data_15752_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15752
_Entry.PDB_ID 2JWH
_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 35
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 3 3 LYS H H 423 8.388 8.686 -0.298 1
1 2 . 1 1 1 A 3 3 LYS HA H 423 4.225 4.547 -0.322 1
1 11 . 1 1 1 A 5 5 SER H H 425 8.220 8.209 0.011 1
1 12 . 1 1 1 A 5 5 SER HA H 425 4.336 4.249 0.087 1
1 15 . 1 1 1 A 6 6 LYS H H 426 8.327 7.727 0.600 1
1 16 . 1 1 1 A 6 6 LYS HA H 426 4.269 4.445 -0.176 1
1 25 . 1 1 1 A 7 7 SER H H 427 8.235 8.271 -0.036 1
1 26 . 1 1 1 A 7 7 SER HA H 427 4.343 4.524 -0.181 1
1 29 . 1 1 1 A 8 8 GLY H H 428 8.297 8.781 -0.484 1
1 30 . 1 1 1 A 8 8 GLY HA2 H 428 3.857 3.825 0.032 1
1 31 . 1 1 1 A 8 8 GLY HA3 H 428 3.857 3.825 0.032 1
1 32 . 1 1 1 A 9 9 VAL H H 429 7.813 7.688 0.125 1
1 33 . 1 1 1 A 9 9 VAL HA H 429 4.322 4.230 0.092 1
1 41 . 1 1 1 A 10 10 PRO HA H 430 4.351 4.304 0.047 1
1 48 . 1 1 1 A 11 11 VAL H H 431 8.213 7.915 0.298 1
1 49 . 1 1 1 A 11 11 VAL HA H 431 4.019 3.622 0.397 1
1 54 . 1 1 1 A 12 12 THR H H 432 8.064 7.797 0.267 1
1 55 . 1 1 1 A 12 12 THR HA H 432 4.222 4.177 0.045 1
1 60 . 1 1 1 A 13 13 GLN H H 433 8.337 8.946 -0.609 1
1 61 . 1 1 1 A 13 13 GLN HA H 433 4.333 4.254 0.079 1
1 68 . 1 1 1 A 14 14 THR H H 434 8.134 7.536 0.598 1
1 69 . 1 1 1 A 14 14 THR HA H 434 4.198 4.535 -0.337 1
1 74 . 1 1 1 A 15 15 GLN H H 435 8.373 8.633 -0.260 1
1 75 . 1 1 1 A 15 15 GLN HA H 435 4.332 4.745 -0.413 1
1 82 . 1 1 1 A 16 16 THR H H 436 8.127 8.025 0.102 1
1 83 . 1 1 1 A 16 16 THR HA H 436 4.207 4.024 0.183 1
1 88 . 1 1 1 A 17 17 ALA H H 437 8.306 7.837 0.469 1
1 89 . 1 1 1 A 17 17 ALA HA H 437 4.239 4.031 0.208 1
1 93 . 1 1 1 A 18 18 GLY H H 438 8.285 8.323 -0.038 1
1 94 . 1 1 1 A 18 18 GLY HA2 H 438 3.839 3.905 -0.066 1
1 95 . 1 1 1 A 18 18 GLY HA3 H 438 3.839 3.906 -0.067 1
1 96 . 1 1 1 A 19 19 ALA H H 439 8.056 7.674 0.382 1
1 97 . 1 1 1 A 19 19 ALA HA H 439 4.227 4.389 -0.162 1
1 101 . 1 1 1 A 20 20 ASP H H 440 8.325 8.832 -0.507 1
1 102 . 1 1 1 A 20 20 ASP HA H 440 4.567 4.747 -0.180 1
1 105 . 1 1 1 A 21 21 THR H H 441 8.067 8.289 -0.222 1
1 106 . 1 1 1 A 21 21 THR HA H 441 4.300 3.853 0.447 1
1 111 . 1 1 1 A 22 22 THR H H 442 8.131 8.395 -0.264 1
1 112 . 1 1 1 A 22 22 THR HA H 442 4.176 4.825 -0.649 1
1 117 . 1 1 1 A 23 23 ALA H H 443 8.147 9.007 -0.860 1
1 118 . 1 1 1 A 23 23 ALA HA H 443 4.179 4.323 -0.144 1
1 122 . 1 1 1 A 24 24 GLU H H 444 8.193 8.370 -0.177 1
1 123 . 1 1 1 A 24 24 GLU HA H 444 4.206 4.397 -0.191 1
1 128 . 1 1 1 A 25 25 LYS H H 445 8.525 7.894 0.631 1
1 129 . 1 1 1 A 25 25 LYS HA H 445 4.088 4.150 -0.062 1
1 138 . 1 1 1 A 26 26 CYS H H 446 8.624 8.027 0.597 1
1 139 . 1 1 1 A 26 26 CYS HA H 446 4.560 4.394 0.166 1
1 142 . 1 1 1 A 27 27 LYS H H 447 7.925 7.848 0.077 1
1 143 . 1 1 1 A 27 27 LYS HA H 447 4.019 4.188 -0.169 1
1 152 . 1 1 1 A 28 28 GLY H H 448 8.873 8.942 -0.069 1
1 153 . 1 1 1 A 28 28 GLY HA2 H 448 4.094 4.036 0.058 1
1 154 . 1 1 1 A 28 28 GLY HA3 H 448 3.665 4.040 -0.375 1
1 155 . 1 1 1 A 29 29 LYS H H 449 7.462 7.886 -0.424 1
1 156 . 1 1 1 A 29 29 LYS HA H 449 4.220 4.376 -0.156 1
1 165 . 1 1 1 A 30 30 GLY H H 450 8.669 8.448 0.221 1
1 166 . 1 1 1 A 30 30 GLY HA2 H 450 4.212 4.094 0.118 1
1 167 . 1 1 1 A 30 30 GLY HA3 H 450 3.563 4.247 -0.684 1
1 168 . 1 1 1 A 31 31 GLU H H 451 7.724 8.531 -0.807 1
1 169 . 1 1 1 A 31 31 GLU HA H 451 1.968 2.287 -0.319 1
1 174 . 1 1 1 A 32 32 LYS H H 452 8.012 7.818 0.194 1
1 175 . 1 1 1 A 32 32 LYS HA H 452 3.712 3.891 -0.179 1
1 184 . 1 1 1 A 33 33 ASP H H 453 7.057 7.927 -0.870 1
1 185 . 1 1 1 A 33 33 ASP HA H 453 4.678 4.313 0.365 1
1 188 . 1 1 1 A 34 34 CYS H H 454 7.329 7.907 -0.578 1
1 189 . 1 1 1 A 34 34 CYS HA H 454 4.350 4.434 -0.084 1
1 192 . 1 1 1 A 35 35 LYS H H 455 7.892 8.839 -0.947 1
1 193 . 1 1 1 A 35 35 LYS HA H 455 4.457 4.340 0.117 1
1 202 . 1 1 1 A 36 36 SER H H 456 8.470 8.964 -0.494 1
1 203 . 1 1 1 A 36 36 SER HA H 456 4.624 4.554 0.070 1
1 206 . 1 1 1 A 37 37 PRO HA H 457 4.723 4.314 0.409 1
1 213 . 1 1 1 A 38 38 ASP H H 458 8.115 8.658 -0.543 1
1 214 . 1 1 1 A 38 38 ASP HA H 458 4.230 4.415 -0.185 1
1 217 . 1 1 1 A 39 39 CYS H H 459 7.993 8.459 -0.466 1
1 218 . 1 1 1 A 39 39 CYS HA H 459 5.259 5.048 0.211 1
1 221 . 1 1 1 A 40 40 LYS H H 460 9.018 8.474 0.544 1
1 222 . 1 1 1 A 40 40 LYS HA H 460 4.441 4.704 -0.263 1
1 231 . 1 1 1 A 41 41 TRP H H 461 8.511 9.024 -0.513 1
1 232 . 1 1 1 A 41 41 TRP HA H 461 5.205 4.901 0.304 1
1 241 . 1 1 1 A 42 42 GLU H H 462 8.310 8.516 -0.206 1
1 242 . 1 1 1 A 42 42 GLU HA H 462 4.308 4.549 -0.241 1
1 247 . 1 1 1 A 43 43 GLY H H 463 8.730 9.127 -0.397 1
1 248 . 1 1 1 A 43 43 GLY HA2 H 463 3.569 3.733 -0.164 1
1 249 . 1 1 1 A 43 43 GLY HA3 H 463 3.569 3.757 -0.188 1
1 250 . 1 1 1 A 44 44 GLY H H 464 7.730 8.327 -0.597 1
1 251 . 1 1 1 A 44 44 GLY HA2 H 464 3.713 3.636 0.077 1
1 252 . 1 1 1 A 44 44 GLY HA3 H 464 3.139 3.781 -0.642 1
1 253 . 1 1 1 A 45 45 THR H H 465 6.343 6.789 -0.446 1
1 254 . 1 1 1 A 45 45 THR HA H 465 3.821 4.411 -0.590 1
1 259 . 1 1 1 A 46 46 CYS H H 466 8.406 8.925 -0.519 1
1 260 . 1 1 1 A 46 46 CYS HA H 466 5.281 5.236 0.045 1
1 263 . 1 1 1 A 47 47 LYS H H 467 9.363 8.493 0.870 1
1 264 . 1 1 1 A 47 47 LYS HA H 467 4.547 5.043 -0.496 1
1 1 . 2 1 1 A 3 3 LYS H H 423 8.388 7.632 0.756 1
1 2 . 2 1 1 A 3 3 LYS HA H 423 4.225 4.264 -0.039 1
1 11 . 2 1 1 A 5 5 SER H H 425 8.220 7.664 0.556 1
1 12 . 2 1 1 A 5 5 SER HA H 425 4.336 4.309 0.027 1
1 15 . 2 1 1 A 6 6 LYS H H 426 8.327 8.832 -0.505 1
1 16 . 2 1 1 A 6 6 LYS HA H 426 4.269 4.049 0.220 1
1 25 . 2 1 1 A 7 7 SER H H 427 8.235 7.854 0.381 1
1 26 . 2 1 1 A 7 7 SER HA H 427 4.343 4.527 -0.184 1
1 29 . 2 1 1 A 8 8 GLY H H 428 8.297 7.916 0.381 1
1 30 . 2 1 1 A 8 8 GLY HA2 H 428 3.857 4.071 -0.214 1
1 31 . 2 1 1 A 8 8 GLY HA3 H 428 3.857 4.071 -0.214 1
1 32 . 2 1 1 A 9 9 VAL H H 429 7.813 8.291 -0.478 1
1 33 . 2 1 1 A 9 9 VAL HA H 429 4.322 4.415 -0.093 1
1 41 . 2 1 1 A 10 10 PRO HA H 430 4.351 4.589 -0.238 1
1 48 . 2 1 1 A 11 11 VAL H H 431 8.213 8.129 0.084 1
1 49 . 2 1 1 A 11 11 VAL HA H 431 4.019 4.235 -0.216 1
1 54 . 2 1 1 A 12 12 THR H H 432 8.064 7.555 0.509 1
1 55 . 2 1 1 A 12 12 THR HA H 432 4.222 4.374 -0.152 1
1 60 . 2 1 1 A 13 13 GLN H H 433 8.337 8.267 0.070 1
1 61 . 2 1 1 A 13 13 GLN HA H 433 4.333 4.480 -0.147 1
1 68 . 2 1 1 A 14 14 THR H H 434 8.134 7.421 0.713 1
1 69 . 2 1 1 A 14 14 THR HA H 434 4.198 4.321 -0.123 1
1 74 . 2 1 1 A 15 15 GLN H H 435 8.373 8.645 -0.272 1
1 75 . 2 1 1 A 15 15 GLN HA H 435 4.332 4.164 0.168 1
1 82 . 2 1 1 A 16 16 THR H H 436 8.127 8.615 -0.488 1
1 83 . 2 1 1 A 16 16 THR HA H 436 4.207 3.905 0.302 1
1 88 . 2 1 1 A 17 17 ALA H H 437 8.306 8.387 -0.081 1
1 89 . 2 1 1 A 17 17 ALA HA H 437 4.239 4.110 0.129 1
1 93 . 2 1 1 A 18 18 GLY H H 438 8.285 8.963 -0.678 1
1 94 . 2 1 1 A 18 18 GLY HA2 H 438 3.839 3.885 -0.046 1
1 95 . 2 1 1 A 18 18 GLY HA3 H 438 3.839 3.885 -0.046 1
1 96 . 2 1 1 A 19 19 ALA H H 439 8.056 7.490 0.566 1
1 97 . 2 1 1 A 19 19 ALA HA H 439 4.227 4.371 -0.144 1
1 101 . 2 1 1 A 20 20 ASP H H 440 8.325 8.390 -0.065 1
1 102 . 2 1 1 A 20 20 ASP HA H 440 4.567 4.394 0.173 1
1 105 . 2 1 1 A 21 21 THR H H 441 8.067 7.911 0.156 1
1 106 . 2 1 1 A 21 21 THR HA H 441 4.300 4.002 0.298 1
1 111 . 2 1 1 A 22 22 THR H H 442 8.131 7.684 0.447 1
1 112 . 2 1 1 A 22 22 THR HA H 442 4.176 4.324 -0.148 1
1 117 . 2 1 1 A 23 23 ALA H H 443 8.147 8.533 -0.386 1
1 118 . 2 1 1 A 23 23 ALA HA H 443 4.179 4.409 -0.230 1
1 122 . 2 1 1 A 24 24 GLU H H 444 8.193 8.191 0.002 1
1 123 . 2 1 1 A 24 24 GLU HA H 444 4.206 4.243 -0.037 1
1 128 . 2 1 1 A 25 25 LYS H H 445 8.525 8.857 -0.332 1
1 129 . 2 1 1 A 25 25 LYS HA H 445 4.088 4.491 -0.403 1
1 138 . 2 1 1 A 26 26 CYS H H 446 8.624 8.199 0.425 1
1 139 . 2 1 1 A 26 26 CYS HA H 446 4.560 4.423 0.137 1
1 142 . 2 1 1 A 27 27 LYS H H 447 7.925 7.826 0.099 1
1 143 . 2 1 1 A 27 27 LYS HA H 447 4.019 3.894 0.125 1
1 152 . 2 1 1 A 28 28 GLY H H 448 8.873 8.979 -0.106 1
1 153 . 2 1 1 A 28 28 GLY HA2 H 448 4.094 4.025 0.069 1
1 154 . 2 1 1 A 28 28 GLY HA3 H 448 3.665 4.027 -0.362 1
1 155 . 2 1 1 A 29 29 LYS H H 449 7.462 7.687 -0.225 1
1 156 . 2 1 1 A 29 29 LYS HA H 449 4.220 4.389 -0.169 1
1 165 . 2 1 1 A 30 30 GLY H H 450 8.669 8.546 0.123 1
1 166 . 2 1 1 A 30 30 GLY HA2 H 450 4.212 4.128 0.084 1
1 167 . 2 1 1 A 30 30 GLY HA3 H 450 3.563 4.294 -0.731 1
1 168 . 2 1 1 A 31 31 GLU H H 451 7.724 8.647 -0.923 1
1 169 . 2 1 1 A 31 31 GLU HA H 451 1.968 2.951 -0.983 1
1 174 . 2 1 1 A 32 32 LYS H H 452 8.012 8.053 -0.041 1
1 175 . 2 1 1 A 32 32 LYS HA H 452 3.712 4.198 -0.486 1
1 184 . 2 1 1 A 33 33 ASP H H 453 7.057 8.330 -1.273 1
1 185 . 2 1 1 A 33 33 ASP HA H 453 4.678 4.830 -0.152 1
1 188 . 2 1 1 A 34 34 CYS H H 454 7.329 8.216 -0.887 1
1 189 . 2 1 1 A 34 34 CYS HA H 454 4.350 4.451 -0.101 1
1 192 . 2 1 1 A 35 35 LYS H H 455 7.892 8.658 -0.766 1
1 193 . 2 1 1 A 35 35 LYS HA H 455 4.457 4.290 0.167 1
1 202 . 2 1 1 A 36 36 SER H H 456 8.470 8.954 -0.484 1
1 203 . 2 1 1 A 36 36 SER HA H 456 4.624 4.330 0.294 1
1 206 . 2 1 1 A 37 37 PRO HA H 457 4.723 4.320 0.403 1
1 213 . 2 1 1 A 38 38 ASP H H 458 8.115 8.733 -0.618 1
1 214 . 2 1 1 A 38 38 ASP HA H 458 4.230 4.280 -0.050 1
1 217 . 2 1 1 A 39 39 CYS H H 459 7.993 8.145 -0.152 1
1 218 . 2 1 1 A 39 39 CYS HA H 459 5.259 5.076 0.183 1
1 221 . 2 1 1 A 40 40 LYS H H 460 9.018 8.481 0.537 1
1 222 . 2 1 1 A 40 40 LYS HA H 460 4.441 5.093 -0.652 1
1 231 . 2 1 1 A 41 41 TRP H H 461 8.511 8.788 -0.277 1
1 232 . 2 1 1 A 41 41 TRP HA H 461 5.205 5.203 0.002 1
1 241 . 2 1 1 A 42 42 GLU H H 462 8.310 8.215 0.095 1
1 242 . 2 1 1 A 42 42 GLU HA H 462 4.308 4.577 -0.269 1
1 247 . 2 1 1 A 43 43 GLY H H 463 8.730 8.952 -0.222 1
1 248 . 2 1 1 A 43 43 GLY HA2 H 463 3.569 3.728 -0.159 1
1 249 . 2 1 1 A 43 43 GLY HA3 H 463 3.569 3.794 -0.225 1
1 250 . 2 1 1 A 44 44 GLY H H 464 7.730 8.100 -0.370 1
1 251 . 2 1 1 A 44 44 GLY HA2 H 464 3.713 3.979 -0.266 1
1 252 . 2 1 1 A 44 44 GLY HA3 H 464 3.139 4.064 -0.925 1
1 253 . 2 1 1 A 45 45 THR H H 465 6.343 6.721 -0.378 1
1 254 . 2 1 1 A 45 45 THR HA H 465 3.821 4.549 -0.728 1
1 259 . 2 1 1 A 46 46 CYS H H 466 8.406 8.626 -0.220 1
1 260 . 2 1 1 A 46 46 CYS HA H 466 5.281 5.016 0.265 1
1 263 . 2 1 1 A 47 47 LYS H H 467 9.363 9.161 0.202 1
1 264 . 2 1 1 A 47 47 LYS HA H 467 4.547 4.470 0.077 1
1 1 . 3 1 1 A 3 3 LYS H H 423 8.388 7.517 0.871 1
1 2 . 3 1 1 A 3 3 LYS HA H 423 4.225 4.414 -0.189 1
1 11 . 3 1 1 A 5 5 SER H H 425 8.220 8.516 -0.296 1
1 12 . 3 1 1 A 5 5 SER HA H 425 4.336 4.947 -0.611 1
1 15 . 3 1 1 A 6 6 LYS H H 426 8.327 8.764 -0.437 1
1 16 . 3 1 1 A 6 6 LYS HA H 426 4.269 4.151 0.118 1
1 25 . 3 1 1 A 7 7 SER H H 427 8.235 7.733 0.502 1
1 26 . 3 1 1 A 7 7 SER HA H 427 4.343 4.791 -0.448 1
1 29 . 3 1 1 A 8 8 GLY H H 428 8.297 8.732 -0.435 1
1 30 . 3 1 1 A 8 8 GLY HA2 H 428 3.857 3.944 -0.087 1
1 31 . 3 1 1 A 8 8 GLY HA3 H 428 3.857 3.944 -0.087 1
1 32 . 3 1 1 A 9 9 VAL H H 429 7.813 8.238 -0.425 1
1 33 . 3 1 1 A 9 9 VAL HA H 429 4.322 4.007 0.315 1
1 41 . 3 1 1 A 10 10 PRO HA H 430 4.351 4.355 -0.004 1
1 48 . 3 1 1 A 11 11 VAL H H 431 8.213 7.634 0.579 1
1 49 . 3 1 1 A 11 11 VAL HA H 431 4.019 4.092 -0.073 1
1 54 . 3 1 1 A 12 12 THR H H 432 8.064 8.088 -0.024 1
1 55 . 3 1 1 A 12 12 THR HA H 432 4.222 4.314 -0.092 1
1 60 . 3 1 1 A 13 13 GLN H H 433 8.337 8.749 -0.412 1
1 61 . 3 1 1 A 13 13 GLN HA H 433 4.333 4.149 0.184 1
1 68 . 3 1 1 A 14 14 THR H H 434 8.134 8.234 -0.100 1
1 69 . 3 1 1 A 14 14 THR HA H 434 4.198 3.932 0.266 1
1 74 . 3 1 1 A 15 15 GLN H H 435 8.373 8.285 0.088 1
1 75 . 3 1 1 A 15 15 GLN HA H 435 4.332 4.650 -0.318 1
1 82 . 3 1 1 A 16 16 THR H H 436 8.127 8.470 -0.343 1
1 83 . 3 1 1 A 16 16 THR HA H 436 4.207 4.584 -0.377 1
1 88 . 3 1 1 A 17 17 ALA H H 437 8.306 8.013 0.293 1
1 89 . 3 1 1 A 17 17 ALA HA H 437 4.239 4.046 0.193 1
1 93 . 3 1 1 A 18 18 GLY H H 438 8.285 8.090 0.195 1
1 94 . 3 1 1 A 18 18 GLY HA2 H 438 3.839 3.875 -0.036 1
1 95 . 3 1 1 A 18 18 GLY HA3 H 438 3.839 3.876 -0.037 1
1 96 . 3 1 1 A 19 19 ALA H H 439 8.056 7.871 0.185 1
1 97 . 3 1 1 A 19 19 ALA HA H 439 4.227 4.015 0.212 1
1 101 . 3 1 1 A 20 20 ASP H H 440 8.325 8.735 -0.410 1
1 102 . 3 1 1 A 20 20 ASP HA H 440 4.567 4.892 -0.325 1
1 105 . 3 1 1 A 21 21 THR H H 441 8.067 7.129 0.938 1
1 106 . 3 1 1 A 21 21 THR HA H 441 4.300 4.444 -0.144 1
1 111 . 3 1 1 A 22 22 THR H H 442 8.131 7.945 0.186 1
1 112 . 3 1 1 A 22 22 THR HA H 442 4.176 4.094 0.082 1
1 117 . 3 1 1 A 23 23 ALA H H 443 8.147 8.087 0.060 1
1 118 . 3 1 1 A 23 23 ALA HA H 443 4.179 4.400 -0.221 1
1 122 . 3 1 1 A 24 24 GLU H H 444 8.193 8.022 0.171 1
1 123 . 3 1 1 A 24 24 GLU HA H 444 4.206 4.254 -0.048 1
1 128 . 3 1 1 A 25 25 LYS H H 445 8.525 8.833 -0.308 1
1 129 . 3 1 1 A 25 25 LYS HA H 445 4.088 4.003 0.085 1
1 138 . 3 1 1 A 26 26 CYS H H 446 8.624 7.569 1.055 1
1 139 . 3 1 1 A 26 26 CYS HA H 446 4.560 4.417 0.143 1
1 142 . 3 1 1 A 27 27 LYS H H 447 7.925 7.858 0.067 1
1 143 . 3 1 1 A 27 27 LYS HA H 447 4.019 4.445 -0.426 1
1 152 . 3 1 1 A 28 28 GLY H H 448 8.873 8.806 0.067 1
1 153 . 3 1 1 A 28 28 GLY HA2 H 448 4.094 4.048 0.046 1
1 154 . 3 1 1 A 28 28 GLY HA3 H 448 3.665 4.054 -0.389 1
1 155 . 3 1 1 A 29 29 LYS H H 449 7.462 8.165 -0.703 1
1 156 . 3 1 1 A 29 29 LYS HA H 449 4.220 4.369 -0.149 1
1 165 . 3 1 1 A 30 30 GLY H H 450 8.669 8.493 0.176 1
1 166 . 3 1 1 A 30 30 GLY HA2 H 450 4.212 4.058 0.154 1
1 167 . 3 1 1 A 30 30 GLY HA3 H 450 3.563 4.199 -0.636 1
1 168 . 3 1 1 A 31 31 GLU H H 451 7.724 8.435 -0.711 1
1 169 . 3 1 1 A 31 31 GLU HA H 451 1.968 2.020 -0.052 1
1 174 . 3 1 1 A 32 32 LYS H H 452 8.012 7.603 0.409 1
1 175 . 3 1 1 A 32 32 LYS HA H 452 3.712 3.904 -0.192 1
1 184 . 3 1 1 A 33 33 ASP H H 453 7.057 8.073 -1.016 1
1 185 . 3 1 1 A 33 33 ASP HA H 453 4.678 4.282 0.396 1
1 188 . 3 1 1 A 34 34 CYS H H 454 7.329 7.769 -0.440 1
1 189 . 3 1 1 A 34 34 CYS HA H 454 4.350 4.593 -0.243 1
1 192 . 3 1 1 A 35 35 LYS H H 455 7.892 8.302 -0.410 1
1 193 . 3 1 1 A 35 35 LYS HA H 455 4.457 4.459 -0.002 1
1 202 . 3 1 1 A 36 36 SER H H 456 8.470 8.951 -0.481 1
1 203 . 3 1 1 A 36 36 SER HA H 456 4.624 4.394 0.230 1
1 206 . 3 1 1 A 37 37 PRO HA H 457 4.723 4.351 0.372 1
1 213 . 3 1 1 A 38 38 ASP H H 458 8.115 8.437 -0.322 1
1 214 . 3 1 1 A 38 38 ASP HA H 458 4.230 4.382 -0.152 1
1 217 . 3 1 1 A 39 39 CYS H H 459 7.993 8.153 -0.160 1
1 218 . 3 1 1 A 39 39 CYS HA H 459 5.259 4.759 0.500 1
1 221 . 3 1 1 A 40 40 LYS H H 460 9.018 8.485 0.533 1
1 222 . 3 1 1 A 40 40 LYS HA H 460 4.441 5.019 -0.578 1
1 231 . 3 1 1 A 41 41 TRP H H 461 8.511 9.115 -0.604 1
1 232 . 3 1 1 A 41 41 TRP HA H 461 5.205 4.983 0.222 1
1 241 . 3 1 1 A 42 42 GLU H H 462 8.310 8.356 -0.046 1
1 242 . 3 1 1 A 42 42 GLU HA H 462 4.308 4.187 0.121 1
1 247 . 3 1 1 A 43 43 GLY H H 463 8.730 7.071 1.659 1
1 248 . 3 1 1 A 43 43 GLY HA2 H 463 3.569 3.980 -0.411 1
1 249 . 3 1 1 A 43 43 GLY HA3 H 463 3.569 3.992 -0.423 1
1 250 . 3 1 1 A 44 44 GLY H H 464 7.730 6.892 0.838 1
1 251 . 3 1 1 A 44 44 GLY HA2 H 464 3.713 3.919 -0.206 1
1 252 . 3 1 1 A 44 44 GLY HA3 H 464 3.139 4.085 -0.946 1
1 253 . 3 1 1 A 45 45 THR H H 465 6.343 7.457 -1.114 1
1 254 . 3 1 1 A 45 45 THR HA H 465 3.821 4.434 -0.613 1
1 259 . 3 1 1 A 46 46 CYS H H 466 8.406 8.816 -0.410 1
1 260 . 3 1 1 A 46 46 CYS HA H 466 5.281 4.742 0.539 1
1 263 . 3 1 1 A 47 47 LYS H H 467 9.363 8.734 0.629 1
1 264 . 3 1 1 A 47 47 LYS HA H 467 4.547 5.025 -0.478 1
1 1 . 4 1 1 A 3 3 LYS H H 423 8.388 8.920 -0.532 1
1 2 . 4 1 1 A 3 3 LYS HA H 423 4.225 4.016 0.209 1
1 11 . 4 1 1 A 5 5 SER H H 425 8.220 7.802 0.418 1
1 12 . 4 1 1 A 5 5 SER HA H 425 4.336 4.456 -0.120 1
1 15 . 4 1 1 A 6 6 LYS H H 426 8.327 8.978 -0.651 1
1 16 . 4 1 1 A 6 6 LYS HA H 426 4.269 3.889 0.380 1
1 25 . 4 1 1 A 7 7 SER H H 427 8.235 8.225 0.010 1
1 26 . 4 1 1 A 7 7 SER HA H 427 4.343 4.134 0.209 1
1 29 . 4 1 1 A 8 8 GLY H H 428 8.297 8.519 -0.222 1
1 30 . 4 1 1 A 8 8 GLY HA2 H 428 3.857 3.907 -0.050 1
1 31 . 4 1 1 A 8 8 GLY HA3 H 428 3.857 3.907 -0.050 1
1 32 . 4 1 1 A 9 9 VAL H H 429 7.813 7.927 -0.114 1
1 33 . 4 1 1 A 9 9 VAL HA H 429 4.322 4.696 -0.374 1
1 41 . 4 1 1 A 10 10 PRO HA H 430 4.351 4.658 -0.307 1
1 48 . 4 1 1 A 11 11 VAL H H 431 8.213 8.672 -0.459 1
1 49 . 4 1 1 A 11 11 VAL HA H 431 4.019 4.318 -0.299 1
1 54 . 4 1 1 A 12 12 THR H H 432 8.064 8.045 0.019 1
1 55 . 4 1 1 A 12 12 THR HA H 432 4.222 4.438 -0.216 1
1 60 . 4 1 1 A 13 13 GLN H H 433 8.337 8.791 -0.454 1
1 61 . 4 1 1 A 13 13 GLN HA H 433 4.333 4.452 -0.119 1
1 68 . 4 1 1 A 14 14 THR H H 434 8.134 8.347 -0.213 1
1 69 . 4 1 1 A 14 14 THR HA H 434 4.198 4.492 -0.294 1
1 74 . 4 1 1 A 15 15 GLN H H 435 8.373 7.927 0.446 1
1 75 . 4 1 1 A 15 15 GLN HA H 435 4.332 4.563 -0.231 1
1 82 . 4 1 1 A 16 16 THR H H 436 8.127 8.320 -0.193 1
1 83 . 4 1 1 A 16 16 THR HA H 436 4.207 4.081 0.126 1
1 88 . 4 1 1 A 17 17 ALA H H 437 8.306 7.682 0.624 1
1 89 . 4 1 1 A 17 17 ALA HA H 437 4.239 4.406 -0.167 1
1 93 . 4 1 1 A 18 18 GLY H H 438 8.285 8.568 -0.283 1
1 94 . 4 1 1 A 18 18 GLY HA2 H 438 3.839 4.015 -0.176 1
1 95 . 4 1 1 A 18 18 GLY HA3 H 438 3.839 4.017 -0.178 1
1 96 . 4 1 1 A 19 19 ALA H H 439 8.056 8.330 -0.274 1
1 97 . 4 1 1 A 19 19 ALA HA H 439 4.227 4.408 -0.181 1
1 101 . 4 1 1 A 20 20 ASP H H 440 8.325 8.590 -0.265 1
1 102 . 4 1 1 A 20 20 ASP HA H 440 4.567 4.603 -0.036 1
1 105 . 4 1 1 A 21 21 THR H H 441 8.067 8.346 -0.279 1
1 106 . 4 1 1 A 21 21 THR HA H 441 4.300 4.182 0.118 1
1 111 . 4 1 1 A 22 22 THR H H 442 8.131 7.576 0.555 1
1 112 . 4 1 1 A 22 22 THR HA H 442 4.176 4.151 0.025 1
1 117 . 4 1 1 A 23 23 ALA H H 443 8.147 8.702 -0.555 1
1 118 . 4 1 1 A 23 23 ALA HA H 443 4.179 4.394 -0.215 1
1 122 . 4 1 1 A 24 24 GLU H H 444 8.193 8.894 -0.701 1
1 123 . 4 1 1 A 24 24 GLU HA H 444 4.206 4.603 -0.397 1
1 128 . 4 1 1 A 25 25 LYS H H 445 8.525 7.867 0.658 1
1 129 . 4 1 1 A 25 25 LYS HA H 445 4.088 4.078 0.010 1
1 138 . 4 1 1 A 26 26 CYS H H 446 8.624 7.718 0.906 1
1 139 . 4 1 1 A 26 26 CYS HA H 446 4.560 4.684 -0.124 1
1 142 . 4 1 1 A 27 27 LYS H H 447 7.925 7.342 0.583 1
1 143 . 4 1 1 A 27 27 LYS HA H 447 4.019 4.280 -0.261 1
1 152 . 4 1 1 A 28 28 GLY H H 448 8.873 8.908 -0.035 1
1 153 . 4 1 1 A 28 28 GLY HA2 H 448 4.094 4.011 0.083 1
1 154 . 4 1 1 A 28 28 GLY HA3 H 448 3.665 4.015 -0.350 1
1 155 . 4 1 1 A 29 29 LYS H H 449 7.462 8.001 -0.539 1
1 156 . 4 1 1 A 29 29 LYS HA H 449 4.220 4.411 -0.191 1
1 165 . 4 1 1 A 30 30 GLY H H 450 8.669 8.542 0.127 1
1 166 . 4 1 1 A 30 30 GLY HA2 H 450 4.212 4.176 0.036 1
1 167 . 4 1 1 A 30 30 GLY HA3 H 450 3.563 4.381 -0.818 1
1 168 . 4 1 1 A 31 31 GLU H H 451 7.724 8.898 -1.174 1
1 169 . 4 1 1 A 31 31 GLU HA H 451 1.968 3.098 -1.130 1
1 174 . 4 1 1 A 32 32 LYS H H 452 8.012 8.031 -0.019 1
1 175 . 4 1 1 A 32 32 LYS HA H 452 3.712 4.063 -0.351 1
1 184 . 4 1 1 A 33 33 ASP H H 453 7.057 7.822 -0.765 1
1 185 . 4 1 1 A 33 33 ASP HA H 453 4.678 4.808 -0.130 1
1 188 . 4 1 1 A 34 34 CYS H H 454 7.329 8.391 -1.062 1
1 189 . 4 1 1 A 34 34 CYS HA H 454 4.350 4.522 -0.172 1
1 192 . 4 1 1 A 35 35 LYS H H 455 7.892 8.431 -0.539 1
1 193 . 4 1 1 A 35 35 LYS HA H 455 4.457 4.333 0.124 1
1 202 . 4 1 1 A 36 36 SER H H 456 8.470 9.025 -0.555 1
1 203 . 4 1 1 A 36 36 SER HA H 456 4.624 4.609 0.015 1
1 206 . 4 1 1 A 37 37 PRO HA H 457 4.723 4.308 0.415 1
1 213 . 4 1 1 A 38 38 ASP H H 458 8.115 8.291 -0.176 1
1 214 . 4 1 1 A 38 38 ASP HA H 458 4.230 4.383 -0.153 1
1 217 . 4 1 1 A 39 39 CYS H H 459 7.993 8.007 -0.014 1
1 218 . 4 1 1 A 39 39 CYS HA H 459 5.259 5.087 0.172 1
1 221 . 4 1 1 A 40 40 LYS H H 460 9.018 8.511 0.507 1
1 222 . 4 1 1 A 40 40 LYS HA H 460 4.441 4.430 0.011 1
1 231 . 4 1 1 A 41 41 TRP H H 461 8.511 8.786 -0.275 1
1 232 . 4 1 1 A 41 41 TRP HA H 461 5.205 5.539 -0.334 1
1 241 . 4 1 1 A 42 42 GLU H H 462 8.310 8.112 0.198 1
1 242 . 4 1 1 A 42 42 GLU HA H 462 4.308 4.437 -0.129 1
1 247 . 4 1 1 A 43 43 GLY H H 463 8.730 9.217 -0.487 1
1 248 . 4 1 1 A 43 43 GLY HA2 H 463 3.569 3.744 -0.175 1
1 249 . 4 1 1 A 43 43 GLY HA3 H 463 3.569 3.773 -0.204 1
1 250 . 4 1 1 A 44 44 GLY H H 464 7.730 8.432 -0.702 1
1 251 . 4 1 1 A 44 44 GLY HA2 H 464 3.713 3.785 -0.072 1
1 252 . 4 1 1 A 44 44 GLY HA3 H 464 3.139 3.839 -0.700 1
1 253 . 4 1 1 A 45 45 THR H H 465 6.343 6.840 -0.497 1
1 254 . 4 1 1 A 45 45 THR HA H 465 3.821 4.361 -0.540 1
1 259 . 4 1 1 A 46 46 CYS H H 466 8.406 8.793 -0.387 1
1 260 . 4 1 1 A 46 46 CYS HA H 466 5.281 5.405 -0.124 1
1 263 . 4 1 1 A 47 47 LYS H H 467 9.363 9.223 0.140 1
1 264 . 4 1 1 A 47 47 LYS HA H 467 4.547 5.232 -0.685 1
1 1 . 5 1 1 A 3 3 LYS H H 423 8.388 9.181 -0.793 1
1 2 . 5 1 1 A 3 3 LYS HA H 423 4.225 4.285 -0.060 1
1 11 . 5 1 1 A 5 5 SER H H 425 8.220 7.814 0.406 1
1 12 . 5 1 1 A 5 5 SER HA H 425 4.336 4.360 -0.024 1
1 15 . 5 1 1 A 6 6 LYS H H 426 8.327 8.688 -0.361 1
1 16 . 5 1 1 A 6 6 LYS HA H 426 4.269 4.436 -0.167 1
1 25 . 5 1 1 A 7 7 SER H H 427 8.235 8.000 0.235 1
1 26 . 5 1 1 A 7 7 SER HA H 427 4.343 5.135 -0.792 1
1 29 . 5 1 1 A 8 8 GLY H H 428 8.297 8.391 -0.094 1
1 30 . 5 1 1 A 8 8 GLY HA2 H 428 3.857 4.331 -0.474 1
1 31 . 5 1 1 A 8 8 GLY HA3 H 428 3.857 4.331 -0.474 1
1 32 . 5 1 1 A 9 9 VAL H H 429 7.813 8.047 -0.234 1
1 33 . 5 1 1 A 9 9 VAL HA H 429 4.322 3.728 0.594 1
1 41 . 5 1 1 A 10 10 PRO HA H 430 4.351 4.571 -0.220 1
1 48 . 5 1 1 A 11 11 VAL H H 431 8.213 8.707 -0.494 1
1 49 . 5 1 1 A 11 11 VAL HA H 431 4.019 3.711 0.308 1
1 54 . 5 1 1 A 12 12 THR H H 432 8.064 8.246 -0.182 1
1 55 . 5 1 1 A 12 12 THR HA H 432 4.222 4.410 -0.188 1
1 60 . 5 1 1 A 13 13 GLN H H 433 8.337 8.807 -0.470 1
1 61 . 5 1 1 A 13 13 GLN HA H 433 4.333 4.445 -0.112 1
1 68 . 5 1 1 A 14 14 THR H H 434 8.134 8.440 -0.306 1
1 69 . 5 1 1 A 14 14 THR HA H 434 4.198 3.982 0.216 1
1 74 . 5 1 1 A 15 15 GLN H H 435 8.373 7.941 0.432 1
1 75 . 5 1 1 A 15 15 GLN HA H 435 4.332 4.219 0.113 1
1 82 . 5 1 1 A 16 16 THR H H 436 8.127 8.111 0.016 1
1 83 . 5 1 1 A 16 16 THR HA H 436 4.207 3.888 0.319 1
1 88 . 5 1 1 A 17 17 ALA H H 437 8.306 8.517 -0.211 1
1 89 . 5 1 1 A 17 17 ALA HA H 437 4.239 3.941 0.298 1
1 93 . 5 1 1 A 18 18 GLY H H 438 8.285 8.844 -0.559 1
1 94 . 5 1 1 A 18 18 GLY HA2 H 438 3.839 4.013 -0.174 1
1 95 . 5 1 1 A 18 18 GLY HA3 H 438 3.839 4.013 -0.174 1
1 96 . 5 1 1 A 19 19 ALA H H 439 8.056 8.689 -0.633 1
1 97 . 5 1 1 A 19 19 ALA HA H 439 4.227 4.077 0.150 1
1 101 . 5 1 1 A 20 20 ASP H H 440 8.325 8.638 -0.313 1
1 102 . 5 1 1 A 20 20 ASP HA H 440 4.567 4.725 -0.158 1
1 105 . 5 1 1 A 21 21 THR H H 441 8.067 8.616 -0.549 1
1 106 . 5 1 1 A 21 21 THR HA H 441 4.300 4.041 0.259 1
1 111 . 5 1 1 A 22 22 THR H H 442 8.131 8.030 0.101 1
1 112 . 5 1 1 A 22 22 THR HA H 442 4.176 4.338 -0.162 1
1 117 . 5 1 1 A 23 23 ALA H H 443 8.147 8.524 -0.377 1
1 118 . 5 1 1 A 23 23 ALA HA H 443 4.179 4.499 -0.320 1
1 122 . 5 1 1 A 24 24 GLU H H 444 8.193 7.567 0.626 1
1 123 . 5 1 1 A 24 24 GLU HA H 444 4.206 4.232 -0.026 1
1 128 . 5 1 1 A 25 25 LYS H H 445 8.525 8.951 -0.426 1
1 129 . 5 1 1 A 25 25 LYS HA H 445 4.088 4.240 -0.152 1
1 138 . 5 1 1 A 26 26 CYS H H 446 8.624 7.971 0.653 1
1 139 . 5 1 1 A 26 26 CYS HA H 446 4.560 4.362 0.198 1
1 142 . 5 1 1 A 27 27 LYS H H 447 7.925 8.055 -0.130 1
1 143 . 5 1 1 A 27 27 LYS HA H 447 4.019 3.957 0.062 1
1 152 . 5 1 1 A 28 28 GLY H H 448 8.873 8.875 -0.002 1
1 153 . 5 1 1 A 28 28 GLY HA2 H 448 4.094 4.022 0.072 1
1 154 . 5 1 1 A 28 28 GLY HA3 H 448 3.665 4.024 -0.359 1
1 155 . 5 1 1 A 29 29 LYS H H 449 7.462 8.046 -0.584 1
1 156 . 5 1 1 A 29 29 LYS HA H 449 4.220 4.452 -0.232 1
1 165 . 5 1 1 A 30 30 GLY H H 450 8.669 8.551 0.118 1
1 166 . 5 1 1 A 30 30 GLY HA2 H 450 4.212 4.104 0.108 1
1 167 . 5 1 1 A 30 30 GLY HA3 H 450 3.563 4.319 -0.756 1
1 168 . 5 1 1 A 31 31 GLU H H 451 7.724 8.488 -0.764 1
1 169 . 5 1 1 A 31 31 GLU HA H 451 1.968 2.878 -0.910 1
1 174 . 5 1 1 A 32 32 LYS H H 452 8.012 7.928 0.084 1
1 175 . 5 1 1 A 32 32 LYS HA H 452 3.712 3.946 -0.234 1
1 184 . 5 1 1 A 33 33 ASP H H 453 7.057 7.746 -0.689 1
1 185 . 5 1 1 A 33 33 ASP HA H 453 4.678 4.438 0.240 1
1 188 . 5 1 1 A 34 34 CYS H H 454 7.329 8.159 -0.830 1
1 189 . 5 1 1 A 34 34 CYS HA H 454 4.350 4.488 -0.138 1
1 192 . 5 1 1 A 35 35 LYS H H 455 7.892 8.870 -0.978 1
1 193 . 5 1 1 A 35 35 LYS HA H 455 4.457 4.486 -0.029 1
1 202 . 5 1 1 A 36 36 SER H H 456 8.470 9.073 -0.603 1
1 203 . 5 1 1 A 36 36 SER HA H 456 4.624 4.577 0.047 1
1 206 . 5 1 1 A 37 37 PRO HA H 457 4.723 4.334 0.389 1
1 213 . 5 1 1 A 38 38 ASP H H 458 8.115 8.328 -0.213 1
1 214 . 5 1 1 A 38 38 ASP HA H 458 4.230 4.474 -0.244 1
1 217 . 5 1 1 A 39 39 CYS H H 459 7.993 8.251 -0.258 1
1 218 . 5 1 1 A 39 39 CYS HA H 459 5.259 4.979 0.280 1
1 221 . 5 1 1 A 40 40 LYS H H 460 9.018 8.722 0.296 1
1 222 . 5 1 1 A 40 40 LYS HA H 460 4.441 4.639 -0.198 1
1 231 . 5 1 1 A 41 41 TRP H H 461 8.511 8.885 -0.374 1
1 232 . 5 1 1 A 41 41 TRP HA H 461 5.205 4.814 0.391 1
1 241 . 5 1 1 A 42 42 GLU H H 462 8.310 8.511 -0.201 1
1 242 . 5 1 1 A 42 42 GLU HA H 462 4.308 4.079 0.229 1
1 247 . 5 1 1 A 43 43 GLY H H 463 8.730 6.750 1.980 1
1 248 . 5 1 1 A 43 43 GLY HA2 H 463 3.569 3.895 -0.326 1
1 249 . 5 1 1 A 43 43 GLY HA3 H 463 3.569 3.970 -0.401 1
1 250 . 5 1 1 A 44 44 GLY H H 464 7.730 7.732 -0.002 1
1 251 . 5 1 1 A 44 44 GLY HA2 H 464 3.713 4.049 -0.336 1
1 252 . 5 1 1 A 44 44 GLY HA3 H 464 3.139 4.130 -0.991 1
1 253 . 5 1 1 A 45 45 THR H H 465 6.343 6.531 -0.188 1
1 254 . 5 1 1 A 45 45 THR HA H 465 3.821 4.309 -0.488 1
1 259 . 5 1 1 A 46 46 CYS H H 466 8.406 8.772 -0.366 1
1 260 . 5 1 1 A 46 46 CYS HA H 466 5.281 5.110 0.171 1
1 263 . 5 1 1 A 47 47 LYS H H 467 9.363 8.489 0.874 1
1 264 . 5 1 1 A 47 47 LYS HA H 467 4.547 4.978 -0.431 1
1 1 . 6 1 1 A 3 3 LYS H H 423 8.388 8.044 0.344 1
1 2 . 6 1 1 A 3 3 LYS HA H 423 4.225 4.000 0.225 1
1 11 . 6 1 1 A 5 5 SER H H 425 8.220 7.969 0.251 1
1 12 . 6 1 1 A 5 5 SER HA H 425 4.336 4.771 -0.435 1
1 15 . 6 1 1 A 6 6 LYS H H 426 8.327 8.197 0.130 1
1 16 . 6 1 1 A 6 6 LYS HA H 426 4.269 4.416 -0.147 1
1 25 . 6 1 1 A 7 7 SER H H 427 8.235 8.356 -0.121 1
1 26 . 6 1 1 A 7 7 SER HA H 427 4.343 5.090 -0.747 1
1 29 . 6 1 1 A 8 8 GLY H H 428 8.297 8.769 -0.472 1
1 30 . 6 1 1 A 8 8 GLY HA2 H 428 3.857 4.055 -0.198 1
1 31 . 6 1 1 A 8 8 GLY HA3 H 428 3.857 4.055 -0.198 1
1 32 . 6 1 1 A 9 9 VAL H H 429 7.813 8.158 -0.345 1
1 33 . 6 1 1 A 9 9 VAL HA H 429 4.322 4.766 -0.444 1
1 41 . 6 1 1 A 10 10 PRO HA H 430 4.351 4.323 0.028 1
1 48 . 6 1 1 A 11 11 VAL H H 431 8.213 7.983 0.230 1
1 49 . 6 1 1 A 11 11 VAL HA H 431 4.019 3.763 0.256 1
1 54 . 6 1 1 A 12 12 THR H H 432 8.064 8.358 -0.294 1
1 55 . 6 1 1 A 12 12 THR HA H 432 4.222 3.894 0.328 1
1 60 . 6 1 1 A 13 13 GLN H H 433 8.337 7.730 0.607 1
1 61 . 6 1 1 A 13 13 GLN HA H 433 4.333 4.519 -0.186 1
1 68 . 6 1 1 A 14 14 THR H H 434 8.134 7.846 0.288 1
1 69 . 6 1 1 A 14 14 THR HA H 434 4.198 4.353 -0.155 1
1 74 . 6 1 1 A 15 15 GLN H H 435 8.373 8.329 0.044 1
1 75 . 6 1 1 A 15 15 GLN HA H 435 4.332 3.964 0.368 1
1 82 . 6 1 1 A 16 16 THR H H 436 8.127 7.948 0.179 1
1 83 . 6 1 1 A 16 16 THR HA H 436 4.207 4.025 0.182 1
1 88 . 6 1 1 A 17 17 ALA H H 437 8.306 8.189 0.117 1
1 89 . 6 1 1 A 17 17 ALA HA H 437 4.239 4.279 -0.040 1
1 93 . 6 1 1 A 18 18 GLY H H 438 8.285 8.610 -0.325 1
1 94 . 6 1 1 A 18 18 GLY HA2 H 438 3.839 3.953 -0.114 1
1 95 . 6 1 1 A 18 18 GLY HA3 H 438 3.839 3.953 -0.114 1
1 96 . 6 1 1 A 19 19 ALA H H 439 8.056 7.834 0.222 1
1 97 . 6 1 1 A 19 19 ALA HA H 439 4.227 4.552 -0.325 1
1 101 . 6 1 1 A 20 20 ASP H H 440 8.325 7.872 0.453 1
1 102 . 6 1 1 A 20 20 ASP HA H 440 4.567 4.947 -0.380 1
1 105 . 6 1 1 A 21 21 THR H H 441 8.067 8.094 -0.027 1
1 106 . 6 1 1 A 21 21 THR HA H 441 4.300 3.788 0.512 1
1 111 . 6 1 1 A 22 22 THR H H 442 8.131 7.924 0.207 1
1 112 . 6 1 1 A 22 22 THR HA H 442 4.176 4.003 0.173 1
1 117 . 6 1 1 A 23 23 ALA H H 443 8.147 8.719 -0.572 1
1 118 . 6 1 1 A 23 23 ALA HA H 443 4.179 4.039 0.140 1
1 122 . 6 1 1 A 24 24 GLU H H 444 8.193 7.854 0.339 1
1 123 . 6 1 1 A 24 24 GLU HA H 444 4.206 4.676 -0.470 1
1 128 . 6 1 1 A 25 25 LYS H H 445 8.525 8.782 -0.257 1
1 129 . 6 1 1 A 25 25 LYS HA H 445 4.088 3.965 0.123 1
1 138 . 6 1 1 A 26 26 CYS H H 446 8.624 7.235 1.389 1
1 139 . 6 1 1 A 26 26 CYS HA H 446 4.560 4.512 0.048 1
1 142 . 6 1 1 A 27 27 LYS H H 447 7.925 7.843 0.082 1
1 143 . 6 1 1 A 27 27 LYS HA H 447 4.019 3.953 0.066 1
1 152 . 6 1 1 A 28 28 GLY H H 448 8.873 8.900 -0.027 1
1 153 . 6 1 1 A 28 28 GLY HA2 H 448 4.094 4.024 0.070 1
1 154 . 6 1 1 A 28 28 GLY HA3 H 448 3.665 4.033 -0.368 1
1 155 . 6 1 1 A 29 29 LYS H H 449 7.462 7.487 -0.025 1
1 156 . 6 1 1 A 29 29 LYS HA H 449 4.220 4.404 -0.184 1
1 165 . 6 1 1 A 30 30 GLY H H 450 8.669 8.478 0.191 1
1 166 . 6 1 1 A 30 30 GLY HA2 H 450 4.212 4.025 0.187 1
1 167 . 6 1 1 A 30 30 GLY HA3 H 450 3.563 4.119 -0.556 1
1 168 . 6 1 1 A 31 31 GLU H H 451 7.724 8.448 -0.724 1
1 169 . 6 1 1 A 31 31 GLU HA H 451 1.968 2.417 -0.449 1
1 174 . 6 1 1 A 32 32 LYS H H 452 8.012 7.705 0.307 1
1 175 . 6 1 1 A 32 32 LYS HA H 452 3.712 3.919 -0.207 1
1 184 . 6 1 1 A 33 33 ASP H H 453 7.057 7.945 -0.888 1
1 185 . 6 1 1 A 33 33 ASP HA H 453 4.678 4.325 0.353 1
1 188 . 6 1 1 A 34 34 CYS H H 454 7.329 8.249 -0.920 1
1 189 . 6 1 1 A 34 34 CYS HA H 454 4.350 4.585 -0.235 1
1 192 . 6 1 1 A 35 35 LYS H H 455 7.892 8.536 -0.644 1
1 193 . 6 1 1 A 35 35 LYS HA H 455 4.457 4.152 0.305 1
1 202 . 6 1 1 A 36 36 SER H H 456 8.470 8.979 -0.509 1
1 203 . 6 1 1 A 36 36 SER HA H 456 4.624 4.482 0.142 1
1 206 . 6 1 1 A 37 37 PRO HA H 457 4.723 4.317 0.406 1
1 213 . 6 1 1 A 38 38 ASP H H 458 8.115 8.312 -0.197 1
1 214 . 6 1 1 A 38 38 ASP HA H 458 4.230 4.385 -0.155 1
1 217 . 6 1 1 A 39 39 CYS H H 459 7.993 8.579 -0.586 1
1 218 . 6 1 1 A 39 39 CYS HA H 459 5.259 4.967 0.292 1
1 221 . 6 1 1 A 40 40 LYS H H 460 9.018 8.374 0.644 1
1 222 . 6 1 1 A 40 40 LYS HA H 460 4.441 4.651 -0.210 1
1 231 . 6 1 1 A 41 41 TRP H H 461 8.511 8.750 -0.239 1
1 232 . 6 1 1 A 41 41 TRP HA H 461 5.205 5.337 -0.132 1
1 241 . 6 1 1 A 42 42 GLU H H 462 8.310 8.262 0.048 1
1 242 . 6 1 1 A 42 42 GLU HA H 462 4.308 4.353 -0.045 1
1 247 . 6 1 1 A 43 43 GLY H H 463 8.730 8.197 0.533 1
1 248 . 6 1 1 A 43 43 GLY HA2 H 463 3.569 3.759 -0.190 1
1 249 . 6 1 1 A 43 43 GLY HA3 H 463 3.569 3.785 -0.216 1
1 250 . 6 1 1 A 44 44 GLY H H 464 7.730 7.225 0.505 1
1 251 . 6 1 1 A 44 44 GLY HA2 H 464 3.713 3.914 -0.201 1
1 252 . 6 1 1 A 44 44 GLY HA3 H 464 3.139 3.977 -0.838 1
1 253 . 6 1 1 A 45 45 THR H H 465 6.343 6.574 -0.231 1
1 254 . 6 1 1 A 45 45 THR HA H 465 3.821 4.464 -0.643 1
1 259 . 6 1 1 A 46 46 CYS H H 466 8.406 8.940 -0.534 1
1 260 . 6 1 1 A 46 46 CYS HA H 466 5.281 5.248 0.033 1
1 263 . 6 1 1 A 47 47 LYS H H 467 9.363 9.204 0.159 1
1 264 . 6 1 1 A 47 47 LYS HA H 467 4.547 5.004 -0.457 1
1 1 . 7 1 1 A 3 3 LYS H H 423 8.388 8.095 0.293 1
1 2 . 7 1 1 A 3 3 LYS HA H 423 4.225 4.413 -0.188 1
1 11 . 7 1 1 A 5 5 SER H H 425 8.220 8.156 0.064 1
1 12 . 7 1 1 A 5 5 SER HA H 425 4.336 4.194 0.142 1
1 15 . 7 1 1 A 6 6 LYS H H 426 8.327 7.529 0.798 1
1 16 . 7 1 1 A 6 6 LYS HA H 426 4.269 4.793 -0.524 1
1 25 . 7 1 1 A 7 7 SER H H 427 8.235 8.771 -0.536 1
1 26 . 7 1 1 A 7 7 SER HA H 427 4.343 5.267 -0.924 1
1 29 . 7 1 1 A 8 8 GLY H H 428 8.297 8.295 0.002 1
1 30 . 7 1 1 A 8 8 GLY HA2 H 428 3.857 4.157 -0.300 1
1 31 . 7 1 1 A 8 8 GLY HA3 H 428 3.857 4.157 -0.300 1
1 32 . 7 1 1 A 9 9 VAL H H 429 7.813 8.567 -0.754 1
1 33 . 7 1 1 A 9 9 VAL HA H 429 4.322 3.857 0.465 1
1 41 . 7 1 1 A 10 10 PRO HA H 430 4.351 4.580 -0.229 1
1 48 . 7 1 1 A 11 11 VAL H H 431 8.213 8.399 -0.186 1
1 49 . 7 1 1 A 11 11 VAL HA H 431 4.019 4.307 -0.288 1
1 54 . 7 1 1 A 12 12 THR H H 432 8.064 7.799 0.265 1
1 55 . 7 1 1 A 12 12 THR HA H 432 4.222 4.155 0.067 1
1 60 . 7 1 1 A 13 13 GLN H H 433 8.337 7.818 0.519 1
1 61 . 7 1 1 A 13 13 GLN HA H 433 4.333 4.545 -0.212 1
1 68 . 7 1 1 A 14 14 THR H H 434 8.134 7.813 0.321 1
1 69 . 7 1 1 A 14 14 THR HA H 434 4.198 4.904 -0.706 1
1 74 . 7 1 1 A 15 15 GLN H H 435 8.373 8.572 -0.199 1
1 75 . 7 1 1 A 15 15 GLN HA H 435 4.332 4.767 -0.435 1
1 82 . 7 1 1 A 16 16 THR H H 436 8.127 8.781 -0.654 1
1 83 . 7 1 1 A 16 16 THR HA H 436 4.207 3.886 0.321 1
1 88 . 7 1 1 A 17 17 ALA H H 437 8.306 7.663 0.643 1
1 89 . 7 1 1 A 17 17 ALA HA H 437 4.239 4.458 -0.219 1
1 93 . 7 1 1 A 18 18 GLY H H 438 8.285 7.663 0.622 1
1 94 . 7 1 1 A 18 18 GLY HA2 H 438 3.839 4.049 -0.210 1
1 95 . 7 1 1 A 18 18 GLY HA3 H 438 3.839 4.049 -0.210 1
1 96 . 7 1 1 A 19 19 ALA H H 439 8.056 7.798 0.258 1
1 97 . 7 1 1 A 19 19 ALA HA H 439 4.227 4.591 -0.364 1
1 101 . 7 1 1 A 20 20 ASP H H 440 8.325 8.847 -0.522 1
1 102 . 7 1 1 A 20 20 ASP HA H 440 4.567 4.627 -0.060 1
1 105 . 7 1 1 A 21 21 THR H H 441 8.067 7.626 0.441 1
1 106 . 7 1 1 A 21 21 THR HA H 441 4.300 4.370 -0.070 1
1 111 . 7 1 1 A 22 22 THR H H 442 8.131 8.731 -0.600 1
1 112 . 7 1 1 A 22 22 THR HA H 442 4.176 4.239 -0.063 1
1 117 . 7 1 1 A 23 23 ALA H H 443 8.147 8.754 -0.607 1
1 118 . 7 1 1 A 23 23 ALA HA H 443 4.179 4.365 -0.186 1
1 122 . 7 1 1 A 24 24 GLU H H 444 8.193 7.713 0.480 1
1 123 . 7 1 1 A 24 24 GLU HA H 444 4.206 4.228 -0.022 1
1 128 . 7 1 1 A 25 25 LYS H H 445 8.525 9.048 -0.523 1
1 129 . 7 1 1 A 25 25 LYS HA H 445 4.088 3.882 0.206 1
1 138 . 7 1 1 A 26 26 CYS H H 446 8.624 7.903 0.721 1
1 139 . 7 1 1 A 26 26 CYS HA H 446 4.560 4.600 -0.040 1
1 142 . 7 1 1 A 27 27 LYS H H 447 7.925 7.754 0.171 1
1 143 . 7 1 1 A 27 27 LYS HA H 447 4.019 4.046 -0.027 1
1 152 . 7 1 1 A 28 28 GLY H H 448 8.873 8.840 0.033 1
1 153 . 7 1 1 A 28 28 GLY HA2 H 448 4.094 3.915 0.179 1
1 154 . 7 1 1 A 28 28 GLY HA3 H 448 3.665 3.916 -0.251 1
1 155 . 7 1 1 A 29 29 LYS H H 449 7.462 7.964 -0.502 1
1 156 . 7 1 1 A 29 29 LYS HA H 449 4.220 4.777 -0.557 1
1 165 . 7 1 1 A 30 30 GLY H H 450 8.669 8.558 0.111 1
1 166 . 7 1 1 A 30 30 GLY HA2 H 450 4.212 4.135 0.077 1
1 167 . 7 1 1 A 30 30 GLY HA3 H 450 3.563 4.292 -0.729 1
1 168 . 7 1 1 A 31 31 GLU H H 451 7.724 8.578 -0.854 1
1 169 . 7 1 1 A 31 31 GLU HA H 451 1.968 3.058 -1.090 1
1 174 . 7 1 1 A 32 32 LYS H H 452 8.012 7.781 0.231 1
1 175 . 7 1 1 A 32 32 LYS HA H 452 3.712 4.013 -0.301 1
1 184 . 7 1 1 A 33 33 ASP H H 453 7.057 7.497 -0.440 1
1 185 . 7 1 1 A 33 33 ASP HA H 453 4.678 4.452 0.226 1
1 188 . 7 1 1 A 34 34 CYS H H 454 7.329 8.372 -1.043 1
1 189 . 7 1 1 A 34 34 CYS HA H 454 4.350 4.550 -0.200 1
1 192 . 7 1 1 A 35 35 LYS H H 455 7.892 7.974 -0.082 1
1 193 . 7 1 1 A 35 35 LYS HA H 455 4.457 5.102 -0.645 1
1 202 . 7 1 1 A 36 36 SER H H 456 8.470 8.652 -0.182 1
1 203 . 7 1 1 A 36 36 SER HA H 456 4.624 4.939 -0.315 1
1 206 . 7 1 1 A 37 37 PRO HA H 457 4.723 4.485 0.238 1
1 213 . 7 1 1 A 38 38 ASP H H 458 8.115 8.173 -0.058 1
1 214 . 7 1 1 A 38 38 ASP HA H 458 4.230 4.886 -0.656 1
1 217 . 7 1 1 A 39 39 CYS H H 459 7.993 7.907 0.086 1
1 218 . 7 1 1 A 39 39 CYS HA H 459 5.259 4.638 0.621 1
1 221 . 7 1 1 A 40 40 LYS H H 460 9.018 8.687 0.331 1
1 222 . 7 1 1 A 40 40 LYS HA H 460 4.441 5.019 -0.578 1
1 231 . 7 1 1 A 41 41 TRP H H 461 8.511 9.027 -0.516 1
1 232 . 7 1 1 A 41 41 TRP HA H 461 5.205 5.040 0.165 1
1 241 . 7 1 1 A 42 42 GLU H H 462 8.310 8.714 -0.404 1
1 242 . 7 1 1 A 42 42 GLU HA H 462 4.308 4.216 0.092 1
1 247 . 7 1 1 A 43 43 GLY H H 463 8.730 6.785 1.945 1
1 248 . 7 1 1 A 43 43 GLY HA2 H 463 3.569 3.932 -0.363 1
1 249 . 7 1 1 A 43 43 GLY HA3 H 463 3.569 4.038 -0.469 1
1 250 . 7 1 1 A 44 44 GLY H H 464 7.730 7.844 -0.114 1
1 251 . 7 1 1 A 44 44 GLY HA2 H 464 3.713 4.008 -0.295 1
1 252 . 7 1 1 A 44 44 GLY HA3 H 464 3.139 4.063 -0.924 1
1 253 . 7 1 1 A 45 45 THR H H 465 6.343 6.770 -0.427 1
1 254 . 7 1 1 A 45 45 THR HA H 465 3.821 4.256 -0.435 1
1 259 . 7 1 1 A 46 46 CYS H H 466 8.406 8.765 -0.359 1
1 260 . 7 1 1 A 46 46 CYS HA H 466 5.281 5.441 -0.160 1
1 263 . 7 1 1 A 47 47 LYS H H 467 9.363 8.732 0.631 1
1 264 . 7 1 1 A 47 47 LYS HA H 467 4.547 4.701 -0.154 1
1 1 . 8 1 1 A 3 3 LYS H H 423 8.388 8.368 0.020 1
1 2 . 8 1 1 A 3 3 LYS HA H 423 4.225 4.420 -0.195 1
1 11 . 8 1 1 A 5 5 SER H H 425 8.220 8.887 -0.667 1
1 12 . 8 1 1 A 5 5 SER HA H 425 4.336 4.368 -0.032 1
1 15 . 8 1 1 A 6 6 LYS H H 426 8.327 8.122 0.205 1
1 16 . 8 1 1 A 6 6 LYS HA H 426 4.269 4.546 -0.277 1
1 25 . 8 1 1 A 7 7 SER H H 427 8.235 7.941 0.294 1
1 26 . 8 1 1 A 7 7 SER HA H 427 4.343 4.259 0.084 1
1 29 . 8 1 1 A 8 8 GLY H H 428 8.297 8.770 -0.473 1
1 30 . 8 1 1 A 8 8 GLY HA2 H 428 3.857 3.974 -0.117 1
1 31 . 8 1 1 A 8 8 GLY HA3 H 428 3.857 3.974 -0.117 1
1 32 . 8 1 1 A 9 9 VAL H H 429 7.813 7.568 0.245 1
1 33 . 8 1 1 A 9 9 VAL HA H 429 4.322 3.851 0.471 1
1 41 . 8 1 1 A 10 10 PRO HA H 430 4.351 4.587 -0.236 1
1 48 . 8 1 1 A 11 11 VAL H H 431 8.213 8.614 -0.401 1
1 49 . 8 1 1 A 11 11 VAL HA H 431 4.019 3.992 0.027 1
1 54 . 8 1 1 A 12 12 THR H H 432 8.064 8.378 -0.314 1
1 55 . 8 1 1 A 12 12 THR HA H 432 4.222 4.044 0.178 1
1 60 . 8 1 1 A 13 13 GLN H H 433 8.337 7.823 0.514 1
1 61 . 8 1 1 A 13 13 GLN HA H 433 4.333 4.008 0.325 1
1 68 . 8 1 1 A 14 14 THR H H 434 8.134 8.072 0.062 1
1 69 . 8 1 1 A 14 14 THR HA H 434 4.198 4.050 0.148 1
1 74 . 8 1 1 A 15 15 GLN H H 435 8.373 8.415 -0.042 1
1 75 . 8 1 1 A 15 15 GLN HA H 435 4.332 4.015 0.317 1
1 82 . 8 1 1 A 16 16 THR H H 436 8.127 8.425 -0.298 1
1 83 . 8 1 1 A 16 16 THR HA H 436 4.207 4.444 -0.237 1
1 88 . 8 1 1 A 17 17 ALA H H 437 8.306 8.241 0.065 1
1 89 . 8 1 1 A 17 17 ALA HA H 437 4.239 4.239 0.000 1
1 93 . 8 1 1 A 18 18 GLY H H 438 8.285 8.826 -0.541 1
1 94 . 8 1 1 A 18 18 GLY HA2 H 438 3.839 3.833 0.006 1
1 95 . 8 1 1 A 18 18 GLY HA3 H 438 3.839 3.833 0.006 1
1 96 . 8 1 1 A 19 19 ALA H H 439 8.056 8.004 0.052 1
1 97 . 8 1 1 A 19 19 ALA HA H 439 4.227 4.600 -0.373 1
1 101 . 8 1 1 A 20 20 ASP H H 440 8.325 8.750 -0.425 1
1 102 . 8 1 1 A 20 20 ASP HA H 440 4.567 4.320 0.247 1
1 105 . 8 1 1 A 21 21 THR H H 441 8.067 7.912 0.155 1
1 106 . 8 1 1 A 21 21 THR HA H 441 4.300 4.628 -0.328 1
1 111 . 8 1 1 A 22 22 THR H H 442 8.131 8.674 -0.543 1
1 112 . 8 1 1 A 22 22 THR HA H 442 4.176 4.692 -0.516 1
1 117 . 8 1 1 A 23 23 ALA H H 443 8.147 8.771 -0.624 1
1 118 . 8 1 1 A 23 23 ALA HA H 443 4.179 4.245 -0.066 1
1 122 . 8 1 1 A 24 24 GLU H H 444 8.193 7.788 0.405 1
1 123 . 8 1 1 A 24 24 GLU HA H 444 4.206 4.581 -0.375 1
1 128 . 8 1 1 A 25 25 LYS H H 445 8.525 8.773 -0.248 1
1 129 . 8 1 1 A 25 25 LYS HA H 445 4.088 3.834 0.254 1
1 138 . 8 1 1 A 26 26 CYS H H 446 8.624 8.445 0.179 1
1 139 . 8 1 1 A 26 26 CYS HA H 446 4.560 4.212 0.348 1
1 142 . 8 1 1 A 27 27 LYS H H 447 7.925 7.579 0.346 1
1 143 . 8 1 1 A 27 27 LYS HA H 447 4.019 4.007 0.012 1
1 152 . 8 1 1 A 28 28 GLY H H 448 8.873 8.838 0.035 1
1 153 . 8 1 1 A 28 28 GLY HA2 H 448 4.094 3.909 0.185 1
1 154 . 8 1 1 A 28 28 GLY HA3 H 448 3.665 3.916 -0.251 1
1 155 . 8 1 1 A 29 29 LYS H H 449 7.462 7.950 -0.488 1
1 156 . 8 1 1 A 29 29 LYS HA H 449 4.220 4.741 -0.521 1
1 165 . 8 1 1 A 30 30 GLY H H 450 8.669 8.573 0.096 1
1 166 . 8 1 1 A 30 30 GLY HA2 H 450 4.212 4.103 0.109 1
1 167 . 8 1 1 A 30 30 GLY HA3 H 450 3.563 4.229 -0.666 1
1 168 . 8 1 1 A 31 31 GLU H H 451 7.724 8.647 -0.923 1
1 169 . 8 1 1 A 31 31 GLU HA H 451 1.968 2.426 -0.458 1
1 174 . 8 1 1 A 32 32 LYS H H 452 8.012 7.773 0.239 1
1 175 . 8 1 1 A 32 32 LYS HA H 452 3.712 3.974 -0.262 1
1 184 . 8 1 1 A 33 33 ASP H H 453 7.057 7.875 -0.818 1
1 185 . 8 1 1 A 33 33 ASP HA H 453 4.678 4.431 0.247 1
1 188 . 8 1 1 A 34 34 CYS H H 454 7.329 8.235 -0.906 1
1 189 . 8 1 1 A 34 34 CYS HA H 454 4.350 4.487 -0.137 1
1 192 . 8 1 1 A 35 35 LYS H H 455 7.892 8.610 -0.718 1
1 193 . 8 1 1 A 35 35 LYS HA H 455 4.457 4.771 -0.314 1
1 202 . 8 1 1 A 36 36 SER H H 456 8.470 9.140 -0.670 1
1 203 . 8 1 1 A 36 36 SER HA H 456 4.624 4.697 -0.073 1
1 206 . 8 1 1 A 37 37 PRO HA H 457 4.723 4.315 0.408 1
1 213 . 8 1 1 A 38 38 ASP H H 458 8.115 8.001 0.114 1
1 214 . 8 1 1 A 38 38 ASP HA H 458 4.230 4.446 -0.216 1
1 217 . 8 1 1 A 39 39 CYS H H 459 7.993 8.563 -0.570 1
1 218 . 8 1 1 A 39 39 CYS HA H 459 5.259 4.929 0.330 1
1 221 . 8 1 1 A 40 40 LYS H H 460 9.018 8.685 0.333 1
1 222 . 8 1 1 A 40 40 LYS HA H 460 4.441 4.703 -0.262 1
1 231 . 8 1 1 A 41 41 TRP H H 461 8.511 8.964 -0.453 1
1 232 . 8 1 1 A 41 41 TRP HA H 461 5.205 4.883 0.322 1
1 241 . 8 1 1 A 42 42 GLU H H 462 8.310 8.564 -0.254 1
1 242 . 8 1 1 A 42 42 GLU HA H 462 4.308 4.604 -0.296 1
1 247 . 8 1 1 A 43 43 GLY H H 463 8.730 8.951 -0.221 1
1 248 . 8 1 1 A 43 43 GLY HA2 H 463 3.569 3.782 -0.213 1
1 249 . 8 1 1 A 43 43 GLY HA3 H 463 3.569 3.847 -0.278 1
1 250 . 8 1 1 A 44 44 GLY H H 464 7.730 8.024 -0.294 1
1 251 . 8 1 1 A 44 44 GLY HA2 H 464 3.713 4.057 -0.344 1
1 252 . 8 1 1 A 44 44 GLY HA3 H 464 3.139 4.072 -0.933 1
1 253 . 8 1 1 A 45 45 THR H H 465 6.343 6.426 -0.083 1
1 254 . 8 1 1 A 45 45 THR HA H 465 3.821 4.271 -0.450 1
1 259 . 8 1 1 A 46 46 CYS H H 466 8.406 8.834 -0.428 1
1 260 . 8 1 1 A 46 46 CYS HA H 466 5.281 5.304 -0.023 1
1 263 . 8 1 1 A 47 47 LYS H H 467 9.363 8.866 0.497 1
1 264 . 8 1 1 A 47 47 LYS HA H 467 4.547 5.306 -0.759 1
1 1 . 9 1 1 A 3 3 LYS H H 423 8.388 8.800 -0.412 1
1 2 . 9 1 1 A 3 3 LYS HA H 423 4.225 4.420 -0.195 1
1 11 . 9 1 1 A 5 5 SER H H 425 8.220 8.551 -0.331 1
1 12 . 9 1 1 A 5 5 SER HA H 425 4.336 4.398 -0.062 1
1 15 . 9 1 1 A 6 6 LYS H H 426 8.327 8.739 -0.412 1
1 16 . 9 1 1 A 6 6 LYS HA H 426 4.269 4.501 -0.232 1
1 25 . 9 1 1 A 7 7 SER H H 427 8.235 8.466 -0.231 1
1 26 . 9 1 1 A 7 7 SER HA H 427 4.343 4.287 0.056 1
1 29 . 9 1 1 A 8 8 GLY H H 428 8.297 7.852 0.445 1
1 30 . 9 1 1 A 8 8 GLY HA2 H 428 3.857 3.983 -0.126 1
1 31 . 9 1 1 A 8 8 GLY HA3 H 428 3.857 3.983 -0.126 1
1 32 . 9 1 1 A 9 9 VAL H H 429 7.813 8.352 -0.539 1
1 33 . 9 1 1 A 9 9 VAL HA H 429 4.322 4.746 -0.424 1
1 41 . 9 1 1 A 10 10 PRO HA H 430 4.351 4.316 0.035 1
1 48 . 9 1 1 A 11 11 VAL H H 431 8.213 7.671 0.542 1
1 49 . 9 1 1 A 11 11 VAL HA H 431 4.019 4.025 -0.006 1
1 54 . 9 1 1 A 12 12 THR H H 432 8.064 8.769 -0.705 1
1 55 . 9 1 1 A 12 12 THR HA H 432 4.222 4.250 -0.028 1
1 60 . 9 1 1 A 13 13 GLN H H 433 8.337 8.806 -0.469 1
1 61 . 9 1 1 A 13 13 GLN HA H 433 4.333 4.502 -0.169 1
1 68 . 9 1 1 A 14 14 THR H H 434 8.134 8.076 0.058 1
1 69 . 9 1 1 A 14 14 THR HA H 434 4.198 4.194 0.004 1
1 74 . 9 1 1 A 15 15 GLN H H 435 8.373 7.881 0.492 1
1 75 . 9 1 1 A 15 15 GLN HA H 435 4.332 3.926 0.406 1
1 82 . 9 1 1 A 16 16 THR H H 436 8.127 8.766 -0.639 1
1 83 . 9 1 1 A 16 16 THR HA H 436 4.207 4.270 -0.063 1
1 88 . 9 1 1 A 17 17 ALA H H 437 8.306 8.723 -0.417 1
1 89 . 9 1 1 A 17 17 ALA HA H 437 4.239 4.093 0.146 1
1 93 . 9 1 1 A 18 18 GLY H H 438 8.285 8.654 -0.369 1
1 94 . 9 1 1 A 18 18 GLY HA2 H 438 3.839 4.144 -0.305 1
1 95 . 9 1 1 A 18 18 GLY HA3 H 438 3.839 4.144 -0.305 1
1 96 . 9 1 1 A 19 19 ALA H H 439 8.056 8.295 -0.239 1
1 97 . 9 1 1 A 19 19 ALA HA H 439 4.227 4.628 -0.401 1
1 101 . 9 1 1 A 20 20 ASP H H 440 8.325 8.150 0.175 1
1 102 . 9 1 1 A 20 20 ASP HA H 440 4.567 4.459 0.108 1
1 105 . 9 1 1 A 21 21 THR H H 441 8.067 8.373 -0.306 1
1 106 . 9 1 1 A 21 21 THR HA H 441 4.300 4.222 0.078 1
1 111 . 9 1 1 A 22 22 THR H H 442 8.131 7.682 0.449 1
1 112 . 9 1 1 A 22 22 THR HA H 442 4.176 4.693 -0.517 1
1 117 . 9 1 1 A 23 23 ALA H H 443 8.147 8.715 -0.568 1
1 118 . 9 1 1 A 23 23 ALA HA H 443 4.179 4.475 -0.296 1
1 122 . 9 1 1 A 24 24 GLU H H 444 8.193 9.020 -0.827 1
1 123 . 9 1 1 A 24 24 GLU HA H 444 4.206 4.488 -0.282 1
1 128 . 9 1 1 A 25 25 LYS H H 445 8.525 8.388 0.137 1
1 129 . 9 1 1 A 25 25 LYS HA H 445 4.088 4.052 0.036 1
1 138 . 9 1 1 A 26 26 CYS H H 446 8.624 8.020 0.604 1
1 139 . 9 1 1 A 26 26 CYS HA H 446 4.560 4.763 -0.203 1
1 142 . 9 1 1 A 27 27 LYS H H 447 7.925 7.660 0.265 1
1 143 . 9 1 1 A 27 27 LYS HA H 447 4.019 4.794 -0.775 1
1 152 . 9 1 1 A 28 28 GLY H H 448 8.873 8.951 -0.078 1
1 153 . 9 1 1 A 28 28 GLY HA2 H 448 4.094 4.026 0.068 1
1 154 . 9 1 1 A 28 28 GLY HA3 H 448 3.665 4.028 -0.363 1
1 155 . 9 1 1 A 29 29 LYS H H 449 7.462 8.000 -0.538 1
1 156 . 9 1 1 A 29 29 LYS HA H 449 4.220 4.349 -0.129 1
1 165 . 9 1 1 A 30 30 GLY H H 450 8.669 8.543 0.126 1
1 166 . 9 1 1 A 30 30 GLY HA2 H 450 4.212 4.078 0.134 1
1 167 . 9 1 1 A 30 30 GLY HA3 H 450 3.563 4.203 -0.640 1
1 168 . 9 1 1 A 31 31 GLU H H 451 7.724 8.544 -0.820 1
1 169 . 9 1 1 A 31 31 GLU HA H 451 1.968 2.014 -0.046 1
1 174 . 9 1 1 A 32 32 LYS H H 452 8.012 7.712 0.300 1
1 175 . 9 1 1 A 32 32 LYS HA H 452 3.712 3.932 -0.220 1
1 184 . 9 1 1 A 33 33 ASP H H 453 7.057 8.056 -0.999 1
1 185 . 9 1 1 A 33 33 ASP HA H 453 4.678 4.268 0.410 1
1 188 . 9 1 1 A 34 34 CYS H H 454 7.329 8.069 -0.740 1
1 189 . 9 1 1 A 34 34 CYS HA H 454 4.350 4.414 -0.064 1
1 192 . 9 1 1 A 35 35 LYS H H 455 7.892 8.556 -0.664 1
1 193 . 9 1 1 A 35 35 LYS HA H 455 4.457 4.636 -0.179 1
1 202 . 9 1 1 A 36 36 SER H H 456 8.470 7.877 0.593 1
1 203 . 9 1 1 A 36 36 SER HA H 456 4.624 4.501 0.123 1
1 206 . 9 1 1 A 37 37 PRO HA H 457 4.723 4.447 0.276 1
1 213 . 9 1 1 A 38 38 ASP H H 458 8.115 8.320 -0.205 1
1 214 . 9 1 1 A 38 38 ASP HA H 458 4.230 4.880 -0.650 1
1 217 . 9 1 1 A 39 39 CYS H H 459 7.993 7.620 0.373 1
1 218 . 9 1 1 A 39 39 CYS HA H 459 5.259 4.700 0.559 1
1 221 . 9 1 1 A 40 40 LYS H H 460 9.018 8.571 0.447 1
1 222 . 9 1 1 A 40 40 LYS HA H 460 4.441 4.948 -0.507 1
1 231 . 9 1 1 A 41 41 TRP H H 461 8.511 8.945 -0.434 1
1 232 . 9 1 1 A 41 41 TRP HA H 461 5.205 4.911 0.294 1
1 241 . 9 1 1 A 42 42 GLU H H 462 8.310 8.392 -0.082 1
1 242 . 9 1 1 A 42 42 GLU HA H 462 4.308 4.482 -0.174 1
1 247 . 9 1 1 A 43 43 GLY H H 463 8.730 9.163 -0.433 1
1 248 . 9 1 1 A 43 43 GLY HA2 H 463 3.569 3.700 -0.131 1
1 249 . 9 1 1 A 43 43 GLY HA3 H 463 3.569 3.730 -0.161 1
1 250 . 9 1 1 A 44 44 GLY H H 464 7.730 8.378 -0.648 1
1 251 . 9 1 1 A 44 44 GLY HA2 H 464 3.713 3.776 -0.063 1
1 252 . 9 1 1 A 44 44 GLY HA3 H 464 3.139 3.817 -0.678 1
1 253 . 9 1 1 A 45 45 THR H H 465 6.343 6.763 -0.420 1
1 254 . 9 1 1 A 45 45 THR HA H 465 3.821 4.219 -0.398 1
1 259 . 9 1 1 A 46 46 CYS H H 466 8.406 8.795 -0.389 1
1 260 . 9 1 1 A 46 46 CYS HA H 466 5.281 4.885 0.396 1
1 263 . 9 1 1 A 47 47 LYS H H 467 9.363 8.330 1.033 1
1 264 . 9 1 1 A 47 47 LYS HA H 467 4.547 4.911 -0.364 1
1 1 . 10 1 1 A 3 3 LYS H H 423 8.388 8.788 -0.400 1
1 2 . 10 1 1 A 3 3 LYS HA H 423 4.225 4.254 -0.029 1
1 11 . 10 1 1 A 5 5 SER H H 425 8.220 8.930 -0.710 1
1 12 . 10 1 1 A 5 5 SER HA H 425 4.336 4.081 0.255 1
1 15 . 10 1 1 A 6 6 LYS H H 426 8.327 7.915 0.412 1
1 16 . 10 1 1 A 6 6 LYS HA H 426 4.269 4.683 -0.414 1
1 25 . 10 1 1 A 7 7 SER H H 427 8.235 8.608 -0.373 1
1 26 . 10 1 1 A 7 7 SER HA H 427 4.343 4.764 -0.421 1
1 29 . 10 1 1 A 8 8 GLY H H 428 8.297 7.544 0.753 1
1 30 . 10 1 1 A 8 8 GLY HA2 H 428 3.857 4.116 -0.259 1
1 31 . 10 1 1 A 8 8 GLY HA3 H 428 3.857 4.116 -0.259 1
1 32 . 10 1 1 A 9 9 VAL H H 429 7.813 8.612 -0.799 1
1 33 . 10 1 1 A 9 9 VAL HA H 429 4.322 3.862 0.460 1
1 41 . 10 1 1 A 10 10 PRO HA H 430 4.351 4.600 -0.249 1
1 48 . 10 1 1 A 11 11 VAL H H 431 8.213 7.703 0.510 1
1 49 . 10 1 1 A 11 11 VAL HA H 431 4.019 4.067 -0.048 1
1 54 . 10 1 1 A 12 12 THR H H 432 8.064 8.667 -0.603 1
1 55 . 10 1 1 A 12 12 THR HA H 432 4.222 4.479 -0.257 1
1 60 . 10 1 1 A 13 13 GLN H H 433 8.337 8.168 0.169 1
1 61 . 10 1 1 A 13 13 GLN HA H 433 4.333 3.897 0.436 1
1 68 . 10 1 1 A 14 14 THR H H 434 8.134 8.296 -0.162 1
1 69 . 10 1 1 A 14 14 THR HA H 434 4.198 4.397 -0.199 1
1 74 . 10 1 1 A 15 15 GLN H H 435 8.373 8.290 0.083 1
1 75 . 10 1 1 A 15 15 GLN HA H 435 4.332 3.997 0.335 1
1 82 . 10 1 1 A 16 16 THR H H 436 8.127 7.964 0.163 1
1 83 . 10 1 1 A 16 16 THR HA H 436 4.207 4.046 0.161 1
1 88 . 10 1 1 A 17 17 ALA H H 437 8.306 7.891 0.415 1
1 89 . 10 1 1 A 17 17 ALA HA H 437 4.239 3.973 0.266 1
1 93 . 10 1 1 A 18 18 GLY H H 438 8.285 8.857 -0.572 1
1 94 . 10 1 1 A 18 18 GLY HA2 H 438 3.839 3.890 -0.051 1
1 95 . 10 1 1 A 18 18 GLY HA3 H 438 3.839 3.890 -0.051 1
1 96 . 10 1 1 A 19 19 ALA H H 439 8.056 7.402 0.654 1
1 97 . 10 1 1 A 19 19 ALA HA H 439 4.227 4.597 -0.370 1
1 101 . 10 1 1 A 20 20 ASP H H 440 8.325 8.950 -0.625 1
1 102 . 10 1 1 A 20 20 ASP HA H 440 4.567 4.209 0.358 1
1 105 . 10 1 1 A 21 21 THR H H 441 8.067 8.086 -0.019 1
1 106 . 10 1 1 A 21 21 THR HA H 441 4.300 4.048 0.252 1
1 111 . 10 1 1 A 22 22 THR H H 442 8.131 8.223 -0.092 1
1 112 . 10 1 1 A 22 22 THR HA H 442 4.176 4.039 0.137 1
1 117 . 10 1 1 A 23 23 ALA H H 443 8.147 7.850 0.297 1
1 118 . 10 1 1 A 23 23 ALA HA H 443 4.179 3.952 0.227 1
1 122 . 10 1 1 A 24 24 GLU H H 444 8.193 8.594 -0.401 1
1 123 . 10 1 1 A 24 24 GLU HA H 444 4.206 4.815 -0.609 1
1 128 . 10 1 1 A 25 25 LYS H H 445 8.525 7.589 0.936 1
1 129 . 10 1 1 A 25 25 LYS HA H 445 4.088 3.966 0.122 1
1 138 . 10 1 1 A 26 26 CYS H H 446 8.624 7.879 0.745 1
1 139 . 10 1 1 A 26 26 CYS HA H 446 4.560 4.482 0.078 1
1 142 . 10 1 1 A 27 27 LYS H H 447 7.925 7.822 0.103 1
1 143 . 10 1 1 A 27 27 LYS HA H 447 4.019 3.905 0.114 1
1 152 . 10 1 1 A 28 28 GLY H H 448 8.873 8.927 -0.054 1
1 153 . 10 1 1 A 28 28 GLY HA2 H 448 4.094 4.016 0.078 1
1 154 . 10 1 1 A 28 28 GLY HA3 H 448 3.665 4.020 -0.355 1
1 155 . 10 1 1 A 29 29 LYS H H 449 7.462 7.692 -0.230 1
1 156 . 10 1 1 A 29 29 LYS HA H 449 4.220 4.381 -0.161 1
1 165 . 10 1 1 A 30 30 GLY H H 450 8.669 8.526 0.143 1
1 166 . 10 1 1 A 30 30 GLY HA2 H 450 4.212 4.065 0.147 1
1 167 . 10 1 1 A 30 30 GLY HA3 H 450 3.563 4.186 -0.623 1
1 168 . 10 1 1 A 31 31 GLU H H 451 7.724 8.550 -0.826 1
1 169 . 10 1 1 A 31 31 GLU HA H 451 1.968 2.047 -0.079 1
1 174 . 10 1 1 A 32 32 LYS H H 452 8.012 7.875 0.137 1
1 175 . 10 1 1 A 32 32 LYS HA H 452 3.712 3.898 -0.186 1
1 184 . 10 1 1 A 33 33 ASP H H 453 7.057 7.881 -0.824 1
1 185 . 10 1 1 A 33 33 ASP HA H 453 4.678 4.239 0.439 1
1 188 . 10 1 1 A 34 34 CYS H H 454 7.329 8.119 -0.790 1
1 189 . 10 1 1 A 34 34 CYS HA H 454 4.350 4.455 -0.105 1
1 192 . 10 1 1 A 35 35 LYS H H 455 7.892 8.975 -1.083 1
1 193 . 10 1 1 A 35 35 LYS HA H 455 4.457 4.494 -0.037 1
1 202 . 10 1 1 A 36 36 SER H H 456 8.470 9.107 -0.637 1
1 203 . 10 1 1 A 36 36 SER HA H 456 4.624 4.694 -0.070 1
1 206 . 10 1 1 A 37 37 PRO HA H 457 4.723 4.323 0.400 1
1 213 . 10 1 1 A 38 38 ASP H H 458 8.115 8.316 -0.201 1
1 214 . 10 1 1 A 38 38 ASP HA H 458 4.230 4.432 -0.202 1
1 217 . 10 1 1 A 39 39 CYS H H 459 7.993 8.715 -0.722 1
1 218 . 10 1 1 A 39 39 CYS HA H 459 5.259 5.045 0.214 1
1 221 . 10 1 1 A 40 40 LYS H H 460 9.018 8.464 0.554 1
1 222 . 10 1 1 A 40 40 LYS HA H 460 4.441 4.536 -0.095 1
1 231 . 10 1 1 A 41 41 TRP H H 461 8.511 9.010 -0.499 1
1 232 . 10 1 1 A 41 41 TRP HA H 461 5.205 4.951 0.254 1
1 241 . 10 1 1 A 42 42 GLU H H 462 8.310 8.354 -0.044 1
1 242 . 10 1 1 A 42 42 GLU HA H 462 4.308 4.517 -0.209 1
1 247 . 10 1 1 A 43 43 GLY H H 463 8.730 9.188 -0.458 1
1 248 . 10 1 1 A 43 43 GLY HA2 H 463 3.569 3.715 -0.146 1
1 249 . 10 1 1 A 43 43 GLY HA3 H 463 3.569 3.756 -0.187 1
1 250 . 10 1 1 A 44 44 GLY H H 464 7.730 8.452 -0.722 1
1 251 . 10 1 1 A 44 44 GLY HA2 H 464 3.713 3.878 -0.165 1
1 252 . 10 1 1 A 44 44 GLY HA3 H 464 3.139 3.935 -0.796 1
1 253 . 10 1 1 A 45 45 THR H H 465 6.343 6.702 -0.359 1
1 254 . 10 1 1 A 45 45 THR HA H 465 3.821 4.206 -0.385 1
1 259 . 10 1 1 A 46 46 CYS H H 466 8.406 8.677 -0.271 1
1 260 . 10 1 1 A 46 46 CYS HA H 466 5.281 5.157 0.124 1
1 263 . 10 1 1 A 47 47 LYS H H 467 9.363 8.514 0.849 1
1 264 . 10 1 1 A 47 47 LYS HA H 467 4.547 5.002 -0.455 1
1 1 . 11 1 1 A 3 3 LYS H H 423 8.388 8.360 0.028 1
1 2 . 11 1 1 A 3 3 LYS HA H 423 4.225 4.652 -0.427 1
1 11 . 11 1 1 A 5 5 SER H H 425 8.220 7.912 0.308 1
1 12 . 11 1 1 A 5 5 SER HA H 425 4.336 4.230 0.106 1
1 15 . 11 1 1 A 6 6 LYS H H 426 8.327 8.837 -0.510 1
1 16 . 11 1 1 A 6 6 LYS HA H 426 4.269 3.891 0.378 1
1 25 . 11 1 1 A 7 7 SER H H 427 8.235 8.151 0.084 1
1 26 . 11 1 1 A 7 7 SER HA H 427 4.343 4.176 0.167 1
1 29 . 11 1 1 A 8 8 GLY H H 428 8.297 8.242 0.055 1
1 30 . 11 1 1 A 8 8 GLY HA2 H 428 3.857 3.896 -0.039 1
1 31 . 11 1 1 A 8 8 GLY HA3 H 428 3.857 3.897 -0.040 1
1 32 . 11 1 1 A 9 9 VAL H H 429 7.813 7.586 0.227 1
1 33 . 11 1 1 A 9 9 VAL HA H 429 4.322 4.486 -0.164 1
1 41 . 11 1 1 A 10 10 PRO HA H 430 4.351 4.714 -0.363 1
1 48 . 11 1 1 A 11 11 VAL H H 431 8.213 8.235 -0.022 1
1 49 . 11 1 1 A 11 11 VAL HA H 431 4.019 4.134 -0.115 1
1 54 . 11 1 1 A 12 12 THR H H 432 8.064 7.560 0.504 1
1 55 . 11 1 1 A 12 12 THR HA H 432 4.222 4.344 -0.122 1
1 60 . 11 1 1 A 13 13 GLN H H 433 8.337 8.589 -0.252 1
1 61 . 11 1 1 A 13 13 GLN HA H 433 4.333 4.265 0.068 1
1 68 . 11 1 1 A 14 14 THR H H 434 8.134 8.763 -0.629 1
1 69 . 11 1 1 A 14 14 THR HA H 434 4.198 4.069 0.129 1
1 74 . 11 1 1 A 15 15 GLN H H 435 8.373 7.624 0.749 1
1 75 . 11 1 1 A 15 15 GLN HA H 435 4.332 4.636 -0.304 1
1 82 . 11 1 1 A 16 16 THR H H 436 8.127 8.627 -0.500 1
1 83 . 11 1 1 A 16 16 THR HA H 436 4.207 4.467 -0.260 1
1 88 . 11 1 1 A 17 17 ALA H H 437 8.306 8.602 -0.296 1
1 89 . 11 1 1 A 17 17 ALA HA H 437 4.239 4.571 -0.332 1
1 93 . 11 1 1 A 18 18 GLY H H 438 8.285 8.728 -0.443 1
1 94 . 11 1 1 A 18 18 GLY HA2 H 438 3.839 3.957 -0.118 1
1 95 . 11 1 1 A 18 18 GLY HA3 H 438 3.839 3.957 -0.118 1
1 96 . 11 1 1 A 19 19 ALA H H 439 8.056 8.086 -0.030 1
1 97 . 11 1 1 A 19 19 ALA HA H 439 4.227 4.125 0.102 1
1 101 . 11 1 1 A 20 20 ASP H H 440 8.325 8.254 0.071 1
1 102 . 11 1 1 A 20 20 ASP HA H 440 4.567 4.258 0.309 1
1 105 . 11 1 1 A 21 21 THR H H 441 8.067 7.582 0.485 1
1 106 . 11 1 1 A 21 21 THR HA H 441 4.300 4.870 -0.570 1
1 111 . 11 1 1 A 22 22 THR H H 442 8.131 8.951 -0.820 1
1 112 . 11 1 1 A 22 22 THR HA H 442 4.176 4.236 -0.060 1
1 117 . 11 1 1 A 23 23 ALA H H 443 8.147 8.695 -0.548 1
1 118 . 11 1 1 A 23 23 ALA HA H 443 4.179 4.274 -0.095 1
1 122 . 11 1 1 A 24 24 GLU H H 444 8.193 7.639 0.554 1
1 123 . 11 1 1 A 24 24 GLU HA H 444 4.206 4.072 0.134 1
1 128 . 11 1 1 A 25 25 LYS H H 445 8.525 8.766 -0.241 1
1 129 . 11 1 1 A 25 25 LYS HA H 445 4.088 4.320 -0.232 1
1 138 . 11 1 1 A 26 26 CYS H H 446 8.624 8.436 0.188 1
1 139 . 11 1 1 A 26 26 CYS HA H 446 4.560 4.789 -0.229 1
1 142 . 11 1 1 A 27 27 LYS H H 447 7.925 7.631 0.294 1
1 143 . 11 1 1 A 27 27 LYS HA H 447 4.019 4.059 -0.040 1
1 152 . 11 1 1 A 28 28 GLY H H 448 8.873 9.104 -0.231 1
1 153 . 11 1 1 A 28 28 GLY HA2 H 448 4.094 3.856 0.238 1
1 154 . 11 1 1 A 28 28 GLY HA3 H 448 3.665 3.885 -0.220 1
1 155 . 11 1 1 A 29 29 LYS H H 449 7.462 7.971 -0.509 1
1 156 . 11 1 1 A 29 29 LYS HA H 449 4.220 4.778 -0.558 1
1 165 . 11 1 1 A 30 30 GLY H H 450 8.669 8.710 -0.041 1
1 166 . 11 1 1 A 30 30 GLY HA2 H 450 4.212 4.169 0.043 1
1 167 . 11 1 1 A 30 30 GLY HA3 H 450 3.563 4.304 -0.741 1
1 168 . 11 1 1 A 31 31 GLU H H 451 7.724 8.776 -1.052 1
1 169 . 11 1 1 A 31 31 GLU HA H 451 1.968 3.304 -1.336 1
1 174 . 11 1 1 A 32 32 LYS H H 452 8.012 7.668 0.344 1
1 175 . 11 1 1 A 32 32 LYS HA H 452 3.712 4.053 -0.341 1
1 184 . 11 1 1 A 33 33 ASP H H 453 7.057 8.074 -1.017 1
1 185 . 11 1 1 A 33 33 ASP HA H 453 4.678 4.350 0.328 1
1 188 . 11 1 1 A 34 34 CYS H H 454 7.329 8.348 -1.019 1
1 189 . 11 1 1 A 34 34 CYS HA H 454 4.350 4.607 -0.257 1
1 192 . 11 1 1 A 35 35 LYS H H 455 7.892 7.896 -0.004 1
1 193 . 11 1 1 A 35 35 LYS HA H 455 4.457 5.123 -0.666 1
1 202 . 11 1 1 A 36 36 SER H H 456 8.470 8.451 0.019 1
1 203 . 11 1 1 A 36 36 SER HA H 456 4.624 4.934 -0.310 1
1 206 . 11 1 1 A 37 37 PRO HA H 457 4.723 4.487 0.236 1
1 213 . 11 1 1 A 38 38 ASP H H 458 8.115 8.448 -0.333 1
1 214 . 11 1 1 A 38 38 ASP HA H 458 4.230 4.887 -0.657 1
1 217 . 11 1 1 A 39 39 CYS H H 459 7.993 7.648 0.345 1
1 218 . 11 1 1 A 39 39 CYS HA H 459 5.259 4.593 0.666 1
1 221 . 11 1 1 A 40 40 LYS H H 460 9.018 8.561 0.457 1
1 222 . 11 1 1 A 40 40 LYS HA H 460 4.441 5.108 -0.667 1
1 231 . 11 1 1 A 41 41 TRP H H 461 8.511 8.902 -0.391 1
1 232 . 11 1 1 A 41 41 TRP HA H 461 5.205 5.331 -0.126 1
1 241 . 11 1 1 A 42 42 GLU H H 462 8.310 8.697 -0.387 1
1 242 . 11 1 1 A 42 42 GLU HA H 462 4.308 4.531 -0.223 1
1 247 . 11 1 1 A 43 43 GLY H H 463 8.730 9.338 -0.608 1
1 248 . 11 1 1 A 43 43 GLY HA2 H 463 3.569 3.728 -0.159 1
1 249 . 11 1 1 A 43 43 GLY HA3 H 463 3.569 3.764 -0.195 1
1 250 . 11 1 1 A 44 44 GLY H H 464 7.730 8.483 -0.753 1
1 251 . 11 1 1 A 44 44 GLY HA2 H 464 3.713 3.875 -0.162 1
1 252 . 11 1 1 A 44 44 GLY HA3 H 464 3.139 3.932 -0.793 1
1 253 . 11 1 1 A 45 45 THR H H 465 6.343 6.562 -0.219 1
1 254 . 11 1 1 A 45 45 THR HA H 465 3.821 3.904 -0.083 1
1 259 . 11 1 1 A 46 46 CYS H H 466 8.406 8.518 -0.112 1
1 260 . 11 1 1 A 46 46 CYS HA H 466 5.281 5.707 -0.426 1
1 263 . 11 1 1 A 47 47 LYS H H 467 9.363 8.804 0.559 1
1 264 . 11 1 1 A 47 47 LYS HA H 467 4.547 5.011 -0.464 1
1 1 . 12 1 1 A 3 3 LYS H H 423 8.388 7.397 0.991 1
1 2 . 12 1 1 A 3 3 LYS HA H 423 4.225 4.728 -0.503 1
1 11 . 12 1 1 A 5 5 SER H H 425 8.220 7.913 0.307 1
1 12 . 12 1 1 A 5 5 SER HA H 425 4.336 4.762 -0.426 1
1 15 . 12 1 1 A 6 6 LYS H H 426 8.327 8.190 0.137 1
1 16 . 12 1 1 A 6 6 LYS HA H 426 4.269 4.172 0.097 1
1 25 . 12 1 1 A 7 7 SER H H 427 8.235 7.807 0.428 1
1 26 . 12 1 1 A 7 7 SER HA H 427 4.343 4.625 -0.282 1
1 29 . 12 1 1 A 8 8 GLY H H 428 8.297 8.929 -0.632 1
1 30 . 12 1 1 A 8 8 GLY HA2 H 428 3.857 3.870 -0.013 1
1 31 . 12 1 1 A 8 8 GLY HA3 H 428 3.857 3.870 -0.013 1
1 32 . 12 1 1 A 9 9 VAL H H 429 7.813 8.280 -0.467 1
1 33 . 12 1 1 A 9 9 VAL HA H 429 4.322 4.227 0.095 1
1 41 . 12 1 1 A 10 10 PRO HA H 430 4.351 4.572 -0.221 1
1 48 . 12 1 1 A 11 11 VAL H H 431 8.213 8.003 0.210 1
1 49 . 12 1 1 A 11 11 VAL HA H 431 4.019 3.797 0.222 1
1 54 . 12 1 1 A 12 12 THR H H 432 8.064 7.978 0.086 1
1 55 . 12 1 1 A 12 12 THR HA H 432 4.222 4.180 0.042 1
1 60 . 12 1 1 A 13 13 GLN H H 433 8.337 8.816 -0.479 1
1 61 . 12 1 1 A 13 13 GLN HA H 433 4.333 4.541 -0.208 1
1 68 . 12 1 1 A 14 14 THR H H 434 8.134 7.866 0.268 1
1 69 . 12 1 1 A 14 14 THR HA H 434 4.198 4.349 -0.151 1
1 74 . 12 1 1 A 15 15 GLN H H 435 8.373 7.741 0.632 1
1 75 . 12 1 1 A 15 15 GLN HA H 435 4.332 4.769 -0.437 1
1 82 . 12 1 1 A 16 16 THR H H 436 8.127 8.738 -0.611 1
1 83 . 12 1 1 A 16 16 THR HA H 436 4.207 4.810 -0.603 1
1 88 . 12 1 1 A 17 17 ALA H H 437 8.306 9.141 -0.835 1
1 89 . 12 1 1 A 17 17 ALA HA H 437 4.239 4.052 0.187 1
1 93 . 12 1 1 A 18 18 GLY H H 438 8.285 8.678 -0.393 1
1 94 . 12 1 1 A 18 18 GLY HA2 H 438 3.839 3.929 -0.090 1
1 95 . 12 1 1 A 18 18 GLY HA3 H 438 3.839 3.930 -0.091 1
1 96 . 12 1 1 A 19 19 ALA H H 439 8.056 7.998 0.058 1
1 97 . 12 1 1 A 19 19 ALA HA H 439 4.227 4.299 -0.072 1
1 101 . 12 1 1 A 20 20 ASP H H 440 8.325 8.574 -0.249 1
1 102 . 12 1 1 A 20 20 ASP HA H 440 4.567 4.602 -0.035 1
1 105 . 12 1 1 A 21 21 THR H H 441 8.067 8.561 -0.494 1
1 106 . 12 1 1 A 21 21 THR HA H 441 4.300 4.555 -0.255 1
1 111 . 12 1 1 A 22 22 THR H H 442 8.131 8.687 -0.556 1
1 112 . 12 1 1 A 22 22 THR HA H 442 4.176 4.564 -0.388 1
1 117 . 12 1 1 A 23 23 ALA H H 443 8.147 7.996 0.151 1
1 118 . 12 1 1 A 23 23 ALA HA H 443 4.179 3.988 0.191 1
1 122 . 12 1 1 A 24 24 GLU H H 444 8.193 8.460 -0.267 1
1 123 . 12 1 1 A 24 24 GLU HA H 444 4.206 3.976 0.230 1
1 128 . 12 1 1 A 25 25 LYS H H 445 8.525 7.769 0.756 1
1 129 . 12 1 1 A 25 25 LYS HA H 445 4.088 4.030 0.058 1
1 138 . 12 1 1 A 26 26 CYS H H 446 8.624 7.987 0.637 1
1 139 . 12 1 1 A 26 26 CYS HA H 446 4.560 4.809 -0.249 1
1 142 . 12 1 1 A 27 27 LYS H H 447 7.925 7.676 0.249 1
1 143 . 12 1 1 A 27 27 LYS HA H 447 4.019 3.907 0.112 1
1 152 . 12 1 1 A 28 28 GLY H H 448 8.873 8.853 0.020 1
1 153 . 12 1 1 A 28 28 GLY HA2 H 448 4.094 3.895 0.199 1
1 154 . 12 1 1 A 28 28 GLY HA3 H 448 3.665 3.904 -0.239 1
1 155 . 12 1 1 A 29 29 LYS H H 449 7.462 7.629 -0.167 1
1 156 . 12 1 1 A 29 29 LYS HA H 449 4.220 4.654 -0.434 1
1 165 . 12 1 1 A 30 30 GLY H H 450 8.669 8.568 0.101 1
1 166 . 12 1 1 A 30 30 GLY HA2 H 450 4.212 4.086 0.126 1
1 167 . 12 1 1 A 30 30 GLY HA3 H 450 3.563 4.209 -0.646 1
1 168 . 12 1 1 A 31 31 GLU H H 451 7.724 8.646 -0.922 1
1 169 . 12 1 1 A 31 31 GLU HA H 451 1.968 2.348 -0.380 1
1 174 . 12 1 1 A 32 32 LYS H H 452 8.012 7.812 0.200 1
1 175 . 12 1 1 A 32 32 LYS HA H 452 3.712 3.974 -0.262 1
1 184 . 12 1 1 A 33 33 ASP H H 453 7.057 8.001 -0.944 1
1 185 . 12 1 1 A 33 33 ASP HA H 453 4.678 4.251 0.427 1
1 188 . 12 1 1 A 34 34 CYS H H 454 7.329 8.006 -0.677 1
1 189 . 12 1 1 A 34 34 CYS HA H 454 4.350 4.455 -0.105 1
1 192 . 12 1 1 A 35 35 LYS H H 455 7.892 8.390 -0.498 1
1 193 . 12 1 1 A 35 35 LYS HA H 455 4.457 4.873 -0.416 1
1 202 . 12 1 1 A 36 36 SER H H 456 8.470 9.182 -0.712 1
1 203 . 12 1 1 A 36 36 SER HA H 456 4.624 4.652 -0.028 1
1 206 . 12 1 1 A 37 37 PRO HA H 457 4.723 4.334 0.389 1
1 213 . 12 1 1 A 38 38 ASP H H 458 8.115 8.075 0.040 1
1 214 . 12 1 1 A 38 38 ASP HA H 458 4.230 4.500 -0.270 1
1 217 . 12 1 1 A 39 39 CYS H H 459 7.993 8.401 -0.408 1
1 218 . 12 1 1 A 39 39 CYS HA H 459 5.259 5.001 0.258 1
1 221 . 12 1 1 A 40 40 LYS H H 460 9.018 8.953 0.065 1
1 222 . 12 1 1 A 40 40 LYS HA H 460 4.441 4.808 -0.367 1
1 231 . 12 1 1 A 41 41 TRP H H 461 8.511 9.007 -0.496 1
1 232 . 12 1 1 A 41 41 TRP HA H 461 5.205 4.807 0.398 1
1 241 . 12 1 1 A 42 42 GLU H H 462 8.310 8.754 -0.444 1
1 242 . 12 1 1 A 42 42 GLU HA H 462 4.308 4.111 0.197 1
1 247 . 12 1 1 A 43 43 GLY H H 463 8.730 6.656 2.074 1
1 248 . 12 1 1 A 43 43 GLY HA2 H 463 3.569 3.856 -0.287 1
1 249 . 12 1 1 A 43 43 GLY HA3 H 463 3.569 3.917 -0.348 1
1 250 . 12 1 1 A 44 44 GLY H H 464 7.730 7.835 -0.105 1
1 251 . 12 1 1 A 44 44 GLY HA2 H 464 3.713 3.960 -0.247 1
1 252 . 12 1 1 A 44 44 GLY HA3 H 464 3.139 4.043 -0.904 1
1 253 . 12 1 1 A 45 45 THR H H 465 6.343 7.149 -0.806 1
1 254 . 12 1 1 A 45 45 THR HA H 465 3.821 4.665 -0.844 1
1 259 . 12 1 1 A 46 46 CYS H H 466 8.406 9.007 -0.601 1
1 260 . 12 1 1 A 46 46 CYS HA H 466 5.281 5.169 0.112 1
1 263 . 12 1 1 A 47 47 LYS H H 467 9.363 9.307 0.056 1
1 264 . 12 1 1 A 47 47 LYS HA H 467 4.547 4.687 -0.140 1
1 1 . 13 1 1 A 3 3 LYS H H 423 8.388 7.657 0.731 1
1 2 . 13 1 1 A 3 3 LYS HA H 423 4.225 4.467 -0.242 1
1 11 . 13 1 1 A 5 5 SER H H 425 8.220 8.063 0.157 1
1 12 . 13 1 1 A 5 5 SER HA H 425 4.336 4.725 -0.389 1
1 15 . 13 1 1 A 6 6 LYS H H 426 8.327 8.452 -0.125 1
1 16 . 13 1 1 A 6 6 LYS HA H 426 4.269 4.047 0.222 1
1 25 . 13 1 1 A 7 7 SER H H 427 8.235 7.791 0.444 1
1 26 . 13 1 1 A 7 7 SER HA H 427 4.343 4.478 -0.135 1
1 29 . 13 1 1 A 8 8 GLY H H 428 8.297 8.448 -0.151 1
1 30 . 13 1 1 A 8 8 GLY HA2 H 428 3.857 4.097 -0.240 1
1 31 . 13 1 1 A 8 8 GLY HA3 H 428 3.857 4.098 -0.241 1
1 32 . 13 1 1 A 9 9 VAL H H 429 7.813 7.983 -0.170 1
1 33 . 13 1 1 A 9 9 VAL HA H 429 4.322 4.273 0.049 1
1 41 . 13 1 1 A 10 10 PRO HA H 430 4.351 4.641 -0.290 1
1 48 . 13 1 1 A 11 11 VAL H H 431 8.213 8.202 0.011 1
1 49 . 13 1 1 A 11 11 VAL HA H 431 4.019 4.199 -0.180 1
1 54 . 13 1 1 A 12 12 THR H H 432 8.064 7.377 0.687 1
1 55 . 13 1 1 A 12 12 THR HA H 432 4.222 4.147 0.075 1
1 60 . 13 1 1 A 13 13 GLN H H 433 8.337 8.916 -0.579 1
1 61 . 13 1 1 A 13 13 GLN HA H 433 4.333 4.414 -0.081 1
1 68 . 13 1 1 A 14 14 THR H H 434 8.134 8.570 -0.436 1
1 69 . 13 1 1 A 14 14 THR HA H 434 4.198 4.533 -0.335 1
1 74 . 13 1 1 A 15 15 GLN H H 435 8.373 8.278 0.095 1
1 75 . 13 1 1 A 15 15 GLN HA H 435 4.332 4.418 -0.086 1
1 82 . 13 1 1 A 16 16 THR H H 436 8.127 7.583 0.544 1
1 83 . 13 1 1 A 16 16 THR HA H 436 4.207 4.660 -0.453 1
1 88 . 13 1 1 A 17 17 ALA H H 437 8.306 7.523 0.783 1
1 89 . 13 1 1 A 17 17 ALA HA H 437 4.239 4.295 -0.056 1
1 93 . 13 1 1 A 18 18 GLY H H 438 8.285 8.687 -0.402 1
1 94 . 13 1 1 A 18 18 GLY HA2 H 438 3.839 3.839 0.000 1
1 95 . 13 1 1 A 18 18 GLY HA3 H 438 3.839 3.839 0.000 1
1 96 . 13 1 1 A 19 19 ALA H H 439 8.056 7.448 0.608 1
1 97 . 13 1 1 A 19 19 ALA HA H 439 4.227 4.418 -0.191 1
1 101 . 13 1 1 A 20 20 ASP H H 440 8.325 8.090 0.235 1
1 102 . 13 1 1 A 20 20 ASP HA H 440 4.567 4.413 0.154 1
1 105 . 13 1 1 A 21 21 THR H H 441 8.067 7.819 0.248 1
1 106 . 13 1 1 A 21 21 THR HA H 441 4.300 4.112 0.188 1
1 111 . 13 1 1 A 22 22 THR H H 442 8.131 7.739 0.392 1
1 112 . 13 1 1 A 22 22 THR HA H 442 4.176 4.845 -0.669 1
1 117 . 13 1 1 A 23 23 ALA H H 443 8.147 8.820 -0.673 1
1 118 . 13 1 1 A 23 23 ALA HA H 443 4.179 3.971 0.208 1
1 122 . 13 1 1 A 24 24 GLU H H 444 8.193 7.938 0.255 1
1 123 . 13 1 1 A 24 24 GLU HA H 444 4.206 4.715 -0.509 1
1 128 . 13 1 1 A 25 25 LYS H H 445 8.525 8.441 0.084 1
1 129 . 13 1 1 A 25 25 LYS HA H 445 4.088 4.121 -0.033 1
1 138 . 13 1 1 A 26 26 CYS H H 446 8.624 7.796 0.828 1
1 139 . 13 1 1 A 26 26 CYS HA H 446 4.560 4.509 0.051 1
1 142 . 13 1 1 A 27 27 LYS H H 447 7.925 7.487 0.438 1
1 143 . 13 1 1 A 27 27 LYS HA H 447 4.019 4.156 -0.137 1
1 152 . 13 1 1 A 28 28 GLY H H 448 8.873 9.126 -0.253 1
1 153 . 13 1 1 A 28 28 GLY HA2 H 448 4.094 3.963 0.131 1
1 154 . 13 1 1 A 28 28 GLY HA3 H 448 3.665 3.993 -0.328 1
1 155 . 13 1 1 A 29 29 LYS H H 449 7.462 8.111 -0.649 1
1 156 . 13 1 1 A 29 29 LYS HA H 449 4.220 4.320 -0.100 1
1 165 . 13 1 1 A 30 30 GLY H H 450 8.669 8.001 0.668 1
1 166 . 13 1 1 A 30 30 GLY HA2 H 450 4.212 4.111 0.101 1
1 167 . 13 1 1 A 30 30 GLY HA3 H 450 3.563 4.255 -0.692 1
1 168 . 13 1 1 A 31 31 GLU H H 451 7.724 8.528 -0.804 1
1 169 . 13 1 1 A 31 31 GLU HA H 451 1.968 2.513 -0.545 1
1 174 . 13 1 1 A 32 32 LYS H H 452 8.012 8.041 -0.029 1
1 175 . 13 1 1 A 32 32 LYS HA H 452 3.712 4.211 -0.499 1
1 184 . 13 1 1 A 33 33 ASP H H 453 7.057 8.228 -1.171 1
1 185 . 13 1 1 A 33 33 ASP HA H 453 4.678 4.789 -0.111 1
1 188 . 13 1 1 A 34 34 CYS H H 454 7.329 8.067 -0.738 1
1 189 . 13 1 1 A 34 34 CYS HA H 454 4.350 4.584 -0.234 1
1 192 . 13 1 1 A 35 35 LYS H H 455 7.892 7.989 -0.097 1
1 193 . 13 1 1 A 35 35 LYS HA H 455 4.457 4.251 0.206 1
1 202 . 13 1 1 A 36 36 SER H H 456 8.470 8.915 -0.445 1
1 203 . 13 1 1 A 36 36 SER HA H 456 4.624 4.480 0.144 1
1 206 . 13 1 1 A 37 37 PRO HA H 457 4.723 4.325 0.398 1
1 213 . 13 1 1 A 38 38 ASP H H 458 8.115 8.034 0.081 1
1 214 . 13 1 1 A 38 38 ASP HA H 458 4.230 4.456 -0.226 1
1 217 . 13 1 1 A 39 39 CYS H H 459 7.993 8.539 -0.546 1
1 218 . 13 1 1 A 39 39 CYS HA H 459 5.259 4.964 0.295 1
1 221 . 13 1 1 A 40 40 LYS H H 460 9.018 8.264 0.754 1
1 222 . 13 1 1 A 40 40 LYS HA H 460 4.441 4.608 -0.167 1
1 231 . 13 1 1 A 41 41 TRP H H 461 8.511 8.940 -0.429 1
1 232 . 13 1 1 A 41 41 TRP HA H 461 5.205 4.936 0.269 1
1 241 . 13 1 1 A 42 42 GLU H H 462 8.310 9.051 -0.741 1
1 242 . 13 1 1 A 42 42 GLU HA H 462 4.308 4.383 -0.075 1
1 247 . 13 1 1 A 43 43 GLY H H 463 8.730 8.140 0.590 1
1 248 . 13 1 1 A 43 43 GLY HA2 H 463 3.569 3.839 -0.270 1
1 249 . 13 1 1 A 43 43 GLY HA3 H 463 3.569 3.961 -0.392 1
1 250 . 13 1 1 A 44 44 GLY H H 464 7.730 7.369 0.361 1
1 251 . 13 1 1 A 44 44 GLY HA2 H 464 3.713 3.879 -0.166 1
1 252 . 13 1 1 A 44 44 GLY HA3 H 464 3.139 4.030 -0.891 1
1 253 . 13 1 1 A 45 45 THR H H 465 6.343 7.378 -1.035 1
1 254 . 13 1 1 A 45 45 THR HA H 465 3.821 4.084 -0.263 1
1 259 . 13 1 1 A 46 46 CYS H H 466 8.406 8.802 -0.396 1
1 260 . 13 1 1 A 46 46 CYS HA H 466 5.281 5.052 0.229 1
1 263 . 13 1 1 A 47 47 LYS H H 467 9.363 9.212 0.151 1
1 264 . 13 1 1 A 47 47 LYS HA H 467 4.547 5.001 -0.454 1
1 1 . 14 1 1 A 3 3 LYS H H 423 8.388 8.447 -0.059 1
1 2 . 14 1 1 A 3 3 LYS HA H 423 4.225 4.632 -0.407 1
1 11 . 14 1 1 A 5 5 SER H H 425 8.220 8.993 -0.773 1
1 12 . 14 1 1 A 5 5 SER HA H 425 4.336 4.351 -0.015 1
1 15 . 14 1 1 A 6 6 LYS H H 426 8.327 9.059 -0.732 1
1 16 . 14 1 1 A 6 6 LYS HA H 426 4.269 4.069 0.200 1
1 25 . 14 1 1 A 7 7 SER H H 427 8.235 8.084 0.151 1
1 26 . 14 1 1 A 7 7 SER HA H 427 4.343 4.362 -0.019 1
1 29 . 14 1 1 A 8 8 GLY H H 428 8.297 8.504 -0.207 1
1 30 . 14 1 1 A 8 8 GLY HA2 H 428 3.857 4.113 -0.256 1
1 31 . 14 1 1 A 8 8 GLY HA3 H 428 3.857 4.113 -0.256 1
1 32 . 14 1 1 A 9 9 VAL H H 429 7.813 8.570 -0.757 1
1 33 . 14 1 1 A 9 9 VAL HA H 429 4.322 4.353 -0.031 1
1 41 . 14 1 1 A 10 10 PRO HA H 430 4.351 4.785 -0.434 1
1 48 . 14 1 1 A 11 11 VAL H H 431 8.213 8.660 -0.447 1
1 49 . 14 1 1 A 11 11 VAL HA H 431 4.019 4.597 -0.578 1
1 54 . 14 1 1 A 12 12 THR H H 432 8.064 8.642 -0.578 1
1 55 . 14 1 1 A 12 12 THR HA H 432 4.222 4.188 0.034 1
1 60 . 14 1 1 A 13 13 GLN H H 433 8.337 7.839 0.498 1
1 61 . 14 1 1 A 13 13 GLN HA H 433 4.333 4.772 -0.439 1
1 68 . 14 1 1 A 14 14 THR H H 434 8.134 8.495 -0.361 1
1 69 . 14 1 1 A 14 14 THR HA H 434 4.198 4.453 -0.255 1
1 74 . 14 1 1 A 15 15 GLN H H 435 8.373 8.831 -0.458 1
1 75 . 14 1 1 A 15 15 GLN HA H 435 4.332 4.162 0.170 1
1 82 . 14 1 1 A 16 16 THR H H 436 8.127 8.864 -0.737 1
1 83 . 14 1 1 A 16 16 THR HA H 436 4.207 4.822 -0.615 1
1 88 . 14 1 1 A 17 17 ALA H H 437 8.306 8.741 -0.435 1
1 89 . 14 1 1 A 17 17 ALA HA H 437 4.239 5.106 -0.867 1
1 93 . 14 1 1 A 18 18 GLY H H 438 8.285 8.334 -0.049 1
1 94 . 14 1 1 A 18 18 GLY HA2 H 438 3.839 4.200 -0.361 1
1 95 . 14 1 1 A 18 18 GLY HA3 H 438 3.839 4.200 -0.361 1
1 96 . 14 1 1 A 19 19 ALA H H 439 8.056 8.997 -0.941 1
1 97 . 14 1 1 A 19 19 ALA HA H 439 4.227 4.030 0.197 1
1 101 . 14 1 1 A 20 20 ASP H H 440 8.325 7.963 0.362 1
1 102 . 14 1 1 A 20 20 ASP HA H 440 4.567 4.321 0.246 1
1 105 . 14 1 1 A 21 21 THR H H 441 8.067 8.120 -0.053 1
1 106 . 14 1 1 A 21 21 THR HA H 441 4.300 4.212 0.088 1
1 111 . 14 1 1 A 22 22 THR H H 442 8.131 7.436 0.695 1
1 112 . 14 1 1 A 22 22 THR HA H 442 4.176 4.504 -0.328 1
1 117 . 14 1 1 A 23 23 ALA H H 443 8.147 8.173 -0.026 1
1 118 . 14 1 1 A 23 23 ALA HA H 443 4.179 4.428 -0.249 1
1 122 . 14 1 1 A 24 24 GLU H H 444 8.193 8.082 0.111 1
1 123 . 14 1 1 A 24 24 GLU HA H 444 4.206 3.995 0.211 1
1 128 . 14 1 1 A 25 25 LYS H H 445 8.525 7.697 0.828 1
1 129 . 14 1 1 A 25 25 LYS HA H 445 4.088 3.829 0.259 1
1 138 . 14 1 1 A 26 26 CYS H H 446 8.624 7.932 0.692 1
1 139 . 14 1 1 A 26 26 CYS HA H 446 4.560 4.352 0.208 1
1 142 . 14 1 1 A 27 27 LYS H H 447 7.925 8.145 -0.220 1
1 143 . 14 1 1 A 27 27 LYS HA H 447 4.019 3.970 0.049 1
1 152 . 14 1 1 A 28 28 GLY H H 448 8.873 8.834 0.039 1
1 153 . 14 1 1 A 28 28 GLY HA2 H 448 4.094 3.895 0.199 1
1 154 . 14 1 1 A 28 28 GLY HA3 H 448 3.665 3.909 -0.244 1
1 155 . 14 1 1 A 29 29 LYS H H 449 7.462 7.444 0.018 1
1 156 . 14 1 1 A 29 29 LYS HA H 449 4.220 4.470 -0.250 1
1 165 . 14 1 1 A 30 30 GLY H H 450 8.669 8.555 0.114 1
1 166 . 14 1 1 A 30 30 GLY HA2 H 450 4.212 4.144 0.068 1
1 167 . 14 1 1 A 30 30 GLY HA3 H 450 3.563 4.313 -0.750 1
1 168 . 14 1 1 A 31 31 GLU H H 451 7.724 8.803 -1.079 1
1 169 . 14 1 1 A 31 31 GLU HA H 451 1.968 3.199 -1.231 1
1 174 . 14 1 1 A 32 32 LYS H H 452 8.012 7.780 0.232 1
1 175 . 14 1 1 A 32 32 LYS HA H 452 3.712 3.996 -0.284 1
1 184 . 14 1 1 A 33 33 ASP H H 453 7.057 7.557 -0.500 1
1 185 . 14 1 1 A 33 33 ASP HA H 453 4.678 4.477 0.201 1
1 188 . 14 1 1 A 34 34 CYS H H 454 7.329 8.458 -1.129 1
1 189 . 14 1 1 A 34 34 CYS HA H 454 4.350 4.593 -0.243 1
1 192 . 14 1 1 A 35 35 LYS H H 455 7.892 8.921 -1.029 1
1 193 . 14 1 1 A 35 35 LYS HA H 455 4.457 4.403 0.054 1
1 202 . 14 1 1 A 36 36 SER H H 456 8.470 8.997 -0.527 1
1 203 . 14 1 1 A 36 36 SER HA H 456 4.624 4.654 -0.030 1
1 206 . 14 1 1 A 37 37 PRO HA H 457 4.723 4.301 0.422 1
1 213 . 14 1 1 A 38 38 ASP H H 458 8.115 8.244 -0.129 1
1 214 . 14 1 1 A 38 38 ASP HA H 458 4.230 4.434 -0.204 1
1 217 . 14 1 1 A 39 39 CYS H H 459 7.993 8.230 -0.237 1
1 218 . 14 1 1 A 39 39 CYS HA H 459 5.259 5.054 0.205 1
1 221 . 14 1 1 A 40 40 LYS H H 460 9.018 8.384 0.634 1
1 222 . 14 1 1 A 40 40 LYS HA H 460 4.441 4.592 -0.151 1
1 231 . 14 1 1 A 41 41 TRP H H 461 8.511 8.782 -0.271 1
1 232 . 14 1 1 A 41 41 TRP HA H 461 5.205 5.366 -0.161 1
1 241 . 14 1 1 A 42 42 GLU H H 462 8.310 8.318 -0.008 1
1 242 . 14 1 1 A 42 42 GLU HA H 462 4.308 4.496 -0.188 1
1 247 . 14 1 1 A 43 43 GLY H H 463 8.730 8.807 -0.077 1
1 248 . 14 1 1 A 43 43 GLY HA2 H 463 3.569 3.853 -0.284 1
1 249 . 14 1 1 A 43 43 GLY HA3 H 463 3.569 3.933 -0.364 1
1 250 . 14 1 1 A 44 44 GLY H H 464 7.730 7.963 -0.233 1
1 251 . 14 1 1 A 44 44 GLY HA2 H 464 3.713 3.992 -0.279 1
1 252 . 14 1 1 A 44 44 GLY HA3 H 464 3.139 4.041 -0.902 1
1 253 . 14 1 1 A 45 45 THR H H 465 6.343 6.803 -0.460 1
1 254 . 14 1 1 A 45 45 THR HA H 465 3.821 4.487 -0.666 1
1 259 . 14 1 1 A 46 46 CYS H H 466 8.406 8.905 -0.499 1
1 260 . 14 1 1 A 46 46 CYS HA H 466 5.281 5.664 -0.383 1
1 263 . 14 1 1 A 47 47 LYS H H 467 9.363 8.907 0.456 1
1 264 . 14 1 1 A 47 47 LYS HA H 467 4.547 5.491 -0.944 1
1 1 . 15 1 1 A 3 3 LYS H H 423 8.388 8.465 -0.077 1
1 2 . 15 1 1 A 3 3 LYS HA H 423 4.225 4.540 -0.315 1
1 11 . 15 1 1 A 5 5 SER H H 425 8.220 7.994 0.226 1
1 12 . 15 1 1 A 5 5 SER HA H 425 4.336 4.587 -0.251 1
1 15 . 15 1 1 A 6 6 LYS H H 426 8.327 8.747 -0.420 1
1 16 . 15 1 1 A 6 6 LYS HA H 426 4.269 3.829 0.440 1
1 25 . 15 1 1 A 7 7 SER H H 427 8.235 7.968 0.267 1
1 26 . 15 1 1 A 7 7 SER HA H 427 4.343 4.665 -0.322 1
1 29 . 15 1 1 A 8 8 GLY H H 428 8.297 7.503 0.794 1
1 30 . 15 1 1 A 8 8 GLY HA2 H 428 3.857 4.061 -0.204 1
1 31 . 15 1 1 A 8 8 GLY HA3 H 428 3.857 4.061 -0.204 1
1 32 . 15 1 1 A 9 9 VAL H H 429 7.813 8.479 -0.666 1
1 33 . 15 1 1 A 9 9 VAL HA H 429 4.322 4.725 -0.403 1
1 41 . 15 1 1 A 10 10 PRO HA H 430 4.351 4.660 -0.309 1
1 48 . 15 1 1 A 11 11 VAL H H 431 8.213 8.489 -0.276 1
1 49 . 15 1 1 A 11 11 VAL HA H 431 4.019 3.988 0.031 1
1 54 . 15 1 1 A 12 12 THR H H 432 8.064 9.554 -1.490 1
1 55 . 15 1 1 A 12 12 THR HA H 432 4.222 4.041 0.181 1
1 60 . 15 1 1 A 13 13 GLN H H 433 8.337 8.538 -0.201 1
1 61 . 15 1 1 A 13 13 GLN HA H 433 4.333 3.877 0.456 1
1 68 . 15 1 1 A 14 14 THR H H 434 8.134 8.352 -0.218 1
1 69 . 15 1 1 A 14 14 THR HA H 434 4.198 4.204 -0.006 1
1 74 . 15 1 1 A 15 15 GLN H H 435 8.373 8.341 0.032 1
1 75 . 15 1 1 A 15 15 GLN HA H 435 4.332 4.445 -0.113 1
1 82 . 15 1 1 A 16 16 THR H H 436 8.127 8.836 -0.709 1
1 83 . 15 1 1 A 16 16 THR HA H 436 4.207 4.516 -0.309 1
1 88 . 15 1 1 A 17 17 ALA H H 437 8.306 8.817 -0.511 1
1 89 . 15 1 1 A 17 17 ALA HA H 437 4.239 4.026 0.213 1
1 93 . 15 1 1 A 18 18 GLY H H 438 8.285 7.976 0.309 1
1 94 . 15 1 1 A 18 18 GLY HA2 H 438 3.839 4.164 -0.325 1
1 95 . 15 1 1 A 18 18 GLY HA3 H 438 3.839 4.164 -0.325 1
1 96 . 15 1 1 A 19 19 ALA H H 439 8.056 7.968 0.088 1
1 97 . 15 1 1 A 19 19 ALA HA H 439 4.227 4.179 0.048 1
1 101 . 15 1 1 A 20 20 ASP H H 440 8.325 7.874 0.451 1
1 102 . 15 1 1 A 20 20 ASP HA H 440 4.567 4.636 -0.069 1
1 105 . 15 1 1 A 21 21 THR H H 441 8.067 8.853 -0.786 1
1 106 . 15 1 1 A 21 21 THR HA H 441 4.300 4.444 -0.144 1
1 111 . 15 1 1 A 22 22 THR H H 442 8.131 7.890 0.241 1
1 112 . 15 1 1 A 22 22 THR HA H 442 4.176 4.337 -0.161 1
1 117 . 15 1 1 A 23 23 ALA H H 443 8.147 7.972 0.175 1
1 118 . 15 1 1 A 23 23 ALA HA H 443 4.179 3.998 0.181 1
1 122 . 15 1 1 A 24 24 GLU H H 444 8.193 8.470 -0.277 1
1 123 . 15 1 1 A 24 24 GLU HA H 444 4.206 4.078 0.128 1
1 128 . 15 1 1 A 25 25 LYS H H 445 8.525 7.664 0.861 1
1 129 . 15 1 1 A 25 25 LYS HA H 445 4.088 4.137 -0.049 1
1 138 . 15 1 1 A 26 26 CYS H H 446 8.624 7.992 0.632 1
1 139 . 15 1 1 A 26 26 CYS HA H 446 4.560 4.439 0.121 1
1 142 . 15 1 1 A 27 27 LYS H H 447 7.925 7.860 0.065 1
1 143 . 15 1 1 A 27 27 LYS HA H 447 4.019 4.133 -0.114 1
1 152 . 15 1 1 A 28 28 GLY H H 448 8.873 8.811 0.062 1
1 153 . 15 1 1 A 28 28 GLY HA2 H 448 4.094 4.017 0.077 1
1 154 . 15 1 1 A 28 28 GLY HA3 H 448 3.665 4.021 -0.356 1
1 155 . 15 1 1 A 29 29 LYS H H 449 7.462 7.676 -0.214 1
1 156 . 15 1 1 A 29 29 LYS HA H 449 4.220 4.358 -0.138 1
1 165 . 15 1 1 A 30 30 GLY H H 450 8.669 8.586 0.083 1
1 166 . 15 1 1 A 30 30 GLY HA2 H 450 4.212 4.080 0.132 1
1 167 . 15 1 1 A 30 30 GLY HA3 H 450 3.563 4.267 -0.704 1
1 168 . 15 1 1 A 31 31 GLU H H 451 7.724 8.530 -0.806 1
1 169 . 15 1 1 A 31 31 GLU HA H 451 1.968 2.397 -0.429 1
1 174 . 15 1 1 A 32 32 LYS H H 452 8.012 7.801 0.211 1
1 175 . 15 1 1 A 32 32 LYS HA H 452 3.712 3.971 -0.259 1
1 184 . 15 1 1 A 33 33 ASP H H 453 7.057 7.922 -0.865 1
1 185 . 15 1 1 A 33 33 ASP HA H 453 4.678 4.355 0.323 1
1 188 . 15 1 1 A 34 34 CYS H H 454 7.329 8.032 -0.703 1
1 189 . 15 1 1 A 34 34 CYS HA H 454 4.350 4.376 -0.026 1
1 192 . 15 1 1 A 35 35 LYS H H 455 7.892 8.559 -0.667 1
1 193 . 15 1 1 A 35 35 LYS HA H 455 4.457 4.583 -0.126 1
1 202 . 15 1 1 A 36 36 SER H H 456 8.470 8.304 0.166 1
1 203 . 15 1 1 A 36 36 SER HA H 456 4.624 5.129 -0.505 1
1 206 . 15 1 1 A 37 37 PRO HA H 457 4.723 4.564 0.159 1
1 213 . 15 1 1 A 38 38 ASP H H 458 8.115 7.938 0.177 1
1 214 . 15 1 1 A 38 38 ASP HA H 458 4.230 4.815 -0.585 1
1 217 . 15 1 1 A 39 39 CYS H H 459 7.993 7.781 0.212 1
1 218 . 15 1 1 A 39 39 CYS HA H 459 5.259 5.208 0.051 1
1 221 . 15 1 1 A 40 40 LYS H H 460 9.018 9.171 -0.153 1
1 222 . 15 1 1 A 40 40 LYS HA H 460 4.441 4.925 -0.484 1
1 231 . 15 1 1 A 41 41 TRP H H 461 8.511 9.050 -0.539 1
1 232 . 15 1 1 A 41 41 TRP HA H 461 5.205 4.808 0.397 1
1 241 . 15 1 1 A 42 42 GLU H H 462 8.310 8.815 -0.505 1
1 242 . 15 1 1 A 42 42 GLU HA H 462 4.308 4.433 -0.125 1
1 247 . 15 1 1 A 43 43 GLY H H 463 8.730 9.227 -0.497 1
1 248 . 15 1 1 A 43 43 GLY HA2 H 463 3.569 3.695 -0.126 1
1 249 . 15 1 1 A 43 43 GLY HA3 H 463 3.569 3.713 -0.144 1
1 250 . 15 1 1 A 44 44 GLY H H 464 7.730 8.278 -0.548 1
1 251 . 15 1 1 A 44 44 GLY HA2 H 464 3.713 3.575 0.138 1
1 252 . 15 1 1 A 44 44 GLY HA3 H 464 3.139 3.787 -0.648 1
1 253 . 15 1 1 A 45 45 THR H H 465 6.343 6.745 -0.402 1
1 254 . 15 1 1 A 45 45 THR HA H 465 3.821 4.525 -0.704 1
1 259 . 15 1 1 A 46 46 CYS H H 466 8.406 8.990 -0.584 1
1 260 . 15 1 1 A 46 46 CYS HA H 466 5.281 5.137 0.144 1
1 263 . 15 1 1 A 47 47 LYS H H 467 9.363 8.900 0.463 1
1 264 . 15 1 1 A 47 47 LYS HA H 467 4.547 4.972 -0.425 1
1 1 . 16 1 1 A 3 3 LYS H H 423 8.388 8.128 0.260 1
1 2 . 16 1 1 A 3 3 LYS HA H 423 4.225 4.252 -0.027 1
1 11 . 16 1 1 A 5 5 SER H H 425 8.220 8.995 -0.775 1
1 12 . 16 1 1 A 5 5 SER HA H 425 4.336 4.125 0.211 1
1 15 . 16 1 1 A 6 6 LYS H H 426 8.327 7.971 0.356 1
1 16 . 16 1 1 A 6 6 LYS HA H 426 4.269 4.001 0.268 1
1 25 . 16 1 1 A 7 7 SER H H 427 8.235 8.151 0.084 1
1 26 . 16 1 1 A 7 7 SER HA H 427 4.343 4.401 -0.058 1
1 29 . 16 1 1 A 8 8 GLY H H 428 8.297 7.423 0.874 1
1 30 . 16 1 1 A 8 8 GLY HA2 H 428 3.857 4.057 -0.200 1
1 31 . 16 1 1 A 8 8 GLY HA3 H 428 3.857 4.057 -0.200 1
1 32 . 16 1 1 A 9 9 VAL H H 429 7.813 8.410 -0.597 1
1 33 . 16 1 1 A 9 9 VAL HA H 429 4.322 4.251 0.071 1
1 41 . 16 1 1 A 10 10 PRO HA H 430 4.351 4.537 -0.186 1
1 48 . 16 1 1 A 11 11 VAL H H 431 8.213 8.502 -0.289 1
1 49 . 16 1 1 A 11 11 VAL HA H 431 4.019 4.300 -0.281 1
1 54 . 16 1 1 A 12 12 THR H H 432 8.064 8.070 -0.006 1
1 55 . 16 1 1 A 12 12 THR HA H 432 4.222 4.020 0.202 1
1 60 . 16 1 1 A 13 13 GLN H H 433 8.337 8.089 0.248 1
1 61 . 16 1 1 A 13 13 GLN HA H 433 4.333 4.263 0.070 1
1 68 . 16 1 1 A 14 14 THR H H 434 8.134 7.903 0.231 1
1 69 . 16 1 1 A 14 14 THR HA H 434 4.198 4.297 -0.099 1
1 74 . 16 1 1 A 15 15 GLN H H 435 8.373 7.889 0.484 1
1 75 . 16 1 1 A 15 15 GLN HA H 435 4.332 3.854 0.478 1
1 82 . 16 1 1 A 16 16 THR H H 436 8.127 7.918 0.209 1
1 83 . 16 1 1 A 16 16 THR HA H 436 4.207 4.422 -0.215 1
1 88 . 16 1 1 A 17 17 ALA H H 437 8.306 8.818 -0.512 1
1 89 . 16 1 1 A 17 17 ALA HA H 437 4.239 4.482 -0.243 1
1 93 . 16 1 1 A 18 18 GLY H H 438 8.285 8.274 0.011 1
1 94 . 16 1 1 A 18 18 GLY HA2 H 438 3.839 3.831 0.008 1
1 95 . 16 1 1 A 18 18 GLY HA3 H 438 3.839 3.833 0.006 1
1 96 . 16 1 1 A 19 19 ALA H H 439 8.056 7.883 0.173 1
1 97 . 16 1 1 A 19 19 ALA HA H 439 4.227 3.936 0.291 1
1 101 . 16 1 1 A 20 20 ASP H H 440 8.325 8.413 -0.088 1
1 102 . 16 1 1 A 20 20 ASP HA H 440 4.567 4.271 0.296 1
1 105 . 16 1 1 A 21 21 THR H H 441 8.067 8.605 -0.538 1
1 106 . 16 1 1 A 21 21 THR HA H 441 4.300 3.934 0.366 1
1 111 . 16 1 1 A 22 22 THR H H 442 8.131 8.376 -0.245 1
1 112 . 16 1 1 A 22 22 THR HA H 442 4.176 4.562 -0.386 1
1 117 . 16 1 1 A 23 23 ALA H H 443 8.147 8.209 -0.062 1
1 118 . 16 1 1 A 23 23 ALA HA H 443 4.179 3.918 0.261 1
1 122 . 16 1 1 A 24 24 GLU H H 444 8.193 8.889 -0.696 1
1 123 . 16 1 1 A 24 24 GLU HA H 444 4.206 4.414 -0.208 1
1 128 . 16 1 1 A 25 25 LYS H H 445 8.525 7.932 0.593 1
1 129 . 16 1 1 A 25 25 LYS HA H 445 4.088 4.005 0.083 1
1 138 . 16 1 1 A 26 26 CYS H H 446 8.624 7.855 0.769 1
1 139 . 16 1 1 A 26 26 CYS HA H 446 4.560 4.801 -0.241 1
1 142 . 16 1 1 A 27 27 LYS H H 447 7.925 7.659 0.266 1
1 143 . 16 1 1 A 27 27 LYS HA H 447 4.019 4.365 -0.346 1
1 152 . 16 1 1 A 28 28 GLY H H 448 8.873 8.980 -0.107 1
1 153 . 16 1 1 A 28 28 GLY HA2 H 448 4.094 4.041 0.053 1
1 154 . 16 1 1 A 28 28 GLY HA3 H 448 3.665 4.044 -0.379 1
1 155 . 16 1 1 A 29 29 LYS H H 449 7.462 7.799 -0.337 1
1 156 . 16 1 1 A 29 29 LYS HA H 449 4.220 4.444 -0.224 1
1 165 . 16 1 1 A 30 30 GLY H H 450 8.669 8.529 0.140 1
1 166 . 16 1 1 A 30 30 GLY HA2 H 450 4.212 4.098 0.114 1
1 167 . 16 1 1 A 30 30 GLY HA3 H 450 3.563 4.239 -0.676 1
1 168 . 16 1 1 A 31 31 GLU H H 451 7.724 8.600 -0.876 1
1 169 . 16 1 1 A 31 31 GLU HA H 451 1.968 2.618 -0.650 1
1 174 . 16 1 1 A 32 32 LYS H H 452 8.012 7.940 0.072 1
1 175 . 16 1 1 A 32 32 LYS HA H 452 3.712 3.922 -0.210 1
1 184 . 16 1 1 A 33 33 ASP H H 453 7.057 7.284 -0.227 1
1 185 . 16 1 1 A 33 33 ASP HA H 453 4.678 4.382 0.296 1
1 188 . 16 1 1 A 34 34 CYS H H 454 7.329 8.019 -0.690 1
1 189 . 16 1 1 A 34 34 CYS HA H 454 4.350 4.484 -0.134 1
1 192 . 16 1 1 A 35 35 LYS H H 455 7.892 8.602 -0.710 1
1 193 . 16 1 1 A 35 35 LYS HA H 455 4.457 4.690 -0.233 1
1 202 . 16 1 1 A 36 36 SER H H 456 8.470 9.038 -0.568 1
1 203 . 16 1 1 A 36 36 SER HA H 456 4.624 4.543 0.081 1
1 206 . 16 1 1 A 37 37 PRO HA H 457 4.723 4.342 0.381 1
1 213 . 16 1 1 A 38 38 ASP H H 458 8.115 8.403 -0.288 1
1 214 . 16 1 1 A 38 38 ASP HA H 458 4.230 4.336 -0.106 1
1 217 . 16 1 1 A 39 39 CYS H H 459 7.993 8.304 -0.311 1
1 218 . 16 1 1 A 39 39 CYS HA H 459 5.259 4.925 0.334 1
1 221 . 16 1 1 A 40 40 LYS H H 460 9.018 8.694 0.324 1
1 222 . 16 1 1 A 40 40 LYS HA H 460 4.441 5.193 -0.752 1
1 231 . 16 1 1 A 41 41 TRP H H 461 8.511 9.069 -0.558 1
1 232 . 16 1 1 A 41 41 TRP HA H 461 5.205 5.529 -0.324 1
1 241 . 16 1 1 A 42 42 GLU H H 462 8.310 8.412 -0.102 1
1 242 . 16 1 1 A 42 42 GLU HA H 462 4.308 4.508 -0.200 1
1 247 . 16 1 1 A 43 43 GLY H H 463 8.730 8.936 -0.206 1
1 248 . 16 1 1 A 43 43 GLY HA2 H 463 3.569 3.769 -0.200 1
1 249 . 16 1 1 A 43 43 GLY HA3 H 463 3.569 3.834 -0.265 1
1 250 . 16 1 1 A 44 44 GLY H H 464 7.730 7.936 -0.206 1
1 251 . 16 1 1 A 44 44 GLY HA2 H 464 3.713 3.838 -0.125 1
1 252 . 16 1 1 A 44 44 GLY HA3 H 464 3.139 4.008 -0.869 1
1 253 . 16 1 1 A 45 45 THR H H 465 6.343 6.747 -0.404 1
1 254 . 16 1 1 A 45 45 THR HA H 465 3.821 4.459 -0.638 1
1 259 . 16 1 1 A 46 46 CYS H H 466 8.406 8.981 -0.575 1
1 260 . 16 1 1 A 46 46 CYS HA H 466 5.281 5.802 -0.521 1
1 263 . 16 1 1 A 47 47 LYS H H 467 9.363 9.086 0.277 1
1 264 . 16 1 1 A 47 47 LYS HA H 467 4.547 5.299 -0.752 1
1 1 . 17 1 1 A 3 3 LYS H H 423 8.388 8.673 -0.285 1
1 2 . 17 1 1 A 3 3 LYS HA H 423 4.225 3.771 0.454 1
1 11 . 17 1 1 A 5 5 SER H H 425 8.220 8.679 -0.459 1
1 12 . 17 1 1 A 5 5 SER HA H 425 4.336 4.439 -0.103 1
1 15 . 17 1 1 A 6 6 LYS H H 426 8.327 8.271 0.056 1
1 16 . 17 1 1 A 6 6 LYS HA H 426 4.269 4.409 -0.140 1
1 25 . 17 1 1 A 7 7 SER H H 427 8.235 8.164 0.071 1
1 26 . 17 1 1 A 7 7 SER HA H 427 4.343 4.840 -0.497 1
1 29 . 17 1 1 A 8 8 GLY H H 428 8.297 8.349 -0.052 1
1 30 . 17 1 1 A 8 8 GLY HA2 H 428 3.857 4.043 -0.186 1
1 31 . 17 1 1 A 8 8 GLY HA3 H 428 3.857 4.043 -0.186 1
1 32 . 17 1 1 A 9 9 VAL H H 429 7.813 7.929 -0.116 1
1 33 . 17 1 1 A 9 9 VAL HA H 429 4.322 4.487 -0.165 1
1 41 . 17 1 1 A 10 10 PRO HA H 430 4.351 4.715 -0.364 1
1 48 . 17 1 1 A 11 11 VAL H H 431 8.213 8.395 -0.182 1
1 49 . 17 1 1 A 11 11 VAL HA H 431 4.019 4.239 -0.220 1
1 54 . 17 1 1 A 12 12 THR H H 432 8.064 7.677 0.387 1
1 55 . 17 1 1 A 12 12 THR HA H 432 4.222 4.638 -0.416 1
1 60 . 17 1 1 A 13 13 GLN H H 433 8.337 8.427 -0.090 1
1 61 . 17 1 1 A 13 13 GLN HA H 433 4.333 4.800 -0.467 1
1 68 . 17 1 1 A 14 14 THR H H 434 8.134 8.715 -0.581 1
1 69 . 17 1 1 A 14 14 THR HA H 434 4.198 4.213 -0.015 1
1 74 . 17 1 1 A 15 15 GLN H H 435 8.373 7.541 0.832 1
1 75 . 17 1 1 A 15 15 GLN HA H 435 4.332 4.563 -0.231 1
1 82 . 17 1 1 A 16 16 THR H H 436 8.127 8.677 -0.550 1
1 83 . 17 1 1 A 16 16 THR HA H 436 4.207 4.297 -0.090 1
1 88 . 17 1 1 A 17 17 ALA H H 437 8.306 8.211 0.095 1
1 89 . 17 1 1 A 17 17 ALA HA H 437 4.239 3.903 0.336 1
1 93 . 17 1 1 A 18 18 GLY H H 438 8.285 8.406 -0.121 1
1 94 . 17 1 1 A 18 18 GLY HA2 H 438 3.839 4.188 -0.349 1
1 95 . 17 1 1 A 18 18 GLY HA3 H 438 3.839 4.188 -0.349 1
1 96 . 17 1 1 A 19 19 ALA H H 439 8.056 8.634 -0.578 1
1 97 . 17 1 1 A 19 19 ALA HA H 439 4.227 4.973 -0.746 1
1 101 . 17 1 1 A 20 20 ASP H H 440 8.325 8.622 -0.297 1
1 102 . 17 1 1 A 20 20 ASP HA H 440 4.567 4.707 -0.140 1
1 105 . 17 1 1 A 21 21 THR H H 441 8.067 7.627 0.440 1
1 106 . 17 1 1 A 21 21 THR HA H 441 4.300 4.233 0.067 1
1 111 . 17 1 1 A 22 22 THR H H 442 8.131 8.532 -0.401 1
1 112 . 17 1 1 A 22 22 THR HA H 442 4.176 4.530 -0.354 1
1 117 . 17 1 1 A 23 23 ALA H H 443 8.147 7.924 0.223 1
1 118 . 17 1 1 A 23 23 ALA HA H 443 4.179 4.063 0.116 1
1 122 . 17 1 1 A 24 24 GLU H H 444 8.193 8.850 -0.657 1
1 123 . 17 1 1 A 24 24 GLU HA H 444 4.206 4.499 -0.293 1
1 128 . 17 1 1 A 25 25 LYS H H 445 8.525 7.322 1.203 1
1 129 . 17 1 1 A 25 25 LYS HA H 445 4.088 3.995 0.093 1
1 138 . 17 1 1 A 26 26 CYS H H 446 8.624 8.035 0.589 1
1 139 . 17 1 1 A 26 26 CYS HA H 446 4.560 4.798 -0.238 1
1 142 . 17 1 1 A 27 27 LYS H H 447 7.925 7.691 0.234 1
1 143 . 17 1 1 A 27 27 LYS HA H 447 4.019 3.896 0.123 1
1 152 . 17 1 1 A 28 28 GLY H H 448 8.873 9.073 -0.200 1
1 153 . 17 1 1 A 28 28 GLY HA2 H 448 4.094 4.003 0.091 1
1 154 . 17 1 1 A 28 28 GLY HA3 H 448 3.665 4.017 -0.352 1
1 155 . 17 1 1 A 29 29 LYS H H 449 7.462 8.416 -0.954 1
1 156 . 17 1 1 A 29 29 LYS HA H 449 4.220 4.302 -0.082 1
1 165 . 17 1 1 A 30 30 GLY H H 450 8.669 7.969 0.700 1
1 166 . 17 1 1 A 30 30 GLY HA2 H 450 4.212 4.120 0.092 1
1 167 . 17 1 1 A 30 30 GLY HA3 H 450 3.563 4.275 -0.712 1
1 168 . 17 1 1 A 31 31 GLU H H 451 7.724 8.530 -0.806 1
1 169 . 17 1 1 A 31 31 GLU HA H 451 1.968 2.781 -0.813 1
1 174 . 17 1 1 A 32 32 LYS H H 452 8.012 7.933 0.079 1
1 175 . 17 1 1 A 32 32 LYS HA H 452 3.712 3.932 -0.220 1
1 184 . 17 1 1 A 33 33 ASP H H 453 7.057 8.071 -1.014 1
1 185 . 17 1 1 A 33 33 ASP HA H 453 4.678 4.281 0.397 1
1 188 . 17 1 1 A 34 34 CYS H H 454 7.329 8.191 -0.862 1
1 189 . 17 1 1 A 34 34 CYS HA H 454 4.350 4.456 -0.106 1
1 192 . 17 1 1 A 35 35 LYS H H 455 7.892 8.730 -0.838 1
1 193 . 17 1 1 A 35 35 LYS HA H 455 4.457 4.574 -0.117 1
1 202 . 17 1 1 A 36 36 SER H H 456 8.470 9.003 -0.533 1
1 203 . 17 1 1 A 36 36 SER HA H 456 4.624 4.519 0.105 1
1 206 . 17 1 1 A 37 37 PRO HA H 457 4.723 4.318 0.405 1
1 213 . 17 1 1 A 38 38 ASP H H 458 8.115 8.320 -0.205 1
1 214 . 17 1 1 A 38 38 ASP HA H 458 4.230 4.415 -0.185 1
1 217 . 17 1 1 A 39 39 CYS H H 459 7.993 8.304 -0.311 1
1 218 . 17 1 1 A 39 39 CYS HA H 459 5.259 4.969 0.290 1
1 221 . 17 1 1 A 40 40 LYS H H 460 9.018 8.431 0.587 1
1 222 . 17 1 1 A 40 40 LYS HA H 460 4.441 4.537 -0.096 1
1 231 . 17 1 1 A 41 41 TRP H H 461 8.511 8.692 -0.181 1
1 232 . 17 1 1 A 41 41 TRP HA H 461 5.205 5.323 -0.118 1
1 241 . 17 1 1 A 42 42 GLU H H 462 8.310 8.871 -0.561 1
1 242 . 17 1 1 A 42 42 GLU HA H 462 4.308 4.526 -0.218 1
1 247 . 17 1 1 A 43 43 GLY H H 463 8.730 8.397 0.333 1
1 248 . 17 1 1 A 43 43 GLY HA2 H 463 3.569 3.867 -0.298 1
1 249 . 17 1 1 A 43 43 GLY HA3 H 463 3.569 3.967 -0.398 1
1 250 . 17 1 1 A 44 44 GLY H H 464 7.730 7.906 -0.176 1
1 251 . 17 1 1 A 44 44 GLY HA2 H 464 3.713 3.995 -0.282 1
1 252 . 17 1 1 A 44 44 GLY HA3 H 464 3.139 4.038 -0.899 1
1 253 . 17 1 1 A 45 45 THR H H 465 6.343 6.399 -0.056 1
1 254 . 17 1 1 A 45 45 THR HA H 465 3.821 4.502 -0.681 1
1 259 . 17 1 1 A 46 46 CYS H H 466 8.406 8.964 -0.558 1
1 260 . 17 1 1 A 46 46 CYS HA H 466 5.281 5.241 0.040 1
1 263 . 17 1 1 A 47 47 LYS H H 467 9.363 8.982 0.381 1
1 264 . 17 1 1 A 47 47 LYS HA H 467 4.547 5.027 -0.480 1
1 1 . 18 1 1 A 3 3 LYS H H 423 8.388 8.603 -0.215 1
1 2 . 18 1 1 A 3 3 LYS HA H 423 4.225 4.140 0.085 1
1 11 . 18 1 1 A 5 5 SER H H 425 8.220 8.555 -0.335 1
1 12 . 18 1 1 A 5 5 SER HA H 425 4.336 4.644 -0.308 1
1 15 . 18 1 1 A 6 6 LYS H H 426 8.327 8.184 0.143 1
1 16 . 18 1 1 A 6 6 LYS HA H 426 4.269 4.047 0.222 1
1 25 . 18 1 1 A 7 7 SER H H 427 8.235 8.651 -0.416 1
1 26 . 18 1 1 A 7 7 SER HA H 427 4.343 4.177 0.166 1
1 29 . 18 1 1 A 8 8 GLY H H 428 8.297 7.693 0.604 1
1 30 . 18 1 1 A 8 8 GLY HA2 H 428 3.857 4.037 -0.180 1
1 31 . 18 1 1 A 8 8 GLY HA3 H 428 3.857 4.037 -0.180 1
1 32 . 18 1 1 A 9 9 VAL H H 429 7.813 8.992 -1.179 1
1 33 . 18 1 1 A 9 9 VAL HA H 429 4.322 4.895 -0.573 1
1 41 . 18 1 1 A 10 10 PRO HA H 430 4.351 4.573 -0.222 1
1 48 . 18 1 1 A 11 11 VAL H H 431 8.213 7.743 0.470 1
1 49 . 18 1 1 A 11 11 VAL HA H 431 4.019 4.027 -0.008 1
1 54 . 18 1 1 A 12 12 THR H H 432 8.064 8.317 -0.253 1
1 55 . 18 1 1 A 12 12 THR HA H 432 4.222 3.865 0.357 1
1 60 . 18 1 1 A 13 13 GLN H H 433 8.337 8.218 0.119 1
1 61 . 18 1 1 A 13 13 GLN HA H 433 4.333 4.467 -0.134 1
1 68 . 18 1 1 A 14 14 THR H H 434 8.134 8.057 0.077 1
1 69 . 18 1 1 A 14 14 THR HA H 434 4.198 3.749 0.449 1
1 74 . 18 1 1 A 15 15 GLN H H 435 8.373 7.917 0.456 1
1 75 . 18 1 1 A 15 15 GLN HA H 435 4.332 4.394 -0.062 1
1 82 . 18 1 1 A 16 16 THR H H 436 8.127 9.004 -0.877 1
1 83 . 18 1 1 A 16 16 THR HA H 436 4.207 4.020 0.187 1
1 88 . 18 1 1 A 17 17 ALA H H 437 8.306 7.815 0.491 1
1 89 . 18 1 1 A 17 17 ALA HA H 437 4.239 4.048 0.191 1
1 93 . 18 1 1 A 18 18 GLY H H 438 8.285 8.367 -0.082 1
1 94 . 18 1 1 A 18 18 GLY HA2 H 438 3.839 3.968 -0.129 1
1 95 . 18 1 1 A 18 18 GLY HA3 H 438 3.839 3.969 -0.130 1
1 96 . 18 1 1 A 19 19 ALA H H 439 8.056 7.546 0.510 1
1 97 . 18 1 1 A 19 19 ALA HA H 439 4.227 4.635 -0.408 1
1 101 . 18 1 1 A 20 20 ASP H H 440 8.325 8.683 -0.358 1
1 102 . 18 1 1 A 20 20 ASP HA H 440 4.567 4.676 -0.109 1
1 105 . 18 1 1 A 21 21 THR H H 441 8.067 8.636 -0.569 1
1 106 . 18 1 1 A 21 21 THR HA H 441 4.300 4.134 0.166 1
1 111 . 18 1 1 A 22 22 THR H H 442 8.131 7.663 0.468 1
1 112 . 18 1 1 A 22 22 THR HA H 442 4.176 4.390 -0.214 1
1 117 . 18 1 1 A 23 23 ALA H H 443 8.147 8.796 -0.649 1
1 118 . 18 1 1 A 23 23 ALA HA H 443 4.179 4.234 -0.055 1
1 122 . 18 1 1 A 24 24 GLU H H 444 8.193 7.652 0.541 1
1 123 . 18 1 1 A 24 24 GLU HA H 444 4.206 4.510 -0.304 1
1 128 . 18 1 1 A 25 25 LYS H H 445 8.525 8.033 0.492 1
1 129 . 18 1 1 A 25 25 LYS HA H 445 4.088 4.375 -0.287 1
1 138 . 18 1 1 A 26 26 CYS H H 446 8.624 8.597 0.027 1
1 139 . 18 1 1 A 26 26 CYS HA H 446 4.560 4.227 0.333 1
1 142 . 18 1 1 A 27 27 LYS H H 447 7.925 7.820 0.105 1
1 143 . 18 1 1 A 27 27 LYS HA H 447 4.019 4.624 -0.605 1
1 152 . 18 1 1 A 28 28 GLY H H 448 8.873 8.799 0.074 1
1 153 . 18 1 1 A 28 28 GLY HA2 H 448 4.094 3.994 0.100 1
1 154 . 18 1 1 A 28 28 GLY HA3 H 448 3.665 3.997 -0.332 1
1 155 . 18 1 1 A 29 29 LYS H H 449 7.462 7.387 0.075 1
1 156 . 18 1 1 A 29 29 LYS HA H 449 4.220 4.438 -0.218 1
1 165 . 18 1 1 A 30 30 GLY H H 450 8.669 8.587 0.082 1
1 166 . 18 1 1 A 30 30 GLY HA2 H 450 4.212 4.189 0.023 1
1 167 . 18 1 1 A 30 30 GLY HA3 H 450 3.563 4.356 -0.793 1
1 168 . 18 1 1 A 31 31 GLU H H 451 7.724 8.958 -1.234 1
1 169 . 18 1 1 A 31 31 GLU HA H 451 1.968 3.166 -1.198 1
1 174 . 18 1 1 A 32 32 LYS H H 452 8.012 8.103 -0.091 1
1 175 . 18 1 1 A 32 32 LYS HA H 452 3.712 4.273 -0.561 1
1 184 . 18 1 1 A 33 33 ASP H H 453 7.057 7.821 -0.764 1
1 185 . 18 1 1 A 33 33 ASP HA H 453 4.678 4.809 -0.131 1
1 188 . 18 1 1 A 34 34 CYS H H 454 7.329 8.782 -1.453 1
1 189 . 18 1 1 A 34 34 CYS HA H 454 4.350 4.536 -0.186 1
1 192 . 18 1 1 A 35 35 LYS H H 455 7.892 8.717 -0.825 1
1 193 . 18 1 1 A 35 35 LYS HA H 455 4.457 4.493 -0.036 1
1 202 . 18 1 1 A 36 36 SER H H 456 8.470 8.228 0.242 1
1 203 . 18 1 1 A 36 36 SER HA H 456 4.624 5.119 -0.495 1
1 206 . 18 1 1 A 37 37 PRO HA H 457 4.723 4.544 0.179 1
1 213 . 18 1 1 A 38 38 ASP H H 458 8.115 8.084 0.031 1
1 214 . 18 1 1 A 38 38 ASP HA H 458 4.230 4.820 -0.590 1
1 217 . 18 1 1 A 39 39 CYS H H 459 7.993 7.808 0.185 1
1 218 . 18 1 1 A 39 39 CYS HA H 459 5.259 5.186 0.073 1
1 221 . 18 1 1 A 40 40 LYS H H 460 9.018 8.892 0.126 1
1 222 . 18 1 1 A 40 40 LYS HA H 460 4.441 5.065 -0.624 1
1 231 . 18 1 1 A 41 41 TRP H H 461 8.511 9.055 -0.544 1
1 232 . 18 1 1 A 41 41 TRP HA H 461 5.205 4.880 0.325 1
1 241 . 18 1 1 A 42 42 GLU H H 462 8.310 8.753 -0.443 1
1 242 . 18 1 1 A 42 42 GLU HA H 462 4.308 4.531 -0.223 1
1 247 . 18 1 1 A 43 43 GLY H H 463 8.730 9.294 -0.564 1
1 248 . 18 1 1 A 43 43 GLY HA2 H 463 3.569 3.713 -0.144 1
1 249 . 18 1 1 A 43 43 GLY HA3 H 463 3.569 3.749 -0.180 1
1 250 . 18 1 1 A 44 44 GLY H H 464 7.730 8.461 -0.731 1
1 251 . 18 1 1 A 44 44 GLY HA2 H 464 3.713 3.874 -0.161 1
1 252 . 18 1 1 A 44 44 GLY HA3 H 464 3.139 3.926 -0.787 1
1 253 . 18 1 1 A 45 45 THR H H 465 6.343 6.712 -0.369 1
1 254 . 18 1 1 A 45 45 THR HA H 465 3.821 4.311 -0.490 1
1 259 . 18 1 1 A 46 46 CYS H H 466 8.406 8.468 -0.062 1
1 260 . 18 1 1 A 46 46 CYS HA H 466 5.281 5.331 -0.050 1
1 263 . 18 1 1 A 47 47 LYS H H 467 9.363 9.093 0.270 1
1 264 . 18 1 1 A 47 47 LYS HA H 467 4.547 5.768 -1.221 1
1 1 . 19 1 1 A 3 3 LYS H H 423 8.388 8.891 -0.503 1
1 2 . 19 1 1 A 3 3 LYS HA H 423 4.225 4.085 0.140 1
1 11 . 19 1 1 A 5 5 SER H H 425 8.220 8.740 -0.520 1
1 12 . 19 1 1 A 5 5 SER HA H 425 4.336 4.313 0.023 1
1 15 . 19 1 1 A 6 6 LYS H H 426 8.327 8.582 -0.255 1
1 16 . 19 1 1 A 6 6 LYS HA H 426 4.269 4.493 -0.224 1
1 25 . 19 1 1 A 7 7 SER H H 427 8.235 7.625 0.610 1
1 26 . 19 1 1 A 7 7 SER HA H 427 4.343 4.303 0.040 1
1 29 . 19 1 1 A 8 8 GLY H H 428 8.297 8.556 -0.259 1
1 30 . 19 1 1 A 8 8 GLY HA2 H 428 3.857 4.091 -0.234 1
1 31 . 19 1 1 A 8 8 GLY HA3 H 428 3.857 4.093 -0.236 1
1 32 . 19 1 1 A 9 9 VAL H H 429 7.813 8.434 -0.621 1
1 33 . 19 1 1 A 9 9 VAL HA H 429 4.322 4.490 -0.168 1
1 41 . 19 1 1 A 10 10 PRO HA H 430 4.351 4.634 -0.283 1
1 48 . 19 1 1 A 11 11 VAL H H 431 8.213 8.125 0.088 1
1 49 . 19 1 1 A 11 11 VAL HA H 431 4.019 4.337 -0.318 1
1 54 . 19 1 1 A 12 12 THR H H 432 8.064 8.489 -0.425 1
1 55 . 19 1 1 A 12 12 THR HA H 432 4.222 3.910 0.312 1
1 60 . 19 1 1 A 13 13 GLN H H 433 8.337 8.386 -0.049 1
1 61 . 19 1 1 A 13 13 GLN HA H 433 4.333 4.057 0.276 1
1 68 . 19 1 1 A 14 14 THR H H 434 8.134 8.624 -0.490 1
1 69 . 19 1 1 A 14 14 THR HA H 434 4.198 3.930 0.268 1
1 74 . 19 1 1 A 15 15 GLN H H 435 8.373 7.907 0.466 1
1 75 . 19 1 1 A 15 15 GLN HA H 435 4.332 4.032 0.300 1
1 82 . 19 1 1 A 16 16 THR H H 436 8.127 7.751 0.376 1
1 83 . 19 1 1 A 16 16 THR HA H 436 4.207 3.876 0.331 1
1 88 . 19 1 1 A 17 17 ALA H H 437 8.306 7.605 0.701 1
1 89 . 19 1 1 A 17 17 ALA HA H 437 4.239 4.344 -0.105 1
1 93 . 19 1 1 A 18 18 GLY H H 438 8.285 7.985 0.300 1
1 94 . 19 1 1 A 18 18 GLY HA2 H 438 3.839 4.085 -0.246 1
1 95 . 19 1 1 A 18 18 GLY HA3 H 438 3.839 4.085 -0.246 1
1 96 . 19 1 1 A 19 19 ALA H H 439 8.056 7.908 0.148 1
1 97 . 19 1 1 A 19 19 ALA HA H 439 4.227 4.430 -0.203 1
1 101 . 19 1 1 A 20 20 ASP H H 440 8.325 7.801 0.524 1
1 102 . 19 1 1 A 20 20 ASP HA H 440 4.567 4.603 -0.036 1
1 105 . 19 1 1 A 21 21 THR H H 441 8.067 8.584 -0.517 1
1 106 . 19 1 1 A 21 21 THR HA H 441 4.300 4.068 0.232 1
1 111 . 19 1 1 A 22 22 THR H H 442 8.131 7.673 0.458 1
1 112 . 19 1 1 A 22 22 THR HA H 442 4.176 4.314 -0.138 1
1 117 . 19 1 1 A 23 23 ALA H H 443 8.147 8.136 0.011 1
1 118 . 19 1 1 A 23 23 ALA HA H 443 4.179 3.957 0.222 1
1 122 . 19 1 1 A 24 24 GLU H H 444 8.193 7.924 0.269 1
1 123 . 19 1 1 A 24 24 GLU HA H 444 4.206 4.294 -0.088 1
1 128 . 19 1 1 A 25 25 LYS H H 445 8.525 8.796 -0.271 1
1 129 . 19 1 1 A 25 25 LYS HA H 445 4.088 3.949 0.139 1
1 138 . 19 1 1 A 26 26 CYS H H 446 8.624 7.963 0.661 1
1 139 . 19 1 1 A 26 26 CYS HA H 446 4.560 4.450 0.110 1
1 142 . 19 1 1 A 27 27 LYS H H 447 7.925 7.824 0.101 1
1 143 . 19 1 1 A 27 27 LYS HA H 447 4.019 4.292 -0.273 1
1 152 . 19 1 1 A 28 28 GLY H H 448 8.873 8.776 0.097 1
1 153 . 19 1 1 A 28 28 GLY HA2 H 448 4.094 4.009 0.085 1
1 154 . 19 1 1 A 28 28 GLY HA3 H 448 3.665 4.013 -0.348 1
1 155 . 19 1 1 A 29 29 LYS H H 449 7.462 7.646 -0.184 1
1 156 . 19 1 1 A 29 29 LYS HA H 449 4.220 4.385 -0.165 1
1 165 . 19 1 1 A 30 30 GLY H H 450 8.669 8.557 0.112 1
1 166 . 19 1 1 A 30 30 GLY HA2 H 450 4.212 4.130 0.082 1
1 167 . 19 1 1 A 30 30 GLY HA3 H 450 3.563 4.272 -0.709 1
1 168 . 19 1 1 A 31 31 GLU H H 451 7.724 8.698 -0.974 1
1 169 . 19 1 1 A 31 31 GLU HA H 451 1.968 2.657 -0.689 1
1 174 . 19 1 1 A 32 32 LYS H H 452 8.012 7.749 0.263 1
1 175 . 19 1 1 A 32 32 LYS HA H 452 3.712 3.926 -0.214 1
1 184 . 19 1 1 A 33 33 ASP H H 453 7.057 7.861 -0.804 1
1 185 . 19 1 1 A 33 33 ASP HA H 453 4.678 4.413 0.265 1
1 188 . 19 1 1 A 34 34 CYS H H 454 7.329 8.403 -1.074 1
1 189 . 19 1 1 A 34 34 CYS HA H 454 4.350 4.423 -0.073 1
1 192 . 19 1 1 A 35 35 LYS H H 455 7.892 8.468 -0.576 1
1 193 . 19 1 1 A 35 35 LYS HA H 455 4.457 4.479 -0.022 1
1 202 . 19 1 1 A 36 36 SER H H 456 8.470 8.906 -0.436 1
1 203 . 19 1 1 A 36 36 SER HA H 456 4.624 4.628 -0.004 1
1 206 . 19 1 1 A 37 37 PRO HA H 457 4.723 4.310 0.413 1
1 213 . 19 1 1 A 38 38 ASP H H 458 8.115 8.390 -0.275 1
1 214 . 19 1 1 A 38 38 ASP HA H 458 4.230 4.363 -0.133 1
1 217 . 19 1 1 A 39 39 CYS H H 459 7.993 8.543 -0.550 1
1 218 . 19 1 1 A 39 39 CYS HA H 459 5.259 5.126 0.133 1
1 221 . 19 1 1 A 40 40 LYS H H 460 9.018 8.511 0.507 1
1 222 . 19 1 1 A 40 40 LYS HA H 460 4.441 4.717 -0.276 1
1 231 . 19 1 1 A 41 41 TRP H H 461 8.511 8.936 -0.425 1
1 232 . 19 1 1 A 41 41 TRP HA H 461 5.205 4.908 0.297 1
1 241 . 19 1 1 A 42 42 GLU H H 462 8.310 8.500 -0.190 1
1 242 . 19 1 1 A 42 42 GLU HA H 462 4.308 4.415 -0.107 1
1 247 . 19 1 1 A 43 43 GLY H H 463 8.730 9.116 -0.386 1
1 248 . 19 1 1 A 43 43 GLY HA2 H 463 3.569 3.711 -0.142 1
1 249 . 19 1 1 A 43 43 GLY HA3 H 463 3.569 3.739 -0.170 1
1 250 . 19 1 1 A 44 44 GLY H H 464 7.730 8.434 -0.704 1
1 251 . 19 1 1 A 44 44 GLY HA2 H 464 3.713 3.774 -0.061 1
1 252 . 19 1 1 A 44 44 GLY HA3 H 464 3.139 3.815 -0.676 1
1 253 . 19 1 1 A 45 45 THR H H 465 6.343 6.807 -0.464 1
1 254 . 19 1 1 A 45 45 THR HA H 465 3.821 3.962 -0.141 1
1 259 . 19 1 1 A 46 46 CYS H H 466 8.406 8.599 -0.193 1
1 260 . 19 1 1 A 46 46 CYS HA H 466 5.281 5.010 0.271 1
1 263 . 19 1 1 A 47 47 LYS H H 467 9.363 9.139 0.224 1
1 264 . 19 1 1 A 47 47 LYS HA H 467 4.547 4.669 -0.122 1
1 1 . 20 1 1 A 3 3 LYS H H 423 8.388 8.915 -0.527 1
1 2 . 20 1 1 A 3 3 LYS HA H 423 4.225 3.955 0.270 1
1 11 . 20 1 1 A 5 5 SER H H 425 8.220 8.698 -0.478 1
1 12 . 20 1 1 A 5 5 SER HA H 425 4.336 4.049 0.287 1
1 15 . 20 1 1 A 6 6 LYS H H 426 8.327 7.896 0.431 1
1 16 . 20 1 1 A 6 6 LYS HA H 426 4.269 3.938 0.331 1
1 25 . 20 1 1 A 7 7 SER H H 427 8.235 8.849 -0.614 1
1 26 . 20 1 1 A 7 7 SER HA H 427 4.343 4.189 0.154 1
1 29 . 20 1 1 A 8 8 GLY H H 428 8.297 7.873 0.424 1
1 30 . 20 1 1 A 8 8 GLY HA2 H 428 3.857 4.111 -0.254 1
1 31 . 20 1 1 A 8 8 GLY HA3 H 428 3.857 4.111 -0.254 1
1 32 . 20 1 1 A 9 9 VAL H H 429 7.813 7.700 0.113 1
1 33 . 20 1 1 A 9 9 VAL HA H 429 4.322 4.260 0.062 1
1 41 . 20 1 1 A 10 10 PRO HA H 430 4.351 4.358 -0.007 1
1 48 . 20 1 1 A 11 11 VAL H H 431 8.213 7.918 0.295 1
1 49 . 20 1 1 A 11 11 VAL HA H 431 4.019 4.335 -0.316 1
1 54 . 20 1 1 A 12 12 THR H H 432 8.064 7.955 0.109 1
1 55 . 20 1 1 A 12 12 THR HA H 432 4.222 4.226 -0.004 1
1 60 . 20 1 1 A 13 13 GLN H H 433 8.337 7.722 0.615 1
1 61 . 20 1 1 A 13 13 GLN HA H 433 4.333 4.720 -0.387 1
1 68 . 20 1 1 A 14 14 THR H H 434 8.134 8.813 -0.679 1
1 69 . 20 1 1 A 14 14 THR HA H 434 4.198 4.617 -0.419 1
1 74 . 20 1 1 A 15 15 GLN H H 435 8.373 8.825 -0.452 1
1 75 . 20 1 1 A 15 15 GLN HA H 435 4.332 4.134 0.198 1
1 82 . 20 1 1 A 16 16 THR H H 436 8.127 7.596 0.531 1
1 83 . 20 1 1 A 16 16 THR HA H 436 4.207 4.345 -0.138 1
1 88 . 20 1 1 A 17 17 ALA H H 437 8.306 8.836 -0.530 1
1 89 . 20 1 1 A 17 17 ALA HA H 437 4.239 4.083 0.156 1
1 93 . 20 1 1 A 18 18 GLY H H 438 8.285 8.149 0.136 1
1 94 . 20 1 1 A 18 18 GLY HA2 H 438 3.839 3.772 0.067 1
1 95 . 20 1 1 A 18 18 GLY HA3 H 438 3.839 3.772 0.067 1
1 96 . 20 1 1 A 19 19 ALA H H 439 8.056 7.892 0.164 1
1 97 . 20 1 1 A 19 19 ALA HA H 439 4.227 3.974 0.253 1
1 101 . 20 1 1 A 20 20 ASP H H 440 8.325 8.226 0.099 1
1 102 . 20 1 1 A 20 20 ASP HA H 440 4.567 4.582 -0.015 1
1 105 . 20 1 1 A 21 21 THR H H 441 8.067 9.150 -1.083 1
1 106 . 20 1 1 A 21 21 THR HA H 441 4.300 4.032 0.268 1
1 111 . 20 1 1 A 22 22 THR H H 442 8.131 8.255 -0.124 1
1 112 . 20 1 1 A 22 22 THR HA H 442 4.176 4.330 -0.154 1
1 117 . 20 1 1 A 23 23 ALA H H 443 8.147 8.563 -0.416 1
1 118 . 20 1 1 A 23 23 ALA HA H 443 4.179 4.419 -0.240 1
1 122 . 20 1 1 A 24 24 GLU H H 444 8.193 8.047 0.146 1
1 123 . 20 1 1 A 24 24 GLU HA H 444 4.206 3.978 0.228 1
1 128 . 20 1 1 A 25 25 LYS H H 445 8.525 7.977 0.548 1
1 129 . 20 1 1 A 25 25 LYS HA H 445 4.088 3.984 0.104 1
1 138 . 20 1 1 A 26 26 CYS H H 446 8.624 7.906 0.718 1
1 139 . 20 1 1 A 26 26 CYS HA H 446 4.560 4.487 0.073 1
1 142 . 20 1 1 A 27 27 LYS H H 447 7.925 7.854 0.071 1
1 143 . 20 1 1 A 27 27 LYS HA H 447 4.019 4.435 -0.416 1
1 152 . 20 1 1 A 28 28 GLY H H 448 8.873 8.823 0.050 1
1 153 . 20 1 1 A 28 28 GLY HA2 H 448 4.094 4.012 0.082 1
1 154 . 20 1 1 A 28 28 GLY HA3 H 448 3.665 4.013 -0.348 1
1 155 . 20 1 1 A 29 29 LYS H H 449 7.462 7.677 -0.215 1
1 156 . 20 1 1 A 29 29 LYS HA H 449 4.220 4.427 -0.207 1
1 165 . 20 1 1 A 30 30 GLY H H 450 8.669 8.549 0.120 1
1 166 . 20 1 1 A 30 30 GLY HA2 H 450 4.212 4.133 0.079 1
1 167 . 20 1 1 A 30 30 GLY HA3 H 450 3.563 4.267 -0.704 1
1 168 . 20 1 1 A 31 31 GLU H H 451 7.724 8.926 -1.202 1
1 169 . 20 1 1 A 31 31 GLU HA H 451 1.968 2.960 -0.992 1
1 174 . 20 1 1 A 32 32 LYS H H 452 8.012 8.082 -0.070 1
1 175 . 20 1 1 A 32 32 LYS HA H 452 3.712 4.194 -0.482 1
1 184 . 20 1 1 A 33 33 ASP H H 453 7.057 7.727 -0.670 1
1 185 . 20 1 1 A 33 33 ASP HA H 453 4.678 4.795 -0.117 1
1 188 . 20 1 1 A 34 34 CYS H H 454 7.329 8.732 -1.403 1
1 189 . 20 1 1 A 34 34 CYS HA H 454 4.350 4.491 -0.141 1
1 192 . 20 1 1 A 35 35 LYS H H 455 7.892 9.021 -1.129 1
1 193 . 20 1 1 A 35 35 LYS HA H 455 4.457 4.467 -0.010 1
1 202 . 20 1 1 A 36 36 SER H H 456 8.470 9.034 -0.564 1
1 203 . 20 1 1 A 36 36 SER HA H 456 4.624 4.681 -0.057 1
1 206 . 20 1 1 A 37 37 PRO HA H 457 4.723 4.343 0.380 1
1 213 . 20 1 1 A 38 38 ASP H H 458 8.115 8.320 -0.205 1
1 214 . 20 1 1 A 38 38 ASP HA H 458 4.230 4.445 -0.215 1
1 217 . 20 1 1 A 39 39 CYS H H 459 7.993 8.433 -0.440 1
1 218 . 20 1 1 A 39 39 CYS HA H 459 5.259 4.982 0.277 1
1 221 . 20 1 1 A 40 40 LYS H H 460 9.018 8.140 0.878 1
1 222 . 20 1 1 A 40 40 LYS HA H 460 4.441 4.404 0.037 1
1 231 . 20 1 1 A 41 41 TRP H H 461 8.511 8.898 -0.387 1
1 232 . 20 1 1 A 41 41 TRP HA H 461 5.205 4.918 0.287 1
1 241 . 20 1 1 A 42 42 GLU H H 462 8.310 8.795 -0.485 1
1 242 . 20 1 1 A 42 42 GLU HA H 462 4.308 4.532 -0.224 1
1 247 . 20 1 1 A 43 43 GLY H H 463 8.730 9.189 -0.459 1
1 248 . 20 1 1 A 43 43 GLY HA2 H 463 3.569 3.709 -0.140 1
1 249 . 20 1 1 A 43 43 GLY HA3 H 463 3.569 3.742 -0.173 1
1 250 . 20 1 1 A 44 44 GLY H H 464 7.730 8.432 -0.702 1
1 251 . 20 1 1 A 44 44 GLY HA2 H 464 3.713 3.805 -0.092 1
1 252 . 20 1 1 A 44 44 GLY HA3 H 464 3.139 3.843 -0.704 1
1 253 . 20 1 1 A 45 45 THR H H 465 6.343 6.680 -0.337 1
1 254 . 20 1 1 A 45 45 THR HA H 465 3.821 3.902 -0.081 1
1 259 . 20 1 1 A 46 46 CYS H H 466 8.406 8.490 -0.084 1
1 260 . 20 1 1 A 46 46 CYS HA H 466 5.281 5.267 0.014 1
1 263 . 20 1 1 A 47 47 LYS H H 467 9.363 9.248 0.115 1
1 264 . 20 1 1 A 47 47 LYS HA H 467 4.547 4.891 -0.344 1
1 1 . 21 1 1 A 3 3 LYS H H 423 8.388 8.520 -0.132 1
1 2 . 21 1 1 A 3 3 LYS HA H 423 4.225 4.183 0.042 1
1 11 . 21 1 1 A 5 5 SER H H 425 8.220 8.692 -0.472 1
1 12 . 21 1 1 A 5 5 SER HA H 425 4.336 4.272 0.064 1
1 15 . 21 1 1 A 6 6 LYS H H 426 8.327 7.588 0.739 1
1 16 . 21 1 1 A 6 6 LYS HA H 426 4.269 4.835 -0.566 1
1 25 . 21 1 1 A 7 7 SER H H 427 8.235 8.806 -0.571 1
1 26 . 21 1 1 A 7 7 SER HA H 427 4.343 4.814 -0.471 1
1 29 . 21 1 1 A 8 8 GLY H H 428 8.297 8.145 0.152 1
1 30 . 21 1 1 A 8 8 GLY HA2 H 428 3.857 3.981 -0.124 1
1 31 . 21 1 1 A 8 8 GLY HA3 H 428 3.857 3.981 -0.124 1
1 32 . 21 1 1 A 9 9 VAL H H 429 7.813 8.367 -0.554 1
1 33 . 21 1 1 A 9 9 VAL HA H 429 4.322 4.719 -0.397 1
1 41 . 21 1 1 A 10 10 PRO HA H 430 4.351 4.344 0.007 1
1 48 . 21 1 1 A 11 11 VAL H H 431 8.213 7.939 0.274 1
1 49 . 21 1 1 A 11 11 VAL HA H 431 4.019 3.770 0.249 1
1 54 . 21 1 1 A 12 12 THR H H 432 8.064 8.192 -0.128 1
1 55 . 21 1 1 A 12 12 THR HA H 432 4.222 4.453 -0.231 1
1 60 . 21 1 1 A 13 13 GLN H H 433 8.337 7.621 0.716 1
1 61 . 21 1 1 A 13 13 GLN HA H 433 4.333 4.759 -0.426 1
1 68 . 21 1 1 A 14 14 THR H H 434 8.134 8.736 -0.602 1
1 69 . 21 1 1 A 14 14 THR HA H 434 4.198 4.845 -0.647 1
1 74 . 21 1 1 A 15 15 GLN H H 435 8.373 8.562 -0.189 1
1 75 . 21 1 1 A 15 15 GLN HA H 435 4.332 4.840 -0.508 1
1 82 . 21 1 1 A 16 16 THR H H 436 8.127 8.952 -0.825 1
1 83 . 21 1 1 A 16 16 THR HA H 436 4.207 4.203 0.004 1
1 88 . 21 1 1 A 17 17 ALA H H 437 8.306 8.596 -0.290 1
1 89 . 21 1 1 A 17 17 ALA HA H 437 4.239 4.202 0.037 1
1 93 . 21 1 1 A 18 18 GLY H H 438 8.285 7.445 0.840 1
1 94 . 21 1 1 A 18 18 GLY HA2 H 438 3.839 4.126 -0.287 1
1 95 . 21 1 1 A 18 18 GLY HA3 H 438 3.839 4.126 -0.287 1
1 96 . 21 1 1 A 19 19 ALA H H 439 8.056 8.064 -0.008 1
1 97 . 21 1 1 A 19 19 ALA HA H 439 4.227 4.573 -0.346 1
1 101 . 21 1 1 A 20 20 ASP H H 440 8.325 7.684 0.641 1
1 102 . 21 1 1 A 20 20 ASP HA H 440 4.567 4.713 -0.146 1
1 105 . 21 1 1 A 21 21 THR H H 441 8.067 8.717 -0.650 1
1 106 . 21 1 1 A 21 21 THR HA H 441 4.300 3.908 0.392 1
1 111 . 21 1 1 A 22 22 THR H H 442 8.131 8.383 -0.252 1
1 112 . 21 1 1 A 22 22 THR HA H 442 4.176 4.475 -0.299 1
1 117 . 21 1 1 A 23 23 ALA H H 443 8.147 8.250 -0.103 1
1 118 . 21 1 1 A 23 23 ALA HA H 443 4.179 4.304 -0.125 1
1 122 . 21 1 1 A 24 24 GLU H H 444 8.193 8.752 -0.559 1
1 123 . 21 1 1 A 24 24 GLU HA H 444 4.206 4.316 -0.110 1
1 128 . 21 1 1 A 25 25 LYS H H 445 8.525 9.099 -0.574 1
1 129 . 21 1 1 A 25 25 LYS HA H 445 4.088 4.507 -0.419 1
1 138 . 21 1 1 A 26 26 CYS H H 446 8.624 8.286 0.338 1
1 139 . 21 1 1 A 26 26 CYS HA H 446 4.560 4.676 -0.116 1
1 142 . 21 1 1 A 27 27 LYS H H 447 7.925 7.795 0.130 1
1 143 . 21 1 1 A 27 27 LYS HA H 447 4.019 4.282 -0.263 1
1 152 . 21 1 1 A 28 28 GLY H H 448 8.873 9.043 -0.170 1
1 153 . 21 1 1 A 28 28 GLY HA2 H 448 4.094 3.987 0.107 1
1 154 . 21 1 1 A 28 28 GLY HA3 H 448 3.665 3.999 -0.334 1
1 155 . 21 1 1 A 29 29 LYS H H 449 7.462 8.457 -0.995 1
1 156 . 21 1 1 A 29 29 LYS HA H 449 4.220 4.523 -0.303 1
1 165 . 21 1 1 A 30 30 GLY H H 450 8.669 7.694 0.975 1
1 166 . 21 1 1 A 30 30 GLY HA2 H 450 4.212 4.156 0.056 1
1 167 . 21 1 1 A 30 30 GLY HA3 H 450 3.563 4.302 -0.739 1
1 168 . 21 1 1 A 31 31 GLU H H 451 7.724 8.696 -0.972 1
1 169 . 21 1 1 A 31 31 GLU HA H 451 1.968 2.486 -0.518 1
1 174 . 21 1 1 A 32 32 LYS H H 452 8.012 7.984 0.028 1
1 175 . 21 1 1 A 32 32 LYS HA H 452 3.712 3.933 -0.221 1
1 184 . 21 1 1 A 33 33 ASP H H 453 7.057 7.893 -0.836 1
1 185 . 21 1 1 A 33 33 ASP HA H 453 4.678 4.415 0.263 1
1 188 . 21 1 1 A 34 34 CYS H H 454 7.329 8.226 -0.897 1
1 189 . 21 1 1 A 34 34 CYS HA H 454 4.350 4.476 -0.126 1
1 192 . 21 1 1 A 35 35 LYS H H 455 7.892 8.635 -0.743 1
1 193 . 21 1 1 A 35 35 LYS HA H 455 4.457 4.250 0.207 1
1 202 . 21 1 1 A 36 36 SER H H 456 8.470 9.055 -0.585 1
1 203 . 21 1 1 A 36 36 SER HA H 456 4.624 4.295 0.329 1
1 206 . 21 1 1 A 37 37 PRO HA H 457 4.723 4.338 0.385 1
1 213 . 21 1 1 A 38 38 ASP H H 458 8.115 8.469 -0.354 1
1 214 . 21 1 1 A 38 38 ASP HA H 458 4.230 4.568 -0.338 1
1 217 . 21 1 1 A 39 39 CYS H H 459 7.993 8.064 -0.071 1
1 218 . 21 1 1 A 39 39 CYS HA H 459 5.259 5.053 0.206 1
1 221 . 21 1 1 A 40 40 LYS H H 460 9.018 8.293 0.725 1
1 222 . 21 1 1 A 40 40 LYS HA H 460 4.441 4.707 -0.266 1
1 231 . 21 1 1 A 41 41 TRP H H 461 8.511 8.768 -0.257 1
1 232 . 21 1 1 A 41 41 TRP HA H 461 5.205 5.568 -0.363 1
1 241 . 21 1 1 A 42 42 GLU H H 462 8.310 8.629 -0.319 1
1 242 . 21 1 1 A 42 42 GLU HA H 462 4.308 4.482 -0.174 1
1 247 . 21 1 1 A 43 43 GLY H H 463 8.730 9.156 -0.426 1
1 248 . 21 1 1 A 43 43 GLY HA2 H 463 3.569 3.706 -0.137 1
1 249 . 21 1 1 A 43 43 GLY HA3 H 463 3.569 3.740 -0.171 1
1 250 . 21 1 1 A 44 44 GLY H H 464 7.730 8.413 -0.683 1
1 251 . 21 1 1 A 44 44 GLY HA2 H 464 3.713 3.829 -0.116 1
1 252 . 21 1 1 A 44 44 GLY HA3 H 464 3.139 3.844 -0.705 1
1 253 . 21 1 1 A 45 45 THR H H 465 6.343 6.661 -0.318 1
1 254 . 21 1 1 A 45 45 THR HA H 465 3.821 3.964 -0.143 1
1 259 . 21 1 1 A 46 46 CYS H H 466 8.406 8.702 -0.296 1
1 260 . 21 1 1 A 46 46 CYS HA H 466 5.281 5.237 0.044 1
1 263 . 21 1 1 A 47 47 LYS H H 467 9.363 9.171 0.192 1
1 264 . 21 1 1 A 47 47 LYS HA H 467 4.547 5.013 -0.466 1
1 1 . 22 1 1 A 3 3 LYS H H 423 8.388 8.921 -0.533 1
1 2 . 22 1 1 A 3 3 LYS HA H 423 4.225 4.163 0.062 1
1 11 . 22 1 1 A 5 5 SER H H 425 8.220 7.990 0.230 1
1 12 . 22 1 1 A 5 5 SER HA H 425 4.336 4.643 -0.307 1
1 15 . 22 1 1 A 6 6 LYS H H 426 8.327 8.490 -0.163 1
1 16 . 22 1 1 A 6 6 LYS HA H 426 4.269 4.844 -0.575 1
1 25 . 22 1 1 A 7 7 SER H H 427 8.235 8.727 -0.492 1
1 26 . 22 1 1 A 7 7 SER HA H 427 4.343 4.170 0.173 1
1 29 . 22 1 1 A 8 8 GLY H H 428 8.297 8.089 0.208 1
1 30 . 22 1 1 A 8 8 GLY HA2 H 428 3.857 4.022 -0.165 1
1 31 . 22 1 1 A 8 8 GLY HA3 H 428 3.857 4.022 -0.165 1
1 32 . 22 1 1 A 9 9 VAL H H 429 7.813 8.724 -0.911 1
1 33 . 22 1 1 A 9 9 VAL HA H 429 4.322 4.113 0.209 1
1 41 . 22 1 1 A 10 10 PRO HA H 430 4.351 4.506 -0.155 1
1 48 . 22 1 1 A 11 11 VAL H H 431 8.213 8.332 -0.119 1
1 49 . 22 1 1 A 11 11 VAL HA H 431 4.019 4.087 -0.068 1
1 54 . 22 1 1 A 12 12 THR H H 432 8.064 8.578 -0.514 1
1 55 . 22 1 1 A 12 12 THR HA H 432 4.222 4.415 -0.193 1
1 60 . 22 1 1 A 13 13 GLN H H 433 8.337 8.582 -0.245 1
1 61 . 22 1 1 A 13 13 GLN HA H 433 4.333 4.549 -0.216 1
1 68 . 22 1 1 A 14 14 THR H H 434 8.134 8.331 -0.197 1
1 69 . 22 1 1 A 14 14 THR HA H 434 4.198 4.230 -0.032 1
1 74 . 22 1 1 A 15 15 GLN H H 435 8.373 8.794 -0.421 1
1 75 . 22 1 1 A 15 15 GLN HA H 435 4.332 4.946 -0.614 1
1 82 . 22 1 1 A 16 16 THR H H 436 8.127 9.307 -1.180 1
1 83 . 22 1 1 A 16 16 THR HA H 436 4.207 4.379 -0.172 1
1 88 . 22 1 1 A 17 17 ALA H H 437 8.306 7.328 0.978 1
1 89 . 22 1 1 A 17 17 ALA HA H 437 4.239 4.351 -0.112 1
1 93 . 22 1 1 A 18 18 GLY H H 438 8.285 7.579 0.706 1
1 94 . 22 1 1 A 18 18 GLY HA2 H 438 3.839 4.093 -0.254 1
1 95 . 22 1 1 A 18 18 GLY HA3 H 438 3.839 4.093 -0.254 1
1 96 . 22 1 1 A 19 19 ALA H H 439 8.056 7.578 0.478 1
1 97 . 22 1 1 A 19 19 ALA HA H 439 4.227 4.555 -0.328 1
1 101 . 22 1 1 A 20 20 ASP H H 440 8.325 8.399 -0.074 1
1 102 . 22 1 1 A 20 20 ASP HA H 440 4.567 4.628 -0.061 1
1 105 . 22 1 1 A 21 21 THR H H 441 8.067 8.100 -0.033 1
1 106 . 22 1 1 A 21 21 THR HA H 441 4.300 4.283 0.017 1
1 111 . 22 1 1 A 22 22 THR H H 442 8.131 8.004 0.127 1
1 112 . 22 1 1 A 22 22 THR HA H 442 4.176 4.011 0.165 1
1 117 . 22 1 1 A 23 23 ALA H H 443 8.147 7.822 0.325 1
1 118 . 22 1 1 A 23 23 ALA HA H 443 4.179 4.375 -0.196 1
1 122 . 22 1 1 A 24 24 GLU H H 444 8.193 7.968 0.225 1
1 123 . 22 1 1 A 24 24 GLU HA H 444 4.206 4.010 0.196 1
1 128 . 22 1 1 A 25 25 LYS H H 445 8.525 8.192 0.333 1
1 129 . 22 1 1 A 25 25 LYS HA H 445 4.088 3.903 0.185 1
1 138 . 22 1 1 A 26 26 CYS H H 446 8.624 7.999 0.625 1
1 139 . 22 1 1 A 26 26 CYS HA H 446 4.560 4.669 -0.109 1
1 142 . 22 1 1 A 27 27 LYS H H 447 7.925 7.807 0.118 1
1 143 . 22 1 1 A 27 27 LYS HA H 447 4.019 3.924 0.095 1
1 152 . 22 1 1 A 28 28 GLY H H 448 8.873 8.771 0.102 1
1 153 . 22 1 1 A 28 28 GLY HA2 H 448 4.094 4.015 0.079 1
1 154 . 22 1 1 A 28 28 GLY HA3 H 448 3.665 4.018 -0.353 1
1 155 . 22 1 1 A 29 29 LYS H H 449 7.462 7.510 -0.048 1
1 156 . 22 1 1 A 29 29 LYS HA H 449 4.220 4.762 -0.542 1
1 165 . 22 1 1 A 30 30 GLY H H 450 8.669 8.648 0.021 1
1 166 . 22 1 1 A 30 30 GLY HA2 H 450 4.212 4.470 -0.258 1
1 167 . 22 1 1 A 30 30 GLY HA3 H 450 3.563 4.609 -1.046 1
1 168 . 22 1 1 A 31 31 GLU H H 451 7.724 8.889 -1.165 1
1 169 . 22 1 1 A 31 31 GLU HA H 451 1.968 2.881 -0.913 1
1 174 . 22 1 1 A 32 32 LYS H H 452 8.012 7.792 0.220 1
1 175 . 22 1 1 A 32 32 LYS HA H 452 3.712 3.965 -0.253 1
1 184 . 22 1 1 A 33 33 ASP H H 453 7.057 7.841 -0.784 1
1 185 . 22 1 1 A 33 33 ASP HA H 453 4.678 4.273 0.405 1
1 188 . 22 1 1 A 34 34 CYS H H 454 7.329 8.687 -1.358 1
1 189 . 22 1 1 A 34 34 CYS HA H 454 4.350 4.762 -0.412 1
1 192 . 22 1 1 A 35 35 LYS H H 455 7.892 8.017 -0.125 1
1 193 . 22 1 1 A 35 35 LYS HA H 455 4.457 4.239 0.218 1
1 202 . 22 1 1 A 36 36 SER H H 456 8.470 8.995 -0.525 1
1 203 . 22 1 1 A 36 36 SER HA H 456 4.624 4.776 -0.152 1
1 206 . 22 1 1 A 37 37 PRO HA H 457 4.723 4.303 0.420 1
1 213 . 22 1 1 A 38 38 ASP H H 458 8.115 8.005 0.110 1
1 214 . 22 1 1 A 38 38 ASP HA H 458 4.230 4.406 -0.176 1
1 217 . 22 1 1 A 39 39 CYS H H 459 7.993 8.396 -0.403 1
1 218 . 22 1 1 A 39 39 CYS HA H 459 5.259 5.028 0.231 1
1 221 . 22 1 1 A 40 40 LYS H H 460 9.018 8.529 0.489 1
1 222 . 22 1 1 A 40 40 LYS HA H 460 4.441 4.534 -0.093 1
1 231 . 22 1 1 A 41 41 TRP H H 461 8.511 8.474 0.037 1
1 232 . 22 1 1 A 41 41 TRP HA H 461 5.205 5.300 -0.095 1
1 241 . 22 1 1 A 42 42 GLU H H 462 8.310 8.378 -0.068 1
1 242 . 22 1 1 A 42 42 GLU HA H 462 4.308 4.318 -0.010 1
1 247 . 22 1 1 A 43 43 GLY H H 463 8.730 6.922 1.808 1
1 248 . 22 1 1 A 43 43 GLY HA2 H 463 3.569 3.952 -0.383 1
1 249 . 22 1 1 A 43 43 GLY HA3 H 463 3.569 3.961 -0.392 1
1 250 . 22 1 1 A 44 44 GLY H H 464 7.730 8.449 -0.719 1
1 251 . 22 1 1 A 44 44 GLY HA2 H 464 3.713 3.908 -0.195 1
1 252 . 22 1 1 A 44 44 GLY HA3 H 464 3.139 4.078 -0.939 1
1 253 . 22 1 1 A 45 45 THR H H 465 6.343 6.673 -0.330 1
1 254 . 22 1 1 A 45 45 THR HA H 465 3.821 4.319 -0.498 1
1 259 . 22 1 1 A 46 46 CYS H H 466 8.406 8.548 -0.142 1
1 260 . 22 1 1 A 46 46 CYS HA H 466 5.281 4.818 0.463 1
1 263 . 22 1 1 A 47 47 LYS H H 467 9.363 9.111 0.252 1
1 264 . 22 1 1 A 47 47 LYS HA H 467 4.547 4.821 -0.274 1
1 1 . 23 1 1 A 3 3 LYS H H 423 8.388 7.954 0.434 1
1 2 . 23 1 1 A 3 3 LYS HA H 423 4.225 4.068 0.157 1
1 11 . 23 1 1 A 5 5 SER H H 425 8.220 8.482 -0.262 1
1 12 . 23 1 1 A 5 5 SER HA H 425 4.336 4.086 0.250 1
1 15 . 23 1 1 A 6 6 LYS H H 426 8.327 8.083 0.244 1
1 16 . 23 1 1 A 6 6 LYS HA H 426 4.269 4.197 0.072 1
1 25 . 23 1 1 A 7 7 SER H H 427 8.235 8.894 -0.659 1
1 26 . 23 1 1 A 7 7 SER HA H 427 4.343 4.630 -0.287 1
1 29 . 23 1 1 A 8 8 GLY H H 428 8.297 8.207 0.090 1
1 30 . 23 1 1 A 8 8 GLY HA2 H 428 3.857 3.965 -0.108 1
1 31 . 23 1 1 A 8 8 GLY HA3 H 428 3.857 3.965 -0.108 1
1 32 . 23 1 1 A 9 9 VAL H H 429 7.813 8.397 -0.584 1
1 33 . 23 1 1 A 9 9 VAL HA H 429 4.322 3.841 0.481 1
1 41 . 23 1 1 A 10 10 PRO HA H 430 4.351 4.562 -0.211 1
1 48 . 23 1 1 A 11 11 VAL H H 431 8.213 7.677 0.536 1
1 49 . 23 1 1 A 11 11 VAL HA H 431 4.019 4.176 -0.157 1
1 54 . 23 1 1 A 12 12 THR H H 432 8.064 8.756 -0.692 1
1 55 . 23 1 1 A 12 12 THR HA H 432 4.222 4.795 -0.573 1
1 60 . 23 1 1 A 13 13 GLN H H 433 8.337 7.908 0.429 1
1 61 . 23 1 1 A 13 13 GLN HA H 433 4.333 4.031 0.302 1
1 68 . 23 1 1 A 14 14 THR H H 434 8.134 7.592 0.542 1
1 69 . 23 1 1 A 14 14 THR HA H 434 4.198 4.384 -0.186 1
1 74 . 23 1 1 A 15 15 GLN H H 435 8.373 7.418 0.955 1
1 75 . 23 1 1 A 15 15 GLN HA H 435 4.332 4.364 -0.032 1
1 82 . 23 1 1 A 16 16 THR H H 436 8.127 8.682 -0.555 1
1 83 . 23 1 1 A 16 16 THR HA H 436 4.207 4.726 -0.519 1
1 88 . 23 1 1 A 17 17 ALA H H 437 8.306 8.691 -0.385 1
1 89 . 23 1 1 A 17 17 ALA HA H 437 4.239 4.504 -0.265 1
1 93 . 23 1 1 A 18 18 GLY H H 438 8.285 8.238 0.047 1
1 94 . 23 1 1 A 18 18 GLY HA2 H 438 3.839 4.213 -0.374 1
1 95 . 23 1 1 A 18 18 GLY HA3 H 438 3.839 4.213 -0.374 1
1 96 . 23 1 1 A 19 19 ALA H H 439 8.056 8.507 -0.451 1
1 97 . 23 1 1 A 19 19 ALA HA H 439 4.227 3.850 0.377 1
1 101 . 23 1 1 A 20 20 ASP H H 440 8.325 7.887 0.438 1
1 102 . 23 1 1 A 20 20 ASP HA H 440 4.567 4.841 -0.274 1
1 105 . 23 1 1 A 21 21 THR H H 441 8.067 8.610 -0.543 1
1 106 . 23 1 1 A 21 21 THR HA H 441 4.300 4.319 -0.019 1
1 111 . 23 1 1 A 22 22 THR H H 442 8.131 7.867 0.264 1
1 112 . 23 1 1 A 22 22 THR HA H 442 4.176 3.817 0.359 1
1 117 . 23 1 1 A 23 23 ALA H H 443 8.147 8.173 -0.026 1
1 118 . 23 1 1 A 23 23 ALA HA H 443 4.179 4.061 0.118 1
1 122 . 23 1 1 A 24 24 GLU H H 444 8.193 8.483 -0.290 1
1 123 . 23 1 1 A 24 24 GLU HA H 444 4.206 4.067 0.139 1
1 128 . 23 1 1 A 25 25 LYS H H 445 8.525 7.769 0.756 1
1 129 . 23 1 1 A 25 25 LYS HA H 445 4.088 3.925 0.163 1
1 138 . 23 1 1 A 26 26 CYS H H 446 8.624 7.978 0.646 1
1 139 . 23 1 1 A 26 26 CYS HA H 446 4.560 4.695 -0.135 1
1 142 . 23 1 1 A 27 27 LYS H H 447 7.925 7.630 0.295 1
1 143 . 23 1 1 A 27 27 LYS HA H 447 4.019 4.689 -0.670 1
1 152 . 23 1 1 A 28 28 GLY H H 448 8.873 8.613 0.260 1
1 153 . 23 1 1 A 28 28 GLY HA2 H 448 4.094 4.025 0.069 1
1 154 . 23 1 1 A 28 28 GLY HA3 H 448 3.665 4.036 -0.371 1
1 155 . 23 1 1 A 29 29 LYS H H 449 7.462 8.167 -0.705 1
1 156 . 23 1 1 A 29 29 LYS HA H 449 4.220 4.387 -0.167 1
1 165 . 23 1 1 A 30 30 GLY H H 450 8.669 8.556 0.113 1
1 166 . 23 1 1 A 30 30 GLY HA2 H 450 4.212 4.169 0.043 1
1 167 . 23 1 1 A 30 30 GLY HA3 H 450 3.563 4.315 -0.752 1
1 168 . 23 1 1 A 31 31 GLU H H 451 7.724 8.858 -1.134 1
1 169 . 23 1 1 A 31 31 GLU HA H 451 1.968 2.905 -0.937 1
1 174 . 23 1 1 A 32 32 LYS H H 452 8.012 7.695 0.317 1
1 175 . 23 1 1 A 32 32 LYS HA H 452 3.712 3.980 -0.268 1
1 184 . 23 1 1 A 33 33 ASP H H 453 7.057 7.997 -0.940 1
1 185 . 23 1 1 A 33 33 ASP HA H 453 4.678 4.388 0.290 1
1 188 . 23 1 1 A 34 34 CYS H H 454 7.329 8.330 -1.001 1
1 189 . 23 1 1 A 34 34 CYS HA H 454 4.350 4.506 -0.156 1
1 192 . 23 1 1 A 35 35 LYS H H 455 7.892 8.642 -0.750 1
1 193 . 23 1 1 A 35 35 LYS HA H 455 4.457 4.252 0.205 1
1 202 . 23 1 1 A 36 36 SER H H 456 8.470 9.049 -0.579 1
1 203 . 23 1 1 A 36 36 SER HA H 456 4.624 4.333 0.291 1
1 206 . 23 1 1 A 37 37 PRO HA H 457 4.723 4.329 0.394 1
1 213 . 23 1 1 A 38 38 ASP H H 458 8.115 8.464 -0.349 1
1 214 . 23 1 1 A 38 38 ASP HA H 458 4.230 4.382 -0.152 1
1 217 . 23 1 1 A 39 39 CYS H H 459 7.993 7.979 0.014 1
1 218 . 23 1 1 A 39 39 CYS HA H 459 5.259 5.038 0.221 1
1 221 . 23 1 1 A 40 40 LYS H H 460 9.018 8.080 0.938 1
1 222 . 23 1 1 A 40 40 LYS HA H 460 4.441 4.459 -0.018 1
1 231 . 23 1 1 A 41 41 TRP H H 461 8.511 8.738 -0.227 1
1 232 . 23 1 1 A 41 41 TRP HA H 461 5.205 5.060 0.145 1
1 241 . 23 1 1 A 42 42 GLU H H 462 8.310 8.815 -0.505 1
1 242 . 23 1 1 A 42 42 GLU HA H 462 4.308 4.343 -0.035 1
1 247 . 23 1 1 A 43 43 GLY H H 463 8.730 8.170 0.560 1
1 248 . 23 1 1 A 43 43 GLY HA2 H 463 3.569 3.833 -0.264 1
1 249 . 23 1 1 A 43 43 GLY HA3 H 463 3.569 3.959 -0.390 1
1 250 . 23 1 1 A 44 44 GLY H H 464 7.730 7.379 0.351 1
1 251 . 23 1 1 A 44 44 GLY HA2 H 464 3.713 3.882 -0.169 1
1 252 . 23 1 1 A 44 44 GLY HA3 H 464 3.139 4.020 -0.881 1
1 253 . 23 1 1 A 45 45 THR H H 465 6.343 7.261 -0.918 1
1 254 . 23 1 1 A 45 45 THR HA H 465 3.821 4.212 -0.391 1
1 259 . 23 1 1 A 46 46 CYS H H 466 8.406 8.632 -0.226 1
1 260 . 23 1 1 A 46 46 CYS HA H 466 5.281 4.906 0.375 1
1 263 . 23 1 1 A 47 47 LYS H H 467 9.363 8.999 0.364 1
1 264 . 23 1 1 A 47 47 LYS HA H 467 4.547 5.007 -0.460 1
1 1 . 24 1 1 A 3 3 LYS H H 423 8.388 8.455 -0.067 1
1 2 . 24 1 1 A 3 3 LYS HA H 423 4.225 4.539 -0.314 1
1 11 . 24 1 1 A 5 5 SER H H 425 8.220 8.255 -0.035 1
1 12 . 24 1 1 A 5 5 SER HA H 425 4.336 4.787 -0.451 1
1 15 . 24 1 1 A 6 6 LYS H H 426 8.327 8.431 -0.104 1
1 16 . 24 1 1 A 6 6 LYS HA H 426 4.269 3.951 0.318 1
1 25 . 24 1 1 A 7 7 SER H H 427 8.235 8.585 -0.350 1
1 26 . 24 1 1 A 7 7 SER HA H 427 4.343 4.595 -0.252 1
1 29 . 24 1 1 A 8 8 GLY H H 428 8.297 8.381 -0.084 1
1 30 . 24 1 1 A 8 8 GLY HA2 H 428 3.857 3.829 0.028 1
1 31 . 24 1 1 A 8 8 GLY HA3 H 428 3.857 3.829 0.028 1
1 32 . 24 1 1 A 9 9 VAL H H 429 7.813 8.762 -0.949 1
1 33 . 24 1 1 A 9 9 VAL HA H 429 4.322 3.623 0.699 1
1 41 . 24 1 1 A 10 10 PRO HA H 430 4.351 4.455 -0.104 1
1 48 . 24 1 1 A 11 11 VAL H H 431 8.213 8.298 -0.085 1
1 49 . 24 1 1 A 11 11 VAL HA H 431 4.019 4.589 -0.570 1
1 54 . 24 1 1 A 12 12 THR H H 432 8.064 8.892 -0.828 1
1 55 . 24 1 1 A 12 12 THR HA H 432 4.222 4.582 -0.360 1
1 60 . 24 1 1 A 13 13 GLN H H 433 8.337 8.774 -0.437 1
1 61 . 24 1 1 A 13 13 GLN HA H 433 4.333 4.442 -0.109 1
1 68 . 24 1 1 A 14 14 THR H H 434 8.134 8.738 -0.604 1
1 69 . 24 1 1 A 14 14 THR HA H 434 4.198 4.074 0.124 1
1 74 . 24 1 1 A 15 15 GLN H H 435 8.373 8.531 -0.158 1
1 75 . 24 1 1 A 15 15 GLN HA H 435 4.332 4.180 0.152 1
1 82 . 24 1 1 A 16 16 THR H H 436 8.127 7.868 0.259 1
1 83 . 24 1 1 A 16 16 THR HA H 436 4.207 4.563 -0.356 1
1 88 . 24 1 1 A 17 17 ALA H H 437 8.306 8.618 -0.312 1
1 89 . 24 1 1 A 17 17 ALA HA H 437 4.239 3.907 0.332 1
1 93 . 24 1 1 A 18 18 GLY H H 438 8.285 8.349 -0.064 1
1 94 . 24 1 1 A 18 18 GLY HA2 H 438 3.839 4.222 -0.383 1
1 95 . 24 1 1 A 18 18 GLY HA3 H 438 3.839 4.222 -0.383 1
1 96 . 24 1 1 A 19 19 ALA H H 439 8.056 8.604 -0.548 1
1 97 . 24 1 1 A 19 19 ALA HA H 439 4.227 3.891 0.336 1
1 101 . 24 1 1 A 20 20 ASP H H 440 8.325 7.946 0.379 1
1 102 . 24 1 1 A 20 20 ASP HA H 440 4.567 4.618 -0.051 1
1 105 . 24 1 1 A 21 21 THR H H 441 8.067 8.620 -0.553 1
1 106 . 24 1 1 A 21 21 THR HA H 441 4.300 4.449 -0.149 1
1 111 . 24 1 1 A 22 22 THR H H 442 8.131 7.843 0.288 1
1 112 . 24 1 1 A 22 22 THR HA H 442 4.176 4.594 -0.418 1
1 117 . 24 1 1 A 23 23 ALA H H 443 8.147 8.962 -0.815 1
1 118 . 24 1 1 A 23 23 ALA HA H 443 4.179 4.112 0.067 1
1 122 . 24 1 1 A 24 24 GLU H H 444 8.193 7.924 0.269 1
1 123 . 24 1 1 A 24 24 GLU HA H 444 4.206 4.408 -0.202 1
1 128 . 24 1 1 A 25 25 LYS H H 445 8.525 8.205 0.320 1
1 129 . 24 1 1 A 25 25 LYS HA H 445 4.088 3.860 0.228 1
1 138 . 24 1 1 A 26 26 CYS H H 446 8.624 8.357 0.267 1
1 139 . 24 1 1 A 26 26 CYS HA H 446 4.560 4.247 0.313 1
1 142 . 24 1 1 A 27 27 LYS H H 447 7.925 7.794 0.131 1
1 143 . 24 1 1 A 27 27 LYS HA H 447 4.019 4.436 -0.417 1
1 152 . 24 1 1 A 28 28 GLY H H 448 8.873 8.864 0.009 1
1 153 . 24 1 1 A 28 28 GLY HA2 H 448 4.094 3.922 0.172 1
1 154 . 24 1 1 A 28 28 GLY HA3 H 448 3.665 3.932 -0.267 1
1 155 . 24 1 1 A 29 29 LYS H H 449 7.462 7.765 -0.303 1
1 156 . 24 1 1 A 29 29 LYS HA H 449 4.220 4.363 -0.143 1
1 165 . 24 1 1 A 30 30 GLY H H 450 8.669 7.842 0.827 1
1 166 . 24 1 1 A 30 30 GLY HA2 H 450 4.212 4.125 0.087 1
1 167 . 24 1 1 A 30 30 GLY HA3 H 450 3.563 4.300 -0.737 1
1 168 . 24 1 1 A 31 31 GLU H H 451 7.724 8.702 -0.978 1
1 169 . 24 1 1 A 31 31 GLU HA H 451 1.968 3.023 -1.055 1
1 174 . 24 1 1 A 32 32 LYS H H 452 8.012 8.062 -0.050 1
1 175 . 24 1 1 A 32 32 LYS HA H 452 3.712 4.212 -0.500 1
1 184 . 24 1 1 A 33 33 ASP H H 453 7.057 8.322 -1.265 1
1 185 . 24 1 1 A 33 33 ASP HA H 453 4.678 4.787 -0.109 1
1 188 . 24 1 1 A 34 34 CYS H H 454 7.329 8.128 -0.799 1
1 189 . 24 1 1 A 34 34 CYS HA H 454 4.350 4.451 -0.101 1
1 192 . 24 1 1 A 35 35 LYS H H 455 7.892 8.493 -0.601 1
1 193 . 24 1 1 A 35 35 LYS HA H 455 4.457 5.113 -0.656 1
1 202 . 24 1 1 A 36 36 SER H H 456 8.470 8.540 -0.070 1
1 203 . 24 1 1 A 36 36 SER HA H 456 4.624 4.926 -0.302 1
1 206 . 24 1 1 A 37 37 PRO HA H 457 4.723 4.522 0.201 1
1 213 . 24 1 1 A 38 38 ASP H H 458 8.115 8.182 -0.067 1
1 214 . 24 1 1 A 38 38 ASP HA H 458 4.230 4.663 -0.433 1
1 217 . 24 1 1 A 39 39 CYS H H 459 7.993 7.777 0.216 1
1 218 . 24 1 1 A 39 39 CYS HA H 459 5.259 4.671 0.588 1
1 221 . 24 1 1 A 40 40 LYS H H 460 9.018 8.827 0.191 1
1 222 . 24 1 1 A 40 40 LYS HA H 460 4.441 4.903 -0.462 1
1 231 . 24 1 1 A 41 41 TRP H H 461 8.511 9.005 -0.494 1
1 232 . 24 1 1 A 41 41 TRP HA H 461 5.205 4.796 0.409 1
1 241 . 24 1 1 A 42 42 GLU H H 462 8.310 8.879 -0.569 1
1 242 . 24 1 1 A 42 42 GLU HA H 462 4.308 4.498 -0.190 1
1 247 . 24 1 1 A 43 43 GLY H H 463 8.730 8.169 0.561 1
1 248 . 24 1 1 A 43 43 GLY HA2 H 463 3.569 3.847 -0.278 1
1 249 . 24 1 1 A 43 43 GLY HA3 H 463 3.569 3.948 -0.379 1
1 250 . 24 1 1 A 44 44 GLY H H 464 7.730 7.907 -0.177 1
1 251 . 24 1 1 A 44 44 GLY HA2 H 464 3.713 3.998 -0.285 1
1 252 . 24 1 1 A 44 44 GLY HA3 H 464 3.139 4.041 -0.902 1
1 253 . 24 1 1 A 45 45 THR H H 465 6.343 6.466 -0.123 1
1 254 . 24 1 1 A 45 45 THR HA H 465 3.821 4.258 -0.437 1
1 259 . 24 1 1 A 46 46 CYS H H 466 8.406 9.027 -0.621 1
1 260 . 24 1 1 A 46 46 CYS HA H 466 5.281 5.436 -0.155 1
1 263 . 24 1 1 A 47 47 LYS H H 467 9.363 9.010 0.353 1
1 264 . 24 1 1 A 47 47 LYS HA H 467 4.547 5.115 -0.568 1
1 1 . 25 1 1 A 3 3 LYS H H 423 8.388 7.538 0.850 1
1 2 . 25 1 1 A 3 3 LYS HA H 423 4.225 4.363 -0.138 1
1 11 . 25 1 1 A 5 5 SER H H 425 8.220 9.071 -0.851 1
1 12 . 25 1 1 A 5 5 SER HA H 425 4.336 4.229 0.107 1
1 15 . 25 1 1 A 6 6 LYS H H 426 8.327 8.372 -0.045 1
1 16 . 25 1 1 A 6 6 LYS HA H 426 4.269 4.323 -0.054 1
1 25 . 25 1 1 A 7 7 SER H H 427 8.235 8.022 0.213 1
1 26 . 25 1 1 A 7 7 SER HA H 427 4.343 4.517 -0.174 1
1 29 . 25 1 1 A 8 8 GLY H H 428 8.297 8.778 -0.481 1
1 30 . 25 1 1 A 8 8 GLY HA2 H 428 3.857 3.840 0.017 1
1 31 . 25 1 1 A 8 8 GLY HA3 H 428 3.857 3.840 0.017 1
1 32 . 25 1 1 A 9 9 VAL H H 429 7.813 7.944 -0.131 1
1 33 . 25 1 1 A 9 9 VAL HA H 429 4.322 4.646 -0.324 1
1 41 . 25 1 1 A 10 10 PRO HA H 430 4.351 4.579 -0.228 1
1 48 . 25 1 1 A 11 11 VAL H H 431 8.213 8.148 0.065 1
1 49 . 25 1 1 A 11 11 VAL HA H 431 4.019 4.272 -0.253 1
1 54 . 25 1 1 A 12 12 THR H H 432 8.064 9.025 -0.961 1
1 55 . 25 1 1 A 12 12 THR HA H 432 4.222 4.420 -0.198 1
1 60 . 25 1 1 A 13 13 GLN H H 433 8.337 7.715 0.622 1
1 61 . 25 1 1 A 13 13 GLN HA H 433 4.333 4.726 -0.393 1
1 68 . 25 1 1 A 14 14 THR H H 434 8.134 8.755 -0.621 1
1 69 . 25 1 1 A 14 14 THR HA H 434 4.198 4.446 -0.248 1
1 74 . 25 1 1 A 15 15 GLN H H 435 8.373 8.402 -0.029 1
1 75 . 25 1 1 A 15 15 GLN HA H 435 4.332 4.244 0.088 1
1 82 . 25 1 1 A 16 16 THR H H 436 8.127 8.447 -0.320 1
1 83 . 25 1 1 A 16 16 THR HA H 436 4.207 4.359 -0.152 1
1 88 . 25 1 1 A 17 17 ALA H H 437 8.306 8.748 -0.442 1
1 89 . 25 1 1 A 17 17 ALA HA H 437 4.239 4.137 0.102 1
1 93 . 25 1 1 A 18 18 GLY H H 438 8.285 7.539 0.746 1
1 94 . 25 1 1 A 18 18 GLY HA2 H 438 3.839 4.000 -0.161 1
1 95 . 25 1 1 A 18 18 GLY HA3 H 438 3.839 4.001 -0.162 1
1 96 . 25 1 1 A 19 19 ALA H H 439 8.056 8.065 -0.009 1
1 97 . 25 1 1 A 19 19 ALA HA H 439 4.227 4.639 -0.412 1
1 101 . 25 1 1 A 20 20 ASP H H 440 8.325 9.102 -0.777 1
1 102 . 25 1 1 A 20 20 ASP HA H 440 4.567 4.798 -0.231 1
1 105 . 25 1 1 A 21 21 THR H H 441 8.067 8.700 -0.633 1
1 106 . 25 1 1 A 21 21 THR HA H 441 4.300 4.500 -0.200 1
1 111 . 25 1 1 A 22 22 THR H H 442 8.131 9.179 -1.048 1
1 112 . 25 1 1 A 22 22 THR HA H 442 4.176 3.940 0.236 1
1 117 . 25 1 1 A 23 23 ALA H H 443 8.147 8.328 -0.181 1
1 118 . 25 1 1 A 23 23 ALA HA H 443 4.179 4.408 -0.229 1
1 122 . 25 1 1 A 24 24 GLU H H 444 8.193 7.979 0.214 1
1 123 . 25 1 1 A 24 24 GLU HA H 444 4.206 4.607 -0.401 1
1 128 . 25 1 1 A 25 25 LYS H H 445 8.525 8.067 0.458 1
1 129 . 25 1 1 A 25 25 LYS HA H 445 4.088 3.785 0.303 1
1 138 . 25 1 1 A 26 26 CYS H H 446 8.624 8.644 -0.020 1
1 139 . 25 1 1 A 26 26 CYS HA H 446 4.560 4.711 -0.151 1
1 142 . 25 1 1 A 27 27 LYS H H 447 7.925 7.509 0.416 1
1 143 . 25 1 1 A 27 27 LYS HA H 447 4.019 3.919 0.100 1
1 152 . 25 1 1 A 28 28 GLY H H 448 8.873 8.851 0.022 1
1 153 . 25 1 1 A 28 28 GLY HA2 H 448 4.094 4.032 0.062 1
1 154 . 25 1 1 A 28 28 GLY HA3 H 448 3.665 4.040 -0.375 1
1 155 . 25 1 1 A 29 29 LYS H H 449 7.462 7.930 -0.468 1
1 156 . 25 1 1 A 29 29 LYS HA H 449 4.220 4.369 -0.149 1
1 165 . 25 1 1 A 30 30 GLY H H 450 8.669 8.484 0.185 1
1 166 . 25 1 1 A 30 30 GLY HA2 H 450 4.212 3.972 0.240 1
1 167 . 25 1 1 A 30 30 GLY HA3 H 450 3.563 4.050 -0.487 1
1 168 . 25 1 1 A 31 31 GLU H H 451 7.724 8.571 -0.847 1
1 169 . 25 1 1 A 31 31 GLU HA H 451 1.968 1.536 0.432 1
1 174 . 25 1 1 A 32 32 LYS H H 452 8.012 7.734 0.278 1
1 175 . 25 1 1 A 32 32 LYS HA H 452 3.712 3.891 -0.179 1
1 184 . 25 1 1 A 33 33 ASP H H 453 7.057 7.993 -0.936 1
1 185 . 25 1 1 A 33 33 ASP HA H 453 4.678 4.288 0.390 1
1 188 . 25 1 1 A 34 34 CYS H H 454 7.329 7.880 -0.551 1
1 189 . 25 1 1 A 34 34 CYS HA H 454 4.350 4.448 -0.098 1
1 192 . 25 1 1 A 35 35 LYS H H 455 7.892 8.816 -0.924 1
1 193 . 25 1 1 A 35 35 LYS HA H 455 4.457 4.382 0.075 1
1 202 . 25 1 1 A 36 36 SER H H 456 8.470 9.000 -0.530 1
1 203 . 25 1 1 A 36 36 SER HA H 456 4.624 4.469 0.155 1
1 206 . 25 1 1 A 37 37 PRO HA H 457 4.723 4.299 0.424 1
1 213 . 25 1 1 A 38 38 ASP H H 458 8.115 8.915 -0.800 1
1 214 . 25 1 1 A 38 38 ASP HA H 458 4.230 4.379 -0.149 1
1 217 . 25 1 1 A 39 39 CYS H H 459 7.993 8.476 -0.483 1
1 218 . 25 1 1 A 39 39 CYS HA H 459 5.259 4.957 0.302 1
1 221 . 25 1 1 A 40 40 LYS H H 460 9.018 8.515 0.503 1
1 222 . 25 1 1 A 40 40 LYS HA H 460 4.441 4.622 -0.181 1
1 231 . 25 1 1 A 41 41 TRP H H 461 8.511 9.010 -0.499 1
1 232 . 25 1 1 A 41 41 TRP HA H 461 5.205 4.893 0.312 1
1 241 . 25 1 1 A 42 42 GLU H H 462 8.310 8.447 -0.137 1
1 242 . 25 1 1 A 42 42 GLU HA H 462 4.308 4.556 -0.248 1
1 247 . 25 1 1 A 43 43 GLY H H 463 8.730 9.176 -0.446 1
1 248 . 25 1 1 A 43 43 GLY HA2 H 463 3.569 3.704 -0.135 1
1 249 . 25 1 1 A 43 43 GLY HA3 H 463 3.569 3.734 -0.165 1
1 250 . 25 1 1 A 44 44 GLY H H 464 7.730 8.331 -0.601 1
1 251 . 25 1 1 A 44 44 GLY HA2 H 464 3.713 3.716 -0.003 1
1 252 . 25 1 1 A 44 44 GLY HA3 H 464 3.139 3.827 -0.688 1
1 253 . 25 1 1 A 45 45 THR H H 465 6.343 6.670 -0.327 1
1 254 . 25 1 1 A 45 45 THR HA H 465 3.821 4.395 -0.574 1
1 259 . 25 1 1 A 46 46 CYS H H 466 8.406 8.873 -0.467 1
1 260 . 25 1 1 A 46 46 CYS HA H 466 5.281 4.940 0.341 1
1 263 . 25 1 1 A 47 47 LYS H H 467 9.363 8.577 0.786 1
1 264 . 25 1 1 A 47 47 LYS HA H 467 4.547 4.993 -0.446 1
1 1 . 26 1 1 A 3 3 LYS H H 423 8.388 7.696 0.692 1
1 2 . 26 1 1 A 3 3 LYS HA H 423 4.225 4.406 -0.181 1
1 11 . 26 1 1 A 5 5 SER H H 425 8.220 8.765 -0.545 1
1 12 . 26 1 1 A 5 5 SER HA H 425 4.336 5.048 -0.712 1
1 15 . 26 1 1 A 6 6 LYS H H 426 8.327 8.429 -0.102 1
1 16 . 26 1 1 A 6 6 LYS HA H 426 4.269 4.424 -0.155 1
1 25 . 26 1 1 A 7 7 SER H H 427 8.235 7.819 0.416 1
1 26 . 26 1 1 A 7 7 SER HA H 427 4.343 4.536 -0.193 1
1 29 . 26 1 1 A 8 8 GLY H H 428 8.297 8.906 -0.609 1
1 30 . 26 1 1 A 8 8 GLY HA2 H 428 3.857 3.817 0.040 1
1 31 . 26 1 1 A 8 8 GLY HA3 H 428 3.857 3.817 0.040 1
1 32 . 26 1 1 A 9 9 VAL H H 429 7.813 7.987 -0.174 1
1 33 . 26 1 1 A 9 9 VAL HA H 429 4.322 4.273 0.049 1
1 41 . 26 1 1 A 10 10 PRO HA H 430 4.351 4.641 -0.290 1
1 48 . 26 1 1 A 11 11 VAL H H 431 8.213 8.648 -0.435 1
1 49 . 26 1 1 A 11 11 VAL HA H 431 4.019 4.056 -0.037 1
1 54 . 26 1 1 A 12 12 THR H H 432 8.064 8.896 -0.832 1
1 55 . 26 1 1 A 12 12 THR HA H 432 4.222 4.238 -0.016 1
1 60 . 26 1 1 A 13 13 GLN H H 433 8.337 7.675 0.662 1
1 61 . 26 1 1 A 13 13 GLN HA H 433 4.333 4.635 -0.302 1
1 68 . 26 1 1 A 14 14 THR H H 434 8.134 8.756 -0.622 1
1 69 . 26 1 1 A 14 14 THR HA H 434 4.198 4.111 0.087 1
1 74 . 26 1 1 A 15 15 GLN H H 435 8.373 7.572 0.801 1
1 75 . 26 1 1 A 15 15 GLN HA H 435 4.332 4.604 -0.272 1
1 82 . 26 1 1 A 16 16 THR H H 436 8.127 8.392 -0.265 1
1 83 . 26 1 1 A 16 16 THR HA H 436 4.207 4.437 -0.230 1
1 88 . 26 1 1 A 17 17 ALA H H 437 8.306 7.964 0.342 1
1 89 . 26 1 1 A 17 17 ALA HA H 437 4.239 3.950 0.289 1
1 93 . 26 1 1 A 18 18 GLY H H 438 8.285 8.516 -0.231 1
1 94 . 26 1 1 A 18 18 GLY HA2 H 438 3.839 3.864 -0.025 1
1 95 . 26 1 1 A 18 18 GLY HA3 H 438 3.839 3.865 -0.026 1
1 96 . 26 1 1 A 19 19 ALA H H 439 8.056 8.298 -0.242 1
1 97 . 26 1 1 A 19 19 ALA HA H 439 4.227 4.037 0.190 1
1 101 . 26 1 1 A 20 20 ASP H H 440 8.325 8.727 -0.402 1
1 102 . 26 1 1 A 20 20 ASP HA H 440 4.567 4.198 0.369 1
1 105 . 26 1 1 A 21 21 THR H H 441 8.067 8.329 -0.262 1
1 106 . 26 1 1 A 21 21 THR HA H 441 4.300 4.574 -0.274 1
1 111 . 26 1 1 A 22 22 THR H H 442 8.131 7.543 0.588 1
1 112 . 26 1 1 A 22 22 THR HA H 442 4.176 3.957 0.219 1
1 117 . 26 1 1 A 23 23 ALA H H 443 8.147 8.141 0.006 1
1 118 . 26 1 1 A 23 23 ALA HA H 443 4.179 3.936 0.243 1
1 122 . 26 1 1 A 24 24 GLU H H 444 8.193 7.860 0.333 1
1 123 . 26 1 1 A 24 24 GLU HA H 444 4.206 4.173 0.033 1
1 128 . 26 1 1 A 25 25 LYS H H 445 8.525 8.571 -0.046 1
1 129 . 26 1 1 A 25 25 LYS HA H 445 4.088 3.964 0.124 1
1 138 . 26 1 1 A 26 26 CYS H H 446 8.624 7.604 1.020 1
1 139 . 26 1 1 A 26 26 CYS HA H 446 4.560 4.532 0.028 1
1 142 . 26 1 1 A 27 27 LYS H H 447 7.925 7.785 0.140 1
1 143 . 26 1 1 A 27 27 LYS HA H 447 4.019 4.117 -0.098 1
1 152 . 26 1 1 A 28 28 GLY H H 448 8.873 9.085 -0.212 1
1 153 . 26 1 1 A 28 28 GLY HA2 H 448 4.094 4.034 0.060 1
1 154 . 26 1 1 A 28 28 GLY HA3 H 448 3.665 4.055 -0.390 1
1 155 . 26 1 1 A 29 29 LYS H H 449 7.462 7.993 -0.531 1
1 156 . 26 1 1 A 29 29 LYS HA H 449 4.220 4.359 -0.139 1
1 165 . 26 1 1 A 30 30 GLY H H 450 8.669 7.615 1.054 1
1 166 . 26 1 1 A 30 30 GLY HA2 H 450 4.212 4.138 0.074 1
1 167 . 26 1 1 A 30 30 GLY HA3 H 450 3.563 4.263 -0.700 1
1 168 . 26 1 1 A 31 31 GLU H H 451 7.724 8.588 -0.864 1
1 169 . 26 1 1 A 31 31 GLU HA H 451 1.968 2.896 -0.928 1
1 174 . 26 1 1 A 32 32 LYS H H 452 8.012 7.941 0.071 1
1 175 . 26 1 1 A 32 32 LYS HA H 452 3.712 4.034 -0.322 1
1 184 . 26 1 1 A 33 33 ASP H H 453 7.057 7.823 -0.766 1
1 185 . 26 1 1 A 33 33 ASP HA H 453 4.678 4.274 0.404 1
1 188 . 26 1 1 A 34 34 CYS H H 454 7.329 8.921 -1.592 1
1 189 . 26 1 1 A 34 34 CYS HA H 454 4.350 4.741 -0.391 1
1 192 . 26 1 1 A 35 35 LYS H H 455 7.892 7.967 -0.075 1
1 193 . 26 1 1 A 35 35 LYS HA H 455 4.457 4.226 0.231 1
1 202 . 26 1 1 A 36 36 SER H H 456 8.470 8.946 -0.476 1
1 203 . 26 1 1 A 36 36 SER HA H 456 4.624 4.619 0.005 1
1 206 . 26 1 1 A 37 37 PRO HA H 457 4.723 4.321 0.402 1
1 213 . 26 1 1 A 38 38 ASP H H 458 8.115 8.310 -0.195 1
1 214 . 26 1 1 A 38 38 ASP HA H 458 4.230 4.432 -0.202 1
1 217 . 26 1 1 A 39 39 CYS H H 459 7.993 8.579 -0.586 1
1 218 . 26 1 1 A 39 39 CYS HA H 459 5.259 4.983 0.276 1
1 221 . 26 1 1 A 40 40 LYS H H 460 9.018 8.771 0.247 1
1 222 . 26 1 1 A 40 40 LYS HA H 460 4.441 4.612 -0.171 1
1 231 . 26 1 1 A 41 41 TRP H H 461 8.511 8.859 -0.348 1
1 232 . 26 1 1 A 41 41 TRP HA H 461 5.205 5.076 0.129 1
1 241 . 26 1 1 A 42 42 GLU H H 462 8.310 8.299 0.011 1
1 242 . 26 1 1 A 42 42 GLU HA H 462 4.308 4.339 -0.031 1
1 247 . 26 1 1 A 43 43 GLY H H 463 8.730 6.938 1.792 1
1 248 . 26 1 1 A 43 43 GLY HA2 H 463 3.569 3.966 -0.397 1
1 249 . 26 1 1 A 43 43 GLY HA3 H 463 3.569 3.999 -0.430 1
1 250 . 26 1 1 A 44 44 GLY H H 464 7.730 7.635 0.095 1
1 251 . 26 1 1 A 44 44 GLY HA2 H 464 3.713 3.944 -0.231 1
1 252 . 26 1 1 A 44 44 GLY HA3 H 464 3.139 4.133 -0.994 1
1 253 . 26 1 1 A 45 45 THR H H 465 6.343 6.135 0.208 1
1 254 . 26 1 1 A 45 45 THR HA H 465 3.821 4.258 -0.437 1
1 259 . 26 1 1 A 46 46 CYS H H 466 8.406 8.656 -0.250 1
1 260 . 26 1 1 A 46 46 CYS HA H 466 5.281 5.460 -0.179 1
1 263 . 26 1 1 A 47 47 LYS H H 467 9.363 8.440 0.923 1
1 264 . 26 1 1 A 47 47 LYS HA H 467 4.547 4.932 -0.385 1
1 1 . 27 1 1 A 3 3 LYS H H 423 8.388 7.821 0.567 1
1 2 . 27 1 1 A 3 3 LYS HA H 423 4.225 4.820 -0.595 1
1 11 . 27 1 1 A 5 5 SER H H 425 8.220 8.149 0.071 1
1 12 . 27 1 1 A 5 5 SER HA H 425 4.336 4.319 0.017 1
1 15 . 27 1 1 A 6 6 LYS H H 426 8.327 8.343 -0.016 1
1 16 . 27 1 1 A 6 6 LYS HA H 426 4.269 4.960 -0.691 1
1 25 . 27 1 1 A 7 7 SER H H 427 8.235 8.576 -0.341 1
1 26 . 27 1 1 A 7 7 SER HA H 427 4.343 4.534 -0.191 1
1 29 . 27 1 1 A 8 8 GLY H H 428 8.297 8.788 -0.491 1
1 30 . 27 1 1 A 8 8 GLY HA2 H 428 3.857 3.985 -0.128 1
1 31 . 27 1 1 A 8 8 GLY HA3 H 428 3.857 3.985 -0.128 1
1 32 . 27 1 1 A 9 9 VAL H H 429 7.813 8.482 -0.669 1
1 33 . 27 1 1 A 9 9 VAL HA H 429 4.322 4.631 -0.309 1
1 41 . 27 1 1 A 10 10 PRO HA H 430 4.351 4.800 -0.449 1
1 48 . 27 1 1 A 11 11 VAL H H 431 8.213 8.299 -0.086 1
1 49 . 27 1 1 A 11 11 VAL HA H 431 4.019 4.195 -0.176 1
1 54 . 27 1 1 A 12 12 THR H H 432 8.064 8.422 -0.358 1
1 55 . 27 1 1 A 12 12 THR HA H 432 4.222 4.342 -0.120 1
1 60 . 27 1 1 A 13 13 GLN H H 433 8.337 8.302 0.035 1
1 61 . 27 1 1 A 13 13 GLN HA H 433 4.333 4.593 -0.260 1
1 68 . 27 1 1 A 14 14 THR H H 434 8.134 7.695 0.439 1
1 69 . 27 1 1 A 14 14 THR HA H 434 4.198 4.599 -0.401 1
1 74 . 27 1 1 A 15 15 GLN H H 435 8.373 8.708 -0.335 1
1 75 . 27 1 1 A 15 15 GLN HA H 435 4.332 4.201 0.131 1
1 82 . 27 1 1 A 16 16 THR H H 436 8.127 7.500 0.627 1
1 83 . 27 1 1 A 16 16 THR HA H 436 4.207 4.565 -0.358 1
1 88 . 27 1 1 A 17 17 ALA H H 437 8.306 8.666 -0.360 1
1 89 . 27 1 1 A 17 17 ALA HA H 437 4.239 4.912 -0.673 1
1 93 . 27 1 1 A 18 18 GLY H H 438 8.285 8.286 -0.001 1
1 94 . 27 1 1 A 18 18 GLY HA2 H 438 3.839 3.934 -0.095 1
1 95 . 27 1 1 A 18 18 GLY HA3 H 438 3.839 3.935 -0.096 1
1 96 . 27 1 1 A 19 19 ALA H H 439 8.056 8.080 -0.024 1
1 97 . 27 1 1 A 19 19 ALA HA H 439 4.227 3.970 0.257 1
1 101 . 27 1 1 A 20 20 ASP H H 440 8.325 7.798 0.527 1
1 102 . 27 1 1 A 20 20 ASP HA H 440 4.567 4.790 -0.223 1
1 105 . 27 1 1 A 21 21 THR H H 441 8.067 8.498 -0.431 1
1 106 . 27 1 1 A 21 21 THR HA H 441 4.300 3.863 0.437 1
1 111 . 27 1 1 A 22 22 THR H H 442 8.131 7.874 0.257 1
1 112 . 27 1 1 A 22 22 THR HA H 442 4.176 4.524 -0.348 1
1 117 . 27 1 1 A 23 23 ALA H H 443 8.147 8.037 0.110 1
1 118 . 27 1 1 A 23 23 ALA HA H 443 4.179 4.013 0.166 1
1 122 . 27 1 1 A 24 24 GLU H H 444 8.193 8.130 0.063 1
1 123 . 27 1 1 A 24 24 GLU HA H 444 4.206 4.286 -0.080 1
1 128 . 27 1 1 A 25 25 LYS H H 445 8.525 7.896 0.629 1
1 129 . 27 1 1 A 25 25 LYS HA H 445 4.088 4.069 0.019 1
1 138 . 27 1 1 A 26 26 CYS H H 446 8.624 7.528 1.096 1
1 139 . 27 1 1 A 26 26 CYS HA H 446 4.560 4.738 -0.178 1
1 142 . 27 1 1 A 27 27 LYS H H 447 7.925 8.223 -0.298 1
1 143 . 27 1 1 A 27 27 LYS HA H 447 4.019 3.905 0.114 1
1 152 . 27 1 1 A 28 28 GLY H H 448 8.873 9.063 -0.190 1
1 153 . 27 1 1 A 28 28 GLY HA2 H 448 4.094 4.038 0.056 1
1 154 . 27 1 1 A 28 28 GLY HA3 H 448 3.665 4.060 -0.395 1
1 155 . 27 1 1 A 29 29 LYS H H 449 7.462 8.433 -0.971 1
1 156 . 27 1 1 A 29 29 LYS HA H 449 4.220 4.369 -0.149 1
1 165 . 27 1 1 A 30 30 GLY H H 450 8.669 7.937 0.732 1
1 166 . 27 1 1 A 30 30 GLY HA2 H 450 4.212 4.057 0.155 1
1 167 . 27 1 1 A 30 30 GLY HA3 H 450 3.563 4.183 -0.620 1
1 168 . 27 1 1 A 31 31 GLU H H 451 7.724 8.453 -0.729 1
1 169 . 27 1 1 A 31 31 GLU HA H 451 1.968 2.757 -0.789 1
1 174 . 27 1 1 A 32 32 LYS H H 452 8.012 8.161 -0.149 1
1 175 . 27 1 1 A 32 32 LYS HA H 452 3.712 4.244 -0.532 1
1 184 . 27 1 1 A 33 33 ASP H H 453 7.057 7.818 -0.761 1
1 185 . 27 1 1 A 33 33 ASP HA H 453 4.678 4.796 -0.118 1
1 188 . 27 1 1 A 34 34 CYS H H 454 7.329 8.366 -1.037 1
1 189 . 27 1 1 A 34 34 CYS HA H 454 4.350 4.453 -0.103 1
1 192 . 27 1 1 A 35 35 LYS H H 455 7.892 8.850 -0.958 1
1 193 . 27 1 1 A 35 35 LYS HA H 455 4.457 4.544 -0.087 1
1 202 . 27 1 1 A 36 36 SER H H 456 8.470 9.071 -0.601 1
1 203 . 27 1 1 A 36 36 SER HA H 456 4.624 4.461 0.163 1
1 206 . 27 1 1 A 37 37 PRO HA H 457 4.723 4.311 0.412 1
1 213 . 27 1 1 A 38 38 ASP H H 458 8.115 8.371 -0.256 1
1 214 . 27 1 1 A 38 38 ASP HA H 458 4.230 4.393 -0.163 1
1 217 . 27 1 1 A 39 39 CYS H H 459 7.993 8.623 -0.630 1
1 218 . 27 1 1 A 39 39 CYS HA H 459 5.259 5.410 -0.151 1
1 221 . 27 1 1 A 40 40 LYS H H 460 9.018 8.824 0.194 1
1 222 . 27 1 1 A 40 40 LYS HA H 460 4.441 4.793 -0.352 1
1 231 . 27 1 1 A 41 41 TRP H H 461 8.511 9.037 -0.526 1
1 232 . 27 1 1 A 41 41 TRP HA H 461 5.205 5.048 0.157 1
1 241 . 27 1 1 A 42 42 GLU H H 462 8.310 8.941 -0.631 1
1 242 . 27 1 1 A 42 42 GLU HA H 462 4.308 4.494 -0.186 1
1 247 . 27 1 1 A 43 43 GLY H H 463 8.730 9.220 -0.490 1
1 248 . 27 1 1 A 43 43 GLY HA2 H 463 3.569 3.702 -0.133 1
1 249 . 27 1 1 A 43 43 GLY HA3 H 463 3.569 3.721 -0.152 1
1 250 . 27 1 1 A 44 44 GLY H H 464 7.730 8.329 -0.599 1
1 251 . 27 1 1 A 44 44 GLY HA2 H 464 3.713 3.346 0.367 1
1 252 . 27 1 1 A 44 44 GLY HA3 H 464 3.139 3.670 -0.531 1
1 253 . 27 1 1 A 45 45 THR H H 465 6.343 6.935 -0.592 1
1 254 . 27 1 1 A 45 45 THR HA H 465 3.821 4.219 -0.398 1
1 259 . 27 1 1 A 46 46 CYS H H 466 8.406 8.971 -0.565 1
1 260 . 27 1 1 A 46 46 CYS HA H 466 5.281 5.157 0.124 1
1 263 . 27 1 1 A 47 47 LYS H H 467 9.363 8.656 0.707 1
1 264 . 27 1 1 A 47 47 LYS HA H 467 4.547 4.835 -0.288 1
1 1 . 28 1 1 A 3 3 LYS H H 423 8.388 7.642 0.746 1
1 2 . 28 1 1 A 3 3 LYS HA H 423 4.225 4.340 -0.115 1
1 11 . 28 1 1 A 5 5 SER H H 425 8.220 7.835 0.385 1
1 12 . 28 1 1 A 5 5 SER HA H 425 4.336 4.311 0.025 1
1 15 . 28 1 1 A 6 6 LYS H H 426 8.327 8.413 -0.086 1
1 16 . 28 1 1 A 6 6 LYS HA H 426 4.269 4.192 0.077 1
1 25 . 28 1 1 A 7 7 SER H H 427 8.235 8.589 -0.354 1
1 26 . 28 1 1 A 7 7 SER HA H 427 4.343 4.574 -0.231 1
1 29 . 28 1 1 A 8 8 GLY H H 428 8.297 8.438 -0.141 1
1 30 . 28 1 1 A 8 8 GLY HA2 H 428 3.857 4.005 -0.148 1
1 31 . 28 1 1 A 8 8 GLY HA3 H 428 3.857 4.005 -0.148 1
1 32 . 28 1 1 A 9 9 VAL H H 429 7.813 8.417 -0.604 1
1 33 . 28 1 1 A 9 9 VAL HA H 429 4.322 4.266 0.056 1
1 41 . 28 1 1 A 10 10 PRO HA H 430 4.351 4.548 -0.197 1
1 48 . 28 1 1 A 11 11 VAL H H 431 8.213 8.201 0.012 1
1 49 . 28 1 1 A 11 11 VAL HA H 431 4.019 4.268 -0.249 1
1 54 . 28 1 1 A 12 12 THR H H 432 8.064 8.168 -0.104 1
1 55 . 28 1 1 A 12 12 THR HA H 432 4.222 4.281 -0.059 1
1 60 . 28 1 1 A 13 13 GLN H H 433 8.337 8.419 -0.082 1
1 61 . 28 1 1 A 13 13 GLN HA H 433 4.333 4.376 -0.043 1
1 68 . 28 1 1 A 14 14 THR H H 434 8.134 8.857 -0.723 1
1 69 . 28 1 1 A 14 14 THR HA H 434 4.198 4.728 -0.530 1
1 74 . 28 1 1 A 15 15 GLN H H 435 8.373 8.468 -0.095 1
1 75 . 28 1 1 A 15 15 GLN HA H 435 4.332 4.115 0.217 1
1 82 . 28 1 1 A 16 16 THR H H 436 8.127 7.692 0.435 1
1 83 . 28 1 1 A 16 16 THR HA H 436 4.207 4.569 -0.362 1
1 88 . 28 1 1 A 17 17 ALA H H 437 8.306 8.395 -0.089 1
1 89 . 28 1 1 A 17 17 ALA HA H 437 4.239 3.923 0.316 1
1 93 . 28 1 1 A 18 18 GLY H H 438 8.285 8.461 -0.176 1
1 94 . 28 1 1 A 18 18 GLY HA2 H 438 3.839 3.864 -0.025 1
1 95 . 28 1 1 A 18 18 GLY HA3 H 438 3.839 3.878 -0.039 1
1 96 . 28 1 1 A 19 19 ALA H H 439 8.056 7.807 0.249 1
1 97 . 28 1 1 A 19 19 ALA HA H 439 4.227 4.190 0.037 1
1 101 . 28 1 1 A 20 20 ASP H H 440 8.325 8.946 -0.621 1
1 102 . 28 1 1 A 20 20 ASP HA H 440 4.567 4.814 -0.247 1
1 105 . 28 1 1 A 21 21 THR H H 441 8.067 8.027 0.040 1
1 106 . 28 1 1 A 21 21 THR HA H 441 4.300 4.028 0.272 1
1 111 . 28 1 1 A 22 22 THR H H 442 8.131 7.677 0.454 1
1 112 . 28 1 1 A 22 22 THR HA H 442 4.176 4.257 -0.081 1
1 117 . 28 1 1 A 23 23 ALA H H 443 8.147 8.699 -0.552 1
1 118 . 28 1 1 A 23 23 ALA HA H 443 4.179 4.297 -0.118 1
1 122 . 28 1 1 A 24 24 GLU H H 444 8.193 9.221 -1.028 1
1 123 . 28 1 1 A 24 24 GLU HA H 444 4.206 4.441 -0.235 1
1 128 . 28 1 1 A 25 25 LYS H H 445 8.525 7.904 0.621 1
1 129 . 28 1 1 A 25 25 LYS HA H 445 4.088 3.979 0.109 1
1 138 . 28 1 1 A 26 26 CYS H H 446 8.624 7.511 1.113 1
1 139 . 28 1 1 A 26 26 CYS HA H 446 4.560 4.667 -0.107 1
1 142 . 28 1 1 A 27 27 LYS H H 447 7.925 7.839 0.086 1
1 143 . 28 1 1 A 27 27 LYS HA H 447 4.019 4.354 -0.335 1
1 152 . 28 1 1 A 28 28 GLY H H 448 8.873 8.702 0.171 1
1 153 . 28 1 1 A 28 28 GLY HA2 H 448 4.094 3.864 0.230 1
1 154 . 28 1 1 A 28 28 GLY HA3 H 448 3.665 3.879 -0.214 1
1 155 . 28 1 1 A 29 29 LYS H H 449 7.462 8.201 -0.739 1
1 156 . 28 1 1 A 29 29 LYS HA H 449 4.220 4.606 -0.386 1
1 165 . 28 1 1 A 30 30 GLY H H 450 8.669 8.606 0.063 1
1 166 . 28 1 1 A 30 30 GLY HA2 H 450 4.212 4.088 0.124 1
1 167 . 28 1 1 A 30 30 GLY HA3 H 450 3.563 4.189 -0.626 1
1 168 . 28 1 1 A 31 31 GLU H H 451 7.724 8.547 -0.823 1
1 169 . 28 1 1 A 31 31 GLU HA H 451 1.968 2.526 -0.558 1
1 174 . 28 1 1 A 32 32 LYS H H 452 8.012 7.771 0.241 1
1 175 . 28 1 1 A 32 32 LYS HA H 452 3.712 3.933 -0.221 1
1 184 . 28 1 1 A 33 33 ASP H H 453 7.057 8.081 -1.024 1
1 185 . 28 1 1 A 33 33 ASP HA H 453 4.678 4.273 0.405 1
1 188 . 28 1 1 A 34 34 CYS H H 454 7.329 7.980 -0.651 1
1 189 . 28 1 1 A 34 34 CYS HA H 454 4.350 4.465 -0.115 1
1 192 . 28 1 1 A 35 35 LYS H H 455 7.892 8.859 -0.967 1
1 193 . 28 1 1 A 35 35 LYS HA H 455 4.457 4.373 0.084 1
1 202 . 28 1 1 A 36 36 SER H H 456 8.470 9.078 -0.608 1
1 203 . 28 1 1 A 36 36 SER HA H 456 4.624 4.672 -0.048 1
1 206 . 28 1 1 A 37 37 PRO HA H 457 4.723 4.307 0.416 1
1 213 . 28 1 1 A 38 38 ASP H H 458 8.115 8.399 -0.284 1
1 214 . 28 1 1 A 38 38 ASP HA H 458 4.230 4.359 -0.129 1
1 217 . 28 1 1 A 39 39 CYS H H 459 7.993 8.450 -0.457 1
1 218 . 28 1 1 A 39 39 CYS HA H 459 5.259 5.053 0.206 1
1 221 . 28 1 1 A 40 40 LYS H H 460 9.018 8.528 0.490 1
1 222 . 28 1 1 A 40 40 LYS HA H 460 4.441 4.586 -0.145 1
1 231 . 28 1 1 A 41 41 TRP H H 461 8.511 8.751 -0.240 1
1 232 . 28 1 1 A 41 41 TRP HA H 461 5.205 5.545 -0.340 1
1 241 . 28 1 1 A 42 42 GLU H H 462 8.310 8.199 0.111 1
1 242 . 28 1 1 A 42 42 GLU HA H 462 4.308 4.568 -0.260 1
1 247 . 28 1 1 A 43 43 GLY H H 463 8.730 9.160 -0.430 1
1 248 . 28 1 1 A 43 43 GLY HA2 H 463 3.569 3.716 -0.147 1
1 249 . 28 1 1 A 43 43 GLY HA3 H 463 3.569 3.747 -0.178 1
1 250 . 28 1 1 A 44 44 GLY H H 464 7.730 8.381 -0.651 1
1 251 . 28 1 1 A 44 44 GLY HA2 H 464 3.713 3.686 0.027 1
1 252 . 28 1 1 A 44 44 GLY HA3 H 464 3.139 3.807 -0.668 1
1 253 . 28 1 1 A 45 45 THR H H 465 6.343 6.702 -0.359 1
1 254 . 28 1 1 A 45 45 THR HA H 465 3.821 4.283 -0.462 1
1 259 . 28 1 1 A 46 46 CYS H H 466 8.406 8.765 -0.359 1
1 260 . 28 1 1 A 46 46 CYS HA H 466 5.281 5.314 -0.033 1
1 263 . 28 1 1 A 47 47 LYS H H 467 9.363 9.151 0.212 1
1 264 . 28 1 1 A 47 47 LYS HA H 467 4.547 4.857 -0.310 1
1 1 . 29 1 1 A 3 3 LYS H H 423 8.388 7.864 0.524 1
1 2 . 29 1 1 A 3 3 LYS HA H 423 4.225 4.115 0.110 1
1 11 . 29 1 1 A 5 5 SER H H 425 8.220 8.621 -0.401 1
1 12 . 29 1 1 A 5 5 SER HA H 425 4.336 4.543 -0.207 1
1 15 . 29 1 1 A 6 6 LYS H H 426 8.327 8.135 0.192 1
1 16 . 29 1 1 A 6 6 LYS HA H 426 4.269 4.006 0.263 1
1 25 . 29 1 1 A 7 7 SER H H 427 8.235 8.136 0.099 1
1 26 . 29 1 1 A 7 7 SER HA H 427 4.343 4.272 0.071 1
1 29 . 29 1 1 A 8 8 GLY H H 428 8.297 7.844 0.453 1
1 30 . 29 1 1 A 8 8 GLY HA2 H 428 3.857 4.090 -0.233 1
1 31 . 29 1 1 A 8 8 GLY HA3 H 428 3.857 4.090 -0.233 1
1 32 . 29 1 1 A 9 9 VAL H H 429 7.813 8.293 -0.480 1
1 33 . 29 1 1 A 9 9 VAL HA H 429 4.322 4.134 0.188 1
1 41 . 29 1 1 A 10 10 PRO HA H 430 4.351 4.572 -0.221 1
1 48 . 29 1 1 A 11 11 VAL H H 431 8.213 8.615 -0.402 1
1 49 . 29 1 1 A 11 11 VAL HA H 431 4.019 4.197 -0.178 1
1 54 . 29 1 1 A 12 12 THR H H 432 8.064 8.266 -0.202 1
1 55 . 29 1 1 A 12 12 THR HA H 432 4.222 3.959 0.263 1
1 60 . 29 1 1 A 13 13 GLN H H 433 8.337 8.182 0.155 1
1 61 . 29 1 1 A 13 13 GLN HA H 433 4.333 4.271 0.062 1
1 68 . 29 1 1 A 14 14 THR H H 434 8.134 8.746 -0.612 1
1 69 . 29 1 1 A 14 14 THR HA H 434 4.198 4.047 0.151 1
1 74 . 29 1 1 A 15 15 GLN H H 435 8.373 7.943 0.430 1
1 75 . 29 1 1 A 15 15 GLN HA H 435 4.332 4.151 0.181 1
1 82 . 29 1 1 A 16 16 THR H H 436 8.127 7.546 0.581 1
1 83 . 29 1 1 A 16 16 THR HA H 436 4.207 4.083 0.124 1
1 88 . 29 1 1 A 17 17 ALA H H 437 8.306 7.476 0.830 1
1 89 . 29 1 1 A 17 17 ALA HA H 437 4.239 4.730 -0.491 1
1 93 . 29 1 1 A 18 18 GLY H H 438 8.285 8.376 -0.091 1
1 94 . 29 1 1 A 18 18 GLY HA2 H 438 3.839 4.214 -0.375 1
1 95 . 29 1 1 A 18 18 GLY HA3 H 438 3.839 4.215 -0.376 1
1 96 . 29 1 1 A 19 19 ALA H H 439 8.056 8.593 -0.537 1
1 97 . 29 1 1 A 19 19 ALA HA H 439 4.227 3.926 0.301 1
1 101 . 29 1 1 A 20 20 ASP H H 440 8.325 7.841 0.484 1
1 102 . 29 1 1 A 20 20 ASP HA H 440 4.567 4.771 -0.204 1
1 105 . 29 1 1 A 21 21 THR H H 441 8.067 8.540 -0.473 1
1 106 . 29 1 1 A 21 21 THR HA H 441 4.300 4.173 0.127 1
1 111 . 29 1 1 A 22 22 THR H H 442 8.131 8.651 -0.520 1
1 112 . 29 1 1 A 22 22 THR HA H 442 4.176 4.550 -0.374 1
1 117 . 29 1 1 A 23 23 ALA H H 443 8.147 8.108 0.039 1
1 118 . 29 1 1 A 23 23 ALA HA H 443 4.179 4.091 0.088 1
1 122 . 29 1 1 A 24 24 GLU H H 444 8.193 9.242 -1.049 1
1 123 . 29 1 1 A 24 24 GLU HA H 444 4.206 4.002 0.204 1
1 128 . 29 1 1 A 25 25 LYS H H 445 8.525 8.437 0.088 1
1 129 . 29 1 1 A 25 25 LYS HA H 445 4.088 3.885 0.203 1
1 138 . 29 1 1 A 26 26 CYS H H 446 8.624 7.906 0.718 1
1 139 . 29 1 1 A 26 26 CYS HA H 446 4.560 4.802 -0.242 1
1 142 . 29 1 1 A 27 27 LYS H H 447 7.925 7.657 0.268 1
1 143 . 29 1 1 A 27 27 LYS HA H 447 4.019 4.320 -0.301 1
1 152 . 29 1 1 A 28 28 GLY H H 448 8.873 8.825 0.048 1
1 153 . 29 1 1 A 28 28 GLY HA2 H 448 4.094 4.012 0.082 1
1 154 . 29 1 1 A 28 28 GLY HA3 H 448 3.665 4.016 -0.351 1
1 155 . 29 1 1 A 29 29 LYS H H 449 7.462 8.011 -0.549 1
1 156 . 29 1 1 A 29 29 LYS HA H 449 4.220 4.362 -0.142 1
1 165 . 29 1 1 A 30 30 GLY H H 450 8.669 8.515 0.154 1
1 166 . 29 1 1 A 30 30 GLY HA2 H 450 4.212 4.110 0.102 1
1 167 . 29 1 1 A 30 30 GLY HA3 H 450 3.563 4.243 -0.680 1
1 168 . 29 1 1 A 31 31 GLU H H 451 7.724 8.514 -0.790 1
1 169 . 29 1 1 A 31 31 GLU HA H 451 1.968 2.427 -0.459 1
1 174 . 29 1 1 A 32 32 LYS H H 452 8.012 7.695 0.317 1
1 175 . 29 1 1 A 32 32 LYS HA H 452 3.712 3.958 -0.246 1
1 184 . 29 1 1 A 33 33 ASP H H 453 7.057 8.075 -1.018 1
1 185 . 29 1 1 A 33 33 ASP HA H 453 4.678 4.297 0.381 1
1 188 . 29 1 1 A 34 34 CYS H H 454 7.329 7.965 -0.636 1
1 189 . 29 1 1 A 34 34 CYS HA H 454 4.350 4.513 -0.163 1
1 192 . 29 1 1 A 35 35 LYS H H 455 7.892 8.874 -0.982 1
1 193 . 29 1 1 A 35 35 LYS HA H 455 4.457 4.373 0.084 1
1 202 . 29 1 1 A 36 36 SER H H 456 8.470 9.079 -0.609 1
1 203 . 29 1 1 A 36 36 SER HA H 456 4.624 4.631 -0.007 1
1 206 . 29 1 1 A 37 37 PRO HA H 457 4.723 4.317 0.406 1
1 213 . 29 1 1 A 38 38 ASP H H 458 8.115 8.319 -0.204 1
1 214 . 29 1 1 A 38 38 ASP HA H 458 4.230 4.406 -0.176 1
1 217 . 29 1 1 A 39 39 CYS H H 459 7.993 8.444 -0.451 1
1 218 . 29 1 1 A 39 39 CYS HA H 459 5.259 5.005 0.254 1
1 221 . 29 1 1 A 40 40 LYS H H 460 9.018 8.212 0.806 1
1 222 . 29 1 1 A 40 40 LYS HA H 460 4.441 4.611 -0.170 1
1 231 . 29 1 1 A 41 41 TRP H H 461 8.511 8.978 -0.467 1
1 232 . 29 1 1 A 41 41 TRP HA H 461 5.205 5.030 0.175 1
1 241 . 29 1 1 A 42 42 GLU H H 462 8.310 8.334 -0.024 1
1 242 . 29 1 1 A 42 42 GLU HA H 462 4.308 4.374 -0.066 1
1 247 . 29 1 1 A 43 43 GLY H H 463 8.730 8.306 0.424 1
1 248 . 29 1 1 A 43 43 GLY HA2 H 463 3.569 3.751 -0.182 1
1 249 . 29 1 1 A 43 43 GLY HA3 H 463 3.569 3.774 -0.205 1
1 250 . 29 1 1 A 44 44 GLY H H 464 7.730 7.425 0.305 1
1 251 . 29 1 1 A 44 44 GLY HA2 H 464 3.713 3.885 -0.172 1
1 252 . 29 1 1 A 44 44 GLY HA3 H 464 3.139 3.975 -0.836 1
1 253 . 29 1 1 A 45 45 THR H H 465 6.343 6.749 -0.406 1
1 254 . 29 1 1 A 45 45 THR HA H 465 3.821 4.472 -0.651 1
1 259 . 29 1 1 A 46 46 CYS H H 466 8.406 9.020 -0.614 1
1 260 . 29 1 1 A 46 46 CYS HA H 466 5.281 5.408 -0.127 1
1 263 . 29 1 1 A 47 47 LYS H H 467 9.363 8.822 0.541 1
1 264 . 29 1 1 A 47 47 LYS HA H 467 4.547 5.045 -0.498 1
1 1 . 30 1 1 A 3 3 LYS H H 423 8.388 8.791 -0.403 1
1 2 . 30 1 1 A 3 3 LYS HA H 423 4.225 4.297 -0.072 1
1 11 . 30 1 1 A 5 5 SER H H 425 8.220 8.200 0.020 1
1 12 . 30 1 1 A 5 5 SER HA H 425 4.336 4.161 0.175 1
1 15 . 30 1 1 A 6 6 LYS H H 426 8.327 7.846 0.481 1
1 16 . 30 1 1 A 6 6 LYS HA H 426 4.269 4.578 -0.309 1
1 25 . 30 1 1 A 7 7 SER H H 427 8.235 7.986 0.249 1
1 26 . 30 1 1 A 7 7 SER HA H 427 4.343 4.368 -0.025 1
1 29 . 30 1 1 A 8 8 GLY H H 428 8.297 8.643 -0.346 1
1 30 . 30 1 1 A 8 8 GLY HA2 H 428 3.857 3.995 -0.138 1
1 31 . 30 1 1 A 8 8 GLY HA3 H 428 3.857 3.995 -0.138 1
1 32 . 30 1 1 A 9 9 VAL H H 429 7.813 8.741 -0.928 1
1 33 . 30 1 1 A 9 9 VAL HA H 429 4.322 4.164 0.158 1
1 41 . 30 1 1 A 10 10 PRO HA H 430 4.351 4.567 -0.216 1
1 48 . 30 1 1 A 11 11 VAL H H 431 8.213 7.706 0.507 1
1 49 . 30 1 1 A 11 11 VAL HA H 431 4.019 4.416 -0.397 1
1 54 . 30 1 1 A 12 12 THR H H 432 8.064 8.668 -0.604 1
1 55 . 30 1 1 A 12 12 THR HA H 432 4.222 4.873 -0.651 1
1 60 . 30 1 1 A 13 13 GLN H H 433 8.337 8.710 -0.373 1
1 61 . 30 1 1 A 13 13 GLN HA H 433 4.333 4.742 -0.409 1
1 68 . 30 1 1 A 14 14 THR H H 434 8.134 8.037 0.097 1
1 69 . 30 1 1 A 14 14 THR HA H 434 4.198 4.618 -0.420 1
1 74 . 30 1 1 A 15 15 GLN H H 435 8.373 8.538 -0.165 1
1 75 . 30 1 1 A 15 15 GLN HA H 435 4.332 4.674 -0.342 1
1 82 . 30 1 1 A 16 16 THR H H 436 8.127 7.980 0.147 1
1 83 . 30 1 1 A 16 16 THR HA H 436 4.207 4.247 -0.040 1
1 88 . 30 1 1 A 17 17 ALA H H 437 8.306 7.409 0.897 1
1 89 . 30 1 1 A 17 17 ALA HA H 437 4.239 4.283 -0.044 1
1 93 . 30 1 1 A 18 18 GLY H H 438 8.285 8.344 -0.059 1
1 94 . 30 1 1 A 18 18 GLY HA2 H 438 3.839 4.128 -0.289 1
1 95 . 30 1 1 A 18 18 GLY HA3 H 438 3.839 4.128 -0.289 1
1 96 . 30 1 1 A 19 19 ALA H H 439 8.056 8.044 0.012 1
1 97 . 30 1 1 A 19 19 ALA HA H 439 4.227 4.202 0.025 1
1 101 . 30 1 1 A 20 20 ASP H H 440 8.325 8.762 -0.437 1
1 102 . 30 1 1 A 20 20 ASP HA H 440 4.567 4.592 -0.025 1
1 105 . 30 1 1 A 21 21 THR H H 441 8.067 7.902 0.165 1
1 106 . 30 1 1 A 21 21 THR HA H 441 4.300 4.191 0.109 1
1 111 . 30 1 1 A 22 22 THR H H 442 8.131 7.988 0.143 1
1 112 . 30 1 1 A 22 22 THR HA H 442 4.176 4.814 -0.638 1
1 117 . 30 1 1 A 23 23 ALA H H 443 8.147 7.936 0.211 1
1 118 . 30 1 1 A 23 23 ALA HA H 443 4.179 3.997 0.182 1
1 122 . 30 1 1 A 24 24 GLU H H 444 8.193 8.025 0.168 1
1 123 . 30 1 1 A 24 24 GLU HA H 444 4.206 4.260 -0.054 1
1 128 . 30 1 1 A 25 25 LYS H H 445 8.525 8.146 0.379 1
1 129 . 30 1 1 A 25 25 LYS HA H 445 4.088 3.838 0.250 1
1 138 . 30 1 1 A 26 26 CYS H H 446 8.624 8.342 0.282 1
1 139 . 30 1 1 A 26 26 CYS HA H 446 4.560 4.257 0.303 1
1 142 . 30 1 1 A 27 27 LYS H H 447 7.925 7.810 0.115 1
1 143 . 30 1 1 A 27 27 LYS HA H 447 4.019 4.607 -0.588 1
1 152 . 30 1 1 A 28 28 GLY H H 448 8.873 8.814 0.059 1
1 153 . 30 1 1 A 28 28 GLY HA2 H 448 4.094 4.003 0.091 1
1 154 . 30 1 1 A 28 28 GLY HA3 H 448 3.665 4.005 -0.340 1
1 155 . 30 1 1 A 29 29 LYS H H 449 7.462 7.898 -0.436 1
1 156 . 30 1 1 A 29 29 LYS HA H 449 4.220 4.409 -0.189 1
1 165 . 30 1 1 A 30 30 GLY H H 450 8.669 8.510 0.159 1
1 166 . 30 1 1 A 30 30 GLY HA2 H 450 4.212 4.139 0.073 1
1 167 . 30 1 1 A 30 30 GLY HA3 H 450 3.563 4.311 -0.748 1
1 168 . 30 1 1 A 31 31 GLU H H 451 7.724 8.630 -0.906 1
1 169 . 30 1 1 A 31 31 GLU HA H 451 1.968 2.600 -0.632 1
1 174 . 30 1 1 A 32 32 LYS H H 452 8.012 7.651 0.361 1
1 175 . 30 1 1 A 32 32 LYS HA H 452 3.712 3.929 -0.217 1
1 184 . 30 1 1 A 33 33 ASP H H 453 7.057 7.953 -0.896 1
1 185 . 30 1 1 A 33 33 ASP HA H 453 4.678 4.342 0.336 1
1 188 . 30 1 1 A 34 34 CYS H H 454 7.329 7.981 -0.652 1
1 189 . 30 1 1 A 34 34 CYS HA H 454 4.350 4.451 -0.101 1
1 192 . 30 1 1 A 35 35 LYS H H 455 7.892 8.633 -0.741 1
1 193 . 30 1 1 A 35 35 LYS HA H 455 4.457 4.254 0.203 1
1 202 . 30 1 1 A 36 36 SER H H 456 8.470 9.099 -0.629 1
1 203 . 30 1 1 A 36 36 SER HA H 456 4.624 4.431 0.193 1
1 206 . 30 1 1 A 37 37 PRO HA H 457 4.723 4.322 0.401 1
1 213 . 30 1 1 A 38 38 ASP H H 458 8.115 8.700 -0.585 1
1 214 . 30 1 1 A 38 38 ASP HA H 458 4.230 4.410 -0.180 1
1 217 . 30 1 1 A 39 39 CYS H H 459 7.993 8.303 -0.310 1
1 218 . 30 1 1 A 39 39 CYS HA H 459 5.259 5.092 0.167 1
1 221 . 30 1 1 A 40 40 LYS H H 460 9.018 8.555 0.463 1
1 222 . 30 1 1 A 40 40 LYS HA H 460 4.441 4.586 -0.145 1
1 231 . 30 1 1 A 41 41 TRP H H 461 8.511 8.756 -0.245 1
1 232 . 30 1 1 A 41 41 TRP HA H 461 5.205 5.356 -0.151 1
1 241 . 30 1 1 A 42 42 GLU H H 462 8.310 8.438 -0.128 1
1 242 . 30 1 1 A 42 42 GLU HA H 462 4.308 4.369 -0.061 1
1 247 . 30 1 1 A 43 43 GLY H H 463 8.730 8.328 0.402 1
1 248 . 30 1 1 A 43 43 GLY HA2 H 463 3.569 3.733 -0.164 1
1 249 . 30 1 1 A 43 43 GLY HA3 H 463 3.569 3.755 -0.186 1
1 250 . 30 1 1 A 44 44 GLY H H 464 7.730 7.340 0.390 1
1 251 . 30 1 1 A 44 44 GLY HA2 H 464 3.713 3.882 -0.169 1
1 252 . 30 1 1 A 44 44 GLY HA3 H 464 3.139 3.992 -0.853 1
1 253 . 30 1 1 A 45 45 THR H H 465 6.343 6.555 -0.212 1
1 254 . 30 1 1 A 45 45 THR HA H 465 3.821 4.519 -0.698 1
1 259 . 30 1 1 A 46 46 CYS H H 466 8.406 8.978 -0.572 1
1 260 . 30 1 1 A 46 46 CYS HA H 466 5.281 5.178 0.103 1
1 263 . 30 1 1 A 47 47 LYS H H 467 9.363 9.109 0.254 1
1 264 . 30 1 1 A 47 47 LYS HA H 467 4.547 6.054 -1.507 1
1 1 . 31 1 1 A 3 3 LYS H H 423 8.388 7.806 0.582 1
1 2 . 31 1 1 A 3 3 LYS HA H 423 4.225 4.496 -0.271 1
1 11 . 31 1 1 A 5 5 SER H H 425 8.220 9.179 -0.959 1
1 12 . 31 1 1 A 5 5 SER HA H 425 4.336 4.750 -0.414 1
1 15 . 31 1 1 A 6 6 LYS H H 426 8.327 7.700 0.627 1
1 16 . 31 1 1 A 6 6 LYS HA H 426 4.269 4.534 -0.265 1
1 25 . 31 1 1 A 7 7 SER H H 427 8.235 8.896 -0.661 1
1 26 . 31 1 1 A 7 7 SER HA H 427 4.343 4.017 0.326 1
1 29 . 31 1 1 A 8 8 GLY H H 428 8.297 7.690 0.607 1
1 30 . 31 1 1 A 8 8 GLY HA2 H 428 3.857 4.064 -0.207 1
1 31 . 31 1 1 A 8 8 GLY HA3 H 428 3.857 4.064 -0.207 1
1 32 . 31 1 1 A 9 9 VAL H H 429 7.813 8.730 -0.917 1
1 33 . 31 1 1 A 9 9 VAL HA H 429 4.322 4.753 -0.431 1
1 41 . 31 1 1 A 10 10 PRO HA H 430 4.351 4.296 0.055 1
1 48 . 31 1 1 A 11 11 VAL H H 431 8.213 7.922 0.291 1
1 49 . 31 1 1 A 11 11 VAL HA H 431 4.019 4.154 -0.135 1
1 54 . 31 1 1 A 12 12 THR H H 432 8.064 7.639 0.425 1
1 55 . 31 1 1 A 12 12 THR HA H 432 4.222 4.061 0.161 1
1 60 . 31 1 1 A 13 13 GLN H H 433 8.337 9.454 -1.117 1
1 61 . 31 1 1 A 13 13 GLN HA H 433 4.333 4.005 0.328 1
1 68 . 31 1 1 A 14 14 THR H H 434 8.134 8.273 -0.139 1
1 69 . 31 1 1 A 14 14 THR HA H 434 4.198 3.926 0.272 1
1 74 . 31 1 1 A 15 15 GLN H H 435 8.373 8.312 0.061 1
1 75 . 31 1 1 A 15 15 GLN HA H 435 4.332 4.087 0.245 1
1 82 . 31 1 1 A 16 16 THR H H 436 8.127 8.190 -0.063 1
1 83 . 31 1 1 A 16 16 THR HA H 436 4.207 4.610 -0.403 1
1 88 . 31 1 1 A 17 17 ALA H H 437 8.306 7.519 0.787 1
1 89 . 31 1 1 A 17 17 ALA HA H 437 4.239 4.610 -0.371 1
1 93 . 31 1 1 A 18 18 GLY H H 438 8.285 8.364 -0.079 1
1 94 . 31 1 1 A 18 18 GLY HA2 H 438 3.839 3.918 -0.079 1
1 95 . 31 1 1 A 18 18 GLY HA3 H 438 3.839 3.920 -0.081 1
1 96 . 31 1 1 A 19 19 ALA H H 439 8.056 7.607 0.449 1
1 97 . 31 1 1 A 19 19 ALA HA H 439 4.227 4.738 -0.511 1
1 101 . 31 1 1 A 20 20 ASP H H 440 8.325 8.758 -0.433 1
1 102 . 31 1 1 A 20 20 ASP HA H 440 4.567 4.304 0.263 1
1 105 . 31 1 1 A 21 21 THR H H 441 8.067 8.837 -0.770 1
1 106 . 31 1 1 A 21 21 THR HA H 441 4.300 4.065 0.235 1
1 111 . 31 1 1 A 22 22 THR H H 442 8.131 7.873 0.258 1
1 112 . 31 1 1 A 22 22 THR HA H 442 4.176 4.108 0.068 1
1 117 . 31 1 1 A 23 23 ALA H H 443 8.147 8.669 -0.522 1
1 118 . 31 1 1 A 23 23 ALA HA H 443 4.179 4.013 0.166 1
1 122 . 31 1 1 A 24 24 GLU H H 444 8.193 8.562 -0.369 1
1 123 . 31 1 1 A 24 24 GLU HA H 444 4.206 4.750 -0.544 1
1 128 . 31 1 1 A 25 25 LYS H H 445 8.525 7.599 0.926 1
1 129 . 31 1 1 A 25 25 LYS HA H 445 4.088 3.982 0.106 1
1 138 . 31 1 1 A 26 26 CYS H H 446 8.624 7.615 1.009 1
1 139 . 31 1 1 A 26 26 CYS HA H 446 4.560 4.734 -0.174 1
1 142 . 31 1 1 A 27 27 LYS H H 447 7.925 7.839 0.086 1
1 143 . 31 1 1 A 27 27 LYS HA H 447 4.019 4.072 -0.053 1
1 152 . 31 1 1 A 28 28 GLY H H 448 8.873 8.870 0.003 1
1 153 . 31 1 1 A 28 28 GLY HA2 H 448 4.094 4.008 0.086 1
1 154 . 31 1 1 A 28 28 GLY HA3 H 448 3.665 4.015 -0.350 1
1 155 . 31 1 1 A 29 29 LYS H H 449 7.462 7.380 0.082 1
1 156 . 31 1 1 A 29 29 LYS HA H 449 4.220 4.590 -0.370 1
1 165 . 31 1 1 A 30 30 GLY H H 450 8.669 8.516 0.153 1
1 166 . 31 1 1 A 30 30 GLY HA2 H 450 4.212 4.026 0.186 1
1 167 . 31 1 1 A 30 30 GLY HA3 H 450 3.563 4.187 -0.624 1
1 168 . 31 1 1 A 31 31 GLU H H 451 7.724 8.276 -0.552 1
1 169 . 31 1 1 A 31 31 GLU HA H 451 1.968 2.471 -0.503 1
1 174 . 31 1 1 A 32 32 LYS H H 452 8.012 7.618 0.394 1
1 175 . 31 1 1 A 32 32 LYS HA H 452 3.712 3.951 -0.239 1
1 184 . 31 1 1 A 33 33 ASP H H 453 7.057 7.897 -0.840 1
1 185 . 31 1 1 A 33 33 ASP HA H 453 4.678 4.383 0.295 1
1 188 . 31 1 1 A 34 34 CYS H H 454 7.329 7.795 -0.466 1
1 189 . 31 1 1 A 34 34 CYS HA H 454 4.350 4.396 -0.046 1
1 192 . 31 1 1 A 35 35 LYS H H 455 7.892 8.455 -0.563 1
1 193 . 31 1 1 A 35 35 LYS HA H 455 4.457 4.929 -0.472 1
1 202 . 31 1 1 A 36 36 SER H H 456 8.470 8.969 -0.499 1
1 203 . 31 1 1 A 36 36 SER HA H 456 4.624 4.497 0.127 1
1 206 . 31 1 1 A 37 37 PRO HA H 457 4.723 4.535 0.188 1
1 213 . 31 1 1 A 38 38 ASP H H 458 8.115 8.827 -0.712 1
1 214 . 31 1 1 A 38 38 ASP HA H 458 4.230 4.307 -0.077 1
1 217 . 31 1 1 A 39 39 CYS H H 459 7.993 7.865 0.128 1
1 218 . 31 1 1 A 39 39 CYS HA H 459 5.259 5.112 0.147 1
1 221 . 31 1 1 A 40 40 LYS H H 460 9.018 9.169 -0.151 1
1 222 . 31 1 1 A 40 40 LYS HA H 460 4.441 5.021 -0.580 1
1 231 . 31 1 1 A 41 41 TRP H H 461 8.511 9.036 -0.525 1
1 232 . 31 1 1 A 41 41 TRP HA H 461 5.205 5.018 0.187 1
1 241 . 31 1 1 A 42 42 GLU H H 462 8.310 7.926 0.384 1
1 242 . 31 1 1 A 42 42 GLU HA H 462 4.308 4.454 -0.146 1
1 247 . 31 1 1 A 43 43 GLY H H 463 8.730 8.923 -0.193 1
1 248 . 31 1 1 A 43 43 GLY HA2 H 463 3.569 3.719 -0.150 1
1 249 . 31 1 1 A 43 43 GLY HA3 H 463 3.569 3.770 -0.201 1
1 250 . 31 1 1 A 44 44 GLY H H 464 7.730 7.950 -0.220 1
1 251 . 31 1 1 A 44 44 GLY HA2 H 464 3.713 3.871 -0.158 1
1 252 . 31 1 1 A 44 44 GLY HA3 H 464 3.139 4.013 -0.874 1
1 253 . 31 1 1 A 45 45 THR H H 465 6.343 6.669 -0.326 1
1 254 . 31 1 1 A 45 45 THR HA H 465 3.821 4.537 -0.716 1
1 259 . 31 1 1 A 46 46 CYS H H 466 8.406 9.012 -0.606 1
1 260 . 31 1 1 A 46 46 CYS HA H 466 5.281 5.147 0.134 1
1 263 . 31 1 1 A 47 47 LYS H H 467 9.363 9.066 0.297 1
1 264 . 31 1 1 A 47 47 LYS HA H 467 4.547 5.027 -0.480 1
1 1 . 32 1 1 A 3 3 LYS H H 423 8.388 8.606 -0.218 1
1 2 . 32 1 1 A 3 3 LYS HA H 423 4.225 4.500 -0.275 1
1 11 . 32 1 1 A 5 5 SER H H 425 8.220 8.008 0.212 1
1 12 . 32 1 1 A 5 5 SER HA H 425 4.336 4.383 -0.047 1
1 15 . 32 1 1 A 6 6 LYS H H 426 8.327 8.536 -0.209 1
1 16 . 32 1 1 A 6 6 LYS HA H 426 4.269 4.128 0.141 1
1 25 . 32 1 1 A 7 7 SER H H 427 8.235 8.016 0.219 1
1 26 . 32 1 1 A 7 7 SER HA H 427 4.343 4.224 0.119 1
1 29 . 32 1 1 A 8 8 GLY H H 428 8.297 7.903 0.394 1
1 30 . 32 1 1 A 8 8 GLY HA2 H 428 3.857 4.110 -0.253 1
1 31 . 32 1 1 A 8 8 GLY HA3 H 428 3.857 4.110 -0.253 1
1 32 . 32 1 1 A 9 9 VAL H H 429 7.813 8.598 -0.785 1
1 33 . 32 1 1 A 9 9 VAL HA H 429 4.322 4.261 0.061 1
1 41 . 32 1 1 A 10 10 PRO HA H 430 4.351 4.568 -0.217 1
1 48 . 32 1 1 A 11 11 VAL H H 431 8.213 8.452 -0.239 1
1 49 . 32 1 1 A 11 11 VAL HA H 431 4.019 4.145 -0.126 1
1 54 . 32 1 1 A 12 12 THR H H 432 8.064 8.142 -0.078 1
1 55 . 32 1 1 A 12 12 THR HA H 432 4.222 4.252 -0.030 1
1 60 . 32 1 1 A 13 13 GLN H H 433 8.337 8.511 -0.174 1
1 61 . 32 1 1 A 13 13 GLN HA H 433 4.333 4.578 -0.245 1
1 68 . 32 1 1 A 14 14 THR H H 434 8.134 7.716 0.418 1
1 69 . 32 1 1 A 14 14 THR HA H 434 4.198 4.607 -0.409 1
1 74 . 32 1 1 A 15 15 GLN H H 435 8.373 8.742 -0.369 1
1 75 . 32 1 1 A 15 15 GLN HA H 435 4.332 4.431 -0.099 1
1 82 . 32 1 1 A 16 16 THR H H 436 8.127 9.342 -1.215 1
1 83 . 32 1 1 A 16 16 THR HA H 436 4.207 3.934 0.273 1
1 88 . 32 1 1 A 17 17 ALA H H 437 8.306 8.207 0.099 1
1 89 . 32 1 1 A 17 17 ALA HA H 437 4.239 3.947 0.292 1
1 93 . 32 1 1 A 18 18 GLY H H 438 8.285 8.745 -0.460 1
1 94 . 32 1 1 A 18 18 GLY HA2 H 438 3.839 3.926 -0.087 1
1 95 . 32 1 1 A 18 18 GLY HA3 H 438 3.839 3.929 -0.090 1
1 96 . 32 1 1 A 19 19 ALA H H 439 8.056 8.810 -0.754 1
1 97 . 32 1 1 A 19 19 ALA HA H 439 4.227 3.998 0.229 1
1 101 . 32 1 1 A 20 20 ASP H H 440 8.325 7.962 0.363 1
1 102 . 32 1 1 A 20 20 ASP HA H 440 4.567 4.424 0.143 1
1 105 . 32 1 1 A 21 21 THR H H 441 8.067 7.718 0.349 1
1 106 . 32 1 1 A 21 21 THR HA H 441 4.300 4.190 0.110 1
1 111 . 32 1 1 A 22 22 THR H H 442 8.131 7.741 0.390 1
1 112 . 32 1 1 A 22 22 THR HA H 442 4.176 4.576 -0.400 1
1 117 . 32 1 1 A 23 23 ALA H H 443 8.147 8.376 -0.229 1
1 118 . 32 1 1 A 23 23 ALA HA H 443 4.179 4.491 -0.312 1
1 122 . 32 1 1 A 24 24 GLU H H 444 8.193 8.124 0.069 1
1 123 . 32 1 1 A 24 24 GLU HA H 444 4.206 4.068 0.138 1
1 128 . 32 1 1 A 25 25 LYS H H 445 8.525 7.458 1.067 1
1 129 . 32 1 1 A 25 25 LYS HA H 445 4.088 4.014 0.074 1
1 138 . 32 1 1 A 26 26 CYS H H 446 8.624 7.646 0.978 1
1 139 . 32 1 1 A 26 26 CYS HA H 446 4.560 4.793 -0.233 1
1 142 . 32 1 1 A 27 27 LYS H H 447 7.925 7.758 0.167 1
1 143 . 32 1 1 A 27 27 LYS HA H 447 4.019 3.983 0.036 1
1 152 . 32 1 1 A 28 28 GLY H H 448 8.873 8.800 0.073 1
1 153 . 32 1 1 A 28 28 GLY HA2 H 448 4.094 4.046 0.048 1
1 154 . 32 1 1 A 28 28 GLY HA3 H 448 3.665 4.047 -0.382 1
1 155 . 32 1 1 A 29 29 LYS H H 449 7.462 7.633 -0.171 1
1 156 . 32 1 1 A 29 29 LYS HA H 449 4.220 4.467 -0.247 1
1 165 . 32 1 1 A 30 30 GLY H H 450 8.669 8.491 0.178 1
1 166 . 32 1 1 A 30 30 GLY HA2 H 450 4.212 4.096 0.116 1
1 167 . 32 1 1 A 30 30 GLY HA3 H 450 3.563 4.231 -0.668 1
1 168 . 32 1 1 A 31 31 GLU H H 451 7.724 8.492 -0.768 1
1 169 . 32 1 1 A 31 31 GLU HA H 451 1.968 2.474 -0.506 1
1 174 . 32 1 1 A 32 32 LYS H H 452 8.012 7.926 0.086 1
1 175 . 32 1 1 A 32 32 LYS HA H 452 3.712 3.919 -0.207 1
1 184 . 32 1 1 A 33 33 ASP H H 453 7.057 7.872 -0.815 1
1 185 . 32 1 1 A 33 33 ASP HA H 453 4.678 4.395 0.283 1
1 188 . 32 1 1 A 34 34 CYS H H 454 7.329 7.696 -0.367 1
1 189 . 32 1 1 A 34 34 CYS HA H 454 4.350 4.489 -0.139 1
1 192 . 32 1 1 A 35 35 LYS H H 455 7.892 8.760 -0.868 1
1 193 . 32 1 1 A 35 35 LYS HA H 455 4.457 4.341 0.116 1
1 202 . 32 1 1 A 36 36 SER H H 456 8.470 8.979 -0.509 1
1 203 . 32 1 1 A 36 36 SER HA H 456 4.624 4.423 0.201 1
1 206 . 32 1 1 A 37 37 PRO HA H 457 4.723 4.326 0.397 1
1 213 . 32 1 1 A 38 38 ASP H H 458 8.115 8.339 -0.224 1
1 214 . 32 1 1 A 38 38 ASP HA H 458 4.230 4.386 -0.156 1
1 217 . 32 1 1 A 39 39 CYS H H 459 7.993 8.353 -0.360 1
1 218 . 32 1 1 A 39 39 CYS HA H 459 5.259 4.974 0.285 1
1 221 . 32 1 1 A 40 40 LYS H H 460 9.018 8.571 0.447 1
1 222 . 32 1 1 A 40 40 LYS HA H 460 4.441 4.714 -0.273 1
1 231 . 32 1 1 A 41 41 TRP H H 461 8.511 8.930 -0.419 1
1 232 . 32 1 1 A 41 41 TRP HA H 461 5.205 4.820 0.385 1
1 241 . 32 1 1 A 42 42 GLU H H 462 8.310 8.891 -0.581 1
1 242 . 32 1 1 A 42 42 GLU HA H 462 4.308 4.489 -0.181 1
1 247 . 32 1 1 A 43 43 GLY H H 463 8.730 9.199 -0.469 1
1 248 . 32 1 1 A 43 43 GLY HA2 H 463 3.569 3.723 -0.154 1
1 249 . 32 1 1 A 43 43 GLY HA3 H 463 3.569 3.748 -0.179 1
1 250 . 32 1 1 A 44 44 GLY H H 464 7.730 8.346 -0.616 1
1 251 . 32 1 1 A 44 44 GLY HA2 H 464 3.713 3.621 0.092 1
1 252 . 32 1 1 A 44 44 GLY HA3 H 464 3.139 3.784 -0.645 1
1 253 . 32 1 1 A 45 45 THR H H 465 6.343 6.627 -0.284 1
1 254 . 32 1 1 A 45 45 THR HA H 465 3.821 4.327 -0.506 1
1 259 . 32 1 1 A 46 46 CYS H H 466 8.406 8.813 -0.407 1
1 260 . 32 1 1 A 46 46 CYS HA H 466 5.281 4.949 0.332 1
1 263 . 32 1 1 A 47 47 LYS H H 467 9.363 8.739 0.624 1
1 264 . 32 1 1 A 47 47 LYS HA H 467 4.547 5.138 -0.591 1
1 1 . 33 1 1 A 3 3 LYS H H 423 8.388 8.632 -0.244 1
1 2 . 33 1 1 A 3 3 LYS HA H 423 4.225 4.533 -0.308 1
1 11 . 33 1 1 A 5 5 SER H H 425 8.220 8.635 -0.415 1
1 12 . 33 1 1 A 5 5 SER HA H 425 4.336 4.369 -0.033 1
1 15 . 33 1 1 A 6 6 LYS H H 426 8.327 8.328 -0.001 1
1 16 . 33 1 1 A 6 6 LYS HA H 426 4.269 4.230 0.039 1
1 25 . 33 1 1 A 7 7 SER H H 427 8.235 9.004 -0.769 1
1 26 . 33 1 1 A 7 7 SER HA H 427 4.343 5.083 -0.740 1
1 29 . 33 1 1 A 8 8 GLY H H 428 8.297 8.570 -0.273 1
1 30 . 33 1 1 A 8 8 GLY HA2 H 428 3.857 4.147 -0.290 1
1 31 . 33 1 1 A 8 8 GLY HA3 H 428 3.857 4.147 -0.290 1
1 32 . 33 1 1 A 9 9 VAL H H 429 7.813 7.704 0.109 1
1 33 . 33 1 1 A 9 9 VAL HA H 429 4.322 4.443 -0.121 1
1 41 . 33 1 1 A 10 10 PRO HA H 430 4.351 4.304 0.047 1
1 48 . 33 1 1 A 11 11 VAL H H 431 8.213 7.933 0.280 1
1 49 . 33 1 1 A 11 11 VAL HA H 431 4.019 3.784 0.235 1
1 54 . 33 1 1 A 12 12 THR H H 432 8.064 7.828 0.236 1
1 55 . 33 1 1 A 12 12 THR HA H 432 4.222 4.115 0.107 1
1 60 . 33 1 1 A 13 13 GLN H H 433 8.337 7.822 0.515 1
1 61 . 33 1 1 A 13 13 GLN HA H 433 4.333 4.852 -0.519 1
1 68 . 33 1 1 A 14 14 THR H H 434 8.134 8.900 -0.766 1
1 69 . 33 1 1 A 14 14 THR HA H 434 4.198 4.160 0.038 1
1 74 . 33 1 1 A 15 15 GLN H H 435 8.373 9.006 -0.633 1
1 75 . 33 1 1 A 15 15 GLN HA H 435 4.332 3.860 0.472 1
1 82 . 33 1 1 A 16 16 THR H H 436 8.127 8.024 0.103 1
1 83 . 33 1 1 A 16 16 THR HA H 436 4.207 3.984 0.223 1
1 88 . 33 1 1 A 17 17 ALA H H 437 8.306 8.462 -0.156 1
1 89 . 33 1 1 A 17 17 ALA HA H 437 4.239 3.955 0.284 1
1 93 . 33 1 1 A 18 18 GLY H H 438 8.285 8.718 -0.433 1
1 94 . 33 1 1 A 18 18 GLY HA2 H 438 3.839 4.003 -0.164 1
1 95 . 33 1 1 A 18 18 GLY HA3 H 438 3.839 4.003 -0.164 1
1 96 . 33 1 1 A 19 19 ALA H H 439 8.056 8.099 -0.043 1
1 97 . 33 1 1 A 19 19 ALA HA H 439 4.227 4.659 -0.432 1
1 101 . 33 1 1 A 20 20 ASP H H 440 8.325 8.815 -0.490 1
1 102 . 33 1 1 A 20 20 ASP HA H 440 4.567 4.270 0.297 1
1 105 . 33 1 1 A 21 21 THR H H 441 8.067 7.886 0.181 1
1 106 . 33 1 1 A 21 21 THR HA H 441 4.300 4.108 0.192 1
1 111 . 33 1 1 A 22 22 THR H H 442 8.131 7.830 0.301 1
1 112 . 33 1 1 A 22 22 THR HA H 442 4.176 4.680 -0.504 1
1 117 . 33 1 1 A 23 23 ALA H H 443 8.147 8.834 -0.687 1
1 118 . 33 1 1 A 23 23 ALA HA H 443 4.179 4.004 0.175 1
1 122 . 33 1 1 A 24 24 GLU H H 444 8.193 7.885 0.308 1
1 123 . 33 1 1 A 24 24 GLU HA H 444 4.206 4.074 0.132 1
1 128 . 33 1 1 A 25 25 LYS H H 445 8.525 8.001 0.524 1
1 129 . 33 1 1 A 25 25 LYS HA H 445 4.088 4.093 -0.005 1
1 138 . 33 1 1 A 26 26 CYS H H 446 8.624 7.595 1.029 1
1 139 . 33 1 1 A 26 26 CYS HA H 446 4.560 4.699 -0.139 1
1 142 . 33 1 1 A 27 27 LYS H H 447 7.925 7.809 0.116 1
1 143 . 33 1 1 A 27 27 LYS HA H 447 4.019 4.390 -0.371 1
1 152 . 33 1 1 A 28 28 GLY H H 448 8.873 8.950 -0.077 1
1 153 . 33 1 1 A 28 28 GLY HA2 H 448 4.094 4.001 0.093 1
1 154 . 33 1 1 A 28 28 GLY HA3 H 448 3.665 4.005 -0.340 1
1 155 . 33 1 1 A 29 29 LYS H H 449 7.462 7.815 -0.353 1
1 156 . 33 1 1 A 29 29 LYS HA H 449 4.220 4.410 -0.190 1
1 165 . 33 1 1 A 30 30 GLY H H 450 8.669 8.522 0.147 1
1 166 . 33 1 1 A 30 30 GLY HA2 H 450 4.212 4.151 0.061 1
1 167 . 33 1 1 A 30 30 GLY HA3 H 450 3.563 4.334 -0.771 1
1 168 . 33 1 1 A 31 31 GLU H H 451 7.724 8.551 -0.827 1
1 169 . 33 1 1 A 31 31 GLU HA H 451 1.968 3.021 -1.053 1
1 174 . 33 1 1 A 32 32 LYS H H 452 8.012 7.778 0.234 1
1 175 . 33 1 1 A 32 32 LYS HA H 452 3.712 3.962 -0.250 1
1 184 . 33 1 1 A 33 33 ASP H H 453 7.057 7.888 -0.831 1
1 185 . 33 1 1 A 33 33 ASP HA H 453 4.678 4.418 0.260 1
1 188 . 33 1 1 A 34 34 CYS H H 454 7.329 8.455 -1.126 1
1 189 . 33 1 1 A 34 34 CYS HA H 454 4.350 4.648 -0.298 1
1 192 . 33 1 1 A 35 35 LYS H H 455 7.892 8.906 -1.014 1
1 193 . 33 1 1 A 35 35 LYS HA H 455 4.457 3.826 0.631 1
1 202 . 33 1 1 A 36 36 SER H H 456 8.470 7.831 0.639 1
1 203 . 33 1 1 A 36 36 SER HA H 456 4.624 4.611 0.013 1
1 206 . 33 1 1 A 37 37 PRO HA H 457 4.723 4.510 0.213 1
1 213 . 33 1 1 A 38 38 ASP H H 458 8.115 8.421 -0.306 1
1 214 . 33 1 1 A 38 38 ASP HA H 458 4.230 4.874 -0.644 1
1 217 . 33 1 1 A 39 39 CYS H H 459 7.993 7.992 0.001 1
1 218 . 33 1 1 A 39 39 CYS HA H 459 5.259 4.670 0.589 1
1 221 . 33 1 1 A 40 40 LYS H H 460 9.018 8.461 0.557 1
1 222 . 33 1 1 A 40 40 LYS HA H 460 4.441 4.871 -0.430 1
1 231 . 33 1 1 A 41 41 TRP H H 461 8.511 8.975 -0.464 1
1 232 . 33 1 1 A 41 41 TRP HA H 461 5.205 5.122 0.083 1
1 241 . 33 1 1 A 42 42 GLU H H 462 8.310 8.831 -0.521 1
1 242 . 33 1 1 A 42 42 GLU HA H 462 4.308 4.539 -0.231 1
1 247 . 33 1 1 A 43 43 GLY H H 463 8.730 8.758 -0.028 1
1 248 . 33 1 1 A 43 43 GLY HA2 H 463 3.569 3.784 -0.215 1
1 249 . 33 1 1 A 43 43 GLY HA3 H 463 3.569 3.847 -0.278 1
1 250 . 33 1 1 A 44 44 GLY H H 464 7.730 8.466 -0.736 1
1 251 . 33 1 1 A 44 44 GLY HA2 H 464 3.713 3.896 -0.183 1
1 252 . 33 1 1 A 44 44 GLY HA3 H 464 3.139 4.083 -0.944 1
1 253 . 33 1 1 A 45 45 THR H H 465 6.343 6.205 0.138 1
1 254 . 33 1 1 A 45 45 THR HA H 465 3.821 4.122 -0.301 1
1 259 . 33 1 1 A 46 46 CYS H H 466 8.406 8.687 -0.281 1
1 260 . 33 1 1 A 46 46 CYS HA H 466 5.281 5.337 -0.056 1
1 263 . 33 1 1 A 47 47 LYS H H 467 9.363 8.627 0.736 1
1 264 . 33 1 1 A 47 47 LYS HA H 467 4.547 5.029 -0.482 1
1 1 . 34 1 1 A 3 3 LYS H H 423 8.388 8.539 -0.151 1
1 2 . 34 1 1 A 3 3 LYS HA H 423 4.225 4.237 -0.012 1
1 11 . 34 1 1 A 5 5 SER H H 425 8.220 8.939 -0.719 1
1 12 . 34 1 1 A 5 5 SER HA H 425 4.336 4.005 0.331 1
1 15 . 34 1 1 A 6 6 LYS H H 426 8.327 7.668 0.659 1
1 16 . 34 1 1 A 6 6 LYS HA H 426 4.269 4.696 -0.427 1
1 25 . 34 1 1 A 7 7 SER H H 427 8.235 8.685 -0.450 1
1 26 . 34 1 1 A 7 7 SER HA H 427 4.343 4.581 -0.238 1
1 29 . 34 1 1 A 8 8 GLY H H 428 8.297 8.407 -0.110 1
1 30 . 34 1 1 A 8 8 GLY HA2 H 428 3.857 4.320 -0.463 1
1 31 . 34 1 1 A 8 8 GLY HA3 H 428 3.857 4.320 -0.463 1
1 32 . 34 1 1 A 9 9 VAL H H 429 7.813 8.298 -0.485 1
1 33 . 34 1 1 A 9 9 VAL HA H 429 4.322 4.754 -0.432 1
1 41 . 34 1 1 A 10 10 PRO HA H 430 4.351 4.369 -0.018 1
1 48 . 34 1 1 A 11 11 VAL H H 431 8.213 7.703 0.510 1
1 49 . 34 1 1 A 11 11 VAL HA H 431 4.019 4.052 -0.033 1
1 54 . 34 1 1 A 12 12 THR H H 432 8.064 8.571 -0.507 1
1 55 . 34 1 1 A 12 12 THR HA H 432 4.222 4.220 0.002 1
1 60 . 34 1 1 A 13 13 GLN H H 433 8.337 7.688 0.649 1
1 61 . 34 1 1 A 13 13 GLN HA H 433 4.333 4.429 -0.096 1
1 68 . 34 1 1 A 14 14 THR H H 434 8.134 8.696 -0.562 1
1 69 . 34 1 1 A 14 14 THR HA H 434 4.198 4.610 -0.412 1
1 74 . 34 1 1 A 15 15 GLN H H 435 8.373 8.515 -0.142 1
1 75 . 34 1 1 A 15 15 GLN HA H 435 4.332 3.982 0.350 1
1 82 . 34 1 1 A 16 16 THR H H 436 8.127 8.681 -0.554 1
1 83 . 34 1 1 A 16 16 THR HA H 436 4.207 4.379 -0.172 1
1 88 . 34 1 1 A 17 17 ALA H H 437 8.306 7.536 0.770 1
1 89 . 34 1 1 A 17 17 ALA HA H 437 4.239 4.013 0.226 1
1 93 . 34 1 1 A 18 18 GLY H H 438 8.285 8.452 -0.167 1
1 94 . 34 1 1 A 18 18 GLY HA2 H 438 3.839 4.019 -0.180 1
1 95 . 34 1 1 A 18 18 GLY HA3 H 438 3.839 4.019 -0.180 1
1 96 . 34 1 1 A 19 19 ALA H H 439 8.056 8.522 -0.466 1
1 97 . 34 1 1 A 19 19 ALA HA H 439 4.227 4.897 -0.670 1
1 101 . 34 1 1 A 20 20 ASP H H 440 8.325 9.009 -0.684 1
1 102 . 34 1 1 A 20 20 ASP HA H 440 4.567 4.427 0.140 1
1 105 . 34 1 1 A 21 21 THR H H 441 8.067 8.111 -0.044 1
1 106 . 34 1 1 A 21 21 THR HA H 441 4.300 4.519 -0.219 1
1 111 . 34 1 1 A 22 22 THR H H 442 8.131 7.833 0.298 1
1 112 . 34 1 1 A 22 22 THR HA H 442 4.176 4.482 -0.306 1
1 117 . 34 1 1 A 23 23 ALA H H 443 8.147 8.910 -0.763 1
1 118 . 34 1 1 A 23 23 ALA HA H 443 4.179 4.089 0.090 1
1 122 . 34 1 1 A 24 24 GLU H H 444 8.193 7.970 0.223 1
1 123 . 34 1 1 A 24 24 GLU HA H 444 4.206 4.274 -0.068 1
1 128 . 34 1 1 A 25 25 LYS H H 445 8.525 8.762 -0.237 1
1 129 . 34 1 1 A 25 25 LYS HA H 445 4.088 4.301 -0.213 1
1 138 . 34 1 1 A 26 26 CYS H H 446 8.624 8.331 0.293 1
1 139 . 34 1 1 A 26 26 CYS HA H 446 4.560 4.773 -0.213 1
1 142 . 34 1 1 A 27 27 LYS H H 447 7.925 7.488 0.437 1
1 143 . 34 1 1 A 27 27 LYS HA H 447 4.019 4.216 -0.197 1
1 152 . 34 1 1 A 28 28 GLY H H 448 8.873 8.441 0.432 1
1 153 . 34 1 1 A 28 28 GLY HA2 H 448 4.094 3.933 0.161 1
1 154 . 34 1 1 A 28 28 GLY HA3 H 448 3.665 3.946 -0.281 1
1 155 . 34 1 1 A 29 29 LYS H H 449 7.462 7.671 -0.209 1
1 156 . 34 1 1 A 29 29 LYS HA H 449 4.220 5.026 -0.806 1
1 165 . 34 1 1 A 30 30 GLY H H 450 8.669 8.638 0.031 1
1 166 . 34 1 1 A 30 30 GLY HA2 H 450 4.212 4.160 0.052 1
1 167 . 34 1 1 A 30 30 GLY HA3 H 450 3.563 4.297 -0.734 1
1 168 . 34 1 1 A 31 31 GLU H H 451 7.724 8.806 -1.082 1
1 169 . 34 1 1 A 31 31 GLU HA H 451 1.968 3.204 -1.236 1
1 174 . 34 1 1 A 32 32 LYS H H 452 8.012 8.110 -0.098 1
1 175 . 34 1 1 A 32 32 LYS HA H 452 3.712 4.264 -0.552 1
1 184 . 34 1 1 A 33 33 ASP H H 453 7.057 8.285 -1.228 1
1 185 . 34 1 1 A 33 33 ASP HA H 453 4.678 4.831 -0.153 1
1 188 . 34 1 1 A 34 34 CYS H H 454 7.329 8.015 -0.686 1
1 189 . 34 1 1 A 34 34 CYS HA H 454 4.350 4.511 -0.161 1
1 192 . 34 1 1 A 35 35 LYS H H 455 7.892 8.787 -0.895 1
1 193 . 34 1 1 A 35 35 LYS HA H 455 4.457 4.708 -0.251 1
1 202 . 34 1 1 A 36 36 SER H H 456 8.470 9.016 -0.546 1
1 203 . 34 1 1 A 36 36 SER HA H 456 4.624 4.926 -0.302 1
1 206 . 34 1 1 A 37 37 PRO HA H 457 4.723 4.307 0.416 1
1 213 . 34 1 1 A 38 38 ASP H H 458 8.115 8.329 -0.214 1
1 214 . 34 1 1 A 38 38 ASP HA H 458 4.230 4.483 -0.253 1
1 217 . 34 1 1 A 39 39 CYS H H 459 7.993 8.305 -0.312 1
1 218 . 34 1 1 A 39 39 CYS HA H 459 5.259 5.065 0.194 1
1 221 . 34 1 1 A 40 40 LYS H H 460 9.018 8.294 0.724 1
1 222 . 34 1 1 A 40 40 LYS HA H 460 4.441 4.757 -0.316 1
1 231 . 34 1 1 A 41 41 TRP H H 461 8.511 8.895 -0.384 1
1 232 . 34 1 1 A 41 41 TRP HA H 461 5.205 5.209 -0.004 1
1 241 . 34 1 1 A 42 42 GLU H H 462 8.310 8.853 -0.543 1
1 242 . 34 1 1 A 42 42 GLU HA H 462 4.308 4.576 -0.268 1
1 247 . 34 1 1 A 43 43 GLY H H 463 8.730 9.207 -0.477 1
1 248 . 34 1 1 A 43 43 GLY HA2 H 463 3.569 3.735 -0.166 1
1 249 . 34 1 1 A 43 43 GLY HA3 H 463 3.569 3.767 -0.198 1
1 250 . 34 1 1 A 44 44 GLY H H 464 7.730 8.414 -0.684 1
1 251 . 34 1 1 A 44 44 GLY HA2 H 464 3.713 3.740 -0.027 1
1 252 . 34 1 1 A 44 44 GLY HA3 H 464 3.139 3.824 -0.685 1
1 253 . 34 1 1 A 45 45 THR H H 465 6.343 6.571 -0.228 1
1 254 . 34 1 1 A 45 45 THR HA H 465 3.821 4.237 -0.416 1
1 259 . 34 1 1 A 46 46 CYS H H 466 8.406 8.815 -0.409 1
1 260 . 34 1 1 A 46 46 CYS HA H 466 5.281 5.225 0.056 1
1 263 . 34 1 1 A 47 47 LYS H H 467 9.363 8.629 0.734 1
1 264 . 34 1 1 A 47 47 LYS HA H 467 4.547 4.975 -0.428 1
1 1 . 35 1 1 A 3 3 LYS H H 423 8.388 8.770 -0.382 1
1 2 . 35 1 1 A 3 3 LYS HA H 423 4.225 4.364 -0.139 1
1 11 . 35 1 1 A 5 5 SER H H 425 8.220 7.755 0.465 1
1 12 . 35 1 1 A 5 5 SER HA H 425 4.336 4.445 -0.109 1
1 15 . 35 1 1 A 6 6 LYS H H 426 8.327 7.604 0.723 1
1 16 . 35 1 1 A 6 6 LYS HA H 426 4.269 4.583 -0.314 1
1 25 . 35 1 1 A 7 7 SER H H 427 8.235 8.683 -0.448 1
1 26 . 35 1 1 A 7 7 SER HA H 427 4.343 4.658 -0.315 1
1 29 . 35 1 1 A 8 8 GLY H H 428 8.297 8.703 -0.406 1
1 30 . 35 1 1 A 8 8 GLY HA2 H 428 3.857 3.830 0.027 1
1 31 . 35 1 1 A 8 8 GLY HA3 H 428 3.857 3.830 0.027 1
1 32 . 35 1 1 A 9 9 VAL H H 429 7.813 7.749 0.064 1
1 33 . 35 1 1 A 9 9 VAL HA H 429 4.322 4.165 0.157 1
1 41 . 35 1 1 A 10 10 PRO HA H 430 4.351 4.630 -0.279 1
1 48 . 35 1 1 A 11 11 VAL H H 431 8.213 8.151 0.062 1
1 49 . 35 1 1 A 11 11 VAL HA H 431 4.019 4.121 -0.102 1
1 54 . 35 1 1 A 12 12 THR H H 432 8.064 8.131 -0.067 1
1 55 . 35 1 1 A 12 12 THR HA H 432 4.222 4.239 -0.017 1
1 60 . 35 1 1 A 13 13 GLN H H 433 8.337 8.658 -0.321 1
1 61 . 35 1 1 A 13 13 GLN HA H 433 4.333 4.329 0.004 1
1 68 . 35 1 1 A 14 14 THR H H 434 8.134 8.575 -0.441 1
1 69 . 35 1 1 A 14 14 THR HA H 434 4.198 4.351 -0.153 1
1 74 . 35 1 1 A 15 15 GLN H H 435 8.373 8.146 0.227 1
1 75 . 35 1 1 A 15 15 GLN HA H 435 4.332 4.603 -0.271 1
1 82 . 35 1 1 A 16 16 THR H H 436 8.127 7.500 0.627 1
1 83 . 35 1 1 A 16 16 THR HA H 436 4.207 4.332 -0.125 1
1 88 . 35 1 1 A 17 17 ALA H H 437 8.306 8.702 -0.396 1
1 89 . 35 1 1 A 17 17 ALA HA H 437 4.239 4.461 -0.222 1
1 93 . 35 1 1 A 18 18 GLY H H 438 8.285 8.192 0.093 1
1 94 . 35 1 1 A 18 18 GLY HA2 H 438 3.839 3.911 -0.072 1
1 95 . 35 1 1 A 18 18 GLY HA3 H 438 3.839 3.911 -0.072 1
1 96 . 35 1 1 A 19 19 ALA H H 439 8.056 7.852 0.204 1
1 97 . 35 1 1 A 19 19 ALA HA H 439 4.227 4.531 -0.304 1
1 101 . 35 1 1 A 20 20 ASP H H 440 8.325 7.680 0.645 1
1 102 . 35 1 1 A 20 20 ASP HA H 440 4.567 4.674 -0.107 1
1 105 . 35 1 1 A 21 21 THR H H 441 8.067 8.575 -0.508 1
1 106 . 35 1 1 A 21 21 THR HA H 441 4.300 4.158 0.142 1
1 111 . 35 1 1 A 22 22 THR H H 442 8.131 7.597 0.534 1
1 112 . 35 1 1 A 22 22 THR HA H 442 4.176 4.612 -0.436 1
1 117 . 35 1 1 A 23 23 ALA H H 443 8.147 8.226 -0.079 1
1 118 . 35 1 1 A 23 23 ALA HA H 443 4.179 4.462 -0.283 1
1 122 . 35 1 1 A 24 24 GLU H H 444 8.193 8.131 0.062 1
1 123 . 35 1 1 A 24 24 GLU HA H 444 4.206 4.081 0.125 1
1 128 . 35 1 1 A 25 25 LYS H H 445 8.525 7.525 1.000 1
1 129 . 35 1 1 A 25 25 LYS HA H 445 4.088 4.031 0.057 1
1 138 . 35 1 1 A 26 26 CYS H H 446 8.624 7.542 1.082 1
1 139 . 35 1 1 A 26 26 CYS HA H 446 4.560 4.744 -0.184 1
1 142 . 35 1 1 A 27 27 LYS H H 447 7.925 7.823 0.102 1
1 143 . 35 1 1 A 27 27 LYS HA H 447 4.019 3.862 0.157 1
1 152 . 35 1 1 A 28 28 GLY H H 448 8.873 8.814 0.059 1
1 153 . 35 1 1 A 28 28 GLY HA2 H 448 4.094 3.927 0.167 1
1 154 . 35 1 1 A 28 28 GLY HA3 H 448 3.665 3.932 -0.267 1
1 155 . 35 1 1 A 29 29 LYS H H 449 7.462 7.564 -0.102 1
1 156 . 35 1 1 A 29 29 LYS HA H 449 4.220 4.569 -0.349 1
1 165 . 35 1 1 A 30 30 GLY H H 450 8.669 8.586 0.083 1
1 166 . 35 1 1 A 30 30 GLY HA2 H 450 4.212 4.128 0.084 1
1 167 . 35 1 1 A 30 30 GLY HA3 H 450 3.563 4.283 -0.720 1
1 168 . 35 1 1 A 31 31 GLU H H 451 7.724 8.771 -1.047 1
1 169 . 35 1 1 A 31 31 GLU HA H 451 1.968 2.704 -0.736 1
1 174 . 35 1 1 A 32 32 LYS H H 452 8.012 7.821 0.191 1
1 175 . 35 1 1 A 32 32 LYS HA H 452 3.712 3.937 -0.225 1
1 184 . 35 1 1 A 33 33 ASP H H 453 7.057 7.951 -0.894 1
1 185 . 35 1 1 A 33 33 ASP HA H 453 4.678 4.436 0.242 1
1 188 . 35 1 1 A 34 34 CYS H H 454 7.329 8.534 -1.205 1
1 189 . 35 1 1 A 34 34 CYS HA H 454 4.350 4.520 -0.170 1
1 192 . 35 1 1 A 35 35 LYS H H 455 7.892 8.902 -1.010 1
1 193 . 35 1 1 A 35 35 LYS HA H 455 4.457 4.409 0.048 1
1 202 . 35 1 1 A 36 36 SER H H 456 8.470 8.999 -0.529 1
1 203 . 35 1 1 A 36 36 SER HA H 456 4.624 4.597 0.027 1
1 206 . 35 1 1 A 37 37 PRO HA H 457 4.723 4.314 0.409 1
1 213 . 35 1 1 A 38 38 ASP H H 458 8.115 8.400 -0.285 1
1 214 . 35 1 1 A 38 38 ASP HA H 458 4.230 4.369 -0.139 1
1 217 . 35 1 1 A 39 39 CYS H H 459 7.993 8.388 -0.395 1
1 218 . 35 1 1 A 39 39 CYS HA H 459 5.259 4.970 0.289 1
1 221 . 35 1 1 A 40 40 LYS H H 460 9.018 8.370 0.648 1
1 222 . 35 1 1 A 40 40 LYS HA H 460 4.441 4.411 0.030 1
1 231 . 35 1 1 A 41 41 TRP H H 461 8.511 8.695 -0.184 1
1 232 . 35 1 1 A 41 41 TRP HA H 461 5.205 5.124 0.081 1
1 241 . 35 1 1 A 42 42 GLU H H 462 8.310 8.438 -0.128 1
1 242 . 35 1 1 A 42 42 GLU HA H 462 4.308 4.243 0.065 1
1 247 . 35 1 1 A 43 43 GLY H H 463 8.730 7.001 1.729 1
1 248 . 35 1 1 A 43 43 GLY HA2 H 463 3.569 4.075 -0.506 1
1 249 . 35 1 1 A 43 43 GLY HA3 H 463 3.569 4.181 -0.612 1
1 250 . 35 1 1 A 44 44 GLY H H 464 7.730 7.070 0.660 1
1 251 . 35 1 1 A 44 44 GLY HA2 H 464 3.713 3.928 -0.215 1
1 252 . 35 1 1 A 44 44 GLY HA3 H 464 3.139 4.132 -0.993 1
1 253 . 35 1 1 A 45 45 THR H H 465 6.343 7.388 -1.045 1
1 254 . 35 1 1 A 45 45 THR HA H 465 3.821 4.079 -0.258 1
1 259 . 35 1 1 A 46 46 CYS H H 466 8.406 8.961 -0.555 1
1 260 . 35 1 1 A 46 46 CYS HA H 466 5.281 5.407 -0.126 1
1 263 . 35 1 1 A 47 47 LYS H H 467 9.363 9.169 0.194 1
1 264 . 35 1 1 A 47 47 LYS HA H 467 4.547 5.023 -0.476 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 0 0.000 1
3 1 1 1 "RMS(OBS, PRED)" CB 0 0.000 1
4 1 1 1 "RMS(OBS, PRED)" H 42 0.493 1
5 1 1 1 "RMS(OBS, PRED)" HA 50 0.272 1
6 1 1 1 "RMS(OBS, PRED)" N 0 0.000 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 0 0.000 1
9 1 2 1 "RMS(OBS, PRED)" CB 0 0.000 1
10 1 2 1 "RMS(OBS, PRED)" H 42 0.483 1
11 1 2 1 "RMS(OBS, PRED)" HA 50 0.318 1
12 1 2 1 "RMS(OBS, PRED)" N 0 0.000 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 0 0.000 1
15 1 3 1 "RMS(OBS, PRED)" CB 0 0.000 1
16 1 3 1 "RMS(OBS, PRED)" H 42 0.577 1
17 1 3 1 "RMS(OBS, PRED)" HA 50 0.323 1
18 1 3 1 "RMS(OBS, PRED)" N 0 0.000 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 0 0.000 1
21 1 4 1 "RMS(OBS, PRED)" CB 0 0.000 1
22 1 4 1 "RMS(OBS, PRED)" H 42 0.508 1
23 1 4 1 "RMS(OBS, PRED)" HA 50 0.316 1
24 1 4 1 "RMS(OBS, PRED)" N 0 0.000 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 0 0.000 1
27 1 5 1 "RMS(OBS, PRED)" CB 0 0.000 1
28 1 5 1 "RMS(OBS, PRED)" H 42 0.559 1
29 1 5 1 "RMS(OBS, PRED)" HA 50 0.349 1
30 1 5 1 "RMS(OBS, PRED)" N 0 0.000 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 0 0.000 1
33 1 6 1 "RMS(OBS, PRED)" CB 0 0.000 1
34 1 6 1 "RMS(OBS, PRED)" H 42 0.462 1
35 1 6 1 "RMS(OBS, PRED)" HA 50 0.318 1
36 1 6 1 "RMS(OBS, PRED)" N 0 0.000 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 0 0.000 1
39 1 7 1 "RMS(OBS, PRED)" CB 0 0.000 1
40 1 7 1 "RMS(OBS, PRED)" H 42 0.565 1
41 1 7 1 "RMS(OBS, PRED)" HA 50 0.410 1
42 1 7 1 "RMS(OBS, PRED)" N 0 0.000 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 0 0.000 1
45 1 8 1 "RMS(OBS, PRED)" CB 0 0.000 1
46 1 8 1 "RMS(OBS, PRED)" H 42 0.440 1
47 1 8 1 "RMS(OBS, PRED)" HA 50 0.326 1
48 1 8 1 "RMS(OBS, PRED)" N 0 0.000 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 0 0.000 1
51 1 9 1 "RMS(OBS, PRED)" CB 0 0.000 1
52 1 9 1 "RMS(OBS, PRED)" H 42 0.513 1
53 1 9 1 "RMS(OBS, PRED)" HA 50 0.311 1
54 1 9 1 "RMS(OBS, PRED)" N 0 0.000 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 0 0.000 1
57 1 10 1 "RMS(OBS, PRED)" CB 0 0.000 1
58 1 10 1 "RMS(OBS, PRED)" H 42 0.549 1
59 1 10 1 "RMS(OBS, PRED)" HA 50 0.292 1
60 1 10 1 "RMS(OBS, PRED)" N 0 0.000 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 0 0.000 1
63 1 11 1 "RMS(OBS, PRED)" CB 0 0.000 1
64 1 11 1 "RMS(OBS, PRED)" H 42 0.484 1
65 1 11 1 "RMS(OBS, PRED)" HA 50 0.387 1
66 1 11 1 "RMS(OBS, PRED)" N 0 0.000 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 0 0.000 1
69 1 12 1 "RMS(OBS, PRED)" CB 0 0.000 1
70 1 12 1 "RMS(OBS, PRED)" H 42 0.597 1
71 1 12 1 "RMS(OBS, PRED)" HA 50 0.325 1
72 1 12 1 "RMS(OBS, PRED)" N 0 0.000 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 0 0.000 1
75 1 13 1 "RMS(OBS, PRED)" CB 0 0.000 1
76 1 13 1 "RMS(OBS, PRED)" H 42 0.541 1
77 1 13 1 "RMS(OBS, PRED)" HA 50 0.300 1
78 1 13 1 "RMS(OBS, PRED)" N 0 0.000 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 0 0.000 1
81 1 14 1 "RMS(OBS, PRED)" CB 0 0.000 1
82 1 14 1 "RMS(OBS, PRED)" H 42 0.535 1
83 1 14 1 "RMS(OBS, PRED)" HA 50 0.405 1
84 1 14 1 "RMS(OBS, PRED)" N 0 0.000 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 0 0.000 1
87 1 15 1 "RMS(OBS, PRED)" CB 0 0.000 1
88 1 15 1 "RMS(OBS, PRED)" H 42 0.521 1
89 1 15 1 "RMS(OBS, PRED)" HA 50 0.296 1
90 1 15 1 "RMS(OBS, PRED)" N 0 0.000 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 0 0.000 1
93 1 16 1 "RMS(OBS, PRED)" CB 0 0.000 1
94 1 16 1 "RMS(OBS, PRED)" H 42 0.444 1
95 1 16 1 "RMS(OBS, PRED)" HA 50 0.335 1
96 1 16 1 "RMS(OBS, PRED)" N 0 0.000 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 0 0.000 1
99 1 17 1 "RMS(OBS, PRED)" CB 0 0.000 1
100 1 17 1 "RMS(OBS, PRED)" H 42 0.524 1
101 1 17 1 "RMS(OBS, PRED)" HA 50 0.348 1
102 1 17 1 "RMS(OBS, PRED)" N 0 0.000 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 0 0.000 1
105 1 18 1 "RMS(OBS, PRED)" CB 0 0.000 1
106 1 18 1 "RMS(OBS, PRED)" H 42 0.544 1
107 1 18 1 "RMS(OBS, PRED)" HA 50 0.402 1
108 1 18 1 "RMS(OBS, PRED)" N 0 0.000 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 0 0.000 1
111 1 19 1 "RMS(OBS, PRED)" CB 0 0.000 1
112 1 19 1 "RMS(OBS, PRED)" H 42 0.477 1
113 1 19 1 "RMS(OBS, PRED)" HA 50 0.258 1
114 1 19 1 "RMS(OBS, PRED)" N 0 0.000 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 0 0.000 1
117 1 20 1 "RMS(OBS, PRED)" CB 0 0.000 1
118 1 20 1 "RMS(OBS, PRED)" H 42 0.563 1
119 1 20 1 "RMS(OBS, PRED)" HA 50 0.292 1
120 1 20 1 "RMS(OBS, PRED)" N 0 0.000 1
121 1 21 1 "RMS(OBS, PRED)" C 0 0.000 1
122 1 21 1 "RMS(OBS, PRED)" CA 0 0.000 1
123 1 21 1 "RMS(OBS, PRED)" CB 0 0.000 1
124 1 21 1 "RMS(OBS, PRED)" H 42 0.555 1
125 1 21 1 "RMS(OBS, PRED)" HA 50 0.319 1
126 1 21 1 "RMS(OBS, PRED)" N 0 0.000 1
127 1 22 1 "RMS(OBS, PRED)" C 0 0.000 1
128 1 22 1 "RMS(OBS, PRED)" CA 0 0.000 1
129 1 22 1 "RMS(OBS, PRED)" CB 0 0.000 1
130 1 22 1 "RMS(OBS, PRED)" H 42 0.592 1
131 1 22 1 "RMS(OBS, PRED)" HA 50 0.351 1
132 1 22 1 "RMS(OBS, PRED)" N 0 0.000 1
133 1 23 1 "RMS(OBS, PRED)" C 0 0.000 1
134 1 23 1 "RMS(OBS, PRED)" CA 0 0.000 1
135 1 23 1 "RMS(OBS, PRED)" CB 0 0.000 1
136 1 23 1 "RMS(OBS, PRED)" H 42 0.566 1
137 1 23 1 "RMS(OBS, PRED)" HA 50 0.344 1
138 1 23 1 "RMS(OBS, PRED)" N 0 0.000 1
139 1 24 1 "RMS(OBS, PRED)" C 0 0.000 1
140 1 24 1 "RMS(OBS, PRED)" CA 0 0.000 1
141 1 24 1 "RMS(OBS, PRED)" CB 0 0.000 1
142 1 24 1 "RMS(OBS, PRED)" H 42 0.497 1
143 1 24 1 "RMS(OBS, PRED)" HA 50 0.394 1
144 1 24 1 "RMS(OBS, PRED)" N 0 0.000 1
145 1 25 1 "RMS(OBS, PRED)" C 0 0.000 1
146 1 25 1 "RMS(OBS, PRED)" CA 0 0.000 1
147 1 25 1 "RMS(OBS, PRED)" CB 0 0.000 1
148 1 25 1 "RMS(OBS, PRED)" H 42 0.566 1
149 1 25 1 "RMS(OBS, PRED)" HA 50 0.270 1
150 1 25 1 "RMS(OBS, PRED)" N 0 0.000 1
151 1 26 1 "RMS(OBS, PRED)" C 0 0.000 1
152 1 26 1 "RMS(OBS, PRED)" CA 0 0.000 1
153 1 26 1 "RMS(OBS, PRED)" CB 0 0.000 1
154 1 26 1 "RMS(OBS, PRED)" H 42 0.626 1
155 1 26 1 "RMS(OBS, PRED)" HA 50 0.322 1
156 1 26 1 "RMS(OBS, PRED)" N 0 0.000 1
157 1 27 1 "RMS(OBS, PRED)" C 0 0.000 1
158 1 27 1 "RMS(OBS, PRED)" CA 0 0.000 1
159 1 27 1 "RMS(OBS, PRED)" CB 0 0.000 1
160 1 27 1 "RMS(OBS, PRED)" H 42 0.547 1
161 1 27 1 "RMS(OBS, PRED)" HA 50 0.310 1
162 1 27 1 "RMS(OBS, PRED)" N 0 0.000 1
163 1 28 1 "RMS(OBS, PRED)" C 0 0.000 1
164 1 28 1 "RMS(OBS, PRED)" CA 0 0.000 1
165 1 28 1 "RMS(OBS, PRED)" CB 0 0.000 1
166 1 28 1 "RMS(OBS, PRED)" H 42 0.524 1
167 1 28 1 "RMS(OBS, PRED)" HA 50 0.259 1
168 1 28 1 "RMS(OBS, PRED)" N 0 0.000 1
169 1 29 1 "RMS(OBS, PRED)" C 0 0.000 1
170 1 29 1 "RMS(OBS, PRED)" CA 0 0.000 1
171 1 29 1 "RMS(OBS, PRED)" CB 0 0.000 1
172 1 29 1 "RMS(OBS, PRED)" H 42 0.530 1
173 1 29 1 "RMS(OBS, PRED)" HA 50 0.291 1
174 1 29 1 "RMS(OBS, PRED)" N 0 0.000 1
175 1 30 1 "RMS(OBS, PRED)" C 0 0.000 1
176 1 30 1 "RMS(OBS, PRED)" CA 0 0.000 1
177 1 30 1 "RMS(OBS, PRED)" CB 0 0.000 1
178 1 30 1 "RMS(OBS, PRED)" H 42 0.454 1
179 1 30 1 "RMS(OBS, PRED)" HA 50 0.386 1
180 1 30 1 "RMS(OBS, PRED)" N 0 0.000 1
181 1 31 1 "RMS(OBS, PRED)" C 0 0.000 1
182 1 31 1 "RMS(OBS, PRED)" CA 0 0.000 1
183 1 31 1 "RMS(OBS, PRED)" CB 0 0.000 1
184 1 31 1 "RMS(OBS, PRED)" H 42 0.550 1
185 1 31 1 "RMS(OBS, PRED)" HA 50 0.322 1
186 1 31 1 "RMS(OBS, PRED)" N 0 0.000 1
187 1 32 1 "RMS(OBS, PRED)" C 0 0.000 1
188 1 32 1 "RMS(OBS, PRED)" CA 0 0.000 1
189 1 32 1 "RMS(OBS, PRED)" CB 0 0.000 1
190 1 32 1 "RMS(OBS, PRED)" H 42 0.514 1
191 1 32 1 "RMS(OBS, PRED)" HA 50 0.272 1
192 1 32 1 "RMS(OBS, PRED)" N 0 0.000 1
193 1 33 1 "RMS(OBS, PRED)" C 0 0.000 1
194 1 33 1 "RMS(OBS, PRED)" CA 0 0.000 1
195 1 33 1 "RMS(OBS, PRED)" CB 0 0.000 1
196 1 33 1 "RMS(OBS, PRED)" H 42 0.522 1
197 1 33 1 "RMS(OBS, PRED)" HA 50 0.373 1
198 1 33 1 "RMS(OBS, PRED)" N 0 0.000 1
199 1 34 1 "RMS(OBS, PRED)" C 0 0.000 1
200 1 34 1 "RMS(OBS, PRED)" CA 0 0.000 1
201 1 34 1 "RMS(OBS, PRED)" CB 0 0.000 1
202 1 34 1 "RMS(OBS, PRED)" H 42 0.550 1
203 1 34 1 "RMS(OBS, PRED)" HA 50 0.366 1
204 1 34 1 "RMS(OBS, PRED)" N 0 0.000 1
205 1 35 1 "RMS(OBS, PRED)" C 0 0.000 1
206 1 35 1 "RMS(OBS, PRED)" CA 0 0.000 1
207 1 35 1 "RMS(OBS, PRED)" CB 0 0.000 1
208 1 35 1 "RMS(OBS, PRED)" H 42 0.618 1
209 1 35 1 "RMS(OBS, PRED)" HA 50 0.294 1
210 1 35 1 "RMS(OBS, PRED)" N 0 0.000 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 3 3 LYS H H 423 8.388 8.318 0.071 2
1 2 . 1 1 A 3 3 LYS HA H 423 4.225 4.334 -0.109 2
1 11 . 1 1 A 5 5 SER H H 425 8.220 8.389 -0.169 2
1 12 . 1 1 A 5 5 SER HA H 425 4.336 4.420 -0.084 2
1 15 . 1 1 A 6 6 LYS H H 426 8.327 8.276 0.052 2
1 16 . 1 1 A 6 6 LYS HA H 426 4.269 4.322 -0.053 2
1 25 . 1 1 A 7 7 SER H H 427 8.235 8.311 -0.076 2
1 26 . 1 1 A 7 7 SER HA H 427 4.343 4.530 -0.188 2
1 29 . 1 1 A 8 8 GLY H H 428 8.297 8.302 -0.005 2
1 30 . 1 1 A 8 8 GLY HA2 H 428 3.857 4.021 -0.164 2
1 31 . 1 1 A 8 8 GLY HA3 H 428 3.857 4.021 -0.164 2
1 32 . 1 1 A 9 9 VAL H H 429 7.813 8.257 -0.444 2
1 33 . 1 1 A 9 9 VAL HA H 429 4.322 4.325 -0.003 2
1 41 . 1 1 A 10 10 PRO HA H 430 4.351 4.538 -0.187 2
1 48 . 1 1 A 11 11 VAL H H 431 8.213 8.164 0.049 2
1 49 . 1 1 A 11 11 VAL HA H 431 4.019 4.125 -0.106 2
1 54 . 1 1 A 12 12 THR H H 432 8.064 8.271 -0.207 2
1 55 . 1 1 A 12 12 THR HA H 432 4.222 4.267 -0.045 2
1 60 . 1 1 A 13 13 GLN H H 433 8.337 8.328 0.009 2
1 61 . 1 1 A 13 13 GLN HA H 433 4.333 4.421 -0.089 2
1 68 . 1 1 A 14 14 THR H H 434 8.134 8.304 -0.170 2
1 69 . 1 1 A 14 14 THR HA H 434 4.198 4.323 -0.125 2
1 74 . 1 1 A 15 15 GLN H H 435 8.373 8.271 0.102 2
1 75 . 1 1 A 15 15 GLN HA H 435 4.332 4.334 -0.002 2
1 82 . 1 1 A 16 16 THR H H 436 8.127 8.318 -0.190 2
1 83 . 1 1 A 16 16 THR HA H 436 4.207 4.307 -0.100 2
1 88 . 1 1 A 17 17 ALA H H 437 8.306 8.216 0.090 2
1 89 . 1 1 A 17 17 ALA HA H 437 4.239 4.239 0.000 2
1 93 . 1 1 A 18 18 GLY H H 438 8.285 8.360 -0.075 2
1 94 . 1 1 A 18 18 GLY HA2 H 438 3.839 3.998 -0.159 2
1 95 . 1 1 A 18 18 GLY HA3 H 438 3.839 3.999 -0.160 2
1 96 . 1 1 A 19 19 ALA H H 439 8.056 8.065 -0.009 2
1 97 . 1 1 A 19 19 ALA HA H 439 4.227 4.340 -0.112 2
1 101 . 1 1 A 20 20 ASP H H 440 8.325 8.388 -0.063 2
1 102 . 1 1 A 20 20 ASP HA H 440 4.567 4.567 -0.000 2
1 105 . 1 1 A 21 21 THR H H 441 8.067 8.260 -0.193 2
1 106 . 1 1 A 21 21 THR HA H 441 4.300 4.214 0.086 2
1 111 . 1 1 A 22 22 THR H H 442 8.131 8.056 0.075 2
1 112 . 1 1 A 22 22 THR HA H 442 4.176 4.383 -0.207 2
1 117 . 1 1 A 23 23 ALA H H 443 8.147 8.412 -0.265 2
1 118 . 1 1 A 23 23 ALA HA H 443 4.179 4.200 -0.021 2
1 122 . 1 1 A 24 24 GLU H H 444 8.193 8.235 -0.042 2
1 123 . 1 1 A 24 24 GLU HA H 444 4.206 4.310 -0.104 2
1 128 . 1 1 A 25 25 LYS H H 445 8.525 8.200 0.325 2
1 129 . 1 1 A 25 25 LYS HA H 445 4.088 4.044 0.044 2
1 138 . 1 1 A 26 26 CYS H H 446 8.624 7.953 0.671 2
1 139 . 1 1 A 26 26 CYS HA H 446 4.560 4.578 -0.018 2
1 142 . 1 1 A 27 27 LYS H H 447 7.925 7.766 0.159 2
1 143 . 1 1 A 27 27 LYS HA H 447 4.019 4.182 -0.163 2
1 152 . 1 1 A 28 28 GLY H H 448 8.873 8.876 -0.003 2
1 153 . 1 1 A 28 28 GLY HA2 H 448 4.094 3.988 0.106 2
1 154 . 1 1 A 28 28 GLY HA3 H 448 3.665 3.996 -0.331 2
1 155 . 1 1 A 29 29 LYS H H 449 7.462 7.859 -0.397 2
1 156 . 1 1 A 29 29 LYS HA H 449 4.220 4.480 -0.260 2
1 165 . 1 1 A 30 30 GLY H H 450 8.669 8.429 0.240 2
1 166 . 1 1 A 30 30 GLY HA2 H 450 4.212 4.120 0.092 2
1 167 . 1 1 A 30 30 GLY HA3 H 450 3.563 4.266 -0.703 2
1 168 . 1 1 A 31 31 GLU H H 451 7.724 8.632 -0.908 2
1 169 . 1 1 A 31 31 GLU HA H 451 1.968 2.659 -0.691 2
1 174 . 1 1 A 32 32 LYS H H 452 8.012 7.855 0.157 2
1 175 . 1 1 A 32 32 LYS HA H 452 3.712 4.009 -0.297 2
1 184 . 1 1 A 33 33 ASP H H 453 7.057 7.925 -0.868 2
1 185 . 1 1 A 33 33 ASP HA H 453 4.678 4.454 0.224 2
1 188 . 1 1 A 34 34 CYS H H 454 7.329 8.214 -0.885 2
1 189 . 1 1 A 34 34 CYS HA H 454 4.350 4.509 -0.159 2
1 192 . 1 1 A 35 35 LYS H H 455 7.892 8.590 -0.698 2
1 193 . 1 1 A 35 35 LYS HA H 455 4.457 4.492 -0.035 2
1 202 . 1 1 A 36 36 SER H H 456 8.470 8.871 -0.401 2
1 203 . 1 1 A 36 36 SER HA H 456 4.624 4.622 0.002 2
1 206 . 1 1 A 37 37 PRO HA H 457 4.723 4.364 0.359 2
1 213 . 1 1 A 38 38 ASP H H 458 8.115 8.351 -0.236 2
1 214 . 1 1 A 38 38 ASP HA H 458 4.230 4.493 -0.263 2
1 217 . 1 1 A 39 39 CYS H H 459 7.993 8.240 -0.247 2
1 218 . 1 1 A 39 39 CYS HA H 459 5.259 4.980 0.279 2
1 221 . 1 1 A 40 40 LYS H H 460 9.018 8.556 0.462 2
1 222 . 1 1 A 40 40 LYS HA H 460 4.441 4.740 -0.299 2
1 231 . 1 1 A 41 41 TRP H H 461 8.511 8.901 -0.390 2
1 232 . 1 1 A 41 41 TRP HA H 461 5.205 5.095 0.110 2
1 241 . 1 1 A 42 42 GLU H H 462 8.310 8.550 -0.240 2
1 242 . 1 1 A 42 42 GLU HA H 462 4.308 4.432 -0.124 2
1 247 . 1 1 A 43 43 GLY H H 463 8.730 8.490 0.240 2
1 248 . 1 1 A 43 43 GLY HA2 H 463 3.569 3.790 -0.221 2
1 249 . 1 1 A 43 43 GLY HA3 H 463 3.569 3.840 -0.271 2
1 250 . 1 1 A 44 44 GLY H H 464 7.730 8.010 -0.280 2
1 251 . 1 1 A 44 44 GLY HA2 H 464 3.713 3.849 -0.136 2
1 252 . 1 1 A 44 44 GLY HA3 H 464 3.139 3.956 -0.817 2
1 253 . 1 1 A 45 45 THR H H 465 6.343 6.738 -0.395 2
1 254 . 1 1 A 45 45 THR HA H 465 3.821 4.299 -0.478 2
1 259 . 1 1 A 46 46 CYS H H 466 8.406 8.804 -0.398 2
1 260 . 1 1 A 46 46 CYS HA H 466 5.281 5.224 0.057 2
1 263 . 1 1 A 47 47 LYS H H 467 9.363 8.906 0.457 2
1 264 . 1 1 A 47 47 LYS HA H 467 4.547 5.039 -0.492 2
stop_
save_