 8.346 8.277 0.069 1
1 1573 . 17 2 2 B 44 44 GLY HA2 H 825 3.973 3.905 0.068 1
1 1574 . 17 2 2 B 44 44 GLY HA3 H 825 3.973 3.907 0.066 1
1 1575 . 17 2 2 B 44 44 GLY CA C 825 45.123 46.989 -1.866 1
1 1576 . 17 2 2 B 44 44 GLY N N 825 107.559 105.828 1.731 1
1 1577 . 17 2 2 B 45 45 GLN H H 826 8.204 7.660 0.544 1
1 1578 . 17 2 2 B 45 45 GLN HA H 826 4.377 4.467 -0.090 1
1 1585 . 17 2 2 B 45 45 GLN CA C 826 55.686 55.986 -0.300 1
1 1586 . 17 2 2 B 45 45 GLN CB C 826 29.376 30.365 -0.989 1
1 1588 . 17 2 2 B 45 45 GLN N N 826 119.266 117.864 1.402 1
1 1590 . 17 2 2 B 46 46 ASN H H 827 8.556 8.185 0.371 1
1 1591 . 17 2 2 B 46 46 ASN HA H 827 4.824 4.513 0.311 1
1 1596 . 17 2 2 B 46 46 ASN CA C 827 53.216 55.000 -1.784 1
1 1597 . 17 2 2 B 46 46 ASN CB C 827 38.759 38.952 -0.193 1
1 1598 . 17 2 2 B 46 46 ASN N N 827 119.266 117.623 1.643 1
1 1600 . 17 2 2 B 47 47 THR H H 828 8.127 7.563 0.564 1
1 1601 . 17 2 2 B 47 47 THR HA H 828 4.414 4.376 0.038 1
1 1606 . 17 2 2 B 47 47 THR CA C 828 61.564 59.768 1.796 1
1 1607 . 17 2 2 B 47 47 THR CB C 828 69.507 71.120 -1.613 1
1 1609 . 17 2 2 B 47 47 THR N N 828 113.790 111.788 2.002 1
1 1610 . 17 2 2 B 48 48 VAL H H 829 8.140 8.346 -0.206 1
1 1611 . 17 2 2 B 48 48 VAL HA H 829 4.091 3.457 0.634 1
1 1619 . 17 2 2 B 48 48 VAL CA C 829 62.146 62.834 -0.688 1
1 1620 . 17 2 2 B 48 48 VAL CB C 829 32.515 29.392 3.123 1
1 1623 . 17 2 2 B 48 48 VAL N N 829 120.776 124.039 -3.263 1
1 1624 . 17 2 2 B 49 49 ASP H H 830 8.287 7.967 0.320 1
1 1625 . 17 2 2 B 49 49 ASP HA H 830 4.617 4.606 0.011 1
1 1628 . 17 2 2 B 49 49 ASP CA C 830 54.308 54.150 0.158 1
1 1629 . 17 2 2 B 49 49 ASP CB C 830 41.241 42.408 -1.167 1
1 1630 . 17 2 2 B 49 49 ASP N N 830 123.042 125.510 -2.468 1
1 1631 . 17 2 2 B 50 50 GLU H H 831 8.242 8.935 -0.693 1
1 1632 . 17 2 2 B 50 50 GLU HA H 831 4.261 4.031 0.230 1
1 1637 . 17 2 2 B 50 50 GLU CA C 831 56.521 59.593 -3.072 1
1 1638 . 17 2 2 B 50 50 GLU CB C 831 30.209 29.345 0.864 1
1 1640 . 17 2 2 B 50 50 GLU N N 831 120.776 124.246 -3.470 1
1 1641 . 17 2 2 B 51 51 VAL H H 832 8.044 7.314 0.730 1
1 1642 . 17 2 2 B 51 51 VAL HA H 832 3.988 3.797 0.191 1
1 1650 . 17 2 2 B 51 51 VAL CA C 832 62.472 65.823 -3.351 1
1 1651 . 17 2 2 B 51 51 VAL CB C 832 32.278 31.409 0.869 1
1 1654 . 17 2 2 B 51 51 VAL N N 832 120.021 116.941 3.080 1
1 1655 . 17 2 2 B 52 52 TYR H H 833 8.148 7.955 0.193 1
1 1656 . 17 2 2 B 52 52 TYR HA H 833 4.598 4.158 0.440 1
1 1663 . 17 2 2 B 52 52 TYR CA C 833 57.743 60.972 -3.229 1
1 1664 . 17 2 2 B 52 52 TYR CB C 833 38.702 38.790 -0.088 1
1 1667 . 17 2 2 B 52 52 TYR N N 833 122.854 124.496 -1.642 1
1 1668 . 17 2 2 B 53 53 VAL H H 834 7.868 7.214 0.654 1
1 1669 . 17 2 2 B 53 53 VAL HA H 834 4.114 4.603 -0.489 1
1 1677 . 17 2 2 B 53 53 VAL CA C 834 61.508 60.584 0.924 1
1 1678 . 17 2 2 B 53 53 VAL CB C 834 33.010 30.936 2.074 1
1 1681 . 17 2 2 B 53 53 VAL N N 834 121.721 112.015 9.706 1
1 1682 . 17 2 2 B 54 54 SER H H 835 8.237 7.887 0.350 1
1 1683 . 17 2 2 B 54 54 SER HA H 835 4.422 4.133 0.289 1
1 1686 . 17 2 2 B 54 54 SER CA C 835 57.823 59.063 -1.240 1
1 1687 . 17 2 2 B 54 54 SER CB C 835 63.437 60.962 2.475 1
1 1688 . 17 2 2 B 54 54 SER N N 835 119.077 115.465 3.612 1
1 1689 . 17 2 2 B 55 55 ARG H H 836 8.284 7.931 0.353 1
1 1690 . 17 2 2 B 55 55 ARG HA H 836 4.701 4.373 0.328 1
1 1697 . 17 2 2 B 55 55 ARG CA C 836 53.601 54.867 -1.266 1
1 1698 . 17 2 2 B 55 55 ARG CB C 836 30.394 29.957 0.437 1
1 1701 . 17 2 2 B 55 55 ARG N N 836 123.798 120.729 3.069 1
1 1702 . 17 2 2 B 56 56 PRO HA H 837 4.485 4.477 0.008 1
1 1709 . 17 2 2 B 56 56 PRO CA C 837 63.351 64.388 -1.037 1
1 1710 . 17 2 2 B 56 56 PRO CB C 837 31.795 31.944 -0.149 1
1 7 . 18 1 1 A 2 2 THR HA H 341 4.462 4.371 0.091 1
1 12 . 18 1 1 A 2 2 THR CA C 341 61.936 62.866 -0.930 1
1 13 . 18 1 1 A 2 2 THR CB C 341 69.770 69.143 0.627 1
1 15 . 18 1 1 A 3 3 GLY HA2 H 342 4.141 4.028 0.113 1
1 16 . 18 1 1 A 3 3 GLY HA3 H 342 4.238 4.028 0.210 1
1 17 . 18 1 1 A 3 3 GLY CA C 342 44.424 45.329 -0.905 1
1 18 . 18 1 1 A 4 4 PRO HA H 343 4.567 4.348 0.219 1
1 25 . 18 1 1 A 4 4 PRO CA C 343 63.088 64.683 -1.595 1
1 26 . 18 1 1 A 4 4 PRO CB C 343 32.443 31.908 0.535 1
1 29 . 18 1 1 A 5 5 THR H H 344 8.284 7.731 0.553 1
1 30 . 18 1 1 A 5 5 THR HA H 344 4.342 4.321 0.021 1
1 35 . 18 1 1 A 5 5 THR CA C 344 61.936 62.284 -0.348 1
1 36 . 18 1 1 A 5 5 THR CB C 344 69.539 69.128 0.411 1
1 38 . 18 1 1 A 5 5 THR N N 344 113.968 107.640 6.328 1
1 39 . 18 1 1 A 6 6 ALA H H 345 8.269 7.522 0.747 1
1 40 . 18 1 1 A 6 6 ALA HA H 345 4.434 4.921 -0.487 1
1 44 . 18 1 1 A 6 6 ALA CA C 345 52.028 50.455 1.573 1
1 45 . 18 1 1 A 6 6 ALA CB C 345 19.771 23.143 -3.372 1
1 46 . 18 1 1 A 6 6 ALA N N 345 126.619 123.864 2.755 1
1 47 . 18 1 1 A 7 7 ASP H H 346 8.454 8.592 -0.138 1
1 48 . 18 1 1 A 7 7 ASP HA H 346 4.917 4.913 0.004 1
1 51 . 18 1 1 A 7 7 ASP CA C 346 52.719 51.271 1.448 1
1 52 . 18 1 1 A 7 7 ASP CB C 346 41.659 42.259 -0.600 1
1 53 . 18 1 1 A 7 7 ASP N N 346 120.766 120.311 0.455 1
1 54 . 18 1 1 A 8 8 PRO HA H 347 4.398 4.277 0.121 1
1 61 . 18 1 1 A 8 8 PRO CA C 347 64.931 65.567 -0.636 1
1 62 . 18 1 1 A 8 8 PRO CB C 347 32.388 31.704 0.684 1
1 65 . 18 1 1 A 9 9 GLU H H 348 8.113 8.031 0.082 1
1 66 . 18 1 1 A 9 9 GLU HA H 348 4.154 4.104 0.050 1
1 71 . 18 1 1 A 9 9 GLU CB C 348 30.138 29.403 0.735 1
1 73 . 18 1 1 A 9 9 GLU N N 348 116.423 118.126 -1.703 1
1 74 . 18 1 1 A 10 10 LYS H H 349 7.699 8.194 -0.495 1
1 75 . 18 1 1 A 10 10 LYS HA H 349 3.982 3.968 0.014 1
1 84 . 18 1 1 A 10 10 LYS CA C 349 60.092 59.450 0.642 1
1 85 . 18 1 1 A 10 10 LYS CB C 349 32.558 32.195 0.363 1
1 89 . 18 1 1 A 10 10 LYS N N 349 119.255 119.972 -0.717 1
1 90 . 18 1 1 A 11 11 ARG H H 350 7.845 8.037 -0.192 1
1 91 . 18 1 1 A 11 11 ARG HA H 350 3.656 3.898 -0.242 1
1 98 . 18 1 1 A 11 11 ARG CA C 350 60.092 59.297 0.795 1
1 99 . 18 1 1 A 11 11 ARG CB C 350 28.295 30.037 -1.742 1
1 102 . 18 1 1 A 11 11 ARG N N 350 117.178 119.626 -2.448 1
1 103 . 18 1 1 A 12 12 LYS H H 351 7.888 7.597 0.291 1
1 104 . 18 1 1 A 12 12 LYS HA H 351 4.198 4.220 -0.022 1
1 109 . 18 1 1 A 12 12 LYS CA C 351 59.631 59.256 0.375 1
1 110 . 18 1 1 A 12 12 LYS CB C 351 32.673 32.304 0.369 1
1 112 . 18 1 1 A 12 12 LYS N N 351 117.745 118.262 -0.517 1
1 113 . 18 1 1 A 13 13 LEU H H 352 7.696 7.905 -0.209 1
1 114 . 18 1 1 A 13 13 LEU HA H 352 4.259 4.042 0.217 1
1 124 . 18 1 1 A 13 13 LEU CA C 352 58.019 57.873 0.146 1
1 125 . 18 1 1 A 13 13 LEU CB C 352 42.120 41.784 0.336 1
1 129 . 18 1 1 A 13 13 LEU N N 352 119.444 119.774 -0.330 1
1 130 . 18 1 1 A 14 14 ILE H H 353 7.831 7.522 0.309 1
1 131 . 18 1 1 A 14 14 ILE HA H 353 3.648 3.784 -0.136 1
1 141 . 18 1 1 A 14 14 ILE CA C 353 65.392 64.290 1.102 1
1 142 . 18 1 1 A 14 14 ILE CB C 353 38.203 37.660 0.543 1
1 146 . 18 1 1 A 14 14 ILE N N 353 118.311 115.645 2.666 1
1 147 . 18 1 1 A 15 15 GLN H H 354 8.178 7.926 0.252 1
1 148 . 18 1 1 A 15 15 GLN HA H 354 3.791 3.899 -0.108 1
1 155 . 18 1 1 A 15 15 GLN CA C 354 59.631 59.109 0.522 1
1 156 . 18 1 1 A 15 15 GLN CB C 354 30.369 28.244 2.125 1
1 158 . 18 1 1 A 15 15 GLN N N 354 116.423 121.075 -4.652 1
1 160 . 18 1 1 A 16 16 GLN H H 355 8.192 8.225 -0.033 1
1 161 . 18 1 1 A 16 16 GLN HA H 355 3.799 4.065 -0.266 1
1 168 . 18 1 1 A 16 16 GLN CA C 355 59.171 59.176 -0.005 1
1 169 . 18 1 1 A 16 16 GLN CB C 355 28.986 28.441 0.545 1
1 171 . 18 1 1 A 16 16 GLN N N 355 117.178 118.757 -1.579 1
1 173 . 18 1 1 A 17 17 GLN H H 356 7.970 7.596 0.374 1
1 174 . 18 1 1 A 17 17 GLN HA H 356 3.136 4.010 -0.874 1
1 181 . 18 1 1 A 17 17 GLN CA C 356 60.323 58.596 1.727 1
1 182 . 18 1 1 A 17 17 GLN CB C 356 27.143 28.181 -1.038 1
1 184 . 18 1 1 A 17 17 GLN N N 356 118.311 119.650 -1.339 1
1 186 . 18 1 1 A 18 18 LEU H H 357 8.408 8.056 0.352 1
1 187 . 18 1 1 A 18 18 LEU HA H 357 3.863 3.990 -0.127 1
1 197 . 18 1 1 A 18 18 LEU CA C 357 58.710 58.343 0.367 1
1 198 . 18 1 1 A 18 18 LEU CB C 357 40.968 41.722 -0.754 1
1 202 . 18 1 1 A 18 18 LEU N N 357 117.934 121.158 -3.224 1
1 203 . 18 1 1 A 19 19 VAL H H 358 8.544 8.244 0.300 1
1 204 . 18 1 1 A 19 19 VAL HA H 358 3.479 3.447 0.032 1
1 212 . 18 1 1 A 19 19 VAL CA C 358 66.544 66.677 -0.133 1
1 213 . 18 1 1 A 19 19 VAL CB C 358 31.060 31.544 -0.484 1
1 216 . 18 1 1 A 19 19 VAL N N 358 116.423 119.035 -2.612 1
1 217 . 18 1 1 A 20 20 LEU H H 359 7.820 7.999 -0.179 1
1 218 . 18 1 1 A 20 20 LEU HA H 359 3.952 3.943 0.009 1
1 228 . 18 1 1 A 20 20 LEU CA C 359 58.019 58.009 0.010 1
1 229 . 18 1 1 A 20 20 LEU CB C 359 42.696 41.297 1.399 1
1 233 . 18 1 1 A 20 20 LEU N N 359 120.955 120.315 0.640 1
1 234 . 18 1 1 A 21 21 LEU H H 360 8.278 8.007 0.271 1
1 235 . 18 1 1 A 21 21 LEU HA H 360 3.868 4.080 -0.212 1
1 245 . 18 1 1 A 21 21 LEU CA C 360 58.710 58.020 0.690 1
1 246 . 18 1 1 A 21 21 LEU CB C 360 42.811 41.548 1.263 1
1 250 . 18 1 1 A 21 21 LEU N N 360 121.144 119.704 1.440 1
1 251 . 18 1 1 A 22 22 LEU H H 361 8.331 8.183 0.148 1
1 252 . 18 1 1 A 22 22 LEU HA H 361 3.919 3.958 -0.039 1
1 262 . 18 1 1 A 22 22 LEU CA C 361 57.788 58.068 -0.280 1
1 263 . 18 1 1 A 22 22 LEU CB C 361 41.083 41.329 -0.246 1
1 267 . 18 1 1 A 22 22 LEU N N 361 118.500 117.930 0.570 1
1 268 . 18 1 1 A 23 23 HIS H H 362 8.620 8.470 0.150 1
1 269 . 18 1 1 A 23 23 HIS HA H 362 4.114 4.258 -0.144 1
1 274 . 18 1 1 A 23 23 HIS CA C 362 60.323 59.644 0.679 1
1 275 . 18 1 1 A 23 23 HIS CB C 362 27.834 29.694 -1.860 1
1 278 . 18 1 1 A 23 23 HIS N N 362 117.934 118.039 -0.105 1
1 279 . 18 1 1 A 24 24 ALA H H 363 9.049 8.360 0.689 1
1 280 . 18 1 1 A 24 24 ALA HA H 363 3.954 3.952 0.002 1
1 284 . 18 1 1 A 24 24 ALA CA C 363 55.253 55.084 0.169 1
1 285 . 18 1 1 A 24 24 ALA CB C 363 19.079 17.825 1.254 1
1 286 . 18 1 1 A 24 24 ALA N N 363 121.710 120.633 1.077 1
1 287 . 18 1 1 A 25 25 HIS H H 364 7.955 8.210 -0.255 1
1 288 . 18 1 1 A 25 25 HIS HA H 364 4.130 4.192 -0.062 1
1 293 . 18 1 1 A 25 25 HIS CA C 364 60.092 59.621 0.471 1
1 294 . 18 1 1 A 25 25 HIS CB C 364 31.060 29.465 1.595 1
1 297 . 18 1 1 A 25 25 HIS N N 364 115.856 118.486 -2.630 1
1 298 . 18 1 1 A 26 26 LYS H H 365 7.053 7.642 -0.589 1
1 299 . 18 1 1 A 26 26 LYS HA H 365 4.014 3.779 0.235 1
1 302 . 18 1 1 A 26 26 LYS CA C 365 57.788 58.611 -0.823 1
1 303 . 18 1 1 A 26 26 LYS CB C 365 32.903 32.255 0.648 1
1 304 . 18 1 1 A 26 26 LYS N N 365 117.178 117.911 -0.733 1
1 305 . 18 1 1 A 27 27 CYS H H 366 8.592 8.141 0.451 1
1 306 . 18 1 1 A 27 27 CYS HA H 366 3.741 3.953 -0.212 1
1 309 . 18 1 1 A 27 27 CYS CA C 366 62.396 62.473 -0.077 1
1 310 . 18 1 1 A 27 27 CYS CB C 366 29.678 26.913 2.765 1
1 311 . 18 1 1 A 27 27 CYS N N 366 123.976 118.928 5.048 1
1 312 . 18 1 1 A 28 28 GLN H H 367 8.349 8.430 -0.081 1
1 313 . 18 1 1 A 28 28 GLN HA H 367 4.283 3.920 0.363 1
1 320 . 18 1 1 A 28 28 GLN CA C 367 57.327 59.261 -1.934 1
1 321 . 18 1 1 A 28 28 GLN CB C 367 29.217 28.348 0.869 1
1 323 . 18 1 1 A 28 28 GLN N N 367 119.444 120.342 -0.898 1
1 325 . 18 1 1 A 29 29 ARG H H 368 7.635 7.877 -0.242 1
1 326 . 18 1 1 A 29 29 ARG HA H 368 4.169 4.104 0.065 1
1 333 . 18 1 1 A 29 29 ARG CA C 368 57.558 59.409 -1.851 1
1 334 . 18 1 1 A 29 29 ARG CB C 368 29.908 29.815 0.093 1
1 337 . 18 1 1 A 29 29 ARG N N 368 119.444 118.831 0.613 1
1 338 . 18 1 1 A 30 30 ARG H H 369 8.018 7.891 0.127 1
1 339 . 18 1 1 A 30 30 ARG HA H 369 4.260 4.032 0.228 1
1 346 . 18 1 1 A 30 30 ARG CA C 369 57.558 59.819 -2.261 1
1 347 . 18 1 1 A 30 30 ARG CB C 369 30.599 30.109 0.490 1
1 350 . 18 1 1 A 30 30 ARG N N 369 120.388 119.001 1.387 1
1 351 . 18 1 1 A 31 31 GLU H H 370 8.208 8.152 0.056 1
1 352 . 18 1 1 A 31 31 GLU HA H 370 4.236 4.143 0.093 1
1 357 . 18 1 1 A 31 31 GLU CA C 370 57.788 59.001 -1.213 1
1 358 . 18 1 1 A 31 31 GLU CB C 370 30.369 29.459 0.910 1
1 360 . 18 1 1 A 31 31 GLU N N 370 120.388 119.572 0.816 1
1 361 . 18 1 1 A 32 32 GLN H H 371 8.165 8.343 -0.178 1
1 362 . 18 1 1 A 32 32 GLN HA H 371 4.313 4.020 0.293 1
1 367 . 18 1 1 A 32 32 GLN CA C 371 56.636 58.817 -2.181 1
1 368 . 18 1 1 A 32 32 GLN CB C 371 29.217 28.118 1.099 1
1 370 . 18 1 1 A 32 32 GLN N N 371 118.878 119.302 -0.424 1
1 371 . 18 1 1 A 33 33 ALA H H 372 8.095 7.592 0.503 1
1 372 . 18 1 1 A 33 33 ALA HA H 372 4.327 4.167 0.160 1
1 376 . 18 1 1 A 33 33 ALA CA C 372 53.180 53.911 -0.731 1
1 377 . 18 1 1 A 33 33 ALA CB C 372 19.079 18.417 0.662 1
1 378 . 18 1 1 A 33 33 ALA N N 372 123.032 121.274 1.758 1
1 379 . 18 1 1 A 34 34 ASN H H 373 8.186 8.216 -0.030 1
1 380 . 18 1 1 A 34 34 ASN HA H 373 4.735 5.015 -0.280 1
1 383 . 18 1 1 A 34 34 ASN CA C 373 53.410 53.463 -0.053 1
1 384 . 18 1 1 A 34 34 ASN CB C 373 38.894 40.886 -1.992 1
1 385 . 18 1 1 A 34 34 ASN N N 373 115.479 116.441 -0.962 1
1 386 . 18 1 1 A 35 35 GLY H H 374 8.266 9.433 -1.167 1
1 387 . 18 1 1 A 35 35 GLY HA2 H 374 3.943 3.939 0.004 1
1 388 . 18 1 1 A 35 35 GLY HA3 H 374 4.044 3.940 0.104 1
1 389 . 18 1 1 A 35 35 GLY CA C 374 45.576 45.343 0.233 1
1 390 . 18 1 1 A 35 35 GLY N N 374 108.492 107.791 0.701 1
1 391 . 18 1 1 A 36 36 GLU H H 375 8.132 7.590 0.542 1
1 392 . 18 1 1 A 36 36 GLU HA H 375 4.368 4.730 -0.362 1
1 397 . 18 1 1 A 36 36 GLU CA C 375 55.945 55.041 0.904 1
1 398 . 18 1 1 A 36 36 GLU CB C 375 30.369 32.555 -2.186 1
1 400 . 18 1 1 A 36 36 GLU N N 375 119.822 115.573 4.249 1
1 401 . 18 1 1 A 37 37 VAL H H 376 8.132 8.520 -0.388 1
1 402 . 18 1 1 A 37 37 VAL HA H 376 4.139 4.735 -0.596 1
1 410 . 18 1 1 A 37 37 VAL CA C 376 62.166 59.518 2.648 1
1 411 . 18 1 1 A 37 37 VAL CB C 376 32.673 35.635 -2.962 1
1 414 . 18 1 1 A 37 37 VAL N N 376 121.144 119.510 1.634 1
1 415 . 18 1 1 A 38 38 ARG H H 377 8.455 8.602 -0.147 1
1 416 . 18 1 1 A 38 38 ARG HA H 377 4.392 4.721 -0.329 1
1 423 . 18 1 1 A 38 38 ARG CA C 377 55.253 55.351 -0.098 1
1 424 . 18 1 1 A 38 38 ARG CB C 377 31.060 30.323 0.737 1
1 427 . 18 1 1 A 38 38 ARG N N 377 125.109 124.871 0.238 1
1 428 . 18 1 1 A 39 39 ALA H H 378 8.384 8.067 0.317 1
1 429 . 18 1 1 A 39 39 ALA HA H 378 4.287 4.540 -0.253 1
1 433 . 18 1 1 A 39 39 ALA CA C 378 52.028 51.081 0.947 1
1 434 . 18 1 1 A 39 39 ALA CB C 378 19.540 19.811 -0.271 1
1 435 . 18 1 1 A 39 39 ALA N N 378 126.053 122.218 3.835 1
1 436 . 18 1 1 A 40 40 CYS H H 379 8.480 7.780 0.700 1
1 437 . 18 1 1 A 40 40 CYS HA H 379 4.344 4.867 -0.523 1
1 440 . 18 1 1 A 40 40 CYS CA C 379 60.092 57.970 2.122 1
1 441 . 18 1 1 A 40 40 CYS CB C 379 30.138 32.416 -2.278 1
1 442 . 18 1 1 A 40 40 CYS N N 379 123.787 117.363 6.424 1
1 443 . 18 1 1 A 41 41 SER HA H 380 4.588 4.874 -0.286 1
1 446 . 18 1 1 A 41 41 SER CA C 380 57.788 57.410 0.378 1
1 447 . 18 1 1 A 41 41 SER CB C 380 63.779 64.678 -0.899 1
1 448 . 18 1 1 A 42 42 LEU H H 381 8.642 7.467 1.175 1
1 449 . 18 1 1 A 42 42 LEU HA H 381 4.488 4.270 0.218 1
1 459 . 18 1 1 A 42 42 LEU CA C 381 53.871 53.662 0.209 1
1 460 . 18 1 1 A 42 42 LEU CB C 381 41.659 42.462 -0.803 1
1 464 . 18 1 1 A 42 42 LEU N N 381 129.074 124.100 4.974 1
1 465 . 18 1 1 A 43 43 PRO HA H 382 4.095 4.190 -0.095 1
1 472 . 18 1 1 A 43 43 PRO CA C 382 64.470 64.746 -0.276 1
1 473 . 18 1 1 A 43 43 PRO CB C 382 31.751 31.684 0.067 1
1 476 . 18 1 1 A 44 44 HIS H H 383 8.014 8.097 -0.083 1
1 477 . 18 1 1 A 44 44 HIS HA H 383 4.527 4.955 -0.428 1
1 482 . 18 1 1 A 44 44 HIS CA C 383 58.249 55.120 3.129 1
1 483 . 18 1 1 A 44 44 HIS CB C 383 30.369 30.316 0.053 1
1 486 . 18 1 1 A 44 44 HIS N N 383 110.569 113.544 -2.975 1
1 487 . 18 1 1 A 45 45 CYS H H 384 7.729 7.808 -0.079 1
1 488 . 18 1 1 A 45 45 CYS HA H 384 4.023 3.913 0.110 1
1 491 . 18 1 1 A 45 45 CYS CA C 384 64.470 62.681 1.789 1
1 492 . 18 1 1 A 45 45 CYS CB C 384 28.756 26.625 2.131 1
1 493 . 18 1 1 A 45 45 CYS N N 384 124.165 120.613 3.552 1
1 494 . 18 1 1 A 46 46 ARG H H 385 8.239 8.108 0.131 1
1 495 . 18 1 1 A 46 46 ARG HA H 385 3.978 4.117 -0.139 1
1 502 . 18 1 1 A 46 46 ARG CA C 385 59.401 58.679 0.722 1
1 503 . 18 1 1 A 46 46 ARG CB C 385 28.986 29.903 -0.917 1
1 506 . 18 1 1 A 46 46 ARG N N 385 116.612 119.322 -2.710 1
1 507 . 18 1 1 A 47 47 THR H H 386 7.496 8.090 -0.594 1
1 508 . 18 1 1 A 47 47 THR HA H 386 4.008 3.936 0.072 1
1 513 . 18 1 1 A 47 47 THR CA C 386 65.853 67.094 -1.241 1
1 514 . 18 1 1 A 47 47 THR CB C 386 68.387 68.471 -0.084 1
1 516 . 18 1 1 A 47 47 THR N N 386 114.346 116.562 -2.216 1
1 517 . 18 1 1 A 48 48 MET H H 387 8.216 8.213 0.003 1
1 518 . 18 1 1 A 48 48 MET HA H 387 4.622 4.046 0.576 1
1 526 . 18 1 1 A 48 48 MET CA C 387 56.636 59.135 -2.499 1
1 527 . 18 1 1 A 48 48 MET CB C 387 31.291 32.795 -1.504 1
1 530 . 18 1 1 A 48 48 MET N N 387 119.444 118.417 1.027 1
1 531 . 18 1 1 A 49 49 LYS H H 388 9.306 8.284 1.022 1
1 532 . 18 1 1 A 49 49 LYS HA H 388 3.923 4.035 -0.112 1
1 541 . 18 1 1 A 49 49 LYS CA C 388 61.244 60.206 1.038 1
1 542 . 18 1 1 A 49 49 LYS CB C 388 32.903 32.399 0.504 1
1 546 . 18 1 1 A 49 49 LYS N N 388 122.276 118.345 3.931 1
1 547 . 18 1 1 A 50 50 ASN H H 389 8.069 7.948 0.121 1
1 548 . 18 1 1 A 50 50 ASN HA H 389 4.629 4.590 0.039 1
1 553 . 18 1 1 A 50 50 ASN CA C 389 56.175 56.139 0.036 1
1 554 . 18 1 1 A 50 50 ASN CB C 389 37.512 38.628 -1.116 1
1 555 . 18 1 1 A 50 50 ASN N N 389 117.178 117.951 -0.773 1
1 557 . 18 1 1 A 51 51 VAL H H 390 8.116 7.830 0.286 1
1 558 . 18 1 1 A 51 51 VAL HA H 390 3.803 3.655 0.148 1
1 566 . 18 1 1 A 51 51 VAL CA C 390 67.235 66.652 0.583 1
1 567 . 18 1 1 A 51 51 VAL CB C 390 31.751 31.590 0.161 1
1 570 . 18 1 1 A 51 51 VAL N N 390 123.598 119.834 3.764 1
1 571 . 18 1 1 A 52 52 LEU H H 391 8.735 8.588 0.147 1
1 572 . 18 1 1 A 52 52 LEU HA H 391 4.123 4.017 0.106 1
1 582 . 18 1 1 A 52 52 LEU CA C 391 58.479 58.277 0.202 1
1 583 . 18 1 1 A 52 52 LEU CB C 391 41.659 41.539 0.120 1
1 587 . 18 1 1 A 52 52 LEU N N 391 120.955 119.778 1.177 1
1 588 . 18 1 1 A 53 53 ASN H H 392 8.231 8.570 -0.339 1
1 589 . 18 1 1 A 53 53 ASN HA H 392 4.561 4.371 0.190 1
1 594 . 18 1 1 A 53 53 ASN CA C 392 56.175 56.497 -0.322 1
1 595 . 18 1 1 A 53 53 ASN CB C 392 38.433 39.303 -0.870 1
1 596 . 18 1 1 A 53 53 ASN N N 392 116.801 117.443 -0.642 1
1 598 . 18 1 1 A 54 54 HIS H H 393 8.049 8.252 -0.203 1
1 599 . 18 1 1 A 54 54 HIS HA H 393 4.418 4.306 0.112 1
1 604 . 18 1 1 A 54 54 HIS CA C 393 59.401 60.081 -0.680 1
1 605 . 18 1 1 A 54 54 HIS CB C 393 27.604 30.295 -2.691 1
1 608 . 18 1 1 A 54 54 HIS N N 393 120.011 119.612 0.399 1
1 609 . 18 1 1 A 55 55 MET H H 394 9.118 8.604 0.514 1
1 610 . 18 1 1 A 55 55 MET HA H 394 3.704 3.992 -0.288 1
1 618 . 18 1 1 A 55 55 MET CA C 394 59.401 58.367 1.034 1
1 619 . 18 1 1 A 55 55 MET CB C 394 34.286 32.557 1.729 1
1 622 . 18 1 1 A 55 55 MET N N 394 119.066 116.796 2.270 1
1 623 . 18 1 1 A 56 56 THR H H 395 7.521 7.716 -0.195 1
1 624 . 18 1 1 A 56 56 THR HA H 395 3.915 4.086 -0.171 1
1 629 . 18 1 1 A 56 56 THR CA C 395 65.392 64.347 1.045 1
1 630 . 18 1 1 A 56 56 THR CB C 395 69.309 68.158 1.151 1
1 632 . 18 1 1 A 56 56 THR N N 395 110.758 114.959 -4.201 1
1 633 . 18 1 1 A 57 57 HIS H H 396 7.023 7.796 -0.773 1
1 634 . 18 1 1 A 57 57 HIS HA H 396 4.846 4.726 0.120 1
1 639 . 18 1 1 A 57 57 HIS CA C 396 55.023 56.201 -1.178 1
1 640 . 18 1 1 A 57 57 HIS CB C 396 30.830 31.593 -0.763 1
1 643 . 18 1 1 A 57 57 HIS N N 396 115.668 115.684 -0.016 1
1 644 . 18 1 1 A 58 58 CYS H H 397 7.134 7.632 -0.498 1
1 645 . 18 1 1 A 58 58 CYS HA H 397 4.048 4.140 -0.092 1
1 648 . 18 1 1 A 58 58 CYS CA C 397 60.784 59.925 0.859 1
1 649 . 18 1 1 A 58 58 CYS CB C 397 29.678 28.009 1.669 1
1 650 . 18 1 1 A 58 58 CYS N N 397 123.598 118.315 5.283 1
1 651 . 18 1 1 A 59 59 GLN HA H 398 4.710 4.625 0.085 1
1 656 . 18 1 1 A 59 59 GLN CA C 398 55.023 55.702 -0.679 1
1 657 . 18 1 1 A 59 59 GLN CB C 398 29.678 29.701 -0.023 1
1 659 . 18 1 1 A 60 60 ALA H H 399 8.689 7.370 1.319 1
1 660 . 18 1 1 A 60 60 ALA HA H 399 4.414 4.270 0.144 1
1 664 . 18 1 1 A 60 60 ALA CA C 399 52.949 52.188 0.761 1
1 665 . 18 1 1 A 60 60 ALA CB C 399 20.001 19.562 0.439 1
1 666 . 18 1 1 A 60 60 ALA N N 399 124.731 121.982 2.749 1
1 667 . 18 1 1 A 61 61 GLY H H 400 8.166 8.274 -0.108 1
1 668 . 18 1 1 A 61 61 GLY HA2 H 400 3.621 3.931 -0.310 1
1 669 . 18 1 1 A 61 61 GLY HA3 H 400 3.976 3.936 0.040 1
1 670 . 18 1 1 A 61 61 GLY CA C 400 46.267 46.389 -0.122 1
1 671 . 18 1 1 A 61 61 GLY N N 400 107.926 107.293 0.633 1
1 672 . 18 1 1 A 62 62 LYS HA H 401 4.138 4.378 -0.240 1
1 673 . 18 1 1 A 62 62 LYS CA C 401 58.479 56.470 2.009 1
1 674 . 18 1 1 A 63 63 ALA H H 402 7.671 8.108 -0.437 1
1 675 . 18 1 1 A 63 63 ALA HA H 402 4.448 4.541 -0.093 1
1 679 . 18 1 1 A 63 63 ALA CA C 402 51.336 51.552 -0.216 1
1 680 . 18 1 1 A 63 63 ALA CB C 402 19.079 20.854 -1.775 1
1 681 . 18 1 1 A 63 63 ALA N N 402 119.444 123.015 -3.571 1
1 682 . 18 1 1 A 64 64 CYS H H 403 7.497 7.435 0.062 1
1 683 . 18 1 1 A 64 64 CYS HA H 403 3.857 4.364 -0.507 1
1 686 . 18 1 1 A 64 64 CYS CA C 403 62.396 59.506 2.890 1
1 687 . 18 1 1 A 64 64 CYS CB C 403 29.908 28.716 1.192 1
1 688 . 18 1 1 A 64 64 CYS N N 403 121.899 118.555 3.344 1
1 689 . 18 1 1 A 65 65 GLN H H 404 9.025 8.713 0.312 1
1 690 . 18 1 1 A 65 65 GLN HA H 404 4.463 4.061 0.402 1
1 697 . 18 1 1 A 65 65 GLN CA C 404 55.673 57.774 -2.101 1
1 698 . 18 1 1 A 65 65 GLN CB C 404 29.332 28.770 0.562 1
1 700 . 18 1 1 A 65 65 GLN N N 404 128.885 125.566 3.319 1
1 702 . 18 1 1 A 66 66 VAL H H 405 9.337 7.215 2.122 1
1 703 . 18 1 1 A 66 66 VAL HA H 405 3.631 4.101 -0.470 1
1 711 . 18 1 1 A 66 66 VAL CA C 405 64.240 62.934 1.306 1
1 712 . 18 1 1 A 66 66 VAL CB C 405 30.830 31.030 -0.200 1
1 715 . 18 1 1 A 66 66 VAL N N 405 127.752 118.877 8.875 1
1 716 . 18 1 1 A 67 67 ALA H H 406 8.581 8.720 -0.139 1
1 717 . 18 1 1 A 67 67 ALA HA H 406 3.761 3.888 -0.127 1
1 721 . 18 1 1 A 67 67 ALA CA C 406 54.101 55.336 -1.235 1
1 722 . 18 1 1 A 67 67 ALA CB C 406 17.467 18.238 -0.771 1
1 723 . 18 1 1 A 67 67 ALA N N 406 133.983 130.169 3.814 1
1 724 . 18 1 1 A 68 68 HIS H H 407 8.099 7.553 0.546 1
1 725 . 18 1 1 A 68 68 HIS HA H 407 4.407 4.564 -0.157 1
1 730 . 18 1 1 A 68 68 HIS CA C 407 57.327 58.547 -1.220 1
1 731 . 18 1 1 A 68 68 HIS CB C 407 29.447 29.678 -0.231 1
1 734 . 18 1 1 A 68 68 HIS N N 407 110.569 114.567 -3.998 1
1 735 . 18 1 1 A 69 69 CYS H H 408 8.086 7.699 0.387 1
1 736 . 18 1 1 A 69 69 CYS HA H 408 4.163 4.120 0.043 1
1 739 . 18 1 1 A 69 69 CYS CA C 408 64.240 62.210 2.030 1
1 740 . 18 1 1 A 69 69 CYS CB C 408 29.908 27.227 2.681 1
1 741 . 18 1 1 A 69 69 CYS N N 408 126.619 118.931 7.688 1
1 742 . 18 1 1 A 70 70 ALA H H 409 8.728 7.756 0.972 1
1 743 . 18 1 1 A 70 70 ALA HA H 409 4.333 4.072 0.261 1
1 747 . 18 1 1 A 70 70 ALA CA C 409 55.253 55.411 -0.158 1
1 748 . 18 1 1 A 70 70 ALA CB C 409 17.697 18.019 -0.322 1
1 749 . 18 1 1 A 70 70 ALA N N 409 118.689 123.084 -4.395 1
1 750 . 18 1 1 A 71 71 SER H H 410 9.179 8.275 0.904 1
1 751 . 18 1 1 A 71 71 SER HA H 410 4.138 4.214 -0.076 1
1 754 . 18 1 1 A 71 71 SER CA C 410 60.323 61.693 -1.370 1
1 755 . 18 1 1 A 71 71 SER CB C 410 61.244 62.680 -1.436 1
1 756 . 18 1 1 A 71 71 SER N N 410 114.535 113.219 1.316 1
1 757 . 18 1 1 A 72 72 SER H H 411 7.937 8.112 -0.175 1
1 758 . 18 1 1 A 72 72 SER HA H 411 4.048 4.100 -0.052 1
1 762 . 18 1 1 A 72 72 SER CA C 411 64.240 61.828 2.412 1
1 763 . 18 1 1 A 72 72 SER CB C 411 62.396 63.015 -0.619 1
1 764 . 18 1 1 A 72 72 SER N N 411 120.766 116.936 3.830 1
1 765 . 18 1 1 A 73 73 ARG H H 412 8.835 8.248 0.587 1
1 766 . 18 1 1 A 73 73 ARG HA H 412 3.855 3.985 -0.130 1
1 773 . 18 1 1 A 73 73 ARG CA C 412 60.323 59.671 0.652 1
1 774 . 18 1 1 A 73 73 ARG CB C 412 30.369 29.800 0.569 1
1 777 . 18 1 1 A 73 73 ARG N N 412 122.276 121.348 0.928 1
1 778 . 18 1 1 A 74 74 GLN H H 413 7.873 7.523 0.350 1
1 779 . 18 1 1 A 74 74 GLN HA H 413 4.182 4.236 -0.054 1
1 786 . 18 1 1 A 74 74 GLN CA C 413 58.710 58.332 0.378 1
1 787 . 18 1 1 A 74 74 GLN CB C 413 29.447 28.684 0.763 1
1 789 . 18 1 1 A 74 74 GLN N N 413 118.689 118.603 0.086 1
1 791 . 18 1 1 A 75 75 ILE H H 414 8.754 8.398 0.356 1
1 792 . 18 1 1 A 75 75 ILE HA H 414 3.617 3.935 -0.318 1
1 802 . 18 1 1 A 75 75 ILE CA C 414 66.544 64.765 1.779 1
1 803 . 18 1 1 A 75 75 ILE CB C 414 38.664 37.346 1.318 1
1 807 . 18 1 1 A 75 75 ILE N N 414 121.710 120.095 1.615 1
1 808 . 18 1 1 A 76 76 ILE H H 415 8.856 8.331 0.525 1
1 809 . 18 1 1 A 76 76 ILE HA H 415 3.863 3.612 0.251 1
1 819 . 18 1 1 A 76 76 ILE CA C 415 64.701 65.324 -0.623 1
1 820 . 18 1 1 A 76 76 ILE CB C 415 37.051 37.619 -0.568 1
1 824 . 18 1 1 A 76 76 ILE N N 415 120.199 122.744 -2.545 1
1 825 . 18 1 1 A 77 77 SER H H 416 7.981 8.017 -0.036 1
1 826 . 18 1 1 A 77 77 SER HA H 416 4.153 4.194 -0.041 1
1 829 . 18 1 1 A 77 77 SER CA C 416 62.166 62.355 -0.189 1
1 830 . 18 1 1 A 77 77 SER CB C 416 62.627 63.094 -0.467 1
1 831 . 18 1 1 A 77 77 SER N N 416 114.346 116.465 -2.119 1
1 832 . 18 1 1 A 78 78 HIS H H 417 8.126 7.302 0.824 1
1 833 . 18 1 1 A 78 78 HIS HA H 417 4.154 4.404 -0.250 1
1 838 . 18 1 1 A 78 78 HIS CA C 417 60.553 59.468 1.085 1
1 839 . 18 1 1 A 78 78 HIS CB C 417 28.065 30.139 -2.074 1
1 842 . 18 1 1 A 78 78 HIS N N 417 118.878 121.093 -2.215 1
1 843 . 18 1 1 A 79 79 TRP H H 418 8.417 7.886 0.531 1
1 844 . 18 1 1 A 79 79 TRP HA H 418 4.451 4.179 0.272 1
1 853 . 18 1 1 A 79 79 TRP CA C 418 59.862 60.277 -0.415 1
1 854 . 18 1 1 A 79 79 TRP CB C 418 30.369 29.641 0.728 1
1 860 . 18 1 1 A 79 79 TRP N N 418 119.255 121.363 -2.108 1
1 862 . 18 1 1 A 80 80 LYS H H 419 8.412 8.197 0.215 1
1 863 . 18 1 1 A 80 80 LYS HA H 419 3.714 4.017 -0.303 1
1 872 . 18 1 1 A 80 80 LYS CA C 419 58.710 58.179 0.531 1
1 873 . 18 1 1 A 80 80 LYS CB C 419 32.673 32.109 0.564 1
1 877 . 18 1 1 A 80 80 LYS N N 419 115.101 118.239 -3.138 1
1 878 . 18 1 1 A 81 81 ASN H H 420 7.416 8.162 -0.746 1
1 879 . 18 1 1 A 81 81 ASN HA H 420 4.713 4.949 -0.236 1
1 884 . 18 1 1 A 81 81 ASN CA C 420 53.410 52.908 0.502 1
1 885 . 18 1 1 A 81 81 ASN CB C 420 40.737 40.746 -0.009 1
1 886 . 18 1 1 A 81 81 ASN N N 420 113.968 113.757 0.211 1
1 888 . 18 1 1 A 82 82 CYS H H 421 7.617 7.584 0.033 1
1 889 . 18 1 1 A 82 82 CYS HA H 421 3.986 4.322 -0.336 1
1 892 . 18 1 1 A 82 82 CYS CA C 421 61.244 59.501 1.743 1
1 893 . 18 1 1 A 82 82 CYS CB C 421 28.756 28.634 0.122 1
1 894 . 18 1 1 A 82 82 CYS N N 421 124.354 119.417 4.937 1
1 895 . 18 1 1 A 83 83 THR H H 422 8.535 8.711 -0.176 1
1 896 . 18 1 1 A 83 83 THR HA H 422 4.527 4.523 0.004 1
1 901 . 18 1 1 A 83 83 THR CA C 422 60.553 62.255 -1.702 1
1 902 . 18 1 1 A 83 83 THR CB C 422 69.309 72.155 -2.846 1
1 904 . 18 1 1 A 83 83 THR N N 422 118.500 117.862 0.638 1
1 905 . 18 1 1 A 84 84 ARG HA H 423 4.448 4.097 0.351 1
1 912 . 18 1 1 A 84 84 ARG CA C 423 56.175 56.912 -0.737 1
1 913 . 18 1 1 A 84 84 ARG CB C 423 31.521 31.093 0.428 1
1 916 . 18 1 1 A 85 85 HIS HA H 424 4.391 4.506 -0.115 1
1 921 . 18 1 1 A 85 85 HIS CA C 424 58.479 57.898 0.581 1
1 922 . 18 1 1 A 85 85 HIS CB C 424 30.138 29.007 1.131 1
1 925 . 18 1 1 A 86 86 ASP H H 425 7.962 8.006 -0.044 1
1 926 . 18 1 1 A 86 86 ASP HA H 425 4.525 4.701 -0.176 1
1 929 . 18 1 1 A 86 86 ASP CA C 425 51.567 53.125 -1.558 1
1 930 . 18 1 1 A 86 86 ASP CB C 425 39.585 41.522 -1.937 1
1 931 . 18 1 1 A 86 86 ASP N N 425 116.612 116.422 0.190 1
1 932 . 18 1 1 A 87 87 CYS H H 426 6.974 6.965 0.009 1
1 933 . 18 1 1 A 87 87 CYS HA H 426 4.247 4.414 -0.167 1
1 936 . 18 1 1 A 87 87 CYS CA C 426 57.558 57.817 -0.259 1
1 937 . 18 1 1 A 87 87 CYS CB C 426 31.291 28.677 2.614 1
1 938 . 18 1 1 A 87 87 CYS N N 426 122.276 120.595 1.681 1
1 939 . 18 1 1 A 88 88 PRO HA H 427 4.445 4.298 0.147 1
1 944 . 18 1 1 A 88 88 PRO CA C 427 64.009 65.474 -1.465 1
1 945 . 18 1 1 A 88 88 PRO CB C 427 32.558 31.803 0.755 1
1 947 . 18 1 1 A 89 89 VAL H H 428 8.460 7.339 1.121 1
1 948 . 18 1 1 A 89 89 VAL HA H 428 3.719 3.774 -0.055 1
1 956 . 18 1 1 A 89 89 VAL CA C 428 65.622 65.624 -0.002 1
1 957 . 18 1 1 A 89 89 VAL CB C 428 33.134 31.584 1.550 1
1 960 . 18 1 1 A 89 89 VAL N N 428 119.822 115.779 4.043 1
1 961 . 18 1 1 A 90 90 CYS H H 429 8.729 8.197 0.532 1
1 962 . 18 1 1 A 90 90 CYS HA H 429 4.225 4.278 -0.053 1
1 965 . 18 1 1 A 90 90 CYS CA C 429 63.779 62.909 0.870 1
1 966 . 18 1 1 A 90 90 CYS CB C 429 31.291 26.739 4.552 1
1 967 . 18 1 1 A 90 90 CYS N N 429 118.878 117.733 1.145 1
1 968 . 18 1 1 A 91 91 LEU H H 430 7.907 8.224 -0.317 1
1 969 . 18 1 1 A 91 91 LEU HA H 430 4.214 4.104 0.110 1
1 979 . 18 1 1 A 91 91 LEU CA C 430 60.323 60.296 0.027 1
1 980 . 18 1 1 A 91 91 LEU CB C 430 39.125 40.059 -0.934 1
1 984 . 18 1 1 A 91 91 LEU N N 430 118.878 123.255 -4.377 1
1 985 . 18 1 1 A 92 92 PRO HA H 431 4.460 4.347 0.113 1
1 992 . 18 1 1 A 92 92 PRO CA C 431 65.161 65.779 -0.618 1
1 993 . 18 1 1 A 92 92 PRO CB C 431 31.291 30.755 0.536 1
1 996 . 18 1 1 A 93 93 LEU H H 432 7.459 7.403 0.056 1
1 997 . 18 1 1 A 93 93 LEU HA H 432 4.359 3.859 0.500 1
1 1007 . 18 1 1 A 93 93 LEU CA C 432 55.945 57.445 -1.500 1
1 1008 . 18 1 1 A 93 93 LEU CB C 432 42.350 41.112 1.238 1
1 1012 . 18 1 1 A 93 93 LEU N N 432 115.290 116.504 -1.214 1
1 1013 . 18 1 1 A 94 94 LYS H H 433 7.975 8.405 -0.430 1
1 1014 . 18 1 1 A 94 94 LYS HA H 433 4.390 4.361 0.029 1
1 1022 . 18 1 1 A 94 94 LYS CA C 433 57.558 58.882 -1.324 1
1 1023 . 18 1 1 A 94 94 LYS CB C 433 33.134 32.375 0.759 1
1 1027 . 18 1 1 A 94 94 LYS N N 433 119.255 117.732 1.523 1
1 1028 . 18 1 1 A 95 95 ASN H H 434 8.368 7.787 0.581 1
1 1029 . 18 1 1 A 95 95 ASN HA H 434 4.733 4.614 0.119 1
1 1034 . 18 1 1 A 95 95 ASN CA C 434 53.410 55.821 -2.411 1
1 1035 . 18 1 1 A 95 95 ASN CB C 434 38.894 38.932 -0.038 1
1 1036 . 18 1 1 A 95 95 ASN N N 434 117.934 118.477 -0.543 1
1 1038 . 18 1 1 A 96 96 ALA H H 435 8.040 7.960 0.080 1
1 1039 . 18 1 1 A 96 96 ALA HA H 435 4.376 4.129 0.247 1
1 1043 . 18 1 1 A 96 96 ALA CA C 435 52.949 54.377 -1.428 1
1 1044 . 18 1 1 A 96 96 ALA CB C 435 19.310 18.629 0.681 1
1 1045 . 18 1 1 A 96 96 ALA N N 435 123.221 120.325 2.896 1
1 1046 . 18 1 1 A 97 97 SER H H 436 8.138 8.021 0.117 1
1 1047 . 18 1 1 A 97 97 SER HA H 436 4.450 5.112 -0.662 1
1 1050 . 18 1 1 A 97 97 SER CA C 436 58.710 56.983 1.727 1
1 1051 . 18 1 1 A 97 97 SER CB C 436 63.779 66.498 -2.719 1
1 1052 . 18 1 1 A 97 97 SER N N 436 113.591 110.738 2.853 1
1 1053 . 18 1 1 A 98 98 ASP H H 437 8.214 8.823 -0.609 1
1 1054 . 18 1 1 A 98 98 ASP HA H 437 4.662 5.200 -0.538 1
1 1057 . 18 1 1 A 98 98 ASP CA C 437 54.332 52.878 1.454 1
1 1058 . 18 1 1 A 98 98 ASP CB C 437 41.198 45.287 -4.089 1
1 1059 . 18 1 1 A 98 98 ASP N N 437 121.521 120.402 1.119 1
1 1060 . 18 1 1 A 99 99 LYS H H 438 8.062 8.759 -0.697 1
1 1061 . 18 1 1 A 99 99 LYS HA H 438 4.363 4.574 -0.211 1
1 1070 . 18 1 1 A 99 99 LYS CA C 438 55.945 55.740 0.205 1
1 1071 . 18 1 1 A 99 99 LYS CB C 438 32.720 34.507 -1.787 1
1 1075 . 18 1 1 A 99 99 LYS N N 438 121.144 122.328 -1.184 1
1 1092 . 18 2 2 B 2 2 SER HA H 783 4.524 4.139 0.385 1
1 1095 . 18 2 2 B 2 2 SER CA C 783 58.053 59.080 -1.027 1
1 1096 . 18 2 2 B 2 2 SER CB C 783 64.502 61.133 3.369 1
1 1097 . 18 2 2 B 3 3 HIS HA H 784 4.721 4.588 0.133 1
1 1102 . 18 2 2 B 3 3 HIS CA C 784 55.750 56.443 -0.693 1
1 1103 . 18 2 2 B 3 3 HIS CB C 784 30.167 30.505 -0.338 1
1 1106 . 18 2 2 B 4 4 MET HA H 785 4.495 4.996 -0.501 1
1 1114 . 18 2 2 B 4 4 MET CA C 785 55.058 53.427 1.631 1
1 1115 . 18 2 2 B 4 4 MET CB C 785 32.727 36.184 -3.457 1
1 1118 . 18 2 2 B 5 5 VAL H H 786 8.163 8.724 -0.561 1
1 1119 . 18 2 2 B 5 5 VAL HA H 786 4.464 4.846 -0.382 1
1 1127 . 18 2 2 B 5 5 VAL CA C 786 59.478 57.880 1.598 1
1 1128 . 18 2 2 B 5 5 VAL CB C 786 32.606 34.671 -2.065 1
1 1131 . 18 2 2 B 5 5 VAL N N 786 122.854 112.751 10.103 1
1 1132 . 18 2 2 B 6 6 PRO HA H 787 4.437 4.617 -0.180 1
1 1137 . 18 2 2 B 6 6 PRO CA C 787 62.667 62.240 0.427 1
1 1138 . 18 2 2 B 6 6 PRO CB C 787 32.010 33.192 -1.182 1
1 1140 . 18 2 2 B 7 7 GLU H H 788 8.306 8.641 -0.335 1
1 1141 . 18 2 2 B 7 7 GLU HA H 788 4.654 4.784 -0.130 1
1 1146 . 18 2 2 B 7 7 GLU CA C 788 53.568 52.882 0.686 1
1 1147 . 18 2 2 B 7 7 GLU CB C 788 30.011 31.052 -1.041 1
1 1149 . 18 2 2 B 7 7 GLU N N 788 123.231 120.894 2.337 1
1 1150 . 18 2 2 B 8 8 PRO HA H 789 4.490 4.546 -0.056 1
1 1157 . 18 2 2 B 8 8 PRO CA C 789 62.253 62.741 -0.488 1
1 1158 . 18 2 2 B 8 8 PRO CB C 789 32.483 32.236 0.247 1
1 1161 . 18 2 2 B 9 9 ASP H H 790 8.272 8.508 -0.236 1
1 1162 . 18 2 2 B 9 9 ASP HA H 790 4.456 4.589 -0.133 1
1 1165 . 18 2 2 B 9 9 ASP CA C 790 54.137 54.365 -0.228 1
1 1166 . 18 2 2 B 9 9 ASP CB C 790 41.016 40.675 0.341 1
1 1167 . 18 2 2 B 9 9 ASP N N 790 118.511 120.399 -1.888 1
1 1168 . 18 2 2 B 10 10 LEU H H 791 8.463 8.258 0.205 1
1 1169 . 18 2 2 B 10 10 LEU HA H 791 4.356 4.381 -0.025 1
1 1179 . 18 2 2 B 10 10 LEU CA C 791 52.531 53.380 -0.849 1
1 1180 . 18 2 2 B 10 10 LEU CB C 791 42.609 42.881 -0.272 1
1 1184 . 18 2 2 B 10 10 LEU N N 791 121.343 126.860 -5.517 1
1 1185 . 18 2 2 B 11 11 PRO HA H 792 4.553 4.516 0.037 1
1 1192 . 18 2 2 B 11 11 PRO CA C 792 62.788 63.294 -0.506 1
1 1193 . 18 2 2 B 11 11 PRO CB C 792 32.716 32.242 0.474 1
1 1196 . 18 2 2 B 12 12 HIS HA H 793 3.989 4.124 -0.135 1
1 1201 . 18 2 2 B 12 12 HIS CA C 793 60.326 60.043 0.283 1
1 1202 . 18 2 2 B 12 12 HIS CB C 793 30.803 30.224 0.579 1
1 1205 . 18 2 2 B 13 13 ASP H H 794 8.938 8.870 0.068 1
1 1206 . 18 2 2 B 13 13 ASP HA H 794 4.460 4.274 0.186 1
1 1209 . 18 2 2 B 13 13 ASP CA C 794 54.581 56.800 -2.219 1
1 1210 . 18 2 2 B 13 13 ASP CB C 794 38.061 39.611 -1.550 1
1 1211 . 18 2 2 B 13 13 ASP N N 794 114.734 118.560 -3.826 1
1 1212 . 18 2 2 B 14 14 LEU H H 795 7.674 7.722 -0.048 1
1 1213 . 18 2 2 B 14 14 LEU HA H 795 4.546 4.239 0.307 1
1 1223 . 18 2 2 B 14 14 LEU CA C 795 53.478 56.400 -2.922 1
1 1224 . 18 2 2 B 14 14 LEU CB C 795 43.597 42.015 1.582 1
1 1228 . 18 2 2 B 14 14 LEU N N 795 116.056 119.737 -3.681 1
1 1229 . 18 2 2 B 15 15 ARG H H 796 7.225 8.303 -1.078 1
1 1230 . 18 2 2 B 15 15 ARG HA H 796 3.809 3.894 -0.085 1
1 1237 . 18 2 2 B 15 15 ARG CA C 796 58.744 59.693 -0.949 1
1 1238 . 18 2 2 B 15 15 ARG CB C 796 30.413 29.807 0.606 1
1 1241 . 18 2 2 B 15 15 ARG N N 796 116.434 119.463 -3.029 1
1 1242 . 18 2 2 B 16 16 HIS HA H 797 4.703 4.148 0.555 1
1 1247 . 18 2 2 B 16 16 HIS CA C 797 55.289 59.197 -3.908 1
1 1248 . 18 2 2 B 16 16 HIS CB C 797 29.538 29.882 -0.344 1
1 1251 . 18 2 2 B 17 17 LEU H H 798 6.982 7.374 -0.392 1
1 1252 . 18 2 2 B 17 17 LEU HA H 798 4.071 3.969 0.102 1
1 1262 . 18 2 2 B 17 17 LEU CA C 798 54.807 55.371 -0.564 1
1 1263 . 18 2 2 B 17 17 LEU CB C 798 42.206 42.126 0.080 1
1 1267 . 18 2 2 B 17 17 LEU N N 798 120.399 120.262 0.137 1
1 1268 . 18 2 2 B 18 18 ASN H H 799 8.789 8.486 0.303 1
1 1269 . 18 2 2 B 18 18 ASN HA H 799 4.857 4.773 0.084 1
1 1274 . 18 2 2 B 18 18 ASN CA C 799 52.166 52.788 -0.622 1
1 1275 . 18 2 2 B 18 18 ASN CB C 799 37.842 38.783 -0.941 1
1 1276 . 18 2 2 B 18 18 ASN N N 799 121.343 123.337 -1.994 1
1 1278 . 18 2 2 B 19 19 THR H H 800 8.585 8.540 0.045 1
1 1279 . 18 2 2 B 19 19 THR HA H 800 4.522 4.325 0.197 1
1 1284 . 18 2 2 B 19 19 THR CA C 800 62.143 63.605 -1.462 1
1 1285 . 18 2 2 B 19 19 THR CB C 800 68.865 68.981 -0.116 1
1 1287 . 18 2 2 B 19 19 THR N N 800 115.301 118.141 -2.840 1
1 1288 . 18 2 2 B 20 20 GLU H H 801 8.415 7.939 0.476 1
1 1289 . 18 2 2 B 20 20 GLU HA H 801 4.337 4.106 0.231 1
1 1294 . 18 2 2 B 20 20 GLU CA C 801 61.496 61.366 0.130 1
1 1295 . 18 2 2 B 20 20 GLU CB C 801 26.493 27.297 -0.804 1
1 1297 . 18 2 2 B 20 20 GLU N N 801 125.119 122.243 2.876 1
1 1298 . 18 2 2 B 21 21 PRO HA H 802 4.422 4.275 0.147 1
1 1305 . 18 2 2 B 21 21 PRO CA C 802 64.520 65.385 -0.865 1
1 1306 . 18 2 2 B 21 21 PRO CB C 802 31.355 30.473 0.882 1
1 1309 . 18 2 2 B 22 22 MET H H 803 7.303 7.596 -0.293 1
1 1310 . 18 2 2 B 22 22 MET HA H 803 4.062 4.085 -0.023 1
1 1318 . 18 2 2 B 22 22 MET CA C 803 55.686 57.669 -1.983 1
1 1319 . 18 2 2 B 22 22 MET CB C 803 33.481 31.881 1.600 1
1 1322 . 18 2 2 B 22 22 MET N N 803 110.769 115.081 -4.312 1
1 1323 . 18 2 2 B 23 23 GLU H H 804 7.624 7.724 -0.100 1
1 1324 . 18 2 2 B 23 23 GLU HA H 804 3.918 3.985 -0.067 1
1 1329 . 18 2 2 B 23 23 GLU CA C 804 59.221 59.147 0.074 1
1 1330 . 18 2 2 B 23 23 GLU CB C 804 28.993 29.335 -0.342 1
1 1332 . 18 2 2 B 23 23 GLU N N 804 118.699 118.291 0.408 1
1 1333 . 18 2 2 B 24 24 ILE H H 805 6.626 7.184 -0.558 1
1 1334 . 18 2 2 B 24 24 ILE HA H 805 3.999 3.679 0.320 1
1 1344 . 18 2 2 B 24 24 ILE CA C 805 62.734 63.850 -1.116 1
1 1345 . 18 2 2 B 24 24 ILE CB C 805 37.574 36.954 0.620 1
1 1349 . 18 2 2 B 24 24 ILE N N 805 111.524 116.202 -4.678 1
1 1350 . 18 2 2 B 25 25 PHE H H 806 7.515 7.474 0.041 1
1 1351 . 18 2 2 B 25 25 PHE HA H 806 4.524 4.391 0.133 1
1 1358 . 18 2 2 B 25 25 PHE CA C 806 55.760 61.331 -5.571 1
1 1359 . 18 2 2 B 25 25 PHE CB C 806 38.464 38.784 -0.320 1
1 1362 . 18 2 2 B 25 25 PHE N N 806 118.322 120.989 -2.667 1
1 1363 . 18 2 2 B 26 26 ARG H H 807 7.368 8.066 -0.698 1
1 1364 . 18 2 2 B 26 26 ARG HA H 807 4.024 4.134 -0.110 1
1 1371 . 18 2 2 B 26 26 ARG CA C 807 58.864 59.021 -0.157 1
1 1372 . 18 2 2 B 26 26 ARG CB C 807 30.872 29.944 0.928 1
1 1375 . 18 2 2 B 26 26 ARG N N 807 118.888 121.603 -2.715 1
1 1376 . 18 2 2 B 27 27 ASN H H 808 8.877 8.130 0.747 1
1 1377 . 18 2 2 B 27 27 ASN HA H 808 4.732 5.016 -0.284 1
1 1382 . 18 2 2 B 27 27 ASN CA C 808 53.413 52.005 1.408 1
1 1383 . 18 2 2 B 27 27 ASN CB C 808 38.244 39.583 -1.339 1
1 1384 . 18 2 2 B 27 27 ASN N N 808 117.000 117.592 -0.592 1
1 1386 . 18 2 2 B 28 28 SER H H 809 7.969 7.958 0.011 1
1 1387 . 18 2 2 B 28 28 SER HA H 809 4.440 4.725 -0.285 1
1 1390 . 18 2 2 B 28 28 SER CA C 809 60.606 57.904 2.702 1
1 1391 . 18 2 2 B 28 28 SER CB C 809 64.021 64.537 -0.516 1
1 1392 . 18 2 2 B 28 28 SER N N 809 114.356 116.482 -2.126 1
1 1393 . 18 2 2 B 29 29 VAL HA H 810 4.304 4.776 -0.472 1
1 1401 . 18 2 2 B 29 29 VAL CA C 810 60.803 60.298 0.505 1
1 1402 . 18 2 2 B 29 29 VAL CB C 810 34.232 36.935 -2.703 1
1 1405 . 18 2 2 B 30 30 LYS H H 811 8.707 8.470 0.237 1
1 1406 . 18 2 2 B 30 30 LYS HA H 811 4.552 4.764 -0.212 1
1 1415 . 18 2 2 B 30 30 LYS CA C 811 55.058 54.939 0.119 1
1 1416 . 18 2 2 B 30 30 LYS CB C 811 31.782 33.085 -1.303 1
1 1420 . 18 2 2 B 30 30 LYS N N 811 127.196 124.027 3.169 1
1 1421 . 18 2 2 B 31 31 ILE H H 812 8.604 8.399 0.205 1
1 1422 . 18 2 2 B 31 31 ILE HA H 812 3.662 3.665 -0.003 1
1 1432 . 18 2 2 B 31 31 ILE CA C 812 64.066 65.090 -1.024 1
1 1433 . 18 2 2 B 31 31 ILE CB C 812 37.726 37.706 0.020 1
1 1437 . 18 2 2 B 31 31 ILE N N 812 125.497 124.795 0.702 1
1 1438 . 18 2 2 B 32 32 GLU H H 813 9.330 8.334 0.996 1
1 1439 . 18 2 2 B 32 32 GLU HA H 813 4.162 4.192 -0.030 1
1 1444 . 18 2 2 B 32 32 GLU CA C 813 58.096 58.522 -0.426 1
1 1445 . 18 2 2 B 32 32 GLU CB C 813 28.834 30.083 -1.249 1
1 1447 . 18 2 2 B 32 32 GLU N N 813 118.888 118.460 0.428 1
1 1448 . 18 2 2 B 33 33 GLU H H 814 7.742 7.904 -0.162 1
1 1449 . 18 2 2 B 33 33 GLU HA H 814 4.334 4.277 0.057 1
1 1454 . 18 2 2 B 33 33 GLU CA C 814 56.441 58.306 -1.865 1
1 1455 . 18 2 2 B 33 33 GLU CB C 814 30.396 29.835 0.561 1
1 1457 . 18 2 2 B 33 33 GLU N N 814 117.566 118.522 -0.956 1
1 1458 . 18 2 2 B 34 34 ILE H H 815 7.598 7.600 -0.002 1
1 1459 . 18 2 2 B 34 34 ILE HA H 815 4.216 3.726 0.490 1
1 1469 . 18 2 2 B 34 34 ILE CA C 815 61.047 65.025 -3.978 1
1 1470 . 18 2 2 B 34 34 ILE CB C 815 38.712 38.044 0.668 1
1 1474 . 18 2 2 B 34 34 ILE N N 815 117.566 118.350 -0.784 1
1 1475 . 18 2 2 B 35 35 MET H H 816 8.177 7.576 0.601 1
1 1476 . 18 2 2 B 35 35 MET HA H 816 4.733 4.477 0.256 1
1 1484 . 18 2 2 B 35 35 MET CA C 816 53.461 53.940 -0.479 1
1 1485 . 18 2 2 B 35 35 MET CB C 816 32.025 33.695 -1.670 1
1 1488 . 18 2 2 B 35 35 MET N N 816 122.665 121.071 1.594 1
1 1489 . 18 2 2 B 36 36 PRO HA H 817 4.743 4.375 0.368 1
1 1496 . 18 2 2 B 36 36 PRO CA C 817 62.542 63.637 -1.095 1
1 1497 . 18 2 2 B 36 36 PRO CB C 817 34.328 32.164 2.164 1
1 1500 . 18 2 2 B 37 37 ASN H H 818 8.374 8.152 0.222 1
1 1501 . 18 2 2 B 37 37 ASN HA H 818 4.752 4.506 0.246 1
1 1504 . 18 2 2 B 37 37 ASN CA C 818 52.995 54.855 -1.860 1
1 1505 . 18 2 2 B 37 37 ASN CB C 818 38.705 38.246 0.459 1
1 1506 . 18 2 2 B 37 37 ASN N N 818 117.378 117.799 -0.421 1
1 1507 . 18 2 2 B 38 38 GLY H H 819 8.314 8.506 -0.192 1
1 1508 . 18 2 2 B 38 38 GLY HA2 H 819 3.937 3.980 -0.043 1
1 1509 . 18 2 2 B 38 38 GLY HA3 H 819 3.994 3.981 0.013 1
1 1510 . 18 2 2 B 38 38 GLY CA C 819 45.006 47.321 -2.315 1
1 1511 . 18 2 2 B 38 38 GLY N N 819 108.881 106.047 2.834 1
1 1512 . 18 2 2 B 39 39 ASP H H 820 8.157 7.877 0.280 1
1 1513 . 18 2 2 B 39 39 ASP HA H 820 4.939 5.059 -0.120 1
1 1516 . 18 2 2 B 39 39 ASP CA C 820 51.896 50.661 1.235 1
1 1517 . 18 2 2 B 39 39 ASP CB C 820 41.672 43.448 -1.776 1
1 1518 . 18 2 2 B 39 39 ASP N N 820 121.154 118.540 2.614 1
1 1519 . 18 2 2 B 40 40 PRO HA H 821 4.483 4.327 0.156 1
1 1526 . 18 2 2 B 40 40 PRO CA C 821 63.351 65.506 -2.155 1
1 1527 . 18 2 2 B 40 40 PRO CB C 821 32.066 31.648 0.418 1
1 1530 . 18 2 2 B 41 41 LEU H H 822 8.440 7.859 0.581 1
1 1531 . 18 2 2 B 41 41 LEU HA H 822 4.262 4.076 0.186 1
1 1541 . 18 2 2 B 41 41 LEU CA C 822 55.539 56.725 -1.186 1
1 1542 . 18 2 2 B 41 41 LEU CB C 822 41.496 41.301 0.195 1
1 1546 . 18 2 2 B 41 41 LEU N N 822 119.644 118.908 0.736 1
1 1547 . 18 2 2 B 42 42 LEU H H 823 7.863 7.671 0.192 1
1 1548 . 18 2 2 B 42 42 LEU HA H 823 4.353 4.225 0.128 1
1 1558 . 18 2 2 B 42 42 LEU CA C 823 54.598 56.134 -1.536 1
1 1559 . 18 2 2 B 42 42 LEU CB C 823 42.025 41.384 0.641 1
1 1563 . 18 2 2 B 42 42 LEU N N 823 120.399 118.439 1.960 1
1 1564 . 18 2 2 B 43 43 ALA H H 824 8.022 7.781 0.241 1
1 1565 . 18 2 2 B 43 43 ALA HA H 824 4.330 4.100 0.230 1
1 1569 . 18 2 2 B 43 43 ALA CA C 824 52.539 55.410 -2.871 1
1 1570 . 18 2 2 B 43 43 ALA CB C 824 19.126 18.270 0.856 1
1 1571 . 18 2 2 B 43 43 ALA N N 824 123.420 123.177 0.243 1
1 1572 . 18 2 2 B 44 44 GLY H H 825 8.346 8.435 -0.089 1
1 1573 . 18 2 2 B 44 44 GLY HA2 H 825 3.973 3.895 0.078 1
1 1574 . 18 2 2 B 44 44 GLY HA3 H 825 3.973 3.896 0.077 1
1 1575 . 18 2 2 B 44 44 GLY CA C 825 45.123 47.010 -1.887 1
1 1576 . 18 2 2 B 44 44 GLY N N 825 107.559 105.931 1.628 1
1 1577 . 18 2 2 B 45 45 GLN H H 826 8.204 7.689 0.515 1
1 1578 . 18 2 2 B 45 45 GLN HA H 826 4.377 4.480 -0.103 1
1 1585 . 18 2 2 B 45 45 GLN CA C 826 55.686 55.945 -0.259 1
1 1586 . 18 2 2 B 45 45 GLN CB C 826 29.376 30.368 -0.992 1
1 1588 . 18 2 2 B 45 45 GLN N N 826 119.266 118.092 1.174 1
1 1590 . 18 2 2 B 46 46 ASN H H 827 8.556 8.272 0.284 1
1 1591 . 18 2 2 B 46 46 ASN HA H 827 4.824 4.545 0.279 1
1 1596 . 18 2 2 B 46 46 ASN CA C 827 53.216 54.784 -1.568 1
1 1597 . 18 2 2 B 46 46 ASN CB C 827 38.759 38.807 -0.048 1
1 1598 . 18 2 2 B 46 46 ASN N N 827 119.266 117.650 1.616 1
1 1600 . 18 2 2 B 47 47 THR H H 828 8.127 7.077 1.050 1
1 1601 . 18 2 2 B 47 47 THR HA H 828 4.414 4.412 0.002 1
1 1606 . 18 2 2 B 47 47 THR CA C 828 61.564 59.823 1.741 1
1 1607 . 18 2 2 B 47 47 THR CB C 828 69.507 70.942 -1.435 1
1 1609 . 18 2 2 B 47 47 THR N N 828 113.790 111.778 2.012 1
1 1610 . 18 2 2 B 48 48 VAL H H 829 8.140 8.307 -0.167 1
1 1611 . 18 2 2 B 48 48 VAL HA H 829 4.091 3.425 0.666 1
1 1619 . 18 2 2 B 48 48 VAL CA C 829 62.146 62.809 -0.663 1
1 1620 . 18 2 2 B 48 48 VAL CB C 829 32.515 29.285 3.230 1
1 1623 . 18 2 2 B 48 48 VAL N N 829 120.776 123.836 -3.060 1
1 1624 . 18 2 2 B 49 49 ASP H H 830 8.287 8.202 0.085 1
1 1625 . 18 2 2 B 49 49 ASP HA H 830 4.617 4.724 -0.107 1
1 1628 . 18 2 2 B 49 49 ASP CA C 830 54.308 53.664 0.644 1
1 1629 . 18 2 2 B 49 49 ASP CB C 830 41.241 41.907 -0.666 1
1 1630 . 18 2 2 B 49 49 ASP N N 830 123.042 126.868 -3.826 1
1 1631 . 18 2 2 B 50 50 GLU H H 831 8.242 8.834 -0.592 1
1 1632 . 18 2 2 B 50 50 GLU HA H 831 4.261 4.033 0.228 1
1 1637 . 18 2 2 B 50 50 GLU CA C 831 56.521 59.523 -3.002 1
1 1638 . 18 2 2 B 50 50 GLU CB C 831 30.209 29.337 0.872 1
1 1640 . 18 2 2 B 50 50 GLU N N 831 120.776 124.152 -3.376 1
1 1641 . 18 2 2 B 51 51 VAL H H 832 8.044 7.798 0.246 1
1 1642 . 18 2 2 B 51 51 VAL HA H 832 3.988 3.840 0.148 1
1 1650 . 18 2 2 B 51 51 VAL CA C 832 62.472 65.590 -3.118 1
1 1651 . 18 2 2 B 51 51 VAL CB C 832 32.278 31.234 1.044 1
1 1654 . 18 2 2 B 51 51 VAL N N 832 120.021 117.139 2.882 1
1 1655 . 18 2 2 B 52 52 TYR H H 833 8.148 7.701 0.447 1
1 1656 . 18 2 2 B 52 52 TYR HA H 833 4.598 4.211 0.387 1
1 1663 . 18 2 2 B 52 52 TYR CA C 833 57.743 61.295 -3.552 1
1 1664 . 18 2 2 B 52 52 TYR CB C 833 38.702 39.066 -0.364 1
1 1667 . 18 2 2 B 52 52 TYR N N 833 122.854 123.921 -1.067 1
1 1668 . 18 2 2 B 53 53 VAL H H 834 7.868 7.292 0.576 1
1 1669 . 18 2 2 B 53 53 VAL HA H 834 4.114 4.517 -0.403 1
1 1677 . 18 2 2 B 53 53 VAL CA C 834 61.508 60.981 0.527 1
1 1678 . 18 2 2 B 53 53 VAL CB C 834 33.010 31.900 1.110 1
1 1681 . 18 2 2 B 53 53 VAL N N 834 121.721 110.613 11.108 1
1 1682 . 18 2 2 B 54 54 SER H H 835 8.237 7.879 0.358 1
1 1683 . 18 2 2 B 54 54 SER HA H 835 4.422 4.501 -0.079 1
1 1686 . 18 2 2 B 54 54 SER CA C 835 57.823 58.575 -0.752 1
1 1687 . 18 2 2 B 54 54 SER CB C 835 63.437 62.853 0.584 1
1 1688 . 18 2 2 B 54 54 SER N N 835 119.077 117.679 1.398 1
1 1689 . 18 2 2 B 55 55 ARG H H 836 8.284 8.426 -0.142 1
1 1690 . 18 2 2 B 55 55 ARG HA H 836 4.701 4.745 -0.044 1
1 1697 . 18 2 2 B 55 55 ARG CA C 836 53.601 53.845 -0.244 1
1 1698 . 18 2 2 B 55 55 ARG CB C 836 30.394 30.735 -0.341 1
1 1701 . 18 2 2 B 55 55 ARG N N 836 123.798 126.427 -2.629 1
1 1702 . 18 2 2 B 56 56 PRO HA H 837 4.485 4.668 -0.183 1
1 1709 . 18 2 2 B 56 56 PRO CA C 837 63.351 63.206 0.145 1
1 1710 . 18 2 2 B 56 56 PRO CB C 837 31.795 32.883 -1.088 1
1 7 . 19 1 1 A 2 2 THR HA H 341 4.462 4.257 0.205 1
1 12 . 19 1 1 A 2 2 THR CA C 341 61.936 62.747 -0.811 1
1 13 . 19 1 1 A 2 2 THR CB C 341 69.770 69.755 0.015 1
1 15 . 19 1 1 A 3 3 GLY HA2 H 342 4.141 4.304 -0.163 1
1 16 . 19 1 1 A 3 3 GLY HA3 H 342 4.238 4.304 -0.066 1
1 17 . 19 1 1 A 3 3 GLY CA C 342 44.424 45.781 -1.357 1
1 18 . 19 1 1 A 4 4 PRO HA H 343 4.567 4.425 0.142 1
1 25 . 19 1 1 A 4 4 PRO CA C 343 63.088 64.955 -1.867 1
1 26 . 19 1 1 A 4 4 PRO CB C 343 32.443 31.912 0.531 1
1 29 . 19 1 1 A 5 5 THR H H 344 8.284 8.010 0.274 1
1 30 . 19 1 1 A 5 5 THR HA H 344 4.342 4.214 0.128 1
1 35 . 19 1 1 A 5 5 THR CA C 344 61.936 63.590 -1.654 1
1 36 . 19 1 1 A 5 5 THR CB C 344 69.539 68.405 1.134 1
1 38 . 19 1 1 A 5 5 THR N N 344 113.968 109.577 4.391 1
1 39 . 19 1 1 A 6 6 ALA H H 345 8.269 8.092 0.177 1
1 40 . 19 1 1 A 6 6 ALA HA H 345 4.434 4.501 -0.067 1
1 44 . 19 1 1 A 6 6 ALA CA C 345 52.028 51.473 0.555 1
1 45 . 19 1 1 A 6 6 ALA CB C 345 19.771 20.142 -0.371 1
1 46 . 19 1 1 A 6 6 ALA N N 345 126.619 122.919 3.700 1
1 47 . 19 1 1 A 7 7 ASP H H 346 8.454 7.522 0.932 1
1 48 . 19 1 1 A 7 7 ASP HA H 346 4.917 4.550 0.367 1
1 51 . 19 1 1 A 7 7 ASP CA C 346 52.719 52.129 0.590 1
1 52 . 19 1 1 A 7 7 ASP CB C 346 41.659 41.760 -0.101 1
1 53 . 19 1 1 A 7 7 ASP N N 346 120.766 121.355 -0.589 1
1 54 . 19 1 1 A 8 8 PRO HA H 347 4.398 4.309 0.089 1
1 61 . 19 1 1 A 8 8 PRO CA C 347 64.931 65.425 -0.494 1
1 62 . 19 1 1 A 8 8 PRO CB C 347 32.388 31.834 0.554 1
1 65 . 19 1 1 A 9 9 GLU H H 348 8.113 8.066 0.047 1
1 66 . 19 1 1 A 9 9 GLU HA H 348 4.154 4.089 0.065 1
1 71 . 19 1 1 A 9 9 GLU CB C 348 30.138 29.373 0.765 1
1 73 . 19 1 1 A 9 9 GLU N N 348 116.423 118.090 -1.667 1
1 74 . 19 1 1 A 10 10 LYS H H 349 7.699 8.250 -0.551 1
1 75 . 19 1 1 A 10 10 LYS HA H 349 3.982 3.987 -0.005 1
1 84 . 19 1 1 A 10 10 LYS CA C 349 60.092 59.550 0.542 1
1 85 . 19 1 1 A 10 10 LYS CB C 349 32.558 32.529 0.029 1
1 89 . 19 1 1 A 10 10 LYS N N 349 119.255 119.957 -0.702 1
1 90 . 19 1 1 A 11 11 ARG H H 350 7.845 8.167 -0.322 1
1 91 . 19 1 1 A 11 11 ARG HA H 350 3.656 3.976 -0.320 1
1 98 . 19 1 1 A 11 11 ARG CA C 350 60.092 59.303 0.789 1
1 99 . 19 1 1 A 11 11 ARG CB C 350 28.295 29.966 -1.671 1
1 102 . 19 1 1 A 11 11 ARG N N 350 117.178 119.539 -2.361 1
1 103 . 19 1 1 A 12 12 LYS H H 351 7.888 7.672 0.216 1
1 104 . 19 1 1 A 12 12 LYS HA H 351 4.198 4.221 -0.023 1
1 109 . 19 1 1 A 12 12 LYS CA C 351 59.631 58.406 1.225 1
1 110 . 19 1 1 A 12 12 LYS CB C 351 32.673 31.944 0.729 1
1 112 . 19 1 1 A 12 12 LYS N N 351 117.745 118.191 -0.446 1
1 113 . 19 1 1 A 13 13 LEU H H 352 7.696 7.904 -0.208 1
1 114 . 19 1 1 A 13 13 LEU HA H 352 4.259 4.019 0.240 1
1 124 . 19 1 1 A 13 13 LEU CA C 352 58.019 57.755 0.264 1
1 125 . 19 1 1 A 13 13 LEU CB C 352 42.120 41.918 0.202 1
1 129 . 19 1 1 A 13 13 LEU N N 352 119.444 119.717 -0.273 1
1 130 . 19 1 1 A 14 14 ILE H H 353 7.831 7.691 0.140 1
1 131 . 19 1 1 A 14 14 ILE HA H 353 3.648 3.787 -0.139 1
1 141 . 19 1 1 A 14 14 ILE CA C 353 65.392 64.275 1.117 1
1 142 . 19 1 1 A 14 14 ILE CB C 353 38.203 37.603 0.600 1
1 146 . 19 1 1 A 14 14 ILE N N 353 118.311 115.804 2.507 1
1 147 . 19 1 1 A 15 15 GLN H H 354 8.178 8.078 0.100 1
1 148 . 19 1 1 A 15 15 GLN HA H 354 3.791 3.875 -0.084 1
1 155 . 19 1 1 A 15 15 GLN CA C 354 59.631 59.267 0.364 1
1 156 . 19 1 1 A 15 15 GLN CB C 354 30.369 28.250 2.119 1
1 158 . 19 1 1 A 15 15 GLN N N 354 116.423 121.096 -4.673 1
1 160 . 19 1 1 A 16 16 GLN H H 355 8.192 7.832 0.360 1
1 161 . 19 1 1 A 16 16 GLN HA H 355 3.799 4.097 -0.298 1
1 168 . 19 1 1 A 16 16 GLN CA C 355 59.171 59.016 0.155 1
1 169 . 19 1 1 A 16 16 GLN CB C 355 28.986 28.255 0.731 1
1 171 . 19 1 1 A 16 16 GLN N N 355 117.178 118.387 -1.209 1
1 173 . 19 1 1 A 17 17 GLN H H 356 7.970 7.780 0.190 1
1 174 . 19 1 1 A 17 17 GLN HA H 356 3.136 4.014 -0.878 1
1 181 . 19 1 1 A 17 17 GLN CA C 356 60.323 58.592 1.731 1
1 182 . 19 1 1 A 17 17 GLN CB C 356 27.143 28.177 -1.034 1
1 184 . 19 1 1 A 17 17 GLN N N 356 118.311 119.698 -1.387 1
1 186 . 19 1 1 A 18 18 LEU H H 357 8.408 8.032 0.376 1
1 187 . 19 1 1 A 18 18 LEU HA H 357 3.863 4.031 -0.168 1
1 197 . 19 1 1 A 18 18 LEU CA C 357 58.710 58.378 0.332 1
1 198 . 19 1 1 A 18 18 LEU CB C 357 40.968 41.660 -0.692 1
1 202 . 19 1 1 A 18 18 LEU N N 357 117.934 121.306 -3.372 1
1 203 . 19 1 1 A 19 19 VAL H H 358 8.544 8.108 0.436 1
1 204 . 19 1 1 A 19 19 VAL HA H 358 3.479 3.443 0.036 1
1 212 . 19 1 1 A 19 19 VAL CA C 358 66.544 66.875 -0.331 1
1 213 . 19 1 1 A 19 19 VAL CB C 358 31.060 31.488 -0.428 1
1 216 . 19 1 1 A 19 19 VAL N N 358 116.423 119.116 -2.693 1
1 217 . 19 1 1 A 20 20 LEU H H 359 7.820 7.993 -0.173 1
1 218 . 19 1 1 A 20 20 LEU HA H 359 3.952 3.958 -0.006 1
1 228 . 19 1 1 A 20 20 LEU CA C 359 58.019 58.016 0.003 1
1 229 . 19 1 1 A 20 20 LEU CB C 359 42.696 41.338 1.358 1
1 233 . 19 1 1 A 20 20 LEU N N 359 120.955 120.170 0.785 1
1 234 . 19 1 1 A 21 21 LEU H H 360 8.278 8.001 0.277 1
1 235 . 19 1 1 A 21 21 LEU HA H 360 3.868 4.081 -0.213 1
1 245 . 19 1 1 A 21 21 LEU CA C 360 58.710 57.970 0.740 1
1 246 . 19 1 1 A 21 21 LEU CB C 360 42.811 41.546 1.265 1
1 250 . 19 1 1 A 21 21 LEU N N 360 121.144 119.524 1.620 1
1 251 . 19 1 1 A 22 22 LEU H H 361 8.331 8.166 0.165 1
1 252 . 19 1 1 A 22 22 LEU HA H 361 3.919 3.926 -0.007 1
1 262 . 19 1 1 A 22 22 LEU CA C 361 57.788 58.158 -0.370 1
1 263 . 19 1 1 A 22 22 LEU CB C 361 41.083 41.169 -0.086 1
1 267 . 19 1 1 A 22 22 LEU N N 361 118.500 118.010 0.490 1
1 268 . 19 1 1 A 23 23 HIS H H 362 8.620 8.476 0.144 1
1 269 . 19 1 1 A 23 23 HIS HA H 362 4.114 4.265 -0.151 1
1 274 . 19 1 1 A 23 23 HIS CA C 362 60.323 59.666 0.657 1
1 275 . 19 1 1 A 23 23 HIS CB C 362 27.834 29.673 -1.839 1
1 278 . 19 1 1 A 23 23 HIS N N 362 117.934 117.994 -0.060 1
1 279 . 19 1 1 A 24 24 ALA H H 363 9.049 8.440 0.609 1
1 280 . 19 1 1 A 24 24 ALA HA H 363 3.954 4.001 -0.047 1
1 284 . 19 1 1 A 24 24 ALA CA C 363 55.253 55.113 0.140 1
1 285 . 19 1 1 A 24 24 ALA CB C 363 19.079 17.838 1.241 1
1 286 . 19 1 1 A 24 24 ALA N N 363 121.710 120.526 1.184 1
1 287 . 19 1 1 A 25 25 HIS H H 364 7.955 7.868 0.087 1
1 288 . 19 1 1 A 25 25 HIS HA H 364 4.130 4.263 -0.133 1
1 293 . 19 1 1 A 25 25 HIS CA C 364 60.092 59.530 0.562 1
1 294 . 19 1 1 A 25 25 HIS CB C 364 31.060 29.912 1.148 1
1 297 . 19 1 1 A 25 25 HIS N N 364 115.856 118.153 -2.297 1
1 298 . 19 1 1 A 26 26 LYS H H 365 7.053 7.624 -0.571 1
1 299 . 19 1 1 A 26 26 LYS HA H 365 4.014 3.671 0.343 1
1 302 . 19 1 1 A 26 26 LYS CA C 365 57.788 59.498 -1.710 1
1 303 . 19 1 1 A 26 26 LYS CB C 365 32.903 32.032 0.871 1
1 304 . 19 1 1 A 26 26 LYS N N 365 117.178 118.519 -1.341 1
1 305 . 19 1 1 A 27 27 CYS H H 366 8.592 8.089 0.503 1
1 306 . 19 1 1 A 27 27 CYS HA H 366 3.741 3.996 -0.255 1
1 309 . 19 1 1 A 27 27 CYS CA C 366 62.396 62.209 0.187 1
1 310 . 19 1 1 A 27 27 CYS CB C 366 29.678 26.833 2.845 1
1 311 . 19 1 1 A 27 27 CYS N N 366 123.976 119.536 4.440 1
1 312 . 19 1 1 A 28 28 GLN H H 367 8.349 8.326 0.023 1
1 313 . 19 1 1 A 28 28 GLN HA H 367 4.283 3.966 0.317 1
1 320 . 19 1 1 A 28 28 GLN CA C 367 57.327 59.250 -1.923 1
1 321 . 19 1 1 A 28 28 GLN CB C 367 29.217 28.543 0.674 1
1 323 . 19 1 1 A 28 28 GLN N N 367 119.444 120.125 -0.681 1
1 325 . 19 1 1 A 29 29 ARG H H 368 7.635 7.715 -0.080 1
1 326 . 19 1 1 A 29 29 ARG HA H 368 4.169 4.035 0.134 1
1 333 . 19 1 1 A 29 29 ARG CA C 368 57.558 59.805 -2.247 1
1 334 . 19 1 1 A 29 29 ARG CB C 368 29.908 29.925 -0.017 1
1 337 . 19 1 1 A 29 29 ARG N N 368 119.444 118.273 1.171 1
1 338 . 19 1 1 A 30 30 ARG H H 369 8.018 8.038 -0.020 1
1 339 . 19 1 1 A 30 30 ARG HA H 369 4.260 4.113 0.147 1
1 346 . 19 1 1 A 30 30 ARG CA C 369 57.558 59.459 -1.901 1
1 347 . 19 1 1 A 30 30 ARG CB C 369 30.599 29.758 0.841 1
1 350 . 19 1 1 A 30 30 ARG N N 369 120.388 118.711 1.677 1
1 351 . 19 1 1 A 31 31 GLU H H 370 8.208 8.414 -0.206 1
1 352 . 19 1 1 A 31 31 GLU HA H 370 4.236 4.111 0.125 1
1 357 . 19 1 1 A 31 31 GLU CA C 370 57.788 59.053 -1.265 1
1 358 . 19 1 1 A 31 31 GLU CB C 370 30.369 29.342 1.027 1
1 360 . 19 1 1 A 31 31 GLU N N 370 120.388 119.783 0.605 1
1 361 . 19 1 1 A 32 32 GLN H H 371 8.165 7.954 0.211 1
1 362 . 19 1 1 A 32 32 GLN HA H 371 4.313 4.029 0.284 1
1 367 . 19 1 1 A 32 32 GLN CA C 371 56.636 58.974 -2.338 1
1 368 . 19 1 1 A 32 32 GLN CB C 371 29.217 28.612 0.605 1
1 370 . 19 1 1 A 32 32 GLN N N 371 118.878 118.814 0.064 1
1 371 . 19 1 1 A 33 33 ALA H H 372 8.095 7.362 0.733 1
1 372 . 19 1 1 A 33 33 ALA HA H 372 4.327 4.265 0.062 1
1 376 . 19 1 1 A 33 33 ALA CA C 372 53.180 53.222 -0.042 1
1 377 . 19 1 1 A 33 33 ALA CB C 372 19.079 18.860 0.219 1
1 378 . 19 1 1 A 33 33 ALA N N 372 123.032 120.942 2.090 1
1 379 . 19 1 1 A 34 34 ASN H H 373 8.186 7.443 0.743 1
1 380 . 19 1 1 A 34 34 ASN HA H 373 4.735 5.107 -0.372 1
1 383 . 19 1 1 A 34 34 ASN CA C 373 53.410 51.746 1.664 1
1 384 . 19 1 1 A 34 34 ASN CB C 373 38.894 41.150 -2.256 1
1 385 . 19 1 1 A 34 34 ASN N N 373 115.479 115.942 -0.463 1
1 386 . 19 1 1 A 35 35 GLY H H 374 8.266 8.583 -0.317 1
1 387 . 19 1 1 A 35 35 GLY HA2 H 374 3.943 3.849 0.094 1
1 388 . 19 1 1 A 35 35 GLY HA3 H 374 4.044 3.849 0.195 1
1 389 . 19 1 1 A 35 35 GLY CA C 374 45.576 46.956 -1.380 1
1 390 . 19 1 1 A 35 35 GLY N N 374 108.492 109.828 -1.336 1
1 391 . 19 1 1 A 36 36 GLU H H 375 8.132 7.740 0.392 1
1 392 . 19 1 1 A 36 36 GLU HA H 375 4.368 4.824 -0.456 1
1 397 . 19 1 1 A 36 36 GLU CA C 375 55.945 55.842 0.103 1
1 398 . 19 1 1 A 36 36 GLU CB C 375 30.369 33.595 -3.226 1
1 400 . 19 1 1 A 36 36 GLU N N 375 119.822 118.304 1.518 1
1 401 . 19 1 1 A 37 37 VAL H H 376 8.132 8.666 -0.534 1
1 402 . 19 1 1 A 37 37 VAL HA H 376 4.139 4.715 -0.576 1
1 410 . 19 1 1 A 37 37 VAL CA C 376 62.166 60.514 1.652 1
1 411 . 19 1 1 A 37 37 VAL CB C 376 32.673 35.680 -3.007 1
1 414 . 19 1 1 A 37 37 VAL N N 376 121.144 124.940 -3.796 1
1 415 . 19 1 1 A 38 38 ARG H H 377 8.455 8.688 -0.233 1
1 416 . 19 1 1 A 38 38 ARG HA H 377 4.392 4.668 -0.276 1
1 423 . 19 1 1 A 38 38 ARG CA C 377 55.253 55.882 -0.629 1
1 424 . 19 1 1 A 38 38 ARG CB C 377 31.060 32.242 -1.182 1
1 427 . 19 1 1 A 38 38 ARG N N 377 125.109 120.799 4.310 1
1 428 . 19 1 1 A 39 39 ALA H H 378 8.384 7.606 0.778 1
1 429 . 19 1 1 A 39 39 ALA HA H 378 4.287 4.621 -0.334 1
1 433 . 19 1 1 A 39 39 ALA CA C 378 52.028 51.623 0.405 1
1 434 . 19 1 1 A 39 39 ALA CB C 378 19.540 22.480 -2.940 1
1 435 . 19 1 1 A 39 39 ALA N N 378 126.053 119.745 6.308 1
1 436 . 19 1 1 A 40 40 CYS H H 379 8.480 8.577 -0.097 1
1 437 . 19 1 1 A 40 40 CYS HA H 379 4.344 5.032 -0.688 1
1 440 . 19 1 1 A 40 40 CYS CA C 379 60.092 57.892 2.200 1
1 441 . 19 1 1 A 40 40 CYS CB C 379 30.138 31.193 -1.055 1
1 442 . 19 1 1 A 40 40 CYS N N 379 123.787 117.024 6.763 1
1 443 . 19 1 1 A 41 41 SER HA H 380 4.588 4.411 0.177 1
1 446 . 19 1 1 A 41 41 SER CA C 380 57.788 61.094 -3.306 1
1 447 . 19 1 1 A 41 41 SER CB C 380 63.779 63.497 0.282 1
1 448 . 19 1 1 A 42 42 LEU H H 381 8.642 7.484 1.158 1
1 449 . 19 1 1 A 42 42 LEU HA H 381 4.488 4.314 0.174 1
1 459 . 19 1 1 A 42 42 LEU CA C 381 53.871 52.947 0.924 1
1 460 . 19 1 1 A 42 42 LEU CB C 381 41.659 42.344 -0.685 1
1 464 . 19 1 1 A 42 42 LEU N N 381 129.074 121.718 7.356 1
1 465 . 19 1 1 A 43 43 PRO HA H 382 4.095 4.180 -0.085 1
1 472 . 19 1 1 A 43 43 PRO CA C 382 64.470 64.754 -0.284 1
1 473 . 19 1 1 A 43 43 PRO CB C 382 31.751 31.712 0.039 1
1 476 . 19 1 1 A 44 44 HIS H H 383 8.014 8.054 -0.040 1
1 477 . 19 1 1 A 44 44 HIS HA H 383 4.527 4.938 -0.411 1
1 482 . 19 1 1 A 44 44 HIS CA C 383 58.249 55.122 3.127 1
1 483 . 19 1 1 A 44 44 HIS CB C 383 30.369 30.357 0.012 1
1 486 . 19 1 1 A 44 44 HIS N N 383 110.569 113.500 -2.931 1
1 487 . 19 1 1 A 45 45 CYS H H 384 7.729 7.763 -0.034 1
1 488 . 19 1 1 A 45 45 CYS HA H 384 4.023 3.917 0.106 1
1 491 . 19 1 1 A 45 45 CYS CA C 384 64.470 62.683 1.787 1
1 492 . 19 1 1 A 45 45 CYS CB C 384 28.756 26.664 2.092 1
1 493 . 19 1 1 A 45 45 CYS N N 384 124.165 120.756 3.409 1
1 494 . 19 1 1 A 46 46 ARG H H 385 8.239 8.130 0.109 1
1 495 . 19 1 1 A 46 46 ARG HA H 385 3.978 4.120 -0.142 1
1 502 . 19 1 1 A 46 46 ARG CA C 385 59.401 58.710 0.691 1
1 503 . 19 1 1 A 46 46 ARG CB C 385 28.986 30.450 -1.464 1
1 506 . 19 1 1 A 46 46 ARG N N 385 116.612 119.312 -2.700 1
1 507 . 19 1 1 A 47 47 THR H H 386 7.496 8.165 -0.669 1
1 508 . 19 1 1 A 47 47 THR HA H 386 4.008 3.917 0.091 1
1 513 . 19 1 1 A 47 47 THR CA C 386 65.853 67.148 -1.295 1
1 514 . 19 1 1 A 47 47 THR CB C 386 68.387 68.484 -0.097 1
1 516 . 19 1 1 A 47 47 THR N N 386 114.346 116.365 -2.019 1
1 517 . 19 1 1 A 48 48 MET H H 387 8.216 8.258 -0.042 1
1 518 . 19 1 1 A 48 48 MET HA H 387 4.622 4.029 0.593 1
1 526 . 19 1 1 A 48 48 MET CA C 387 56.636 59.269 -2.633 1
1 527 . 19 1 1 A 48 48 MET CB C 387 31.291 33.091 -1.800 1
1 530 . 19 1 1 A 48 48 MET N N 387 119.444 118.321 1.123 1
1 531 . 19 1 1 A 49 49 LYS H H 388 9.306 8.262 1.044 1
1 532 . 19 1 1 A 49 49 LYS HA H 388 3.923 3.896 0.027 1
1 541 . 19 1 1 A 49 49 LYS CA C 388 61.244 60.413 0.831 1
1 542 . 19 1 1 A 49 49 LYS CB C 388 32.903 32.399 0.504 1
1 546 . 19 1 1 A 49 49 LYS N N 388 122.276 118.313 3.963 1
1 547 . 19 1 1 A 50 50 ASN H H 389 8.069 8.028 0.041 1
1 548 . 19 1 1 A 50 50 ASN HA H 389 4.629 4.592 0.037 1
1 553 . 19 1 1 A 50 50 ASN CA C 389 56.175 56.250 -0.075 1
1 554 . 19 1 1 A 50 50 ASN CB C 389 37.512 38.221 -0.709 1
1 555 . 19 1 1 A 50 50 ASN N N 389 117.178 118.070 -0.892 1
1 557 . 19 1 1 A 51 51 VAL H H 390 8.116 7.786 0.330 1
1 558 . 19 1 1 A 51 51 VAL HA H 390 3.803 3.644 0.159 1
1 566 . 19 1 1 A 51 51 VAL CA C 390 67.235 66.649 0.586 1
1 567 . 19 1 1 A 51 51 VAL CB C 390 31.751 31.442 0.309 1
1 570 . 19 1 1 A 51 51 VAL N N 390 123.598 120.629 2.969 1
1 571 . 19 1 1 A 52 52 LEU H H 391 8.735 8.609 0.126 1
1 572 . 19 1 1 A 52 52 LEU HA H 391 4.123 3.981 0.142 1
1 582 . 19 1 1 A 52 52 LEU CA C 391 58.479 58.273 0.206 1
1 583 . 19 1 1 A 52 52 LEU CB C 391 41.659 41.411 0.248 1
1 587 . 19 1 1 A 52 52 LEU N N 391 120.955 119.163 1.792 1
1 588 . 19 1 1 A 53 53 ASN H H 392 8.231 8.537 -0.306 1
1 589 . 19 1 1 A 53 53 ASN HA H 392 4.561 4.506 0.055 1
1 594 . 19 1 1 A 53 53 ASN CA C 392 56.175 56.541 -0.366 1
1 595 . 19 1 1 A 53 53 ASN CB C 392 38.433 39.245 -0.812 1
1 596 . 19 1 1 A 53 53 ASN N N 392 116.801 117.497 -0.696 1
1 598 . 19 1 1 A 54 54 HIS H H 393 8.049 8.332 -0.283 1
1 599 . 19 1 1 A 54 54 HIS HA H 393 4.418 4.270 0.148 1
1 604 . 19 1 1 A 54 54 HIS CA C 393 59.401 60.073 -0.672 1
1 605 . 19 1 1 A 54 54 HIS CB C 393 27.604 30.145 -2.541 1
1 608 . 19 1 1 A 54 54 HIS N N 393 120.011 119.601 0.410 1
1 609 . 19 1 1 A 55 55 MET H H 394 9.118 8.613 0.505 1
1 610 . 19 1 1 A 55 55 MET HA H 394 3.704 4.000 -0.296 1
1 618 . 19 1 1 A 55 55 MET CA C 394 59.401 58.548 0.853 1
1 619 . 19 1 1 A 55 55 MET CB C 394 34.286 32.630 1.656 1
1 622 . 19 1 1 A 55 55 MET N N 394 119.066 116.901 2.165 1
1 623 . 19 1 1 A 56 56 THR H H 395 7.521 7.947 -0.426 1
1 624 . 19 1 1 A 56 56 THR HA H 395 3.915 4.249 -0.334 1
1 629 . 19 1 1 A 56 56 THR CA C 395 65.392 63.868 1.524 1
1 630 . 19 1 1 A 56 56 THR CB C 395 69.309 68.247 1.062 1
1 632 . 19 1 1 A 56 56 THR N N 395 110.758 115.033 -4.275 1
1 633 . 19 1 1 A 57 57 HIS H H 396 7.023 8.012 -0.989 1
1 634 . 19 1 1 A 57 57 HIS HA H 396 4.846 4.789 0.057 1
1 639 . 19 1 1 A 57 57 HIS CA C 396 55.023 55.684 -0.661 1
1 640 . 19 1 1 A 57 57 HIS CB C 396 30.830 31.208 -0.378 1
1 643 . 19 1 1 A 57 57 HIS N N 396 115.668 116.116 -0.448 1
1 644 . 19 1 1 A 58 58 CYS H H 397 7.134 7.281 -0.147 1
1 645 . 19 1 1 A 58 58 CYS HA H 397 4.048 4.309 -0.261 1
1 648 . 19 1 1 A 58 58 CYS CA C 397 60.784 58.360 2.424 1
1 649 . 19 1 1 A 58 58 CYS CB C 397 29.678 29.049 0.629 1
1 650 . 19 1 1 A 58 58 CYS N N 397 123.598 119.622 3.976 1
1 651 . 19 1 1 A 59 59 GLN HA H 398 4.710 4.715 -0.005 1
1 656 . 19 1 1 A 59 59 GLN CA C 398 55.023 55.673 -0.650 1
1 657 . 19 1 1 A 59 59 GLN CB C 398 29.678 30.342 -0.664 1
1 659 . 19 1 1 A 60 60 ALA H H 399 8.689 7.413 1.276 1
1 660 . 19 1 1 A 60 60 ALA HA H 399 4.414 4.264 0.150 1
1 664 . 19 1 1 A 60 60 ALA CA C 399 52.949 52.007 0.942 1
1 665 . 19 1 1 A 60 60 ALA CB C 399 20.001 19.514 0.487 1
1 666 . 19 1 1 A 60 60 ALA N N 399 124.731 122.191 2.540 1
1 667 . 19 1 1 A 61 61 GLY H H 400 8.166 8.335 -0.169 1
1 668 . 19 1 1 A 61 61 GLY HA2 H 400 3.621 3.902 -0.281 1
1 669 . 19 1 1 A 61 61 GLY HA3 H 400 3.976 3.907 0.069 1
1 670 . 19 1 1 A 61 61 GLY CA C 400 46.267 46.790 -0.523 1
1 671 . 19 1 1 A 61 61 GLY N N 400 107.926 107.863 0.063 1
1 672 . 19 1 1 A 62 62 LYS HA H 401 4.138 4.311 -0.173 1
1 673 . 19 1 1 A 62 62 LYS CA C 401 58.479 57.647 0.832 1
1 674 . 19 1 1 A 63 63 ALA H H 402 7.671 7.624 0.047 1
1 675 . 19 1 1 A 63 63 ALA HA H 402 4.448 4.525 -0.077 1
1 679 . 19 1 1 A 63 63 ALA CA C 402 51.336 51.430 -0.094 1
1 680 . 19 1 1 A 63 63 ALA CB C 402 19.079 20.698 -1.619 1
1 681 . 19 1 1 A 63 63 ALA N N 402 119.444 121.522 -2.078 1
1 682 . 19 1 1 A 64 64 CYS H H 403 7.497 7.285 0.212 1
1 683 . 19 1 1 A 64 64 CYS HA H 403 3.857 4.341 -0.484 1
1 686 . 19 1 1 A 64 64 CYS CA C 403 62.396 59.745 2.651 1
1 687 . 19 1 1 A 64 64 CYS CB C 403 29.908 28.487 1.421 1
1 688 . 19 1 1 A 64 64 CYS N N 403 121.899 118.516 3.383 1
1 689 . 19 1 1 A 65 65 GLN H H 404 9.025 8.774 0.251 1
1 690 . 19 1 1 A 65 65 GLN HA H 404 4.463 4.266 0.197 1
1 697 . 19 1 1 A 65 65 GLN CA C 404 55.673 57.669 -1.996 1
1 698 . 19 1 1 A 65 65 GLN CB C 404 29.332 29.240 0.092 1
1 700 . 19 1 1 A 65 65 GLN N N 404 128.885 123.422 5.463 1
1 702 . 19 1 1 A 66 66 VAL H H 405 9.337 7.241 2.096 1
1 703 . 19 1 1 A 66 66 VAL HA H 405 3.631 4.064 -0.433 1
1 711 . 19 1 1 A 66 66 VAL CA C 405 64.240 63.193 1.047 1
1 712 . 19 1 1 A 66 66 VAL CB C 405 30.830 31.198 -0.368 1
1 715 . 19 1 1 A 66 66 VAL N N 405 127.752 120.307 7.445 1
1 716 . 19 1 1 A 67 67 ALA H H 406 8.581 8.740 -0.159 1
1 717 . 19 1 1 A 67 67 ALA HA H 406 3.761 3.910 -0.149 1
1 721 . 19 1 1 A 67 67 ALA CA C 406 54.101 55.402 -1.301 1
1 722 . 19 1 1 A 67 67 ALA CB C 406 17.467 18.193 -0.726 1
1 723 . 19 1 1 A 67 67 ALA N N 406 133.983 129.599 4.384 1
1 724 . 19 1 1 A 68 68 HIS H H 407 8.099 7.506 0.593 1
1 725 . 19 1 1 A 68 68 HIS HA H 407 4.407 4.379 0.028 1
1 730 . 19 1 1 A 68 68 HIS CA C 407 57.327 58.467 -1.140 1
1 731 . 19 1 1 A 68 68 HIS CB C 407 29.447 30.130 -0.683 1
1 734 . 19 1 1 A 68 68 HIS N N 407 110.569 114.576 -4.007 1
1 735 . 19 1 1 A 69 69 CYS H H 408 8.086 7.627 0.459 1
1 736 . 19 1 1 A 69 69 CYS HA H 408 4.163 4.064 0.099 1
1 739 . 19 1 1 A 69 69 CYS CA C 408 64.240 62.375 1.865 1
1 740 . 19 1 1 A 69 69 CYS CB C 408 29.908 27.120 2.788 1
1 741 . 19 1 1 A 69 69 CYS N N 408 126.619 118.764 7.855 1
1 742 . 19 1 1 A 70 70 ALA H H 409 8.728 8.021 0.707 1
1 743 . 19 1 1 A 70 70 ALA HA H 409 4.333 4.069 0.264 1
1 747 . 19 1 1 A 70 70 ALA CA C 409 55.253 55.499 -0.246 1
1 748 . 19 1 1 A 70 70 ALA CB C 409 17.697 18.049 -0.352 1
1 749 . 19 1 1 A 70 70 ALA N N 409 118.689 122.919 -4.230 1
1 750 . 19 1 1 A 71 71 SER H H 410 9.179 8.114 1.065 1
1 751 . 19 1 1 A 71 71 SER HA H 410 4.138 4.110 0.028 1
1 754 . 19 1 1 A 71 71 SER CA C 410 60.323 61.955 -1.632 1
1 755 . 19 1 1 A 71 71 SER CB C 410 61.244 62.873 -1.629 1
1 756 . 19 1 1 A 71 71 SER N N 410 114.535 113.924 0.611 1
1 757 . 19 1 1 A 72 72 SER H H 411 7.937 8.225 -0.288 1
1 758 . 19 1 1 A 72 72 SER HA H 411 4.048 4.236 -0.188 1
1 762 . 19 1 1 A 72 72 SER CA C 411 64.240 61.440 2.800 1
1 763 . 19 1 1 A 72 72 SER CB C 411 62.396 62.855 -0.459 1
1 764 . 19 1 1 A 72 72 SER N N 411 120.766 117.143 3.623 1
1 765 . 19 1 1 A 73 73 ARG H H 412 8.835 8.186 0.649 1
1 766 . 19 1 1 A 73 73 ARG HA H 412 3.855 4.057 -0.202 1
1 773 . 19 1 1 A 73 73 ARG CA C 412 60.323 59.804 0.519 1
1 774 . 19 1 1 A 73 73 ARG CB C 412 30.369 30.066 0.303 1
1 777 . 19 1 1 A 73 73 ARG N N 412 122.276 121.997 0.279 1
1 778 . 19 1 1 A 74 74 GLN H H 413 7.873 7.455 0.418 1
1 779 . 19 1 1 A 74 74 GLN HA H 413 4.182 4.176 0.006 1
1 786 . 19 1 1 A 74 74 GLN CA C 413 58.710 58.661 0.049 1
1 787 . 19 1 1 A 74 74 GLN CB C 413 29.447 28.384 1.063 1
1 789 . 19 1 1 A 74 74 GLN N N 413 118.689 119.086 -0.397 1
1 791 . 19 1 1 A 75 75 ILE H H 414 8.754 8.219 0.535 1
1 792 . 19 1 1 A 75 75 ILE HA H 414 3.617 3.876 -0.259 1
1 802 . 19 1 1 A 75 75 ILE CA C 414 66.544 64.708 1.836 1
1 803 . 19 1 1 A 75 75 ILE CB C 414 38.664 37.626 1.038 1
1 807 . 19 1 1 A 75 75 ILE N N 414 121.710 119.688 2.022 1
1 808 . 19 1 1 A 76 76 ILE H H 415 8.856 8.329 0.527 1
1 809 . 19 1 1 A 76 76 ILE HA H 415 3.863 3.680 0.183 1
1 819 . 19 1 1 A 76 76 ILE CA C 415 64.701 65.227 -0.526 1
1 820 . 19 1 1 A 76 76 ILE CB C 415 37.051 37.345 -0.294 1
1 824 . 19 1 1 A 76 76 ILE N N 415 120.199 122.737 -2.538 1
1 825 . 19 1 1 A 77 77 SER H H 416 7.981 7.704 0.277 1
1 826 . 19 1 1 A 77 77 SER HA H 416 4.153 4.188 -0.035 1
1 829 . 19 1 1 A 77 77 SER CA C 416 62.166 62.062 0.104 1
1 830 . 19 1 1 A 77 77 SER CB C 416 62.627 63.126 -0.499 1
1 831 . 19 1 1 A 77 77 SER N N 416 114.346 116.255 -1.909 1
1 832 . 19 1 1 A 78 78 HIS H H 417 8.126 7.465 0.661 1
1 833 . 19 1 1 A 78 78 HIS HA H 417 4.154 4.431 -0.277 1
1 838 . 19 1 1 A 78 78 HIS CA C 417 60.553 59.511 1.042 1
1 839 . 19 1 1 A 78 78 HIS CB C 417 28.065 30.259 -2.194 1
1 842 . 19 1 1 A 78 78 HIS N N 417 118.878 121.174 -2.296 1
1 843 . 19 1 1 A 79 79 TRP H H 418 8.417 7.889 0.528 1
1 844 . 19 1 1 A 79 79 TRP HA H 418 4.451 4.205 0.246 1
1 853 . 19 1 1 A 79 79 TRP CA C 418 59.862 60.333 -0.471 1
1 854 . 19 1 1 A 79 79 TRP CB C 418 30.369 29.816 0.553 1
1 860 . 19 1 1 A 79 79 TRP N N 418 119.255 121.474 -2.219 1
1 862 . 19 1 1 A 80 80 LYS H H 419 8.412 8.101 0.311 1
1 863 . 19 1 1 A 80 80 LYS HA H 419 3.714 4.027 -0.313 1
1 872 . 19 1 1 A 80 80 LYS CA C 419 58.710 58.306 0.404 1
1 873 . 19 1 1 A 80 80 LYS CB C 419 32.673 32.227 0.446 1
1 877 . 19 1 1 A 80 80 LYS N N 419 115.101 118.192 -3.091 1
1 878 . 19 1 1 A 81 81 ASN H H 420 7.416 7.726 -0.310 1
1 879 . 19 1 1 A 81 81 ASN HA H 420 4.713 4.741 -0.028 1
1 884 . 19 1 1 A 81 81 ASN CA C 420 53.410 53.948 -0.538 1
1 885 . 19 1 1 A 81 81 ASN CB C 420 40.737 41.346 -0.609 1
1 886 . 19 1 1 A 81 81 ASN N N 420 113.968 114.853 -0.885 1
1 888 . 19 1 1 A 82 82 CYS H H 421 7.617 7.531 0.086 1
1 889 . 19 1 1 A 82 82 CYS HA H 421 3.986 4.277 -0.291 1
1 892 . 19 1 1 A 82 82 CYS CA C 421 61.244 60.099 1.145 1
1 893 . 19 1 1 A 82 82 CYS CB C 421 28.756 27.805 0.951 1
1 894 . 19 1 1 A 82 82 CYS N N 421 124.354 118.325 6.029 1
1 895 . 19 1 1 A 83 83 THR H H 422 8.535 8.499 0.036 1
1 896 . 19 1 1 A 83 83 THR HA H 422 4.527 4.643 -0.116 1
1 901 . 19 1 1 A 83 83 THR CA C 422 60.553 61.156 -0.603 1
1 902 . 19 1 1 A 83 83 THR CB C 422 69.309 70.696 -1.387 1
1 904 . 19 1 1 A 83 83 THR N N 422 118.500 116.443 2.057 1
1 905 . 19 1 1 A 84 84 ARG HA H 423 4.448 4.110 0.338 1
1 912 . 19 1 1 A 84 84 ARG CA C 423 56.175 56.476 -0.301 1
1 913 . 19 1 1 A 84 84 ARG CB C 423 31.521 31.274 0.247 1
1 916 . 19 1 1 A 85 85 HIS HA H 424 4.391 4.477 -0.086 1
1 921 . 19 1 1 A 85 85 HIS CA C 424 58.479 58.155 0.324 1
1 922 . 19 1 1 A 85 85 HIS CB C 424 30.138 29.098 1.040 1
1 925 . 19 1 1 A 86 86 ASP H H 425 7.962 8.072 -0.110 1
1 926 . 19 1 1 A 86 86 ASP HA H 425 4.525 4.687 -0.162 1
1 929 . 19 1 1 A 86 86 ASP CA C 425 51.567 53.133 -1.566 1
1 930 . 19 1 1 A 86 86 ASP CB C 425 39.585 41.521 -1.936 1
1 931 . 19 1 1 A 86 86 ASP N N 425 116.612 116.383 0.229 1
1 932 . 19 1 1 A 87 87 CYS H H 426 6.974 7.008 -0.034 1
1 933 . 19 1 1 A 87 87 CYS HA H 426 4.247 4.447 -0.200 1
1 936 . 19 1 1 A 87 87 CYS CA C 426 57.558 57.810 -0.252 1
1 937 . 19 1 1 A 87 87 CYS CB C 426 31.291 28.814 2.477 1
1 938 . 19 1 1 A 87 87 CYS N N 426 122.276 120.821 1.455 1
1 939 . 19 1 1 A 88 88 PRO HA H 427 4.445 4.305 0.140 1
1 944 . 19 1 1 A 88 88 PRO CA C 427 64.009 65.331 -1.322 1
1 945 . 19 1 1 A 88 88 PRO CB C 427 32.558 31.926 0.632 1
1 947 . 19 1 1 A 89 89 VAL H H 428 8.460 7.310 1.150 1
1 948 . 19 1 1 A 89 89 VAL HA H 428 3.719 3.782 -0.063 1
1 956 . 19 1 1 A 89 89 VAL CA C 428 65.622 65.516 0.106 1
1 957 . 19 1 1 A 89 89 VAL CB C 428 33.134 31.519 1.615 1
1 960 . 19 1 1 A 89 89 VAL N N 428 119.822 115.860 3.962 1
1 961 . 19 1 1 A 90 90 CYS H H 429 8.729 8.198 0.531 1
1 962 . 19 1 1 A 90 90 CYS HA H 429 4.225 4.269 -0.044 1
1 965 . 19 1 1 A 90 90 CYS CA C 429 63.779 63.238 0.541 1
1 966 . 19 1 1 A 90 90 CYS CB C 429 31.291 27.016 4.275 1
1 967 . 19 1 1 A 90 90 CYS N N 429 118.878 117.920 0.958 1
1 968 . 19 1 1 A 91 91 LEU H H 430 7.907 8.158 -0.251 1
1 969 . 19 1 1 A 91 91 LEU HA H 430 4.214 4.109 0.105 1
1 979 . 19 1 1 A 91 91 LEU CA C 430 60.323 60.172 0.151 1
1 980 . 19 1 1 A 91 91 LEU CB C 430 39.125 40.301 -1.176 1
1 984 . 19 1 1 A 91 91 LEU N N 430 118.878 122.908 -4.030 1
1 985 . 19 1 1 A 92 92 PRO HA H 431 4.460 4.346 0.114 1
1 992 . 19 1 1 A 92 92 PRO CA C 431 65.161 65.687 -0.526 1
1 993 . 19 1 1 A 92 92 PRO CB C 431 31.291 30.768 0.523 1
1 996 . 19 1 1 A 93 93 LEU H H 432 7.459 7.355 0.104 1
1 997 . 19 1 1 A 93 93 LEU HA H 432 4.359 3.865 0.494 1
1 1007 . 19 1 1 A 93 93 LEU CA C 432 55.945 57.416 -1.471 1
1 1008 . 19 1 1 A 93 93 LEU CB C 432 42.350 40.893 1.457 1
1 1012 . 19 1 1 A 93 93 LEU N N 432 115.290 116.354 -1.064 1
1 1013 . 19 1 1 A 94 94 LYS H H 433 7.975 8.633 -0.658 1
1 1014 . 19 1 1 A 94 94 LYS HA H 433 4.390 4.164 0.226 1
1 1022 . 19 1 1 A 94 94 LYS CA C 433 57.558 60.054 -2.496 1
1 1023 . 19 1 1 A 94 94 LYS CB C 433 33.134 32.217 0.917 1
1 1027 . 19 1 1 A 94 94 LYS N N 433 119.255 118.209 1.046 1
1 1028 . 19 1 1 A 95 95 ASN H H 434 8.368 8.172 0.196 1
1 1029 . 19 1 1 A 95 95 ASN HA H 434 4.733 4.501 0.232 1
1 1034 . 19 1 1 A 95 95 ASN CA C 434 53.410 56.018 -2.608 1
1 1035 . 19 1 1 A 95 95 ASN CB C 434 38.894 38.445 0.449 1
1 1036 . 19 1 1 A 95 95 ASN N N 434 117.934 118.002 -0.068 1
1 1038 . 19 1 1 A 96 96 ALA H H 435 8.040 8.343 -0.303 1
1 1039 . 19 1 1 A 96 96 ALA HA H 435 4.376 4.138 0.238 1
1 1043 . 19 1 1 A 96 96 ALA CA C 435 52.949 54.298 -1.349 1
1 1044 . 19 1 1 A 96 96 ALA CB C 435 19.310 18.477 0.833 1
1 1045 . 19 1 1 A 96 96 ALA N N 435 123.221 122.167 1.054 1
1 1046 . 19 1 1 A 97 97 SER H H 436 8.138 7.612 0.526 1
1 1047 . 19 1 1 A 97 97 SER HA H 436 4.450 4.598 -0.148 1
1 1050 . 19 1 1 A 97 97 SER CA C 436 58.710 57.471 1.239 1
1 1051 . 19 1 1 A 97 97 SER CB C 436 63.779 64.398 -0.619 1
1 1052 . 19 1 1 A 97 97 SER N N 436 113.591 108.970 4.621 1
1 1053 . 19 1 1 A 98 98 ASP H H 437 8.214 7.956 0.258 1
1 1054 . 19 1 1 A 98 98 ASP HA H 437 4.662 5.023 -0.361 1
1 1057 . 19 1 1 A 98 98 ASP CA C 437 54.332 53.617 0.715 1
1 1058 . 19 1 1 A 98 98 ASP CB C 437 41.198 42.257 -1.059 1
1 1059 . 19 1 1 A 98 98 ASP N N 437 121.521 121.034 0.487 1
1 1060 . 19 1 1 A 99 99 LYS H H 438 8.062 7.705 0.357 1
1 1061 . 19 1 1 A 99 99 LYS HA H 438 4.363 3.946 0.417 1
1 1070 . 19 1 1 A 99 99 LYS CA C 438 55.945 59.579 -3.634 1
1 1071 . 19 1 1 A 99 99 LYS CB C 438 32.720 32.292 0.428 1
1 1075 . 19 1 1 A 99 99 LYS N N 438 121.144 119.426 1.718 1
1 1092 . 19 2 2 B 2 2 SER HA H 783 4.524 4.613 -0.089 1
1 1095 . 19 2 2 B 2 2 SER CA C 783 58.053 56.908 1.145 1
1 1096 . 19 2 2 B 2 2 SER CB C 783 64.502 64.597 -0.095 1
1 1097 . 19 2 2 B 3 3 HIS HA H 784 4.721 4.952 -0.231 1
1 1102 . 19 2 2 B 3 3 HIS CA C 784 55.750 55.544 0.206 1
1 1103 . 19 2 2 B 3 3 HIS CB C 784 30.167 31.000 -0.833 1
1 1106 . 19 2 2 B 4 4 MET HA H 785 4.495 4.572 -0.077 1
1 1114 . 19 2 2 B 4 4 MET CA C 785 55.058 54.885 0.173 1
1 1115 . 19 2 2 B 4 4 MET CB C 785 32.727 33.558 -0.831 1
1 1118 . 19 2 2 B 5 5 VAL H H 786 8.163 7.373 0.790 1
1 1119 . 19 2 2 B 5 5 VAL HA H 786 4.464 4.707 -0.243 1
1 1127 . 19 2 2 B 5 5 VAL CA C 786 59.478 58.162 1.316 1
1 1128 . 19 2 2 B 5 5 VAL CB C 786 32.606 34.275 -1.669 1
1 1131 . 19 2 2 B 5 5 VAL N N 786 122.854 114.449 8.405 1
1 1132 . 19 2 2 B 6 6 PRO HA H 787 4.437 4.521 -0.084 1
1 1137 . 19 2 2 B 6 6 PRO CA C 787 62.667 63.816 -1.149 1
1 1138 . 19 2 2 B 6 6 PRO CB C 787 32.010 32.023 -0.013 1
1 1140 . 19 2 2 B 7 7 GLU H H 788 8.306 7.656 0.650 1
1 1141 . 19 2 2 B 7 7 GLU HA H 788 4.654 4.810 -0.156 1
1 1146 . 19 2 2 B 7 7 GLU CA C 788 53.568 53.630 -0.062 1
1 1147 . 19 2 2 B 7 7 GLU CB C 788 30.011 32.648 -2.637 1
1 1149 . 19 2 2 B 7 7 GLU N N 788 123.231 121.407 1.824 1
1 1150 . 19 2 2 B 8 8 PRO HA H 789 4.490 4.473 0.017 1
1 1157 . 19 2 2 B 8 8 PRO CA C 789 62.253 62.565 -0.312 1
1 1158 . 19 2 2 B 8 8 PRO CB C 789 32.483 32.380 0.103 1
1 1161 . 19 2 2 B 9 9 ASP H H 790 8.272 8.500 -0.228 1
1 1162 . 19 2 2 B 9 9 ASP HA H 790 4.456 4.580 -0.124 1
1 1165 . 19 2 2 B 9 9 ASP CA C 790 54.137 54.273 -0.136 1
1 1166 . 19 2 2 B 9 9 ASP CB C 790 41.016 40.635 0.381 1
1 1167 . 19 2 2 B 9 9 ASP N N 790 118.511 120.174 -1.663 1
1 1168 . 19 2 2 B 10 10 LEU H H 791 8.463 8.254 0.209 1
1 1169 . 19 2 2 B 10 10 LEU HA H 791 4.356 4.367 -0.011 1
1 1179 . 19 2 2 B 10 10 LEU CA C 791 52.531 53.345 -0.814 1
1 1180 . 19 2 2 B 10 10 LEU CB C 791 42.609 42.796 -0.187 1
1 1184 . 19 2 2 B 10 10 LEU N N 791 121.343 126.667 -5.324 1
1 1185 . 19 2 2 B 11 11 PRO HA H 792 4.553 4.523 0.030 1
1 1192 . 19 2 2 B 11 11 PRO CA C 792 62.788 63.303 -0.515 1
1 1193 . 19 2 2 B 11 11 PRO CB C 792 32.716 32.194 0.522 1
1 1196 . 19 2 2 B 12 12 HIS HA H 793 3.989 4.170 -0.181 1
1 1201 . 19 2 2 B 12 12 HIS CA C 793 60.326 60.223 0.103 1
1 1202 . 19 2 2 B 12 12 HIS CB C 793 30.803 30.582 0.221 1
1 1205 . 19 2 2 B 13 13 ASP H H 794 8.938 8.894 0.044 1
1 1206 . 19 2 2 B 13 13 ASP HA H 794 4.460 4.299 0.161 1
1 1209 . 19 2 2 B 13 13 ASP CA C 794 54.581 56.663 -2.082 1
1 1210 . 19 2 2 B 13 13 ASP CB C 794 38.061 39.461 -1.400 1
1 1211 . 19 2 2 B 13 13 ASP N N 794 114.734 118.732 -3.998 1
1 1212 . 19 2 2 B 14 14 LEU H H 795 7.674 7.726 -0.052 1
1 1213 . 19 2 2 B 14 14 LEU HA H 795 4.546 4.243 0.303 1
1 1223 . 19 2 2 B 14 14 LEU CA C 795 53.478 56.100 -2.622 1
1 1224 . 19 2 2 B 14 14 LEU CB C 795 43.597 42.060 1.537 1
1 1228 . 19 2 2 B 14 14 LEU N N 795 116.056 119.828 -3.772 1
1 1229 . 19 2 2 B 15 15 ARG H H 796 7.225 8.254 -1.029 1
1 1230 . 19 2 2 B 15 15 ARG HA H 796 3.809 3.875 -0.066 1
1 1237 . 19 2 2 B 15 15 ARG CA C 796 58.744 59.607 -0.863 1
1 1238 . 19 2 2 B 15 15 ARG CB C 796 30.413 29.925 0.488 1
1 1241 . 19 2 2 B 15 15 ARG N N 796 116.434 119.491 -3.057 1
1 1242 . 19 2 2 B 16 16 HIS HA H 797 4.703 4.444 0.259 1
1 1247 . 19 2 2 B 16 16 HIS CA C 797 55.289 58.322 -3.033 1
1 1248 . 19 2 2 B 16 16 HIS CB C 797 29.538 29.972 -0.434 1
1 1251 . 19 2 2 B 17 17 LEU H H 798 6.982 7.282 -0.300 1
1 1252 . 19 2 2 B 17 17 LEU HA H 798 4.071 4.089 -0.018 1
1 1262 . 19 2 2 B 17 17 LEU CA C 798 54.807 55.234 -0.427 1
1 1263 . 19 2 2 B 17 17 LEU CB C 798 42.206 42.387 -0.181 1
1 1267 . 19 2 2 B 17 17 LEU N N 798 120.399 120.299 0.100 1
1 1268 . 19 2 2 B 18 18 ASN H H 799 8.789 8.631 0.158 1
1 1269 . 19 2 2 B 18 18 ASN HA H 799 4.857 4.854 0.003 1
1 1274 . 19 2 2 B 18 18 ASN CA C 799 52.166 52.638 -0.472 1
1 1275 . 19 2 2 B 18 18 ASN CB C 799 37.842 38.420 -0.578 1
1 1276 . 19 2 2 B 18 18 ASN N N 799 121.343 122.988 -1.645 1
1 1278 . 19 2 2 B 19 19 THR H H 800 8.585 8.544 0.041 1
1 1279 . 19 2 2 B 19 19 THR HA H 800 4.522 4.350 0.172 1
1 1284 . 19 2 2 B 19 19 THR CA C 800 62.143 63.740 -1.597 1
1 1285 . 19 2 2 B 19 19 THR CB C 800 68.865 69.027 -0.162 1
1 1287 . 19 2 2 B 19 19 THR N N 800 115.301 118.053 -2.752 1
1 1288 . 19 2 2 B 20 20 GLU H H 801 8.415 8.257 0.158 1
1 1289 . 19 2 2 B 20 20 GLU HA H 801 4.337 4.108 0.229 1
1 1294 . 19 2 2 B 20 20 GLU CA C 801 61.496 62.492 -0.996 1
1 1295 . 19 2 2 B 20 20 GLU CB C 801 26.493 27.883 -1.390 1
1 1297 . 19 2 2 B 20 20 GLU N N 801 125.119 123.190 1.929 1
1 1298 . 19 2 2 B 21 21 PRO HA H 802 4.422 4.318 0.104 1
1 1305 . 19 2 2 B 21 21 PRO CA C 802 64.520 65.074 -0.554 1
1 1306 . 19 2 2 B 21 21 PRO CB C 802 31.355 30.925 0.430 1
1 1309 . 19 2 2 B 22 22 MET H H 803 7.303 7.605 -0.302 1
1 1310 . 19 2 2 B 22 22 MET HA H 803 4.062 4.076 -0.014 1
1 1318 . 19 2 2 B 22 22 MET CA C 803 55.686 57.661 -1.975 1
1 1319 . 19 2 2 B 22 22 MET CB C 803 33.481 31.919 1.562 1
1 1322 . 19 2 2 B 22 22 MET N N 803 110.769 116.197 -5.428 1
1 1323 . 19 2 2 B 23 23 GLU H H 804 7.624 7.695 -0.071 1
1 1324 . 19 2 2 B 23 23 GLU HA H 804 3.918 3.952 -0.034 1
1 1329 . 19 2 2 B 23 23 GLU CA C 804 59.221 59.109 0.112 1
1 1330 . 19 2 2 B 23 23 GLU CB C 804 28.993 29.331 -0.338 1
1 1332 . 19 2 2 B 23 23 GLU N N 804 118.699 118.291 0.408 1
1 1333 . 19 2 2 B 24 24 ILE H H 805 6.626 7.184 -0.558 1
1 1334 . 19 2 2 B 24 24 ILE HA H 805 3.999 3.705 0.294 1
1 1344 . 19 2 2 B 24 24 ILE CA C 805 62.734 63.951 -1.217 1
1 1345 . 19 2 2 B 24 24 ILE CB C 805 37.574 36.958 0.616 1
1 1349 . 19 2 2 B 24 24 ILE N N 805 111.524 116.277 -4.753 1
1 1350 . 19 2 2 B 25 25 PHE H H 806 7.515 7.368 0.147 1
1 1351 . 19 2 2 B 25 25 PHE HA H 806 4.524 4.378 0.146 1
1 1358 . 19 2 2 B 25 25 PHE CA C 806 55.760 61.475 -5.715 1
1 1359 . 19 2 2 B 25 25 PHE CB C 806 38.464 38.680 -0.216 1
1 1362 . 19 2 2 B 25 25 PHE N N 806 118.322 121.031 -2.709 1
1 1363 . 19 2 2 B 26 26 ARG H H 807 7.368 7.743 -0.375 1
1 1364 . 19 2 2 B 26 26 ARG HA H 807 4.024 4.111 -0.087 1
1 1371 . 19 2 2 B 26 26 ARG CA C 807 58.864 59.033 -0.169 1
1 1372 . 19 2 2 B 26 26 ARG CB C 807 30.872 30.012 0.860 1
1 1375 . 19 2 2 B 26 26 ARG N N 807 118.888 121.323 -2.435 1
1 1376 . 19 2 2 B 27 27 ASN H H 808 8.877 8.137 0.740 1
1 1377 . 19 2 2 B 27 27 ASN HA H 808 4.732 4.990 -0.258 1
1 1382 . 19 2 2 B 27 27 ASN CA C 808 53.413 52.024 1.389 1
1 1383 . 19 2 2 B 27 27 ASN CB C 808 38.244 39.026 -0.782 1
1 1384 . 19 2 2 B 27 27 ASN N N 808 117.000 113.290 3.710 1
1 1386 . 19 2 2 B 28 28 SER H H 809 7.969 7.896 0.073 1
1 1387 . 19 2 2 B 28 28 SER HA H 809 4.440 4.738 -0.298 1
1 1390 . 19 2 2 B 28 28 SER CA C 809 60.606 57.929 2.677 1
1 1391 . 19 2 2 B 28 28 SER CB C 809 64.021 64.495 -0.474 1
1 1392 . 19 2 2 B 28 28 SER N N 809 114.356 115.111 -0.755 1
1 1393 . 19 2 2 B 29 29 VAL HA H 810 4.304 4.755 -0.451 1
1 1401 . 19 2 2 B 29 29 VAL CA C 810 60.803 60.175 0.628 1
1 1402 . 19 2 2 B 29 29 VAL CB C 810 34.232 36.866 -2.634 1
1 1405 . 19 2 2 B 30 30 LYS H H 811 8.707 8.483 0.224 1
1 1406 . 19 2 2 B 30 30 LYS HA H 811 4.552 4.763 -0.211 1
1 1415 . 19 2 2 B 30 30 LYS CA C 811 55.058 54.913 0.145 1
1 1416 . 19 2 2 B 30 30 LYS CB C 811 31.782 32.857 -1.075 1
1 1420 . 19 2 2 B 30 30 LYS N N 811 127.196 123.644 3.552 1
1 1421 . 19 2 2 B 31 31 ILE H H 812 8.604 8.338 0.266 1
1 1422 . 19 2 2 B 31 31 ILE HA H 812 3.662 3.707 -0.045 1
1 1432 . 19 2 2 B 31 31 ILE CA C 812 64.066 64.935 -0.869 1
1 1433 . 19 2 2 B 31 31 ILE CB C 812 37.726 37.577 0.149 1
1 1437 . 19 2 2 B 31 31 ILE N N 812 125.497 124.381 1.116 1
1 1438 . 19 2 2 B 32 32 GLU H H 813 9.330 8.189 1.141 1
1 1439 . 19 2 2 B 32 32 GLU HA H 813 4.162 4.147 0.015 1
1 1444 . 19 2 2 B 32 32 GLU CA C 813 58.096 58.328 -0.232 1
1 1445 . 19 2 2 B 32 32 GLU CB C 813 28.834 30.227 -1.393 1
1 1447 . 19 2 2 B 32 32 GLU N N 813 118.888 118.724 0.164 1
1 1448 . 19 2 2 B 33 33 GLU H H 814 7.742 7.832 -0.090 1
1 1449 . 19 2 2 B 33 33 GLU HA H 814 4.334 4.406 -0.072 1
1 1454 . 19 2 2 B 33 33 GLU CA C 814 56.441 57.508 -1.067 1
1 1455 . 19 2 2 B 33 33 GLU CB C 814 30.396 30.451 -0.055 1
1 1457 . 19 2 2 B 33 33 GLU N N 814 117.566 117.527 0.039 1
1 1458 . 19 2 2 B 34 34 ILE H H 815 7.598 7.655 -0.057 1
1 1459 . 19 2 2 B 34 34 ILE HA H 815 4.216 3.752 0.464 1
1 1469 . 19 2 2 B 34 34 ILE CA C 815 61.047 64.936 -3.889 1
1 1470 . 19 2 2 B 34 34 ILE CB C 815 38.712 38.207 0.505 1
1 1474 . 19 2 2 B 34 34 ILE N N 815 117.566 118.321 -0.755 1
1 1475 . 19 2 2 B 35 35 MET H H 816 8.177 7.522 0.655 1
1 1476 . 19 2 2 B 35 35 MET HA H 816 4.733 4.522 0.211 1
1 1484 . 19 2 2 B 35 35 MET CA C 816 53.461 53.901 -0.440 1
1 1485 . 19 2 2 B 35 35 MET CB C 816 32.025 33.691 -1.666 1
1 1488 . 19 2 2 B 35 35 MET N N 816 122.665 121.387 1.278 1
1 1489 . 19 2 2 B 36 36 PRO HA H 817 4.743 4.372 0.371 1
1 1496 . 19 2 2 B 36 36 PRO CA C 817 62.542 64.055 -1.513 1
1 1497 . 19 2 2 B 36 36 PRO CB C 817 34.328 31.892 2.436 1
1 1500 . 19 2 2 B 37 37 ASN H H 818 8.374 8.046 0.328 1
1 1501 . 19 2 2 B 37 37 ASN HA H 818 4.752 4.403 0.349 1
1 1504 . 19 2 2 B 37 37 ASN CA C 818 52.995 53.989 -0.994 1
1 1505 . 19 2 2 B 37 37 ASN CB C 818 38.705 37.062 1.643 1
1 1506 . 19 2 2 B 37 37 ASN N N 818 117.378 116.853 0.525 1
1 1507 . 19 2 2 B 38 38 GLY H H 819 8.314 8.252 0.062 1
1 1508 . 19 2 2 B 38 38 GLY HA2 H 819 3.937 4.040 -0.103 1
1 1509 . 19 2 2 B 38 38 GLY HA3 H 819 3.994 4.041 -0.047 1
1 1510 . 19 2 2 B 38 38 GLY CA C 819 45.006 46.348 -1.342 1
1 1511 . 19 2 2 B 38 38 GLY N N 819 108.881 106.566 2.315 1
1 1512 . 19 2 2 B 39 39 ASP H H 820 8.157 7.879 0.278 1
1 1513 . 19 2 2 B 39 39 ASP HA H 820 4.939 5.012 -0.073 1
1 1516 . 19 2 2 B 39 39 ASP CA C 820 51.896 51.068 0.828 1
1 1517 . 19 2 2 B 39 39 ASP CB C 820 41.672 44.413 -2.741 1
1 1518 . 19 2 2 B 39 39 ASP N N 820 121.154 116.867 4.287 1
1 1519 . 19 2 2 B 40 40 PRO HA H 821 4.483 4.365 0.118 1
1 1526 . 19 2 2 B 40 40 PRO CA C 821 63.351 64.678 -1.327 1
1 1527 . 19 2 2 B 40 40 PRO CB C 821 32.066 32.039 0.027 1
1 1530 . 19 2 2 B 41 41 LEU H H 822 8.440 7.603 0.837 1
1 1531 . 19 2 2 B 41 41 LEU HA H 822 4.262 4.045 0.217 1
1 1541 . 19 2 2 B 41 41 LEU CA C 822 55.539 57.215 -1.676 1
1 1542 . 19 2 2 B 41 41 LEU CB C 822 41.496 40.832 0.664 1
1 1546 . 19 2 2 B 41 41 LEU N N 822 119.644 118.726 0.918 1
1 1547 . 19 2 2 B 42 42 LEU H H 823 7.863 7.926 -0.063 1
1 1548 . 19 2 2 B 42 42 LEU HA H 823 4.353 3.964 0.389 1
1 1558 . 19 2 2 B 42 42 LEU CA C 823 54.598 57.620 -3.022 1
1 1559 . 19 2 2 B 42 42 LEU CB C 823 42.025 41.679 0.346 1
1 1563 . 19 2 2 B 42 42 LEU N N 823 120.399 119.886 0.513 1
1 1564 . 19 2 2 B 43 43 ALA H H 824 8.022 8.348 -0.326 1
1 1565 . 19 2 2 B 43 43 ALA HA H 824 4.330 4.075 0.255 1
1 1569 . 19 2 2 B 43 43 ALA CA C 824 52.539 55.393 -2.854 1
1 1570 . 19 2 2 B 43 43 ALA CB C 824 19.126 18.276 0.850 1
1 1571 . 19 2 2 B 43 43 ALA N N 824 123.420 120.932 2.488 1
1 1572 . 19 2 2 B 44 44 GLY H H 825 8.346 8.174 0.172 1
1 1573 . 19 2 2 B 44 44 GLY HA2 H 825 3.973 3.988 -0.015 1
1 1574 . 19 2 2 B 44 44 GLY HA3 H 825 3.973 3.988 -0.015 1
1 1575 . 19 2 2 B 44 44 GLY CA C 825 45.123 46.661 -1.538 1
1 1576 . 19 2 2 B 44 44 GLY N N 825 107.559 105.252 2.307 1
1 1577 . 19 2 2 B 45 45 GLN H H 826 8.204 8.093 0.111 1
1 1578 . 19 2 2 B 45 45 GLN HA H 826 4.377 4.485 -0.108 1
1 1585 . 19 2 2 B 45 45 GLN CA C 826 55.686 54.934 0.752 1
1 1586 . 19 2 2 B 45 45 GLN CB C 826 29.376 29.968 -0.592 1
1 1588 . 19 2 2 B 45 45 GLN N N 826 119.266 117.650 1.616 1
1 1590 . 19 2 2 B 46 46 ASN H H 827 8.556 7.491 1.065 1
1 1591 . 19 2 2 B 46 46 ASN HA H 827 4.824 4.986 -0.162 1
1 1596 . 19 2 2 B 46 46 ASN CA C 827 53.216 51.350 1.866 1
1 1597 . 19 2 2 B 46 46 ASN CB C 827 38.759 41.217 -2.458 1
1 1598 . 19 2 2 B 46 46 ASN N N 827 119.266 118.756 0.510 1
1 1600 . 19 2 2 B 47 47 THR H H 828 8.127 8.618 -0.491 1
1 1601 . 19 2 2 B 47 47 THR HA H 828 4.414 4.159 0.255 1
1 1606 . 19 2 2 B 47 47 THR CA C 828 61.564 63.761 -2.197 1
1 1607 . 19 2 2 B 47 47 THR CB C 828 69.507 68.218 1.289 1
1 1609 . 19 2 2 B 47 47 THR N N 828 113.790 115.368 -1.578 1
1 1610 . 19 2 2 B 48 48 VAL H H 829 8.140 8.078 0.062 1
1 1611 . 19 2 2 B 48 48 VAL HA H 829 4.091 4.969 -0.878 1
1 1619 . 19 2 2 B 48 48 VAL CA C 829 62.146 59.248 2.898 1
1 1620 . 19 2 2 B 48 48 VAL CB C 829 32.515 35.993 -3.478 1
1 1623 . 19 2 2 B 48 48 VAL N N 829 120.776 121.008 -0.232 1
1 1624 . 19 2 2 B 49 49 ASP H H 830 8.287 8.964 -0.677 1
1 1625 . 19 2 2 B 49 49 ASP HA H 830 4.617 5.063 -0.446 1
1 1628 . 19 2 2 B 49 49 ASP CA C 830 54.308 55.352 -1.044 1
1 1629 . 19 2 2 B 49 49 ASP CB C 830 41.241 40.859 0.382 1
1 1630 . 19 2 2 B 49 49 ASP N N 830 123.042 121.221 1.821 1
1 1631 . 19 2 2 B 50 50 GLU H H 831 8.242 9.129 -0.887 1
1 1632 . 19 2 2 B 50 50 GLU HA H 831 4.261 4.063 0.198 1
1 1637 . 19 2 2 B 50 50 GLU CA C 831 56.521 59.204 -2.683 1
1 1638 . 19 2 2 B 50 50 GLU CB C 831 30.209 29.294 0.915 1
1 1640 . 19 2 2 B 50 50 GLU N N 831 120.776 121.250 -0.474 1
1 1641 . 19 2 2 B 51 51 VAL H H 832 8.044 8.160 -0.116 1
1 1642 . 19 2 2 B 51 51 VAL HA H 832 3.988 3.920 0.068 1
1 1650 . 19 2 2 B 51 51 VAL CA C 832 62.472 64.330 -1.858 1
1 1651 . 19 2 2 B 51 51 VAL CB C 832 32.278 31.548 0.730 1
1 1654 . 19 2 2 B 51 51 VAL N N 832 120.021 119.398 0.623 1
1 1655 . 19 2 2 B 52 52 TYR H H 833 8.148 7.552 0.596 1
1 1656 . 19 2 2 B 52 52 TYR HA H 833 4.598 4.864 -0.266 1
1 1663 . 19 2 2 B 52 52 TYR CA C 833 57.743 57.638 0.105 1
1 1664 . 19 2 2 B 52 52 TYR CB C 833 38.702 40.615 -1.913 1
1 1667 . 19 2 2 B 52 52 TYR N N 833 122.854 116.397 6.457 1
1 1668 . 19 2 2 B 53 53 VAL H H 834 7.868 7.677 0.191 1
1 1669 . 19 2 2 B 53 53 VAL HA H 834 4.114 3.015 1.099 1
1 1677 . 19 2 2 B 53 53 VAL CA C 834 61.508 64.094 -2.586 1
1 1678 . 19 2 2 B 53 53 VAL CB C 834 33.010 32.078 0.932 1
1 1681 . 19 2 2 B 53 53 VAL N N 834 121.721 121.795 -0.074 1
1 1682 . 19 2 2 B 54 54 SER H H 835 8.237 7.591 0.646 1
1 1683 . 19 2 2 B 54 54 SER HA H 835 4.422 4.526 -0.104 1
1 1686 . 19 2 2 B 54 54 SER CA C 835 57.823 57.288 0.535 1
1 1687 . 19 2 2 B 54 54 SER CB C 835 63.437 65.335 -1.898 1
1 1688 . 19 2 2 B 54 54 SER N N 835 119.077 111.709 7.368 1
1 1689 . 19 2 2 B 55 55 ARG H H 836 8.284 8.592 -0.308 1
1 1690 . 19 2 2 B 55 55 ARG HA H 836 4.701 4.339 0.362 1
1 1697 . 19 2 2 B 55 55 ARG CA C 836 53.601 54.266 -0.665 1
1 1698 . 19 2 2 B 55 55 ARG CB C 836 30.394 31.048 -0.654 1
1 1701 . 19 2 2 B 55 55 ARG N N 836 123.798 122.454 1.344 1
1 1702 . 19 2 2 B 56 56 PRO HA H 837 4.485 4.358 0.127 1
1 1709 . 19 2 2 B 56 56 PRO CA C 837 63.351 64.427 -1.076 1
1 1710 . 19 2 2 B 56 56 PRO CB C 837 31.795 32.026 -0.231 1
1 7 . 20 1 1 A 2 2 THR HA H 341 4.462 4.118 0.344 1
1 12 . 20 1 1 A 2 2 THR CA C 341 61.936 63.139 -1.203 1
1 13 . 20 1 1 A 2 2 THR CB C 341 69.770 69.789 -0.019 1
1 15 . 20 1 1 A 3 3 GLY HA2 H 342 4.141 3.920 0.221 1
1 16 . 20 1 1 A 3 3 GLY HA3 H 342 4.238 3.921 0.317 1
1 17 . 20 1 1 A 3 3 GLY CA C 342 44.424 47.028 -2.604 1
1 18 . 20 1 1 A 4 4 PRO HA H 343 4.567 4.366 0.201 1
1 25 . 20 1 1 A 4 4 PRO CA C 343 63.088 64.986 -1.898 1
1 26 . 20 1 1 A 4 4 PRO CB C 343 32.443 31.695 0.748 1
1 29 . 20 1 1 A 5 5 THR H H 344 8.284 8.071 0.213 1
1 30 . 20 1 1 A 5 5 THR HA H 344 4.342 4.342 0.000 1
1 35 . 20 1 1 A 5 5 THR CA C 344 61.936 62.184 -0.248 1
1 36 . 20 1 1 A 5 5 THR CB C 344 69.539 69.486 0.053 1
1 38 . 20 1 1 A 5 5 THR N N 344 113.968 109.937 4.031 1
1 39 . 20 1 1 A 6 6 ALA H H 345 8.269 7.562 0.707 1
1 40 . 20 1 1 A 6 6 ALA HA H 345 4.434 4.524 -0.090 1
1 44 . 20 1 1 A 6 6 ALA CA C 345 52.028 52.550 -0.522 1
1 45 . 20 1 1 A 6 6 ALA CB C 345 19.771 21.407 -1.636 1
1 46 . 20 1 1 A 6 6 ALA N N 345 126.619 123.444 3.175 1
1 47 . 20 1 1 A 7 7 ASP H H 346 8.454 8.269 0.185 1
1 48 . 20 1 1 A 7 7 ASP HA H 346 4.917 4.331 0.586 1
1 51 . 20 1 1 A 7 7 ASP CA C 346 52.719 54.763 -2.044 1
1 52 . 20 1 1 A 7 7 ASP CB C 346 41.659 39.297 2.362 1
1 53 . 20 1 1 A 7 7 ASP N N 346 120.766 117.562 3.204 1
1 54 . 20 1 1 A 8 8 PRO HA H 347 4.398 4.337 0.061 1
1 61 . 20 1 1 A 8 8 PRO CA C 347 64.931 65.529 -0.598 1
1 62 . 20 1 1 A 8 8 PRO CB C 347 32.388 31.832 0.556 1
1 65 . 20 1 1 A 9 9 GLU H H 348 8.113 8.132 -0.019 1
1 66 . 20 1 1 A 9 9 GLU HA H 348 4.154 4.088 0.066 1
1 71 . 20 1 1 A 9 9 GLU CB C 348 30.138 29.357 0.781 1
1 73 . 20 1 1 A 9 9 GLU N N 348 116.423 118.075 -1.652 1
1 74 . 20 1 1 A 10 10 LYS H H 349 7.699 7.988 -0.289 1
1 75 . 20 1 1 A 10 10 LYS HA H 349 3.982 3.994 -0.012 1
1 84 . 20 1 1 A 10 10 LYS CA C 349 60.092 59.590 0.502 1
1 85 . 20 1 1 A 10 10 LYS CB C 349 32.558 32.280 0.278 1
1 89 . 20 1 1 A 10 10 LYS N N 349 119.255 119.891 -0.636 1
1 90 . 20 1 1 A 11 11 ARG H H 350 7.845 8.130 -0.285 1
1 91 . 20 1 1 A 11 11 ARG HA H 350 3.656 3.913 -0.257 1
1 98 . 20 1 1 A 11 11 ARG CA C 350 60.092 59.127 0.965 1
1 99 . 20 1 1 A 11 11 ARG CB C 350 28.295 29.980 -1.685 1
1 102 . 20 1 1 A 11 11 ARG N N 350 117.178 119.344 -2.166 1
1 103 . 20 1 1 A 12 12 LYS H H 351 7.888 7.717 0.171 1
1 104 . 20 1 1 A 12 12 LYS HA H 351 4.198 4.205 -0.007 1
1 109 . 20 1 1 A 12 12 LYS CA C 351 59.631 59.313 0.318 1
1 110 . 20 1 1 A 12 12 LYS CB C 351 32.673 32.048 0.625 1
1 112 . 20 1 1 A 12 12 LYS N N 351 117.745 119.534 -1.789 1
1 113 . 20 1 1 A 13 13 LEU H H 352 7.696 7.628 0.068 1
1 114 . 20 1 1 A 13 13 LEU HA H 352 4.259 4.099 0.160 1
1 124 . 20 1 1 A 13 13 LEU CA C 352 58.019 57.779 0.240 1
1 125 . 20 1 1 A 13 13 LEU CB C 352 42.120 41.785 0.335 1
1 129 . 20 1 1 A 13 13 LEU N N 352 119.444 117.880 1.564 1
1 130 . 20 1 1 A 14 14 ILE H H 353 7.831 7.880 -0.049 1
1 131 . 20 1 1 A 14 14 ILE HA H 353 3.648 3.789 -0.141 1
1 141 . 20 1 1 A 14 14 ILE CA C 353 65.392 64.268 1.124 1
1 142 . 20 1 1 A 14 14 ILE CB C 353 38.203 37.673 0.530 1
1 146 . 20 1 1 A 14 14 ILE N N 353 118.311 115.675 2.636 1
1 147 . 20 1 1 A 15 15 GLN H H 354 8.178 8.119 0.059 1
1 148 . 20 1 1 A 15 15 GLN HA H 354 3.791 3.879 -0.088 1
1 155 . 20 1 1 A 15 15 GLN CA C 354 59.631 59.104 0.527 1
1 156 . 20 1 1 A 15 15 GLN CB C 354 30.369 27.978 2.391 1
1 158 . 20 1 1 A 15 15 GLN N N 354 116.423 121.125 -4.702 1
1 160 . 20 1 1 A 16 16 GLN H H 355 8.192 8.181 0.011 1
1 161 . 20 1 1 A 16 16 GLN HA H 355 3.799 4.055 -0.256 1
1 168 . 20 1 1 A 16 16 GLN CA C 355 59.171 59.177 -0.006 1
1 169 . 20 1 1 A 16 16 GLN CB C 355 28.986 28.388 0.598 1
1 171 . 20 1 1 A 16 16 GLN N N 355 117.178 118.832 -1.654 1
1 173 . 20 1 1 A 17 17 GLN H H 356 7.970 7.568 0.402 1
1 174 . 20 1 1 A 17 17 GLN HA H 356 3.136 4.048 -0.912 1
1 181 . 20 1 1 A 17 17 GLN CA C 356 60.323 58.611 1.712 1
1 182 . 20 1 1 A 17 17 GLN CB C 356 27.143 28.201 -1.058 1
1 184 . 20 1 1 A 17 17 GLN N N 356 118.311 119.674 -1.363 1
1 186 . 20 1 1 A 18 18 LEU H H 357 8.408 8.118 0.290 1
1 187 . 20 1 1 A 18 18 LEU HA H 357 3.863 3.984 -0.121 1
1 197 . 20 1 1 A 18 18 LEU CA C 357 58.710 58.335 0.375 1
1 198 . 20 1 1 A 18 18 LEU CB C 357 40.968 41.913 -0.945 1
1 202 . 20 1 1 A 18 18 LEU N N 357 117.934 121.137 -3.203 1
1 203 . 20 1 1 A 19 19 VAL H H 358 8.544 8.269 0.275 1
1 204 . 20 1 1 A 19 19 VAL HA H 358 3.479 3.446 0.033 1
1 212 . 20 1 1 A 19 19 VAL CA C 358 66.544 66.870 -0.326 1
1 213 . 20 1 1 A 19 19 VAL CB C 358 31.060 31.269 -0.209 1
1 216 . 20 1 1 A 19 19 VAL N N 358 116.423 119.130 -2.707 1
1 217 . 20 1 1 A 20 20 LEU H H 359 7.820 8.005 -0.185 1
1 218 . 20 1 1 A 20 20 LEU HA H 359 3.952 3.953 -0.001 1
1 228 . 20 1 1 A 20 20 LEU CA C 359 58.019 58.016 0.003 1
1 229 . 20 1 1 A 20 20 LEU CB C 359 42.696 41.339 1.357 1
1 233 . 20 1 1 A 20 20 LEU N N 359 120.955 120.112 0.843 1
1 234 . 20 1 1 A 21 21 LEU H H 360 8.278 8.035 0.243 1
1 235 . 20 1 1 A 21 21 LEU HA H 360 3.868 4.095 -0.227 1
1 245 . 20 1 1 A 21 21 LEU CA C 360 58.710 58.052 0.658 1
1 246 . 20 1 1 A 21 21 LEU CB C 360 42.811 41.607 1.204 1
1 250 . 20 1 1 A 21 21 LEU N N 360 121.144 119.538 1.606 1
1 251 . 20 1 1 A 22 22 LEU H H 361 8.331 8.235 0.096 1
1 252 . 20 1 1 A 22 22 LEU HA H 361 3.919 3.975 -0.056 1
1 262 . 20 1 1 A 22 22 LEU CA C 361 57.788 58.034 -0.246 1
1 263 . 20 1 1 A 22 22 LEU CB C 361 41.083 41.353 -0.270 1
1 267 . 20 1 1 A 22 22 LEU N N 361 118.500 118.064 0.436 1
1 268 . 20 1 1 A 23 23 HIS H H 362 8.620 8.413 0.207 1
1 269 . 20 1 1 A 23 23 HIS HA H 362 4.114 4.275 -0.161 1
1 274 . 20 1 1 A 23 23 HIS CA C 362 60.323 59.599 0.724 1
1 275 . 20 1 1 A 23 23 HIS CB C 362 27.834 29.753 -1.919 1
1 278 . 20 1 1 A 23 23 HIS N N 362 117.934 117.885 0.049 1
1 279 . 20 1 1 A 24 24 ALA H H 363 9.049 8.448 0.601 1
1 280 . 20 1 1 A 24 24 ALA HA H 363 3.954 3.971 -0.017 1
1 284 . 20 1 1 A 24 24 ALA CA C 363 55.253 55.146 0.107 1
1 285 . 20 1 1 A 24 24 ALA CB C 363 19.079 18.278 0.801 1
1 286 . 20 1 1 A 24 24 ALA N N 363 121.710 120.618 1.092 1
1 287 . 20 1 1 A 25 25 HIS H H 364 7.955 7.836 0.119 1
1 288 . 20 1 1 A 25 25 HIS HA H 364 4.130 4.308 -0.178 1
1 293 . 20 1 1 A 25 25 HIS CA C 364 60.092 59.415 0.677 1
1 294 . 20 1 1 A 25 25 HIS CB C 364 31.060 29.765 1.295 1
1 297 . 20 1 1 A 25 25 HIS N N 364 115.856 117.879 -2.023 1
1 298 . 20 1 1 A 26 26 LYS H H 365 7.053 7.763 -0.710 1
1 299 . 20 1 1 A 26 26 LYS HA H 365 4.014 3.712 0.302 1
1 302 . 20 1 1 A 26 26 LYS CA C 365 57.788 59.135 -1.347 1
1 303 . 20 1 1 A 26 26 LYS CB C 365 32.903 31.848 1.055 1
1 304 . 20 1 1 A 26 26 LYS N N 365 117.178 116.827 0.351 1
1 305 . 20 1 1 A 27 27 CYS H H 366 8.592 8.066 0.526 1
1 306 . 20 1 1 A 27 27 CYS HA H 366 3.741 3.982 -0.241 1
1 309 . 20 1 1 A 27 27 CYS CA C 366 62.396 62.284 0.112 1
1 310 . 20 1 1 A 27 27 CYS CB C 366 29.678 26.767 2.911 1
1 311 . 20 1 1 A 27 27 CYS N N 366 123.976 119.190 4.786 1
1 312 . 20 1 1 A 28 28 GLN H H 367 8.349 8.309 0.040 1
1 313 . 20 1 1 A 28 28 GLN HA H 367 4.283 3.953 0.330 1
1 320 . 20 1 1 A 28 28 GLN CA C 367 57.327 59.199 -1.872 1
1 321 . 20 1 1 A 28 28 GLN CB C 367 29.217 28.481 0.736 1
1 323 . 20 1 1 A 28 28 GLN N N 367 119.444 120.012 -0.568 1
1 325 . 20 1 1 A 29 29 ARG H H 368 7.635 7.832 -0.197 1
1 326 . 20 1 1 A 29 29 ARG HA H 368 4.169 4.053 0.116 1
1 333 . 20 1 1 A 29 29 ARG CA C 368 57.558 59.549 -1.991 1
1 334 . 20 1 1 A 29 29 ARG CB C 368 29.908 29.767 0.141 1
1 337 . 20 1 1 A 29 29 ARG N N 368 119.444 118.890 0.554 1
1 338 . 20 1 1 A 30 30 ARG H H 369 8.018 8.045 -0.027 1
1 339 . 20 1 1 A 30 30 ARG HA H 369 4.260 4.066 0.194 1
1 346 . 20 1 1 A 30 30 ARG CA C 369 57.558 59.612 -2.054 1
1 347 . 20 1 1 A 30 30 ARG CB C 369 30.599 29.870 0.729 1
1 350 . 20 1 1 A 30 30 ARG N N 369 120.388 118.820 1.568 1
1 351 . 20 1 1 A 31 31 GLU H H 370 8.208 8.061 0.147 1
1 352 . 20 1 1 A 31 31 GLU HA H 370 4.236 4.051 0.185 1
1 357 . 20 1 1 A 31 31 GLU CA C 370 57.788 59.480 -1.692 1
1 358 . 20 1 1 A 31 31 GLU CB C 370 30.369 29.068 1.301 1
1 360 . 20 1 1 A 31 31 GLU N N 370 120.388 119.435 0.953 1
1 361 . 20 1 1 A 32 32 GLN H H 371 8.165 8.263 -0.098 1
1 362 . 20 1 1 A 32 32 GLN HA H 371 4.313 4.096 0.217 1
1 367 . 20 1 1 A 32 32 GLN CA C 371 56.636 58.301 -1.665 1
1 368 . 20 1 1 A 32 32 GLN CB C 371 29.217 28.742 0.475 1
1 370 . 20 1 1 A 32 32 GLN N N 371 118.878 119.355 -0.477 1
1 371 . 20 1 1 A 33 33 ALA H H 372 8.095 7.445 0.650 1
1 372 . 20 1 1 A 33 33 ALA HA H 372 4.327 4.176 0.151 1
1 376 . 20 1 1 A 33 33 ALA CA C 372 53.180 53.911 -0.731 1
1 377 . 20 1 1 A 33 33 ALA CB C 372 19.079 18.381 0.698 1
1 378 . 20 1 1 A 33 33 ALA N N 372 123.032 121.311 1.721 1
1 379 . 20 1 1 A 34 34 ASN H H 373 8.186 8.099 0.087 1
1 380 . 20 1 1 A 34 34 ASN HA H 373 4.735 4.978 -0.243 1
1 383 . 20 1 1 A 34 34 ASN CA C 373 53.410 54.404 -0.994 1
1 384 . 20 1 1 A 34 34 ASN CB C 373 38.894 41.181 -2.287 1
1 385 . 20 1 1 A 34 34 ASN N N 373 115.479 115.963 -0.484 1
1 386 . 20 1 1 A 35 35 GLY H H 374 8.266 8.826 -0.560 1
1 387 . 20 1 1 A 35 35 GLY HA2 H 374 3.943 3.969 -0.026 1
1 388 . 20 1 1 A 35 35 GLY HA3 H 374 4.044 3.970 0.074 1
1 389 . 20 1 1 A 35 35 GLY CA C 374 45.576 45.471 0.105 1
1 390 . 20 1 1 A 35 35 GLY N N 374 108.492 107.311 1.181 1
1 391 . 20 1 1 A 36 36 GLU H H 375 8.132 8.022 0.110 1
1 392 . 20 1 1 A 36 36 GLU HA H 375 4.368 4.470 -0.102 1
1 397 . 20 1 1 A 36 36 GLU CA C 375 55.945 55.455 0.490 1
1 398 . 20 1 1 A 36 36 GLU CB C 375 30.369 30.863 -0.494 1
1 400 . 20 1 1 A 36 36 GLU N N 375 119.822 119.384 0.438 1
1 401 . 20 1 1 A 37 37 VAL H H 376 8.132 7.504 0.628 1
1 402 . 20 1 1 A 37 37 VAL HA H 376 4.139 3.958 0.181 1
1 410 . 20 1 1 A 37 37 VAL CA C 376 62.166 62.690 -0.524 1
1 411 . 20 1 1 A 37 37 VAL CB C 376 32.673 33.128 -0.455 1
1 414 . 20 1 1 A 37 37 VAL N N 376 121.144 122.050 -0.906 1
1 415 . 20 1 1 A 38 38 ARG H H 377 8.455 8.437 0.018 1
1 416 . 20 1 1 A 38 38 ARG HA H 377 4.392 4.427 -0.035 1
1 423 . 20 1 1 A 38 38 ARG CA C 377 55.253 55.784 -0.531 1
1 424 . 20 1 1 A 38 38 ARG CB C 377 31.060 30.926 0.134 1
1 427 . 20 1 1 A 38 38 ARG N N 377 125.109 126.905 -1.796 1
1 428 . 20 1 1 A 39 39 ALA H H 378 8.384 8.651 -0.267 1
1 429 . 20 1 1 A 39 39 ALA HA H 378 4.287 4.403 -0.116 1
1 433 . 20 1 1 A 39 39 ALA CA C 378 52.028 52.384 -0.356 1
1 434 . 20 1 1 A 39 39 ALA CB C 378 19.540 19.180 0.360 1
1 435 . 20 1 1 A 39 39 ALA N N 378 126.053 123.646 2.407 1
1 436 . 20 1 1 A 40 40 CYS H H 379 8.480 8.870 -0.390 1
1 437 . 20 1 1 A 40 40 CYS HA H 379 4.344 4.357 -0.013 1
1 440 . 20 1 1 A 40 40 CYS CA C 379 60.092 61.411 -1.319 1
1 441 . 20 1 1 A 40 40 CYS CB C 379 30.138 27.576 2.562 1
1 442 . 20 1 1 A 40 40 CYS N N 379 123.787 120.436 3.351 1
1 443 . 20 1 1 A 41 41 SER HA H 380 4.588 4.628 -0.040 1
1 446 . 20 1 1 A 41 41 SER CA C 380 57.788 57.642 0.146 1
1 447 . 20 1 1 A 41 41 SER CB C 380 63.779 65.166 -1.387 1
1 448 . 20 1 1 A 42 42 LEU H H 381 8.642 6.924 1.718 1
1 449 . 20 1 1 A 42 42 LEU HA H 381 4.488 4.296 0.192 1
1 459 . 20 1 1 A 42 42 LEU CA C 381 53.871 53.439 0.432 1
1 460 . 20 1 1 A 42 42 LEU CB C 381 41.659 42.274 -0.615 1
1 464 . 20 1 1 A 42 42 LEU N N 381 129.074 124.828 4.246 1
1 465 . 20 1 1 A 43 43 PRO HA H 382 4.095 4.140 -0.045 1
1 472 . 20 1 1 A 43 43 PRO CA C 382 64.470 64.631 -0.161 1
1 473 . 20 1 1 A 43 43 PRO CB C 382 31.751 31.526 0.225 1
1 476 . 20 1 1 A 44 44 HIS H H 383 8.014 8.052 -0.038 1
1 477 . 20 1 1 A 44 44 HIS HA H 383 4.527 4.954 -0.427 1
1 482 . 20 1 1 A 44 44 HIS CA C 383 58.249 55.100 3.149 1
1 483 . 20 1 1 A 44 44 HIS CB C 383 30.369 30.120 0.249 1
1 486 . 20 1 1 A 44 44 HIS N N 383 110.569 113.412 -2.843 1
1 487 . 20 1 1 A 45 45 CYS H H 384 7.729 7.687 0.042 1
1 488 . 20 1 1 A 45 45 CYS HA H 384 4.023 3.928 0.095 1
1 491 . 20 1 1 A 45 45 CYS CA C 384 64.470 62.626 1.844 1
1 492 . 20 1 1 A 45 45 CYS CB C 384 28.756 26.582 2.174 1
1 493 . 20 1 1 A 45 45 CYS N N 384 124.165 120.705 3.460 1
1 494 . 20 1 1 A 46 46 ARG H H 385 8.239 8.094 0.145 1
1 495 . 20 1 1 A 46 46 ARG HA H 385 3.978 4.117 -0.139 1
1 502 . 20 1 1 A 46 46 ARG CA C 385 59.401 58.763 0.638 1
1 503 . 20 1 1 A 46 46 ARG CB C 385 28.986 30.000 -1.014 1
1 506 . 20 1 1 A 46 46 ARG N N 385 116.612 119.517 -2.905 1
1 507 . 20 1 1 A 47 47 THR H H 386 7.496 8.185 -0.689 1
1 508 . 20 1 1 A 47 47 THR HA H 386 4.008 3.899 0.109 1
1 513 . 20 1 1 A 47 47 THR CA C 386 65.853 67.125 -1.272 1
1 514 . 20 1 1 A 47 47 THR CB C 386 68.387 68.487 -0.100 1
1 516 . 20 1 1 A 47 47 THR N N 386 114.346 116.429 -2.083 1
1 517 . 20 1 1 A 48 48 MET H H 387 8.216 8.038 0.178 1
1 518 . 20 1 1 A 48 48 MET HA H 387 4.622 4.044 0.578 1
1 526 . 20 1 1 A 48 48 MET CA C 387 56.636 59.190 -2.554 1
1 527 . 20 1 1 A 48 48 MET CB C 387 31.291 32.928 -1.637 1
1 530 . 20 1 1 A 48 48 MET N N 387 119.444 118.315 1.129 1
1 531 . 20 1 1 A 49 49 LYS H H 388 9.306 8.229 1.077 1
1 532 . 20 1 1 A 49 49 LYS HA H 388 3.923 3.934 -0.011 1
1 541 . 20 1 1 A 49 49 LYS CA C 388 61.244 60.320 0.924 1
1 542 . 20 1 1 A 49 49 LYS CB C 388 32.903 32.383 0.520 1
1 546 . 20 1 1 A 49 49 LYS N N 388 122.276 117.658 4.618 1
1 547 . 20 1 1 A 50 50 ASN H H 389 8.069 8.122 -0.053 1
1 548 . 20 1 1 A 50 50 ASN HA H 389 4.629 4.605 0.024 1
1 553 . 20 1 1 A 50 50 ASN CA C 389 56.175 56.240 -0.065 1
1 554 . 20 1 1 A 50 50 ASN CB C 389 37.512 38.193 -0.681 1
1 555 . 20 1 1 A 50 50 ASN N N 389 117.178 118.166 -0.988 1
1 557 . 20 1 1 A 51 51 VAL H H 390 8.116 7.813 0.303 1
1 558 . 20 1 1 A 51 51 VAL HA H 390 3.803 3.638 0.165 1
1 566 . 20 1 1 A 51 51 VAL CA C 390 67.235 66.675 0.560 1
1 567 . 20 1 1 A 51 51 VAL CB C 390 31.751 31.424 0.327 1
1 570 . 20 1 1 A 51 51 VAL N N 390 123.598 120.590 3.008 1
1 571 . 20 1 1 A 52 52 LEU H H 391 8.735 8.560 0.175 1
1 572 . 20 1 1 A 52 52 LEU HA H 391 4.123 3.984 0.139 1
1 582 . 20 1 1 A 52 52 LEU CA C 391 58.479 58.278 0.201 1
1 583 . 20 1 1 A 52 52 LEU CB C 391 41.659 41.490 0.169 1
1 587 . 20 1 1 A 52 52 LEU N N 391 120.955 119.357 1.598 1
1 588 . 20 1 1 A 53 53 ASN H H 392 8.231 8.541 -0.310 1
1 589 . 20 1 1 A 53 53 ASN HA H 392 4.561 4.449 0.112 1
1 594 . 20 1 1 A 53 53 ASN CA C 392 56.175 56.536 -0.361 1
1 595 . 20 1 1 A 53 53 ASN CB C 392 38.433 39.299 -0.866 1
1 596 . 20 1 1 A 53 53 ASN N N 392 116.801 117.428 -0.627 1
1 598 . 20 1 1 A 54 54 HIS H H 393 8.049 8.363 -0.314 1
1 599 . 20 1 1 A 54 54 HIS HA H 393 4.418 4.300 0.118 1
1 604 . 20 1 1 A 54 54 HIS CA C 393 59.401 60.133 -0.732 1
1 605 . 20 1 1 A 54 54 HIS CB C 393 27.604 30.232 -2.628 1
1 608 . 20 1 1 A 54 54 HIS N N 393 120.011 119.617 0.394 1
1 609 . 20 1 1 A 55 55 MET H H 394 9.118 8.632 0.486 1
1 610 . 20 1 1 A 55 55 MET HA H 394 3.704 4.004 -0.300 1
1 618 . 20 1 1 A 55 55 MET CA C 394 59.401 58.424 0.977 1
1 619 . 20 1 1 A 55 55 MET CB C 394 34.286 32.627 1.659 1
1 622 . 20 1 1 A 55 55 MET N N 394 119.066 116.948 2.118 1
1 623 . 20 1 1 A 56 56 THR H H 395 7.521 7.714 -0.193 1
1 624 . 20 1 1 A 56 56 THR HA H 395 3.915 4.282 -0.367 1
1 629 . 20 1 1 A 56 56 THR CA C 395 65.392 63.848 1.544 1
1 630 . 20 1 1 A 56 56 THR CB C 395 69.309 67.924 1.385 1
1 632 . 20 1 1 A 56 56 THR N N 395 110.758 115.224 -4.466 1
1 633 . 20 1 1 A 57 57 HIS H H 396 7.023 7.922 -0.899 1
1 634 . 20 1 1 A 57 57 HIS HA H 396 4.846 4.716 0.130 1
1 639 . 20 1 1 A 57 57 HIS CA C 396 55.023 56.309 -1.286 1
1 640 . 20 1 1 A 57 57 HIS CB C 396 30.830 31.765 -0.935 1
1 643 . 20 1 1 A 57 57 HIS N N 396 115.668 116.179 -0.511 1
1 644 . 20 1 1 A 58 58 CYS H H 397 7.134 7.762 -0.628 1
1 645 . 20 1 1 A 58 58 CYS HA H 397 4.048 4.135 -0.087 1
1 648 . 20 1 1 A 58 58 CYS CA C 397 60.784 59.632 1.152 1
1 649 . 20 1 1 A 58 58 CYS CB C 397 29.678 28.000 1.678 1
1 650 . 20 1 1 A 58 58 CYS N N 397 123.598 118.032 5.566 1
1 651 . 20 1 1 A 59 59 GLN HA H 398 4.710 4.580 0.130 1
1 656 . 20 1 1 A 59 59 GLN CA C 398 55.023 55.795 -0.772 1
1 657 . 20 1 1 A 59 59 GLN CB C 398 29.678 29.583 0.095 1
1 659 . 20 1 1 A 60 60 ALA H H 399 8.689 7.327 1.362 1
1 660 . 20 1 1 A 60 60 ALA HA H 399 4.414 4.302 0.112 1
1 664 . 20 1 1 A 60 60 ALA CA C 399 52.949 52.039 0.910 1
1 665 . 20 1 1 A 60 60 ALA CB C 399 20.001 19.486 0.515 1
1 666 . 20 1 1 A 60 60 ALA N N 399 124.731 121.645 3.086 1
1 667 . 20 1 1 A 61 61 GLY H H 400 8.166 8.354 -0.188 1
1 668 . 20 1 1 A 61 61 GLY HA2 H 400 3.621 3.853 -0.232 1
1 669 . 20 1 1 A 61 61 GLY HA3 H 400 3.976 3.856 0.120 1
1 670 . 20 1 1 A 61 61 GLY CA C 400 46.267 47.381 -1.114 1
1 671 . 20 1 1 A 61 61 GLY N N 400 107.926 107.329 0.597 1
1 672 . 20 1 1 A 62 62 LYS HA H 401 4.138 4.415 -0.277 1
1 673 . 20 1 1 A 62 62 LYS CA C 401 58.479 55.147 3.332 1
1 674 . 20 1 1 A 63 63 ALA H H 402 7.671 7.953 -0.282 1
1 675 . 20 1 1 A 63 63 ALA HA H 402 4.448 4.520 -0.072 1
1 679 . 20 1 1 A 63 63 ALA CA C 402 51.336 51.191 0.145 1
1 680 . 20 1 1 A 63 63 ALA CB C 402 19.079 20.305 -1.226 1
1 681 . 20 1 1 A 63 63 ALA N N 402 119.444 122.826 -3.382 1
1 682 . 20 1 1 A 64 64 CYS H H 403 7.497 7.621 -0.124 1
1 683 . 20 1 1 A 64 64 CYS HA H 403 3.857 4.426 -0.569 1
1 686 . 20 1 1 A 64 64 CYS CA C 403 62.396 59.161 3.235 1
1 687 . 20 1 1 A 64 64 CYS CB C 403 29.908 28.771 1.137 1
1 688 . 20 1 1 A 64 64 CYS N N 403 121.899 118.728 3.171 1
1 689 . 20 1 1 A 65 65 GLN H H 404 9.025 8.720 0.305 1
1 690 . 20 1 1 A 65 65 GLN HA H 404 4.463 4.291 0.172 1
1 697 . 20 1 1 A 65 65 GLN CA C 404 55.673 57.432 -1.759 1
1 698 . 20 1 1 A 65 65 GLN CB C 404 29.332 29.227 0.105 1
1 700 . 20 1 1 A 65 65 GLN N N 404 128.885 122.314 6.571 1
1 702 . 20 1 1 A 66 66 VAL H H 405 9.337 7.273 2.064 1
1 703 . 20 1 1 A 66 66 VAL HA H 405 3.631 4.102 -0.471 1
1 711 . 20 1 1 A 66 66 VAL CA C 405 64.240 62.726 1.514 1
1 712 . 20 1 1 A 66 66 VAL CB C 405 30.830 31.186 -0.356 1
1 715 . 20 1 1 A 66 66 VAL N N 405 127.752 120.216 7.536 1
1 716 . 20 1 1 A 67 67 ALA H H 406 8.581 8.764 -0.183 1
1 717 . 20 1 1 A 67 67 ALA HA H 406 3.761 3.917 -0.156 1
1 721 . 20 1 1 A 67 67 ALA CA C 406 54.101 55.360 -1.259 1
1 722 . 20 1 1 A 67 67 ALA CB C 406 17.467 18.122 -0.655 1
1 723 . 20 1 1 A 67 67 ALA N N 406 133.983 129.664 4.319 1
1 724 . 20 1 1 A 68 68 HIS H H 407 8.099 7.645 0.454 1
1 725 . 20 1 1 A 68 68 HIS HA H 407 4.407 4.464 -0.057 1
1 730 . 20 1 1 A 68 68 HIS CA C 407 57.327 58.745 -1.418 1
1 731 . 20 1 1 A 68 68 HIS CB C 407 29.447 29.564 -0.117 1
1 734 . 20 1 1 A 68 68 HIS N N 407 110.569 114.737 -4.168 1
1 735 . 20 1 1 A 69 69 CYS H H 408 8.086 7.609 0.477 1
1 736 . 20 1 1 A 69 69 CYS HA H 408 4.163 4.096 0.067 1
1 739 . 20 1 1 A 69 69 CYS CA C 408 64.240 62.373 1.867 1
1 740 . 20 1 1 A 69 69 CYS CB C 408 29.908 27.121 2.787 1
1 741 . 20 1 1 A 69 69 CYS N N 408 126.619 118.767 7.852 1
1 742 . 20 1 1 A 70 70 ALA H H 409 8.728 7.999 0.729 1
1 743 . 20 1 1 A 70 70 ALA HA H 409 4.333 4.060 0.273 1
1 747 . 20 1 1 A 70 70 ALA CA C 409 55.253 55.443 -0.190 1
1 748 . 20 1 1 A 70 70 ALA CB C 409 17.697 18.225 -0.528 1
1 749 . 20 1 1 A 70 70 ALA N N 409 118.689 122.869 -4.180 1
1 750 . 20 1 1 A 71 71 SER H H 410 9.179 8.214 0.965 1
1 751 . 20 1 1 A 71 71 SER HA H 410 4.138 4.218 -0.080 1
1 754 . 20 1 1 A 71 71 SER CA C 410 60.323 61.688 -1.365 1
1 755 . 20 1 1 A 71 71 SER CB C 410 61.244 62.496 -1.252 1
1 756 . 20 1 1 A 71 71 SER N N 410 114.535 113.189 1.346 1
1 757 . 20 1 1 A 72 72 SER H H 411 7.937 8.111 -0.174 1
1 758 . 20 1 1 A 72 72 SER HA H 411 4.048 4.161 -0.113 1
1 762 . 20 1 1 A 72 72 SER CA C 411 64.240 61.709 2.531 1
1 763 . 20 1 1 A 72 72 SER CB C 411 62.396 62.938 -0.542 1
1 764 . 20 1 1 A 72 72 SER N N 411 120.766 117.151 3.615 1
1 765 . 20 1 1 A 73 73 ARG H H 412 8.835 8.205 0.630 1
1 766 . 20 1 1 A 73 73 ARG HA H 412 3.855 4.063 -0.208 1
1 773 . 20 1 1 A 73 73 ARG CA C 412 60.323 59.487 0.836 1
1 774 . 20 1 1 A 73 73 ARG CB C 412 30.369 29.805 0.564 1
1 777 . 20 1 1 A 73 73 ARG N N 412 122.276 121.320 0.956 1
1 778 . 20 1 1 A 74 74 GLN H H 413 7.873 7.506 0.367 1
1 779 . 20 1 1 A 74 74 GLN HA H 413 4.182 4.156 0.026 1
1 786 . 20 1 1 A 74 74 GLN CA C 413 58.710 58.726 -0.016 1
1 787 . 20 1 1 A 74 74 GLN CB C 413 29.447 28.663 0.784 1
1 789 . 20 1 1 A 74 74 GLN N N 413 118.689 118.849 -0.160 1
1 791 . 20 1 1 A 75 75 ILE H H 414 8.754 8.252 0.502 1
1 792 . 20 1 1 A 75 75 ILE HA H 414 3.617 3.810 -0.193 1
1 802 . 20 1 1 A 75 75 ILE CA C 414 66.544 65.027 1.517 1
1 803 . 20 1 1 A 75 75 ILE CB C 414 38.664 37.672 0.992 1
1 807 . 20 1 1 A 75 75 ILE N N 414 121.710 119.023 2.687 1
1 808 . 20 1 1 A 76 76 ILE H H 415 8.856 8.264 0.592 1
1 809 . 20 1 1 A 76 76 ILE HA H 415 3.863 3.636 0.227 1
1 819 . 20 1 1 A 76 76 ILE CA C 415 64.701 65.308 -0.607 1
1 820 . 20 1 1 A 76 76 ILE CB C 415 37.051 37.717 -0.666 1
1 824 . 20 1 1 A 76 76 ILE N N 415 120.199 122.508 -2.309 1
1 825 . 20 1 1 A 77 77 SER H H 416 7.981 8.078 -0.097 1
1 826 . 20 1 1 A 77 77 SER HA H 416 4.153 4.274 -0.121 1
1 829 . 20 1 1 A 77 77 SER CA C 416 62.166 61.894 0.272 1
1 830 . 20 1 1 A 77 77 SER CB C 416 62.627 63.001 -0.374 1
1 831 . 20 1 1 A 77 77 SER N N 416 114.346 116.110 -1.764 1
1 832 . 20 1 1 A 78 78 HIS H H 417 8.126 7.608 0.518 1
1 833 . 20 1 1 A 78 78 HIS HA H 417 4.154 4.427 -0.273 1
1 838 . 20 1 1 A 78 78 HIS CA C 417 60.553 59.521 1.032 1
1 839 . 20 1 1 A 78 78 HIS CB C 417 28.065 30.226 -2.161 1
1 842 . 20 1 1 A 78 78 HIS N N 417 118.878 121.736 -2.858 1
1 843 . 20 1 1 A 79 79 TRP H H 418 8.417 8.360 0.057 1
1 844 . 20 1 1 A 79 79 TRP HA H 418 4.451 4.193 0.258 1
1 853 . 20 1 1 A 79 79 TRP CA C 418 59.862 60.288 -0.426 1
1 854 . 20 1 1 A 79 79 TRP CB C 418 30.369 29.651 0.718 1
1 860 . 20 1 1 A 79 79 TRP N N 418 119.255 121.366 -2.111 1
1 862 . 20 1 1 A 80 80 LYS H H 419 8.412 7.860 0.552 1
1 863 . 20 1 1 A 80 80 LYS HA H 419 3.714 4.004 -0.290 1
1 872 . 20 1 1 A 80 80 LYS CA C 419 58.710 58.229 0.481 1
1 873 . 20 1 1 A 80 80 LYS CB C 419 32.673 32.243 0.430 1
1 877 . 20 1 1 A 80 80 LYS N N 419 115.101 118.288 -3.187 1
1 878 . 20 1 1 A 81 81 ASN H H 420 7.416 7.771 -0.355 1
1 879 . 20 1 1 A 81 81 ASN HA H 420 4.713 4.752 -0.039 1
1 884 . 20 1 1 A 81 81 ASN CA C 420 53.410 53.916 -0.506 1
1 885 . 20 1 1 A 81 81 ASN CB C 420 40.737 41.400 -0.663 1
1 886 . 20 1 1 A 81 81 ASN N N 420 113.968 114.856 -0.888 1
1 888 . 20 1 1 A 82 82 CYS H H 421 7.617 7.578 0.039 1
1 889 . 20 1 1 A 82 82 CYS HA H 421 3.986 4.303 -0.317 1
1 892 . 20 1 1 A 82 82 CYS CA C 421 61.244 60.064 1.180 1
1 893 . 20 1 1 A 82 82 CYS CB C 421 28.756 28.004 0.752 1
1 894 . 20 1 1 A 82 82 CYS N N 421 124.354 118.183 6.171 1
1 895 . 20 1 1 A 83 83 THR H H 422 8.535 8.557 -0.022 1
1 896 . 20 1 1 A 83 83 THR HA H 422 4.527 4.659 -0.132 1
1 901 . 20 1 1 A 83 83 THR CA C 422 60.553 61.114 -0.561 1
1 902 . 20 1 1 A 83 83 THR CB C 422 69.309 70.632 -1.323 1
1 904 . 20 1 1 A 83 83 THR N N 422 118.500 116.733 1.767 1
1 905 . 20 1 1 A 84 84 ARG HA H 423 4.448 4.113 0.335 1
1 912 . 20 1 1 A 84 84 ARG CA C 423 56.175 56.524 -0.349 1
1 913 . 20 1 1 A 84 84 ARG CB C 423 31.521 31.294 0.227 1
1 916 . 20 1 1 A 85 85 HIS HA H 424 4.391 4.495 -0.104 1
1 921 . 20 1 1 A 85 85 HIS CA C 424 58.479 57.882 0.597 1
1 922 . 20 1 1 A 85 85 HIS CB C 424 30.138 29.113 1.025 1
1 925 . 20 1 1 A 86 86 ASP H H 425 7.962 8.042 -0.080 1
1 926 . 20 1 1 A 86 86 ASP HA H 425 4.525 4.710 -0.185 1
1 929 . 20 1 1 A 86 86 ASP CA C 425 51.567 53.049 -1.482 1
1 930 . 20 1 1 A 86 86 ASP CB C 425 39.585 41.457 -1.872 1
1 931 . 20 1 1 A 86 86 ASP N N 425 116.612 116.407 0.205 1
1 932 . 20 1 1 A 87 87 CYS H H 426 6.974 6.919 0.055 1
1 933 . 20 1 1 A 87 87 CYS HA H 426 4.247 4.419 -0.172 1
1 936 . 20 1 1 A 87 87 CYS CA C 426 57.558 57.801 -0.243 1
1 937 . 20 1 1 A 87 87 CYS CB C 426 31.291 28.794 2.497 1
1 938 . 20 1 1 A 87 87 CYS N N 426 122.276 120.583 1.693 1
1 939 . 20 1 1 A 88 88 PRO HA H 427 4.445 4.317 0.128 1
1 944 . 20 1 1 A 88 88 PRO CA C 427 64.009 65.453 -1.444 1
1 945 . 20 1 1 A 88 88 PRO CB C 427 32.558 31.845 0.713 1
1 947 . 20 1 1 A 89 89 VAL H H 428 8.460 7.224 1.236 1
1 948 . 20 1 1 A 89 89 VAL HA H 428 3.719 3.773 -0.054 1
1 956 . 20 1 1 A 89 89 VAL CA C 428 65.622 65.586 0.036 1
1 957 . 20 1 1 A 89 89 VAL CB C 428 33.134 31.613 1.521 1
1 960 . 20 1 1 A 89 89 VAL N N 428 119.822 115.785 4.037 1
1 961 . 20 1 1 A 90 90 CYS H H 429 8.729 7.785 0.944 1
1 962 . 20 1 1 A 90 90 CYS HA H 429 4.225 4.290 -0.065 1
1 965 . 20 1 1 A 90 90 CYS CA C 429 63.779 62.998 0.781 1
1 966 . 20 1 1 A 90 90 CYS CB C 429 31.291 26.740 4.551 1
1 967 . 20 1 1 A 90 90 CYS N N 429 118.878 117.774 1.104 1
1 968 . 20 1 1 A 91 91 LEU H H 430 7.907 8.257 -0.350 1
1 969 . 20 1 1 A 91 91 LEU HA H 430 4.214 4.089 0.125 1
1 979 . 20 1 1 A 91 91 LEU CA C 430 60.323 60.340 -0.017 1
1 980 . 20 1 1 A 91 91 LEU CB C 430 39.125 39.957 -0.832 1
1 984 . 20 1 1 A 91 91 LEU N N 430 118.878 123.114 -4.236 1
1 985 . 20 1 1 A 92 92 PRO HA H 431 4.460 4.353 0.107 1
1 992 . 20 1 1 A 92 92 PRO CA C 431 65.161 65.856 -0.695 1
1 993 . 20 1 1 A 92 92 PRO CB C 431 31.291 30.773 0.518 1
1 996 . 20 1 1 A 93 93 LEU H H 432 7.459 7.389 0.070 1
1 997 . 20 1 1 A 93 93 LEU HA H 432 4.359 3.867 0.492 1
1 1007 . 20 1 1 A 93 93 LEU CA C 432 55.945 57.435 -1.490 1
1 1008 . 20 1 1 A 93 93 LEU CB C 432 42.350 41.026 1.324 1
1 1012 . 20 1 1 A 93 93 LEU N N 432 115.290 116.463 -1.173 1
1 1013 . 20 1 1 A 94 94 LYS H H 433 7.975 8.664 -0.689 1
1 1014 . 20 1 1 A 94 94 LYS HA H 433 4.390 4.268 0.122 1
1 1022 . 20 1 1 A 94 94 LYS CA C 433 57.558 59.793 -2.235 1
1 1023 . 20 1 1 A 94 94 LYS CB C 433 33.134 32.141 0.993 1
1 1027 . 20 1 1 A 94 94 LYS N N 433 119.255 118.091 1.164 1
1 1028 . 20 1 1 A 95 95 ASN H H 434 8.368 8.140 0.228 1
1 1029 . 20 1 1 A 95 95 ASN HA H 434 4.733 4.479 0.254 1
1 1034 . 20 1 1 A 95 95 ASN CA C 434 53.410 56.112 -2.702 1
1 1035 . 20 1 1 A 95 95 ASN CB C 434 38.894 38.432 0.462 1
1 1036 . 20 1 1 A 95 95 ASN N N 434 117.934 118.039 -0.105 1
1 1038 . 20 1 1 A 96 96 ALA H H 435 8.040 8.463 -0.423 1
1 1039 . 20 1 1 A 96 96 ALA HA H 435 4.376 4.157 0.219 1
1 1043 . 20 1 1 A 96 96 ALA CA C 435 52.949 54.291 -1.342 1
1 1044 . 20 1 1 A 96 96 ALA CB C 435 19.310 18.465 0.845 1
1 1045 . 20 1 1 A 96 96 ALA N N 435 123.221 122.811 0.410 1
1 1046 . 20 1 1 A 97 97 SER H H 436 8.138 7.750 0.388 1
1 1047 . 20 1 1 A 97 97 SER HA H 436 4.450 4.567 -0.117 1
1 1050 . 20 1 1 A 97 97 SER CA C 436 58.710 58.139 0.571 1
1 1051 . 20 1 1 A 97 97 SER CB C 436 63.779 64.131 -0.352 1
1 1052 . 20 1 1 A 97 97 SER N N 436 113.591 108.935 4.656 1
1 1053 . 20 1 1 A 98 98 ASP H H 437 8.214 8.118 0.096 1
1 1054 . 20 1 1 A 98 98 ASP HA H 437 4.662 4.923 -0.261 1
1 1057 . 20 1 1 A 98 98 ASP CA C 437 54.332 53.168 1.164 1
1 1058 . 20 1 1 A 98 98 ASP CB C 437 41.198 41.987 -0.789 1
1 1059 . 20 1 1 A 98 98 ASP N N 437 121.521 121.982 -0.461 1
1 1060 . 20 1 1 A 99 99 LYS H H 438 8.062 7.663 0.399 1
1 1061 . 20 1 1 A 99 99 LYS HA H 438 4.363 4.289 0.074 1
1 1070 . 20 1 1 A 99 99 LYS CA C 438 55.945 55.918 0.027 1
1 1071 . 20 1 1 A 99 99 LYS CB C 438 32.720 33.194 -0.474 1
1 1075 . 20 1 1 A 99 99 LYS N N 438 121.144 121.821 -0.677 1
1 1092 . 20 2 2 B 2 2 SER HA H 783 4.524 4.081 0.443 1
1 1095 . 20 2 2 B 2 2 SER CA C 783 58.053 62.842 -4.789 1
1 1096 . 20 2 2 B 2 2 SER CB C 783 64.502 63.222 1.280 1
1 1097 . 20 2 2 B 3 3 HIS HA H 784 4.721 4.397 0.324 1
1 1102 . 20 2 2 B 3 3 HIS CA C 784 55.750 57.701 -1.951 1
1 1103 . 20 2 2 B 3 3 HIS CB C 784 30.167 28.406 1.761 1
1 1106 . 20 2 2 B 4 4 MET HA H 785 4.495 4.623 -0.128 1
1 1114 . 20 2 2 B 4 4 MET CA C 785 55.058 55.989 -0.931 1
1 1115 . 20 2 2 B 4 4 MET CB C 785 32.727 35.678 -2.951 1
1 1118 . 20 2 2 B 5 5 VAL H H 786 8.163 7.365 0.798 1
1 1119 . 20 2 2 B 5 5 VAL HA H 786 4.464 4.757 -0.293 1
1 1127 . 20 2 2 B 5 5 VAL CA C 786 59.478 58.050 1.428 1
1 1128 . 20 2 2 B 5 5 VAL CB C 786 32.606 34.446 -1.840 1
1 1131 . 20 2 2 B 5 5 VAL N N 786 122.854 116.618 6.236 1
1 1132 . 20 2 2 B 6 6 PRO HA H 787 4.437 4.800 -0.363 1
1 1137 . 20 2 2 B 6 6 PRO CA C 787 62.667 62.385 0.282 1
1 1138 . 20 2 2 B 6 6 PRO CB C 787 32.010 32.344 -0.334 1
1 1140 . 20 2 2 B 7 7 GLU H H 788 8.306 8.894 -0.588 1
1 1141 . 20 2 2 B 7 7 GLU HA H 788 4.654 4.574 0.080 1
1 1146 . 20 2 2 B 7 7 GLU CA C 788 53.568 53.968 -0.400 1
1 1147 . 20 2 2 B 7 7 GLU CB C 788 30.011 32.090 -2.079 1
1 1149 . 20 2 2 B 7 7 GLU N N 788 123.231 121.324 1.907 1
1 1150 . 20 2 2 B 8 8 PRO HA H 789 4.490 4.551 -0.061 1
1 1157 . 20 2 2 B 8 8 PRO CA C 789 62.253 62.578 -0.325 1
1 1158 . 20 2 2 B 8 8 PRO CB C 789 32.483 32.476 0.007 1
1 1161 . 20 2 2 B 9 9 ASP H H 790 8.272 8.475 -0.203 1
1 1162 . 20 2 2 B 9 9 ASP HA H 790 4.456 4.554 -0.098 1
1 1165 . 20 2 2 B 9 9 ASP CA C 790 54.137 54.242 -0.105 1
1 1166 . 20 2 2 B 9 9 ASP CB C 790 41.016 40.561 0.455 1
1 1167 . 20 2 2 B 9 9 ASP N N 790 118.511 120.108 -1.597 1
1 1168 . 20 2 2 B 10 10 LEU H H 791 8.463 8.176 0.287 1
1 1169 . 20 2 2 B 10 10 LEU HA H 791 4.356 4.292 0.064 1
1 1179 . 20 2 2 B 10 10 LEU CA C 791 52.531 53.130 -0.599 1
1 1180 . 20 2 2 B 10 10 LEU CB C 791 42.609 43.257 -0.648 1
1 1184 . 20 2 2 B 10 10 LEU N N 791 121.343 126.573 -5.230 1
1 1185 . 20 2 2 B 11 11 PRO HA H 792 4.553 4.542 0.011 1
1 1192 . 20 2 2 B 11 11 PRO CA C 792 62.788 62.852 -0.064 1
1 1193 . 20 2 2 B 11 11 PRO CB C 792 32.716 31.675 1.041 1
1 1196 . 20 2 2 B 12 12 HIS HA H 793 3.989 4.162 -0.173 1
1 1201 . 20 2 2 B 12 12 HIS CA C 793 60.326 59.358 0.968 1
1 1202 . 20 2 2 B 12 12 HIS CB C 793 30.803 29.670 1.133 1
1 1205 . 20 2 2 B 13 13 ASP H H 794 8.938 8.868 0.070 1
1 1206 . 20 2 2 B 13 13 ASP HA H 794 4.460 4.314 0.146 1
1 1209 . 20 2 2 B 13 13 ASP CA C 794 54.581 56.813 -2.232 1
1 1210 . 20 2 2 B 13 13 ASP CB C 794 38.061 39.589 -1.528 1
1 1211 . 20 2 2 B 13 13 ASP N N 794 114.734 118.687 -3.953 1
1 1212 . 20 2 2 B 14 14 LEU H H 795 7.674 7.695 -0.021 1
1 1213 . 20 2 2 B 14 14 LEU HA H 795 4.546 4.262 0.284 1
1 1223 . 20 2 2 B 14 14 LEU CA C 795 53.478 56.405 -2.927 1
1 1224 . 20 2 2 B 14 14 LEU CB C 795 43.597 42.031 1.566 1
1 1228 . 20 2 2 B 14 14 LEU N N 795 116.056 119.829 -3.773 1
1 1229 . 20 2 2 B 15 15 ARG H H 796 7.225 8.319 -1.094 1
1 1230 . 20 2 2 B 15 15 ARG HA H 796 3.809 3.991 -0.182 1
1 1237 . 20 2 2 B 15 15 ARG CA C 796 58.744 59.583 -0.839 1
1 1238 . 20 2 2 B 15 15 ARG CB C 796 30.413 30.149 0.264 1
1 1241 . 20 2 2 B 15 15 ARG N N 796 116.434 119.347 -2.913 1
1 1242 . 20 2 2 B 16 16 HIS HA H 797 4.703 4.517 0.186 1
1 1247 . 20 2 2 B 16 16 HIS CA C 797 55.289 58.669 -3.380 1
1 1248 . 20 2 2 B 16 16 HIS CB C 797 29.538 30.024 -0.486 1
1 1251 . 20 2 2 B 17 17 LEU H H 798 6.982 7.533 -0.551 1
1 1252 . 20 2 2 B 17 17 LEU HA H 798 4.071 4.105 -0.034 1
1 1262 . 20 2 2 B 17 17 LEU CA C 798 54.807 55.433 -0.626 1
1 1263 . 20 2 2 B 17 17 LEU CB C 798 42.206 42.201 0.005 1
1 1267 . 20 2 2 B 17 17 LEU N N 798 120.399 120.342 0.057 1
1 1268 . 20 2 2 B 18 18 ASN H H 799 8.789 8.624 0.165 1
1 1269 . 20 2 2 B 18 18 ASN HA H 799 4.857 4.943 -0.086 1
1 1274 . 20 2 2 B 18 18 ASN CA C 799 52.166 52.821 -0.655 1
1 1275 . 20 2 2 B 18 18 ASN CB C 799 37.842 38.734 -0.892 1
1 1276 . 20 2 2 B 18 18 ASN N N 799 121.343 123.331 -1.988 1
1 1278 . 20 2 2 B 19 19 THR H H 800 8.585 8.605 -0.020 1
1 1279 . 20 2 2 B 19 19 THR HA H 800 4.522 4.439 0.083 1
1 1284 . 20 2 2 B 19 19 THR CA C 800 62.143 63.357 -1.214 1
1 1285 . 20 2 2 B 19 19 THR CB C 800 68.865 69.208 -0.343 1
1 1287 . 20 2 2 B 19 19 THR N N 800 115.301 117.780 -2.479 1
1 1288 . 20 2 2 B 20 20 GLU H H 801 8.415 8.566 -0.151 1
1 1289 . 20 2 2 B 20 20 GLU HA H 801 4.337 4.169 0.168 1
1 1294 . 20 2 2 B 20 20 GLU CA C 801 61.496 62.684 -1.188 1
1 1295 . 20 2 2 B 20 20 GLU CB C 801 26.493 27.827 -1.334 1
1 1297 . 20 2 2 B 20 20 GLU N N 801 125.119 122.998 2.121 1
1 1298 . 20 2 2 B 21 21 PRO HA H 802 4.422 4.267 0.155 1
1 1305 . 20 2 2 B 21 21 PRO CA C 802 64.520 65.615 -1.095 1
1 1306 . 20 2 2 B 21 21 PRO CB C 802 31.355 30.471 0.884 1
1 1309 . 20 2 2 B 22 22 MET H H 803 7.303 7.631 -0.328 1
1 1310 . 20 2 2 B 22 22 MET HA H 803 4.062 4.130 -0.068 1
1 1318 . 20 2 2 B 22 22 MET CA C 803 55.686 57.812 -2.126 1
1 1319 . 20 2 2 B 22 22 MET CB C 803 33.481 31.777 1.704 1
1 1322 . 20 2 2 B 22 22 MET N N 803 110.769 115.411 -4.642 1
1 1323 . 20 2 2 B 23 23 GLU H H 804 7.624 7.825 -0.201 1
1 1324 . 20 2 2 B 23 23 GLU HA H 804 3.918 3.951 -0.033 1
1 1329 . 20 2 2 B 23 23 GLU CA C 804 59.221 59.126 0.095 1
1 1330 . 20 2 2 B 23 23 GLU CB C 804 28.993 29.317 -0.324 1
1 1332 . 20 2 2 B 23 23 GLU N N 804 118.699 118.315 0.384 1
1 1333 . 20 2 2 B 24 24 ILE H H 805 6.626 6.763 -0.137 1
1 1334 . 20 2 2 B 24 24 ILE HA H 805 3.999 3.692 0.307 1
1 1344 . 20 2 2 B 24 24 ILE CA C 805 62.734 63.825 -1.091 1
1 1345 . 20 2 2 B 24 24 ILE CB C 805 37.574 36.929 0.645 1
1 1349 . 20 2 2 B 24 24 ILE N N 805 111.524 116.250 -4.726 1
1 1350 . 20 2 2 B 25 25 PHE H H 806 7.515 7.321 0.194 1
1 1351 . 20 2 2 B 25 25 PHE HA H 806 4.524 4.382 0.142 1
1 1358 . 20 2 2 B 25 25 PHE CA C 806 55.760 61.285 -5.525 1
1 1359 . 20 2 2 B 25 25 PHE CB C 806 38.464 38.711 -0.247 1
1 1362 . 20 2 2 B 25 25 PHE N N 806 118.322 120.980 -2.658 1
1 1363 . 20 2 2 B 26 26 ARG H H 807 7.368 7.688 -0.320 1
1 1364 . 20 2 2 B 26 26 ARG HA H 807 4.024 4.114 -0.090 1
1 1371 . 20 2 2 B 26 26 ARG CA C 807 58.864 59.048 -0.184 1
1 1372 . 20 2 2 B 26 26 ARG CB C 807 30.872 29.907 0.965 1
1 1375 . 20 2 2 B 26 26 ARG N N 807 118.888 121.630 -2.742 1
1 1376 . 20 2 2 B 27 27 ASN H H 808 8.877 8.119 0.758 1
1 1377 . 20 2 2 B 27 27 ASN HA H 808 4.732 5.001 -0.269 1
1 1382 . 20 2 2 B 27 27 ASN CA C 808 53.413 51.966 1.447 1
1 1383 . 20 2 2 B 27 27 ASN CB C 808 38.244 39.501 -1.257 1
1 1384 . 20 2 2 B 27 27 ASN N N 808 117.000 117.584 -0.584 1
1 1386 . 20 2 2 B 28 28 SER H H 809 7.969 7.943 0.026 1
1 1387 . 20 2 2 B 28 28 SER HA H 809 4.440 4.743 -0.303 1
1 1390 . 20 2 2 B 28 28 SER CA C 809 60.606 57.901 2.705 1
1 1391 . 20 2 2 B 28 28 SER CB C 809 64.021 64.605 -0.584 1
1 1392 . 20 2 2 B 28 28 SER N N 809 114.356 116.939 -2.583 1
1 1393 . 20 2 2 B 29 29 VAL HA H 810 4.304 4.777 -0.473 1
1 1401 . 20 2 2 B 29 29 VAL CA C 810 60.803 60.424 0.379 1
1 1402 . 20 2 2 B 29 29 VAL CB C 810 34.232 36.877 -2.645 1
1 1405 . 20 2 2 B 30 30 LYS H H 811 8.707 8.481 0.226 1
1 1406 . 20 2 2 B 30 30 LYS HA H 811 4.552 4.728 -0.176 1
1 1415 . 20 2 2 B 30 30 LYS CA C 811 55.058 54.897 0.161 1
1 1416 . 20 2 2 B 30 30 LYS CB C 811 31.782 32.891 -1.109 1
1 1420 . 20 2 2 B 30 30 LYS N N 811 127.196 124.244 2.952 1
1 1421 . 20 2 2 B 31 31 ILE H H 812 8.604 8.372 0.232 1
1 1422 . 20 2 2 B 31 31 ILE HA H 812 3.662 3.667 -0.005 1
1 1432 . 20 2 2 B 31 31 ILE CA C 812 64.066 65.092 -1.026 1
1 1433 . 20 2 2 B 31 31 ILE CB C 812 37.726 37.612 0.114 1
1 1437 . 20 2 2 B 31 31 ILE N N 812 125.497 124.786 0.711 1
1 1438 . 20 2 2 B 32 32 GLU H H 813 9.330 8.351 0.979 1
1 1439 . 20 2 2 B 32 32 GLU HA H 813 4.162 4.203 -0.041 1
1 1444 . 20 2 2 B 32 32 GLU CA C 813 58.096 58.508 -0.412 1
1 1445 . 20 2 2 B 32 32 GLU CB C 813 28.834 30.071 -1.237 1
1 1447 . 20 2 2 B 32 32 GLU N N 813 118.888 118.779 0.109 1
1 1448 . 20 2 2 B 33 33 GLU H H 814 7.742 7.928 -0.186 1
1 1449 . 20 2 2 B 33 33 GLU HA H 814 4.334 4.272 0.062 1
1 1454 . 20 2 2 B 33 33 GLU CA C 814 56.441 58.353 -1.912 1
1 1455 . 20 2 2 B 33 33 GLU CB C 814 30.396 29.819 0.577 1
1 1457 . 20 2 2 B 33 33 GLU N N 814 117.566 118.529 -0.963 1
1 1458 . 20 2 2 B 34 34 ILE H H 815 7.598 7.523 0.075 1
1 1459 . 20 2 2 B 34 34 ILE HA H 815 4.216 3.878 0.338 1
1 1469 . 20 2 2 B 34 34 ILE CA C 815 61.047 64.729 -3.682 1
1 1470 . 20 2 2 B 34 34 ILE CB C 815 38.712 38.093 0.619 1
1 1474 . 20 2 2 B 34 34 ILE N N 815 117.566 118.285 -0.719 1
1 1475 . 20 2 2 B 35 35 MET H H 816 8.177 7.622 0.555 1
1 1476 . 20 2 2 B 35 35 MET HA H 816 4.733 4.512 0.221 1
1 1484 . 20 2 2 B 35 35 MET CA C 816 53.461 54.059 -0.598 1
1 1485 . 20 2 2 B 35 35 MET CB C 816 32.025 33.726 -1.701 1
1 1488 . 20 2 2 B 35 35 MET N N 816 122.665 121.647 1.018 1
1 1489 . 20 2 2 B 36 36 PRO HA H 817 4.743 4.412 0.331 1
1 1496 . 20 2 2 B 36 36 PRO CA C 817 62.542 63.791 -1.249 1
1 1497 . 20 2 2 B 36 36 PRO CB C 817 34.328 32.074 2.254 1
1 1500 . 20 2 2 B 37 37 ASN H H 818 8.374 8.064 0.310 1
1 1501 . 20 2 2 B 37 37 ASN HA H 818 4.752 4.397 0.355 1
1 1504 . 20 2 2 B 37 37 ASN CA C 818 52.995 53.955 -0.960 1
1 1505 . 20 2 2 B 37 37 ASN CB C 818 38.705 37.033 1.672 1
1 1506 . 20 2 2 B 37 37 ASN N N 818 117.378 117.497 -0.119 1
1 1507 . 20 2 2 B 38 38 GLY H H 819 8.314 8.325 -0.011 1
1 1508 . 20 2 2 B 38 38 GLY HA2 H 819 3.937 4.154 -0.217 1
1 1509 . 20 2 2 B 38 38 GLY HA3 H 819 3.994 4.155 -0.161 1
1 1510 . 20 2 2 B 38 38 GLY CA C 819 45.006 45.958 -0.952 1
1 1511 . 20 2 2 B 38 38 GLY N N 819 108.881 109.000 -0.119 1
1 1512 . 20 2 2 B 39 39 ASP H H 820 8.157 7.804 0.353 1
1 1513 . 20 2 2 B 39 39 ASP HA H 820 4.939 5.070 -0.131 1
1 1516 . 20 2 2 B 39 39 ASP CA C 820 51.896 51.329 0.567 1
1 1517 . 20 2 2 B 39 39 ASP CB C 820 41.672 44.231 -2.559 1
1 1518 . 20 2 2 B 39 39 ASP N N 820 121.154 117.793 3.361 1
1 1519 . 20 2 2 B 40 40 PRO HA H 821 4.483 4.428 0.055 1
1 1526 . 20 2 2 B 40 40 PRO CA C 821 63.351 64.275 -0.924 1
1 1527 . 20 2 2 B 40 40 PRO CB C 821 32.066 31.940 0.126 1
1 1530 . 20 2 2 B 41 41 LEU H H 822 8.440 7.595 0.845 1
1 1531 . 20 2 2 B 41 41 LEU HA H 822 4.262 4.115 0.147 1
1 1541 . 20 2 2 B 41 41 LEU CA C 822 55.539 56.758 -1.219 1
1 1542 . 20 2 2 B 41 41 LEU CB C 822 41.496 41.192 0.304 1
1 1546 . 20 2 2 B 41 41 LEU N N 822 119.644 118.350 1.294 1
1 1547 . 20 2 2 B 42 42 LEU H H 823 7.863 7.912 -0.049 1
1 1548 . 20 2 2 B 42 42 LEU HA H 823 4.353 4.222 0.131 1
1 1558 . 20 2 2 B 42 42 LEU CA C 823 54.598 56.906 -2.308 1
1 1559 . 20 2 2 B 42 42 LEU CB C 823 42.025 41.753 0.272 1
1 1563 . 20 2 2 B 42 42 LEU N N 823 120.399 120.328 0.071 1
1 1564 . 20 2 2 B 43 43 ALA H H 824 8.022 7.810 0.212 1
1 1565 . 20 2 2 B 43 43 ALA HA H 824 4.330 4.116 0.214 1
1 1569 . 20 2 2 B 43 43 ALA CA C 824 52.539 55.396 -2.857 1
1 1570 . 20 2 2 B 43 43 ALA CB C 824 19.126 18.279 0.847 1
1 1571 . 20 2 2 B 43 43 ALA N N 824 123.420 121.334 2.086 1
1 1572 . 20 2 2 B 44 44 GLY H H 825 8.346 8.471 -0.125 1
1 1573 . 20 2 2 B 44 44 GLY HA2 H 825 3.973 3.982 -0.009 1
1 1574 . 20 2 2 B 44 44 GLY HA3 H 825 3.973 3.983 -0.010 1
1 1575 . 20 2 2 B 44 44 GLY CA C 825 45.123 46.947 -1.824 1
1 1576 . 20 2 2 B 44 44 GLY N N 825 107.559 105.362 2.197 1
1 1577 . 20 2 2 B 45 45 GLN H H 826 8.204 8.022 0.182 1
1 1578 . 20 2 2 B 45 45 GLN HA H 826 4.377 4.464 -0.087 1
1 1585 . 20 2 2 B 45 45 GLN CA C 826 55.686 56.192 -0.506 1
1 1586 . 20 2 2 B 45 45 GLN CB C 826 29.376 30.708 -1.332 1
1 1588 . 20 2 2 B 45 45 GLN N N 826 119.266 117.709 1.557 1
1 1590 . 20 2 2 B 46 46 ASN H H 827 8.556 8.371 0.185 1
1 1591 . 20 2 2 B 46 46 ASN HA H 827 4.824 4.564 0.260 1
1 1596 . 20 2 2 B 46 46 ASN CA C 827 53.216 54.874 -1.658 1
1 1597 . 20 2 2 B 46 46 ASN CB C 827 38.759 39.110 -0.351 1
1 1598 . 20 2 2 B 46 46 ASN N N 827 119.266 118.152 1.114 1
1 1600 . 20 2 2 B 47 47 THR H H 828 8.127 7.181 0.946 1
1 1601 . 20 2 2 B 47 47 THR HA H 828 4.414 4.489 -0.075 1
1 1606 . 20 2 2 B 47 47 THR CA C 828 61.564 59.626 1.938 1
1 1607 . 20 2 2 B 47 47 THR CB C 828 69.507 70.588 -1.081 1
1 1609 . 20 2 2 B 47 47 THR N N 828 113.790 111.483 2.307 1
1 1610 . 20 2 2 B 48 48 VAL H H 829 8.140 8.311 -0.171 1
1 1611 . 20 2 2 B 48 48 VAL HA H 829 4.091 4.941 -0.850 1
1 1619 . 20 2 2 B 48 48 VAL CA C 829 62.146 58.799 3.347 1
1 1620 . 20 2 2 B 48 48 VAL CB C 829 32.515 35.872 -3.357 1
1 1623 . 20 2 2 B 48 48 VAL N N 829 120.776 119.403 1.373 1
1 1624 . 20 2 2 B 49 49 ASP H H 830 8.287 8.935 -0.648 1
1 1625 . 20 2 2 B 49 49 ASP HA H 830 4.617 5.002 -0.385 1
1 1628 . 20 2 2 B 49 49 ASP CA C 830 54.308 55.614 -1.306 1
1 1629 . 20 2 2 B 49 49 ASP CB C 830 41.241 40.874 0.367 1
1 1630 . 20 2 2 B 49 49 ASP N N 830 123.042 121.663 1.379 1
1 1631 . 20 2 2 B 50 50 GLU H H 831 8.242 8.933 -0.691 1
1 1632 . 20 2 2 B 50 50 GLU HA H 831 4.261 4.326 -0.065 1
1 1637 . 20 2 2 B 50 50 GLU CA C 831 56.521 57.244 -0.723 1
1 1638 . 20 2 2 B 50 50 GLU CB C 831 30.209 29.629 0.580 1
1 1640 . 20 2 2 B 50 50 GLU N N 831 120.776 120.813 -0.037 1
1 1641 . 20 2 2 B 51 51 VAL H H 832 8.044 8.136 -0.092 1
1 1642 . 20 2 2 B 51 51 VAL HA H 832 3.988 4.485 -0.497 1
1 1650 . 20 2 2 B 51 51 VAL CA C 832 62.472 61.423 1.049 1
1 1651 . 20 2 2 B 51 51 VAL CB C 832 32.278 33.924 -1.646 1
1 1654 . 20 2 2 B 51 51 VAL N N 832 120.021 120.758 -0.737 1
1 1655 . 20 2 2 B 52 52 TYR H H 833 8.148 7.574 0.574 1
1 1656 . 20 2 2 B 52 52 TYR HA H 833 4.598 4.840 -0.242 1
1 1663 . 20 2 2 B 52 52 TYR CA C 833 57.743 57.379 0.364 1
1 1664 . 20 2 2 B 52 52 TYR CB C 833 38.702 40.634 -1.932 1
1 1667 . 20 2 2 B 52 52 TYR N N 833 122.854 115.802 7.052 1
1 1668 . 20 2 2 B 53 53 VAL H H 834 7.868 7.440 0.428 1
1 1669 . 20 2 2 B 53 53 VAL HA H 834 4.114 3.132 0.982 1
1 1677 . 20 2 2 B 53 53 VAL CA C 834 61.508 63.488 -1.980 1
1 1678 . 20 2 2 B 53 53 VAL CB C 834 33.010 31.982 1.028 1
1 1681 . 20 2 2 B 53 53 VAL N N 834 121.721 121.080 0.641 1
1 1682 . 20 2 2 B 54 54 SER H H 835 8.237 7.523 0.714 1
1 1683 . 20 2 2 B 54 54 SER HA H 835 4.422 4.473 -0.051 1
1 1686 . 20 2 2 B 54 54 SER CA C 835 57.823 56.282 1.541 1
1 1687 . 20 2 2 B 54 54 SER CB C 835 63.437 65.172 -1.735 1
1 1688 . 20 2 2 B 54 54 SER N N 835 119.077 114.857 4.220 1
1 1689 . 20 2 2 B 55 55 ARG H H 836 8.284 8.337 -0.053 1
1 1690 . 20 2 2 B 55 55 ARG HA H 836 4.701 4.305 0.396 1
1 1697 . 20 2 2 B 55 55 ARG CA C 836 53.601 55.089 -1.488 1
1 1698 . 20 2 2 B 55 55 ARG CB C 836 30.394 30.250 0.144 1
1 1701 . 20 2 2 B 55 55 ARG N N 836 123.798 122.709 1.089 1
1 1702 . 20 2 2 B 56 56 PRO HA H 837 4.485 4.778 -0.293 1
1 1709 . 20 2 2 B 56 56 PRO CA C 837 63.351 62.755 0.596 1
1 1710 . 20 2 2 B 56 56 PRO CB C 837 31.795 31.741 0.054 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 97 1.234 1
3 1 1 1 "RMS(OBS, PRED)" CB 94 1.240 1
4 1 1 1 "RMS(OBS, PRED)" H 86 0.515 1
5 1 1 1 "RMS(OBS, PRED)" HA 101 0.228 1
6 1 1 1 "RMS(OBS, PRED)" N 86 2.972 1
7 1 1 2 "RMS(OBS, PRED)" C 0 0.000 1
8 1 1 2 "RMS(OBS, PRED)" CA 55 1.881 1
9 1 1 2 "RMS(OBS, PRED)" CB 53 1.332 1
10 1 1 2 "RMS(OBS, PRED)" H 42 0.469 1
11 1 1 2 "RMS(OBS, PRED)" HA 57 0.230 1
12 1 1 2 "RMS(OBS, PRED)" N 42 3.100 1
13 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 2 1 "RMS(OBS, PRED)" CA 97 1.219 1
15 1 2 1 "RMS(OBS, PRED)" CB 94 1.288 1
16 1 2 1 "RMS(OBS, PRED)" H 86 0.549 1
17 1 2 1 "RMS(OBS, PRED)" HA 101 0.238 1
18 1 2 1 "RMS(OBS, PRED)" N 86 2.894 1
19 1 2 2 "RMS(OBS, PRED)" C 0 0.000 1
20 1 2 2 "RMS(OBS, PRED)" CA 55 1.761 1
21 1 2 2 "RMS(OBS, PRED)" CB 53 1.241 1
22 1 2 2 "RMS(OBS, PRED)" H 42 0.459 1
23 1 2 2 "RMS(OBS, PRED)" HA 57 0.256 1
24 1 2 2 "RMS(OBS, PRED)" N 42 3.057 1
25 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 3 1 "RMS(OBS, PRED)" CA 97 1.353 1
27 1 3 1 "RMS(OBS, PRED)" CB 94 1.315 1
28 1 3 1 "RMS(OBS, PRED)" H 86 0.493 1
29 1 3 1 "RMS(OBS, PRED)" HA 101 0.249 1
30 1 3 1 "RMS(OBS, PRED)" N 86 3.006 1
31 1 3 2 "RMS(OBS, PRED)" C 0 0.000 1
32 1 3 2 "RMS(OBS, PRED)" CA 55 1.717 1
33 1 3 2 "RMS(OBS, PRED)" CB 53 1.045 1
34 1 3 2 "RMS(OBS, PRED)" H 42 0.419 1
35 1 3 2 "RMS(OBS, PRED)" HA 57 0.239 1
36 1 3 2 "RMS(OBS, PRED)" N 42 2.634 1
37 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 4 1 "RMS(OBS, PRED)" CA 97 1.275 1
39 1 4 1 "RMS(OBS, PRED)" CB 94 1.321 1
40 1 4 1 "RMS(OBS, PRED)" H 86 0.518 1
41 1 4 1 "RMS(OBS, PRED)" HA 101 0.237 1
42 1 4 1 "RMS(OBS, PRED)" N 86 2.917 1
43 1 4 2 "RMS(OBS, PRED)" C 0 0.000 1
44 1 4 2 "RMS(OBS, PRED)" CA 55 1.801 1
45 1 4 2 "RMS(OBS, PRED)" CB 53 1.403 1
46 1 4 2 "RMS(OBS, PRED)" H 42 0.430 1
47 1 4 2 "RMS(OBS, PRED)" HA 57 0.222 1
48 1 4 2 "RMS(OBS, PRED)" N 42 3.034 1
49 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 5 1 "RMS(OBS, PRED)" CA 97 1.284 1
51 1 5 1 "RMS(OBS, PRED)" CB 94 1.302 1
52 1 5 1 "RMS(OBS, PRED)" H 86 0.550 1
53 1 5 1 "RMS(OBS, PRED)" HA 101 0.234 1
54 1 5 1 "RMS(OBS, PRED)" N 86 3.179 1
55 1 5 2 "RMS(OBS, PRED)" C 0 0.000 1
56 1 5 2 "RMS(OBS, PRED)" CA 55 1.869 1
57 1 5 2 "RMS(OBS, PRED)" CB 53 1.118 1
58 1 5 2 "RMS(OBS, PRED)" H 42 0.421 1
59 1 5 2 "RMS(OBS, PRED)" HA 57 0.243 1
60 1 5 2 "RMS(OBS, PRED)" N 42 3.067 1
61 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 6 1 "RMS(OBS, PRED)" CA 97 1.319 1
63 1 6 1 "RMS(OBS, PRED)" CB 94 1.391 1
64 1 6 1 "RMS(OBS, PRED)" H 86 0.504 1
65 1 6 1 "RMS(OBS, PRED)" HA 101 0.247 1
66 1 6 1 "RMS(OBS, PRED)" N 86 3.023 1
67 1 6 2 "RMS(OBS, PRED)" C 0 0.000 1
68 1 6 2 "RMS(OBS, PRED)" CA 55 1.900 1
69 1 6 2 "RMS(OBS, PRED)" CB 53 1.307 1
70 1 6 2 "RMS(OBS, PRED)" H 42 0.461 1
71 1 6 2 "RMS(OBS, PRED)" HA 57 0.242 1
72 1 6 2 "RMS(OBS, PRED)" N 42 3.205 1
73 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 7 1 "RMS(OBS, PRED)" CA 97 1.218 1
75 1 7 1 "RMS(OBS, PRED)" CB 94 1.252 1
76 1 7 1 "RMS(OBS, PRED)" H 86 0.524 1
77 1 7 1 "RMS(OBS, PRED)" HA 101 0.229 1
78 1 7 1 "RMS(OBS, PRED)" N 86 2.797 1
79 1 7 2 "RMS(OBS, PRED)" C 0 0.000 1
80 1 7 2 "RMS(OBS, PRED)" CA 55 1.791 1
81 1 7 2 "RMS(OBS, PRED)" CB 53 1.281 1
82 1 7 2 "RMS(OBS, PRED)" H 42 0.460 1
83 1 7 2 "RMS(OBS, PRED)" HA 57 0.242 1
84 1 7 2 "RMS(OBS, PRED)" N 42 2.719 1
85 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 8 1 "RMS(OBS, PRED)" CA 97 1.320 1
87 1 8 1 "RMS(OBS, PRED)" CB 94 1.258 1
88 1 8 1 "RMS(OBS, PRED)" H 86 0.502 1
89 1 8 1 "RMS(OBS, PRED)" HA 101 0.236 1
90 1 8 1 "RMS(OBS, PRED)" N 86 3.107 1
91 1 8 2 "RMS(OBS, PRED)" C 0 0.000 1
92 1 8 2 "RMS(OBS, PRED)" CA 55 1.934 1
93 1 8 2 "RMS(OBS, PRED)" CB 53 1.287 1
94 1 8 2 "RMS(OBS, PRED)" H 42 0.430 1
95 1 8 2 "RMS(OBS, PRED)" HA 57 0.207 1
96 1 8 2 "RMS(OBS, PRED)" N 42 2.753 1
97 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 9 1 "RMS(OBS, PRED)" CA 97 1.214 1
99 1 9 1 "RMS(OBS, PRED)" CB 94 1.296 1
100 1 9 1 "RMS(OBS, PRED)" H 86 0.522 1
101 1 9 1 "RMS(OBS, PRED)" HA 101 0.248 1
102 1 9 1 "RMS(OBS, PRED)" N 86 3.074 1
103 1 9 2 "RMS(OBS, PRED)" C 0 0.000 1
104 1 9 2 "RMS(OBS, PRED)" CA 55 1.711 1
105 1 9 2 "RMS(OBS, PRED)" CB 53 1.303 1
106 1 9 2 "RMS(OBS, PRED)" H 42 0.392 1
107 1 9 2 "RMS(OBS, PRED)" HA 57 0.265 1
108 1 9 2 "RMS(OBS, PRED)" N 42 2.737 1
109 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 10 1 "RMS(OBS, PRED)" CA 97 1.348 1
111 1 10 1 "RMS(OBS, PRED)" CB 94 1.336 1
112 1 10 1 "RMS(OBS, PRED)" H 86 0.513 1
113 1 10 1 "RMS(OBS, PRED)" HA 101 0.242 1
114 1 10 1 "RMS(OBS, PRED)" N 86 2.887 1
115 1 10 2 "RMS(OBS, PRED)" C 0 0.000 1
116 1 10 2 "RMS(OBS, PRED)" CA 55 1.768 1
117 1 10 2 "RMS(OBS, PRED)" CB 53 1.245 1
118 1 10 2 "RMS(OBS, PRED)" H 42 0.460 1
119 1 10 2 "RMS(OBS, PRED)" HA 57 0.212 1
120 1 10 2 "RMS(OBS, PRED)" N 42 3.203 1
121 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
122 1 11 1 "RMS(OBS, PRED)" CA 97 1.321 1
123 1 11 1 "RMS(OBS, PRED)" CB 94 1.301 1
124 1 11 1 "RMS(OBS, PRED)" H 86 0.535 1
125 1 11 1 "RMS(OBS, PRED)" HA 101 0.233 1
126 1 11 1 "RMS(OBS, PRED)" N 86 2.964 1
127 1 11 2 "RMS(OBS, PRED)" C 0 0.000 1
128 1 11 2 "RMS(OBS, PRED)" CA 55 1.814 1
129 1 11 2 "RMS(OBS, PRED)" CB 53 1.344 1
130 1 11 2 "RMS(OBS, PRED)" H 42 0.437 1
131 1 11 2 "RMS(OBS, PRED)" HA 57 0.227 1
132 1 11 2 "RMS(OBS, PRED)" N 42 2.703 1
133 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
134 1 12 1 "RMS(OBS, PRED)" CA 97 1.351 1
135 1 12 1 "RMS(OBS, PRED)" CB 94 1.224 1
136 1 12 1 "RMS(OBS, PRED)" H 86 0.551 1
137 1 12 1 "RMS(OBS, PRED)" HA 101 0.245 1
138 1 12 1 "RMS(OBS, PRED)" N 86 2.950 1
139 1 12 2 "RMS(OBS, PRED)" C 0 0.000 1
140 1 12 2 "RMS(OBS, PRED)" CA 55 1.729 1
141 1 12 2 "RMS(OBS, PRED)" CB 53 1.200 1
142 1 12 2 "RMS(OBS, PRED)" H 42 0.410 1
143 1 12 2 "RMS(OBS, PRED)" HA 57 0.233 1
144 1 12 2 "RMS(OBS, PRED)" N 42 2.953 1
145 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
146 1 13 1 "RMS(OBS, PRED)" CA 97 1.270 1
147 1 13 1 "RMS(OBS, PRED)" CB 94 1.388 1
148 1 13 1 "RMS(OBS, PRED)" H 86 0.543 1
149 1 13 1 "RMS(OBS, PRED)" HA 101 0.247 1
150 1 13 1 "RMS(OBS, PRED)" N 86 3.254 1
151 1 13 2 "RMS(OBS, PRED)" C 0 0.000 1
152 1 13 2 "RMS(OBS, PRED)" CA 55 1.864 1
153 1 13 2 "RMS(OBS, PRED)" CB 53 1.247 1
154 1 13 2 "RMS(OBS, PRED)" H 42 0.488 1
155 1 13 2 "RMS(OBS, PRED)" HA 57 0.235 1
156 1 13 2 "RMS(OBS, PRED)" N 42 3.317 1
157 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
158 1 14 1 "RMS(OBS, PRED)" CA 97 1.223 1
159 1 14 1 "RMS(OBS, PRED)" CB 94 1.353 1
160 1 14 1 "RMS(OBS, PRED)" H 86 0.552 1
161 1 14 1 "RMS(OBS, PRED)" HA 101 0.225 1
162 1 14 1 "RMS(OBS, PRED)" N 86 2.927 1
163 1 14 2 "RMS(OBS, PRED)" C 0 0.000 1
164 1 14 2 "RMS(OBS, PRED)" CA 55 1.729 1
165 1 14 2 "RMS(OBS, PRED)" CB 53 1.120 1
166 1 14 2 "RMS(OBS, PRED)" H 42 0.411 1
167 1 14 2 "RMS(OBS, PRED)" HA 57 0.226 1
168 1 14 2 "RMS(OBS, PRED)" N 42 3.040 1
169 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
170 1 15 1 "RMS(OBS, PRED)" CA 97 1.244 1
171 1 15 1 "RMS(OBS, PRED)" CB 94 1.268 1
172 1 15 1 "RMS(OBS, PRED)" H 86 0.521 1
173 1 15 1 "RMS(OBS, PRED)" HA 101 0.239 1
174 1 15 1 "RMS(OBS, PRED)" N 86 3.013 1
175 1 15 2 "RMS(OBS, PRED)" C 0 0.000 1
176 1 15 2 "RMS(OBS, PRED)" CA 55 1.785 1
177 1 15 2 "RMS(OBS, PRED)" CB 53 1.523 1
178 1 15 2 "RMS(OBS, PRED)" H 42 0.468 1
179 1 15 2 "RMS(OBS, PRED)" HA 57 0.223 1
180 1 15 2 "RMS(OBS, PRED)" N 42 3.202 1
181 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
182 1 16 1 "RMS(OBS, PRED)" CA 97 1.331 1
183 1 16 1 "RMS(OBS, PRED)" CB 94 1.347 1
184 1 16 1 "RMS(OBS, PRED)" H 86 0.546 1
185 1 16 1 "RMS(OBS, PRED)" HA 101 0.249 1
186 1 16 1 "RMS(OBS, PRED)" N 86 2.941 1
187 1 16 2 "RMS(OBS, PRED)" C 0 0.000 1
188 1 16 2 "RMS(OBS, PRED)" CA 55 1.663 1
189 1 16 2 "RMS(OBS, PRED)" CB 53 1.603 1
190 1 16 2 "RMS(OBS, PRED)" H 42 0.418 1
191 1 16 2 "RMS(OBS, PRED)" HA 57 0.269 1
192 1 16 2 "RMS(OBS, PRED)" N 42 3.105 1
193 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
194 1 17 1 "RMS(OBS, PRED)" CA 97 1.249 1
195 1 17 1 "RMS(OBS, PRED)" CB 94 1.344 1
196 1 17 1 "RMS(OBS, PRED)" H 86 0.541 1
197 1 17 1 "RMS(OBS, PRED)" HA 101 0.230 1
198 1 17 1 "RMS(OBS, PRED)" N 86 2.887 1
199 1 17 2 "RMS(OBS, PRED)" C 0 0.000 1
200 1 17 2 "RMS(OBS, PRED)" CA 55 1.823 1
201 1 17 2 "RMS(OBS, PRED)" CB 53 1.312 1
202 1 17 2 "RMS(OBS, PRED)" H 42 0.430 1
203 1 17 2 "RMS(OBS, PRED)" HA 57 0.238 1
204 1 17 2 "RMS(OBS, PRED)" N 42 3.153 1
205 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
206 1 18 1 "RMS(OBS, PRED)" CA 97 1.239 1
207 1 18 1 "RMS(OBS, PRED)" CB 94 1.448 1
208 1 18 1 "RMS(OBS, PRED)" H 86 0.536 1
209 1 18 1 "RMS(OBS, PRED)" HA 101 0.258 1
210 1 18 1 "RMS(OBS, PRED)" N 86 2.952 1
211 1 18 2 "RMS(OBS, PRED)" C 0 0.000 1
212 1 18 2 "RMS(OBS, PRED)" CA 55 1.821 1
213 1 18 2 "RMS(OBS, PRED)" CB 53 1.294 1
214 1 18 2 "RMS(OBS, PRED)" H 42 0.449 1
215 1 18 2 "RMS(OBS, PRED)" HA 57 0.247 1
216 1 18 2 "RMS(OBS, PRED)" N 42 3.426 1
217 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
218 1 19 1 "RMS(OBS, PRED)" CA 97 1.348 1
219 1 19 1 "RMS(OBS, PRED)" CB 94 1.314 1
220 1 19 1 "RMS(OBS, PRED)" H 86 0.526 1
221 1 19 1 "RMS(OBS, PRED)" HA 101 0.253 1
222 1 19 1 "RMS(OBS, PRED)" N 86 3.041 1
223 1 19 2 "RMS(OBS, PRED)" C 0 0.000 1
224 1 19 2 "RMS(OBS, PRED)" CA 55 1.739 1
225 1 19 2 "RMS(OBS, PRED)" CB 53 1.273 1
226 1 19 2 "RMS(OBS, PRED)" H 42 0.492 1
227 1 19 2 "RMS(OBS, PRED)" HA 57 0.280 1
228 1 19 2 "RMS(OBS, PRED)" N 42 3.117 1
229 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
230 1 20 1 "RMS(OBS, PRED)" CA 97 1.265 1
231 1 20 1 "RMS(OBS, PRED)" CB 94 1.263 1
232 1 20 1 "RMS(OBS, PRED)" H 86 0.532 1
233 1 20 1 "RMS(OBS, PRED)" HA 101 0.231 1
234 1 20 1 "RMS(OBS, PRED)" N 86 2.894 1
235 1 20 2 "RMS(OBS, PRED)" C 0 0.000 1
236 1 20 2 "RMS(OBS, PRED)" CA 55 1.824 1
237 1 20 2 "RMS(OBS, PRED)" CB 53 1.339 1
238 1 20 2 "RMS(OBS, PRED)" H 42 0.465 1
239 1 20 2 "RMS(OBS, PRED)" HA 57 0.281 1
240 1 20 2 "RMS(OBS, PRED)" N 42 2.738 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 15 . 1 1 A 3 3 GLY HA2 H 342 4.141 4.155 -0.014 2
1 16 . 1 1 A 3 3 GLY HA3 H 342 4.238 4.155 0.083 2
1 39 . 1 1 A 6 6 ALA H H 345 8.269 7.665 0.604 2
1 46 . 1 1 A 6 6 ALA N N 345 126.619 123.531 3.088 2
1 90 . 1 1 A 11 11 ARG H H 350 7.845 8.106 -0.261 2
1 102 . 1 1 A 11 11 ARG N N 350 117.178 119.451 -2.273 2
1 103 . 1 1 A 12 12 LYS H H 351 7.888 7.631 0.256 2
1 112 . 1 1 A 12 12 LYS N N 351 117.745 118.900 -1.155 2
1 160 . 1 1 A 16 16 GLN H H 355 8.192 8.101 0.091 2
1 171 . 1 1 A 16 16 GLN N N 355 117.178 118.642 -1.464 2
1 234 . 1 1 A 21 21 LEU H H 360 8.278 8.000 0.279 2
1 250 . 1 1 A 21 21 LEU N N 360 121.144 119.582 1.562 2
1 325 . 1 1 A 29 29 ARG H H 368 7.635 7.681 -0.046 2
1 337 . 1 1 A 29 29 ARG N N 368 119.444 118.807 0.637 2
1 387 . 1 1 A 35 35 GLY HA2 H 374 3.943 3.933 0.010 2
1 388 . 1 1 A 35 35 GLY HA3 H 374 4.044 3.934 0.110 2
1 391 . 1 1 A 36 36 GLU H H 375 8.132 8.099 0.033 2
1 400 . 1 1 A 36 36 GLU N N 375 119.822 118.624 1.198 2
1 416 . 1 1 A 38 38 ARG HA H 377 4.392 4.579 -0.186 2
1 424 . 1 1 A 38 38 ARG CB C 377 31.060 31.278 -0.218 2
1 436 . 1 1 A 40 40 CYS H H 379 8.480 8.266 0.214 2
1 442 . 1 1 A 40 40 CYS N N 379 123.787 117.752 6.035 2
1 477 . 1 1 A 44 44 HIS HA H 383 4.527 4.906 -0.379 2
1 483 . 1 1 A 44 44 HIS CB C 383 30.369 30.038 0.331 2
1 623 . 1 1 A 56 56 THR H H 395 7.521 7.739 -0.218 2
1 632 . 1 1 A 56 56 THR N N 395 110.758 115.226 -4.468 2
1 633 . 1 1 A 57 57 HIS H H 396 7.023 7.839 -0.816 2
1 634 . 1 1 A 57 57 HIS HA H 396 4.846 4.730 0.116 2
1 639 . 1 1 A 57 57 HIS CA C 396 55.023 56.138 -1.115 2
1 640 . 1 1 A 57 57 HIS CB C 396 30.830 31.504 -0.674 2
1 643 . 1 1 A 57 57 HIS N N 396 115.668 115.655 0.013 2
1 644 . 1 1 A 58 58 CYS H H 397 7.134 7.495 -0.361 2
1 645 . 1 1 A 58 58 CYS HA H 397 4.048 4.170 -0.122 2
1 648 . 1 1 A 58 58 CYS CA C 397 60.784 59.833 0.951 2
1 649 . 1 1 A 58 58 CYS CB C 397 29.678 28.037 1.641 2
1 650 . 1 1 A 58 58 CYS N N 397 123.598 118.766 4.832 2
1 651 . 1 1 A 59 59 GLN HA H 398 4.710 4.670 0.040 2
1 656 . 1 1 A 59 59 GLN CA C 398 55.023 55.662 -0.639 2
1 657 . 1 1 A 59 59 GLN CB C 398 29.678 29.882 -0.204 2
1 659 . 1 1 A 60 60 ALA H H 399 8.689 7.461 1.228 2
1 660 . 1 1 A 60 60 ALA HA H 399 4.414 4.283 0.131 2
1 664 . 1 1 A 60 60 ALA CA C 399 52.949 52.128 0.821 2
1 665 . 1 1 A 60 60 ALA CB C 399 20.001 19.460 0.541 2
1 666 . 1 1 A 60 60 ALA N N 399 124.731 122.231 2.500 2
1 667 . 1 1 A 61 61 GLY H H 400 8.166 8.315 -0.149 2
1 668 . 1 1 A 61 61 GLY HA2 H 400 3.621 3.878 -0.257 2
1 669 . 1 1 A 61 61 GLY HA3 H 400 3.976 3.884 0.092 2
1 670 . 1 1 A 61 61 GLY CA C 400 46.267 46.923 -0.656 2
1 671 . 1 1 A 61 61 GLY N N 400 107.926 107.509 0.417 2
1 672 . 1 1 A 62 62 LYS HA H 401 4.138 4.280 -0.142 2
1 673 . 1 1 A 62 62 LYS CA C 401 58.479 57.446 1.033 2
1 674 . 1 1 A 63 63 ALA H H 402 7.671 7.701 -0.030 2
1 675 . 1 1 A 63 63 ALA HA H 402 4.448 4.506 -0.058 2
1 679 . 1 1 A 63 63 ALA CA C 402 51.336 51.399 -0.063 2
1 680 . 1 1 A 63 63 ALA CB C 402 19.079 20.271 -1.192 2
1 681 . 1 1 A 63 63 ALA N N 402 119.444 121.136 -1.692 2
1 682 . 1 1 A 64 64 CYS H H 403 7.497 7.491 0.006 2
1 683 . 1 1 A 64 64 CYS HA H 403 3.857 4.372 -0.515 2
1 686 . 1 1 A 64 64 CYS CA C 403 62.396 59.585 2.811 2
1 687 . 1 1 A 64 64 CYS CB C 403 29.908 28.646 1.262 2
1 688 . 1 1 A 64 64 CYS N N 403 121.899 118.493 3.406 2
1 689 . 1 1 A 65 65 GLN H H 404 9.025 8.755 0.270 2
1 690 . 1 1 A 65 65 GLN HA H 404 4.463 4.220 0.243 2
1 697 . 1 1 A 65 65 GLN CA C 404 55.673 57.398 -1.725 2
1 698 . 1 1 A 65 65 GLN CB C 404 29.332 29.020 0.312 2
1 700 . 1 1 A 65 65 GLN N N 404 128.885 123.911 4.974 2
1 702 . 1 1 A 66 66 VAL H H 405 9.337 7.266 2.071 2
1 703 . 1 1 A 66 66 VAL HA H 405 3.631 4.122 -0.491 2
1 711 . 1 1 A 66 66 VAL CA C 405 64.240 62.753 1.487 2
1 712 . 1 1 A 66 66 VAL CB C 405 30.830 31.045 -0.215 2
1 715 . 1 1 A 66 66 VAL N N 405 127.752 120.177 7.576 2
1 716 . 1 1 A 67 67 ALA H H 406 8.581 8.725 -0.144 2
1 717 . 1 1 A 67 67 ALA HA H 406 3.761 3.903 -0.142 2
1 721 . 1 1 A 67 67 ALA CA C 406 54.101 55.303 -1.202 2
1 722 . 1 1 A 67 67 ALA CB C 406 17.467 18.191 -0.724 2
1 723 . 1 1 A 67 67 ALA N N 406 133.983 130.189 3.794 2
1 724 . 1 1 A 68 68 HIS H H 407 8.099 7.627 0.472 2
1 725 . 1 1 A 68 68 HIS HA H 407 4.407 4.431 -0.024 2
1 730 . 1 1 A 68 68 HIS CA C 407 57.327 58.618 -1.291 2
1 731 . 1 1 A 68 68 HIS CB C 407 29.447 29.781 -0.334 2
1 734 . 1 1 A 68 68 HIS N N 407 110.569 114.729 -4.160 2
1 735 . 1 1 A 69 69 CYS H H 408 8.086 7.851 0.235 2
1 736 . 1 1 A 69 69 CYS HA H 408 4.163 4.081 0.082 2
1 739 . 1 1 A 69 69 CYS CA C 408 64.240 62.425 1.815 2
1 740 . 1 1 A 69 69 CYS CB C 408 29.908 27.093 2.815 2
1 741 . 1 1 A 69 69 CYS N N 408 126.619 118.755 7.864 2
1 742 . 1 1 A 70 70 ALA H H 409 8.728 7.899 0.829 2
1 743 . 1 1 A 70 70 ALA HA H 409 4.333 4.058 0.275 2
1 747 . 1 1 A 70 70 ALA CA C 409 55.253 55.453 -0.200 2
1 748 . 1 1 A 70 70 ALA CB C 409 17.697 18.126 -0.429 2
1 749 . 1 1 A 70 70 ALA N N 409 118.689 123.076 -4.387 2
1 750 . 1 1 A 71 71 SER H H 410 9.179 8.137 1.042 2
1 751 . 1 1 A 71 71 SER HA H 410 4.138 4.151 -0.013 2
1 754 . 1 1 A 71 71 SER CA C 410 60.323 61.807 -1.484 2
1 755 . 1 1 A 71 71 SER CB C 410 61.244 62.808 -1.564 2
1 756 . 1 1 A 71 71 SER N N 410 114.535 113.641 0.894 2
1 757 . 1 1 A 72 72 SER H H 411 7.937 8.223 -0.286 2
1 758 . 1 1 A 72 72 SER HA H 411 4.048 4.180 -0.132 2
1 762 . 1 1 A 72 72 SER CA C 411 64.240 61.661 2.579 2
1 763 . 1 1 A 72 72 SER CB C 411 62.396 62.894 -0.498 2
1 764 . 1 1 A 72 72 SER N N 411 120.766 117.197 3.569 2
1 765 . 1 1 A 73 73 ARG H H 412 8.835 8.243 0.592 2
1 766 . 1 1 A 73 73 ARG HA H 412 3.855 4.022 -0.167 2
1 773 . 1 1 A 73 73 ARG CA C 412 60.323 59.643 0.680 2
1 774 . 1 1 A 73 73 ARG CB C 412 30.369 29.955 0.414 2
1 777 . 1 1 A 73 73 ARG N N 412 122.276 121.547 0.729 2
1 778 . 1 1 A 74 74 GLN H H 413 7.873 7.460 0.413 2
1 779 . 1 1 A 74 74 GLN HA H 413 4.182 4.180 0.002 2
1 786 . 1 1 A 74 74 GLN CA C 413 58.710 58.514 0.196 2
1 787 . 1 1 A 74 74 GLN CB C 413 29.447 28.632 0.815 2
1 789 . 1 1 A 74 74 GLN N N 413 118.689 118.762 -0.073 2
1 791 . 1 1 A 75 75 ILE H H 414 8.754 8.378 0.376 2
1 792 . 1 1 A 75 75 ILE HA H 414 3.617 3.947 -0.331 2
1 802 . 1 1 A 75 75 ILE CA C 414 66.544 64.613 1.931 2
1 803 . 1 1 A 75 75 ILE CB C 414 38.664 37.515 1.149 2
1 807 . 1 1 A 75 75 ILE N N 414 121.710 119.930 1.780 2
1 808 . 1 1 A 76 76 ILE H H 415 8.856 8.307 0.549 2
1 809 . 1 1 A 76 76 ILE HA H 415 3.863 3.635 0.228 2
1 819 . 1 1 A 76 76 ILE CA C 415 64.701 65.324 -0.623 2
1 820 . 1 1 A 76 76 ILE CB C 415 37.051 37.659 -0.608 2
1 824 . 1 1 A 76 76 ILE N N 415 120.199 122.908 -2.709 2
1 825 . 1 1 A 77 77 SER H H 416 7.981 8.009 -0.028 2
1 826 . 1 1 A 77 77 SER HA H 416 4.153 4.190 -0.037 2
1 829 . 1 1 A 77 77 SER CA C 416 62.166 62.054 0.112 2
1 830 . 1 1 A 77 77 SER CB C 416 62.627 63.089 -0.462 2
1 831 . 1 1 A 77 77 SER N N 416 114.346 116.236 -1.890 2
1 832 . 1 1 A 78 78 HIS H H 417 8.126 7.516 0.610 2
1 833 . 1 1 A 78 78 HIS HA H 417 4.154 4.422 -0.268 2
1 838 . 1 1 A 78 78 HIS CA C 417 60.553 59.555 0.998 2
1 839 . 1 1 A 78 78 HIS CB C 417 28.065 30.242 -2.177 2
1 842 . 1 1 A 78 78 HIS N N 417 118.878 121.236 -2.358 2
1 843 . 1 1 A 79 79 TRP H H 418 8.417 8.088 0.329 2
1 844 . 1 1 A 79 79 TRP HA H 418 4.451 4.218 0.233 2
1 853 . 1 1 A 79 79 TRP CA C 418 59.862 60.350 -0.488 2
1 854 . 1 1 A 79 79 TRP CB C 418 30.369 29.774 0.595 2
1 860 . 1 1 A 79 79 TRP N N 418 119.255 121.376 -2.121 2
1 862 . 1 1 A 80 80 LYS H H 419 8.412 8.120 0.292 2
1 863 . 1 1 A 80 80 LYS HA H 419 3.714 3.962 -0.248 2
1 872 . 1 1 A 80 80 LYS CA C 419 58.710 58.324 0.386 2
1 873 . 1 1 A 80 80 LYS CB C 419 32.673 32.182 0.491 2
1 877 . 1 1 A 80 80 LYS N N 419 115.101 118.160 -3.059 2
1 878 . 1 1 A 81 81 ASN H H 420 7.416 7.793 -0.377 2
1 879 . 1 1 A 81 81 ASN HA H 420 4.713 4.762 -0.049 2
1 884 . 1 1 A 81 81 ASN CA C 420 53.410 53.791 -0.381 2
1 885 . 1 1 A 81 81 ASN CB C 420 40.737 41.222 -0.485 2
1 886 . 1 1 A 81 81 ASN N N 420 113.968 114.515 -0.547 2
1 888 . 1 1 A 82 82 CYS H H 421 7.617 7.619 -0.002 2
1 889 . 1 1 A 82 82 CYS HA H 421 3.986 4.262 -0.276 2
1 892 . 1 1 A 82 82 CYS CA C 421 61.244 59.882 1.363 2
1 893 . 1 1 A 82 82 CYS CB C 421 28.756 27.965 0.791 2
1 894 . 1 1 A 82 82 CYS N N 421 124.354 118.454 5.900 2
1 895 . 1 1 A 83 83 THR H H 422 8.535 8.556 -0.021 2
1 896 . 1 1 A 83 83 THR HA H 422 4.527 4.559 -0.032 2
1 901 . 1 1 A 83 83 THR CA C 422 60.553 61.525 -0.972 2
1 902 . 1 1 A 83 83 THR CB C 422 69.309 70.460 -1.151 2
1 904 . 1 1 A 83 83 THR N N 422 118.500 117.365 1.135 2
1 905 . 1 1 A 84 84 ARG HA H 423 4.448 4.186 0.262 2
1 912 . 1 1 A 84 84 ARG CA C 423 56.175 56.335 -0.160 2
1 913 . 1 1 A 84 84 ARG CB C 423 31.521 31.030 0.491 2
1 916 . 1 1 A 85 85 HIS HA H 424 4.391 4.475 -0.084 2
1 921 . 1 1 A 85 85 HIS CA C 424 58.479 57.890 0.589 2
1 922 . 1 1 A 85 85 HIS CB C 424 30.138 29.364 0.774 2
1 925 . 1 1 A 86 86 ASP H H 425 7.962 8.053 -0.091 2
1 926 . 1 1 A 86 86 ASP HA H 425 4.525 4.677 -0.152 2
1 929 . 1 1 A 86 86 ASP CA C 425 51.567 53.123 -1.556 2
1 930 . 1 1 A 86 86 ASP CB C 425 39.585 41.376 -1.791 2
1 931 . 1 1 A 86 86 ASP N N 425 116.612 116.097 0.515 2
1 932 . 1 1 A 87 87 CYS H H 426 6.974 7.049 -0.075 2
1 933 . 1 1 A 87 87 CYS HA H 426 4.247 4.433 -0.186 2
1 936 . 1 1 A 87 87 CYS CA C 426 57.558 57.795 -0.237 2
1 937 . 1 1 A 87 87 CYS CB C 426 31.291 28.703 2.588 2
1 938 . 1 1 A 87 87 CYS N N 426 122.276 120.690 1.586 2
1 939 . 1 1 A 88 88 PRO HA H 427 4.445 4.332 0.113 2
1 944 . 1 1 A 88 88 PRO CA C 427 64.009 65.214 -1.205 2
1 945 . 1 1 A 88 88 PRO CB C 427 32.558 31.879 0.679 2
1 947 . 1 1 A 89 89 VAL H H 428 8.460 7.392 1.068 2
1 948 . 1 1 A 89 89 VAL HA H 428 3.719 3.854 -0.135 2
1 956 . 1 1 A 89 89 VAL CA C 428 65.622 65.081 0.541 2
1 957 . 1 1 A 89 89 VAL CB C 428 33.134 31.968 1.166 2
1 960 . 1 1 A 89 89 VAL N N 428 119.822 115.559 4.263 2
1 961 . 1 1 A 90 90 CYS H H 429 8.729 8.024 0.705 2
1 962 . 1 1 A 90 90 CYS HA H 429 4.225 4.276 -0.051 2
1 965 . 1 1 A 90 90 CYS CA C 429 63.779 62.790 0.989 2
1 966 . 1 1 A 90 90 CYS CB C 429 31.291 26.798 4.493 2
1 967 . 1 1 A 90 90 CYS N N 429 118.878 117.846 1.032 2
1 968 . 1 1 A 91 91 LEU H H 430 7.907 8.180 -0.273 2
1 969 . 1 1 A 91 91 LEU HA H 430 4.214 4.089 0.125 2
1 979 . 1 1 A 91 91 LEU CA C 430 60.323 60.261 0.062 2
1 980 . 1 1 A 91 91 LEU CB C 430 39.125 40.115 -0.990 2
1 984 . 1 1 A 91 91 LEU N N 430 118.878 123.138 -4.260 2
1 985 . 1 1 A 92 92 PRO HA H 431 4.460 4.343 0.117 2
1 992 . 1 1 A 92 92 PRO CA C 431 65.161 65.848 -0.687 2
1 993 . 1 1 A 92 92 PRO CB C 431 31.291 30.771 0.520 2
1 996 . 1 1 A 93 93 LEU H H 432 7.459 7.376 0.083 2
1 997 . 1 1 A 93 93 LEU HA H 432 4.359 3.863 0.496 2
1 1007 . 1 1 A 93 93 LEU CA C 432 55.945 57.418 -1.473 2
1 1008 . 1 1 A 93 93 LEU CB C 432 42.350 40.982 1.368 2
1 1012 . 1 1 A 93 93 LEU N N 432 115.290 116.414 -1.124 2
1 1013 . 1 1 A 94 94 LYS H H 433 7.975 8.571 -0.596 2
1 1014 . 1 1 A 94 94 LYS HA H 433 4.390 4.237 0.153 2
1 1022 . 1 1 A 94 94 LYS CA C 433 57.558 59.857 -2.299 2
1 1023 . 1 1 A 94 94 LYS CB C 433 33.134 32.183 0.951 2
1 1027 . 1 1 A 94 94 LYS N N 433 119.255 118.115 1.140 2
1 1028 . 1 1 A 95 95 ASN H H 434 8.368 8.167 0.201 2
1 1029 . 1 1 A 95 95 ASN HA H 434 4.733 4.525 0.208 2
1 1034 . 1 1 A 95 95 ASN CA C 434 53.410 56.113 -2.703 2
1 1035 . 1 1 A 95 95 ASN CB C 434 38.894 38.503 0.391 2
1 1036 . 1 1 A 95 95 ASN N N 434 117.934 117.956 -0.022 2
1 1038 . 1 1 A 96 96 ALA H H 435 8.040 8.308 -0.268 2
1 1039 . 1 1 A 96 96 ALA HA H 435 4.376 4.140 0.236 2
1 1043 . 1 1 A 96 96 ALA CA C 435 52.949 54.338 -1.389 2
1 1044 . 1 1 A 96 96 ALA CB C 435 19.310 18.596 0.714 2
1 1045 . 1 1 A 96 96 ALA N N 435 123.221 121.744 1.477 2
1 1046 . 1 1 A 97 97 SER H H 436 8.138 7.919 0.219 2
1 1047 . 1 1 A 97 97 SER HA H 436 4.450 4.637 -0.187 2
1 1050 . 1 1 A 97 97 SER CA C 436 58.710 57.970 0.740 2
1 1051 . 1 1 A 97 97 SER CB C 436 63.779 64.005 -0.226 2
1 1052 . 1 1 A 97 97 SER N N 436 113.591 110.625 2.966 2
1 1053 . 1 1 A 98 98 ASP H H 437 8.214 8.002 0.212 2
1 1054 . 1 1 A 98 98 ASP HA H 437 4.662 4.842 -0.180 2
1 1057 . 1 1 A 98 98 ASP CA C 437 54.332 54.258 0.074 2
1 1058 . 1 1 A 98 98 ASP CB C 437 41.198 42.651 -1.453 2
1 1059 . 1 1 A 98 98 ASP N N 437 121.521 122.029 -0.508 2
1 1060 . 1 1 A 99 99 LYS H H 438 8.062 8.250 -0.188 2
1 1061 . 1 1 A 99 99 LYS HA H 438 4.363 4.235 0.128 2
1 1070 . 1 1 A 99 99 LYS CA C 438 55.945 57.511 -1.566 2
1 1071 . 1 1 A 99 99 LYS CB C 438 32.720 32.477 0.243 2
1 1075 . 1 1 A 99 99 LYS N N 438 121.144 121.537 -0.393 2
1 1092 . 2 2 B 2 2 SER HA H 783 4.524 4.437 0.087 2
1 1095 . 2 2 B 2 2 SER CA C 783 58.053 61.091 -3.038 2
1 1096 . 2 2 B 2 2 SER CB C 783 64.502 66.959 -2.457 2
1 1097 . 2 2 B 3 3 HIS HA H 784 4.721 4.746 -0.025 2
1 1102 . 2 2 B 3 3 HIS CA C 784 55.750 50.798 4.952 2
1 1103 . 2 2 B 3 3 HIS CB C 784 30.167 31.275 -1.108 2
1 1106 . 2 2 B 4 4 MET HA H 785 4.495 4.501 -0.006 2
1 1114 . 2 2 B 4 4 MET CA C 785 55.058 59.773 -4.715 2
1 1115 . 2 2 B 4 4 MET CB C 785 32.727 33.337 -0.610 2
1 1118 . 2 2 B 5 5 VAL H H 786 8.163 8.166 -0.003 2
1 1119 . 2 2 B 5 5 VAL HA H 786 4.464 4.439 0.025 2
1 1127 . 2 2 B 5 5 VAL CA C 786 59.478 61.167 -1.689 2
1 1128 . 2 2 B 5 5 VAL CB C 786 32.606 50.975 -18.369 2
1 1131 . 2 2 B 5 5 VAL N N 786 122.854 113.966 8.888 2
1 1132 . 2 2 B 6 6 PRO HA H 787 4.437 4.577 -0.140 2
1 1137 . 2 2 B 6 6 PRO CA C 787 62.667 57.357 5.310 2
1 1138 . 2 2 B 6 6 PRO CB C 787 32.010 26.517 5.493 2
1 1140 . 2 2 B 7 7 GLU H H 788 8.306 8.236 0.070 2
1 1141 . 2 2 B 7 7 GLU HA H 788 4.654 4.614 0.040 2
1 1146 . 2 2 B 7 7 GLU CA C 788 53.568 53.414 0.154 2
1 1147 . 2 2 B 7 7 GLU CB C 788 30.011 36.121 -6.110 2
1 1149 . 2 2 B 7 7 GLU N N 788 123.231 120.527 2.704 2
1 1150 . 2 2 B 8 8 PRO HA H 789 4.490 4.411 0.079 2
1 1157 . 2 2 B 8 8 PRO CA C 789 62.253 64.062 -1.809 2
1 1158 . 2 2 B 8 8 PRO CB C 789 32.483 32.038 0.445 2
1 1161 . 2 2 B 9 9 ASP H H 790 8.272 8.232 0.040 2
1 1162 . 2 2 B 9 9 ASP HA H 790 4.456 4.367 0.089 2
1 1165 . 2 2 B 9 9 ASP CA C 790 54.137 54.094 0.043 2
1 1166 . 2 2 B 9 9 ASP CB C 790 41.016 34.940 6.076 2
1 1167 . 2 2 B 9 9 ASP N N 790 118.511 119.182 -0.671 2
1 1168 . 2 2 B 10 10 LEU H H 791 8.463 8.199 0.264 2
1 1169 . 2 2 B 10 10 LEU HA H 791 4.356 4.143 0.213 2
1 1179 . 2 2 B 10 10 LEU CA C 791 52.531 56.427 -3.896 2
1 1180 . 2 2 B 10 10 LEU CB C 791 42.609 37.659 4.950 2
1 1184 . 2 2 B 10 10 LEU N N 791 121.343 123.347 -2.004 2
1 1185 . 2 2 B 11 11 PRO HA H 792 4.553 4.212 0.341 2
1 1192 . 2 2 B 11 11 PRO CA C 792 62.788 61.238 1.550 2
1 1193 . 2 2 B 11 11 PRO CB C 792 32.716 31.048 1.668 2
1 1196 . 2 2 B 12 12 HIS HA H 793 3.989 4.187 -0.198 2
1 1201 . 2 2 B 12 12 HIS CA C 793 60.326 59.432 0.894 2
1 1202 . 2 2 B 12 12 HIS CB C 793 30.803 31.051 -0.248 2
1 1205 . 2 2 B 13 13 ASP H H 794 8.938 8.330 0.608 2
1 1206 . 2 2 B 13 13 ASP HA H 794 4.460 4.171 0.289 2
1 1209 . 2 2 B 13 13 ASP CA C 794 54.581 57.336 -2.755 2
1 1210 . 2 2 B 13 13 ASP CB C 794 38.061 40.664 -2.603 2
1 1211 . 2 2 B 13 13 ASP N N 794 114.734 119.210 -4.476 2
1 1212 . 2 2 B 14 14 LEU H H 795 7.674 7.657 0.017 2
1 1213 . 2 2 B 14 14 LEU HA H 795 4.546 4.021 0.525 2
1 1223 . 2 2 B 14 14 LEU CA C 795 53.478 60.191 -6.713 2
1 1224 . 2 2 B 14 14 LEU CB C 795 43.597 39.846 3.751 2
1 1228 . 2 2 B 14 14 LEU N N 795 116.056 117.674 -1.618 2
1 1229 . 2 2 B 15 15 ARG H H 796 7.225 8.093 -0.868 2
1 1230 . 2 2 B 15 15 ARG HA H 796 3.809 3.892 -0.083 2
1 1237 . 2 2 B 15 15 ARG CA C 796 58.744 59.340 -0.596 2
1 1238 . 2 2 B 15 15 ARG CB C 796 30.413 29.017 1.396 2
1 1241 . 2 2 B 15 15 ARG N N 796 116.434 120.236 -3.802 2
1 1242 . 2 2 B 16 16 HIS HA H 797 4.703 4.226 0.477 2
1 1247 . 2 2 B 16 16 HIS CA C 797 55.289 58.916 -3.627 2
1 1248 . 2 2 B 16 16 HIS CB C 797 29.538 29.219 0.319 2
1 1251 . 2 2 B 17 17 LEU H H 798 6.982 7.547 -0.565 2
1 1252 . 2 2 B 17 17 LEU HA H 798 4.071 4.049 0.022 2
1 1262 . 2 2 B 17 17 LEU CA C 798 54.807 56.980 -2.173 2
1 1263 . 2 2 B 17 17 LEU CB C 798 42.206 35.173 7.033 2
1 1267 . 2 2 B 17 17 LEU N N 798 120.399 120.010 0.389 2
1 1268 . 2 2 B 18 18 ASN H H 799 8.789 8.358 0.431 2
1 1269 . 2 2 B 18 18 ASN HA H 799 4.857 4.425 0.432 2
1 1274 . 2 2 B 18 18 ASN CA C 799 52.166 55.579 -3.413 2
1 1275 . 2 2 B 18 18 ASN CB C 799 37.842 40.172 -2.330 2
1 1276 . 2 2 B 18 18 ASN N N 799 121.343 122.163 -0.820 2
1 1278 . 2 2 B 19 19 THR H H 800 8.585 8.366 0.219 2
1 1279 . 2 2 B 19 19 THR HA H 800 4.522 3.906 0.616 2
1 1284 . 2 2 B 19 19 THR CA C 800 62.143 65.181 -3.038 2
1 1285 . 2 2 B 19 19 THR CB C 800 68.865 50.194 18.672 2
1 1287 . 2 2 B 19 19 THR N N 800 115.301 118.599 -3.298 2
1 1288 . 2 2 B 20 20 GLU H H 801 8.415 8.169 0.246 2
1 1289 . 2 2 B 20 20 GLU HA H 801 4.337 4.042 0.295 2
1 1294 . 2 2 B 20 20 GLU CA C 801 61.496 60.204 1.292 2
1 1295 . 2 2 B 20 20 GLU CB C 801 26.493 34.491 -7.998 2
1 1297 . 2 2 B 20 20 GLU N N 801 125.119 121.495 3.624 2
1 1298 . 2 2 B 21 21 PRO HA H 802 4.422 4.184 0.238 2
1 1305 . 2 2 B 21 21 PRO CA C 802 64.520 61.667 2.853 2
1 1306 . 2 2 B 21 21 PRO CB C 802 31.355 36.096 -4.741 2
1 1309 . 2 2 B 22 22 MET H H 803 7.303 7.901 -0.598 2
1 1310 . 2 2 B 22 22 MET HA H 803 4.062 3.995 0.067 2
1 1318 . 2 2 B 22 22 MET CA C 803 55.686 57.901 -2.215 2
1 1319 . 2 2 B 22 22 MET CB C 803 33.481 36.619 -3.138 2
1 1322 . 2 2 B 22 22 MET N N 803 110.769 116.787 -6.018 2
1 1323 . 2 2 B 23 23 GLU H H 804 7.624 8.082 -0.459 2
1 1324 . 2 2 B 23 23 GLU HA H 804 3.918 4.109 -0.191 2
1 1329 . 2 2 B 23 23 GLU CA C 804 59.221 59.398 -0.177 2
1 1330 . 2 2 B 23 23 GLU CB C 804 28.993 29.582 -0.589 2
1 1332 . 2 2 B 23 23 GLU N N 804 118.699 118.155 0.544 2
1 1333 . 2 2 B 24 24 ILE H H 805 6.626 7.640 -1.014 2
1 1334 . 2 2 B 24 24 ILE HA H 805 3.999 3.849 0.150 2
1 1344 . 2 2 B 24 24 ILE CA C 805 62.734 59.503 3.231 2
1 1345 . 2 2 B 24 24 ILE CB C 805 37.574 27.463 10.111 2
1 1349 . 2 2 B 24 24 ILE N N 805 111.524 118.431 -6.907 2
1 1350 . 2 2 B 25 25 PHE H H 806 7.515 7.727 -0.212 2
1 1351 . 2 2 B 25 25 PHE HA H 806 4.524 4.312 0.212 2
1 1358 . 2 2 B 25 25 PHE CA C 806 55.760 60.502 -4.742 2
1 1359 . 2 2 B 25 25 PHE CB C 806 38.464 34.235 4.229 2
1 1362 . 2 2 B 25 25 PHE N N 806 118.322 119.557 -1.235 2
1 1363 . 2 2 B 26 26 ARG H H 807 7.368 7.812 -0.444 2
1 1364 . 2 2 B 26 26 ARG HA H 807 4.024 3.971 0.053 2
1 1371 . 2 2 B 26 26 ARG CA C 807 58.864 59.031 -0.167 2
1 1372 . 2 2 B 26 26 ARG CB C 807 30.872 30.970 -0.098 2
1 1375 . 2 2 B 26 26 ARG N N 807 118.888 119.808 -0.920 2
1 1376 . 2 2 B 27 27 ASN H H 808 8.877 8.097 0.780 2
1 1377 . 2 2 B 27 27 ASN HA H 808 4.732 4.496 0.236 2
1 1382 . 2 2 B 27 27 ASN CA C 808 53.413 57.214 -3.801 2
1 1383 . 2 2 B 27 27 ASN CB C 808 38.244 33.040 5.204 2
1 1384 . 2 2 B 27 27 ASN N N 808 117.000 117.175 -0.175 2
1 1386 . 2 2 B 28 28 SER H H 809 7.969 8.165 -0.196 2
1 1387 . 2 2 B 28 28 SER HA H 809 4.440 4.355 0.085 2
1 1390 . 2 2 B 28 28 SER CA C 809 60.606 58.503 2.103 2
1 1391 . 2 2 B 28 28 SER CB C 809 64.021 46.456 17.565 2
1 1392 . 2 2 B 28 28 SER N N 809 114.356 117.872 -3.516 2
1 1393 . 2 2 B 29 29 VAL HA H 810 4.304 4.421 -0.117 2
1 1401 . 2 2 B 29 29 VAL CA C 810 60.803 59.781 1.022 2
1 1402 . 2 2 B 29 29 VAL CB C 810 34.232 33.372 0.860 2
1 1405 . 2 2 B 30 30 LYS H H 811 8.707 8.225 0.482 2
1 1406 . 2 2 B 30 30 LYS HA H 811 4.552 4.371 0.181 2
1 1415 . 2 2 B 30 30 LYS CA C 811 55.058 57.173 -2.115 2
1 1416 . 2 2 B 30 30 LYS CB C 811 31.782 31.391 0.391 2
1 1420 . 2 2 B 30 30 LYS N N 811 127.196 121.734 5.462 2
1 1421 . 2 2 B 31 31 ILE H H 812 8.604 8.267 0.337 2
1 1422 . 2 2 B 31 31 ILE HA H 812 3.662 3.907 -0.245 2
1 1432 . 2 2 B 31 31 ILE CA C 812 64.066 62.094 1.972 2
1 1433 . 2 2 B 31 31 ILE CB C 812 37.726 33.480 4.246 2
1 1437 . 2 2 B 31 31 ILE N N 812 125.497 121.925 3.572 2
1 1438 . 2 2 B 32 32 GLU H H 813 9.330 8.219 1.111 2
1 1439 . 2 2 B 32 32 GLU HA H 813 4.162 4.129 0.033 2
1 1444 . 2 2 B 32 32 GLU CA C 813 58.096 58.438 -0.342 2
1 1445 . 2 2 B 32 32 GLU CB C 813 28.834 29.394 -0.560 2
1 1447 . 2 2 B 32 32 GLU N N 813 118.888 118.945 -0.057 2
1 1448 . 2 2 B 33 33 GLU H H 814 7.742 7.835 -0.093 2
1 1449 . 2 2 B 33 33 GLU HA H 814 4.334 4.251 0.083 2
1 1454 . 2 2 B 33 33 GLU CA C 814 56.441 55.995 0.446 2
1 1455 . 2 2 B 33 33 GLU CB C 814 30.396 24.374 6.022 2
1 1457 . 2 2 B 33 33 GLU N N 814 117.566 119.640 -2.074 2
1 1458 . 2 2 B 34 34 ILE H H 815 7.598 7.737 -0.139 2
1 1459 . 2 2 B 34 34 ILE HA H 815 4.216 4.331 -0.115 2
1 1469 . 2 2 B 34 34 ILE CA C 815 61.047 59.258 1.789 2
1 1470 . 2 2 B 34 34 ILE CB C 815 38.712 39.109 -0.397 2
1 1474 . 2 2 B 34 34 ILE N N 815 117.566 117.069 0.497 2
1 1475 . 2 2 B 35 35 MET H H 816 8.177 8.049 0.128 2
1 1476 . 2 2 B 35 35 MET HA H 816 4.733 4.529 0.204 2
1 1484 . 2 2 B 35 35 MET CA C 816 53.461 49.955 3.506 2
1 1485 . 2 2 B 35 35 MET CB C 816 32.025 33.564 -1.539 2
1 1488 . 2 2 B 35 35 MET N N 816 122.665 114.763 7.902 2
1 1489 . 2 2 B 36 36 PRO HA H 817 4.743 4.470 0.273 2
1 1496 . 2 2 B 36 36 PRO CA C 817 62.542 59.781 2.761 2
1 1497 . 2 2 B 36 36 PRO CB C 817 34.328 31.576 2.752 2
1 1500 . 2 2 B 37 37 ASN H H 818 8.374 8.014 0.360 2
1 1501 . 2 2 B 37 37 ASN HA H 818 4.752 4.419 0.333 2
1 1504 . 2 2 B 37 37 ASN CA C 818 52.995 57.611 -4.616 2
1 1505 . 2 2 B 37 37 ASN CB C 818 38.705 35.473 3.232 2
1 1506 . 2 2 B 37 37 ASN N N 818 117.378 118.964 -1.586 2
1 1507 . 2 2 B 38 38 GLY H H 819 8.314 8.473 -0.159 2
1 1508 . 2 2 B 38 38 GLY HA2 H 819 3.937 3.958 -0.021 2
1 1509 . 2 2 B 38 38 GLY HA3 H 819 3.994 3.959 0.035 2
1 1510 . 2 2 B 38 38 GLY CA C 819 45.006 51.166 -6.160 2
1 1511 . 2 2 B 38 38 GLY N N 819 108.881 116.612 -7.731 2
1 1512 . 2 2 B 39 39 ASP H H 820 8.157 7.867 0.290 2
1 1513 . 2 2 B 39 39 ASP HA H 820 4.939 4.715 0.224 2
1 1516 . 2 2 B 39 39 ASP CA C 820 51.896 51.729 0.167 2
1 1517 . 2 2 B 39 39 ASP CB C 820 41.672 32.143 9.529 2
1 1518 . 2 2 B 39 39 ASP N N 820 121.154 119.207 1.947 2
1 1519 . 2 2 B 40 40 PRO HA H 821 4.483 4.570 -0.087 2
1 1526 . 2 2 B 40 40 PRO CA C 821 63.351 61.618 1.733 2
1 1527 . 2 2 B 40 40 PRO CB C 821 32.066 31.184 0.882 2
1 1530 . 2 2 B 41 41 LEU H H 822 8.440 7.603 0.837 2
1 1531 . 2 2 B 41 41 LEU HA H 822 4.262 4.357 -0.095 2
1 1541 . 2 2 B 41 41 LEU CA C 822 55.539 57.752 -2.213 2
1 1542 . 2 2 B 41 41 LEU CB C 822 41.496 52.902 -11.406 2
1 1546 . 2 2 B 41 41 LEU N N 822 119.644 117.929 1.715 2
1 1547 . 2 2 B 42 42 LEU H H 823 7.863 7.576 0.287 2
1 1548 . 2 2 B 42 42 LEU HA H 823 4.353 4.187 0.166 2
1 1558 . 2 2 B 42 42 LEU CA C 823 54.598 55.221 -0.623 2
1 1559 . 2 2 B 42 42 LEU CB C 823 42.025 42.033 -0.008 2
1 1563 . 2 2 B 42 42 LEU N N 823 120.399 121.797 -1.398 2
1 1564 . 2 2 B 43 43 ALA H H 824 8.022 8.065 -0.043 2
1 1565 . 2 2 B 43 43 ALA HA H 824 4.330 4.102 0.228 2
1 1569 . 2 2 B 43 43 ALA CA C 824 52.539 59.927 -7.388 2
1 1570 . 2 2 B 43 43 ALA CB C 824 19.126 24.945 -5.819 2
1 1571 . 2 2 B 43 43 ALA N N 824 123.420 121.404 2.016 2
1 1572 . 2 2 B 44 44 GLY H H 825 8.346 8.178 0.168 2
1 1573 . 2 2 B 44 44 GLY HA2 H 825 3.973 3.937 0.037 2
1 1574 . 2 2 B 44 44 GLY HA3 H 825 3.973 3.939 0.034 2
1 1575 . 2 2 B 44 44 GLY CA C 825 45.123 50.994 -5.871 2
1 1576 . 2 2 B 44 44 GLY N N 825 107.559 109.681 -2.122 2
1 1577 . 2 2 B 45 45 GLN H H 826 8.204 7.806 0.398 2
1 1578 . 2 2 B 45 45 GLN HA H 826 4.377 4.191 0.186 2
1 1585 . 2 2 B 45 45 GLN CA C 826 55.686 59.219 -3.533 2
1 1586 . 2 2 B 45 45 GLN CB C 826 29.376 28.369 1.007 2
1 1588 . 2 2 B 45 45 GLN N N 826 119.266 119.301 -0.035 2
1 1590 . 2 2 B 46 46 ASN H H 827 8.556 8.110 0.446 2
1 1591 . 2 2 B 46 46 ASN HA H 827 4.824 4.415 0.409 2
1 1596 . 2 2 B 46 46 ASN CA C 827 53.216 56.274 -3.058 2
1 1597 . 2 2 B 46 46 ASN CB C 827 38.759 34.681 4.078 2
1 1598 . 2 2 B 46 46 ASN N N 827 119.266 118.818 0.448 2
1 1600 . 2 2 B 47 47 THR H H 828 8.127 7.831 0.296 2
1 1601 . 2 2 B 47 47 THR HA H 828 4.414 4.163 0.251 2
1 1606 . 2 2 B 47 47 THR CA C 828 61.564 63.953 -2.389 2
1 1607 . 2 2 B 47 47 THR CB C 828 69.507 69.421 0.086 2
1 1609 . 2 2 B 47 47 THR N N 828 113.790 114.279 -0.489 2
1 1610 . 2 2 B 48 48 VAL H H 829 8.140 8.171 -0.031 2
1 1611 . 2 2 B 48 48 VAL HA H 829 4.091 3.946 0.145 2
1 1619 . 2 2 B 48 48 VAL CA C 829 62.146 60.546 1.600 2
1 1620 . 2 2 B 48 48 VAL CB C 829 32.515 32.501 0.014 2
1 1623 . 2 2 B 48 48 VAL N N 829 120.776 119.670 1.106 2
1 1624 . 2 2 B 49 49 ASP H H 830 8.287 8.380 -0.093 2
1 1625 . 2 2 B 49 49 ASP HA H 830 4.617 4.408 0.209 2
1 1628 . 2 2 B 49 49 ASP CA C 830 54.308 57.128 -2.820 2
1 1629 . 2 2 B 49 49 ASP CB C 830 41.241 37.561 3.680 2
1 1630 . 2 2 B 49 49 ASP N N 830 123.042 120.891 2.151 2
1 1631 . 2 2 B 50 50 GLU H H 831 8.242 8.475 -0.233 2
1 1632 . 2 2 B 50 50 GLU HA H 831 4.261 4.362 -0.101 2
1 1637 . 2 2 B 50 50 GLU CA C 831 56.521 57.582 -1.061 2
1 1638 . 2 2 B 50 50 GLU CB C 831 30.209 33.962 -3.753 2
1 1640 . 2 2 B 50 50 GLU N N 831 120.776 120.151 0.625 2
1 1641 . 2 2 B 51 51 VAL H H 832 8.044 7.879 0.165 2
1 1642 . 2 2 B 51 51 VAL HA H 832 3.988 3.848 0.140 2
1 1650 . 2 2 B 51 51 VAL CA C 832 62.472 65.355 -2.883 2
1 1651 . 2 2 B 51 51 VAL CB C 832 32.278 31.709 0.569 2
1 1654 . 2 2 B 51 51 VAL N N 832 120.021 119.069 0.952 2
1 1655 . 2 2 B 52 52 TYR H H 833 8.148 8.292 -0.144 2
1 1656 . 2 2 B 52 52 TYR HA H 833 4.598 4.270 0.328 2
1 1663 . 2 2 B 52 52 TYR CA C 833 57.743 59.055 -1.312 2
1 1664 . 2 2 B 52 52 TYR CB C 833 38.702 40.470 -1.768 2
1 1667 . 2 2 B 52 52 TYR N N 833 122.854 120.388 2.466 2
1 1668 . 2 2 B 53 53 VAL H H 834 7.868 7.943 -0.075 2
1 1669 . 2 2 B 53 53 VAL HA H 834 4.114 4.276 -0.162 2
1 1677 . 2 2 B 53 53 VAL CA C 834 61.508 59.152 2.356 2
1 1678 . 2 2 B 53 53 VAL CB C 834 33.010 35.236 -2.226 2
1 1681 . 2 2 B 53 53 VAL N N 834 121.721 116.270 5.451 2
1 1682 . 2 2 B 54 54 SER H H 835 8.237 8.124 0.113 2
1 1683 . 2 2 B 54 54 SER HA H 835 4.422 4.324 0.098 2
1 1686 . 2 2 B 54 54 SER CA C 835 57.823 59.429 -1.606 2
1 1687 . 2 2 B 54 54 SER CB C 835 63.437 46.624 16.813 2
1 1688 . 2 2 B 54 54 SER N N 835 119.077 117.991 1.086 2
1 1689 . 2 2 B 55 55 ARG H H 836 8.284 8.363 -0.079 2
1 1690 . 2 2 B 55 55 ARG HA H 836 4.701 4.232 0.469 2
1 1697 . 2 2 B 55 55 ARG CA C 836 53.601 56.399 -2.798 2
1 1698 . 2 2 B 55 55 ARG CB C 836 30.394 31.700 -1.306 2
1 1701 . 2 2 B 55 55 ARG N N 836 123.798 119.246 4.552 2
1 1702 . 2 2 B 56 56 PRO HA H 837 4.485 4.335 0.150 2
1 1709 . 2 2 B 56 56 PRO CA C 837 63.351 64.077 -0.726 2
1 1710 . 2 2 B 56 56 PRO CB C 837 31.795 50.254 -18.459 2
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