data_16181_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16181
_Entry.PDB_ID 2KFH
_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 10
_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 7 7 ASP H H 41 8.479 8.511 -0.032 1
1 2 . 1 1 1 A 7 7 ASP HA H 41 4.595 5.200 -0.605 1
1 5 . 1 1 1 A 7 7 ASP CA C 41 52.900 52.834 0.066 1
1 6 . 1 1 1 A 7 7 ASP CB C 41 39.760 43.475 -3.715 1
1 7 . 1 1 1 A 7 7 ASP N N 41 124.447 126.419 -1.972 1
1 8 . 1 1 1 A 8 8 VAL H H 42 7.916 8.695 -0.779 1
1 9 . 1 1 1 A 8 8 VAL HA H 42 4.140 4.294 -0.154 1
1 17 . 1 1 1 A 8 8 VAL CA C 42 60.610 62.263 -1.653 1
1 18 . 1 1 1 A 8 8 VAL CB C 42 32.160 33.020 -0.860 1
1 21 . 1 1 1 A 8 8 VAL N N 42 120.853 126.865 -6.012 1
1 22 . 1 1 1 A 9 9 GLU H H 43 8.476 8.499 -0.023 1
1 23 . 1 1 1 A 9 9 GLU HA H 43 4.290 4.481 -0.191 1
1 28 . 1 1 1 A 9 9 GLU CA C 43 55.500 56.797 -1.297 1
1 29 . 1 1 1 A 9 9 GLU CB C 43 29.400 29.916 -0.516 1
1 31 . 1 1 1 A 9 9 GLU N N 43 127.650 128.159 -0.509 1
1 32 . 1 1 1 A 10 10 TRP H H 44 8.839 8.896 -0.057 1
1 33 . 1 1 1 A 10 10 TRP HA H 44 5.220 4.842 0.378 1
1 42 . 1 1 1 A 10 10 TRP CA C 44 54.040 55.921 -1.881 1
1 43 . 1 1 1 A 10 10 TRP CB C 44 27.800 29.788 -1.988 1
1 49 . 1 1 1 A 10 10 TRP N N 44 126.378 129.274 -2.896 1
1 50 . 1 1 1 A 11 11 VAL H H 45 9.230 8.342 0.888 1
1 51 . 1 1 1 A 11 11 VAL HA H 45 3.891 3.846 0.045 1
1 59 . 1 1 1 A 11 11 VAL CA C 45 63.530 64.036 -0.506 1
1 60 . 1 1 1 A 11 11 VAL CB C 45 30.700 31.599 -0.899 1
1 63 . 1 1 1 A 11 11 VAL N N 45 131.353 127.694 3.659 1
1 64 . 1 1 1 A 12 12 VAL H H 46 5.000 7.095 -2.095 1
1 65 . 1 1 1 A 12 12 VAL HA H 46 3.033 3.127 -0.094 1
1 73 . 1 1 1 A 12 12 VAL CA C 46 60.650 65.586 -4.936 1
1 74 . 1 1 1 A 12 12 VAL CB C 46 29.280 30.508 -1.228 1
1 77 . 1 1 1 A 13 13 GLY H H 47 7.330 7.957 -0.627 1
1 78 . 1 1 1 A 13 13 GLY HA2 H 47 3.580 3.773 -0.193 1
1 79 . 1 1 1 A 13 13 GLY HA3 H 47 4.180 3.865 0.315 1
1 80 . 1 1 1 A 13 13 GLY CA C 47 46.760 46.321 0.439 1
1 81 . 1 1 1 A 14 14 LYS H H 48 7.570 8.621 -1.051 1
1 82 . 1 1 1 A 14 14 LYS HA H 48 4.065 4.037 0.028 1
1 91 . 1 1 1 A 14 14 LYS CA C 48 57.700 58.746 -1.046 1
1 92 . 1 1 1 A 14 14 LYS CB C 48 30.700 31.442 -0.742 1
1 96 . 1 1 1 A 14 14 LYS N N 48 121.084 117.571 3.513 1
1 97 . 1 1 1 A 15 15 ASP H H 49 7.309 7.224 0.085 1
1 98 . 1 1 1 A 15 15 ASP HA H 49 4.778 4.737 0.041 1
1 101 . 1 1 1 A 15 15 ASP CA C 49 52.880 52.273 0.607 1
1 102 . 1 1 1 A 15 15 ASP CB C 49 42.300 41.633 0.667 1
1 103 . 1 1 1 A 15 15 ASP N N 49 118.181 119.076 -0.895 1
1 104 . 1 1 1 A 16 16 LYS H H 50 7.506 7.565 -0.059 1
1 105 . 1 1 1 A 16 16 LYS HA H 50 4.061 3.982 0.079 1
1 114 . 1 1 1 A 16 16 LYS CA C 50 60.610 61.248 -0.638 1
1 115 . 1 1 1 A 16 16 LYS CB C 50 30.700 30.712 -0.012 1
1 119 . 1 1 1 A 16 16 LYS N N 50 123.633 121.494 2.139 1
1 120 . 1 1 1 A 17 17 PRO HA H 51 4.430 4.191 0.239 1
1 127 . 1 1 1 A 17 17 PRO CA C 51 65.720 65.912 -0.192 1
1 128 . 1 1 1 A 17 17 PRO CB C 51 29.970 30.856 -0.886 1
1 131 . 1 1 1 A 18 18 THR H H 52 7.280 7.451 -0.171 1
1 132 . 1 1 1 A 18 18 THR HA H 52 3.970 3.971 -0.001 1
1 137 . 1 1 1 A 18 18 THR CA C 52 64.990 65.215 -0.225 1
1 138 . 1 1 1 A 18 18 THR CB C 52 67.170 68.076 -0.906 1
1 140 . 1 1 1 A 18 18 THR N N 52 115.095 112.254 2.841 1
1 141 . 1 1 1 A 19 19 TYR H H 53 7.083 6.963 0.120 1
1 142 . 1 1 1 A 19 19 TYR HA H 53 4.716 4.472 0.244 1
1 149 . 1 1 1 A 19 19 TYR CA C 53 57.400 62.081 -4.681 1
1 150 . 1 1 1 A 19 19 TYR CB C 53 35.800 37.338 -1.538 1
1 155 . 1 1 1 A 19 19 TYR N N 53 125.380 119.495 5.885 1
1 156 . 1 1 1 A 20 20 ASP H H 54 9.596 8.789 0.807 1
1 157 . 1 1 1 A 20 20 ASP HA H 54 4.492 4.459 0.033 1
1 160 . 1 1 1 A 20 20 ASP CA C 54 56.200 57.640 -1.440 1
1 161 . 1 1 1 A 20 20 ASP CB C 54 38.730 41.200 -2.470 1
1 162 . 1 1 1 A 20 20 ASP N N 54 124.548 122.140 2.408 1
1 163 . 1 1 1 A 21 21 GLU H H 55 7.309 7.922 -0.613 1
1 164 . 1 1 1 A 21 21 GLU HA H 55 4.140 4.053 0.087 1
1 169 . 1 1 1 A 21 21 GLU CA C 55 58.420 58.984 -0.564 1
1 170 . 1 1 1 A 21 21 GLU CB C 55 29.250 29.369 -0.119 1
1 172 . 1 1 1 A 21 21 GLU N N 55 118.181 118.262 -0.081 1
1 173 . 1 1 1 A 22 22 ILE H H 56 7.249 7.676 -0.427 1
1 174 . 1 1 1 A 22 22 ILE HA H 56 3.940 4.229 -0.289 1
1 184 . 1 1 1 A 22 22 ILE CA C 56 62.870 63.889 -1.019 1
1 185 . 1 1 1 A 22 22 ILE CB C 56 38.000 37.022 0.978 1
1 189 . 1 1 1 A 22 22 ILE N N 56 118.978 121.707 -2.729 1
1 190 . 1 1 1 A 23 23 PHE H H 57 9.117 8.649 0.468 1
1 191 . 1 1 1 A 23 23 PHE HA H 57 3.090 3.879 -0.789 1
1 199 . 1 1 1 A 23 23 PHE CA C 57 61.300 61.679 -0.379 1
1 200 . 1 1 1 A 23 23 PHE CB C 57 38.730 39.036 -0.306 1
1 206 . 1 1 1 A 23 23 PHE N N 57 127.639 122.947 4.692 1
1 207 . 1 1 1 A 24 24 TYR H H 58 7.922 8.562 -0.640 1
1 208 . 1 1 1 A 24 24 TYR HA H 58 3.990 4.496 -0.506 1
1 215 . 1 1 1 A 24 24 TYR CA C 58 60.610 61.273 -0.663 1
1 216 . 1 1 1 A 24 24 TYR CB C 58 36.540 37.883 -1.343 1
1 221 . 1 1 1 A 24 24 TYR N N 58 112.757 115.367 -2.610 1
1 222 . 1 1 1 A 25 25 THR H H 59 8.081 7.854 0.227 1
1 223 . 1 1 1 A 25 25 THR HA H 59 4.640 4.318 0.322 1
1 229 . 1 1 1 A 25 25 THR CA C 59 62.070 63.426 -1.356 1
1 230 . 1 1 1 A 25 25 THR CB C 59 68.630 69.388 -0.758 1
1 232 . 1 1 1 A 25 25 THR N N 59 112.676 112.153 0.523 1
1 233 . 1 1 1 A 26 26 LEU H H 60 7.373 7.107 0.266 1
1 234 . 1 1 1 A 26 26 LEU HA H 60 4.460 4.306 0.154 1
1 244 . 1 1 1 A 26 26 LEU CA C 60 52.600 54.139 -1.539 1
1 245 . 1 1 1 A 26 26 LEU CB C 60 39.400 41.787 -2.387 1
1 249 . 1 1 1 A 26 26 LEU N N 60 125.808 120.278 5.530 1
1 250 . 1 1 1 A 27 27 SER H H 61 7.860 7.919 -0.059 1
1 251 . 1 1 1 A 27 27 SER HA H 61 3.980 4.105 -0.125 1
1 254 . 1 1 1 A 27 27 SER CA C 61 56.960 58.559 -1.599 1
1 255 . 1 1 1 A 27 27 SER CB C 61 60.640 61.689 -1.049 1
1 256 . 1 1 1 A 27 27 SER N N 61 111.582 112.816 -1.234 1
1 257 . 1 1 1 A 28 28 PRO HA H 62 4.190 4.499 -0.309 1
1 264 . 1 1 1 A 28 28 PRO CA C 62 62.070 62.034 0.036 1
1 265 . 1 1 1 A 28 28 PRO CB C 62 29.970 32.002 -2.032 1
1 268 . 1 1 1 A 29 29 VAL H H 63 8.744 8.840 -0.096 1
1 269 . 1 1 1 A 29 29 VAL HA H 63 4.180 4.456 -0.276 1
1 277 . 1 1 1 A 29 29 VAL CA C 63 60.640 61.075 -0.435 1
1 278 . 1 1 1 A 29 29 VAL CB C 63 33.620 32.906 0.714 1
1 281 . 1 1 1 A 29 29 VAL N N 63 124.299 123.491 0.808 1
1 282 . 1 1 1 A 30 30 ASN H H 64 9.713 9.505 0.208 1
1 283 . 1 1 1 A 30 30 ASN HA H 64 4.410 4.458 -0.048 1
1 288 . 1 1 1 A 30 30 ASN CA C 64 53.320 54.644 -1.324 1
1 289 . 1 1 1 A 30 30 ASN CB C 64 36.540 37.058 -0.518 1
1 290 . 1 1 1 A 30 30 ASN N N 64 129.729 128.150 1.579 1
1 292 . 1 1 1 A 31 31 GLY H H 65 8.862 8.526 0.336 1
1 293 . 1 1 1 A 31 31 GLY HA2 H 65 3.770 3.902 -0.132 1
1 294 . 1 1 1 A 31 31 GLY HA3 H 65 4.250 3.980 0.270 1
1 295 . 1 1 1 A 31 31 GLY CA C 65 44.560 45.618 -1.058 1
1 296 . 1 1 1 A 31 31 GLY N N 65 130.641 104.269 26.372 1
1 297 . 1 1 1 A 32 32 LYS H H 66 7.501 7.719 -0.218 1
1 298 . 1 1 1 A 32 32 LYS HA H 66 5.400 5.562 -0.162 1
1 307 . 1 1 1 A 32 32 LYS CA C 66 54.040 54.372 -0.332 1
1 308 . 1 1 1 A 32 32 LYS CB C 66 36.540 35.940 0.600 1
1 312 . 1 1 1 A 32 32 LYS N N 66 118.738 119.894 -1.156 1
1 313 . 1 1 1 A 33 33 ILE H H 67 9.230 9.326 -0.096 1
1 314 . 1 1 1 A 33 33 ILE HA H 67 5.010 4.862 0.148 1
1 324 . 1 1 1 A 33 33 ILE CA C 67 57.690 58.890 -1.200 1
1 325 . 1 1 1 A 33 33 ILE CB C 67 40.190 41.038 -0.848 1
1 329 . 1 1 1 A 33 33 ILE N N 67 118.166 118.819 -0.653 1
1 330 . 1 1 1 A 34 34 THR H H 68 8.262 8.471 -0.209 1
1 331 . 1 1 1 A 34 34 THR HA H 68 4.530 4.566 -0.036 1
1 337 . 1 1 1 A 34 34 THR CA C 68 59.100 60.907 -1.807 1
1 338 . 1 1 1 A 34 34 THR CB C 68 70.000 70.254 -0.254 1
1 340 . 1 1 1 A 34 34 THR N N 68 111.971 114.142 -2.171 1
1 341 . 1 1 1 A 35 35 GLY H H 69 9.000 8.853 0.147 1
1 342 . 1 1 1 A 35 35 GLY HA2 H 69 3.540 3.909 -0.369 1
1 343 . 1 1 1 A 35 35 GLY HA3 H 69 3.830 4.109 -0.279 1
1 344 . 1 1 1 A 35 35 GLY CA C 69 47.480 46.614 0.866 1
1 345 . 1 1 1 A 35 35 GLY N N 69 110.304 109.999 0.305 1
1 346 . 1 1 1 A 36 36 ALA H H 70 8.336 7.972 0.364 1
1 347 . 1 1 1 A 36 36 ALA HA H 70 3.880 3.984 -0.104 1
1 351 . 1 1 1 A 36 36 ALA CA C 70 54.040 54.561 -0.521 1
1 352 . 1 1 1 A 36 36 ALA CB C 70 17.570 18.604 -1.034 1
1 353 . 1 1 1 A 36 36 ALA N N 70 123.822 123.477 0.345 1
1 354 . 1 1 1 A 37 37 ASN H H 71 7.560 7.503 0.057 1
1 355 . 1 1 1 A 37 37 ASN HA H 71 4.680 4.570 0.110 1
1 360 . 1 1 1 A 37 37 ASN CA C 71 54.040 55.685 -1.645 1
1 361 . 1 1 1 A 37 37 ASN CB C 71 36.500 38.385 -1.885 1
1 362 . 1 1 1 A 37 37 ASN N N 71 118.643 116.755 1.888 1
1 364 . 1 1 1 A 38 38 ALA H H 72 8.810 7.940 0.870 1
1 365 . 1 1 1 A 38 38 ALA HA H 72 4.100 4.276 -0.176 1
1 369 . 1 1 1 A 38 38 ALA CA C 72 54.770 55.629 -0.859 1
1 370 . 1 1 1 A 38 38 ALA CB C 72 18.240 18.899 -0.659 1
1 371 . 1 1 1 A 38 38 ALA N N 72 123.731 122.848 0.883 1
1 372 . 1 1 1 A 39 39 LYS H H 73 8.837 8.311 0.526 1
1 373 . 1 1 1 A 39 39 LYS HA H 73 3.940 3.958 -0.018 1
1 382 . 1 1 1 A 39 39 LYS CA C 73 59.130 59.779 -0.649 1
1 383 . 1 1 1 A 39 39 LYS CB C 73 31.430 32.336 -0.906 1
1 387 . 1 1 1 A 39 39 LYS N N 73 120.046 118.473 1.573 1
1 388 . 1 1 1 A 40 40 LYS H H 74 7.319 7.858 -0.539 1
1 389 . 1 1 1 A 40 40 LYS HA H 74 3.990 3.996 -0.006 1
1 398 . 1 1 1 A 40 40 LYS CA C 74 58.470 59.934 -1.464 1
1 399 . 1 1 1 A 40 40 LYS CB C 74 31.430 32.361 -0.931 1
1 403 . 1 1 1 A 40 40 LYS N N 74 118.778 118.879 -0.101 1
1 404 . 1 1 1 A 41 41 GLU H H 75 7.111 8.211 -1.100 1
1 405 . 1 1 1 A 41 41 GLU HA H 75 4.420 4.129 0.291 1
1 410 . 1 1 1 A 41 41 GLU CA C 75 56.200 59.596 -3.396 1
1 411 . 1 1 1 A 41 41 GLU CB C 75 29.240 29.391 -0.151 1
1 413 . 1 1 1 A 41 41 GLU N N 75 117.703 118.998 -1.295 1
1 414 . 1 1 1 A 42 42 MET H H 76 8.603 8.435 0.168 1
1 415 . 1 1 1 A 42 42 MET HA H 76 4.010 4.172 -0.162 1
1 423 . 1 1 1 A 42 42 MET CA C 76 59.100 58.661 0.439 1
1 424 . 1 1 1 A 42 42 MET CB C 76 33.620 32.679 0.941 1
1 427 . 1 1 1 A 42 42 MET N N 76 121.344 119.189 2.155 1
1 428 . 1 1 1 A 43 43 VAL H H 77 8.661 8.016 0.645 1
1 429 . 1 1 1 A 43 43 VAL HA H 77 4.063 3.914 0.149 1
1 437 . 1 1 1 A 43 43 VAL CA C 77 63.530 65.586 -2.056 1
1 438 . 1 1 1 A 43 43 VAL CB C 77 30.700 31.320 -0.620 1
1 441 . 1 1 1 A 43 43 VAL N N 77 117.339 115.765 1.574 1
1 442 . 1 1 1 A 44 44 LYS H H 78 7.464 7.898 -0.434 1
1 443 . 1 1 1 A 44 44 LYS HA H 78 4.110 4.187 -0.077 1
1 452 . 1 1 1 A 44 44 LYS CA C 78 58.400 59.320 -0.920 1
1 453 . 1 1 1 A 44 44 LYS CB C 78 31.430 32.198 -0.768 1
1 457 . 1 1 1 A 44 44 LYS N N 78 124.308 122.043 2.265 1
1 458 . 1 1 1 A 45 45 SER H H 79 7.534 7.578 -0.044 1
1 459 . 1 1 1 A 45 45 SER HA H 79 4.071 4.539 -0.468 1
1 462 . 1 1 1 A 45 45 SER CA C 79 59.880 58.231 1.649 1
1 463 . 1 1 1 A 45 45 SER CB C 79 65.000 63.339 1.661 1
1 464 . 1 1 1 A 45 45 SER N N 79 114.575 111.349 3.226 1
1 465 . 1 1 1 A 46 46 LYS H H 80 7.822 7.908 -0.086 1
1 466 . 1 1 1 A 46 46 LYS HA H 80 3.930 3.832 0.098 1
1 475 . 1 1 1 A 46 46 LYS CA C 80 57.000 57.321 -0.321 1
1 476 . 1 1 1 A 46 46 LYS CB C 80 28.510 29.104 -0.594 1
1 480 . 1 1 1 A 46 46 LYS N N 80 114.855 117.456 -2.601 1
1 481 . 1 1 1 A 47 47 LEU H H 81 7.505 7.357 0.148 1
1 482 . 1 1 1 A 47 47 LEU HA H 81 4.470 4.467 0.003 1
1 492 . 1 1 1 A 47 47 LEU CA C 81 52.600 52.406 0.194 1
1 493 . 1 1 1 A 47 47 LEU CB C 81 40.920 41.903 -0.983 1
1 497 . 1 1 1 A 47 47 LEU N N 81 122.848 119.984 2.864 1
1 498 . 1 1 1 A 48 48 PRO HA H 82 4.510 4.521 -0.011 1
1 505 . 1 1 1 A 48 48 PRO CA C 82 61.340 62.873 -1.533 1
1 506 . 1 1 1 A 48 48 PRO CB C 82 32.100 32.764 -0.664 1
1 509 . 1 1 1 A 49 49 ASN H H 83 7.580 8.650 -1.070 1
1 510 . 1 1 1 A 49 49 ASN HA H 83 4.240 4.394 -0.154 1
1 515 . 1 1 1 A 49 49 ASN CA C 83 56.200 56.273 -0.073 1
1 516 . 1 1 1 A 49 49 ASN CB C 83 37.270 38.223 -0.953 1
1 518 . 1 1 1 A 50 50 THR H H 84 7.010 8.092 -1.082 1
1 519 . 1 1 1 A 50 50 THR HA H 84 4.030 4.020 0.010 1
1 524 . 1 1 1 A 50 50 THR CA C 84 63.500 65.674 -2.174 1
1 525 . 1 1 1 A 50 50 THR CB C 84 67.170 68.196 -1.026 1
1 527 . 1 1 1 A 51 51 VAL H H 85 6.887 7.944 -1.057 1
1 528 . 1 1 1 A 51 51 VAL HA H 85 3.650 3.650 0.000 1
1 536 . 1 1 1 A 51 51 VAL CA C 85 64.200 66.714 -2.514 1
1 537 . 1 1 1 A 51 51 VAL CB C 85 30.700 31.417 -0.717 1
1 540 . 1 1 1 A 51 51 VAL N N 85 125.031 122.915 2.116 1
1 541 . 1 1 1 A 52 52 LEU H H 86 8.043 8.475 -0.432 1
1 542 . 1 1 1 A 52 52 LEU HA H 86 3.730 4.050 -0.320 1
1 552 . 1 1 1 A 52 52 LEU CA C 86 56.960 58.517 -1.557 1
1 553 . 1 1 1 A 52 52 LEU CB C 86 39.430 41.834 -2.404 1
1 557 . 1 1 1 A 52 52 LEU N N 86 121.307 120.703 0.604 1
1 558 . 1 1 1 A 53 53 GLY H H 87 8.420 8.056 0.364 1
1 559 . 1 1 1 A 53 53 GLY HA2 H 87 3.890 3.678 0.212 1
1 560 . 1 1 1 A 53 53 GLY HA3 H 87 3.980 3.710 0.270 1
1 561 . 1 1 1 A 53 53 GLY CA C 87 46.020 47.320 -1.300 1
1 562 . 1 1 1 A 53 53 GLY N N 87 108.274 105.635 2.639 1
1 563 . 1 1 1 A 54 54 LYS H H 88 7.327 7.979 -0.652 1
1 564 . 1 1 1 A 54 54 LYS HA H 88 4.130 4.015 0.115 1
1 573 . 1 1 1 A 54 54 LYS CA C 88 58.420 59.437 -1.017 1
1 574 . 1 1 1 A 54 54 LYS CB C 88 31.430 32.390 -0.960 1
1 578 . 1 1 1 A 54 54 LYS N N 88 125.389 121.846 3.543 1
1 579 . 1 1 1 A 55 55 ILE H H 89 8.075 8.319 -0.244 1
1 580 . 1 1 1 A 55 55 ILE HA H 89 3.470 3.610 -0.140 1
1 590 . 1 1 1 A 55 55 ILE CA C 89 65.720 65.559 0.161 1
1 591 . 1 1 1 A 55 55 ILE CB C 89 36.540 37.803 -1.263 1
1 595 . 1 1 1 A 55 55 ILE N N 89 122.261 120.100 2.161 1
1 596 . 1 1 1 A 56 56 TRP H H 90 8.706 8.368 0.338 1
1 597 . 1 1 1 A 56 56 TRP HA H 90 3.810 4.191 -0.381 1
1 606 . 1 1 1 A 56 56 TRP CA C 90 60.610 60.451 0.159 1
1 607 . 1 1 1 A 56 56 TRP CB C 90 27.790 29.831 -2.041 1
1 613 . 1 1 1 A 56 56 TRP N N 90 121.947 121.600 0.347 1
1 615 . 1 1 1 A 57 57 LYS H H 91 7.581 8.404 -0.823 1
1 616 . 1 1 1 A 57 57 LYS HA H 91 3.960 4.192 -0.232 1
1 625 . 1 1 1 A 57 57 LYS CA C 91 58.420 59.638 -1.218 1
1 626 . 1 1 1 A 57 57 LYS CB C 91 31.430 32.280 -0.850 1
1 630 . 1 1 1 A 57 57 LYS N N 91 116.801 118.966 -2.165 1
1 631 . 1 1 1 A 58 58 LEU H H 92 7.571 7.690 -0.119 1
1 632 . 1 1 1 A 58 58 LEU HA H 92 3.990 4.184 -0.194 1
1 642 . 1 1 1 A 58 58 LEU CA C 92 56.200 56.764 -0.564 1
1 643 . 1 1 1 A 58 58 LEU CB C 92 43.100 41.765 1.335 1
1 647 . 1 1 1 A 58 58 LEU N N 92 119.520 119.235 0.285 1
1 648 . 1 1 1 A 59 59 ALA H H 93 8.135 7.668 0.467 1
1 649 . 1 1 1 A 59 59 ALA HA H 93 4.120 4.210 -0.090 1
1 653 . 1 1 1 A 59 59 ALA CA C 93 52.590 54.636 -2.046 1
1 654 . 1 1 1 A 59 59 ALA CB C 93 18.300 18.743 -0.443 1
1 655 . 1 1 1 A 59 59 ALA N N 93 120.126 119.974 0.152 1
1 656 . 1 1 1 A 60 60 ASP H H 94 7.530 7.796 -0.266 1
1 657 . 1 1 1 A 60 60 ASP HA H 94 4.540 4.589 -0.049 1
1 660 . 1 1 1 A 60 60 ASP CA C 94 51.100 52.708 -1.608 1
1 661 . 1 1 1 A 60 60 ASP CB C 94 35.840 40.284 -4.444 1
1 662 . 1 1 1 A 60 60 ASP N N 94 115.380 117.643 -2.263 1
1 663 . 1 1 1 A 61 61 VAL H H 95 8.340 8.313 0.027 1
1 664 . 1 1 1 A 61 61 VAL HA H 95 3.500 3.680 -0.180 1
1 672 . 1 1 1 A 61 61 VAL CA C 95 65.000 66.048 -1.048 1
1 673 . 1 1 1 A 61 61 VAL CB C 95 31.430 31.844 -0.414 1
1 676 . 1 1 1 A 61 61 VAL N N 95 129.560 124.528 5.032 1
1 677 . 1 1 1 A 62 62 ASP H H 96 7.927 8.023 -0.096 1
1 678 . 1 1 1 A 62 62 ASP HA H 96 4.530 4.583 -0.053 1
1 681 . 1 1 1 A 62 62 ASP CA C 96 51.800 53.963 -2.163 1
1 682 . 1 1 1 A 62 62 ASP CB C 96 38.700 41.391 -2.691 1
1 683 . 1 1 1 A 62 62 ASP N N 96 115.789 116.704 -0.915 1
1 684 . 1 1 1 A 63 63 LYS H H 97 7.551 7.746 -0.195 1
1 685 . 1 1 1 A 63 63 LYS HA H 97 3.860 4.052 -0.192 1
1 694 . 1 1 1 A 63 63 LYS CA C 97 56.960 57.364 -0.404 1
1 695 . 1 1 1 A 63 63 LYS CB C 97 28.520 29.421 -0.901 1
1 699 . 1 1 1 A 63 63 LYS N N 97 115.740 115.285 0.455 1
1 700 . 1 1 1 A 64 64 ASP H H 98 8.363 8.410 -0.047 1
1 701 . 1 1 1 A 64 64 ASP HA H 98 4.660 4.671 -0.011 1
1 704 . 1 1 1 A 64 64 ASP CA C 98 52.600 53.186 -0.586 1
1 705 . 1 1 1 A 64 64 ASP CB C 98 40.190 40.286 -0.096 1
1 706 . 1 1 1 A 64 64 ASP N N 98 120.463 118.501 1.962 1
1 707 . 1 1 1 A 65 65 GLY H H 99 10.641 8.749 1.892 1
1 708 . 1 1 1 A 65 65 GLY HA2 H 99 3.850 4.089 -0.239 1
1 709 . 1 1 1 A 65 65 GLY HA3 H 99 4.322 4.311 0.011 1
1 710 . 1 1 1 A 65 65 GLY CA C 99 44.800 45.872 -1.072 1
1 711 . 1 1 1 A 65 65 GLY N N 99 115.730 110.898 4.832 1
1 712 . 1 1 1 A 66 66 LEU H H 100 8.157 8.102 0.055 1
1 713 . 1 1 1 A 66 66 LEU HA H 100 5.120 4.981 0.139 1
1 723 . 1 1 1 A 66 66 LEU CA C 100 52.600 53.469 -0.869 1
1 724 . 1 1 1 A 66 66 LEU CB C 100 44.600 44.063 0.537 1
1 728 . 1 1 1 A 66 66 LEU N N 100 123.435 123.282 0.153 1
1 729 . 1 1 1 A 67 67 LEU H H 101 8.687 8.967 -0.280 1
1 730 . 1 1 1 A 67 67 LEU HA H 101 5.800 5.141 0.659 1
1 740 . 1 1 1 A 67 67 LEU CA C 101 51.860 53.595 -1.735 1
1 741 . 1 1 1 A 67 67 LEU CB C 101 42.370 43.120 -0.750 1
1 745 . 1 1 1 A 67 67 LEU N N 101 121.109 123.023 -1.914 1
1 746 . 1 1 1 A 68 68 ASP H H 102 9.229 9.191 0.038 1
1 747 . 1 1 1 A 68 68 ASP HA H 102 5.610 5.108 0.502 1
1 750 . 1 1 1 A 68 68 ASP CA C 102 51.130 54.217 -3.087 1
1 751 . 1 1 1 A 68 68 ASP CB C 102 40.190 41.996 -1.806 1
1 752 . 1 1 1 A 68 68 ASP N N 102 124.386 124.594 -0.208 1
1 753 . 1 1 1 A 69 69 ASP H H 103 8.529 8.621 -0.092 1
1 754 . 1 1 1 A 69 69 ASP HA H 103 2.830 2.946 -0.116 1
1 757 . 1 1 1 A 69 69 ASP CA C 103 56.230 56.444 -0.214 1
1 758 . 1 1 1 A 69 69 ASP CB C 103 37.238 39.401 -2.163 1
1 759 . 1 1 1 A 69 69 ASP N N 103 117.423 121.150 -3.727 1
1 760 . 1 1 1 A 70 70 GLU H H 104 7.991 8.111 -0.120 1
1 761 . 1 1 1 A 70 70 GLU HA H 104 4.061 4.283 -0.222 1
1 766 . 1 1 1 A 70 70 GLU CA C 104 59.130 59.585 -0.455 1
1 767 . 1 1 1 A 70 70 GLU CB C 104 29.134 29.401 -0.267 1
1 769 . 1 1 1 A 70 70 GLU N N 104 124.895 120.300 4.595 1
1 770 . 1 1 1 A 71 71 GLU H H 105 8.742 8.196 0.546 1
1 771 . 1 1 1 A 71 71 GLU HA H 105 4.000 4.131 -0.131 1
1 776 . 1 1 1 A 71 71 GLU CA C 105 59.150 59.265 -0.115 1
1 777 . 1 1 1 A 71 71 GLU CB C 105 30.700 29.408 1.292 1
1 779 . 1 1 1 A 71 71 GLU N N 105 123.465 120.225 3.240 1
1 780 . 1 1 1 A 72 72 PHE H H 106 9.426 8.822 0.604 1
1 781 . 1 1 1 A 72 72 PHE HA H 106 4.230 4.212 0.018 1
1 789 . 1 1 1 A 72 72 PHE CA C 106 59.900 61.693 -1.793 1
1 790 . 1 1 1 A 72 72 PHE CB C 106 38.730 39.285 -0.555 1
1 796 . 1 1 1 A 72 72 PHE N N 106 120.806 121.709 -0.903 1
1 797 . 1 1 1 A 73 73 ALA H H 107 8.085 8.109 -0.024 1
1 798 . 1 1 1 A 73 73 ALA HA H 107 3.770 3.955 -0.185 1
1 802 . 1 1 1 A 73 73 ALA CA C 107 54.040 55.203 -1.163 1
1 803 . 1 1 1 A 73 73 ALA CB C 107 16.870 18.099 -1.229 1
1 804 . 1 1 1 A 73 73 ALA N N 107 126.845 121.260 5.585 1
1 805 . 1 1 1 A 74 74 LEU H H 108 8.431 7.824 0.607 1
1 806 . 1 1 1 A 74 74 LEU HA H 108 4.050 3.904 0.146 1
1 816 . 1 1 1 A 74 74 LEU CA C 108 56.960 57.672 -0.712 1
1 817 . 1 1 1 A 74 74 LEU CB C 108 41.600 41.715 -0.115 1
1 821 . 1 1 1 A 74 74 LEU N N 108 121.250 120.378 0.872 1
1 822 . 1 1 1 A 75 75 ALA H H 109 8.651 8.432 0.219 1
1 823 . 1 1 1 A 75 75 ALA HA H 109 3.657 3.926 -0.269 1
1 827 . 1 1 1 A 75 75 ALA CA C 109 54.770 55.574 -0.804 1
1 828 . 1 1 1 A 75 75 ALA CB C 109 16.110 18.198 -2.088 1
1 829 . 1 1 1 A 75 75 ALA N N 109 122.981 120.991 1.990 1
1 830 . 1 1 1 A 76 76 ASN H H 110 7.240 8.055 -0.815 1
1 831 . 1 1 1 A 76 76 ASN HA H 110 3.790 4.010 -0.220 1
1 836 . 1 1 1 A 76 76 ASN CA C 110 55.540 56.024 -0.484 1
1 837 . 1 1 1 A 76 76 ASN CB C 110 37.200 37.773 -0.573 1
1 838 . 1 1 1 A 76 76 ASN N N 110 115.681 116.245 -0.564 1
1 840 . 1 1 1 A 77 77 HIS H H 111 8.345 7.536 0.809 1
1 841 . 1 1 1 A 77 77 HIS HA H 111 4.094 3.928 0.166 1
1 846 . 1 1 1 A 77 77 HIS CA C 111 59.150 59.751 -0.601 1
1 847 . 1 1 1 A 77 77 HIS CB C 111 30.700 29.886 0.814 1
1 850 . 1 1 1 A 77 77 HIS N N 111 124.686 119.317 5.369 1
1 851 . 1 1 1 A 78 78 LEU H H 112 8.290 8.444 -0.154 1
1 852 . 1 1 1 A 78 78 LEU HA H 112 3.810 3.676 0.134 1
1 862 . 1 1 1 A 78 78 LEU CA C 112 56.200 58.038 -1.838 1
1 863 . 1 1 1 A 78 78 LEU CB C 112 41.600 41.438 0.162 1
1 867 . 1 1 1 A 78 78 LEU N N 112 119.085 118.971 0.114 1
1 868 . 1 1 1 A 79 79 ILE H H 113 7.792 8.127 -0.335 1
1 869 . 1 1 1 A 79 79 ILE HA H 113 3.290 3.450 -0.160 1
1 879 . 1 1 1 A 79 79 ILE CA C 113 65.000 65.604 -0.604 1
1 880 . 1 1 1 A 79 79 ILE CB C 113 37.200 38.105 -0.905 1
1 884 . 1 1 1 A 79 79 ILE N N 113 121.304 119.472 1.832 1
1 885 . 1 1 1 A 80 80 LYS H H 114 7.546 7.711 -0.165 1
1 886 . 1 1 1 A 80 80 LYS HA H 114 3.820 3.940 -0.120 1
1 895 . 1 1 1 A 80 80 LYS CA C 114 59.100 59.202 -0.102 1
1 896 . 1 1 1 A 80 80 LYS CB C 114 30.700 32.168 -1.468 1
1 900 . 1 1 1 A 80 80 LYS N N 114 122.150 119.168 2.982 1
1 901 . 1 1 1 A 81 81 VAL H H 115 8.110 7.960 0.150 1
1 902 . 1 1 1 A 81 81 VAL HA H 115 3.740 3.192 0.548 1
1 910 . 1 1 1 A 81 81 VAL CA C 115 64.900 66.654 -1.754 1
1 911 . 1 1 1 A 81 81 VAL CB C 115 30.720 31.000 -0.280 1
1 914 . 1 1 1 A 81 81 VAL N N 115 118.999 120.034 -1.035 1
1 915 . 1 1 1 A 82 82 LYS H H 116 7.853 7.722 0.131 1
1 916 . 1 1 1 A 82 82 LYS HA H 116 4.540 4.158 0.382 1
1 925 . 1 1 1 A 82 82 LYS CA C 116 56.230 59.785 -3.555 1
1 926 . 1 1 1 A 82 82 LYS CB C 116 30.700 32.289 -1.589 1
1 930 . 1 1 1 A 82 82 LYS N N 116 123.030 119.027 4.003 1
1 931 . 1 1 1 A 83 83 LEU H H 117 8.959 8.158 0.801 1
1 932 . 1 1 1 A 83 83 LEU HA H 117 4.080 4.019 0.061 1
1 942 . 1 1 1 A 83 83 LEU CA C 117 56.900 57.546 -0.646 1
1 943 . 1 1 1 A 83 83 LEU CB C 117 40.920 40.813 0.107 1
1 947 . 1 1 1 A 83 83 LEU N N 117 125.378 120.027 5.351 1
1 948 . 1 1 1 A 84 84 GLU H H 118 7.817 7.916 -0.099 1
1 949 . 1 1 1 A 84 84 GLU HA H 118 4.150 4.232 -0.082 1
1 954 . 1 1 1 A 84 84 GLU CA C 118 56.200 56.630 -0.430 1
1 955 . 1 1 1 A 84 84 GLU CB C 118 29.200 29.796 -0.596 1
1 957 . 1 1 1 A 84 84 GLU N N 118 119.766 116.885 2.881 1
1 958 . 1 1 1 A 85 85 GLY H H 119 7.862 7.877 -0.015 1
1 959 . 1 1 1 A 85 85 GLY HA2 H 119 3.640 4.008 -0.368 1
1 960 . 1 1 1 A 85 85 GLY HA3 H 119 4.140 4.015 0.125 1
1 961 . 1 1 1 A 85 85 GLY CA C 119 43.800 45.170 -1.370 1
1 962 . 1 1 1 A 85 85 GLY N N 119 107.902 107.585 0.317 1
1 963 . 1 1 1 A 86 86 HIS H H 120 7.714 7.909 -0.195 1
1 964 . 1 1 1 A 86 86 HIS HA H 120 4.680 4.604 0.076 1
1 969 . 1 1 1 A 86 86 HIS CA C 120 54.000 56.110 -2.110 1
1 970 . 1 1 1 A 86 86 HIS CB C 120 30.000 30.880 -0.880 1
1 972 . 1 1 1 A 86 86 HIS N N 120 122.124 118.723 3.401 1
1 973 . 1 1 1 A 87 87 GLU H H 121 8.491 8.731 -0.240 1
1 974 . 1 1 1 A 87 87 GLU HA H 121 4.300 4.979 -0.679 1
1 979 . 1 1 1 A 87 87 GLU CA C 121 54.040 54.987 -0.947 1
1 980 . 1 1 1 A 87 87 GLU CB C 121 29.240 32.983 -3.743 1
1 982 . 1 1 1 A 87 87 GLU N N 121 121.826 120.311 1.515 1
1 983 . 1 1 1 A 88 88 LEU H H 122 8.672 8.759 -0.087 1
1 984 . 1 1 1 A 88 88 LEU HA H 122 4.410 5.014 -0.604 1
1 994 . 1 1 1 A 88 88 LEU CA C 122 51.130 51.230 -0.100 1
1 995 . 1 1 1 A 88 88 LEU CB C 122 40.200 43.641 -3.441 1
1 999 . 1 1 1 A 88 88 LEU N N 122 125.316 119.695 5.621 1
1 1000 . 1 1 1 A 89 89 PRO HA H 123 4.560 4.401 0.159 1
1 1007 . 1 1 1 A 89 89 PRO CA C 123 61.340 63.902 -2.562 1
1 1008 . 1 1 1 A 89 89 PRO CB C 123 30.700 31.927 -1.227 1
1 1011 . 1 1 1 A 90 90 ALA H H 124 8.464 7.985 0.479 1
1 1012 . 1 1 1 A 90 90 ALA HA H 124 4.063 3.993 0.070 1
1 1016 . 1 1 1 A 90 90 ALA CA C 124 53.320 53.614 -0.294 1
1 1017 . 1 1 1 A 90 90 ALA CB C 124 18.300 17.910 0.390 1
1 1018 . 1 1 1 A 90 90 ALA N N 124 123.603 120.686 2.917 1
1 1019 . 1 1 1 A 91 91 ASP H H 125 7.482 7.836 -0.354 1
1 1020 . 1 1 1 A 91 91 ASP HA H 125 4.640 5.242 -0.602 1
1 1023 . 1 1 1 A 91 91 ASP CA C 125 50.430 52.727 -2.297 1
1 1024 . 1 1 1 A 91 91 ASP CB C 125 43.100 44.674 -1.574 1
1 1025 . 1 1 1 A 91 91 ASP N N 125 115.317 116.418 -1.101 1
1 1026 . 1 1 1 A 92 92 LEU H H 126 8.883 9.072 -0.189 1
1 1027 . 1 1 1 A 92 92 LEU HA H 126 4.189 4.967 -0.778 1
1 1037 . 1 1 1 A 92 92 LEU CA C 126 52.500 51.148 1.352 1
1 1038 . 1 1 1 A 92 92 LEU CB C 126 41.600 44.006 -2.406 1
1 1042 . 1 1 1 A 92 92 LEU N N 126 125.329 125.902 -0.573 1
1 1043 . 1 1 1 A 93 93 PRO HA H 127 4.860 4.697 0.163 1
1 1050 . 1 1 1 A 93 93 PRO CA C 127 59.800 61.543 -1.743 1
1 1051 . 1 1 1 A 93 93 PRO CB C 127 29.970 31.947 -1.977 1
1 1054 . 1 1 1 A 94 94 PRO HA H 128 4.210 4.181 0.029 1
1 1061 . 1 1 1 A 94 94 PRO CA C 128 65.000 65.050 -0.050 1
1 1062 . 1 1 1 A 94 94 PRO CB C 128 31.430 31.877 -0.447 1
1 1065 . 1 1 1 A 95 95 HIS H H 129 7.922 8.175 -0.253 1
1 1066 . 1 1 1 A 95 95 HIS HA H 129 4.640 4.559 0.081 1
1 1071 . 1 1 1 A 95 95 HIS CA C 129 56.900 56.179 0.721 1
1 1072 . 1 1 1 A 95 95 HIS CB C 129 28.550 29.919 -1.369 1
1 1075 . 1 1 1 A 95 95 HIS N N 129 112.757 114.990 -2.233 1
1 1076 . 1 1 1 A 96 96 LEU H H 130 7.717 7.792 -0.075 1
1 1077 . 1 1 1 A 96 96 LEU HA H 130 4.640 4.497 0.143 1
1 1087 . 1 1 1 A 96 96 LEU CA C 130 53.300 54.526 -1.226 1
1 1088 . 1 1 1 A 96 96 LEU CB C 130 42.370 42.626 -0.256 1
1 1092 . 1 1 1 A 96 96 LEU N N 130 121.128 119.462 1.666 1
1 1093 . 1 1 1 A 97 97 VAL H H 131 7.184 7.257 -0.073 1
1 1094 . 1 1 1 A 97 97 VAL HA H 131 3.730 4.077 -0.347 1
1 1102 . 1 1 1 A 97 97 VAL CA C 131 60.640 60.613 0.027 1
1 1103 . 1 1 1 A 97 97 VAL CB C 131 31.420 32.132 -0.712 1
1 1106 . 1 1 1 A 97 97 VAL N N 131 125.572 121.077 4.495 1
1 1107 . 1 1 1 A 98 98 PRO HA H 132 2.680 3.275 -0.595 1
1 1114 . 1 1 1 A 98 98 PRO CA C 132 59.880 61.483 -1.603 1
1 1115 . 1 1 1 A 98 98 PRO CB C 132 30.700 31.878 -1.178 1
1 1118 . 1 1 1 A 99 99 PRO HA H 133 3.600 4.054 -0.454 1
1 1125 . 1 1 1 A 99 99 PRO CA C 133 64.990 65.217 -0.227 1
1 1126 . 1 1 1 A 99 99 PRO CB C 133 31.400 31.712 -0.312 1
1 1129 . 1 1 1 A 100 100 SER H H 134 9.200 8.212 0.988 1
1 1130 . 1 1 1 A 100 100 SER HA H 134 4.150 4.460 -0.310 1
1 1133 . 1 1 1 A 100 100 SER CA C 134 59.880 59.027 0.853 1
1 1134 . 1 1 1 A 100 100 SER CB C 134 61.340 63.270 -1.930 1
1 1135 . 1 1 1 A 100 100 SER N N 134 115.005 112.511 2.494 1
1 1136 . 1 1 1 A 101 101 LYS H H 135 7.867 7.981 -0.114 1
1 1137 . 1 1 1 A 101 101 LYS HA H 135 4.447 4.496 -0.049 1
1 1146 . 1 1 1 A 101 101 LYS CA C 135 52.600 55.549 -2.949 1
1 1147 . 1 1 1 A 101 101 LYS CB C 135 30.700 33.671 -2.971 1
1 1151 . 1 1 1 A 101 101 LYS N N 135 121.053 118.427 2.626 1
1 1152 . 1 1 1 A 102 102 ARG H H 136 7.077 7.508 -0.431 1
1 1153 . 1 1 1 A 102 102 ARG HA H 136 4.100 4.904 -0.804 1
1 1164 . 1 1 1 A 102 102 ARG CA C 136 55.500 55.248 0.252 1
1 1165 . 1 1 1 A 102 102 ARG CB C 136 30.000 32.558 -2.558 1
1 1168 . 1 1 1 A 102 102 ARG N N 136 121.939 116.903 5.036 1
1 1169 . 1 1 1 A 103 103 ARG H H 137 8.289 8.473 -0.184 1
1 1170 . 1 1 1 A 103 103 ARG HA H 137 4.290 5.086 -0.796 1
1 1181 . 1 1 1 A 103 103 ARG CA C 137 54.770 54.307 0.463 1
1 1182 . 1 1 1 A 103 103 ARG CB C 137 30.000 33.941 -3.941 1
1 1185 . 1 1 1 A 103 103 ARG N N 137 123.504 120.595 2.909 1
1 1186 . 1 1 1 A 104 104 HIS H H 138 8.370 8.908 -0.538 1
1 1187 . 1 1 1 A 104 104 HIS HA H 138 4.660 5.172 -0.512 1
1 1192 . 1 1 1 A 104 104 HIS CA C 138 54.040 54.349 -0.309 1
1 1193 . 1 1 1 A 104 104 HIS CB C 138 29.240 32.961 -3.721 1
1 1 . 2 1 1 A 7 7 ASP H H 41 8.479 8.767 -0.288 1
1 2 . 2 1 1 A 7 7 ASP HA H 41 4.595 4.856 -0.261 1
1 5 . 2 1 1 A 7 7 ASP CA C 41 52.900 53.783 -0.883 1
1 6 . 2 1 1 A 7 7 ASP CB C 41 39.760 40.366 -0.606 1
1 7 . 2 1 1 A 7 7 ASP N N 41 124.447 124.722 -0.275 1
1 8 . 2 1 1 A 8 8 VAL H H 42 7.916 7.933 -0.017 1
1 9 . 2 1 1 A 8 8 VAL HA H 42 4.140 4.192 -0.052 1
1 17 . 2 1 1 A 8 8 VAL CA C 42 60.610 62.497 -1.887 1
1 18 . 2 1 1 A 8 8 VAL CB C 42 32.160 32.245 -0.085 1
1 21 . 2 1 1 A 8 8 VAL N N 42 120.853 124.808 -3.955 1
1 22 . 2 1 1 A 9 9 GLU H H 43 8.476 8.502 -0.026 1
1 23 . 2 1 1 A 9 9 GLU HA H 43 4.290 4.399 -0.109 1
1 28 . 2 1 1 A 9 9 GLU CA C 43 55.500 57.093 -1.593 1
1 29 . 2 1 1 A 9 9 GLU CB C 43 29.400 29.977 -0.577 1
1 31 . 2 1 1 A 9 9 GLU N N 43 127.650 127.015 0.635 1
1 32 . 2 1 1 A 10 10 TRP H H 44 8.839 8.747 0.092 1
1 33 . 2 1 1 A 10 10 TRP HA H 44 5.220 4.824 0.396 1
1 42 . 2 1 1 A 10 10 TRP CA C 44 54.040 56.925 -2.885 1
1 43 . 2 1 1 A 10 10 TRP CB C 44 27.800 30.139 -2.339 1
1 49 . 2 1 1 A 10 10 TRP N N 44 126.378 124.860 1.518 1
1 50 . 2 1 1 A 11 11 VAL H H 45 9.230 8.896 0.334 1
1 51 . 2 1 1 A 11 11 VAL HA H 45 3.891 3.849 0.042 1
1 59 . 2 1 1 A 11 11 VAL CA C 45 63.530 63.968 -0.438 1
1 60 . 2 1 1 A 11 11 VAL CB C 45 30.700 31.586 -0.886 1
1 63 . 2 1 1 A 11 11 VAL N N 45 131.353 127.134 4.219 1
1 64 . 2 1 1 A 12 12 VAL H H 46 5.000 6.896 -1.896 1
1 65 . 2 1 1 A 12 12 VAL HA H 46 3.033 3.183 -0.150 1
1 73 . 2 1 1 A 12 12 VAL CA C 46 60.650 64.906 -4.256 1
1 74 . 2 1 1 A 12 12 VAL CB C 46 29.280 30.710 -1.430 1
1 77 . 2 1 1 A 13 13 GLY H H 47 7.330 8.105 -0.775 1
1 78 . 2 1 1 A 13 13 GLY HA2 H 47 3.580 3.757 -0.177 1
1 79 . 2 1 1 A 13 13 GLY HA3 H 47 4.180 3.864 0.316 1
1 80 . 2 1 1 A 13 13 GLY CA C 47 46.760 46.658 0.102 1
1 81 . 2 1 1 A 14 14 LYS H H 48 7.570 8.701 -1.131 1
1 82 . 2 1 1 A 14 14 LYS HA H 48 4.065 4.073 -0.008 1
1 91 . 2 1 1 A 14 14 LYS CA C 48 57.700 58.768 -1.068 1
1 92 . 2 1 1 A 14 14 LYS CB C 48 30.700 31.555 -0.855 1
1 96 . 2 1 1 A 14 14 LYS N N 48 121.084 118.127 2.957 1
1 97 . 2 1 1 A 15 15 ASP H H 49 7.309 7.319 -0.010 1
1 98 . 2 1 1 A 15 15 ASP HA H 49 4.778 4.805 -0.027 1
1 101 . 2 1 1 A 15 15 ASP CA C 49 52.880 53.425 -0.545 1
1 102 . 2 1 1 A 15 15 ASP CB C 49 42.300 41.530 0.770 1
1 103 . 2 1 1 A 15 15 ASP N N 49 118.181 119.175 -0.994 1
1 104 . 2 1 1 A 16 16 LYS H H 50 7.506 7.989 -0.483 1
1 105 . 2 1 1 A 16 16 LYS HA H 50 4.061 3.984 0.077 1
1 114 . 2 1 1 A 16 16 LYS CA C 50 60.610 61.361 -0.751 1
1 115 . 2 1 1 A 16 16 LYS CB C 50 30.700 30.126 0.574 1
1 119 . 2 1 1 A 16 16 LYS N N 50 123.633 120.093 3.540 1
1 120 . 2 1 1 A 17 17 PRO HA H 51 4.430 4.258 0.172 1
1 127 . 2 1 1 A 17 17 PRO CA C 51 65.720 66.356 -0.636 1
1 128 . 2 1 1 A 17 17 PRO CB C 51 29.970 30.601 -0.631 1
1 131 . 2 1 1 A 18 18 THR H H 52 7.280 7.499 -0.219 1
1 132 . 2 1 1 A 18 18 THR HA H 52 3.970 4.040 -0.070 1
1 137 . 2 1 1 A 18 18 THR CA C 52 64.990 65.210 -0.220 1
1 138 . 2 1 1 A 18 18 THR CB C 52 67.170 68.186 -1.016 1
1 140 . 2 1 1 A 18 18 THR N N 52 115.095 110.240 4.855 1
1 141 . 2 1 1 A 19 19 TYR H H 53 7.083 7.532 -0.449 1
1 142 . 2 1 1 A 19 19 TYR HA H 53 4.716 4.301 0.415 1
1 149 . 2 1 1 A 19 19 TYR CA C 53 57.400 61.914 -4.514 1
1 150 . 2 1 1 A 19 19 TYR CB C 53 35.800 37.115 -1.315 1
1 155 . 2 1 1 A 19 19 TYR N N 53 125.380 119.679 5.701 1
1 156 . 2 1 1 A 20 20 ASP H H 54 9.596 8.483 1.113 1
1 157 . 2 1 1 A 20 20 ASP HA H 54 4.492 4.020 0.472 1
1 160 . 2 1 1 A 20 20 ASP CA C 54 56.200 57.193 -0.993 1
1 161 . 2 1 1 A 20 20 ASP CB C 54 38.730 40.216 -1.486 1
1 162 . 2 1 1 A 20 20 ASP N N 54 124.548 120.983 3.565 1
1 163 . 2 1 1 A 21 21 GLU H H 55 7.309 8.014 -0.705 1
1 164 . 2 1 1 A 21 21 GLU HA H 55 4.140 4.170 -0.030 1
1 169 . 2 1 1 A 21 21 GLU CA C 55 58.420 59.267 -0.847 1
1 170 . 2 1 1 A 21 21 GLU CB C 55 29.250 29.616 -0.366 1
1 172 . 2 1 1 A 21 21 GLU N N 55 118.181 119.730 -1.549 1
1 173 . 2 1 1 A 22 22 ILE H H 56 7.249 7.733 -0.484 1
1 174 . 2 1 1 A 22 22 ILE HA H 56 3.940 4.137 -0.197 1
1 184 . 2 1 1 A 22 22 ILE CA C 56 62.870 64.474 -1.604 1
1 185 . 2 1 1 A 22 22 ILE CB C 56 38.000 37.159 0.841 1
1 189 . 2 1 1 A 22 22 ILE N N 56 118.978 120.468 -1.490 1
1 190 . 2 1 1 A 23 23 PHE H H 57 9.117 8.477 0.640 1
1 191 . 2 1 1 A 23 23 PHE HA H 57 3.090 4.001 -0.911 1
1 199 . 2 1 1 A 23 23 PHE CA C 57 61.300 61.602 -0.302 1
1 200 . 2 1 1 A 23 23 PHE CB C 57 38.730 38.881 -0.151 1
1 206 . 2 1 1 A 23 23 PHE N N 57 127.639 122.013 5.626 1
1 207 . 2 1 1 A 24 24 TYR H H 58 7.922 8.239 -0.317 1
1 208 . 2 1 1 A 24 24 TYR HA H 58 3.990 4.454 -0.464 1
1 215 . 2 1 1 A 24 24 TYR CA C 58 60.610 61.236 -0.626 1
1 216 . 2 1 1 A 24 24 TYR CB C 58 36.540 37.975 -1.435 1
1 221 . 2 1 1 A 24 24 TYR N N 58 112.757 115.334 -2.577 1
1 222 . 2 1 1 A 25 25 THR H H 59 8.081 7.430 0.651 1
1 223 . 2 1 1 A 25 25 THR HA H 59 4.640 4.327 0.313 1
1 229 . 2 1 1 A 25 25 THR CA C 59 62.070 63.587 -1.517 1
1 230 . 2 1 1 A 25 25 THR CB C 59 68.630 69.350 -0.720 1
1 232 . 2 1 1 A 25 25 THR N N 59 112.676 112.643 0.033 1
1 233 . 2 1 1 A 26 26 LEU H H 60 7.373 7.152 0.221 1
1 234 . 2 1 1 A 26 26 LEU HA H 60 4.460 4.305 0.155 1
1 244 . 2 1 1 A 26 26 LEU CA C 60 52.600 54.232 -1.632 1
1 245 . 2 1 1 A 26 26 LEU CB C 60 39.400 41.689 -2.289 1
1 249 . 2 1 1 A 26 26 LEU N N 60 125.808 120.356 5.452 1
1 250 . 2 1 1 A 27 27 SER H H 61 7.860 7.960 -0.100 1
1 251 . 2 1 1 A 27 27 SER HA H 61 3.980 4.198 -0.218 1
1 254 . 2 1 1 A 27 27 SER CA C 61 56.960 58.522 -1.562 1
1 255 . 2 1 1 A 27 27 SER CB C 61 60.640 61.818 -1.178 1
1 256 . 2 1 1 A 27 27 SER N N 61 111.582 113.213 -1.631 1
1 257 . 2 1 1 A 28 28 PRO HA H 62 4.190 4.495 -0.305 1
1 264 . 2 1 1 A 28 28 PRO CA C 62 62.070 62.385 -0.315 1
1 265 . 2 1 1 A 28 28 PRO CB C 62 29.970 31.930 -1.960 1
1 268 . 2 1 1 A 29 29 VAL H H 63 8.744 8.666 0.078 1
1 269 . 2 1 1 A 29 29 VAL HA H 63 4.180 4.595 -0.415 1
1 277 . 2 1 1 A 29 29 VAL CA C 63 60.640 60.138 0.502 1
1 278 . 2 1 1 A 29 29 VAL CB C 63 33.620 33.898 -0.278 1
1 281 . 2 1 1 A 29 29 VAL N N 63 124.299 117.111 7.188 1
1 282 . 2 1 1 A 30 30 ASN H H 64 9.713 9.533 0.180 1
1 283 . 2 1 1 A 30 30 ASN HA H 64 4.410 4.479 -0.069 1
1 288 . 2 1 1 A 30 30 ASN CA C 64 53.320 54.511 -1.191 1
1 289 . 2 1 1 A 30 30 ASN CB C 64 36.540 37.007 -0.467 1
1 290 . 2 1 1 A 30 30 ASN N N 64 129.729 121.532 8.197 1
1 292 . 2 1 1 A 31 31 GLY H H 65 8.862 8.778 0.084 1
1 293 . 2 1 1 A 31 31 GLY HA2 H 65 3.770 4.010 -0.240 1
1 294 . 2 1 1 A 31 31 GLY HA3 H 65 4.250 4.132 0.118 1
1 295 . 2 1 1 A 31 31 GLY CA C 65 44.560 45.651 -1.091 1
1 296 . 2 1 1 A 31 31 GLY N N 65 130.641 105.045 25.596 1
1 297 . 2 1 1 A 32 32 LYS H H 66 7.501 7.959 -0.458 1
1 298 . 2 1 1 A 32 32 LYS HA H 66 5.400 5.352 0.048 1
1 307 . 2 1 1 A 32 32 LYS CA C 66 54.040 54.643 -0.603 1
1 308 . 2 1 1 A 32 32 LYS CB C 66 36.540 36.135 0.405 1
1 312 . 2 1 1 A 32 32 LYS N N 66 118.738 119.792 -1.054 1
1 313 . 2 1 1 A 33 33 ILE H H 67 9.230 9.191 0.039 1
1 314 . 2 1 1 A 33 33 ILE HA H 67 5.010 4.950 0.060 1
1 324 . 2 1 1 A 33 33 ILE CA C 67 57.690 59.054 -1.364 1
1 325 . 2 1 1 A 33 33 ILE CB C 67 40.190 41.190 -1.000 1
1 329 . 2 1 1 A 33 33 ILE N N 67 118.166 118.989 -0.823 1
1 330 . 2 1 1 A 34 34 THR H H 68 8.262 8.577 -0.315 1
1 331 . 2 1 1 A 34 34 THR HA H 68 4.530 4.763 -0.233 1
1 337 . 2 1 1 A 34 34 THR CA C 68 59.100 60.360 -1.260 1
1 338 . 2 1 1 A 34 34 THR CB C 68 70.000 71.623 -1.623 1
1 340 . 2 1 1 A 34 34 THR N N 68 111.971 113.925 -1.954 1
1 341 . 2 1 1 A 35 35 GLY H H 69 9.000 8.913 0.087 1
1 342 . 2 1 1 A 35 35 GLY HA2 H 69 3.540 3.672 -0.132 1
1 343 . 2 1 1 A 35 35 GLY HA3 H 69 3.830 3.889 -0.059 1
1 344 . 2 1 1 A 35 35 GLY CA C 69 47.480 46.769 0.711 1
1 345 . 2 1 1 A 35 35 GLY N N 69 110.304 109.159 1.145 1
1 346 . 2 1 1 A 36 36 ALA H H 70 8.336 7.979 0.357 1
1 347 . 2 1 1 A 36 36 ALA HA H 70 3.880 3.956 -0.076 1
1 351 . 2 1 1 A 36 36 ALA CA C 70 54.040 54.597 -0.557 1
1 352 . 2 1 1 A 36 36 ALA CB C 70 17.570 18.855 -1.285 1
1 353 . 2 1 1 A 36 36 ALA N N 70 123.822 124.576 -0.754 1
1 354 . 2 1 1 A 37 37 ASN H H 71 7.560 7.895 -0.335 1
1 355 . 2 1 1 A 37 37 ASN HA H 71 4.680 4.558 0.122 1
1 360 . 2 1 1 A 37 37 ASN CA C 71 54.040 55.710 -1.670 1
1 361 . 2 1 1 A 37 37 ASN CB C 71 36.500 38.209 -1.709 1
1 362 . 2 1 1 A 37 37 ASN N N 71 118.643 117.261 1.382 1
1 364 . 2 1 1 A 38 38 ALA H H 72 8.810 7.994 0.816 1
1 365 . 2 1 1 A 38 38 ALA HA H 72 4.100 4.342 -0.242 1
1 369 . 2 1 1 A 38 38 ALA CA C 72 54.770 55.542 -0.772 1
1 370 . 2 1 1 A 38 38 ALA CB C 72 18.240 18.992 -0.752 1
1 371 . 2 1 1 A 38 38 ALA N N 72 123.731 122.487 1.244 1
1 372 . 2 1 1 A 39 39 LYS H H 73 8.837 8.067 0.770 1
1 373 . 2 1 1 A 39 39 LYS HA H 73 3.940 3.958 -0.018 1
1 382 . 2 1 1 A 39 39 LYS CA C 73 59.130 59.797 -0.667 1
1 383 . 2 1 1 A 39 39 LYS CB C 73 31.430 32.218 -0.788 1
1 387 . 2 1 1 A 39 39 LYS N N 73 120.046 118.503 1.543 1
1 388 . 2 1 1 A 40 40 LYS H H 74 7.319 7.838 -0.519 1
1 389 . 2 1 1 A 40 40 LYS HA H 74 3.990 3.970 0.020 1
1 398 . 2 1 1 A 40 40 LYS CA C 74 58.470 59.839 -1.369 1
1 399 . 2 1 1 A 40 40 LYS CB C 74 31.430 32.407 -0.977 1
1 403 . 2 1 1 A 40 40 LYS N N 74 118.778 119.211 -0.433 1
1 404 . 2 1 1 A 41 41 GLU H H 75 7.111 7.954 -0.843 1
1 405 . 2 1 1 A 41 41 GLU HA H 75 4.420 4.174 0.246 1
1 410 . 2 1 1 A 41 41 GLU CA C 75 56.200 59.349 -3.149 1
1 411 . 2 1 1 A 41 41 GLU CB C 75 29.240 29.250 -0.010 1
1 413 . 2 1 1 A 41 41 GLU N N 75 117.703 119.035 -1.332 1
1 414 . 2 1 1 A 42 42 MET H H 76 8.603 8.377 0.226 1
1 415 . 2 1 1 A 42 42 MET HA H 76 4.010 4.167 -0.157 1
1 423 . 2 1 1 A 42 42 MET CA C 76 59.100 58.822 0.278 1
1 424 . 2 1 1 A 42 42 MET CB C 76 33.620 33.004 0.616 1
1 427 . 2 1 1 A 42 42 MET N N 76 121.344 119.094 2.250 1
1 428 . 2 1 1 A 43 43 VAL H H 77 8.661 8.179 0.482 1
1 429 . 2 1 1 A 43 43 VAL HA H 77 4.063 3.888 0.175 1
1 437 . 2 1 1 A 43 43 VAL CA C 77 63.530 65.569 -2.039 1
1 438 . 2 1 1 A 43 43 VAL CB C 77 30.700 31.351 -0.651 1
1 441 . 2 1 1 A 43 43 VAL N N 77 117.339 115.422 1.917 1
1 442 . 2 1 1 A 44 44 LYS H H 78 7.464 8.024 -0.560 1
1 443 . 2 1 1 A 44 44 LYS HA H 78 4.110 4.153 -0.043 1
1 452 . 2 1 1 A 44 44 LYS CA C 78 58.400 59.468 -1.068 1
1 453 . 2 1 1 A 44 44 LYS CB C 78 31.430 32.111 -0.681 1
1 457 . 2 1 1 A 44 44 LYS N N 78 124.308 122.041 2.267 1
1 458 . 2 1 1 A 45 45 SER H H 79 7.534 7.625 -0.091 1
1 459 . 2 1 1 A 45 45 SER HA H 79 4.071 4.503 -0.432 1
1 462 . 2 1 1 A 45 45 SER CA C 79 59.880 58.495 1.385 1
1 463 . 2 1 1 A 45 45 SER CB C 79 65.000 63.312 1.688 1
1 464 . 2 1 1 A 45 45 SER N N 79 114.575 112.469 2.106 1
1 465 . 2 1 1 A 46 46 LYS H H 80 7.822 7.833 -0.011 1
1 466 . 2 1 1 A 46 46 LYS HA H 80 3.930 3.791 0.139 1
1 475 . 2 1 1 A 46 46 LYS CA C 80 57.000 57.271 -0.271 1
1 476 . 2 1 1 A 46 46 LYS CB C 80 28.510 29.305 -0.795 1
1 480 . 2 1 1 A 46 46 LYS N N 80 114.855 118.082 -3.227 1
1 481 . 2 1 1 A 47 47 LEU H H 81 7.505 7.781 -0.276 1
1 482 . 2 1 1 A 47 47 LEU HA H 81 4.470 4.710 -0.240 1
1 492 . 2 1 1 A 47 47 LEU CA C 81 52.600 52.627 -0.027 1
1 493 . 2 1 1 A 47 47 LEU CB C 81 40.920 42.175 -1.255 1
1 497 . 2 1 1 A 47 47 LEU N N 81 122.848 119.746 3.102 1
1 498 . 2 1 1 A 48 48 PRO HA H 82 4.510 4.732 -0.222 1
1 505 . 2 1 1 A 48 48 PRO CA C 82 61.340 62.596 -1.256 1
1 506 . 2 1 1 A 48 48 PRO CB C 82 32.100 32.166 -0.066 1
1 509 . 2 1 1 A 49 49 ASN H H 83 7.580 8.814 -1.234 1
1 510 . 2 1 1 A 49 49 ASN HA H 83 4.240 4.417 -0.177 1
1 515 . 2 1 1 A 49 49 ASN CA C 83 56.200 55.995 0.205 1
1 516 . 2 1 1 A 49 49 ASN CB C 83 37.270 37.371 -0.101 1
1 518 . 2 1 1 A 50 50 THR H H 84 7.010 8.029 -1.019 1
1 519 . 2 1 1 A 50 50 THR HA H 84 4.030 4.071 -0.041 1
1 524 . 2 1 1 A 50 50 THR CA C 84 63.500 66.489 -2.989 1
1 525 . 2 1 1 A 50 50 THR CB C 84 67.170 68.115 -0.945 1
1 527 . 2 1 1 A 51 51 VAL H H 85 6.887 8.049 -1.162 1
1 528 . 2 1 1 A 51 51 VAL HA H 85 3.650 3.646 0.004 1
1 536 . 2 1 1 A 51 51 VAL CA C 85 64.200 66.809 -2.609 1
1 537 . 2 1 1 A 51 51 VAL CB C 85 30.700 31.496 -0.796 1
1 540 . 2 1 1 A 51 51 VAL N N 85 125.031 121.966 3.065 1
1 541 . 2 1 1 A 52 52 LEU H H 86 8.043 8.186 -0.143 1
1 542 . 2 1 1 A 52 52 LEU HA H 86 3.730 4.060 -0.330 1
1 552 . 2 1 1 A 52 52 LEU CA C 86 56.960 58.133 -1.173 1
1 553 . 2 1 1 A 52 52 LEU CB C 86 39.430 41.611 -2.181 1
1 557 . 2 1 1 A 52 52 LEU N N 86 121.307 120.381 0.926 1
1 558 . 2 1 1 A 53 53 GLY H H 87 8.420 8.283 0.137 1
1 559 . 2 1 1 A 53 53 GLY HA2 H 87 3.890 3.685 0.205 1
1 560 . 2 1 1 A 53 53 GLY HA3 H 87 3.980 3.715 0.265 1
1 561 . 2 1 1 A 53 53 GLY CA C 87 46.020 47.321 -1.301 1
1 562 . 2 1 1 A 53 53 GLY N N 87 108.274 107.013 1.261 1
1 563 . 2 1 1 A 54 54 LYS H H 88 7.327 7.912 -0.585 1
1 564 . 2 1 1 A 54 54 LYS HA H 88 4.130 4.026 0.104 1
1 573 . 2 1 1 A 54 54 LYS CA C 88 58.420 59.411 -0.991 1
1 574 . 2 1 1 A 54 54 LYS CB C 88 31.430 32.342 -0.912 1
1 578 . 2 1 1 A 54 54 LYS N N 88 125.389 122.117 3.272 1
1 579 . 2 1 1 A 55 55 ILE H H 89 8.075 8.505 -0.430 1
1 580 . 2 1 1 A 55 55 ILE HA H 89 3.470 3.585 -0.115 1
1 590 . 2 1 1 A 55 55 ILE CA C 89 65.720 65.904 -0.184 1
1 591 . 2 1 1 A 55 55 ILE CB C 89 36.540 38.197 -1.657 1
1 595 . 2 1 1 A 55 55 ILE N N 89 122.261 120.535 1.726 1
1 596 . 2 1 1 A 56 56 TRP H H 90 8.706 8.791 -0.085 1
1 597 . 2 1 1 A 56 56 TRP HA H 90 3.810 4.170 -0.360 1
1 606 . 2 1 1 A 56 56 TRP CA C 90 60.610 60.501 0.109 1
1 607 . 2 1 1 A 56 56 TRP CB C 90 27.790 29.969 -2.179 1
1 613 . 2 1 1 A 56 56 TRP N N 90 121.947 121.533 0.414 1
1 615 . 2 1 1 A 57 57 LYS H H 91 7.581 7.951 -0.370 1
1 616 . 2 1 1 A 57 57 LYS HA H 91 3.960 4.194 -0.234 1
1 625 . 2 1 1 A 57 57 LYS CA C 91 58.420 58.567 -0.147 1
1 626 . 2 1 1 A 57 57 LYS CB C 91 31.430 32.371 -0.941 1
1 630 . 2 1 1 A 57 57 LYS N N 91 116.801 120.247 -3.446 1
1 631 . 2 1 1 A 58 58 LEU H H 92 7.571 7.580 -0.009 1
1 632 . 2 1 1 A 58 58 LEU HA H 92 3.990 4.205 -0.215 1
1 642 . 2 1 1 A 58 58 LEU CA C 92 56.200 56.824 -0.624 1
1 643 . 2 1 1 A 58 58 LEU CB C 92 43.100 42.248 0.852 1
1 647 . 2 1 1 A 58 58 LEU N N 92 119.520 119.088 0.432 1
1 648 . 2 1 1 A 59 59 ALA H H 93 8.135 7.831 0.304 1
1 649 . 2 1 1 A 59 59 ALA HA H 93 4.120 4.202 -0.082 1
1 653 . 2 1 1 A 59 59 ALA CA C 93 52.590 54.724 -2.134 1
1 654 . 2 1 1 A 59 59 ALA CB C 93 18.300 18.222 0.078 1
1 655 . 2 1 1 A 59 59 ALA N N 93 120.126 120.195 -0.069 1
1 656 . 2 1 1 A 60 60 ASP H H 94 7.530 8.054 -0.524 1
1 657 . 2 1 1 A 60 60 ASP HA H 94 4.540 4.354 0.186 1
1 660 . 2 1 1 A 60 60 ASP CA C 94 51.100 53.729 -2.629 1
1 661 . 2 1 1 A 60 60 ASP CB C 94 35.840 39.953 -4.113 1
1 662 . 2 1 1 A 60 60 ASP N N 94 115.380 117.382 -2.002 1
1 663 . 2 1 1 A 61 61 VAL H H 95 8.340 8.268 0.072 1
1 664 . 2 1 1 A 61 61 VAL HA H 95 3.500 3.870 -0.370 1
1 672 . 2 1 1 A 61 61 VAL CA C 95 65.000 66.043 -1.043 1
1 673 . 2 1 1 A 61 61 VAL CB C 95 31.430 31.452 -0.022 1
1 676 . 2 1 1 A 61 61 VAL N N 95 129.560 124.720 4.840 1
1 677 . 2 1 1 A 62 62 ASP H H 96 7.927 7.708 0.219 1
1 678 . 2 1 1 A 62 62 ASP HA H 96 4.530 4.527 0.003 1
1 681 . 2 1 1 A 62 62 ASP CA C 96 51.800 53.336 -1.536 1
1 682 . 2 1 1 A 62 62 ASP CB C 96 38.700 40.228 -1.528 1
1 683 . 2 1 1 A 62 62 ASP N N 96 115.789 117.472 -1.683 1
1 684 . 2 1 1 A 63 63 LYS H H 97 7.551 7.785 -0.234 1
1 685 . 2 1 1 A 63 63 LYS HA H 97 3.860 4.323 -0.463 1
1 694 . 2 1 1 A 63 63 LYS CA C 97 56.960 57.285 -0.325 1
1 695 . 2 1 1 A 63 63 LYS CB C 97 28.520 29.204 -0.684 1
1 699 . 2 1 1 A 63 63 LYS N N 97 115.740 115.242 0.498 1
1 700 . 2 1 1 A 64 64 ASP H H 98 8.363 8.260 0.103 1
1 701 . 2 1 1 A 64 64 ASP HA H 98 4.660 4.686 -0.026 1
1 704 . 2 1 1 A 64 64 ASP CA C 98 52.600 53.010 -0.410 1
1 705 . 2 1 1 A 64 64 ASP CB C 98 40.190 40.314 -0.124 1
1 706 . 2 1 1 A 64 64 ASP N N 98 120.463 118.336 2.127 1
1 707 . 2 1 1 A 65 65 GLY H H 99 10.641 8.464 2.177 1
1 708 . 2 1 1 A 65 65 GLY HA2 H 99 3.850 4.095 -0.245 1
1 709 . 2 1 1 A 65 65 GLY HA3 H 99 4.322 4.333 -0.011 1
1 710 . 2 1 1 A 65 65 GLY CA C 99 44.800 46.359 -1.559 1
1 711 . 2 1 1 A 65 65 GLY N N 99 115.730 111.012 4.718 1
1 712 . 2 1 1 A 66 66 LEU H H 100 8.157 7.795 0.362 1
1 713 . 2 1 1 A 66 66 LEU HA H 100 5.120 5.114 0.006 1
1 723 . 2 1 1 A 66 66 LEU CA C 100 52.600 53.079 -0.479 1
1 724 . 2 1 1 A 66 66 LEU CB C 100 44.600 45.596 -0.996 1
1 728 . 2 1 1 A 66 66 LEU N N 100 123.435 121.440 1.995 1
1 729 . 2 1 1 A 67 67 LEU H H 101 8.687 9.198 -0.511 1
1 730 . 2 1 1 A 67 67 LEU HA H 101 5.800 4.984 0.816 1
1 740 . 2 1 1 A 67 67 LEU CA C 101 51.860 53.790 -1.930 1
1 741 . 2 1 1 A 67 67 LEU CB C 101 42.370 43.274 -0.904 1
1 745 . 2 1 1 A 67 67 LEU N N 101 121.109 122.668 -1.559 1
1 746 . 2 1 1 A 68 68 ASP H H 102 9.229 8.771 0.458 1
1 747 . 2 1 1 A 68 68 ASP HA H 102 5.610 4.995 0.615 1
1 750 . 2 1 1 A 68 68 ASP CA C 102 51.130 52.824 -1.694 1
1 751 . 2 1 1 A 68 68 ASP CB C 102 40.190 41.341 -1.151 1
1 752 . 2 1 1 A 68 68 ASP N N 102 124.386 125.761 -1.375 1
1 753 . 2 1 1 A 69 69 ASP H H 103 8.529 8.588 -0.059 1
1 754 . 2 1 1 A 69 69 ASP HA H 103 2.830 2.946 -0.116 1
1 757 . 2 1 1 A 69 69 ASP CA C 103 56.230 58.020 -1.790 1
1 758 . 2 1 1 A 69 69 ASP CB C 103 37.238 41.073 -3.835 1
1 759 . 2 1 1 A 69 69 ASP N N 103 117.423 119.369 -1.946 1
1 760 . 2 1 1 A 70 70 GLU H H 104 7.991 7.737 0.254 1
1 761 . 2 1 1 A 70 70 GLU HA H 104 4.061 4.370 -0.309 1
1 766 . 2 1 1 A 70 70 GLU CA C 104 59.130 59.413 -0.283 1
1 767 . 2 1 1 A 70 70 GLU CB C 104 29.134 29.720 -0.586 1
1 769 . 2 1 1 A 70 70 GLU N N 104 124.895 118.650 6.245 1
1 770 . 2 1 1 A 71 71 GLU H H 105 8.742 8.601 0.141 1
1 771 . 2 1 1 A 71 71 GLU HA H 105 4.000 4.114 -0.114 1
1 776 . 2 1 1 A 71 71 GLU CA C 105 59.150 59.074 0.076 1
1 777 . 2 1 1 A 71 71 GLU CB C 105 30.700 29.435 1.265 1
1 779 . 2 1 1 A 71 71 GLU N N 105 123.465 120.179 3.286 1
1 780 . 2 1 1 A 72 72 PHE H H 106 9.426 8.801 0.625 1
1 781 . 2 1 1 A 72 72 PHE HA H 106 4.230 4.111 0.119 1
1 789 . 2 1 1 A 72 72 PHE CA C 106 59.900 61.583 -1.683 1
1 790 . 2 1 1 A 72 72 PHE CB C 106 38.730 38.733 -0.003 1
1 796 . 2 1 1 A 72 72 PHE N N 106 120.806 122.265 -1.459 1
1 797 . 2 1 1 A 73 73 ALA H H 107 8.085 8.128 -0.043 1
1 798 . 2 1 1 A 73 73 ALA HA H 107 3.770 3.862 -0.092 1
1 802 . 2 1 1 A 73 73 ALA CA C 107 54.040 55.138 -1.098 1
1 803 . 2 1 1 A 73 73 ALA CB C 107 16.870 17.957 -1.087 1
1 804 . 2 1 1 A 73 73 ALA N N 107 126.845 121.258 5.587 1
1 805 . 2 1 1 A 74 74 LEU H H 108 8.431 8.208 0.223 1
1 806 . 2 1 1 A 74 74 LEU HA H 108 4.050 3.936 0.114 1
1 816 . 2 1 1 A 74 74 LEU CA C 108 56.960 57.918 -0.958 1
1 817 . 2 1 1 A 74 74 LEU CB C 108 41.600 41.544 0.056 1
1 821 . 2 1 1 A 74 74 LEU N N 108 121.250 120.359 0.891 1
1 822 . 2 1 1 A 75 75 ALA H H 109 8.651 8.296 0.355 1
1 823 . 2 1 1 A 75 75 ALA HA H 109 3.657 3.946 -0.289 1
1 827 . 2 1 1 A 75 75 ALA CA C 109 54.770 55.419 -0.649 1
1 828 . 2 1 1 A 75 75 ALA CB C 109 16.110 18.139 -2.029 1
1 829 . 2 1 1 A 75 75 ALA N N 109 122.981 120.647 2.334 1
1 830 . 2 1 1 A 76 76 ASN H H 110 7.240 7.903 -0.663 1
1 831 . 2 1 1 A 76 76 ASN HA H 110 3.790 4.105 -0.315 1
1 836 . 2 1 1 A 76 76 ASN CA C 110 55.540 55.899 -0.359 1
1 837 . 2 1 1 A 76 76 ASN CB C 110 37.200 36.915 0.285 1
1 838 . 2 1 1 A 76 76 ASN N N 110 115.681 116.045 -0.364 1
1 840 . 2 1 1 A 77 77 HIS H H 111 8.345 7.602 0.743 1
1 841 . 2 1 1 A 77 77 HIS HA H 111 4.094 4.291 -0.197 1
1 846 . 2 1 1 A 77 77 HIS CA C 111 59.150 59.487 -0.337 1
1 847 . 2 1 1 A 77 77 HIS CB C 111 30.700 29.540 1.160 1
1 850 . 2 1 1 A 77 77 HIS N N 111 124.686 120.603 4.083 1
1 851 . 2 1 1 A 78 78 LEU H H 112 8.290 8.132 0.158 1
1 852 . 2 1 1 A 78 78 LEU HA H 112 3.810 3.860 -0.050 1
1 862 . 2 1 1 A 78 78 LEU CA C 112 56.200 57.749 -1.549 1
1 863 . 2 1 1 A 78 78 LEU CB C 112 41.600 41.201 0.399 1
1 867 . 2 1 1 A 78 78 LEU N N 112 119.085 119.275 -0.190 1
1 868 . 2 1 1 A 79 79 ILE H H 113 7.792 8.265 -0.473 1
1 869 . 2 1 1 A 79 79 ILE HA H 113 3.290 3.454 -0.164 1
1 879 . 2 1 1 A 79 79 ILE CA C 113 65.000 65.761 -0.761 1
1 880 . 2 1 1 A 79 79 ILE CB C 113 37.200 37.776 -0.576 1
1 884 . 2 1 1 A 79 79 ILE N N 113 121.304 119.804 1.500 1
1 885 . 2 1 1 A 80 80 LYS H H 114 7.546 7.725 -0.179 1
1 886 . 2 1 1 A 80 80 LYS HA H 114 3.820 3.991 -0.171 1
1 895 . 2 1 1 A 80 80 LYS CA C 114 59.100 59.506 -0.406 1
1 896 . 2 1 1 A 80 80 LYS CB C 114 30.700 32.303 -1.603 1
1 900 . 2 1 1 A 80 80 LYS N N 114 122.150 119.007 3.143 1
1 901 . 2 1 1 A 81 81 VAL H H 115 8.110 7.859 0.251 1
1 902 . 2 1 1 A 81 81 VAL HA H 115 3.740 3.526 0.214 1
1 910 . 2 1 1 A 81 81 VAL CA C 115 64.900 66.800 -1.900 1
1 911 . 2 1 1 A 81 81 VAL CB C 115 30.720 31.335 -0.615 1
1 914 . 2 1 1 A 81 81 VAL N N 115 118.999 120.109 -1.110 1
1 915 . 2 1 1 A 82 82 LYS H H 116 7.853 8.084 -0.231 1
1 916 . 2 1 1 A 82 82 LYS HA H 116 4.540 4.046 0.494 1
1 925 . 2 1 1 A 82 82 LYS CA C 116 56.230 59.512 -3.282 1
1 926 . 2 1 1 A 82 82 LYS CB C 116 30.700 31.956 -1.256 1
1 930 . 2 1 1 A 82 82 LYS N N 116 123.030 120.236 2.794 1
1 931 . 2 1 1 A 83 83 LEU H H 117 8.959 8.315 0.644 1
1 932 . 2 1 1 A 83 83 LEU HA H 117 4.080 4.151 -0.071 1
1 942 . 2 1 1 A 83 83 LEU CA C 117 56.900 55.857 1.043 1
1 943 . 2 1 1 A 83 83 LEU CB C 117 40.920 41.823 -0.903 1
1 947 . 2 1 1 A 83 83 LEU N N 117 125.378 119.302 6.076 1
1 948 . 2 1 1 A 84 84 GLU H H 118 7.817 7.942 -0.125 1
1 949 . 2 1 1 A 84 84 GLU HA H 118 4.150 4.446 -0.296 1
1 954 . 2 1 1 A 84 84 GLU CA C 118 56.200 56.711 -0.511 1
1 955 . 2 1 1 A 84 84 GLU CB C 118 29.200 30.366 -1.166 1
1 957 . 2 1 1 A 84 84 GLU N N 118 119.766 118.162 1.604 1
1 958 . 2 1 1 A 85 85 GLY H H 119 7.862 8.022 -0.160 1
1 959 . 2 1 1 A 85 85 GLY HA2 H 119 3.640 3.814 -0.174 1
1 960 . 2 1 1 A 85 85 GLY HA3 H 119 4.140 3.858 0.282 1
1 961 . 2 1 1 A 85 85 GLY CA C 119 43.800 45.840 -2.040 1
1 962 . 2 1 1 A 85 85 GLY N N 119 107.902 108.217 -0.315 1
1 963 . 2 1 1 A 86 86 HIS H H 120 7.714 8.008 -0.294 1
1 964 . 2 1 1 A 86 86 HIS HA H 120 4.680 4.981 -0.301 1
1 969 . 2 1 1 A 86 86 HIS CA C 120 54.000 55.511 -1.511 1
1 970 . 2 1 1 A 86 86 HIS CB C 120 30.000 34.481 -4.481 1
1 972 . 2 1 1 A 86 86 HIS N N 120 122.124 117.142 4.982 1
1 973 . 2 1 1 A 87 87 GLU H H 121 8.491 8.871 -0.380 1
1 974 . 2 1 1 A 87 87 GLU HA H 121 4.300 5.040 -0.740 1
1 979 . 2 1 1 A 87 87 GLU CA C 121 54.040 54.538 -0.498 1
1 980 . 2 1 1 A 87 87 GLU CB C 121 29.240 33.524 -4.284 1
1 982 . 2 1 1 A 87 87 GLU N N 121 121.826 120.924 0.902 1
1 983 . 2 1 1 A 88 88 LEU H H 122 8.672 8.718 -0.046 1
1 984 . 2 1 1 A 88 88 LEU HA H 122 4.410 4.998 -0.588 1
1 994 . 2 1 1 A 88 88 LEU CA C 122 51.130 50.806 0.324 1
1 995 . 2 1 1 A 88 88 LEU CB C 122 40.200 44.048 -3.848 1
1 999 . 2 1 1 A 88 88 LEU N N 122 125.316 122.472 2.844 1
1 1000 . 2 1 1 A 89 89 PRO HA H 123 4.560 4.512 0.048 1
1 1007 . 2 1 1 A 89 89 PRO CA C 123 61.340 63.465 -2.125 1
1 1008 . 2 1 1 A 89 89 PRO CB C 123 30.700 32.226 -1.526 1
1 1011 . 2 1 1 A 90 90 ALA H H 124 8.464 7.957 0.507 1
1 1012 . 2 1 1 A 90 90 ALA HA H 124 4.063 3.927 0.136 1
1 1016 . 2 1 1 A 90 90 ALA CA C 124 53.320 53.370 -0.050 1
1 1017 . 2 1 1 A 90 90 ALA CB C 124 18.300 17.638 0.662 1
1 1018 . 2 1 1 A 90 90 ALA N N 124 123.603 119.473 4.130 1
1 1019 . 2 1 1 A 91 91 ASP H H 125 7.482 7.825 -0.343 1
1 1020 . 2 1 1 A 91 91 ASP HA H 125 4.640 5.238 -0.598 1
1 1023 . 2 1 1 A 91 91 ASP CA C 125 50.430 52.882 -2.452 1
1 1024 . 2 1 1 A 91 91 ASP CB C 125 43.100 44.749 -1.649 1
1 1025 . 2 1 1 A 91 91 ASP N N 125 115.317 115.691 -0.374 1
1 1026 . 2 1 1 A 92 92 LEU H H 126 8.883 9.132 -0.249 1
1 1027 . 2 1 1 A 92 92 LEU HA H 126 4.189 4.817 -0.628 1
1 1037 . 2 1 1 A 92 92 LEU CA C 126 52.500 51.340 1.160 1
1 1038 . 2 1 1 A 92 92 LEU CB C 126 41.600 42.986 -1.386 1
1 1042 . 2 1 1 A 92 92 LEU N N 126 125.329 123.823 1.506 1
1 1043 . 2 1 1 A 93 93 PRO HA H 127 4.860 4.498 0.362 1
1 1050 . 2 1 1 A 93 93 PRO CA C 127 59.800 61.730 -1.930 1
1 1051 . 2 1 1 A 93 93 PRO CB C 127 29.970 32.315 -2.345 1
1 1054 . 2 1 1 A 94 94 PRO HA H 128 4.210 4.114 0.096 1
1 1061 . 2 1 1 A 94 94 PRO CA C 128 65.000 65.201 -0.201 1
1 1062 . 2 1 1 A 94 94 PRO CB C 128 31.430 31.669 -0.239 1
1 1065 . 2 1 1 A 95 95 HIS H H 129 7.922 7.935 -0.013 1
1 1066 . 2 1 1 A 95 95 HIS HA H 129 4.640 4.591 0.049 1
1 1071 . 2 1 1 A 95 95 HIS CA C 129 56.900 56.060 0.840 1
1 1072 . 2 1 1 A 95 95 HIS CB C 129 28.550 29.888 -1.338 1
1 1075 . 2 1 1 A 95 95 HIS N N 129 112.757 114.473 -1.716 1
1 1076 . 2 1 1 A 96 96 LEU H H 130 7.717 8.203 -0.486 1
1 1077 . 2 1 1 A 96 96 LEU HA H 130 4.640 4.678 -0.038 1
1 1087 . 2 1 1 A 96 96 LEU CA C 130 53.300 54.379 -1.079 1
1 1088 . 2 1 1 A 96 96 LEU CB C 130 42.370 43.118 -0.748 1
1 1092 . 2 1 1 A 96 96 LEU N N 130 121.128 119.985 1.143 1
1 1093 . 2 1 1 A 97 97 VAL H H 131 7.184 7.710 -0.526 1
1 1094 . 2 1 1 A 97 97 VAL HA H 131 3.730 4.158 -0.428 1
1 1102 . 2 1 1 A 97 97 VAL CA C 131 60.640 59.574 1.066 1
1 1103 . 2 1 1 A 97 97 VAL CB C 131 31.420 31.925 -0.505 1
1 1106 . 2 1 1 A 97 97 VAL N N 131 125.572 121.200 4.372 1
1 1107 . 2 1 1 A 98 98 PRO HA H 132 2.680 2.924 -0.244 1
1 1114 . 2 1 1 A 98 98 PRO CA C 132 59.880 61.474 -1.594 1
1 1115 . 2 1 1 A 98 98 PRO CB C 132 30.700 31.827 -1.127 1
1 1118 . 2 1 1 A 99 99 PRO HA H 133 3.600 4.008 -0.408 1
1 1125 . 2 1 1 A 99 99 PRO CA C 133 64.990 65.214 -0.224 1
1 1126 . 2 1 1 A 99 99 PRO CB C 133 31.400 31.718 -0.318 1
1 1129 . 2 1 1 A 100 100 SER H H 134 9.200 8.056 1.144 1
1 1130 . 2 1 1 A 100 100 SER HA H 134 4.150 4.381 -0.231 1
1 1133 . 2 1 1 A 100 100 SER CA C 134 59.880 59.155 0.725 1
1 1134 . 2 1 1 A 100 100 SER CB C 134 61.340 63.148 -1.808 1
1 1135 . 2 1 1 A 100 100 SER N N 134 115.005 112.394 2.611 1
1 1136 . 2 1 1 A 101 101 LYS H H 135 7.867 7.812 0.055 1
1 1137 . 2 1 1 A 101 101 LYS HA H 135 4.447 4.493 -0.046 1
1 1146 . 2 1 1 A 101 101 LYS CA C 135 52.600 55.132 -2.532 1
1 1147 . 2 1 1 A 101 101 LYS CB C 135 30.700 32.974 -2.274 1
1 1151 . 2 1 1 A 101 101 LYS N N 135 121.053 118.123 2.930 1
1 1152 . 2 1 1 A 102 102 ARG H H 136 7.077 7.310 -0.233 1
1 1153 . 2 1 1 A 102 102 ARG HA H 136 4.100 4.683 -0.583 1
1 1164 . 2 1 1 A 102 102 ARG CA C 136 55.500 55.315 0.185 1
1 1165 . 2 1 1 A 102 102 ARG CB C 136 30.000 31.991 -1.991 1
1 1168 . 2 1 1 A 102 102 ARG N N 136 121.939 116.685 5.254 1
1 1169 . 2 1 1 A 103 103 ARG H H 137 8.289 8.352 -0.063 1
1 1170 . 2 1 1 A 103 103 ARG HA H 137 4.290 4.556 -0.266 1
1 1181 . 2 1 1 A 103 103 ARG CA C 137 54.770 54.762 0.008 1
1 1182 . 2 1 1 A 103 103 ARG CB C 137 30.000 32.770 -2.770 1
1 1185 . 2 1 1 A 103 103 ARG N N 137 123.504 121.869 1.635 1
1 1186 . 2 1 1 A 104 104 HIS H H 138 8.370 8.525 -0.155 1
1 1187 . 2 1 1 A 104 104 HIS HA H 138 4.660 5.061 -0.401 1
1 1192 . 2 1 1 A 104 104 HIS CA C 138 54.040 53.991 0.049 1
1 1193 . 2 1 1 A 104 104 HIS CB C 138 29.240 32.377 -3.137 1
1 1 . 3 1 1 A 7 7 ASP H H 41 8.479 8.911 -0.432 1
1 2 . 3 1 1 A 7 7 ASP HA H 41 4.595 5.312 -0.717 1
1 5 . 3 1 1 A 7 7 ASP CA C 41 52.900 52.990 -0.090 1
1 6 . 3 1 1 A 7 7 ASP CB C 41 39.760 44.452 -4.692 1
1 7 . 3 1 1 A 7 7 ASP N N 41 124.447 126.957 -2.510 1
1 8 . 3 1 1 A 8 8 VAL H H 42 7.916 8.890 -0.974 1
1 9 . 3 1 1 A 8 8 VAL HA H 42 4.140 4.720 -0.580 1
1 17 . 3 1 1 A 8 8 VAL CA C 42 60.610 59.911 0.699 1
1 18 . 3 1 1 A 8 8 VAL CB C 42 32.160 33.906 -1.746 1
1 21 . 3 1 1 A 8 8 VAL N N 42 120.853 124.913 -4.060 1
1 22 . 3 1 1 A 9 9 GLU H H 43 8.476 8.646 -0.170 1
1 23 . 3 1 1 A 9 9 GLU HA H 43 4.290 4.560 -0.270 1
1 28 . 3 1 1 A 9 9 GLU CA C 43 55.500 56.516 -1.016 1
1 29 . 3 1 1 A 9 9 GLU CB C 43 29.400 30.682 -1.282 1
1 31 . 3 1 1 A 9 9 GLU N N 43 127.650 127.617 0.033 1
1 32 . 3 1 1 A 10 10 TRP H H 44 8.839 8.616 0.223 1
1 33 . 3 1 1 A 10 10 TRP HA H 44 5.220 4.899 0.321 1
1 42 . 3 1 1 A 10 10 TRP CA C 44 54.040 55.822 -1.782 1
1 43 . 3 1 1 A 10 10 TRP CB C 44 27.800 29.497 -1.697 1
1 49 . 3 1 1 A 10 10 TRP N N 44 126.378 128.738 -2.360 1
1 50 . 3 1 1 A 11 11 VAL H H 45 9.230 8.476 0.754 1
1 51 . 3 1 1 A 11 11 VAL HA H 45 3.891 4.279 -0.388 1
1 59 . 3 1 1 A 11 11 VAL CA C 45 63.530 63.989 -0.459 1
1 60 . 3 1 1 A 11 11 VAL CB C 45 30.700 31.301 -0.601 1
1 63 . 3 1 1 A 11 11 VAL N N 45 131.353 125.795 5.558 1
1 64 . 3 1 1 A 12 12 VAL H H 46 5.000 6.883 -1.883 1
1 65 . 3 1 1 A 12 12 VAL HA H 46 3.033 3.396 -0.363 1
1 73 . 3 1 1 A 12 12 VAL CA C 46 60.650 65.218 -4.568 1
1 74 . 3 1 1 A 12 12 VAL CB C 46 29.280 30.688 -1.408 1
1 77 . 3 1 1 A 13 13 GLY H H 47 7.330 8.654 -1.324 1
1 78 . 3 1 1 A 13 13 GLY HA2 H 47 3.580 3.907 -0.327 1
1 79 . 3 1 1 A 13 13 GLY HA3 H 47 4.180 3.943 0.237 1
1 80 . 3 1 1 A 13 13 GLY CA C 47 46.760 47.060 -0.300 1
1 81 . 3 1 1 A 14 14 LYS H H 48 7.570 8.834 -1.264 1
1 82 . 3 1 1 A 14 14 LYS HA H 48 4.065 4.115 -0.050 1
1 91 . 3 1 1 A 14 14 LYS CA C 48 57.700 58.843 -1.143 1
1 92 . 3 1 1 A 14 14 LYS CB C 48 30.700 31.504 -0.804 1
1 96 . 3 1 1 A 14 14 LYS N N 48 121.084 118.955 2.129 1
1 97 . 3 1 1 A 15 15 ASP H H 49 7.309 7.669 -0.360 1
1 98 . 3 1 1 A 15 15 ASP HA H 49 4.778 4.845 -0.067 1
1 101 . 3 1 1 A 15 15 ASP CA C 49 52.880 53.399 -0.519 1
1 102 . 3 1 1 A 15 15 ASP CB C 49 42.300 41.437 0.863 1
1 103 . 3 1 1 A 15 15 ASP N N 49 118.181 119.231 -1.050 1
1 104 . 3 1 1 A 16 16 LYS H H 50 7.506 7.539 -0.033 1
1 105 . 3 1 1 A 16 16 LYS HA H 50 4.061 4.048 0.013 1
1 114 . 3 1 1 A 16 16 LYS CA C 50 60.610 61.319 -0.709 1
1 115 . 3 1 1 A 16 16 LYS CB C 50 30.700 31.040 -0.340 1
1 119 . 3 1 1 A 16 16 LYS N N 50 123.633 120.108 3.525 1
1 120 . 3 1 1 A 17 17 PRO HA H 51 4.430 4.183 0.247 1
1 127 . 3 1 1 A 17 17 PRO CA C 51 65.720 66.442 -0.722 1
1 128 . 3 1 1 A 17 17 PRO CB C 51 29.970 30.508 -0.538 1
1 131 . 3 1 1 A 18 18 THR H H 52 7.280 7.469 -0.189 1
1 132 . 3 1 1 A 18 18 THR HA H 52 3.970 4.193 -0.223 1
1 137 . 3 1 1 A 18 18 THR CA C 52 64.990 65.221 -0.231 1
1 138 . 3 1 1 A 18 18 THR CB C 52 67.170 68.232 -1.062 1
1 140 . 3 1 1 A 18 18 THR N N 52 115.095 109.980 5.115 1
1 141 . 3 1 1 A 19 19 TYR H H 53 7.083 7.519 -0.436 1
1 142 . 3 1 1 A 19 19 TYR HA H 53 4.716 4.446 0.270 1
1 149 . 3 1 1 A 19 19 TYR CA C 53 57.400 62.127 -4.727 1
1 150 . 3 1 1 A 19 19 TYR CB C 53 35.800 37.215 -1.415 1
1 155 . 3 1 1 A 19 19 TYR N N 53 125.380 119.869 5.511 1
1 156 . 3 1 1 A 20 20 ASP H H 54 9.596 8.818 0.778 1
1 157 . 3 1 1 A 20 20 ASP HA H 54 4.492 4.364 0.128 1
1 160 . 3 1 1 A 20 20 ASP CA C 54 56.200 57.580 -1.380 1
1 161 . 3 1 1 A 20 20 ASP CB C 54 38.730 41.115 -2.385 1
1 162 . 3 1 1 A 20 20 ASP N N 54 124.548 121.954 2.594 1
1 163 . 3 1 1 A 21 21 GLU H H 55 7.309 8.050 -0.741 1
1 164 . 3 1 1 A 21 21 GLU HA H 55 4.140 4.042 0.098 1
1 169 . 3 1 1 A 21 21 GLU CA C 55 58.420 59.242 -0.822 1
1 170 . 3 1 1 A 21 21 GLU CB C 55 29.250 29.274 -0.024 1
1 172 . 3 1 1 A 21 21 GLU N N 55 118.181 118.401 -0.220 1
1 173 . 3 1 1 A 22 22 ILE H H 56 7.249 7.362 -0.113 1
1 174 . 3 1 1 A 22 22 ILE HA H 56 3.940 4.005 -0.065 1
1 184 . 3 1 1 A 22 22 ILE CA C 56 62.870 64.436 -1.566 1
1 185 . 3 1 1 A 22 22 ILE CB C 56 38.000 38.018 -0.018 1
1 189 . 3 1 1 A 22 22 ILE N N 56 118.978 121.205 -2.227 1
1 190 . 3 1 1 A 23 23 PHE H H 57 9.117 8.985 0.132 1
1 191 . 3 1 1 A 23 23 PHE HA H 57 3.090 3.819 -0.729 1
1 199 . 3 1 1 A 23 23 PHE CA C 57 61.300 61.550 -0.250 1
1 200 . 3 1 1 A 23 23 PHE CB C 57 38.730 39.277 -0.547 1
1 206 . 3 1 1 A 23 23 PHE N N 57 127.639 121.278 6.361 1
1 207 . 3 1 1 A 24 24 TYR H H 58 7.922 8.112 -0.190 1
1 208 . 3 1 1 A 24 24 TYR HA H 58 3.990 4.475 -0.485 1
1 215 . 3 1 1 A 24 24 TYR CA C 58 60.610 61.103 -0.493 1
1 216 . 3 1 1 A 24 24 TYR CB C 58 36.540 38.151 -1.611 1
1 221 . 3 1 1 A 24 24 TYR N N 58 112.757 114.502 -1.745 1
1 222 . 3 1 1 A 25 25 THR H H 59 8.081 7.758 0.323 1
1 223 . 3 1 1 A 25 25 THR HA H 59 4.640 4.407 0.233 1
1 229 . 3 1 1 A 25 25 THR CA C 59 62.070 62.733 -0.663 1
1 230 . 3 1 1 A 25 25 THR CB C 59 68.630 69.456 -0.826 1
1 232 . 3 1 1 A 25 25 THR N N 59 112.676 109.590 3.086 1
1 233 . 3 1 1 A 26 26 LEU H H 60 7.373 7.146 0.227 1
1 234 . 3 1 1 A 26 26 LEU HA H 60 4.460 4.295 0.165 1
1 244 . 3 1 1 A 26 26 LEU CA C 60 52.600 54.146 -1.546 1
1 245 . 3 1 1 A 26 26 LEU CB C 60 39.400 41.676 -2.276 1
1 249 . 3 1 1 A 26 26 LEU N N 60 125.808 120.677 5.131 1
1 250 . 3 1 1 A 27 27 SER H H 61 7.860 7.918 -0.058 1
1 251 . 3 1 1 A 27 27 SER HA H 61 3.980 3.973 0.007 1
1 254 . 3 1 1 A 27 27 SER CA C 61 56.960 58.972 -2.012 1
1 255 . 3 1 1 A 27 27 SER CB C 61 60.640 61.572 -0.932 1
1 256 . 3 1 1 A 27 27 SER N N 61 111.582 113.924 -2.342 1
1 257 . 3 1 1 A 28 28 PRO HA H 62 4.190 4.535 -0.345 1
1 264 . 3 1 1 A 28 28 PRO CA C 62 62.070 62.283 -0.213 1
1 265 . 3 1 1 A 28 28 PRO CB C 62 29.970 31.626 -1.656 1
1 268 . 3 1 1 A 29 29 VAL H H 63 8.744 8.639 0.105 1
1 269 . 3 1 1 A 29 29 VAL HA H 63 4.180 4.596 -0.416 1
1 277 . 3 1 1 A 29 29 VAL CA C 63 60.640 60.386 0.254 1
1 278 . 3 1 1 A 29 29 VAL CB C 63 33.620 33.414 0.206 1
1 281 . 3 1 1 A 29 29 VAL N N 63 124.299 117.078 7.221 1
1 282 . 3 1 1 A 30 30 ASN H H 64 9.713 9.483 0.230 1
1 283 . 3 1 1 A 30 30 ASN HA H 64 4.410 4.472 -0.062 1
1 288 . 3 1 1 A 30 30 ASN CA C 64 53.320 54.748 -1.428 1
1 289 . 3 1 1 A 30 30 ASN CB C 64 36.540 37.290 -0.750 1
1 290 . 3 1 1 A 30 30 ASN N N 64 129.729 121.981 7.748 1
1 292 . 3 1 1 A 31 31 GLY H H 65 8.862 8.662 0.200 1
1 293 . 3 1 1 A 31 31 GLY HA2 H 65 3.770 3.955 -0.185 1
1 294 . 3 1 1 A 31 31 GLY HA3 H 65 4.250 4.035 0.215 1
1 295 . 3 1 1 A 31 31 GLY CA C 65 44.560 45.692 -1.132 1
1 296 . 3 1 1 A 31 31 GLY N N 65 130.641 103.742 26.899 1
1 297 . 3 1 1 A 32 32 LYS H H 66 7.501 7.625 -0.124 1
1 298 . 3 1 1 A 32 32 LYS HA H 66 5.400 5.510 -0.110 1
1 307 . 3 1 1 A 32 32 LYS CA C 66 54.040 54.334 -0.294 1
1 308 . 3 1 1 A 32 32 LYS CB C 66 36.540 36.301 0.239 1
1 312 . 3 1 1 A 32 32 LYS N N 66 118.738 119.828 -1.090 1
1 313 . 3 1 1 A 33 33 ILE H H 67 9.230 9.284 -0.054 1
1 314 . 3 1 1 A 33 33 ILE HA H 67 5.010 4.986 0.024 1
1 324 . 3 1 1 A 33 33 ILE CA C 67 57.690 59.153 -1.463 1
1 325 . 3 1 1 A 33 33 ILE CB C 67 40.190 41.193 -1.003 1
1 329 . 3 1 1 A 33 33 ILE N N 67 118.166 118.608 -0.442 1
1 330 . 3 1 1 A 34 34 THR H H 68 8.262 8.363 -0.101 1
1 331 . 3 1 1 A 34 34 THR HA H 68 4.530 4.754 -0.224 1
1 337 . 3 1 1 A 34 34 THR CA C 68 59.100 60.221 -1.121 1
1 338 . 3 1 1 A 34 34 THR CB C 68 70.000 71.392 -1.392 1
1 340 . 3 1 1 A 34 34 THR N N 68 111.971 114.260 -2.289 1
1 341 . 3 1 1 A 35 35 GLY H H 69 9.000 8.906 0.094 1
1 342 . 3 1 1 A 35 35 GLY HA2 H 69 3.540 3.695 -0.155 1
1 343 . 3 1 1 A 35 35 GLY HA3 H 69 3.830 3.970 -0.140 1
1 344 . 3 1 1 A 35 35 GLY CA C 69 47.480 46.896 0.584 1
1 345 . 3 1 1 A 35 35 GLY N N 69 110.304 109.176 1.128 1
1 346 . 3 1 1 A 36 36 ALA H H 70 8.336 8.015 0.321 1
1 347 . 3 1 1 A 36 36 ALA HA H 70 3.880 3.980 -0.100 1
1 351 . 3 1 1 A 36 36 ALA CA C 70 54.040 54.719 -0.679 1
1 352 . 3 1 1 A 36 36 ALA CB C 70 17.570 18.695 -1.125 1
1 353 . 3 1 1 A 36 36 ALA N N 70 123.822 124.705 -0.883 1
1 354 . 3 1 1 A 37 37 ASN H H 71 7.560 8.111 -0.551 1
1 355 . 3 1 1 A 37 37 ASN HA H 71 4.680 4.559 0.121 1
1 360 . 3 1 1 A 37 37 ASN CA C 71 54.040 55.693 -1.653 1
1 361 . 3 1 1 A 37 37 ASN CB C 71 36.500 37.934 -1.434 1
1 362 . 3 1 1 A 37 37 ASN N N 71 118.643 117.300 1.343 1
1 364 . 3 1 1 A 38 38 ALA H H 72 8.810 7.917 0.893 1
1 365 . 3 1 1 A 38 38 ALA HA H 72 4.100 4.306 -0.206 1
1 369 . 3 1 1 A 38 38 ALA CA C 72 54.770 55.200 -0.430 1
1 370 . 3 1 1 A 38 38 ALA CB C 72 18.240 19.071 -0.831 1
1 371 . 3 1 1 A 38 38 ALA N N 72 123.731 122.371 1.360 1
1 372 . 3 1 1 A 39 39 LYS H H 73 8.837 8.023 0.814 1
1 373 . 3 1 1 A 39 39 LYS HA H 73 3.940 4.007 -0.067 1
1 382 . 3 1 1 A 39 39 LYS CA C 73 59.130 59.719 -0.589 1
1 383 . 3 1 1 A 39 39 LYS CB C 73 31.430 32.260 -0.830 1
1 387 . 3 1 1 A 39 39 LYS N N 73 120.046 118.401 1.645 1
1 388 . 3 1 1 A 40 40 LYS H H 74 7.319 7.629 -0.310 1
1 389 . 3 1 1 A 40 40 LYS HA H 74 3.990 4.002 -0.012 1
1 398 . 3 1 1 A 40 40 LYS CA C 74 58.470 60.075 -1.605 1
1 399 . 3 1 1 A 40 40 LYS CB C 74 31.430 32.153 -0.723 1
1 403 . 3 1 1 A 40 40 LYS N N 74 118.778 118.208 0.570 1
1 404 . 3 1 1 A 41 41 GLU H H 75 7.111 8.126 -1.015 1
1 405 . 3 1 1 A 41 41 GLU HA H 75 4.420 4.122 0.298 1
1 410 . 3 1 1 A 41 41 GLU CA C 75 56.200 59.528 -3.328 1
1 411 . 3 1 1 A 41 41 GLU CB C 75 29.240 29.497 -0.257 1
1 413 . 3 1 1 A 41 41 GLU N N 75 117.703 119.930 -2.227 1
1 414 . 3 1 1 A 42 42 MET H H 76 8.603 8.301 0.302 1
1 415 . 3 1 1 A 42 42 MET HA H 76 4.010 4.174 -0.164 1
1 423 . 3 1 1 A 42 42 MET CA C 76 59.100 58.926 0.174 1
1 424 . 3 1 1 A 42 42 MET CB C 76 33.620 32.046 1.574 1
1 427 . 3 1 1 A 42 42 MET N N 76 121.344 118.954 2.390 1
1 428 . 3 1 1 A 43 43 VAL H H 77 8.661 8.432 0.229 1
1 429 . 3 1 1 A 43 43 VAL HA H 77 4.063 3.564 0.499 1
1 437 . 3 1 1 A 43 43 VAL CA C 77 63.530 67.168 -3.638 1
1 438 . 3 1 1 A 43 43 VAL CB C 77 30.700 31.486 -0.786 1
1 441 . 3 1 1 A 43 43 VAL N N 77 117.339 119.553 -2.214 1
1 442 . 3 1 1 A 44 44 LYS H H 78 7.464 7.884 -0.420 1
1 443 . 3 1 1 A 44 44 LYS HA H 78 4.110 4.176 -0.066 1
1 452 . 3 1 1 A 44 44 LYS CA C 78 58.400 59.288 -0.888 1
1 453 . 3 1 1 A 44 44 LYS CB C 78 31.430 31.786 -0.356 1
1 457 . 3 1 1 A 44 44 LYS N N 78 124.308 120.121 4.187 1
1 458 . 3 1 1 A 45 45 SER H H 79 7.534 7.808 -0.274 1
1 459 . 3 1 1 A 45 45 SER HA H 79 4.071 4.322 -0.251 1
1 462 . 3 1 1 A 45 45 SER CA C 79 59.880 59.382 0.498 1
1 463 . 3 1 1 A 45 45 SER CB C 79 65.000 64.305 0.695 1
1 464 . 3 1 1 A 45 45 SER N N 79 114.575 111.608 2.967 1
1 465 . 3 1 1 A 46 46 LYS H H 80 7.822 7.823 -0.001 1
1 466 . 3 1 1 A 46 46 LYS HA H 80 3.930 3.946 -0.016 1
1 475 . 3 1 1 A 46 46 LYS CA C 80 57.000 57.779 -0.779 1
1 476 . 3 1 1 A 46 46 LYS CB C 80 28.510 29.299 -0.789 1
1 480 . 3 1 1 A 46 46 LYS N N 80 114.855 115.889 -1.034 1
1 481 . 3 1 1 A 47 47 LEU H H 81 7.505 7.444 0.061 1
1 482 . 3 1 1 A 47 47 LEU HA H 81 4.470 4.415 0.055 1
1 492 . 3 1 1 A 47 47 LEU CA C 81 52.600 53.004 -0.404 1
1 493 . 3 1 1 A 47 47 LEU CB C 81 40.920 41.540 -0.620 1
1 497 . 3 1 1 A 47 47 LEU N N 81 122.848 120.253 2.595 1
1 498 . 3 1 1 A 48 48 PRO HA H 82 4.510 4.568 -0.058 1
1 505 . 3 1 1 A 48 48 PRO CA C 82 61.340 62.818 -1.478 1
1 506 . 3 1 1 A 48 48 PRO CB C 82 32.100 32.766 -0.666 1
1 509 . 3 1 1 A 49 49 ASN H H 83 7.580 8.660 -1.080 1
1 510 . 3 1 1 A 49 49 ASN HA H 83 4.240 4.398 -0.158 1
1 515 . 3 1 1 A 49 49 ASN CA C 83 56.200 56.480 -0.280 1
1 516 . 3 1 1 A 49 49 ASN CB C 83 37.270 38.148 -0.878 1
1 518 . 3 1 1 A 50 50 THR H H 84 7.010 8.075 -1.065 1
1 519 . 3 1 1 A 50 50 THR HA H 84 4.030 3.808 0.222 1
1 524 . 3 1 1 A 50 50 THR CA C 84 63.500 67.256 -3.756 1
1 525 . 3 1 1 A 50 50 THR CB C 84 67.170 68.589 -1.419 1
1 527 . 3 1 1 A 51 51 VAL H H 85 6.887 8.241 -1.354 1
1 528 . 3 1 1 A 51 51 VAL HA H 85 3.650 3.718 -0.068 1
1 536 . 3 1 1 A 51 51 VAL CA C 85 64.200 66.902 -2.702 1
1 537 . 3 1 1 A 51 51 VAL CB C 85 30.700 31.603 -0.903 1
1 540 . 3 1 1 A 51 51 VAL N N 85 125.031 122.210 2.821 1
1 541 . 3 1 1 A 52 52 LEU H H 86 8.043 8.202 -0.159 1
1 542 . 3 1 1 A 52 52 LEU HA H 86 3.730 4.047 -0.317 1
1 552 . 3 1 1 A 52 52 LEU CA C 86 56.960 58.108 -1.148 1
1 553 . 3 1 1 A 52 52 LEU CB C 86 39.430 41.809 -2.379 1
1 557 . 3 1 1 A 52 52 LEU N N 86 121.307 120.173 1.134 1
1 558 . 3 1 1 A 53 53 GLY H H 87 8.420 8.379 0.041 1
1 559 . 3 1 1 A 53 53 GLY HA2 H 87 3.890 3.677 0.213 1
1 560 . 3 1 1 A 53 53 GLY HA3 H 87 3.980 3.712 0.268 1
1 561 . 3 1 1 A 53 53 GLY CA C 87 46.020 47.329 -1.309 1
1 562 . 3 1 1 A 53 53 GLY N N 87 108.274 107.038 1.236 1
1 563 . 3 1 1 A 54 54 LYS H H 88 7.327 7.953 -0.626 1
1 564 . 3 1 1 A 54 54 LYS HA H 88 4.130 4.016 0.114 1
1 573 . 3 1 1 A 54 54 LYS CA C 88 58.420 59.458 -1.038 1
1 574 . 3 1 1 A 54 54 LYS CB C 88 31.430 32.350 -0.920 1
1 578 . 3 1 1 A 54 54 LYS N N 88 125.389 122.092 3.297 1
1 579 . 3 1 1 A 55 55 ILE H H 89 8.075 8.368 -0.293 1
1 580 . 3 1 1 A 55 55 ILE HA H 89 3.470 3.625 -0.155 1
1 590 . 3 1 1 A 55 55 ILE CA C 89 65.720 65.612 0.108 1
1 591 . 3 1 1 A 55 55 ILE CB C 89 36.540 37.767 -1.227 1
1 595 . 3 1 1 A 55 55 ILE N N 89 122.261 120.061 2.200 1
1 596 . 3 1 1 A 56 56 TRP H H 90 8.706 8.723 -0.017 1
1 597 . 3 1 1 A 56 56 TRP HA H 90 3.810 4.190 -0.380 1
1 606 . 3 1 1 A 56 56 TRP CA C 90 60.610 60.484 0.126 1
1 607 . 3 1 1 A 56 56 TRP CB C 90 27.790 29.920 -2.130 1
1 613 . 3 1 1 A 56 56 TRP N N 90 121.947 121.474 0.473 1
1 615 . 3 1 1 A 57 57 LYS H H 91 7.581 8.076 -0.495 1
1 616 . 3 1 1 A 57 57 LYS HA H 91 3.960 4.146 -0.186 1
1 625 . 3 1 1 A 57 57 LYS CA C 91 58.420 58.845 -0.425 1
1 626 . 3 1 1 A 57 57 LYS CB C 91 31.430 32.037 -0.607 1
1 630 . 3 1 1 A 57 57 LYS N N 91 116.801 119.979 -3.178 1
1 631 . 3 1 1 A 58 58 LEU H H 92 7.571 7.464 0.107 1
1 632 . 3 1 1 A 58 58 LEU HA H 92 3.990 4.240 -0.250 1
1 642 . 3 1 1 A 58 58 LEU CA C 92 56.200 56.629 -0.429 1
1 643 . 3 1 1 A 58 58 LEU CB C 92 43.100 42.154 0.946 1
1 647 . 3 1 1 A 58 58 LEU N N 92 119.520 119.085 0.435 1
1 648 . 3 1 1 A 59 59 ALA H H 93 8.135 7.730 0.405 1
1 649 . 3 1 1 A 59 59 ALA HA H 93 4.120 4.228 -0.108 1
1 653 . 3 1 1 A 59 59 ALA CA C 93 52.590 54.455 -1.865 1
1 654 . 3 1 1 A 59 59 ALA CB C 93 18.300 18.711 -0.411 1
1 655 . 3 1 1 A 59 59 ALA N N 93 120.126 119.960 0.166 1
1 656 . 3 1 1 A 60 60 ASP H H 94 7.530 8.014 -0.484 1
1 657 . 3 1 1 A 60 60 ASP HA H 94 4.540 4.327 0.213 1
1 660 . 3 1 1 A 60 60 ASP CA C 94 51.100 53.606 -2.506 1
1 661 . 3 1 1 A 60 60 ASP CB C 94 35.840 39.974 -4.134 1
1 662 . 3 1 1 A 60 60 ASP N N 94 115.380 117.181 -1.801 1
1 663 . 3 1 1 A 61 61 VAL H H 95 8.340 7.929 0.411 1
1 664 . 3 1 1 A 61 61 VAL HA H 95 3.500 3.687 -0.187 1
1 672 . 3 1 1 A 61 61 VAL CA C 95 65.000 66.272 -1.272 1
1 673 . 3 1 1 A 61 61 VAL CB C 95 31.430 31.743 -0.313 1
1 676 . 3 1 1 A 61 61 VAL N N 95 129.560 124.367 5.193 1
1 677 . 3 1 1 A 62 62 ASP H H 96 7.927 7.648 0.279 1
1 678 . 3 1 1 A 62 62 ASP HA H 96 4.530 4.569 -0.039 1
1 681 . 3 1 1 A 62 62 ASP CA C 96 51.800 53.562 -1.762 1
1 682 . 3 1 1 A 62 62 ASP CB C 96 38.700 40.469 -1.769 1
1 683 . 3 1 1 A 62 62 ASP N N 96 115.789 117.287 -1.498 1
1 684 . 3 1 1 A 63 63 LYS H H 97 7.551 7.791 -0.240 1
1 685 . 3 1 1 A 63 63 LYS HA H 97 3.860 4.309 -0.449 1
1 694 . 3 1 1 A 63 63 LYS CA C 97 56.960 57.150 -0.190 1
1 695 . 3 1 1 A 63 63 LYS CB C 97 28.520 30.147 -1.627 1
1 699 . 3 1 1 A 63 63 LYS N N 97 115.740 115.424 0.316 1
1 700 . 3 1 1 A 64 64 ASP H H 98 8.363 8.218 0.145 1
1 701 . 3 1 1 A 64 64 ASP HA H 98 4.660 4.781 -0.121 1
1 704 . 3 1 1 A 64 64 ASP CA C 98 52.600 53.050 -0.450 1
1 705 . 3 1 1 A 64 64 ASP CB C 98 40.190 41.223 -1.033 1
1 706 . 3 1 1 A 64 64 ASP N N 98 120.463 118.327 2.136 1
1 707 . 3 1 1 A 65 65 GLY H H 99 10.641 8.621 2.020 1
1 708 . 3 1 1 A 65 65 GLY HA2 H 99 3.850 4.039 -0.189 1
1 709 . 3 1 1 A 65 65 GLY HA3 H 99 4.322 4.297 0.025 1
1 710 . 3 1 1 A 65 65 GLY CA C 99 44.800 45.975 -1.175 1
1 711 . 3 1 1 A 65 65 GLY N N 99 115.730 110.976 4.754 1
1 712 . 3 1 1 A 66 66 LEU H H 100 8.157 7.966 0.191 1
1 713 . 3 1 1 A 66 66 LEU HA H 100 5.120 5.092 0.028 1
1 723 . 3 1 1 A 66 66 LEU CA C 100 52.600 53.122 -0.522 1
1 724 . 3 1 1 A 66 66 LEU CB C 100 44.600 44.984 -0.384 1
1 728 . 3 1 1 A 66 66 LEU N N 100 123.435 122.131 1.304 1
1 729 . 3 1 1 A 67 67 LEU H H 101 8.687 9.131 -0.444 1
1 730 . 3 1 1 A 67 67 LEU HA H 101 5.800 4.892 0.908 1
1 740 . 3 1 1 A 67 67 LEU CA C 101 51.860 53.579 -1.719 1
1 741 . 3 1 1 A 67 67 LEU CB C 101 42.370 43.219 -0.849 1
1 745 . 3 1 1 A 67 67 LEU N N 101 121.109 123.024 -1.915 1
1 746 . 3 1 1 A 68 68 ASP H H 102 9.229 8.923 0.306 1
1 747 . 3 1 1 A 68 68 ASP HA H 102 5.610 5.029 0.581 1
1 750 . 3 1 1 A 68 68 ASP CA C 102 51.130 54.060 -2.930 1
1 751 . 3 1 1 A 68 68 ASP CB C 102 40.190 41.971 -1.781 1
1 752 . 3 1 1 A 68 68 ASP N N 102 124.386 124.509 -0.123 1
1 753 . 3 1 1 A 69 69 ASP H H 103 8.529 8.529 0.000 1
1 754 . 3 1 1 A 69 69 ASP HA H 103 2.830 3.243 -0.413 1
1 757 . 3 1 1 A 69 69 ASP CA C 103 56.230 58.316 -2.086 1
1 758 . 3 1 1 A 69 69 ASP CB C 103 37.238 41.306 -4.068 1
1 759 . 3 1 1 A 69 69 ASP N N 103 117.423 123.065 -5.642 1
1 760 . 3 1 1 A 70 70 GLU H H 104 7.991 7.972 0.019 1
1 761 . 3 1 1 A 70 70 GLU HA H 104 4.061 4.249 -0.188 1
1 766 . 3 1 1 A 70 70 GLU CA C 104 59.130 59.494 -0.364 1
1 767 . 3 1 1 A 70 70 GLU CB C 104 29.134 29.081 0.053 1
1 769 . 3 1 1 A 70 70 GLU N N 104 124.895 118.619 6.276 1
1 770 . 3 1 1 A 71 71 GLU H H 105 8.742 8.212 0.530 1
1 771 . 3 1 1 A 71 71 GLU HA H 105 4.000 4.150 -0.150 1
1 776 . 3 1 1 A 71 71 GLU CA C 105 59.150 58.899 0.251 1
1 777 . 3 1 1 A 71 71 GLU CB C 105 30.700 29.565 1.135 1
1 779 . 3 1 1 A 71 71 GLU N N 105 123.465 119.563 3.902 1
1 780 . 3 1 1 A 72 72 PHE H H 106 9.426 8.748 0.678 1
1 781 . 3 1 1 A 72 72 PHE HA H 106 4.230 4.119 0.111 1
1 789 . 3 1 1 A 72 72 PHE CA C 106 59.900 61.740 -1.840 1
1 790 . 3 1 1 A 72 72 PHE CB C 106 38.730 39.171 -0.441 1
1 796 . 3 1 1 A 72 72 PHE N N 106 120.806 122.201 -1.395 1
1 797 . 3 1 1 A 73 73 ALA H H 107 8.085 8.261 -0.176 1
1 798 . 3 1 1 A 73 73 ALA HA H 107 3.770 3.763 0.007 1
1 802 . 3 1 1 A 73 73 ALA CA C 107 54.040 55.128 -1.088 1
1 803 . 3 1 1 A 73 73 ALA CB C 107 16.870 18.086 -1.216 1
1 804 . 3 1 1 A 73 73 ALA N N 107 126.845 121.184 5.661 1
1 805 . 3 1 1 A 74 74 LEU H H 108 8.431 8.114 0.317 1
1 806 . 3 1 1 A 74 74 LEU HA H 108 4.050 3.985 0.065 1
1 816 . 3 1 1 A 74 74 LEU CA C 108 56.960 57.380 -0.420 1
1 817 . 3 1 1 A 74 74 LEU CB C 108 41.600 41.638 -0.038 1
1 821 . 3 1 1 A 74 74 LEU N N 108 121.250 120.734 0.516 1
1 822 . 3 1 1 A 75 75 ALA H H 109 8.651 8.280 0.371 1
1 823 . 3 1 1 A 75 75 ALA HA H 109 3.657 3.952 -0.295 1
1 827 . 3 1 1 A 75 75 ALA CA C 109 54.770 55.444 -0.674 1
1 828 . 3 1 1 A 75 75 ALA CB C 109 16.110 18.266 -2.156 1
1 829 . 3 1 1 A 75 75 ALA N N 109 122.981 121.054 1.927 1
1 830 . 3 1 1 A 76 76 ASN H H 110 7.240 8.079 -0.839 1
1 831 . 3 1 1 A 76 76 ASN HA H 110 3.790 4.117 -0.327 1
1 836 . 3 1 1 A 76 76 ASN CA C 110 55.540 55.880 -0.340 1
1 837 . 3 1 1 A 76 76 ASN CB C 110 37.200 37.095 0.105 1
1 838 . 3 1 1 A 76 76 ASN N N 110 115.681 116.616 -0.935 1
1 840 . 3 1 1 A 77 77 HIS H H 111 8.345 7.866 0.479 1
1 841 . 3 1 1 A 77 77 HIS HA H 111 4.094 4.164 -0.070 1
1 846 . 3 1 1 A 77 77 HIS CA C 111 59.150 59.300 -0.150 1
1 847 . 3 1 1 A 77 77 HIS CB C 111 30.700 29.734 0.966 1
1 850 . 3 1 1 A 77 77 HIS N N 111 124.686 120.823 3.863 1
1 851 . 3 1 1 A 78 78 LEU H H 112 8.290 8.149 0.141 1
1 852 . 3 1 1 A 78 78 LEU HA H 112 3.810 3.906 -0.096 1
1 862 . 3 1 1 A 78 78 LEU CA C 112 56.200 57.880 -1.680 1
1 863 . 3 1 1 A 78 78 LEU CB C 112 41.600 41.425 0.175 1
1 867 . 3 1 1 A 78 78 LEU N N 112 119.085 119.469 -0.384 1
1 868 . 3 1 1 A 79 79 ILE H H 113 7.792 8.202 -0.410 1
1 869 . 3 1 1 A 79 79 ILE HA H 113 3.290 3.479 -0.189 1
1 879 . 3 1 1 A 79 79 ILE CA C 113 65.000 65.572 -0.572 1
1 880 . 3 1 1 A 79 79 ILE CB C 113 37.200 37.809 -0.609 1
1 884 . 3 1 1 A 79 79 ILE N N 113 121.304 119.782 1.522 1
1 885 . 3 1 1 A 80 80 LYS H H 114 7.546 7.753 -0.207 1
1 886 . 3 1 1 A 80 80 LYS HA H 114 3.820 3.943 -0.123 1
1 895 . 3 1 1 A 80 80 LYS CA C 114 59.100 59.240 -0.140 1
1 896 . 3 1 1 A 80 80 LYS CB C 114 30.700 32.282 -1.582 1
1 900 . 3 1 1 A 80 80 LYS N N 114 122.150 119.613 2.537 1
1 901 . 3 1 1 A 81 81 VAL H H 115 8.110 7.941 0.169 1
1 902 . 3 1 1 A 81 81 VAL HA H 115 3.740 3.662 0.078 1
1 910 . 3 1 1 A 81 81 VAL CA C 115 64.900 66.751 -1.851 1
1 911 . 3 1 1 A 81 81 VAL CB C 115 30.720 31.330 -0.610 1
1 914 . 3 1 1 A 81 81 VAL N N 115 118.999 120.175 -1.176 1
1 915 . 3 1 1 A 82 82 LYS H H 116 7.853 7.806 0.047 1
1 916 . 3 1 1 A 82 82 LYS HA H 116 4.540 3.992 0.548 1
1 925 . 3 1 1 A 82 82 LYS CA C 116 56.230 59.637 -3.407 1
1 926 . 3 1 1 A 82 82 LYS CB C 116 30.700 31.935 -1.235 1
1 930 . 3 1 1 A 82 82 LYS N N 116 123.030 118.890 4.140 1
1 931 . 3 1 1 A 83 83 LEU H H 117 8.959 8.331 0.628 1
1 932 . 3 1 1 A 83 83 LEU HA H 117 4.080 4.057 0.023 1
1 942 . 3 1 1 A 83 83 LEU CA C 117 56.900 57.389 -0.489 1
1 943 . 3 1 1 A 83 83 LEU CB C 117 40.920 41.009 -0.089 1
1 947 . 3 1 1 A 83 83 LEU N N 117 125.378 120.254 5.124 1
1 948 . 3 1 1 A 84 84 GLU H H 118 7.817 8.085 -0.268 1
1 949 . 3 1 1 A 84 84 GLU HA H 118 4.150 4.193 -0.043 1
1 954 . 3 1 1 A 84 84 GLU CA C 118 56.200 56.592 -0.392 1
1 955 . 3 1 1 A 84 84 GLU CB C 118 29.200 29.876 -0.676 1
1 957 . 3 1 1 A 84 84 GLU N N 118 119.766 116.986 2.780 1
1 958 . 3 1 1 A 85 85 GLY H H 119 7.862 7.748 0.114 1
1 959 . 3 1 1 A 85 85 GLY HA2 H 119 3.640 3.735 -0.095 1
1 960 . 3 1 1 A 85 85 GLY HA3 H 119 4.140 3.819 0.321 1
1 961 . 3 1 1 A 85 85 GLY CA C 119 43.800 45.897 -2.097 1
1 962 . 3 1 1 A 85 85 GLY N N 119 107.902 108.450 -0.548 1
1 963 . 3 1 1 A 86 86 HIS H H 120 7.714 7.832 -0.118 1
1 964 . 3 1 1 A 86 86 HIS HA H 120 4.680 5.043 -0.363 1
1 969 . 3 1 1 A 86 86 HIS CA C 120 54.000 54.787 -0.787 1
1 970 . 3 1 1 A 86 86 HIS CB C 120 30.000 33.877 -3.877 1
1 972 . 3 1 1 A 86 86 HIS N N 120 122.124 116.591 5.533 1
1 973 . 3 1 1 A 87 87 GLU H H 121 8.491 8.864 -0.373 1
1 974 . 3 1 1 A 87 87 GLU HA H 121 4.300 5.103 -0.803 1
1 979 . 3 1 1 A 87 87 GLU CA C 121 54.040 54.993 -0.953 1
1 980 . 3 1 1 A 87 87 GLU CB C 121 29.240 32.853 -3.613 1
1 982 . 3 1 1 A 87 87 GLU N N 121 121.826 119.975 1.851 1
1 983 . 3 1 1 A 88 88 LEU H H 122 8.672 8.625 0.047 1
1 984 . 3 1 1 A 88 88 LEU HA H 122 4.410 4.959 -0.549 1
1 994 . 3 1 1 A 88 88 LEU CA C 122 51.130 50.916 0.214 1
1 995 . 3 1 1 A 88 88 LEU CB C 122 40.200 44.165 -3.965 1
1 999 . 3 1 1 A 88 88 LEU N N 122 125.316 117.823 7.493 1
1 1000 . 3 1 1 A 89 89 PRO HA H 123 4.560 4.451 0.109 1
1 1007 . 3 1 1 A 89 89 PRO CA C 123 61.340 63.753 -2.413 1
1 1008 . 3 1 1 A 89 89 PRO CB C 123 30.700 32.017 -1.317 1
1 1011 . 3 1 1 A 90 90 ALA H H 124 8.464 8.007 0.457 1
1 1012 . 3 1 1 A 90 90 ALA HA H 124 4.063 3.997 0.066 1
1 1016 . 3 1 1 A 90 90 ALA CA C 124 53.320 53.669 -0.349 1
1 1017 . 3 1 1 A 90 90 ALA CB C 124 18.300 18.108 0.192 1
1 1018 . 3 1 1 A 90 90 ALA N N 124 123.603 120.170 3.433 1
1 1019 . 3 1 1 A 91 91 ASP H H 125 7.482 7.700 -0.218 1
1 1020 . 3 1 1 A 91 91 ASP HA H 125 4.640 5.202 -0.562 1
1 1023 . 3 1 1 A 91 91 ASP CA C 125 50.430 53.035 -2.605 1
1 1024 . 3 1 1 A 91 91 ASP CB C 125 43.100 44.304 -1.204 1
1 1025 . 3 1 1 A 91 91 ASP N N 125 115.317 116.883 -1.566 1
1 1026 . 3 1 1 A 92 92 LEU H H 126 8.883 9.068 -0.185 1
1 1027 . 3 1 1 A 92 92 LEU HA H 126 4.189 4.792 -0.603 1
1 1037 . 3 1 1 A 92 92 LEU CA C 126 52.500 51.221 1.279 1
1 1038 . 3 1 1 A 92 92 LEU CB C 126 41.600 43.099 -1.499 1
1 1042 . 3 1 1 A 92 92 LEU N N 126 125.329 122.447 2.882 1
1 1043 . 3 1 1 A 93 93 PRO HA H 127 4.860 4.592 0.268 1
1 1050 . 3 1 1 A 93 93 PRO CA C 127 59.800 61.883 -2.083 1
1 1051 . 3 1 1 A 93 93 PRO CB C 127 29.970 32.492 -2.522 1
1 1054 . 3 1 1 A 94 94 PRO HA H 128 4.210 4.417 -0.207 1
1 1061 . 3 1 1 A 94 94 PRO CA C 128 65.000 64.390 0.610 1
1 1062 . 3 1 1 A 94 94 PRO CB C 128 31.430 31.540 -0.110 1
1 1065 . 3 1 1 A 95 95 HIS H H 129 7.922 8.139 -0.217 1
1 1066 . 3 1 1 A 95 95 HIS HA H 129 4.640 4.701 -0.061 1
1 1071 . 3 1 1 A 95 95 HIS CA C 129 56.900 55.484 1.416 1
1 1072 . 3 1 1 A 95 95 HIS CB C 129 28.550 31.086 -2.536 1
1 1075 . 3 1 1 A 95 95 HIS N N 129 112.757 114.743 -1.986 1
1 1076 . 3 1 1 A 96 96 LEU H H 130 7.717 7.629 0.088 1
1 1077 . 3 1 1 A 96 96 LEU HA H 130 4.640 4.445 0.195 1
1 1087 . 3 1 1 A 96 96 LEU CA C 130 53.300 54.181 -0.881 1
1 1088 . 3 1 1 A 96 96 LEU CB C 130 42.370 42.293 0.077 1
1 1092 . 3 1 1 A 96 96 LEU N N 130 121.128 118.954 2.174 1
1 1093 . 3 1 1 A 97 97 VAL H H 131 7.184 7.421 -0.237 1
1 1094 . 3 1 1 A 97 97 VAL HA H 131 3.730 4.300 -0.570 1
1 1102 . 3 1 1 A 97 97 VAL CA C 131 60.640 60.480 0.160 1
1 1103 . 3 1 1 A 97 97 VAL CB C 131 31.420 31.681 -0.261 1
1 1106 . 3 1 1 A 97 97 VAL N N 131 125.572 118.442 7.130 1
1 1107 . 3 1 1 A 98 98 PRO HA H 132 2.680 2.867 -0.187 1
1 1114 . 3 1 1 A 98 98 PRO CA C 132 59.880 61.218 -1.338 1
1 1115 . 3 1 1 A 98 98 PRO CB C 132 30.700 32.046 -1.346 1
1 1118 . 3 1 1 A 99 99 PRO HA H 133 3.600 4.007 -0.407 1
1 1125 . 3 1 1 A 99 99 PRO CA C 133 64.990 65.122 -0.132 1
1 1126 . 3 1 1 A 99 99 PRO CB C 133 31.400 31.788 -0.388 1
1 1129 . 3 1 1 A 100 100 SER H H 134 9.200 8.014 1.186 1
1 1130 . 3 1 1 A 100 100 SER HA H 134 4.150 4.300 -0.150 1
1 1133 . 3 1 1 A 100 100 SER CA C 134 59.880 59.468 0.412 1
1 1134 . 3 1 1 A 100 100 SER CB C 134 61.340 63.139 -1.799 1
1 1135 . 3 1 1 A 100 100 SER N N 134 115.005 111.241 3.764 1
1 1136 . 3 1 1 A 101 101 LYS H H 135 7.867 7.836 0.031 1
1 1137 . 3 1 1 A 101 101 LYS HA H 135 4.447 4.354 0.093 1
1 1146 . 3 1 1 A 101 101 LYS CA C 135 52.600 55.840 -3.240 1
1 1147 . 3 1 1 A 101 101 LYS CB C 135 30.700 33.642 -2.942 1
1 1151 . 3 1 1 A 101 101 LYS N N 135 121.053 119.661 1.392 1
1 1152 . 3 1 1 A 102 102 ARG H H 136 7.077 7.442 -0.365 1
1 1153 . 3 1 1 A 102 102 ARG HA H 136 4.100 4.463 -0.363 1
1 1164 . 3 1 1 A 102 102 ARG CA C 136 55.500 56.175 -0.675 1
1 1165 . 3 1 1 A 102 102 ARG CB C 136 30.000 30.528 -0.528 1
1 1168 . 3 1 1 A 102 102 ARG N N 136 121.939 118.140 3.799 1
1 1169 . 3 1 1 A 103 103 ARG H H 137 8.289 8.627 -0.338 1
1 1170 . 3 1 1 A 103 103 ARG HA H 137 4.290 4.612 -0.322 1
1 1181 . 3 1 1 A 103 103 ARG CA C 137 54.770 55.545 -0.775 1
1 1182 . 3 1 1 A 103 103 ARG CB C 137 30.000 30.826 -0.826 1
1 1185 . 3 1 1 A 103 103 ARG N N 137 123.504 124.107 -0.603 1
1 1186 . 3 1 1 A 104 104 HIS H H 138 8.370 9.000 -0.630 1
1 1187 . 3 1 1 A 104 104 HIS HA H 138 4.660 4.883 -0.223 1
1 1192 . 3 1 1 A 104 104 HIS CA C 138 54.040 55.317 -1.277 1
1 1193 . 3 1 1 A 104 104 HIS CB C 138 29.240 31.610 -2.370 1
1 1 . 4 1 1 A 7 7 ASP H H 41 8.479 8.433 0.046 1
1 2 . 4 1 1 A 7 7 ASP HA H 41 4.595 5.327 -0.732 1
1 5 . 4 1 1 A 7 7 ASP CA C 41 52.900 52.890 0.010 1
1 6 . 4 1 1 A 7 7 ASP CB C 41 39.760 44.032 -4.272 1
1 7 . 4 1 1 A 7 7 ASP N N 41 124.447 124.059 0.388 1
1 8 . 4 1 1 A 8 8 VAL H H 42 7.916 9.039 -1.123 1
1 9 . 4 1 1 A 8 8 VAL HA H 42 4.140 4.862 -0.722 1
1 17 . 4 1 1 A 8 8 VAL CA C 42 60.610 60.403 0.207 1
1 18 . 4 1 1 A 8 8 VAL CB C 42 32.160 34.269 -2.109 1
1 21 . 4 1 1 A 8 8 VAL N N 42 120.853 118.166 2.687 1
1 22 . 4 1 1 A 9 9 GLU H H 43 8.476 8.624 -0.148 1
1 23 . 4 1 1 A 9 9 GLU HA H 43 4.290 4.472 -0.182 1
1 28 . 4 1 1 A 9 9 GLU CA C 43 55.500 56.319 -0.819 1
1 29 . 4 1 1 A 9 9 GLU CB C 43 29.400 29.929 -0.529 1
1 31 . 4 1 1 A 9 9 GLU N N 43 127.650 124.487 3.163 1
1 32 . 4 1 1 A 10 10 TRP H H 44 8.839 8.818 0.021 1
1 33 . 4 1 1 A 10 10 TRP HA H 44 5.220 4.795 0.425 1
1 42 . 4 1 1 A 10 10 TRP CA C 44 54.040 56.215 -2.175 1
1 43 . 4 1 1 A 10 10 TRP CB C 44 27.800 29.660 -1.860 1
1 49 . 4 1 1 A 10 10 TRP N N 44 126.378 127.536 -1.158 1
1 50 . 4 1 1 A 11 11 VAL H H 45 9.230 8.496 0.734 1
1 51 . 4 1 1 A 11 11 VAL HA H 45 3.891 3.814 0.077 1
1 59 . 4 1 1 A 11 11 VAL CA C 45 63.530 63.810 -0.280 1
1 60 . 4 1 1 A 11 11 VAL CB C 45 30.700 31.361 -0.661 1
1 63 . 4 1 1 A 11 11 VAL N N 45 131.353 125.488 5.865 1
1 64 . 4 1 1 A 12 12 VAL H H 46 5.000 6.982 -1.982 1
1 65 . 4 1 1 A 12 12 VAL HA H 46 3.033 2.923 0.110 1
1 73 . 4 1 1 A 12 12 VAL CA C 46 60.650 64.066 -3.416 1
1 74 . 4 1 1 A 12 12 VAL CB C 46 29.280 30.765 -1.485 1
1 77 . 4 1 1 A 13 13 GLY H H 47 7.330 8.377 -1.047 1
1 78 . 4 1 1 A 13 13 GLY HA2 H 47 3.580 3.857 -0.277 1
1 79 . 4 1 1 A 13 13 GLY HA3 H 47 4.180 3.940 0.240 1
1 80 . 4 1 1 A 13 13 GLY CA C 47 46.760 46.853 -0.093 1
1 81 . 4 1 1 A 14 14 LYS H H 48 7.570 8.742 -1.172 1
1 82 . 4 1 1 A 14 14 LYS HA H 48 4.065 4.066 -0.001 1
1 91 . 4 1 1 A 14 14 LYS CA C 48 57.700 58.792 -1.092 1
1 92 . 4 1 1 A 14 14 LYS CB C 48 30.700 31.477 -0.777 1
1 96 . 4 1 1 A 14 14 LYS N N 48 121.084 118.260 2.824 1
1 97 . 4 1 1 A 15 15 ASP H H 49 7.309 7.605 -0.296 1
1 98 . 4 1 1 A 15 15 ASP HA H 49 4.778 4.776 0.002 1
1 101 . 4 1 1 A 15 15 ASP CA C 49 52.880 53.358 -0.478 1
1 102 . 4 1 1 A 15 15 ASP CB C 49 42.300 41.341 0.959 1
1 103 . 4 1 1 A 15 15 ASP N N 49 118.181 119.135 -0.954 1
1 104 . 4 1 1 A 16 16 LYS H H 50 7.506 7.474 0.032 1
1 105 . 4 1 1 A 16 16 LYS HA H 50 4.061 3.984 0.077 1
1 114 . 4 1 1 A 16 16 LYS CA C 50 60.610 61.318 -0.708 1
1 115 . 4 1 1 A 16 16 LYS CB C 50 30.700 31.027 -0.327 1
1 119 . 4 1 1 A 16 16 LYS N N 50 123.633 120.020 3.613 1
1 120 . 4 1 1 A 17 17 PRO HA H 51 4.430 4.222 0.208 1
1 127 . 4 1 1 A 17 17 PRO CA C 51 65.720 66.306 -0.586 1
1 128 . 4 1 1 A 17 17 PRO CB C 51 29.970 30.622 -0.652 1
1 131 . 4 1 1 A 18 18 THR H H 52 7.280 7.506 -0.226 1
1 132 . 4 1 1 A 18 18 THR HA H 52 3.970 4.024 -0.054 1
1 137 . 4 1 1 A 18 18 THR CA C 52 64.990 65.192 -0.202 1
1 138 . 4 1 1 A 18 18 THR CB C 52 67.170 68.221 -1.051 1
1 140 . 4 1 1 A 18 18 THR N N 52 115.095 112.124 2.971 1
1 141 . 4 1 1 A 19 19 TYR H H 53 7.083 7.448 -0.365 1
1 142 . 4 1 1 A 19 19 TYR HA H 53 4.716 4.391 0.325 1
1 149 . 4 1 1 A 19 19 TYR CA C 53 57.400 61.979 -4.579 1
1 150 . 4 1 1 A 19 19 TYR CB C 53 35.800 37.439 -1.639 1
1 155 . 4 1 1 A 19 19 TYR N N 53 125.380 119.494 5.886 1
1 156 . 4 1 1 A 20 20 ASP H H 54 9.596 8.437 1.159 1
1 157 . 4 1 1 A 20 20 ASP HA H 54 4.492 4.068 0.424 1
1 160 . 4 1 1 A 20 20 ASP CA C 54 56.200 56.979 -0.779 1
1 161 . 4 1 1 A 20 20 ASP CB C 54 38.730 40.240 -1.510 1
1 162 . 4 1 1 A 20 20 ASP N N 54 124.548 121.026 3.522 1
1 163 . 4 1 1 A 21 21 GLU H H 55 7.309 7.930 -0.621 1
1 164 . 4 1 1 A 21 21 GLU HA H 55 4.140 4.035 0.105 1
1 169 . 4 1 1 A 21 21 GLU CA C 55 58.420 59.318 -0.898 1
1 170 . 4 1 1 A 21 21 GLU CB C 55 29.250 29.464 -0.214 1
1 172 . 4 1 1 A 21 21 GLU N N 55 118.181 119.232 -1.051 1
1 173 . 4 1 1 A 22 22 ILE H H 56 7.249 7.681 -0.432 1
1 174 . 4 1 1 A 22 22 ILE HA H 56 3.940 3.923 0.017 1
1 184 . 4 1 1 A 22 22 ILE CA C 56 62.870 64.777 -1.907 1
1 185 . 4 1 1 A 22 22 ILE CB C 56 38.000 37.720 0.280 1
1 189 . 4 1 1 A 22 22 ILE N N 56 118.978 120.328 -1.350 1
1 190 . 4 1 1 A 23 23 PHE H H 57 9.117 8.771 0.346 1
1 191 . 4 1 1 A 23 23 PHE HA H 57 3.090 3.827 -0.737 1
1 199 . 4 1 1 A 23 23 PHE CA C 57 61.300 61.441 -0.141 1
1 200 . 4 1 1 A 23 23 PHE CB C 57 38.730 39.227 -0.497 1
1 206 . 4 1 1 A 23 23 PHE N N 57 127.639 120.826 6.813 1
1 207 . 4 1 1 A 24 24 TYR H H 58 7.922 7.678 0.244 1
1 208 . 4 1 1 A 24 24 TYR HA H 58 3.990 4.344 -0.354 1
1 215 . 4 1 1 A 24 24 TYR CA C 58 60.610 61.098 -0.488 1
1 216 . 4 1 1 A 24 24 TYR CB C 58 36.540 38.229 -1.689 1
1 221 . 4 1 1 A 24 24 TYR N N 58 112.757 114.301 -1.544 1
1 222 . 4 1 1 A 25 25 THR H H 59 8.081 7.831 0.250 1
1 223 . 4 1 1 A 25 25 THR HA H 59 4.640 4.317 0.323 1
1 229 . 4 1 1 A 25 25 THR CA C 59 62.070 63.826 -1.756 1
1 230 . 4 1 1 A 25 25 THR CB C 59 68.630 69.258 -0.628 1
1 232 . 4 1 1 A 25 25 THR N N 59 112.676 113.067 -0.391 1
1 233 . 4 1 1 A 26 26 LEU H H 60 7.373 7.166 0.207 1
1 234 . 4 1 1 A 26 26 LEU HA H 60 4.460 4.303 0.157 1
1 244 . 4 1 1 A 26 26 LEU CA C 60 52.600 54.116 -1.516 1
1 245 . 4 1 1 A 26 26 LEU CB C 60 39.400 41.571 -2.171 1
1 249 . 4 1 1 A 26 26 LEU N N 60 125.808 120.310 5.498 1
1 250 . 4 1 1 A 27 27 SER H H 61 7.860 8.046 -0.186 1
1 251 . 4 1 1 A 27 27 SER HA H 61 3.980 4.107 -0.127 1
1 254 . 4 1 1 A 27 27 SER CA C 61 56.960 58.895 -1.935 1
1 255 . 4 1 1 A 27 27 SER CB C 61 60.640 60.694 -0.054 1
1 256 . 4 1 1 A 27 27 SER N N 61 111.582 113.593 -2.011 1
1 257 . 4 1 1 A 28 28 PRO HA H 62 4.190 4.592 -0.402 1
1 264 . 4 1 1 A 28 28 PRO CA C 62 62.070 62.228 -0.158 1
1 265 . 4 1 1 A 28 28 PRO CB C 62 29.970 31.688 -1.718 1
1 268 . 4 1 1 A 29 29 VAL H H 63 8.744 8.300 0.444 1
1 269 . 4 1 1 A 29 29 VAL HA H 63 4.180 4.256 -0.076 1
1 277 . 4 1 1 A 29 29 VAL CA C 63 60.640 61.397 -0.757 1
1 278 . 4 1 1 A 29 29 VAL CB C 63 33.620 32.081 1.539 1
1 281 . 4 1 1 A 29 29 VAL N N 63 124.299 118.413 5.886 1
1 282 . 4 1 1 A 30 30 ASN H H 64 9.713 9.517 0.196 1
1 283 . 4 1 1 A 30 30 ASN HA H 64 4.410 4.475 -0.065 1
1 288 . 4 1 1 A 30 30 ASN CA C 64 53.320 54.609 -1.289 1
1 289 . 4 1 1 A 30 30 ASN CB C 64 36.540 37.124 -0.584 1
1 290 . 4 1 1 A 30 30 ASN N N 64 129.729 121.431 8.298 1
1 292 . 4 1 1 A 31 31 GLY H H 65 8.862 8.751 0.111 1
1 293 . 4 1 1 A 31 31 GLY HA2 H 65 3.770 4.008 -0.238 1
1 294 . 4 1 1 A 31 31 GLY HA3 H 65 4.250 4.142 0.108 1
1 295 . 4 1 1 A 31 31 GLY CA C 65 44.560 45.802 -1.242 1
1 296 . 4 1 1 A 31 31 GLY N N 65 130.641 104.587 26.054 1
1 297 . 4 1 1 A 32 32 LYS H H 66 7.501 7.660 -0.159 1
1 298 . 4 1 1 A 32 32 LYS HA H 66 5.400 5.475 -0.075 1
1 307 . 4 1 1 A 32 32 LYS CA C 66 54.040 54.401 -0.361 1
1 308 . 4 1 1 A 32 32 LYS CB C 66 36.540 36.131 0.409 1
1 312 . 4 1 1 A 32 32 LYS N N 66 118.738 119.717 -0.979 1
1 313 . 4 1 1 A 33 33 ILE H H 67 9.230 9.321 -0.091 1
1 314 . 4 1 1 A 33 33 ILE HA H 67 5.010 4.821 0.189 1
1 324 . 4 1 1 A 33 33 ILE CA C 67 57.690 59.386 -1.696 1
1 325 . 4 1 1 A 33 33 ILE CB C 67 40.190 40.272 -0.082 1
1 329 . 4 1 1 A 33 33 ILE N N 67 118.166 119.192 -1.026 1
1 330 . 4 1 1 A 34 34 THR H H 68 8.262 8.479 -0.217 1
1 331 . 4 1 1 A 34 34 THR HA H 68 4.530 4.711 -0.181 1
1 337 . 4 1 1 A 34 34 THR CA C 68 59.100 60.376 -1.276 1
1 338 . 4 1 1 A 34 34 THR CB C 68 70.000 71.071 -1.071 1
1 340 . 4 1 1 A 34 34 THR N N 68 111.971 113.773 -1.802 1
1 341 . 4 1 1 A 35 35 GLY H H 69 9.000 8.920 0.080 1
1 342 . 4 1 1 A 35 35 GLY HA2 H 69 3.540 3.807 -0.267 1
1 343 . 4 1 1 A 35 35 GLY HA3 H 69 3.830 4.055 -0.225 1
1 344 . 4 1 1 A 35 35 GLY CA C 69 47.480 46.936 0.544 1
1 345 . 4 1 1 A 35 35 GLY N N 69 110.304 109.393 0.911 1
1 346 . 4 1 1 A 36 36 ALA H H 70 8.336 8.061 0.275 1
1 347 . 4 1 1 A 36 36 ALA HA H 70 3.880 3.994 -0.114 1
1 351 . 4 1 1 A 36 36 ALA CA C 70 54.040 54.643 -0.603 1
1 352 . 4 1 1 A 36 36 ALA CB C 70 17.570 18.846 -1.276 1
1 353 . 4 1 1 A 36 36 ALA N N 70 123.822 124.664 -0.842 1
1 354 . 4 1 1 A 37 37 ASN H H 71 7.560 7.843 -0.283 1
1 355 . 4 1 1 A 37 37 ASN HA H 71 4.680 4.564 0.116 1
1 360 . 4 1 1 A 37 37 ASN CA C 71 54.040 55.638 -1.598 1
1 361 . 4 1 1 A 37 37 ASN CB C 71 36.500 38.368 -1.868 1
1 362 . 4 1 1 A 37 37 ASN N N 71 118.643 116.905 1.738 1
1 364 . 4 1 1 A 38 38 ALA H H 72 8.810 8.107 0.703 1
1 365 . 4 1 1 A 38 38 ALA HA H 72 4.100 4.235 -0.135 1
1 369 . 4 1 1 A 38 38 ALA CA C 72 54.770 55.599 -0.829 1
1 370 . 4 1 1 A 38 38 ALA CB C 72 18.240 18.635 -0.395 1
1 371 . 4 1 1 A 38 38 ALA N N 72 123.731 122.896 0.835 1
1 372 . 4 1 1 A 39 39 LYS H H 73 8.837 8.261 0.576 1
1 373 . 4 1 1 A 39 39 LYS HA H 73 3.940 3.926 0.014 1
1 382 . 4 1 1 A 39 39 LYS CA C 73 59.130 59.871 -0.741 1
1 383 . 4 1 1 A 39 39 LYS CB C 73 31.430 32.249 -0.819 1
1 387 . 4 1 1 A 39 39 LYS N N 73 120.046 118.753 1.293 1
1 388 . 4 1 1 A 40 40 LYS H H 74 7.319 7.879 -0.560 1
1 389 . 4 1 1 A 40 40 LYS HA H 74 3.990 4.025 -0.035 1
1 398 . 4 1 1 A 40 40 LYS CA C 74 58.470 59.907 -1.437 1
1 399 . 4 1 1 A 40 40 LYS CB C 74 31.430 32.551 -1.121 1
1 403 . 4 1 1 A 40 40 LYS N N 74 118.778 118.605 0.173 1
1 404 . 4 1 1 A 41 41 GLU H H 75 7.111 8.108 -0.997 1
1 405 . 4 1 1 A 41 41 GLU HA H 75 4.420 4.121 0.299 1
1 410 . 4 1 1 A 41 41 GLU CA C 75 56.200 59.600 -3.400 1
1 411 . 4 1 1 A 41 41 GLU CB C 75 29.240 29.056 0.184 1
1 413 . 4 1 1 A 41 41 GLU N N 75 117.703 118.781 -1.078 1
1 414 . 4 1 1 A 42 42 MET H H 76 8.603 8.436 0.167 1
1 415 . 4 1 1 A 42 42 MET HA H 76 4.010 4.167 -0.157 1
1 423 . 4 1 1 A 42 42 MET CA C 76 59.100 58.821 0.279 1
1 424 . 4 1 1 A 42 42 MET CB C 76 33.620 31.690 1.930 1
1 427 . 4 1 1 A 42 42 MET N N 76 121.344 119.018 2.326 1
1 428 . 4 1 1 A 43 43 VAL H H 77 8.661 8.010 0.651 1
1 429 . 4 1 1 A 43 43 VAL HA H 77 4.063 3.655 0.408 1
1 437 . 4 1 1 A 43 43 VAL CA C 77 63.530 66.968 -3.438 1
1 438 . 4 1 1 A 43 43 VAL CB C 77 30.700 31.316 -0.616 1
1 441 . 4 1 1 A 43 43 VAL N N 77 117.339 120.433 -3.094 1
1 442 . 4 1 1 A 44 44 LYS H H 78 7.464 8.001 -0.537 1
1 443 . 4 1 1 A 44 44 LYS HA H 78 4.110 4.192 -0.082 1
1 452 . 4 1 1 A 44 44 LYS CA C 78 58.400 59.504 -1.104 1
1 453 . 4 1 1 A 44 44 LYS CB C 78 31.430 31.928 -0.498 1
1 457 . 4 1 1 A 44 44 LYS N N 78 124.308 121.001 3.307 1
1 458 . 4 1 1 A 45 45 SER H H 79 7.534 7.654 -0.120 1
1 459 . 4 1 1 A 45 45 SER HA H 79 4.071 4.336 -0.265 1
1 462 . 4 1 1 A 45 45 SER CA C 79 59.880 59.317 0.563 1
1 463 . 4 1 1 A 45 45 SER CB C 79 65.000 64.227 0.773 1
1 464 . 4 1 1 A 45 45 SER N N 79 114.575 111.524 3.051 1
1 465 . 4 1 1 A 46 46 LYS H H 80 7.822 7.470 0.352 1
1 466 . 4 1 1 A 46 46 LYS HA H 80 3.930 3.926 0.004 1
1 475 . 4 1 1 A 46 46 LYS CA C 80 57.000 57.801 -0.801 1
1 476 . 4 1 1 A 46 46 LYS CB C 80 28.510 29.507 -0.997 1
1 480 . 4 1 1 A 46 46 LYS N N 80 114.855 115.951 -1.096 1
1 481 . 4 1 1 A 47 47 LEU H H 81 7.505 7.484 0.021 1
1 482 . 4 1 1 A 47 47 LEU HA H 81 4.470 4.461 0.009 1
1 492 . 4 1 1 A 47 47 LEU CA C 81 52.600 53.044 -0.444 1
1 493 . 4 1 1 A 47 47 LEU CB C 81 40.920 41.356 -0.436 1
1 497 . 4 1 1 A 47 47 LEU N N 81 122.848 120.339 2.509 1
1 498 . 4 1 1 A 48 48 PRO HA H 82 4.510 4.559 -0.049 1
1 505 . 4 1 1 A 48 48 PRO CA C 82 61.340 62.912 -1.572 1
1 506 . 4 1 1 A 48 48 PRO CB C 82 32.100 32.780 -0.680 1
1 509 . 4 1 1 A 49 49 ASN H H 83 7.580 8.678 -1.098 1
1 510 . 4 1 1 A 49 49 ASN HA H 83 4.240 4.415 -0.175 1
1 515 . 4 1 1 A 49 49 ASN CA C 83 56.200 56.212 -0.012 1
1 516 . 4 1 1 A 49 49 ASN CB C 83 37.270 38.278 -1.008 1
1 518 . 4 1 1 A 50 50 THR H H 84 7.010 7.783 -0.773 1
1 519 . 4 1 1 A 50 50 THR HA H 84 4.030 3.976 0.054 1
1 524 . 4 1 1 A 50 50 THR CA C 84 63.500 66.058 -2.558 1
1 525 . 4 1 1 A 50 50 THR CB C 84 67.170 68.579 -1.409 1
1 527 . 4 1 1 A 51 51 VAL H H 85 6.887 7.722 -0.835 1
1 528 . 4 1 1 A 51 51 VAL HA H 85 3.650 3.612 0.038 1
1 536 . 4 1 1 A 51 51 VAL CA C 85 64.200 66.667 -2.467 1
1 537 . 4 1 1 A 51 51 VAL CB C 85 30.700 31.518 -0.818 1
1 540 . 4 1 1 A 51 51 VAL N N 85 125.031 121.187 3.844 1
1 541 . 4 1 1 A 52 52 LEU H H 86 8.043 8.410 -0.367 1
1 542 . 4 1 1 A 52 52 LEU HA H 86 3.730 4.041 -0.311 1
1 552 . 4 1 1 A 52 52 LEU CA C 86 56.960 58.390 -1.430 1
1 553 . 4 1 1 A 52 52 LEU CB C 86 39.430 41.741 -2.311 1
1 557 . 4 1 1 A 52 52 LEU N N 86 121.307 120.484 0.823 1
1 558 . 4 1 1 A 53 53 GLY H H 87 8.420 8.339 0.081 1
1 559 . 4 1 1 A 53 53 GLY HA2 H 87 3.890 3.720 0.170 1
1 560 . 4 1 1 A 53 53 GLY HA3 H 87 3.980 3.752 0.228 1
1 561 . 4 1 1 A 53 53 GLY CA C 87 46.020 47.353 -1.333 1
1 562 . 4 1 1 A 53 53 GLY N N 87 108.274 106.554 1.720 1
1 563 . 4 1 1 A 54 54 LYS H H 88 7.327 8.073 -0.746 1
1 564 . 4 1 1 A 54 54 LYS HA H 88 4.130 4.023 0.107 1
1 573 . 4 1 1 A 54 54 LYS CA C 88 58.420 59.456 -1.036 1
1 574 . 4 1 1 A 54 54 LYS CB C 88 31.430 32.612 -1.182 1
1 578 . 4 1 1 A 54 54 LYS N N 88 125.389 121.892 3.497 1
1 579 . 4 1 1 A 55 55 ILE H H 89 8.075 8.179 -0.104 1
1 580 . 4 1 1 A 55 55 ILE HA H 89 3.470 3.727 -0.257 1
1 590 . 4 1 1 A 55 55 ILE CA C 89 65.720 65.129 0.591 1
1 591 . 4 1 1 A 55 55 ILE CB C 89 36.540 37.556 -1.016 1
1 595 . 4 1 1 A 55 55 ILE N N 89 122.261 119.570 2.691 1
1 596 . 4 1 1 A 56 56 TRP H H 90 8.706 8.448 0.258 1
1 597 . 4 1 1 A 56 56 TRP HA H 90 3.810 4.230 -0.420 1
1 606 . 4 1 1 A 56 56 TRP CA C 90 60.610 60.155 0.455 1
1 607 . 4 1 1 A 56 56 TRP CB C 90 27.790 30.007 -2.217 1
1 613 . 4 1 1 A 56 56 TRP N N 90 121.947 122.201 -0.254 1
1 615 . 4 1 1 A 57 57 LYS H H 91 7.581 8.551 -0.970 1
1 616 . 4 1 1 A 57 57 LYS HA H 91 3.960 4.224 -0.264 1
1 625 . 4 1 1 A 57 57 LYS CA C 91 58.420 59.091 -0.671 1
1 626 . 4 1 1 A 57 57 LYS CB C 91 31.430 32.149 -0.719 1
1 630 . 4 1 1 A 57 57 LYS N N 91 116.801 119.011 -2.210 1
1 631 . 4 1 1 A 58 58 LEU H H 92 7.571 7.470 0.101 1
1 632 . 4 1 1 A 58 58 LEU HA H 92 3.990 4.236 -0.246 1
1 642 . 4 1 1 A 58 58 LEU CA C 92 56.200 56.816 -0.616 1
1 643 . 4 1 1 A 58 58 LEU CB C 92 43.100 41.893 1.207 1
1 647 . 4 1 1 A 58 58 LEU N N 92 119.520 118.972 0.548 1
1 648 . 4 1 1 A 59 59 ALA H H 93 8.135 7.982 0.153 1
1 649 . 4 1 1 A 59 59 ALA HA H 93 4.120 4.146 -0.026 1
1 653 . 4 1 1 A 59 59 ALA CA C 93 52.590 54.986 -2.396 1
1 654 . 4 1 1 A 59 59 ALA CB C 93 18.300 18.397 -0.097 1
1 655 . 4 1 1 A 59 59 ALA N N 93 120.126 121.177 -1.051 1
1 656 . 4 1 1 A 60 60 ASP H H 94 7.530 7.979 -0.449 1
1 657 . 4 1 1 A 60 60 ASP HA H 94 4.540 4.380 0.160 1
1 660 . 4 1 1 A 60 60 ASP CA C 94 51.100 53.338 -2.238 1
1 661 . 4 1 1 A 60 60 ASP CB C 94 35.840 39.413 -3.573 1
1 662 . 4 1 1 A 60 60 ASP N N 94 115.380 117.222 -1.842 1
1 663 . 4 1 1 A 61 61 VAL H H 95 8.340 7.793 0.547 1
1 664 . 4 1 1 A 61 61 VAL HA H 95 3.500 3.682 -0.182 1
1 672 . 4 1 1 A 61 61 VAL CA C 95 65.000 66.181 -1.181 1
1 673 . 4 1 1 A 61 61 VAL CB C 95 31.430 31.812 -0.382 1
1 676 . 4 1 1 A 61 61 VAL N N 95 129.560 124.486 5.074 1
1 677 . 4 1 1 A 62 62 ASP H H 96 7.927 7.687 0.240 1
1 678 . 4 1 1 A 62 62 ASP HA H 96 4.530 4.585 -0.055 1
1 681 . 4 1 1 A 62 62 ASP CA C 96 51.800 53.527 -1.727 1
1 682 . 4 1 1 A 62 62 ASP CB C 96 38.700 40.419 -1.719 1
1 683 . 4 1 1 A 62 62 ASP N N 96 115.789 117.093 -1.304 1
1 684 . 4 1 1 A 63 63 LYS H H 97 7.551 7.807 -0.256 1
1 685 . 4 1 1 A 63 63 LYS HA H 97 3.860 4.192 -0.332 1
1 694 . 4 1 1 A 63 63 LYS CA C 97 56.960 57.202 -0.242 1
1 695 . 4 1 1 A 63 63 LYS CB C 97 28.520 30.101 -1.581 1
1 699 . 4 1 1 A 63 63 LYS N N 97 115.740 115.343 0.397 1
1 700 . 4 1 1 A 64 64 ASP H H 98 8.363 8.145 0.218 1
1 701 . 4 1 1 A 64 64 ASP HA H 98 4.660 4.794 -0.134 1
1 704 . 4 1 1 A 64 64 ASP CA C 98 52.600 53.015 -0.415 1
1 705 . 4 1 1 A 64 64 ASP CB C 98 40.190 41.293 -1.103 1
1 706 . 4 1 1 A 64 64 ASP N N 98 120.463 118.612 1.851 1
1 707 . 4 1 1 A 65 65 GLY H H 99 10.641 8.594 2.047 1
1 708 . 4 1 1 A 65 65 GLY HA2 H 99 3.850 4.052 -0.202 1
1 709 . 4 1 1 A 65 65 GLY HA3 H 99 4.322 4.301 0.021 1
1 710 . 4 1 1 A 65 65 GLY CA C 99 44.800 46.042 -1.242 1
1 711 . 4 1 1 A 65 65 GLY N N 99 115.730 110.950 4.780 1
1 712 . 4 1 1 A 66 66 LEU H H 100 8.157 7.995 0.162 1
1 713 . 4 1 1 A 66 66 LEU HA H 100 5.120 4.967 0.153 1
1 723 . 4 1 1 A 66 66 LEU CA C 100 52.600 53.282 -0.682 1
1 724 . 4 1 1 A 66 66 LEU CB C 100 44.600 44.598 0.002 1
1 728 . 4 1 1 A 66 66 LEU N N 100 123.435 122.526 0.909 1
1 729 . 4 1 1 A 67 67 LEU H H 101 8.687 8.804 -0.117 1
1 730 . 4 1 1 A 67 67 LEU HA H 101 5.800 4.764 1.036 1
1 740 . 4 1 1 A 67 67 LEU CA C 101 51.860 53.991 -2.131 1
1 741 . 4 1 1 A 67 67 LEU CB C 101 42.370 42.721 -0.351 1
1 745 . 4 1 1 A 67 67 LEU N N 101 121.109 123.971 -2.862 1
1 746 . 4 1 1 A 68 68 ASP H H 102 9.229 8.826 0.403 1
1 747 . 4 1 1 A 68 68 ASP HA H 102 5.610 4.843 0.767 1
1 750 . 4 1 1 A 68 68 ASP CA C 102 51.130 54.139 -3.009 1
1 751 . 4 1 1 A 68 68 ASP CB C 102 40.190 41.997 -1.807 1
1 752 . 4 1 1 A 68 68 ASP N N 102 124.386 124.137 0.249 1
1 753 . 4 1 1 A 69 69 ASP H H 103 8.529 8.660 -0.131 1
1 754 . 4 1 1 A 69 69 ASP HA H 103 2.830 2.994 -0.164 1
1 757 . 4 1 1 A 69 69 ASP CA C 103 56.230 58.220 -1.990 1
1 758 . 4 1 1 A 69 69 ASP CB C 103 37.238 41.197 -3.959 1
1 759 . 4 1 1 A 69 69 ASP N N 103 117.423 123.171 -5.748 1
1 760 . 4 1 1 A 70 70 GLU H H 104 7.991 7.937 0.054 1
1 761 . 4 1 1 A 70 70 GLU HA H 104 4.061 4.316 -0.255 1
1 766 . 4 1 1 A 70 70 GLU CA C 104 59.130 59.305 -0.175 1
1 767 . 4 1 1 A 70 70 GLU CB C 104 29.134 29.283 -0.149 1
1 769 . 4 1 1 A 70 70 GLU N N 104 124.895 118.613 6.282 1
1 770 . 4 1 1 A 71 71 GLU H H 105 8.742 8.104 0.638 1
1 771 . 4 1 1 A 71 71 GLU HA H 105 4.000 4.094 -0.094 1
1 776 . 4 1 1 A 71 71 GLU CA C 105 59.150 59.144 0.006 1
1 777 . 4 1 1 A 71 71 GLU CB C 105 30.700 29.255 1.445 1
1 779 . 4 1 1 A 71 71 GLU N N 105 123.465 120.846 2.619 1
1 780 . 4 1 1 A 72 72 PHE H H 106 9.426 8.742 0.684 1
1 781 . 4 1 1 A 72 72 PHE HA H 106 4.230 4.155 0.075 1
1 789 . 4 1 1 A 72 72 PHE CA C 106 59.900 61.642 -1.742 1
1 790 . 4 1 1 A 72 72 PHE CB C 106 38.730 39.089 -0.359 1
1 796 . 4 1 1 A 72 72 PHE N N 106 120.806 121.449 -0.643 1
1 797 . 4 1 1 A 73 73 ALA H H 107 8.085 8.122 -0.037 1
1 798 . 4 1 1 A 73 73 ALA HA H 107 3.770 3.723 0.047 1
1 802 . 4 1 1 A 73 73 ALA CA C 107 54.040 55.099 -1.059 1
1 803 . 4 1 1 A 73 73 ALA CB C 107 16.870 17.934 -1.064 1
1 804 . 4 1 1 A 73 73 ALA N N 107 126.845 121.132 5.713 1
1 805 . 4 1 1 A 74 74 LEU H H 108 8.431 7.799 0.632 1
1 806 . 4 1 1 A 74 74 LEU HA H 108 4.050 3.940 0.110 1
1 816 . 4 1 1 A 74 74 LEU CA C 108 56.960 57.579 -0.619 1
1 817 . 4 1 1 A 74 74 LEU CB C 108 41.600 41.557 0.043 1
1 821 . 4 1 1 A 74 74 LEU N N 108 121.250 120.545 0.705 1
1 822 . 4 1 1 A 75 75 ALA H H 109 8.651 8.167 0.484 1
1 823 . 4 1 1 A 75 75 ALA HA H 109 3.657 3.967 -0.310 1
1 827 . 4 1 1 A 75 75 ALA CA C 109 54.770 55.514 -0.744 1
1 828 . 4 1 1 A 75 75 ALA CB C 109 16.110 18.010 -1.900 1
1 829 . 4 1 1 A 75 75 ALA N N 109 122.981 120.926 2.055 1
1 830 . 4 1 1 A 76 76 ASN H H 110 7.240 7.962 -0.722 1
1 831 . 4 1 1 A 76 76 ASN HA H 110 3.790 4.110 -0.320 1
1 836 . 4 1 1 A 76 76 ASN CA C 110 55.540 55.755 -0.215 1
1 837 . 4 1 1 A 76 76 ASN CB C 110 37.200 36.747 0.453 1
1 838 . 4 1 1 A 76 76 ASN N N 110 115.681 116.461 -0.780 1
1 840 . 4 1 1 A 77 77 HIS H H 111 8.345 7.896 0.449 1
1 841 . 4 1 1 A 77 77 HIS HA H 111 4.094 4.816 -0.722 1
1 846 . 4 1 1 A 77 77 HIS CA C 111 59.150 59.799 -0.649 1
1 847 . 4 1 1 A 77 77 HIS CB C 111 30.700 30.380 0.320 1
1 850 . 4 1 1 A 77 77 HIS N N 111 124.686 120.865 3.821 1
1 851 . 4 1 1 A 78 78 LEU H H 112 8.290 8.148 0.142 1
1 852 . 4 1 1 A 78 78 LEU HA H 112 3.810 3.800 0.010 1
1 862 . 4 1 1 A 78 78 LEU CA C 112 56.200 57.882 -1.682 1
1 863 . 4 1 1 A 78 78 LEU CB C 112 41.600 41.398 0.202 1
1 867 . 4 1 1 A 78 78 LEU N N 112 119.085 119.720 -0.635 1
1 868 . 4 1 1 A 79 79 ILE H H 113 7.792 8.028 -0.236 1
1 869 . 4 1 1 A 79 79 ILE HA H 113 3.290 3.410 -0.120 1
1 879 . 4 1 1 A 79 79 ILE CA C 113 65.000 65.934 -0.934 1
1 880 . 4 1 1 A 79 79 ILE CB C 113 37.200 38.121 -0.921 1
1 884 . 4 1 1 A 79 79 ILE N N 113 121.304 119.697 1.607 1
1 885 . 4 1 1 A 80 80 LYS H H 114 7.546 8.289 -0.743 1
1 886 . 4 1 1 A 80 80 LYS HA H 114 3.820 3.988 -0.168 1
1 895 . 4 1 1 A 80 80 LYS CA C 114 59.100 59.197 -0.097 1
1 896 . 4 1 1 A 80 80 LYS CB C 114 30.700 32.307 -1.607 1
1 900 . 4 1 1 A 80 80 LYS N N 114 122.150 120.887 1.263 1
1 901 . 4 1 1 A 81 81 VAL H H 115 8.110 7.888 0.222 1
1 902 . 4 1 1 A 81 81 VAL HA H 115 3.740 3.383 0.357 1
1 910 . 4 1 1 A 81 81 VAL CA C 115 64.900 66.439 -1.539 1
1 911 . 4 1 1 A 81 81 VAL CB C 115 30.720 31.401 -0.681 1
1 914 . 4 1 1 A 81 81 VAL N N 115 118.999 119.661 -0.662 1
1 915 . 4 1 1 A 82 82 LYS H H 116 7.853 7.993 -0.140 1
1 916 . 4 1 1 A 82 82 LYS HA H 116 4.540 4.347 0.193 1
1 925 . 4 1 1 A 82 82 LYS CA C 116 56.230 59.631 -3.401 1
1 926 . 4 1 1 A 82 82 LYS CB C 116 30.700 31.776 -1.076 1
1 930 . 4 1 1 A 82 82 LYS N N 116 123.030 120.452 2.578 1
1 931 . 4 1 1 A 83 83 LEU H H 117 8.959 8.300 0.659 1
1 932 . 4 1 1 A 83 83 LEU HA H 117 4.080 4.119 -0.039 1
1 942 . 4 1 1 A 83 83 LEU CA C 117 56.900 56.244 0.656 1
1 943 . 4 1 1 A 83 83 LEU CB C 117 40.920 41.537 -0.617 1
1 947 . 4 1 1 A 83 83 LEU N N 117 125.378 119.294 6.084 1
1 948 . 4 1 1 A 84 84 GLU H H 118 7.817 7.594 0.223 1
1 949 . 4 1 1 A 84 84 GLU HA H 118 4.150 4.469 -0.319 1
1 954 . 4 1 1 A 84 84 GLU CA C 118 56.200 56.392 -0.192 1
1 955 . 4 1 1 A 84 84 GLU CB C 118 29.200 30.503 -1.303 1
1 957 . 4 1 1 A 84 84 GLU N N 118 119.766 118.518 1.248 1
1 958 . 4 1 1 A 85 85 GLY H H 119 7.862 7.905 -0.043 1
1 959 . 4 1 1 A 85 85 GLY HA2 H 119 3.640 3.789 -0.149 1
1 960 . 4 1 1 A 85 85 GLY HA3 H 119 4.140 3.859 0.281 1
1 961 . 4 1 1 A 85 85 GLY CA C 119 43.800 45.497 -1.697 1
1 962 . 4 1 1 A 85 85 GLY N N 119 107.902 108.766 -0.864 1
1 963 . 4 1 1 A 86 86 HIS H H 120 7.714 7.641 0.073 1
1 964 . 4 1 1 A 86 86 HIS HA H 120 4.680 4.743 -0.063 1
1 969 . 4 1 1 A 86 86 HIS CA C 120 54.000 55.637 -1.637 1
1 970 . 4 1 1 A 86 86 HIS CB C 120 30.000 32.523 -2.523 1
1 972 . 4 1 1 A 86 86 HIS N N 120 122.124 118.090 4.034 1
1 973 . 4 1 1 A 87 87 GLU H H 121 8.491 8.926 -0.435 1
1 974 . 4 1 1 A 87 87 GLU HA H 121 4.300 4.760 -0.460 1
1 979 . 4 1 1 A 87 87 GLU CA C 121 54.040 55.539 -1.499 1
1 980 . 4 1 1 A 87 87 GLU CB C 121 29.240 31.391 -2.151 1
1 982 . 4 1 1 A 87 87 GLU N N 121 121.826 122.934 -1.108 1
1 983 . 4 1 1 A 88 88 LEU H H 122 8.672 8.707 -0.035 1
1 984 . 4 1 1 A 88 88 LEU HA H 122 4.410 5.008 -0.598 1
1 994 . 4 1 1 A 88 88 LEU CA C 122 51.130 50.828 0.302 1
1 995 . 4 1 1 A 88 88 LEU CB C 122 40.200 43.517 -3.317 1
1 999 . 4 1 1 A 88 88 LEU N N 122 125.316 122.564 2.752 1
1 1000 . 4 1 1 A 89 89 PRO HA H 123 4.560 4.413 0.147 1
1 1007 . 4 1 1 A 89 89 PRO CA C 123 61.340 63.960 -2.620 1
1 1008 . 4 1 1 A 89 89 PRO CB C 123 30.700 31.899 -1.199 1
1 1011 . 4 1 1 A 90 90 ALA H H 124 8.464 7.972 0.492 1
1 1012 . 4 1 1 A 90 90 ALA HA H 124 4.063 3.948 0.115 1
1 1016 . 4 1 1 A 90 90 ALA CA C 124 53.320 53.599 -0.279 1
1 1017 . 4 1 1 A 90 90 ALA CB C 124 18.300 17.911 0.389 1
1 1018 . 4 1 1 A 90 90 ALA N N 124 123.603 120.325 3.278 1
1 1019 . 4 1 1 A 91 91 ASP H H 125 7.482 7.615 -0.133 1
1 1020 . 4 1 1 A 91 91 ASP HA H 125 4.640 5.281 -0.641 1
1 1023 . 4 1 1 A 91 91 ASP CA C 125 50.430 52.700 -2.270 1
1 1024 . 4 1 1 A 91 91 ASP CB C 125 43.100 45.632 -2.532 1
1 1025 . 4 1 1 A 91 91 ASP N N 125 115.317 116.155 -0.838 1
1 1026 . 4 1 1 A 92 92 LEU H H 126 8.883 8.924 -0.041 1
1 1027 . 4 1 1 A 92 92 LEU HA H 126 4.189 4.954 -0.765 1
1 1037 . 4 1 1 A 92 92 LEU CA C 126 52.500 51.237 1.263 1
1 1038 . 4 1 1 A 92 92 LEU CB C 126 41.600 43.697 -2.097 1
1 1042 . 4 1 1 A 92 92 LEU N N 126 125.329 123.016 2.313 1
1 1043 . 4 1 1 A 93 93 PRO HA H 127 4.860 4.487 0.373 1
1 1050 . 4 1 1 A 93 93 PRO CA C 127 59.800 61.783 -1.983 1
1 1051 . 4 1 1 A 93 93 PRO CB C 127 29.970 32.302 -2.332 1
1 1054 . 4 1 1 A 94 94 PRO HA H 128 4.210 4.183 0.027 1
1 1061 . 4 1 1 A 94 94 PRO CA C 128 65.000 65.042 -0.042 1
1 1062 . 4 1 1 A 94 94 PRO CB C 128 31.430 31.830 -0.400 1
1 1065 . 4 1 1 A 95 95 HIS H H 129 7.922 7.862 0.060 1
1 1066 . 4 1 1 A 95 95 HIS HA H 129 4.640 4.573 0.067 1
1 1071 . 4 1 1 A 95 95 HIS CA C 129 56.900 55.898 1.002 1
1 1072 . 4 1 1 A 95 95 HIS CB C 129 28.550 30.116 -1.566 1
1 1075 . 4 1 1 A 95 95 HIS N N 129 112.757 114.961 -2.204 1
1 1076 . 4 1 1 A 96 96 LEU H H 130 7.717 8.050 -0.333 1
1 1077 . 4 1 1 A 96 96 LEU HA H 130 4.640 4.678 -0.038 1
1 1087 . 4 1 1 A 96 96 LEU CA C 130 53.300 54.599 -1.299 1
1 1088 . 4 1 1 A 96 96 LEU CB C 130 42.370 42.803 -0.433 1
1 1092 . 4 1 1 A 96 96 LEU N N 130 121.128 120.164 0.964 1
1 1093 . 4 1 1 A 97 97 VAL H H 131 7.184 7.748 -0.564 1
1 1094 . 4 1 1 A 97 97 VAL HA H 131 3.730 4.151 -0.421 1
1 1102 . 4 1 1 A 97 97 VAL CA C 131 60.640 60.923 -0.283 1
1 1103 . 4 1 1 A 97 97 VAL CB C 131 31.420 32.244 -0.824 1
1 1106 . 4 1 1 A 97 97 VAL N N 131 125.572 121.438 4.134 1
1 1107 . 4 1 1 A 98 98 PRO HA H 132 2.680 3.101 -0.421 1
1 1114 . 4 1 1 A 98 98 PRO CA C 132 59.880 61.526 -1.646 1
1 1115 . 4 1 1 A 98 98 PRO CB C 132 30.700 31.956 -1.256 1
1 1118 . 4 1 1 A 99 99 PRO HA H 133 3.600 4.066 -0.466 1
1 1125 . 4 1 1 A 99 99 PRO CA C 133 64.990 64.714 0.276 1
1 1126 . 4 1 1 A 99 99 PRO CB C 133 31.400 31.576 -0.176 1
1 1129 . 4 1 1 A 100 100 SER H H 134 9.200 7.867 1.333 1
1 1130 . 4 1 1 A 100 100 SER HA H 134 4.150 4.299 -0.149 1
1 1133 . 4 1 1 A 100 100 SER CA C 134 59.880 59.693 0.187 1
1 1134 . 4 1 1 A 100 100 SER CB C 134 61.340 63.777 -2.437 1
1 1135 . 4 1 1 A 100 100 SER N N 134 115.005 111.277 3.728 1
1 1136 . 4 1 1 A 101 101 LYS H H 135 7.867 7.869 -0.002 1
1 1137 . 4 1 1 A 101 101 LYS HA H 135 4.447 4.547 -0.100 1
1 1146 . 4 1 1 A 101 101 LYS CA C 135 52.600 54.977 -2.377 1
1 1147 . 4 1 1 A 101 101 LYS CB C 135 30.700 32.464 -1.764 1
1 1151 . 4 1 1 A 101 101 LYS N N 135 121.053 119.403 1.650 1
1 1152 . 4 1 1 A 102 102 ARG H H 136 7.077 7.370 -0.293 1
1 1153 . 4 1 1 A 102 102 ARG HA H 136 4.100 4.480 -0.380 1
1 1164 . 4 1 1 A 102 102 ARG CA C 136 55.500 55.799 -0.299 1
1 1165 . 4 1 1 A 102 102 ARG CB C 136 30.000 30.753 -0.753 1
1 1168 . 4 1 1 A 102 102 ARG N N 136 121.939 118.302 3.637 1
1 1169 . 4 1 1 A 103 103 ARG H H 137 8.289 8.669 -0.380 1
1 1170 . 4 1 1 A 103 103 ARG HA H 137 4.290 4.891 -0.601 1
1 1181 . 4 1 1 A 103 103 ARG CA C 137 54.770 54.886 -0.116 1
1 1182 . 4 1 1 A 103 103 ARG CB C 137 30.000 33.299 -3.299 1
1 1185 . 4 1 1 A 103 103 ARG N N 137 123.504 124.095 -0.591 1
1 1186 . 4 1 1 A 104 104 HIS H H 138 8.370 9.172 -0.802 1
1 1187 . 4 1 1 A 104 104 HIS HA H 138 4.660 4.965 -0.305 1
1 1192 . 4 1 1 A 104 104 HIS CA C 138 54.040 55.715 -1.675 1
1 1193 . 4 1 1 A 104 104 HIS CB C 138 29.240 33.126 -3.886 1
1 1 . 5 1 1 A 7 7 ASP H H 41 8.479 8.841 -0.362 1
1 2 . 5 1 1 A 7 7 ASP HA H 41 4.595 4.824 -0.229 1
1 5 . 5 1 1 A 7 7 ASP CA C 41 52.900 54.450 -1.550 1
1 6 . 5 1 1 A 7 7 ASP CB C 41 39.760 41.757 -1.997 1
1 7 . 5 1 1 A 7 7 ASP N N 41 124.447 127.780 -3.333 1
1 8 . 5 1 1 A 8 8 VAL H H 42 7.916 8.680 -0.764 1
1 9 . 5 1 1 A 8 8 VAL HA H 42 4.140 4.745 -0.605 1
1 17 . 5 1 1 A 8 8 VAL CA C 42 60.610 60.875 -0.265 1
1 18 . 5 1 1 A 8 8 VAL CB C 42 32.160 33.438 -1.278 1
1 21 . 5 1 1 A 8 8 VAL N N 42 120.853 121.233 -0.380 1
1 22 . 5 1 1 A 9 9 GLU H H 43 8.476 8.579 -0.103 1
1 23 . 5 1 1 A 9 9 GLU HA H 43 4.290 4.225 0.065 1
1 28 . 5 1 1 A 9 9 GLU CA C 43 55.500 56.792 -1.292 1
1 29 . 5 1 1 A 9 9 GLU CB C 43 29.400 29.848 -0.448 1
1 31 . 5 1 1 A 9 9 GLU N N 43 127.650 124.206 3.444 1
1 32 . 5 1 1 A 10 10 TRP H H 44 8.839 8.607 0.232 1
1 33 . 5 1 1 A 10 10 TRP HA H 44 5.220 4.867 0.353 1
1 42 . 5 1 1 A 10 10 TRP CA C 44 54.040 55.748 -1.708 1
1 43 . 5 1 1 A 10 10 TRP CB C 44 27.800 29.721 -1.921 1
1 49 . 5 1 1 A 10 10 TRP N N 44 126.378 124.764 1.614 1
1 50 . 5 1 1 A 11 11 VAL H H 45 9.230 8.525 0.705 1
1 51 . 5 1 1 A 11 11 VAL HA H 45 3.891 3.822 0.069 1
1 59 . 5 1 1 A 11 11 VAL CA C 45 63.530 64.426 -0.896 1
1 60 . 5 1 1 A 11 11 VAL CB C 45 30.700 31.326 -0.626 1
1 63 . 5 1 1 A 11 11 VAL N N 45 131.353 125.642 5.711 1
1 64 . 5 1 1 A 12 12 VAL H H 46 5.000 7.057 -2.057 1
1 65 . 5 1 1 A 12 12 VAL HA H 46 3.033 3.045 -0.012 1
1 73 . 5 1 1 A 12 12 VAL CA C 46 60.650 65.234 -4.584 1
1 74 . 5 1 1 A 12 12 VAL CB C 46 29.280 30.178 -0.898 1
1 77 . 5 1 1 A 13 13 GLY H H 47 7.330 8.285 -0.955 1
1 78 . 5 1 1 A 13 13 GLY HA2 H 47 3.580 3.855 -0.275 1
1 79 . 5 1 1 A 13 13 GLY HA3 H 47 4.180 3.923 0.257 1
1 80 . 5 1 1 A 13 13 GLY CA C 47 46.760 46.431 0.329 1
1 81 . 5 1 1 A 14 14 LYS H H 48 7.570 8.281 -0.711 1
1 82 . 5 1 1 A 14 14 LYS HA H 48 4.065 4.079 -0.014 1
1 91 . 5 1 1 A 14 14 LYS CA C 48 57.700 58.608 -0.908 1
1 92 . 5 1 1 A 14 14 LYS CB C 48 30.700 32.049 -1.349 1
1 96 . 5 1 1 A 14 14 LYS N N 48 121.084 117.647 3.437 1
1 97 . 5 1 1 A 15 15 ASP H H 49 7.309 7.722 -0.413 1
1 98 . 5 1 1 A 15 15 ASP HA H 49 4.778 4.742 0.036 1
1 101 . 5 1 1 A 15 15 ASP CA C 49 52.880 53.520 -0.640 1
1 102 . 5 1 1 A 15 15 ASP CB C 49 42.300 41.261 1.039 1
1 103 . 5 1 1 A 15 15 ASP N N 49 118.181 118.897 -0.716 1
1 104 . 5 1 1 A 16 16 LYS H H 50 7.506 7.647 -0.141 1
1 105 . 5 1 1 A 16 16 LYS HA H 50 4.061 4.075 -0.014 1
1 114 . 5 1 1 A 16 16 LYS CA C 50 60.610 60.495 0.115 1
1 115 . 5 1 1 A 16 16 LYS CB C 50 30.700 32.769 -2.069 1
1 119 . 5 1 1 A 16 16 LYS N N 50 123.633 120.439 3.194 1
1 120 . 5 1 1 A 17 17 PRO HA H 51 4.430 4.235 0.195 1
1 127 . 5 1 1 A 17 17 PRO CA C 51 65.720 66.111 -0.391 1
1 128 . 5 1 1 A 17 17 PRO CB C 51 29.970 30.849 -0.879 1
1 131 . 5 1 1 A 18 18 THR H H 52 7.280 7.590 -0.310 1
1 132 . 5 1 1 A 18 18 THR HA H 52 3.970 4.043 -0.073 1
1 137 . 5 1 1 A 18 18 THR CA C 52 64.990 65.192 -0.202 1
1 138 . 5 1 1 A 18 18 THR CB C 52 67.170 68.191 -1.021 1
1 140 . 5 1 1 A 18 18 THR N N 52 115.095 112.383 2.712 1
1 141 . 5 1 1 A 19 19 TYR H H 53 7.083 7.519 -0.436 1
1 142 . 5 1 1 A 19 19 TYR HA H 53 4.716 4.401 0.315 1
1 149 . 5 1 1 A 19 19 TYR CA C 53 57.400 62.044 -4.644 1
1 150 . 5 1 1 A 19 19 TYR CB C 53 35.800 37.176 -1.376 1
1 155 . 5 1 1 A 19 19 TYR N N 53 125.380 119.793 5.587 1
1 156 . 5 1 1 A 20 20 ASP H H 54 9.596 8.350 1.246 1
1 157 . 5 1 1 A 20 20 ASP HA H 54 4.492 4.444 0.048 1
1 160 . 5 1 1 A 20 20 ASP CA C 54 56.200 57.066 -0.866 1
1 161 . 5 1 1 A 20 20 ASP CB C 54 38.730 40.218 -1.488 1
1 162 . 5 1 1 A 20 20 ASP N N 54 124.548 120.972 3.576 1
1 163 . 5 1 1 A 21 21 GLU H H 55 7.309 7.848 -0.539 1
1 164 . 5 1 1 A 21 21 GLU HA H 55 4.140 3.991 0.149 1
1 169 . 5 1 1 A 21 21 GLU CA C 55 58.420 59.142 -0.722 1
1 170 . 5 1 1 A 21 21 GLU CB C 55 29.250 29.529 -0.279 1
1 172 . 5 1 1 A 21 21 GLU N N 55 118.181 119.819 -1.638 1
1 173 . 5 1 1 A 22 22 ILE H H 56 7.249 7.905 -0.656 1
1 174 . 5 1 1 A 22 22 ILE HA H 56 3.940 4.041 -0.101 1
1 184 . 5 1 1 A 22 22 ILE CA C 56 62.870 64.588 -1.718 1
1 185 . 5 1 1 A 22 22 ILE CB C 56 38.000 37.224 0.776 1
1 189 . 5 1 1 A 22 22 ILE N N 56 118.978 120.672 -1.694 1
1 190 . 5 1 1 A 23 23 PHE H H 57 9.117 8.635 0.482 1
1 191 . 5 1 1 A 23 23 PHE HA H 57 3.090 3.658 -0.568 1
1 199 . 5 1 1 A 23 23 PHE CA C 57 61.300 61.246 0.054 1
1 200 . 5 1 1 A 23 23 PHE CB C 57 38.730 38.913 -0.183 1
1 206 . 5 1 1 A 23 23 PHE N N 57 127.639 122.069 5.570 1
1 207 . 5 1 1 A 24 24 TYR H H 58 7.922 7.910 0.012 1
1 208 . 5 1 1 A 24 24 TYR HA H 58 3.990 4.273 -0.283 1
1 215 . 5 1 1 A 24 24 TYR CA C 58 60.610 60.942 -0.332 1
1 216 . 5 1 1 A 24 24 TYR CB C 58 36.540 38.406 -1.866 1
1 221 . 5 1 1 A 24 24 TYR N N 58 112.757 115.357 -2.600 1
1 222 . 5 1 1 A 25 25 THR H H 59 8.081 7.503 0.578 1
1 223 . 5 1 1 A 25 25 THR HA H 59 4.640 4.330 0.310 1
1 229 . 5 1 1 A 25 25 THR CA C 59 62.070 62.935 -0.865 1
1 230 . 5 1 1 A 25 25 THR CB C 59 68.630 69.160 -0.530 1
1 232 . 5 1 1 A 25 25 THR N N 59 112.676 112.300 0.376 1
1 233 . 5 1 1 A 26 26 LEU H H 60 7.373 7.047 0.326 1
1 234 . 5 1 1 A 26 26 LEU HA H 60 4.460 4.350 0.110 1
1 244 . 5 1 1 A 26 26 LEU CA C 60 52.600 54.122 -1.522 1
1 245 . 5 1 1 A 26 26 LEU CB C 60 39.400 42.000 -2.600 1
1 249 . 5 1 1 A 26 26 LEU N N 60 125.808 120.858 4.950 1
1 250 . 5 1 1 A 27 27 SER H H 61 7.860 7.882 -0.022 1
1 251 . 5 1 1 A 27 27 SER HA H 61 3.980 4.076 -0.096 1
1 254 . 5 1 1 A 27 27 SER CA C 61 56.960 58.597 -1.637 1
1 255 . 5 1 1 A 27 27 SER CB C 61 60.640 61.695 -1.055 1
1 256 . 5 1 1 A 27 27 SER N N 61 111.582 113.138 -1.556 1
1 257 . 5 1 1 A 28 28 PRO HA H 62 4.190 4.641 -0.451 1
1 264 . 5 1 1 A 28 28 PRO CA C 62 62.070 61.904 0.166 1
1 265 . 5 1 1 A 28 28 PRO CB C 62 29.970 32.228 -2.258 1
1 268 . 5 1 1 A 29 29 VAL H H 63 8.744 8.297 0.447 1
1 269 . 5 1 1 A 29 29 VAL HA H 63 4.180 4.591 -0.411 1
1 277 . 5 1 1 A 29 29 VAL CA C 63 60.640 59.701 0.939 1
1 278 . 5 1 1 A 29 29 VAL CB C 63 33.620 34.714 -1.094 1
1 281 . 5 1 1 A 29 29 VAL N N 63 124.299 116.486 7.813 1
1 282 . 5 1 1 A 30 30 ASN H H 64 9.713 9.472 0.241 1
1 283 . 5 1 1 A 30 30 ASN HA H 64 4.410 4.487 -0.077 1
1 288 . 5 1 1 A 30 30 ASN CA C 64 53.320 54.665 -1.345 1
1 289 . 5 1 1 A 30 30 ASN CB C 64 36.540 37.259 -0.719 1
1 290 . 5 1 1 A 30 30 ASN N N 64 129.729 120.737 8.992 1
1 292 . 5 1 1 A 31 31 GLY H H 65 8.862 8.724 0.138 1
1 293 . 5 1 1 A 31 31 GLY HA2 H 65 3.770 4.007 -0.237 1
1 294 . 5 1 1 A 31 31 GLY HA3 H 65 4.250 4.116 0.134 1
1 295 . 5 1 1 A 31 31 GLY CA C 65 44.560 46.045 -1.485 1
1 296 . 5 1 1 A 31 31 GLY N N 65 130.641 104.160 26.481 1
1 297 . 5 1 1 A 32 32 LYS H H 66 7.501 7.431 0.070 1
1 298 . 5 1 1 A 32 32 LYS HA H 66 5.400 5.282 0.118 1
1 307 . 5 1 1 A 32 32 LYS CA C 66 54.040 54.609 -0.569 1
1 308 . 5 1 1 A 32 32 LYS CB C 66 36.540 36.221 0.319 1
1 312 . 5 1 1 A 32 32 LYS N N 66 118.738 115.043 3.695 1
1 313 . 5 1 1 A 33 33 ILE H H 67 9.230 9.130 0.100 1
1 314 . 5 1 1 A 33 33 ILE HA H 67 5.010 4.879 0.131 1
1 324 . 5 1 1 A 33 33 ILE CA C 67 57.690 59.578 -1.888 1
1 325 . 5 1 1 A 33 33 ILE CB C 67 40.190 40.013 0.177 1
1 329 . 5 1 1 A 33 33 ILE N N 67 118.166 118.737 -0.571 1
1 330 . 5 1 1 A 34 34 THR H H 68 8.262 8.589 -0.327 1
1 331 . 5 1 1 A 34 34 THR HA H 68 4.530 4.559 -0.029 1
1 337 . 5 1 1 A 34 34 THR CA C 68 59.100 60.903 -1.803 1
1 338 . 5 1 1 A 34 34 THR CB C 68 70.000 70.916 -0.916 1
1 340 . 5 1 1 A 34 34 THR N N 68 111.971 114.132 -2.161 1
1 341 . 5 1 1 A 35 35 GLY H H 69 9.000 8.541 0.459 1
1 342 . 5 1 1 A 35 35 GLY HA2 H 69 3.540 3.863 -0.323 1
1 343 . 5 1 1 A 35 35 GLY HA3 H 69 3.830 4.194 -0.364 1
1 344 . 5 1 1 A 35 35 GLY CA C 69 47.480 46.916 0.564 1
1 345 . 5 1 1 A 35 35 GLY N N 69 110.304 109.575 0.729 1
1 346 . 5 1 1 A 36 36 ALA H H 70 8.336 8.001 0.335 1
1 347 . 5 1 1 A 36 36 ALA HA H 70 3.880 3.955 -0.075 1
1 351 . 5 1 1 A 36 36 ALA CA C 70 54.040 54.625 -0.585 1
1 352 . 5 1 1 A 36 36 ALA CB C 70 17.570 18.849 -1.279 1
1 353 . 5 1 1 A 36 36 ALA N N 70 123.822 124.140 -0.318 1
1 354 . 5 1 1 A 37 37 ASN H H 71 7.560 7.756 -0.196 1
1 355 . 5 1 1 A 37 37 ASN HA H 71 4.680 4.580 0.100 1
1 360 . 5 1 1 A 37 37 ASN CA C 71 54.040 55.712 -1.672 1
1 361 . 5 1 1 A 37 37 ASN CB C 71 36.500 38.063 -1.563 1
1 362 . 5 1 1 A 37 37 ASN N N 71 118.643 117.270 1.373 1
1 364 . 5 1 1 A 38 38 ALA H H 72 8.810 7.993 0.817 1
1 365 . 5 1 1 A 38 38 ALA HA H 72 4.100 4.343 -0.243 1
1 369 . 5 1 1 A 38 38 ALA CA C 72 54.770 55.416 -0.646 1
1 370 . 5 1 1 A 38 38 ALA CB C 72 18.240 18.840 -0.600 1
1 371 . 5 1 1 A 38 38 ALA N N 72 123.731 121.987 1.744 1
1 372 . 5 1 1 A 39 39 LYS H H 73 8.837 8.062 0.775 1
1 373 . 5 1 1 A 39 39 LYS HA H 73 3.940 3.974 -0.034 1
1 382 . 5 1 1 A 39 39 LYS CA C 73 59.130 59.722 -0.592 1
1 383 . 5 1 1 A 39 39 LYS CB C 73 31.430 32.318 -0.888 1
1 387 . 5 1 1 A 39 39 LYS N N 73 120.046 118.373 1.673 1
1 388 . 5 1 1 A 40 40 LYS H H 74 7.319 7.673 -0.354 1
1 389 . 5 1 1 A 40 40 LYS HA H 74 3.990 3.989 0.001 1
1 398 . 5 1 1 A 40 40 LYS CA C 74 58.470 60.069 -1.599 1
1 399 . 5 1 1 A 40 40 LYS CB C 74 31.430 32.040 -0.610 1
1 403 . 5 1 1 A 40 40 LYS N N 74 118.778 118.158 0.620 1
1 404 . 5 1 1 A 41 41 GLU H H 75 7.111 7.936 -0.825 1
1 405 . 5 1 1 A 41 41 GLU HA H 75 4.420 4.142 0.278 1
1 410 . 5 1 1 A 41 41 GLU CA C 75 56.200 59.499 -3.299 1
1 411 . 5 1 1 A 41 41 GLU CB C 75 29.240 29.228 0.012 1
1 413 . 5 1 1 A 41 41 GLU N N 75 117.703 119.762 -2.059 1
1 414 . 5 1 1 A 42 42 MET H H 76 8.603 8.365 0.238 1
1 415 . 5 1 1 A 42 42 MET HA H 76 4.010 4.544 -0.534 1
1 423 . 5 1 1 A 42 42 MET CA C 76 59.100 57.786 1.314 1
1 424 . 5 1 1 A 42 42 MET CB C 76 33.620 31.719 1.901 1
1 427 . 5 1 1 A 42 42 MET N N 76 121.344 118.470 2.874 1
1 428 . 5 1 1 A 43 43 VAL H H 77 8.661 7.893 0.768 1
1 429 . 5 1 1 A 43 43 VAL HA H 77 4.063 3.990 0.073 1
1 437 . 5 1 1 A 43 43 VAL CA C 77 63.530 64.712 -1.182 1
1 438 . 5 1 1 A 43 43 VAL CB C 77 30.700 31.745 -1.045 1
1 441 . 5 1 1 A 43 43 VAL N N 77 117.339 114.802 2.537 1
1 442 . 5 1 1 A 44 44 LYS H H 78 7.464 7.854 -0.390 1
1 443 . 5 1 1 A 44 44 LYS HA H 78 4.110 4.162 -0.052 1
1 452 . 5 1 1 A 44 44 LYS CA C 78 58.400 59.345 -0.945 1
1 453 . 5 1 1 A 44 44 LYS CB C 78 31.430 32.025 -0.595 1
1 457 . 5 1 1 A 44 44 LYS N N 78 124.308 121.006 3.302 1
1 458 . 5 1 1 A 45 45 SER H H 79 7.534 7.697 -0.163 1
1 459 . 5 1 1 A 45 45 SER HA H 79 4.071 4.344 -0.273 1
1 462 . 5 1 1 A 45 45 SER CA C 79 59.880 59.234 0.646 1
1 463 . 5 1 1 A 45 45 SER CB C 79 65.000 64.124 0.876 1
1 464 . 5 1 1 A 45 45 SER N N 79 114.575 111.281 3.294 1
1 465 . 5 1 1 A 46 46 LYS H H 80 7.822 7.834 -0.012 1
1 466 . 5 1 1 A 46 46 LYS HA H 80 3.930 3.910 0.020 1
1 475 . 5 1 1 A 46 46 LYS CA C 80 57.000 57.545 -0.545 1
1 476 . 5 1 1 A 46 46 LYS CB C 80 28.510 29.169 -0.659 1
1 480 . 5 1 1 A 46 46 LYS N N 80 114.855 116.006 -1.151 1
1 481 . 5 1 1 A 47 47 LEU H H 81 7.505 7.884 -0.379 1
1 482 . 5 1 1 A 47 47 LEU HA H 81 4.470 4.456 0.014 1
1 492 . 5 1 1 A 47 47 LEU CA C 81 52.600 53.110 -0.510 1
1 493 . 5 1 1 A 47 47 LEU CB C 81 40.920 40.697 0.223 1
1 497 . 5 1 1 A 47 47 LEU N N 81 122.848 119.952 2.896 1
1 498 . 5 1 1 A 48 48 PRO HA H 82 4.510 4.562 -0.052 1
1 505 . 5 1 1 A 48 48 PRO CA C 82 61.340 62.916 -1.576 1
1 506 . 5 1 1 A 48 48 PRO CB C 82 32.100 32.649 -0.549 1
1 509 . 5 1 1 A 49 49 ASN H H 83 7.580 8.673 -1.093 1
1 510 . 5 1 1 A 49 49 ASN HA H 83 4.240 4.390 -0.150 1
1 515 . 5 1 1 A 49 49 ASN CA C 83 56.200 56.274 -0.074 1
1 516 . 5 1 1 A 49 49 ASN CB C 83 37.270 38.128 -0.858 1
1 518 . 5 1 1 A 50 50 THR H H 84 7.010 8.141 -1.131 1
1 519 . 5 1 1 A 50 50 THR HA H 84 4.030 4.028 0.002 1
1 524 . 5 1 1 A 50 50 THR CA C 84 63.500 65.810 -2.310 1
1 525 . 5 1 1 A 50 50 THR CB C 84 67.170 68.186 -1.016 1
1 527 . 5 1 1 A 51 51 VAL H H 85 6.887 8.274 -1.387 1
1 528 . 5 1 1 A 51 51 VAL HA H 85 3.650 3.761 -0.111 1
1 536 . 5 1 1 A 51 51 VAL CA C 85 64.200 67.114 -2.914 1
1 537 . 5 1 1 A 51 51 VAL CB C 85 30.700 31.718 -1.018 1
1 540 . 5 1 1 A 51 51 VAL N N 85 125.031 122.921 2.110 1
1 541 . 5 1 1 A 52 52 LEU H H 86 8.043 8.481 -0.438 1
1 542 . 5 1 1 A 52 52 LEU HA H 86 3.730 4.054 -0.324 1
1 552 . 5 1 1 A 52 52 LEU CA C 86 56.960 58.375 -1.415 1
1 553 . 5 1 1 A 52 52 LEU CB C 86 39.430 41.598 -2.168 1
1 557 . 5 1 1 A 52 52 LEU N N 86 121.307 120.298 1.009 1
1 558 . 5 1 1 A 53 53 GLY H H 87 8.420 8.275 0.145 1
1 559 . 5 1 1 A 53 53 GLY HA2 H 87 3.890 3.672 0.218 1
1 560 . 5 1 1 A 53 53 GLY HA3 H 87 3.980 3.725 0.255 1
1 561 . 5 1 1 A 53 53 GLY CA C 87 46.020 47.341 -1.321 1
1 562 . 5 1 1 A 53 53 GLY N N 87 108.274 106.615 1.659 1
1 563 . 5 1 1 A 54 54 LYS H H 88 7.327 8.058 -0.731 1
1 564 . 5 1 1 A 54 54 LYS HA H 88 4.130 4.075 0.055 1
1 573 . 5 1 1 A 54 54 LYS CA C 88 58.420 59.330 -0.910 1
1 574 . 5 1 1 A 54 54 LYS CB C 88 31.430 32.306 -0.876 1
1 578 . 5 1 1 A 54 54 LYS N N 88 125.389 122.098 3.291 1
1 579 . 5 1 1 A 55 55 ILE H H 89 8.075 8.176 -0.101 1
1 580 . 5 1 1 A 55 55 ILE HA H 89 3.470 3.710 -0.240 1
1 590 . 5 1 1 A 55 55 ILE CA C 89 65.720 64.821 0.899 1
1 591 . 5 1 1 A 55 55 ILE CB C 89 36.540 37.193 -0.653 1
1 595 . 5 1 1 A 55 55 ILE N N 89 122.261 119.794 2.467 1
1 596 . 5 1 1 A 56 56 TRP H H 90 8.706 8.555 0.151 1
1 597 . 5 1 1 A 56 56 TRP HA H 90 3.810 4.179 -0.369 1
1 606 . 5 1 1 A 56 56 TRP CA C 90 60.610 60.724 -0.114 1
1 607 . 5 1 1 A 56 56 TRP CB C 90 27.790 29.955 -2.165 1
1 613 . 5 1 1 A 56 56 TRP N N 90 121.947 123.054 -1.107 1
1 615 . 5 1 1 A 57 57 LYS H H 91 7.581 7.991 -0.410 1
1 616 . 5 1 1 A 57 57 LYS HA H 91 3.960 4.109 -0.149 1
1 625 . 5 1 1 A 57 57 LYS CA C 91 58.420 58.611 -0.191 1
1 626 . 5 1 1 A 57 57 LYS CB C 91 31.430 32.216 -0.786 1
1 630 . 5 1 1 A 57 57 LYS N N 91 116.801 120.004 -3.203 1
1 631 . 5 1 1 A 58 58 LEU H H 92 7.571 7.639 -0.068 1
1 632 . 5 1 1 A 58 58 LEU HA H 92 3.990 4.118 -0.128 1
1 642 . 5 1 1 A 58 58 LEU CA C 92 56.200 57.005 -0.805 1
1 643 . 5 1 1 A 58 58 LEU CB C 92 43.100 42.278 0.822 1
1 647 . 5 1 1 A 58 58 LEU N N 92 119.520 120.483 -0.963 1
1 648 . 5 1 1 A 59 59 ALA H H 93 8.135 7.555 0.580 1
1 649 . 5 1 1 A 59 59 ALA HA H 93 4.120 4.315 -0.195 1
1 653 . 5 1 1 A 59 59 ALA CA C 93 52.590 54.215 -1.625 1
1 654 . 5 1 1 A 59 59 ALA CB C 93 18.300 19.082 -0.782 1
1 655 . 5 1 1 A 59 59 ALA N N 93 120.126 120.310 -0.184 1
1 656 . 5 1 1 A 60 60 ASP H H 94 7.530 8.109 -0.579 1
1 657 . 5 1 1 A 60 60 ASP HA H 94 4.540 4.389 0.151 1
1 660 . 5 1 1 A 60 60 ASP CA C 94 51.100 53.694 -2.594 1
1 661 . 5 1 1 A 60 60 ASP CB C 94 35.840 40.292 -4.452 1
1 662 . 5 1 1 A 60 60 ASP N N 94 115.380 117.118 -1.738 1
1 663 . 5 1 1 A 61 61 VAL H H 95 8.340 8.604 -0.264 1
1 664 . 5 1 1 A 61 61 VAL HA H 95 3.500 3.786 -0.286 1
1 672 . 5 1 1 A 61 61 VAL CA C 95 65.000 65.793 -0.793 1
1 673 . 5 1 1 A 61 61 VAL CB C 95 31.430 31.901 -0.471 1
1 676 . 5 1 1 A 61 61 VAL N N 95 129.560 124.908 4.652 1
1 677 . 5 1 1 A 62 62 ASP H H 96 7.927 7.750 0.177 1
1 678 . 5 1 1 A 62 62 ASP HA H 96 4.530 4.569 -0.039 1
1 681 . 5 1 1 A 62 62 ASP CA C 96 51.800 53.669 -1.869 1
1 682 . 5 1 1 A 62 62 ASP CB C 96 38.700 40.558 -1.858 1
1 683 . 5 1 1 A 62 62 ASP N N 96 115.789 116.994 -1.205 1
1 684 . 5 1 1 A 63 63 LYS H H 97 7.551 7.769 -0.218 1
1 685 . 5 1 1 A 63 63 LYS HA H 97 3.860 4.536 -0.676 1
1 694 . 5 1 1 A 63 63 LYS CA C 97 56.960 57.143 -0.183 1
1 695 . 5 1 1 A 63 63 LYS CB C 97 28.520 30.088 -1.568 1
1 699 . 5 1 1 A 63 63 LYS N N 97 115.740 115.297 0.443 1
1 700 . 5 1 1 A 64 64 ASP H H 98 8.363 7.919 0.444 1
1 701 . 5 1 1 A 64 64 ASP HA H 98 4.660 4.780 -0.120 1
1 704 . 5 1 1 A 64 64 ASP CA C 98 52.600 52.995 -0.395 1
1 705 . 5 1 1 A 64 64 ASP CB C 98 40.190 40.926 -0.736 1
1 706 . 5 1 1 A 64 64 ASP N N 98 120.463 118.812 1.651 1
1 707 . 5 1 1 A 65 65 GLY H H 99 10.641 8.214 2.427 1
1 708 . 5 1 1 A 65 65 GLY HA2 H 99 3.850 4.098 -0.248 1
1 709 . 5 1 1 A 65 65 GLY HA3 H 99 4.322 4.359 -0.037 1
1 710 . 5 1 1 A 65 65 GLY CA C 99 44.800 46.438 -1.638 1
1 711 . 5 1 1 A 65 65 GLY N N 99 115.730 110.969 4.761 1
1 712 . 5 1 1 A 66 66 LEU H H 100 8.157 7.656 0.501 1
1 713 . 5 1 1 A 66 66 LEU HA H 100 5.120 5.292 -0.172 1
1 723 . 5 1 1 A 66 66 LEU CA C 100 52.600 53.059 -0.459 1
1 724 . 5 1 1 A 66 66 LEU CB C 100 44.600 45.691 -1.091 1
1 728 . 5 1 1 A 66 66 LEU N N 100 123.435 116.458 6.977 1
1 729 . 5 1 1 A 67 67 LEU H H 101 8.687 9.132 -0.445 1
1 730 . 5 1 1 A 67 67 LEU HA H 101 5.800 5.033 0.767 1
1 740 . 5 1 1 A 67 67 LEU CA C 101 51.860 53.698 -1.838 1
1 741 . 5 1 1 A 67 67 LEU CB C 101 42.370 44.702 -2.332 1
1 745 . 5 1 1 A 67 67 LEU N N 101 121.109 120.566 0.543 1
1 746 . 5 1 1 A 68 68 ASP H H 102 9.229 8.772 0.457 1
1 747 . 5 1 1 A 68 68 ASP HA H 102 5.610 5.005 0.605 1
1 750 . 5 1 1 A 68 68 ASP CA C 102 51.130 52.780 -1.650 1
1 751 . 5 1 1 A 68 68 ASP CB C 102 40.190 41.378 -1.188 1
1 752 . 5 1 1 A 68 68 ASP N N 102 124.386 125.155 -0.769 1
1 753 . 5 1 1 A 69 69 ASP H H 103 8.529 8.504 0.025 1
1 754 . 5 1 1 A 69 69 ASP HA H 103 2.830 3.375 -0.545 1
1 757 . 5 1 1 A 69 69 ASP CA C 103 56.230 56.121 0.109 1
1 758 . 5 1 1 A 69 69 ASP CB C 103 37.238 39.482 -2.244 1
1 759 . 5 1 1 A 69 69 ASP N N 103 117.423 118.231 -0.808 1
1 760 . 5 1 1 A 70 70 GLU H H 104 7.991 7.988 0.003 1
1 761 . 5 1 1 A 70 70 GLU HA H 104 4.061 4.344 -0.283 1
1 766 . 5 1 1 A 70 70 GLU CA C 104 59.130 59.381 -0.251 1
1 767 . 5 1 1 A 70 70 GLU CB C 104 29.134 29.576 -0.442 1
1 769 . 5 1 1 A 70 70 GLU N N 104 124.895 120.664 4.231 1
1 770 . 5 1 1 A 71 71 GLU H H 105 8.742 7.995 0.747 1
1 771 . 5 1 1 A 71 71 GLU HA H 105 4.000 4.156 -0.156 1
1 776 . 5 1 1 A 71 71 GLU CA C 105 59.150 58.846 0.304 1
1 777 . 5 1 1 A 71 71 GLU CB C 105 30.700 29.471 1.229 1
1 779 . 5 1 1 A 71 71 GLU N N 105 123.465 119.796 3.669 1
1 780 . 5 1 1 A 72 72 PHE H H 106 9.426 8.731 0.695 1
1 781 . 5 1 1 A 72 72 PHE HA H 106 4.230 4.129 0.101 1
1 789 . 5 1 1 A 72 72 PHE CA C 106 59.900 61.757 -1.857 1
1 790 . 5 1 1 A 72 72 PHE CB C 106 38.730 39.040 -0.310 1
1 796 . 5 1 1 A 72 72 PHE N N 106 120.806 122.185 -1.379 1
1 797 . 5 1 1 A 73 73 ALA H H 107 8.085 8.212 -0.127 1
1 798 . 5 1 1 A 73 73 ALA HA H 107 3.770 4.100 -0.330 1
1 802 . 5 1 1 A 73 73 ALA CA C 107 54.040 55.302 -1.262 1
1 803 . 5 1 1 A 73 73 ALA CB C 107 16.870 18.150 -1.280 1
1 804 . 5 1 1 A 73 73 ALA N N 107 126.845 121.239 5.606 1
1 805 . 5 1 1 A 74 74 LEU H H 108 8.431 8.076 0.355 1
1 806 . 5 1 1 A 74 74 LEU HA H 108 4.050 3.987 0.063 1
1 816 . 5 1 1 A 74 74 LEU CA C 108 56.960 57.340 -0.380 1
1 817 . 5 1 1 A 74 74 LEU CB C 108 41.600 41.612 -0.012 1
1 821 . 5 1 1 A 74 74 LEU N N 108 121.250 120.524 0.726 1
1 822 . 5 1 1 A 75 75 ALA H H 109 8.651 8.439 0.212 1
1 823 . 5 1 1 A 75 75 ALA HA H 109 3.657 3.954 -0.297 1
1 827 . 5 1 1 A 75 75 ALA CA C 109 54.770 55.456 -0.686 1
1 828 . 5 1 1 A 75 75 ALA CB C 109 16.110 18.227 -2.117 1
1 829 . 5 1 1 A 75 75 ALA N N 109 122.981 120.978 2.003 1
1 830 . 5 1 1 A 76 76 ASN H H 110 7.240 7.907 -0.667 1
1 831 . 5 1 1 A 76 76 ASN HA H 110 3.790 4.151 -0.361 1
1 836 . 5 1 1 A 76 76 ASN CA C 110 55.540 55.628 -0.088 1
1 837 . 5 1 1 A 76 76 ASN CB C 110 37.200 37.156 0.044 1
1 838 . 5 1 1 A 76 76 ASN N N 110 115.681 116.011 -0.330 1
1 840 . 5 1 1 A 77 77 HIS H H 111 8.345 8.097 0.248 1
1 841 . 5 1 1 A 77 77 HIS HA H 111 4.094 4.388 -0.294 1
1 846 . 5 1 1 A 77 77 HIS CA C 111 59.150 59.540 -0.390 1
1 847 . 5 1 1 A 77 77 HIS CB C 111 30.700 29.646 1.054 1
1 850 . 5 1 1 A 77 77 HIS N N 111 124.686 120.967 3.719 1
1 851 . 5 1 1 A 78 78 LEU H H 112 8.290 8.003 0.287 1
1 852 . 5 1 1 A 78 78 LEU HA H 112 3.810 3.900 -0.090 1
1 862 . 5 1 1 A 78 78 LEU CA C 112 56.200 57.833 -1.633 1
1 863 . 5 1 1 A 78 78 LEU CB C 112 41.600 41.394 0.206 1
1 867 . 5 1 1 A 78 78 LEU N N 112 119.085 119.410 -0.325 1
1 868 . 5 1 1 A 79 79 ILE H H 113 7.792 8.184 -0.392 1
1 869 . 5 1 1 A 79 79 ILE HA H 113 3.290 3.429 -0.139 1
1 879 . 5 1 1 A 79 79 ILE CA C 113 65.000 65.747 -0.747 1
1 880 . 5 1 1 A 79 79 ILE CB C 113 37.200 37.833 -0.633 1
1 884 . 5 1 1 A 79 79 ILE N N 113 121.304 119.849 1.455 1
1 885 . 5 1 1 A 80 80 LYS H H 114 7.546 7.836 -0.290 1
1 886 . 5 1 1 A 80 80 LYS HA H 114 3.820 3.991 -0.171 1
1 895 . 5 1 1 A 80 80 LYS CA C 114 59.100 59.379 -0.279 1
1 896 . 5 1 1 A 80 80 LYS CB C 114 30.700 32.300 -1.600 1
1 900 . 5 1 1 A 80 80 LYS N N 114 122.150 120.853 1.297 1
1 901 . 5 1 1 A 81 81 VAL H H 115 8.110 8.039 0.071 1
1 902 . 5 1 1 A 81 81 VAL HA H 115 3.740 3.730 0.010 1
1 910 . 5 1 1 A 81 81 VAL CA C 115 64.900 64.451 0.449 1
1 911 . 5 1 1 A 81 81 VAL CB C 115 30.720 30.983 -0.263 1
1 914 . 5 1 1 A 81 81 VAL N N 115 118.999 119.225 -0.226 1
1 915 . 5 1 1 A 82 82 LYS H H 116 7.853 7.962 -0.109 1
1 916 . 5 1 1 A 82 82 LYS HA H 116 4.540 4.116 0.424 1
1 925 . 5 1 1 A 82 82 LYS CA C 116 56.230 59.485 -3.255 1
1 926 . 5 1 1 A 82 82 LYS CB C 116 30.700 32.289 -1.589 1
1 930 . 5 1 1 A 82 82 LYS N N 116 123.030 121.390 1.640 1
1 931 . 5 1 1 A 83 83 LEU H H 117 8.959 8.083 0.876 1
1 932 . 5 1 1 A 83 83 LEU HA H 117 4.080 4.120 -0.040 1
1 942 . 5 1 1 A 83 83 LEU CA C 117 56.900 56.367 0.533 1
1 943 . 5 1 1 A 83 83 LEU CB C 117 40.920 41.595 -0.675 1
1 947 . 5 1 1 A 83 83 LEU N N 117 125.378 119.092 6.286 1
1 948 . 5 1 1 A 84 84 GLU H H 118 7.817 7.806 0.011 1
1 949 . 5 1 1 A 84 84 GLU HA H 118 4.150 4.478 -0.328 1
1 954 . 5 1 1 A 84 84 GLU CA C 118 56.200 56.197 0.003 1
1 955 . 5 1 1 A 84 84 GLU CB C 118 29.200 30.235 -1.035 1
1 957 . 5 1 1 A 84 84 GLU N N 118 119.766 118.052 1.714 1
1 958 . 5 1 1 A 85 85 GLY H H 119 7.862 8.024 -0.162 1
1 959 . 5 1 1 A 85 85 GLY HA2 H 119 3.640 3.888 -0.248 1
1 960 . 5 1 1 A 85 85 GLY HA3 H 119 4.140 3.901 0.239 1
1 961 . 5 1 1 A 85 85 GLY CA C 119 43.800 46.040 -2.240 1
1 962 . 5 1 1 A 85 85 GLY N N 119 107.902 108.814 -0.912 1
1 963 . 5 1 1 A 86 86 HIS H H 120 7.714 7.562 0.152 1
1 964 . 5 1 1 A 86 86 HIS HA H 120 4.680 4.886 -0.206 1
1 969 . 5 1 1 A 86 86 HIS CA C 120 54.000 55.335 -1.335 1
1 970 . 5 1 1 A 86 86 HIS CB C 120 30.000 32.740 -2.740 1
1 972 . 5 1 1 A 86 86 HIS N N 120 122.124 116.951 5.173 1
1 973 . 5 1 1 A 87 87 GLU H H 121 8.491 9.034 -0.543 1
1 974 . 5 1 1 A 87 87 GLU HA H 121 4.300 5.021 -0.721 1
1 979 . 5 1 1 A 87 87 GLU CA C 121 54.040 54.938 -0.898 1
1 980 . 5 1 1 A 87 87 GLU CB C 121 29.240 33.086 -3.846 1
1 982 . 5 1 1 A 87 87 GLU N N 121 121.826 122.126 -0.300 1
1 983 . 5 1 1 A 88 88 LEU H H 122 8.672 8.979 -0.307 1
1 984 . 5 1 1 A 88 88 LEU HA H 122 4.410 4.977 -0.567 1
1 994 . 5 1 1 A 88 88 LEU CA C 122 51.130 52.413 -1.283 1
1 995 . 5 1 1 A 88 88 LEU CB C 122 40.200 42.597 -2.397 1
1 999 . 5 1 1 A 88 88 LEU N N 122 125.316 124.594 0.722 1
1 1000 . 5 1 1 A 89 89 PRO HA H 123 4.560 4.403 0.157 1
1 1007 . 5 1 1 A 89 89 PRO CA C 123 61.340 63.988 -2.648 1
1 1008 . 5 1 1 A 89 89 PRO CB C 123 30.700 31.977 -1.277 1
1 1011 . 5 1 1 A 90 90 ALA H H 124 8.464 8.027 0.437 1
1 1012 . 5 1 1 A 90 90 ALA HA H 124 4.063 3.952 0.111 1
1 1016 . 5 1 1 A 90 90 ALA CA C 124 53.320 53.619 -0.299 1
1 1017 . 5 1 1 A 90 90 ALA CB C 124 18.300 17.920 0.380 1
1 1018 . 5 1 1 A 90 90 ALA N N 124 123.603 119.966 3.637 1
1 1019 . 5 1 1 A 91 91 ASP H H 125 7.482 7.874 -0.392 1
1 1020 . 5 1 1 A 91 91 ASP HA H 125 4.640 5.138 -0.498 1
1 1023 . 5 1 1 A 91 91 ASP CA C 125 50.430 52.955 -2.525 1
1 1024 . 5 1 1 A 91 91 ASP CB C 125 43.100 42.913 0.187 1
1 1025 . 5 1 1 A 91 91 ASP N N 125 115.317 117.453 -2.136 1
1 1026 . 5 1 1 A 92 92 LEU H H 126 8.883 8.796 0.087 1
1 1027 . 5 1 1 A 92 92 LEU HA H 126 4.189 4.974 -0.785 1
1 1037 . 5 1 1 A 92 92 LEU CA C 126 52.500 51.257 1.243 1
1 1038 . 5 1 1 A 92 92 LEU CB C 126 41.600 43.334 -1.734 1
1 1042 . 5 1 1 A 92 92 LEU N N 126 125.329 124.119 1.210 1
1 1043 . 5 1 1 A 93 93 PRO HA H 127 4.860 4.549 0.311 1
1 1050 . 5 1 1 A 93 93 PRO CA C 127 59.800 61.913 -2.113 1
1 1051 . 5 1 1 A 93 93 PRO CB C 127 29.970 32.431 -2.461 1
1 1054 . 5 1 1 A 94 94 PRO HA H 128 4.210 4.227 -0.017 1
1 1061 . 5 1 1 A 94 94 PRO CA C 128 65.000 65.267 -0.267 1
1 1062 . 5 1 1 A 94 94 PRO CB C 128 31.430 31.845 -0.415 1
1 1065 . 5 1 1 A 95 95 HIS H H 129 7.922 8.331 -0.409 1
1 1066 . 5 1 1 A 95 95 HIS HA H 129 4.640 4.547 0.093 1
1 1071 . 5 1 1 A 95 95 HIS CA C 129 56.900 56.418 0.482 1
1 1072 . 5 1 1 A 95 95 HIS CB C 129 28.550 29.654 -1.104 1
1 1075 . 5 1 1 A 95 95 HIS N N 129 112.757 114.292 -1.535 1
1 1076 . 5 1 1 A 96 96 LEU H H 130 7.717 7.468 0.249 1
1 1077 . 5 1 1 A 96 96 LEU HA H 130 4.640 4.590 0.050 1
1 1087 . 5 1 1 A 96 96 LEU CA C 130 53.300 54.236 -0.936 1
1 1088 . 5 1 1 A 96 96 LEU CB C 130 42.370 42.363 0.007 1
1 1092 . 5 1 1 A 96 96 LEU N N 130 121.128 119.078 2.050 1
1 1093 . 5 1 1 A 97 97 VAL H H 131 7.184 7.398 -0.214 1
1 1094 . 5 1 1 A 97 97 VAL HA H 131 3.730 4.089 -0.359 1
1 1102 . 5 1 1 A 97 97 VAL CA C 131 60.640 60.679 -0.039 1
1 1103 . 5 1 1 A 97 97 VAL CB C 131 31.420 32.093 -0.673 1
1 1106 . 5 1 1 A 97 97 VAL N N 131 125.572 121.739 3.833 1
1 1107 . 5 1 1 A 98 98 PRO HA H 132 2.680 2.897 -0.217 1
1 1114 . 5 1 1 A 98 98 PRO CA C 132 59.880 61.176 -1.296 1
1 1115 . 5 1 1 A 98 98 PRO CB C 132 30.700 31.891 -1.191 1
1 1118 . 5 1 1 A 99 99 PRO HA H 133 3.600 4.124 -0.524 1
1 1125 . 5 1 1 A 99 99 PRO CA C 133 64.990 65.619 -0.629 1
1 1126 . 5 1 1 A 99 99 PRO CB C 133 31.400 31.459 -0.059 1
1 1129 . 5 1 1 A 100 100 SER H H 134 9.200 8.163 1.037 1
1 1130 . 5 1 1 A 100 100 SER HA H 134 4.150 4.362 -0.212 1
1 1133 . 5 1 1 A 100 100 SER CA C 134 59.880 58.636 1.244 1
1 1134 . 5 1 1 A 100 100 SER CB C 134 61.340 62.935 -1.595 1
1 1135 . 5 1 1 A 100 100 SER N N 134 115.005 110.787 4.218 1
1 1136 . 5 1 1 A 101 101 LYS H H 135 7.867 7.400 0.467 1
1 1137 . 5 1 1 A 101 101 LYS HA H 135 4.447 4.525 -0.078 1
1 1146 . 5 1 1 A 101 101 LYS CA C 135 52.600 55.412 -2.812 1
1 1147 . 5 1 1 A 101 101 LYS CB C 135 30.700 33.378 -2.678 1
1 1151 . 5 1 1 A 101 101 LYS N N 135 121.053 119.122 1.931 1
1 1152 . 5 1 1 A 102 102 ARG H H 136 7.077 7.305 -0.228 1
1 1153 . 5 1 1 A 102 102 ARG HA H 136 4.100 4.734 -0.634 1
1 1164 . 5 1 1 A 102 102 ARG CA C 136 55.500 55.366 0.134 1
1 1165 . 5 1 1 A 102 102 ARG CB C 136 30.000 31.884 -1.884 1
1 1168 . 5 1 1 A 102 102 ARG N N 136 121.939 116.848 5.091 1
1 1169 . 5 1 1 A 103 103 ARG H H 137 8.289 8.494 -0.205 1
1 1170 . 5 1 1 A 103 103 ARG HA H 137 4.290 4.572 -0.282 1
1 1181 . 5 1 1 A 103 103 ARG CA C 137 54.770 55.594 -0.824 1
1 1182 . 5 1 1 A 103 103 ARG CB C 137 30.000 30.878 -0.878 1
1 1185 . 5 1 1 A 103 103 ARG N N 137 123.504 122.624 0.880 1
1 1186 . 5 1 1 A 104 104 HIS H H 138 8.370 8.856 -0.486 1
1 1187 . 5 1 1 A 104 104 HIS HA H 138 4.660 5.295 -0.635 1
1 1192 . 5 1 1 A 104 104 HIS CA C 138 54.040 53.706 0.334 1
1 1193 . 5 1 1 A 104 104 HIS CB C 138 29.240 32.626 -3.386 1
1 1 . 6 1 1 A 7 7 ASP H H 41 8.479 8.842 -0.363 1
1 2 . 6 1 1 A 7 7 ASP HA H 41 4.595 5.240 -0.645 1
1 5 . 6 1 1 A 7 7 ASP CA C 41 52.900 53.058 -0.158 1
1 6 . 6 1 1 A 7 7 ASP CB C 41 39.760 43.960 -4.200 1
1 7 . 6 1 1 A 7 7 ASP N N 41 124.447 126.978 -2.531 1
1 8 . 6 1 1 A 8 8 VAL H H 42 7.916 8.936 -1.020 1
1 9 . 6 1 1 A 8 8 VAL HA H 42 4.140 4.979 -0.839 1
1 17 . 6 1 1 A 8 8 VAL CA C 42 60.610 59.400 1.210 1
1 18 . 6 1 1 A 8 8 VAL CB C 42 32.160 35.607 -3.447 1
1 21 . 6 1 1 A 8 8 VAL N N 42 120.853 124.800 -3.947 1
1 22 . 6 1 1 A 9 9 GLU H H 43 8.476 8.540 -0.064 1
1 23 . 6 1 1 A 9 9 GLU HA H 43 4.290 4.547 -0.257 1
1 28 . 6 1 1 A 9 9 GLU CA C 43 55.500 56.003 -0.503 1
1 29 . 6 1 1 A 9 9 GLU CB C 43 29.400 31.028 -1.628 1
1 31 . 6 1 1 A 9 9 GLU N N 43 127.650 127.303 0.347 1
1 32 . 6 1 1 A 10 10 TRP H H 44 8.839 8.654 0.185 1
1 33 . 6 1 1 A 10 10 TRP HA H 44 5.220 4.878 0.342 1
1 42 . 6 1 1 A 10 10 TRP CA C 44 54.040 55.880 -1.840 1
1 43 . 6 1 1 A 10 10 TRP CB C 44 27.800 29.781 -1.981 1
1 49 . 6 1 1 A 10 10 TRP N N 44 126.378 128.550 -2.172 1
1 50 . 6 1 1 A 11 11 VAL H H 45 9.230 8.260 0.970 1
1 51 . 6 1 1 A 11 11 VAL HA H 45 3.891 3.843 0.048 1
1 59 . 6 1 1 A 11 11 VAL CA C 45 63.530 64.336 -0.806 1
1 60 . 6 1 1 A 11 11 VAL CB C 45 30.700 31.657 -0.957 1
1 63 . 6 1 1 A 11 11 VAL N N 45 131.353 127.293 4.060 1
1 64 . 6 1 1 A 12 12 VAL H H 46 5.000 6.876 -1.876 1
1 65 . 6 1 1 A 12 12 VAL HA H 46 3.033 2.864 0.169 1
1 73 . 6 1 1 A 12 12 VAL CA C 46 60.650 65.445 -4.795 1
1 74 . 6 1 1 A 12 12 VAL CB C 46 29.280 30.316 -1.036 1
1 77 . 6 1 1 A 13 13 GLY H H 47 7.330 8.085 -0.755 1
1 78 . 6 1 1 A 13 13 GLY HA2 H 47 3.580 3.847 -0.267 1
1 79 . 6 1 1 A 13 13 GLY HA3 H 47 4.180 3.948 0.232 1
1 80 . 6 1 1 A 13 13 GLY CA C 47 46.760 46.464 0.296 1
1 81 . 6 1 1 A 14 14 LYS H H 48 7.570 8.637 -1.067 1
1 82 . 6 1 1 A 14 14 LYS HA H 48 4.065 4.108 -0.043 1
1 91 . 6 1 1 A 14 14 LYS CA C 48 57.700 58.416 -0.716 1
1 92 . 6 1 1 A 14 14 LYS CB C 48 30.700 31.273 -0.573 1
1 96 . 6 1 1 A 14 14 LYS N N 48 121.084 117.542 3.542 1
1 97 . 6 1 1 A 15 15 ASP H H 49 7.309 7.298 0.011 1
1 98 . 6 1 1 A 15 15 ASP HA H 49 4.778 4.723 0.055 1
1 101 . 6 1 1 A 15 15 ASP CA C 49 52.880 52.299 0.581 1
1 102 . 6 1 1 A 15 15 ASP CB C 49 42.300 41.478 0.822 1
1 103 . 6 1 1 A 15 15 ASP N N 49 118.181 119.447 -1.266 1
1 104 . 6 1 1 A 16 16 LYS H H 50 7.506 7.979 -0.473 1
1 105 . 6 1 1 A 16 16 LYS HA H 50 4.061 4.006 0.055 1
1 114 . 6 1 1 A 16 16 LYS CA C 50 60.610 61.264 -0.654 1
1 115 . 6 1 1 A 16 16 LYS CB C 50 30.700 30.974 -0.274 1
1 119 . 6 1 1 A 16 16 LYS N N 50 123.633 122.868 0.765 1
1 120 . 6 1 1 A 17 17 PRO HA H 51 4.430 4.188 0.242 1
1 127 . 6 1 1 A 17 17 PRO CA C 51 65.720 66.206 -0.486 1
1 128 . 6 1 1 A 17 17 PRO CB C 51 29.970 30.570 -0.600 1
1 131 . 6 1 1 A 18 18 THR H H 52 7.280 7.447 -0.167 1
1 132 . 6 1 1 A 18 18 THR HA H 52 3.970 3.988 -0.018 1
1 137 . 6 1 1 A 18 18 THR CA C 52 64.990 65.216 -0.226 1
1 138 . 6 1 1 A 18 18 THR CB C 52 67.170 68.130 -0.960 1
1 140 . 6 1 1 A 18 18 THR N N 52 115.095 110.199 4.896 1
1 141 . 6 1 1 A 19 19 TYR H H 53 7.083 7.059 0.024 1
1 142 . 6 1 1 A 19 19 TYR HA H 53 4.716 4.378 0.338 1
1 149 . 6 1 1 A 19 19 TYR CA C 53 57.400 62.080 -4.680 1
1 150 . 6 1 1 A 19 19 TYR CB C 53 35.800 37.168 -1.368 1
1 155 . 6 1 1 A 19 19 TYR N N 53 125.380 119.611 5.769 1
1 156 . 6 1 1 A 20 20 ASP H H 54 9.596 8.813 0.783 1
1 157 . 6 1 1 A 20 20 ASP HA H 54 4.492 4.422 0.070 1
1 160 . 6 1 1 A 20 20 ASP CA C 54 56.200 57.550 -1.350 1
1 161 . 6 1 1 A 20 20 ASP CB C 54 38.730 40.791 -2.061 1
1 162 . 6 1 1 A 20 20 ASP N N 54 124.548 121.994 2.554 1
1 163 . 6 1 1 A 21 21 GLU H H 55 7.309 8.057 -0.748 1
1 164 . 6 1 1 A 21 21 GLU HA H 55 4.140 4.060 0.080 1
1 169 . 6 1 1 A 21 21 GLU CA C 55 58.420 59.172 -0.752 1
1 170 . 6 1 1 A 21 21 GLU CB C 55 29.250 29.647 -0.397 1
1 172 . 6 1 1 A 21 21 GLU N N 55 118.181 119.323 -1.142 1
1 173 . 6 1 1 A 22 22 ILE H H 56 7.249 7.810 -0.561 1
1 174 . 6 1 1 A 22 22 ILE HA H 56 3.940 3.758 0.182 1
1 184 . 6 1 1 A 22 22 ILE CA C 56 62.870 65.528 -2.658 1
1 185 . 6 1 1 A 22 22 ILE CB C 56 38.000 38.245 -0.245 1
1 189 . 6 1 1 A 22 22 ILE N N 56 118.978 120.549 -1.571 1
1 190 . 6 1 1 A 23 23 PHE H H 57 9.117 8.952 0.165 1
1 191 . 6 1 1 A 23 23 PHE HA H 57 3.090 4.212 -1.122 1
1 199 . 6 1 1 A 23 23 PHE CA C 57 61.300 61.437 -0.137 1
1 200 . 6 1 1 A 23 23 PHE CB C 57 38.730 39.807 -1.077 1
1 206 . 6 1 1 A 23 23 PHE N N 57 127.639 121.301 6.338 1
1 207 . 6 1 1 A 24 24 TYR H H 58 7.922 7.972 -0.050 1
1 208 . 6 1 1 A 24 24 TYR HA H 58 3.990 4.323 -0.333 1
1 215 . 6 1 1 A 24 24 TYR CA C 58 60.610 60.258 0.352 1
1 216 . 6 1 1 A 24 24 TYR CB C 58 36.540 38.251 -1.711 1
1 221 . 6 1 1 A 24 24 TYR N N 58 112.757 113.439 -0.682 1
1 222 . 6 1 1 A 25 25 THR H H 59 8.081 7.948 0.133 1
1 223 . 6 1 1 A 25 25 THR HA H 59 4.640 4.467 0.173 1
1 229 . 6 1 1 A 25 25 THR CA C 59 62.070 63.110 -1.040 1
1 230 . 6 1 1 A 25 25 THR CB C 59 68.630 69.641 -1.011 1
1 232 . 6 1 1 A 25 25 THR N N 59 112.676 109.967 2.709 1
1 233 . 6 1 1 A 26 26 LEU H H 60 7.373 7.162 0.211 1
1 234 . 6 1 1 A 26 26 LEU HA H 60 4.460 4.319 0.141 1
1 244 . 6 1 1 A 26 26 LEU CA C 60 52.600 54.390 -1.790 1
1 245 . 6 1 1 A 26 26 LEU CB C 60 39.400 41.688 -2.288 1
1 249 . 6 1 1 A 26 26 LEU N N 60 125.808 120.479 5.329 1
1 250 . 6 1 1 A 27 27 SER H H 61 7.860 7.901 -0.041 1
1 251 . 6 1 1 A 27 27 SER HA H 61 3.980 4.075 -0.095 1
1 254 . 6 1 1 A 27 27 SER CA C 61 56.960 58.549 -1.589 1
1 255 . 6 1 1 A 27 27 SER CB C 61 60.640 61.797 -1.157 1
1 256 . 6 1 1 A 27 27 SER N N 61 111.582 113.139 -1.557 1
1 257 . 6 1 1 A 28 28 PRO HA H 62 4.190 4.304 -0.114 1
1 264 . 6 1 1 A 28 28 PRO CA C 62 62.070 62.003 0.067 1
1 265 . 6 1 1 A 28 28 PRO CB C 62 29.970 32.073 -2.103 1
1 268 . 6 1 1 A 29 29 VAL H H 63 8.744 8.797 -0.053 1
1 269 . 6 1 1 A 29 29 VAL HA H 63 4.180 4.391 -0.211 1
1 277 . 6 1 1 A 29 29 VAL CA C 63 60.640 61.163 -0.523 1
1 278 . 6 1 1 A 29 29 VAL CB C 63 33.620 32.106 1.514 1
1 281 . 6 1 1 A 29 29 VAL N N 63 124.299 123.256 1.043 1
1 282 . 6 1 1 A 30 30 ASN H H 64 9.713 9.485 0.228 1
1 283 . 6 1 1 A 30 30 ASN HA H 64 4.410 4.458 -0.048 1
1 288 . 6 1 1 A 30 30 ASN CA C 64 53.320 54.542 -1.222 1
1 289 . 6 1 1 A 30 30 ASN CB C 64 36.540 37.059 -0.519 1
1 290 . 6 1 1 A 30 30 ASN N N 64 129.729 127.744 1.985 1
1 292 . 6 1 1 A 31 31 GLY H H 65 8.862 8.580 0.282 1
1 293 . 6 1 1 A 31 31 GLY HA2 H 65 3.770 3.951 -0.181 1
1 294 . 6 1 1 A 31 31 GLY HA3 H 65 4.250 4.095 0.155 1
1 295 . 6 1 1 A 31 31 GLY CA C 65 44.560 45.645 -1.085 1
1 296 . 6 1 1 A 31 31 GLY N N 65 130.641 104.605 26.036 1
1 297 . 6 1 1 A 32 32 LYS H H 66 7.501 7.758 -0.257 1
1 298 . 6 1 1 A 32 32 LYS HA H 66 5.400 5.126 0.274 1
1 307 . 6 1 1 A 32 32 LYS CA C 66 54.040 54.408 -0.368 1
1 308 . 6 1 1 A 32 32 LYS CB C 66 36.540 35.983 0.557 1
1 312 . 6 1 1 A 32 32 LYS N N 66 118.738 119.931 -1.193 1
1 313 . 6 1 1 A 33 33 ILE H H 67 9.230 9.276 -0.046 1
1 314 . 6 1 1 A 33 33 ILE HA H 67 5.010 4.713 0.297 1
1 324 . 6 1 1 A 33 33 ILE CA C 67 57.690 59.461 -1.771 1
1 325 . 6 1 1 A 33 33 ILE CB C 67 40.190 39.715 0.475 1
1 329 . 6 1 1 A 33 33 ILE N N 67 118.166 119.934 -1.768 1
1 330 . 6 1 1 A 34 34 THR H H 68 8.262 7.964 0.298 1
1 331 . 6 1 1 A 34 34 THR HA H 68 4.530 4.658 -0.128 1
1 337 . 6 1 1 A 34 34 THR CA C 68 59.100 60.263 -1.163 1
1 338 . 6 1 1 A 34 34 THR CB C 68 70.000 71.225 -1.225 1
1 340 . 6 1 1 A 34 34 THR N N 68 111.971 113.594 -1.623 1
1 341 . 6 1 1 A 35 35 GLY H H 69 9.000 8.847 0.153 1
1 342 . 6 1 1 A 35 35 GLY HA2 H 69 3.540 3.789 -0.249 1
1 343 . 6 1 1 A 35 35 GLY HA3 H 69 3.830 3.983 -0.153 1
1 344 . 6 1 1 A 35 35 GLY CA C 69 47.480 46.727 0.753 1
1 345 . 6 1 1 A 35 35 GLY N N 69 110.304 109.281 1.023 1
1 346 . 6 1 1 A 36 36 ALA H H 70 8.336 7.921 0.415 1
1 347 . 6 1 1 A 36 36 ALA HA H 70 3.880 3.981 -0.101 1
1 351 . 6 1 1 A 36 36 ALA CA C 70 54.040 54.510 -0.470 1
1 352 . 6 1 1 A 36 36 ALA CB C 70 17.570 18.389 -0.819 1
1 353 . 6 1 1 A 36 36 ALA N N 70 123.822 124.249 -0.427 1
1 354 . 6 1 1 A 37 37 ASN H H 71 7.560 7.804 -0.244 1
1 355 . 6 1 1 A 37 37 ASN HA H 71 4.680 4.547 0.133 1
1 360 . 6 1 1 A 37 37 ASN CA C 71 54.040 55.644 -1.604 1
1 361 . 6 1 1 A 37 37 ASN CB C 71 36.500 37.998 -1.498 1
1 362 . 6 1 1 A 37 37 ASN N N 71 118.643 117.681 0.962 1
1 364 . 6 1 1 A 38 38 ALA H H 72 8.810 8.389 0.421 1
1 365 . 6 1 1 A 38 38 ALA HA H 72 4.100 4.203 -0.103 1
1 369 . 6 1 1 A 38 38 ALA CA C 72 54.770 55.135 -0.365 1
1 370 . 6 1 1 A 38 38 ALA CB C 72 18.240 19.346 -1.106 1
1 371 . 6 1 1 A 38 38 ALA N N 72 123.731 122.065 1.666 1
1 372 . 6 1 1 A 39 39 LYS H H 73 8.837 8.192 0.645 1
1 373 . 6 1 1 A 39 39 LYS HA H 73 3.940 3.951 -0.011 1
1 382 . 6 1 1 A 39 39 LYS CA C 73 59.130 59.889 -0.759 1
1 383 . 6 1 1 A 39 39 LYS CB C 73 31.430 32.704 -1.274 1
1 387 . 6 1 1 A 39 39 LYS N N 73 120.046 118.489 1.557 1
1 388 . 6 1 1 A 40 40 LYS H H 74 7.319 7.978 -0.659 1
1 389 . 6 1 1 A 40 40 LYS HA H 74 3.990 3.950 0.040 1
1 398 . 6 1 1 A 40 40 LYS CA C 74 58.470 60.179 -1.709 1
1 399 . 6 1 1 A 40 40 LYS CB C 74 31.430 32.203 -0.773 1
1 403 . 6 1 1 A 40 40 LYS N N 74 118.778 118.062 0.716 1
1 404 . 6 1 1 A 41 41 GLU H H 75 7.111 8.138 -1.027 1
1 405 . 6 1 1 A 41 41 GLU HA H 75 4.420 4.151 0.269 1
1 410 . 6 1 1 A 41 41 GLU CA C 75 56.200 59.462 -3.262 1
1 411 . 6 1 1 A 41 41 GLU CB C 75 29.240 29.723 -0.483 1
1 413 . 6 1 1 A 41 41 GLU N N 75 117.703 119.935 -2.232 1
1 414 . 6 1 1 A 42 42 MET H H 76 8.603 8.529 0.074 1
1 415 . 6 1 1 A 42 42 MET HA H 76 4.010 4.336 -0.326 1
1 423 . 6 1 1 A 42 42 MET CA C 76 59.100 58.797 0.303 1
1 424 . 6 1 1 A 42 42 MET CB C 76 33.620 31.611 2.009 1
1 427 . 6 1 1 A 42 42 MET N N 76 121.344 118.774 2.570 1
1 428 . 6 1 1 A 43 43 VAL H H 77 8.661 8.264 0.397 1
1 429 . 6 1 1 A 43 43 VAL HA H 77 4.063 3.674 0.389 1
1 437 . 6 1 1 A 43 43 VAL CA C 77 63.530 66.835 -3.305 1
1 438 . 6 1 1 A 43 43 VAL CB C 77 30.700 31.491 -0.791 1
1 441 . 6 1 1 A 43 43 VAL N N 77 117.339 120.484 -3.145 1
1 442 . 6 1 1 A 44 44 LYS H H 78 7.464 8.243 -0.779 1
1 443 . 6 1 1 A 44 44 LYS HA H 78 4.110 4.235 -0.125 1
1 452 . 6 1 1 A 44 44 LYS CA C 78 58.400 59.182 -0.782 1
1 453 . 6 1 1 A 44 44 LYS CB C 78 31.430 32.251 -0.821 1
1 457 . 6 1 1 A 44 44 LYS N N 78 124.308 120.544 3.764 1
1 458 . 6 1 1 A 45 45 SER H H 79 7.534 7.636 -0.102 1
1 459 . 6 1 1 A 45 45 SER HA H 79 4.071 4.530 -0.459 1
1 462 . 6 1 1 A 45 45 SER CA C 79 59.880 58.464 1.416 1
1 463 . 6 1 1 A 45 45 SER CB C 79 65.000 63.373 1.627 1
1 464 . 6 1 1 A 45 45 SER N N 79 114.575 113.061 1.514 1
1 465 . 6 1 1 A 46 46 LYS H H 80 7.822 7.850 -0.028 1
1 466 . 6 1 1 A 46 46 LYS HA H 80 3.930 3.995 -0.065 1
1 475 . 6 1 1 A 46 46 LYS CA C 80 57.000 57.160 -0.160 1
1 476 . 6 1 1 A 46 46 LYS CB C 80 28.510 30.043 -1.533 1
1 480 . 6 1 1 A 46 46 LYS N N 80 114.855 119.815 -4.960 1
1 481 . 6 1 1 A 47 47 LEU H H 81 7.505 7.837 -0.332 1
1 482 . 6 1 1 A 47 47 LEU HA H 81 4.470 4.618 -0.148 1
1 492 . 6 1 1 A 47 47 LEU CA C 81 52.600 52.455 0.145 1
1 493 . 6 1 1 A 47 47 LEU CB C 81 40.920 41.787 -0.867 1
1 497 . 6 1 1 A 47 47 LEU N N 81 122.848 121.190 1.658 1
1 498 . 6 1 1 A 48 48 PRO HA H 82 4.510 4.575 -0.065 1
1 505 . 6 1 1 A 48 48 PRO CA C 82 61.340 62.882 -1.542 1
1 506 . 6 1 1 A 48 48 PRO CB C 82 32.100 32.746 -0.646 1
1 509 . 6 1 1 A 49 49 ASN H H 83 7.580 8.818 -1.238 1
1 510 . 6 1 1 A 49 49 ASN HA H 83 4.240 4.422 -0.182 1
1 515 . 6 1 1 A 49 49 ASN CA C 83 56.200 55.963 0.237 1
1 516 . 6 1 1 A 49 49 ASN CB C 83 37.270 37.425 -0.155 1
1 518 . 6 1 1 A 50 50 THR H H 84 7.010 7.999 -0.989 1
1 519 . 6 1 1 A 50 50 THR HA H 84 4.030 3.812 0.218 1
1 524 . 6 1 1 A 50 50 THR CA C 84 63.500 67.172 -3.672 1
1 525 . 6 1 1 A 50 50 THR CB C 84 67.170 68.698 -1.528 1
1 527 . 6 1 1 A 51 51 VAL H H 85 6.887 7.706 -0.819 1
1 528 . 6 1 1 A 51 51 VAL HA H 85 3.650 3.599 0.051 1
1 536 . 6 1 1 A 51 51 VAL CA C 85 64.200 66.519 -2.319 1
1 537 . 6 1 1 A 51 51 VAL CB C 85 30.700 31.507 -0.807 1
1 540 . 6 1 1 A 51 51 VAL N N 85 125.031 121.595 3.436 1
1 541 . 6 1 1 A 52 52 LEU H H 86 8.043 8.484 -0.441 1
1 542 . 6 1 1 A 52 52 LEU HA H 86 3.730 4.064 -0.334 1
1 552 . 6 1 1 A 52 52 LEU CA C 86 56.960 58.523 -1.563 1
1 553 . 6 1 1 A 52 52 LEU CB C 86 39.430 41.832 -2.402 1
1 557 . 6 1 1 A 52 52 LEU N N 86 121.307 120.808 0.499 1
1 558 . 6 1 1 A 53 53 GLY H H 87 8.420 8.410 0.010 1
1 559 . 6 1 1 A 53 53 GLY HA2 H 87 3.890 3.666 0.224 1
1 560 . 6 1 1 A 53 53 GLY HA3 H 87 3.980 3.709 0.271 1
1 561 . 6 1 1 A 53 53 GLY CA C 87 46.020 47.323 -1.303 1
1 562 . 6 1 1 A 53 53 GLY N N 87 108.274 105.849 2.425 1
1 563 . 6 1 1 A 54 54 LYS H H 88 7.327 7.974 -0.647 1
1 564 . 6 1 1 A 54 54 LYS HA H 88 4.130 4.023 0.107 1
1 573 . 6 1 1 A 54 54 LYS CA C 88 58.420 59.524 -1.104 1
1 574 . 6 1 1 A 54 54 LYS CB C 88 31.430 32.379 -0.949 1
1 578 . 6 1 1 A 54 54 LYS N N 88 125.389 121.890 3.499 1
1 579 . 6 1 1 A 55 55 ILE H H 89 8.075 8.307 -0.232 1
1 580 . 6 1 1 A 55 55 ILE HA H 89 3.470 3.729 -0.259 1
1 590 . 6 1 1 A 55 55 ILE CA C 89 65.720 64.836 0.884 1
1 591 . 6 1 1 A 55 55 ILE CB C 89 36.540 37.328 -0.788 1
1 595 . 6 1 1 A 55 55 ILE N N 89 122.261 119.771 2.490 1
1 596 . 6 1 1 A 56 56 TRP H H 90 8.706 8.563 0.143 1
1 597 . 6 1 1 A 56 56 TRP HA H 90 3.810 4.154 -0.344 1
1 606 . 6 1 1 A 56 56 TRP CA C 90 60.610 60.572 0.038 1
1 607 . 6 1 1 A 56 56 TRP CB C 90 27.790 29.677 -1.887 1
1 613 . 6 1 1 A 56 56 TRP N N 90 121.947 122.767 -0.820 1
1 615 . 6 1 1 A 57 57 LYS H H 91 7.581 8.254 -0.673 1
1 616 . 6 1 1 A 57 57 LYS HA H 91 3.960 4.146 -0.186 1
1 625 . 6 1 1 A 57 57 LYS CA C 91 58.420 59.570 -1.150 1
1 626 . 6 1 1 A 57 57 LYS CB C 91 31.430 32.198 -0.768 1
1 630 . 6 1 1 A 57 57 LYS N N 91 116.801 119.321 -2.520 1
1 631 . 6 1 1 A 58 58 LEU H H 92 7.571 8.119 -0.548 1
1 632 . 6 1 1 A 58 58 LEU HA H 92 3.990 4.150 -0.160 1
1 642 . 6 1 1 A 58 58 LEU CA C 92 56.200 57.177 -0.977 1
1 643 . 6 1 1 A 58 58 LEU CB C 92 43.100 41.391 1.709 1
1 647 . 6 1 1 A 58 58 LEU N N 92 119.520 119.329 0.191 1
1 648 . 6 1 1 A 59 59 ALA H H 93 8.135 7.419 0.716 1
1 649 . 6 1 1 A 59 59 ALA HA H 93 4.120 4.323 -0.203 1
1 653 . 6 1 1 A 59 59 ALA CA C 93 52.590 53.650 -1.060 1
1 654 . 6 1 1 A 59 59 ALA CB C 93 18.300 19.271 -0.971 1
1 655 . 6 1 1 A 59 59 ALA N N 93 120.126 119.643 0.483 1
1 656 . 6 1 1 A 60 60 ASP H H 94 7.530 8.253 -0.723 1
1 657 . 6 1 1 A 60 60 ASP HA H 94 4.540 4.330 0.210 1
1 660 . 6 1 1 A 60 60 ASP CA C 94 51.100 53.711 -2.611 1
1 661 . 6 1 1 A 60 60 ASP CB C 94 35.840 39.767 -3.927 1
1 662 . 6 1 1 A 60 60 ASP N N 94 115.380 117.178 -1.798 1
1 663 . 6 1 1 A 61 61 VAL H H 95 8.340 8.200 0.140 1
1 664 . 6 1 1 A 61 61 VAL HA H 95 3.500 3.820 -0.320 1
1 672 . 6 1 1 A 61 61 VAL CA C 95 65.000 66.173 -1.173 1
1 673 . 6 1 1 A 61 61 VAL CB C 95 31.430 31.714 -0.284 1
1 676 . 6 1 1 A 61 61 VAL N N 95 129.560 124.676 4.884 1
1 677 . 6 1 1 A 62 62 ASP H H 96 7.927 7.948 -0.021 1
1 678 . 6 1 1 A 62 62 ASP HA H 96 4.530 4.548 -0.018 1
1 681 . 6 1 1 A 62 62 ASP CA C 96 51.800 53.737 -1.937 1
1 682 . 6 1 1 A 62 62 ASP CB C 96 38.700 40.738 -2.038 1
1 683 . 6 1 1 A 62 62 ASP N N 96 115.789 117.425 -1.636 1
1 684 . 6 1 1 A 63 63 LYS H H 97 7.551 7.750 -0.199 1
1 685 . 6 1 1 A 63 63 LYS HA H 97 3.860 4.472 -0.612 1
1 694 . 6 1 1 A 63 63 LYS CA C 97 56.960 57.386 -0.426 1
1 695 . 6 1 1 A 63 63 LYS CB C 97 28.520 29.271 -0.751 1
1 699 . 6 1 1 A 63 63 LYS N N 97 115.740 115.253 0.487 1
1 700 . 6 1 1 A 64 64 ASP H H 98 8.363 8.291 0.072 1
1 701 . 6 1 1 A 64 64 ASP HA H 98 4.660 4.712 -0.052 1
1 704 . 6 1 1 A 64 64 ASP CA C 98 52.600 53.003 -0.403 1
1 705 . 6 1 1 A 64 64 ASP CB C 98 40.190 40.533 -0.343 1
1 706 . 6 1 1 A 64 64 ASP N N 98 120.463 118.543 1.920 1
1 707 . 6 1 1 A 65 65 GLY H H 99 10.641 8.546 2.095 1
1 708 . 6 1 1 A 65 65 GLY HA2 H 99 3.850 4.035 -0.185 1
1 709 . 6 1 1 A 65 65 GLY HA3 H 99 4.322 4.277 0.045 1
1 710 . 6 1 1 A 65 65 GLY CA C 99 44.800 46.196 -1.396 1
1 711 . 6 1 1 A 65 65 GLY N N 99 115.730 111.430 4.300 1
1 712 . 6 1 1 A 66 66 LEU H H 100 8.157 7.905 0.252 1
1 713 . 6 1 1 A 66 66 LEU HA H 100 5.120 5.151 -0.031 1
1 723 . 6 1 1 A 66 66 LEU CA C 100 52.600 53.123 -0.523 1
1 724 . 6 1 1 A 66 66 LEU CB C 100 44.600 45.867 -1.267 1
1 728 . 6 1 1 A 66 66 LEU N N 100 123.435 121.794 1.641 1
1 729 . 6 1 1 A 67 67 LEU H H 101 8.687 9.227 -0.540 1
1 730 . 6 1 1 A 67 67 LEU HA H 101 5.800 5.033 0.767 1
1 740 . 6 1 1 A 67 67 LEU CA C 101 51.860 53.738 -1.878 1
1 741 . 6 1 1 A 67 67 LEU CB C 101 42.370 43.108 -0.738 1
1 745 . 6 1 1 A 67 67 LEU N N 101 121.109 122.701 -1.592 1
1 746 . 6 1 1 A 68 68 ASP H H 102 9.229 8.240 0.989 1
1 747 . 6 1 1 A 68 68 ASP HA H 102 5.610 5.263 0.347 1
1 750 . 6 1 1 A 68 68 ASP CA C 102 51.130 52.752 -1.622 1
1 751 . 6 1 1 A 68 68 ASP CB C 102 40.190 41.390 -1.200 1
1 752 . 6 1 1 A 68 68 ASP N N 102 124.386 125.581 -1.195 1
1 753 . 6 1 1 A 69 69 ASP H H 103 8.529 8.682 -0.153 1
1 754 . 6 1 1 A 69 69 ASP HA H 103 2.830 3.395 -0.565 1
1 757 . 6 1 1 A 69 69 ASP CA C 103 56.230 58.451 -2.221 1
1 758 . 6 1 1 A 69 69 ASP CB C 103 37.238 41.529 -4.291 1
1 759 . 6 1 1 A 69 69 ASP N N 103 117.423 119.429 -2.006 1
1 760 . 6 1 1 A 70 70 GLU H H 104 7.991 7.864 0.127 1
1 761 . 6 1 1 A 70 70 GLU HA H 104 4.061 4.406 -0.345 1
1 766 . 6 1 1 A 70 70 GLU CA C 104 59.130 59.427 -0.297 1
1 767 . 6 1 1 A 70 70 GLU CB C 104 29.134 29.715 -0.581 1
1 769 . 6 1 1 A 70 70 GLU N N 104 124.895 118.689 6.206 1
1 770 . 6 1 1 A 71 71 GLU H H 105 8.742 8.482 0.260 1
1 771 . 6 1 1 A 71 71 GLU HA H 105 4.000 4.108 -0.108 1
1 776 . 6 1 1 A 71 71 GLU CA C 105 59.150 59.072 0.078 1
1 777 . 6 1 1 A 71 71 GLU CB C 105 30.700 29.415 1.285 1
1 779 . 6 1 1 A 71 71 GLU N N 105 123.465 120.125 3.340 1
1 780 . 6 1 1 A 72 72 PHE H H 106 9.426 8.740 0.686 1
1 781 . 6 1 1 A 72 72 PHE HA H 106 4.230 4.077 0.153 1
1 789 . 6 1 1 A 72 72 PHE CA C 106 59.900 61.535 -1.635 1
1 790 . 6 1 1 A 72 72 PHE CB C 106 38.730 38.650 0.080 1
1 796 . 6 1 1 A 72 72 PHE N N 106 120.806 122.234 -1.428 1
1 797 . 6 1 1 A 73 73 ALA H H 107 8.085 8.129 -0.044 1
1 798 . 6 1 1 A 73 73 ALA HA H 107 3.770 3.713 0.057 1
1 802 . 6 1 1 A 73 73 ALA CA C 107 54.040 55.069 -1.029 1
1 803 . 6 1 1 A 73 73 ALA CB C 107 16.870 17.982 -1.112 1
1 804 . 6 1 1 A 73 73 ALA N N 107 126.845 121.199 5.646 1
1 805 . 6 1 1 A 74 74 LEU H H 108 8.431 7.994 0.437 1
1 806 . 6 1 1 A 74 74 LEU HA H 108 4.050 3.906 0.144 1
1 816 . 6 1 1 A 74 74 LEU CA C 108 56.960 57.668 -0.708 1
1 817 . 6 1 1 A 74 74 LEU CB C 108 41.600 41.655 -0.055 1
1 821 . 6 1 1 A 74 74 LEU N N 108 121.250 120.437 0.813 1
1 822 . 6 1 1 A 75 75 ALA H H 109 8.651 8.419 0.232 1
1 823 . 6 1 1 A 75 75 ALA HA H 109 3.657 3.948 -0.291 1
1 827 . 6 1 1 A 75 75 ALA CA C 109 54.770 55.621 -0.851 1
1 828 . 6 1 1 A 75 75 ALA CB C 109 16.110 18.058 -1.948 1
1 829 . 6 1 1 A 75 75 ALA N N 109 122.981 120.979 2.002 1
1 830 . 6 1 1 A 76 76 ASN H H 110 7.240 8.020 -0.780 1
1 831 . 6 1 1 A 76 76 ASN HA H 110 3.790 4.122 -0.332 1
1 836 . 6 1 1 A 76 76 ASN CA C 110 55.540 55.929 -0.389 1
1 837 . 6 1 1 A 76 76 ASN CB C 110 37.200 36.951 0.249 1
1 838 . 6 1 1 A 76 76 ASN N N 110 115.681 116.880 -1.199 1
1 840 . 6 1 1 A 77 77 HIS H H 111 8.345 7.579 0.766 1
1 841 . 6 1 1 A 77 77 HIS HA H 111 4.094 4.152 -0.058 1
1 846 . 6 1 1 A 77 77 HIS CA C 111 59.150 59.495 -0.345 1
1 847 . 6 1 1 A 77 77 HIS CB C 111 30.700 29.478 1.222 1
1 850 . 6 1 1 A 77 77 HIS N N 111 124.686 120.564 4.122 1
1 851 . 6 1 1 A 78 78 LEU H H 112 8.290 7.985 0.305 1
1 852 . 6 1 1 A 78 78 LEU HA H 112 3.810 3.771 0.039 1
1 862 . 6 1 1 A 78 78 LEU CA C 112 56.200 57.570 -1.370 1
1 863 . 6 1 1 A 78 78 LEU CB C 112 41.600 41.133 0.467 1
1 867 . 6 1 1 A 78 78 LEU N N 112 119.085 118.921 0.164 1
1 868 . 6 1 1 A 79 79 ILE H H 113 7.792 8.194 -0.402 1
1 869 . 6 1 1 A 79 79 ILE HA H 113 3.290 3.454 -0.164 1
1 879 . 6 1 1 A 79 79 ILE CA C 113 65.000 65.820 -0.820 1
1 880 . 6 1 1 A 79 79 ILE CB C 113 37.200 37.707 -0.507 1
1 884 . 6 1 1 A 79 79 ILE N N 113 121.304 120.261 1.043 1
1 885 . 6 1 1 A 80 80 LYS H H 114 7.546 8.259 -0.713 1
1 886 . 6 1 1 A 80 80 LYS HA H 114 3.820 3.911 -0.091 1
1 895 . 6 1 1 A 80 80 LYS CA C 114 59.100 59.707 -0.607 1
1 896 . 6 1 1 A 80 80 LYS CB C 114 30.700 32.291 -1.591 1
1 900 . 6 1 1 A 80 80 LYS N N 114 122.150 121.292 0.858 1
1 901 . 6 1 1 A 81 81 VAL H H 115 8.110 7.799 0.311 1
1 902 . 6 1 1 A 81 81 VAL HA H 115 3.740 3.430 0.310 1
1 910 . 6 1 1 A 81 81 VAL CA C 115 64.900 66.938 -2.038 1
1 911 . 6 1 1 A 81 81 VAL CB C 115 30.720 31.413 -0.693 1
1 914 . 6 1 1 A 81 81 VAL N N 115 118.999 119.389 -0.390 1
1 915 . 6 1 1 A 82 82 LYS H H 116 7.853 7.753 0.100 1
1 916 . 6 1 1 A 82 82 LYS HA H 116 4.540 4.000 0.540 1
1 925 . 6 1 1 A 82 82 LYS CA C 116 56.230 59.839 -3.609 1
1 926 . 6 1 1 A 82 82 LYS CB C 116 30.700 32.330 -1.630 1
1 930 . 6 1 1 A 82 82 LYS N N 116 123.030 118.963 4.067 1
1 931 . 6 1 1 A 83 83 LEU H H 117 8.959 8.518 0.441 1
1 932 . 6 1 1 A 83 83 LEU HA H 117 4.080 4.025 0.055 1
1 942 . 6 1 1 A 83 83 LEU CA C 117 56.900 57.546 -0.646 1
1 943 . 6 1 1 A 83 83 LEU CB C 117 40.920 41.005 -0.085 1
1 947 . 6 1 1 A 83 83 LEU N N 117 125.378 120.033 5.345 1
1 948 . 6 1 1 A 84 84 GLU H H 118 7.817 8.004 -0.187 1
1 949 . 6 1 1 A 84 84 GLU HA H 118 4.150 4.384 -0.234 1
1 954 . 6 1 1 A 84 84 GLU CA C 118 56.200 57.153 -0.953 1
1 955 . 6 1 1 A 84 84 GLU CB C 118 29.200 30.395 -1.195 1
1 957 . 6 1 1 A 84 84 GLU N N 118 119.766 118.308 1.458 1
1 958 . 6 1 1 A 85 85 GLY H H 119 7.862 7.871 -0.009 1
1 959 . 6 1 1 A 85 85 GLY HA2 H 119 3.640 3.947 -0.307 1
1 960 . 6 1 1 A 85 85 GLY HA3 H 119 4.140 3.960 0.180 1
1 961 . 6 1 1 A 85 85 GLY CA C 119 43.800 45.551 -1.751 1
1 962 . 6 1 1 A 85 85 GLY N N 119 107.902 108.235 -0.333 1
1 963 . 6 1 1 A 86 86 HIS H H 120 7.714 8.155 -0.441 1
1 964 . 6 1 1 A 86 86 HIS HA H 120 4.680 4.615 0.065 1
1 969 . 6 1 1 A 86 86 HIS CA C 120 54.000 56.052 -2.052 1
1 970 . 6 1 1 A 86 86 HIS CB C 120 30.000 31.914 -1.914 1
1 972 . 6 1 1 A 86 86 HIS N N 120 122.124 117.918 4.206 1
1 973 . 6 1 1 A 87 87 GLU H H 121 8.491 8.949 -0.458 1
1 974 . 6 1 1 A 87 87 GLU HA H 121 4.300 5.028 -0.728 1
1 979 . 6 1 1 A 87 87 GLU CA C 121 54.040 54.919 -0.879 1
1 980 . 6 1 1 A 87 87 GLU CB C 121 29.240 33.486 -4.246 1
1 982 . 6 1 1 A 87 87 GLU N N 121 121.826 121.474 0.352 1
1 983 . 6 1 1 A 88 88 LEU H H 122 8.672 8.922 -0.250 1
1 984 . 6 1 1 A 88 88 LEU HA H 122 4.410 4.948 -0.538 1
1 994 . 6 1 1 A 88 88 LEU CA C 122 51.130 51.207 -0.077 1
1 995 . 6 1 1 A 88 88 LEU CB C 122 40.200 43.533 -3.333 1
1 999 . 6 1 1 A 88 88 LEU N N 122 125.316 123.090 2.226 1
1 1000 . 6 1 1 A 89 89 PRO HA H 123 4.560 4.444 0.116 1
1 1007 . 6 1 1 A 89 89 PRO CA C 123 61.340 63.760 -2.420 1
1 1008 . 6 1 1 A 89 89 PRO CB C 123 30.700 31.975 -1.275 1
1 1011 . 6 1 1 A 90 90 ALA H H 124 8.464 7.948 0.516 1
1 1012 . 6 1 1 A 90 90 ALA HA H 124 4.063 3.953 0.110 1
1 1016 . 6 1 1 A 90 90 ALA CA C 124 53.320 53.338 -0.018 1
1 1017 . 6 1 1 A 90 90 ALA CB C 124 18.300 17.941 0.359 1
1 1018 . 6 1 1 A 90 90 ALA N N 124 123.603 120.383 3.220 1
1 1019 . 6 1 1 A 91 91 ASP H H 125 7.482 7.829 -0.347 1
1 1020 . 6 1 1 A 91 91 ASP HA H 125 4.640 5.159 -0.519 1
1 1023 . 6 1 1 A 91 91 ASP CA C 125 50.430 52.657 -2.227 1
1 1024 . 6 1 1 A 91 91 ASP CB C 125 43.100 45.096 -1.996 1
1 1025 . 6 1 1 A 91 91 ASP N N 125 115.317 115.842 -0.525 1
1 1026 . 6 1 1 A 92 92 LEU H H 126 8.883 9.080 -0.197 1
1 1027 . 6 1 1 A 92 92 LEU HA H 126 4.189 4.773 -0.584 1
1 1037 . 6 1 1 A 92 92 LEU CA C 126 52.500 51.202 1.298 1
1 1038 . 6 1 1 A 92 92 LEU CB C 126 41.600 43.512 -1.912 1
1 1042 . 6 1 1 A 92 92 LEU N N 126 125.329 122.092 3.237 1
1 1043 . 6 1 1 A 93 93 PRO HA H 127 4.860 4.601 0.259 1
1 1050 . 6 1 1 A 93 93 PRO CA C 127 59.800 61.685 -1.885 1
1 1051 . 6 1 1 A 93 93 PRO CB C 127 29.970 32.407 -2.437 1
1 1054 . 6 1 1 A 94 94 PRO HA H 128 4.210 4.223 -0.013 1
1 1061 . 6 1 1 A 94 94 PRO CA C 128 65.000 65.225 -0.225 1
1 1062 . 6 1 1 A 94 94 PRO CB C 128 31.430 31.904 -0.474 1
1 1065 . 6 1 1 A 95 95 HIS H H 129 7.922 8.297 -0.375 1
1 1066 . 6 1 1 A 95 95 HIS HA H 129 4.640 4.541 0.099 1
1 1071 . 6 1 1 A 95 95 HIS CA C 129 56.900 56.371 0.529 1
1 1072 . 6 1 1 A 95 95 HIS CB C 129 28.550 29.702 -1.152 1
1 1075 . 6 1 1 A 95 95 HIS N N 129 112.757 114.652 -1.895 1
1 1076 . 6 1 1 A 96 96 LEU H H 130 7.717 7.728 -0.011 1
1 1077 . 6 1 1 A 96 96 LEU HA H 130 4.640 4.328 0.312 1
1 1087 . 6 1 1 A 96 96 LEU CA C 130 53.300 54.670 -1.370 1
1 1088 . 6 1 1 A 96 96 LEU CB C 130 42.370 42.445 -0.075 1
1 1092 . 6 1 1 A 96 96 LEU N N 130 121.128 119.173 1.955 1
1 1093 . 6 1 1 A 97 97 VAL H H 131 7.184 7.717 -0.533 1
1 1094 . 6 1 1 A 97 97 VAL HA H 131 3.730 4.116 -0.386 1
1 1102 . 6 1 1 A 97 97 VAL CA C 131 60.640 60.751 -0.111 1
1 1103 . 6 1 1 A 97 97 VAL CB C 131 31.420 32.106 -0.686 1
1 1106 . 6 1 1 A 97 97 VAL N N 131 125.572 120.981 4.591 1
1 1107 . 6 1 1 A 98 98 PRO HA H 132 2.680 3.082 -0.402 1
1 1114 . 6 1 1 A 98 98 PRO CA C 132 59.880 61.122 -1.242 1
1 1115 . 6 1 1 A 98 98 PRO CB C 132 30.700 31.369 -0.669 1
1 1118 . 6 1 1 A 99 99 PRO HA H 133 3.600 4.040 -0.440 1
1 1125 . 6 1 1 A 99 99 PRO CA C 133 64.990 65.019 -0.029 1
1 1126 . 6 1 1 A 99 99 PRO CB C 133 31.400 31.833 -0.433 1
1 1129 . 6 1 1 A 100 100 SER H H 134 9.200 8.062 1.138 1
1 1130 . 6 1 1 A 100 100 SER HA H 134 4.150 4.307 -0.157 1
1 1133 . 6 1 1 A 100 100 SER CA C 134 59.880 59.714 0.166 1
1 1134 . 6 1 1 A 100 100 SER CB C 134 61.340 63.375 -2.035 1
1 1135 . 6 1 1 A 100 100 SER N N 134 115.005 112.094 2.911 1
1 1136 . 6 1 1 A 101 101 LYS H H 135 7.867 7.858 0.009 1
1 1137 . 6 1 1 A 101 101 LYS HA H 135 4.447 4.571 -0.124 1
1 1146 . 6 1 1 A 101 101 LYS CA C 135 52.600 55.141 -2.541 1
1 1147 . 6 1 1 A 101 101 LYS CB C 135 30.700 32.431 -1.731 1
1 1151 . 6 1 1 A 101 101 LYS N N 135 121.053 117.609 3.444 1
1 1152 . 6 1 1 A 102 102 ARG H H 136 7.077 7.574 -0.497 1
1 1153 . 6 1 1 A 102 102 ARG HA H 136 4.100 4.512 -0.412 1
1 1164 . 6 1 1 A 102 102 ARG CA C 136 55.500 55.546 -0.046 1
1 1165 . 6 1 1 A 102 102 ARG CB C 136 30.000 30.362 -0.362 1
1 1168 . 6 1 1 A 102 102 ARG N N 136 121.939 119.205 2.734 1
1 1169 . 6 1 1 A 103 103 ARG H H 137 8.289 8.790 -0.501 1
1 1170 . 6 1 1 A 103 103 ARG HA H 137 4.290 5.103 -0.813 1
1 1181 . 6 1 1 A 103 103 ARG CA C 137 54.770 54.306 0.464 1
1 1182 . 6 1 1 A 103 103 ARG CB C 137 30.000 33.930 -3.930 1
1 1185 . 6 1 1 A 103 103 ARG N N 137 123.504 126.067 -2.563 1
1 1186 . 6 1 1 A 104 104 HIS H H 138 8.370 9.003 -0.633 1
1 1187 . 6 1 1 A 104 104 HIS HA H 138 4.660 4.817 -0.157 1
1 1192 . 6 1 1 A 104 104 HIS CA C 138 54.040 54.945 -0.905 1
1 1193 . 6 1 1 A 104 104 HIS CB C 138 29.240 30.034 -0.794 1
1 1 . 7 1 1 A 7 7 ASP H H 41 8.479 8.559 -0.080 1
1 2 . 7 1 1 A 7 7 ASP HA H 41 4.595 4.834 -0.239 1
1 5 . 7 1 1 A 7 7 ASP CA C 41 52.900 52.994 -0.094 1
1 6 . 7 1 1 A 7 7 ASP CB C 41 39.760 40.860 -1.100 1
1 7 . 7 1 1 A 7 7 ASP N N 41 124.447 125.755 -1.308 1
1 8 . 7 1 1 A 8 8 VAL H H 42 7.916 8.259 -0.343 1
1 9 . 7 1 1 A 8 8 VAL HA H 42 4.140 4.211 -0.071 1
1 17 . 7 1 1 A 8 8 VAL CA C 42 60.610 61.949 -1.339 1
1 18 . 7 1 1 A 8 8 VAL CB C 42 32.160 32.924 -0.764 1
1 21 . 7 1 1 A 8 8 VAL N N 42 120.853 123.514 -2.661 1
1 22 . 7 1 1 A 9 9 GLU H H 43 8.476 8.488 -0.012 1
1 23 . 7 1 1 A 9 9 GLU HA H 43 4.290 4.227 0.063 1
1 28 . 7 1 1 A 9 9 GLU CA C 43 55.500 56.840 -1.340 1
1 29 . 7 1 1 A 9 9 GLU CB C 43 29.400 29.776 -0.376 1
1 31 . 7 1 1 A 9 9 GLU N N 43 127.650 123.229 4.421 1
1 32 . 7 1 1 A 10 10 TRP H H 44 8.839 8.762 0.077 1
1 33 . 7 1 1 A 10 10 TRP HA H 44 5.220 4.814 0.406 1
1 42 . 7 1 1 A 10 10 TRP CA C 44 54.040 56.056 -2.016 1
1 43 . 7 1 1 A 10 10 TRP CB C 44 27.800 30.345 -2.545 1
1 49 . 7 1 1 A 10 10 TRP N N 44 126.378 125.899 0.479 1
1 50 . 7 1 1 A 11 11 VAL H H 45 9.230 8.749 0.481 1
1 51 . 7 1 1 A 11 11 VAL HA H 45 3.891 3.754 0.137 1
1 59 . 7 1 1 A 11 11 VAL CA C 45 63.530 64.519 -0.989 1
1 60 . 7 1 1 A 11 11 VAL CB C 45 30.700 31.288 -0.588 1
1 63 . 7 1 1 A 11 11 VAL N N 45 131.353 125.772 5.581 1
1 64 . 7 1 1 A 12 12 VAL H H 46 5.000 6.823 -1.823 1
1 65 . 7 1 1 A 12 12 VAL HA H 46 3.033 3.096 -0.063 1
1 73 . 7 1 1 A 12 12 VAL CA C 46 60.650 63.781 -3.131 1
1 74 . 7 1 1 A 12 12 VAL CB C 46 29.280 31.403 -2.123 1
1 77 . 7 1 1 A 13 13 GLY H H 47 7.330 8.426 -1.096 1
1 78 . 7 1 1 A 13 13 GLY HA2 H 47 3.580 3.783 -0.203 1
1 79 . 7 1 1 A 13 13 GLY HA3 H 47 4.180 3.834 0.346 1
1 80 . 7 1 1 A 13 13 GLY CA C 47 46.760 46.764 -0.004 1
1 81 . 7 1 1 A 14 14 LYS H H 48 7.570 8.667 -1.097 1
1 82 . 7 1 1 A 14 14 LYS HA H 48 4.065 4.107 -0.042 1
1 91 . 7 1 1 A 14 14 LYS CA C 48 57.700 58.288 -0.588 1
1 92 . 7 1 1 A 14 14 LYS CB C 48 30.700 31.327 -0.627 1
1 96 . 7 1 1 A 14 14 LYS N N 48 121.084 118.351 2.733 1
1 97 . 7 1 1 A 15 15 ASP H H 49 7.309 7.459 -0.150 1
1 98 . 7 1 1 A 15 15 ASP HA H 49 4.778 4.763 0.015 1
1 101 . 7 1 1 A 15 15 ASP CA C 49 52.880 53.207 -0.327 1
1 102 . 7 1 1 A 15 15 ASP CB C 49 42.300 41.684 0.616 1
1 103 . 7 1 1 A 15 15 ASP N N 49 118.181 119.180 -0.999 1
1 104 . 7 1 1 A 16 16 LYS H H 50 7.506 7.527 -0.021 1
1 105 . 7 1 1 A 16 16 LYS HA H 50 4.061 4.006 0.055 1
1 114 . 7 1 1 A 16 16 LYS CA C 50 60.610 60.830 -0.220 1
1 115 . 7 1 1 A 16 16 LYS CB C 50 30.700 32.195 -1.495 1
1 119 . 7 1 1 A 16 16 LYS N N 50 123.633 120.249 3.384 1
1 120 . 7 1 1 A 17 17 PRO HA H 51 4.430 4.317 0.113 1
1 127 . 7 1 1 A 17 17 PRO CA C 51 65.720 65.505 0.215 1
1 128 . 7 1 1 A 17 17 PRO CB C 51 29.970 31.047 -1.077 1
1 131 . 7 1 1 A 18 18 THR H H 52 7.280 7.593 -0.313 1
1 132 . 7 1 1 A 18 18 THR HA H 52 3.970 4.043 -0.073 1
1 137 . 7 1 1 A 18 18 THR CA C 52 64.990 65.216 -0.226 1
1 138 . 7 1 1 A 18 18 THR CB C 52 67.170 68.198 -1.028 1
1 140 . 7 1 1 A 18 18 THR N N 52 115.095 111.501 3.594 1
1 141 . 7 1 1 A 19 19 TYR H H 53 7.083 7.559 -0.476 1
1 142 . 7 1 1 A 19 19 TYR HA H 53 4.716 4.405 0.311 1
1 149 . 7 1 1 A 19 19 TYR CA C 53 57.400 62.023 -4.623 1
1 150 . 7 1 1 A 19 19 TYR CB C 53 35.800 37.218 -1.418 1
1 155 . 7 1 1 A 19 19 TYR N N 53 125.380 119.682 5.698 1
1 156 . 7 1 1 A 20 20 ASP H H 54 9.596 8.279 1.317 1
1 157 . 7 1 1 A 20 20 ASP HA H 54 4.492 4.132 0.360 1
1 160 . 7 1 1 A 20 20 ASP CA C 54 56.200 57.010 -0.810 1
1 161 . 7 1 1 A 20 20 ASP CB C 54 38.730 40.234 -1.504 1
1 162 . 7 1 1 A 20 20 ASP N N 54 124.548 120.906 3.642 1
1 163 . 7 1 1 A 21 21 GLU H H 55 7.309 7.947 -0.638 1
1 164 . 7 1 1 A 21 21 GLU HA H 55 4.140 4.081 0.059 1
1 169 . 7 1 1 A 21 21 GLU CA C 55 58.420 59.176 -0.756 1
1 170 . 7 1 1 A 21 21 GLU CB C 55 29.250 29.410 -0.160 1
1 172 . 7 1 1 A 21 21 GLU N N 55 118.181 119.893 -1.712 1
1 173 . 7 1 1 A 22 22 ILE H H 56 7.249 7.723 -0.474 1
1 174 . 7 1 1 A 22 22 ILE HA H 56 3.940 3.907 0.033 1
1 184 . 7 1 1 A 22 22 ILE CA C 56 62.870 64.695 -1.825 1
1 185 . 7 1 1 A 22 22 ILE CB C 56 38.000 37.383 0.617 1
1 189 . 7 1 1 A 22 22 ILE N N 56 118.978 120.739 -1.761 1
1 190 . 7 1 1 A 23 23 PHE H H 57 9.117 8.526 0.591 1
1 191 . 7 1 1 A 23 23 PHE HA H 57 3.090 3.424 -0.334 1
1 199 . 7 1 1 A 23 23 PHE CA C 57 61.300 61.138 0.162 1
1 200 . 7 1 1 A 23 23 PHE CB C 57 38.730 38.587 0.143 1
1 206 . 7 1 1 A 23 23 PHE N N 57 127.639 121.899 5.740 1
1 207 . 7 1 1 A 24 24 TYR H H 58 7.922 7.682 0.240 1
1 208 . 7 1 1 A 24 24 TYR HA H 58 3.990 4.462 -0.472 1
1 215 . 7 1 1 A 24 24 TYR CA C 58 60.610 60.943 -0.333 1
1 216 . 7 1 1 A 24 24 TYR CB C 58 36.540 37.448 -0.908 1
1 221 . 7 1 1 A 24 24 TYR N N 58 112.757 114.745 -1.988 1
1 222 . 7 1 1 A 25 25 THR H H 59 8.081 7.589 0.492 1
1 223 . 7 1 1 A 25 25 THR HA H 59 4.640 4.458 0.182 1
1 229 . 7 1 1 A 25 25 THR CA C 59 62.070 62.691 -0.621 1
1 230 . 7 1 1 A 25 25 THR CB C 59 68.630 69.620 -0.990 1
1 232 . 7 1 1 A 25 25 THR N N 59 112.676 109.618 3.058 1
1 233 . 7 1 1 A 26 26 LEU H H 60 7.373 7.090 0.283 1
1 234 . 7 1 1 A 26 26 LEU HA H 60 4.460 4.333 0.127 1
1 244 . 7 1 1 A 26 26 LEU CA C 60 52.600 54.001 -1.401 1
1 245 . 7 1 1 A 26 26 LEU CB C 60 39.400 41.647 -2.247 1
1 249 . 7 1 1 A 26 26 LEU N N 60 125.808 120.867 4.941 1
1 250 . 7 1 1 A 27 27 SER H H 61 7.860 7.970 -0.110 1
1 251 . 7 1 1 A 27 27 SER HA H 61 3.980 4.034 -0.054 1
1 254 . 7 1 1 A 27 27 SER CA C 61 56.960 59.000 -2.040 1
1 255 . 7 1 1 A 27 27 SER CB C 61 60.640 61.618 -0.978 1
1 256 . 7 1 1 A 27 27 SER N N 61 111.582 113.963 -2.381 1
1 257 . 7 1 1 A 28 28 PRO HA H 62 4.190 4.536 -0.346 1
1 264 . 7 1 1 A 28 28 PRO CA C 62 62.070 62.372 -0.302 1
1 265 . 7 1 1 A 28 28 PRO CB C 62 29.970 32.556 -2.586 1
1 268 . 7 1 1 A 29 29 VAL H H 63 8.744 8.780 -0.036 1
1 269 . 7 1 1 A 29 29 VAL HA H 63 4.180 4.640 -0.460 1
1 277 . 7 1 1 A 29 29 VAL CA C 63 60.640 59.946 0.694 1
1 278 . 7 1 1 A 29 29 VAL CB C 63 33.620 34.159 -0.539 1
1 281 . 7 1 1 A 29 29 VAL N N 63 124.299 116.650 7.649 1
1 282 . 7 1 1 A 30 30 ASN H H 64 9.713 9.544 0.169 1
1 283 . 7 1 1 A 30 30 ASN HA H 64 4.410 4.472 -0.062 1
1 288 . 7 1 1 A 30 30 ASN CA C 64 53.320 54.536 -1.216 1
1 289 . 7 1 1 A 30 30 ASN CB C 64 36.540 36.992 -0.452 1
1 290 . 7 1 1 A 30 30 ASN N N 64 129.729 121.888 7.841 1
1 292 . 7 1 1 A 31 31 GLY H H 65 8.862 8.670 0.192 1
1 293 . 7 1 1 A 31 31 GLY HA2 H 65 3.770 3.947 -0.177 1
1 294 . 7 1 1 A 31 31 GLY HA3 H 65 4.250 4.053 0.197 1
1 295 . 7 1 1 A 31 31 GLY CA C 65 44.560 45.618 -1.058 1
1 296 . 7 1 1 A 31 31 GLY N N 65 130.641 104.712 25.929 1
1 297 . 7 1 1 A 32 32 LYS H H 66 7.501 7.972 -0.471 1
1 298 . 7 1 1 A 32 32 LYS HA H 66 5.400 5.485 -0.085 1
1 307 . 7 1 1 A 32 32 LYS CA C 66 54.040 54.585 -0.545 1
1 308 . 7 1 1 A 32 32 LYS CB C 66 36.540 36.190 0.350 1
1 312 . 7 1 1 A 32 32 LYS N N 66 118.738 119.691 -0.953 1
1 313 . 7 1 1 A 33 33 ILE H H 67 9.230 8.982 0.248 1
1 314 . 7 1 1 A 33 33 ILE HA H 67 5.010 4.925 0.085 1
1 324 . 7 1 1 A 33 33 ILE CA C 67 57.690 58.936 -1.246 1
1 325 . 7 1 1 A 33 33 ILE CB C 67 40.190 41.694 -1.504 1
1 329 . 7 1 1 A 33 33 ILE N N 67 118.166 119.251 -1.085 1
1 330 . 7 1 1 A 34 34 THR H H 68 8.262 8.607 -0.345 1
1 331 . 7 1 1 A 34 34 THR HA H 68 4.530 4.785 -0.255 1
1 337 . 7 1 1 A 34 34 THR CA C 68 59.100 60.208 -1.108 1
1 338 . 7 1 1 A 34 34 THR CB C 68 70.000 71.158 -1.158 1
1 340 . 7 1 1 A 34 34 THR N N 68 111.971 114.551 -2.580 1
1 341 . 7 1 1 A 35 35 GLY H H 69 9.000 8.945 0.055 1
1 342 . 7 1 1 A 35 35 GLY HA2 H 69 3.540 3.854 -0.314 1
1 343 . 7 1 1 A 35 35 GLY HA3 H 69 3.830 4.110 -0.280 1
1 344 . 7 1 1 A 35 35 GLY CA C 69 47.480 46.585 0.895 1
1 345 . 7 1 1 A 35 35 GLY N N 69 110.304 109.515 0.789 1
1 346 . 7 1 1 A 36 36 ALA H H 70 8.336 8.007 0.329 1
1 347 . 7 1 1 A 36 36 ALA HA H 70 3.880 3.989 -0.109 1
1 351 . 7 1 1 A 36 36 ALA CA C 70 54.040 54.804 -0.764 1
1 352 . 7 1 1 A 36 36 ALA CB C 70 17.570 18.448 -0.878 1
1 353 . 7 1 1 A 36 36 ALA N N 70 123.822 124.390 -0.568 1
1 354 . 7 1 1 A 37 37 ASN H H 71 7.560 8.272 -0.712 1
1 355 . 7 1 1 A 37 37 ASN HA H 71 4.680 4.548 0.132 1
1 360 . 7 1 1 A 37 37 ASN CA C 71 54.040 55.716 -1.676 1
1 361 . 7 1 1 A 37 37 ASN CB C 71 36.500 37.840 -1.340 1
1 362 . 7 1 1 A 37 37 ASN N N 71 118.643 117.001 1.642 1
1 364 . 7 1 1 A 38 38 ALA H H 72 8.810 7.966 0.844 1
1 365 . 7 1 1 A 38 38 ALA HA H 72 4.100 4.328 -0.228 1
1 369 . 7 1 1 A 38 38 ALA CA C 72 54.770 55.276 -0.506 1
1 370 . 7 1 1 A 38 38 ALA CB C 72 18.240 18.975 -0.735 1
1 371 . 7 1 1 A 38 38 ALA N N 72 123.731 122.551 1.180 1
1 372 . 7 1 1 A 39 39 LYS H H 73 8.837 8.123 0.714 1
1 373 . 7 1 1 A 39 39 LYS HA H 73 3.940 3.973 -0.033 1
1 382 . 7 1 1 A 39 39 LYS CA C 73 59.130 59.667 -0.537 1
1 383 . 7 1 1 A 39 39 LYS CB C 73 31.430 32.088 -0.658 1
1 387 . 7 1 1 A 39 39 LYS N N 73 120.046 118.527 1.519 1
1 388 . 7 1 1 A 40 40 LYS H H 74 7.319 7.708 -0.389 1
1 389 . 7 1 1 A 40 40 LYS HA H 74 3.990 3.984 0.006 1
1 398 . 7 1 1 A 40 40 LYS CA C 74 58.470 59.603 -1.133 1
1 399 . 7 1 1 A 40 40 LYS CB C 74 31.430 32.228 -0.798 1
1 403 . 7 1 1 A 40 40 LYS N N 74 118.778 118.270 0.508 1
1 404 . 7 1 1 A 41 41 GLU H H 75 7.111 7.765 -0.654 1
1 405 . 7 1 1 A 41 41 GLU HA H 75 4.420 4.111 0.309 1
1 410 . 7 1 1 A 41 41 GLU CA C 75 56.200 58.928 -2.728 1
1 411 . 7 1 1 A 41 41 GLU CB C 75 29.240 29.702 -0.462 1
1 413 . 7 1 1 A 41 41 GLU N N 75 117.703 119.530 -1.827 1
1 414 . 7 1 1 A 42 42 MET H H 76 8.603 8.372 0.231 1
1 415 . 7 1 1 A 42 42 MET HA H 76 4.010 4.245 -0.235 1
1 423 . 7 1 1 A 42 42 MET CA C 76 59.100 58.935 0.165 1
1 424 . 7 1 1 A 42 42 MET CB C 76 33.620 31.797 1.823 1
1 427 . 7 1 1 A 42 42 MET N N 76 121.344 118.757 2.587 1
1 428 . 7 1 1 A 43 43 VAL H H 77 8.661 7.899 0.762 1
1 429 . 7 1 1 A 43 43 VAL HA H 77 4.063 3.983 0.080 1
1 437 . 7 1 1 A 43 43 VAL CA C 77 63.530 64.599 -1.069 1
1 438 . 7 1 1 A 43 43 VAL CB C 77 30.700 32.036 -1.336 1
1 441 . 7 1 1 A 43 43 VAL N N 77 117.339 118.674 -1.335 1
1 442 . 7 1 1 A 44 44 LYS H H 78 7.464 8.029 -0.565 1
1 443 . 7 1 1 A 44 44 LYS HA H 78 4.110 4.173 -0.063 1
1 452 . 7 1 1 A 44 44 LYS CA C 78 58.400 58.506 -0.106 1
1 453 . 7 1 1 A 44 44 LYS CB C 78 31.430 31.784 -0.354 1
1 457 . 7 1 1 A 44 44 LYS N N 78 124.308 120.894 3.414 1
1 458 . 7 1 1 A 45 45 SER H H 79 7.534 7.719 -0.185 1
1 459 . 7 1 1 A 45 45 SER HA H 79 4.071 4.366 -0.295 1
1 462 . 7 1 1 A 45 45 SER CA C 79 59.880 58.826 1.054 1
1 463 . 7 1 1 A 45 45 SER CB C 79 65.000 63.373 1.627 1
1 464 . 7 1 1 A 45 45 SER N N 79 114.575 111.998 2.577 1
1 465 . 7 1 1 A 46 46 LYS H H 80 7.822 7.664 0.158 1
1 466 . 7 1 1 A 46 46 LYS HA H 80 3.930 3.798 0.132 1
1 475 . 7 1 1 A 46 46 LYS CA C 80 57.000 57.418 -0.418 1
1 476 . 7 1 1 A 46 46 LYS CB C 80 28.510 28.942 -0.432 1
1 480 . 7 1 1 A 46 46 LYS N N 80 114.855 115.752 -0.897 1
1 481 . 7 1 1 A 47 47 LEU H H 81 7.505 7.867 -0.362 1
1 482 . 7 1 1 A 47 47 LEU HA H 81 4.470 4.688 -0.218 1
1 492 . 7 1 1 A 47 47 LEU CA C 81 52.600 51.489 1.111 1
1 493 . 7 1 1 A 47 47 LEU CB C 81 40.920 43.035 -2.115 1
1 497 . 7 1 1 A 47 47 LEU N N 81 122.848 119.824 3.024 1
1 498 . 7 1 1 A 48 48 PRO HA H 82 4.510 4.517 -0.007 1
1 505 . 7 1 1 A 48 48 PRO CA C 82 61.340 63.191 -1.851 1
1 506 . 7 1 1 A 48 48 PRO CB C 82 32.100 32.534 -0.434 1
1 509 . 7 1 1 A 49 49 ASN H H 83 7.580 8.801 -1.221 1
1 510 . 7 1 1 A 49 49 ASN HA H 83 4.240 4.391 -0.151 1
1 515 . 7 1 1 A 49 49 ASN CA C 83 56.200 55.930 0.270 1
1 516 . 7 1 1 A 49 49 ASN CB C 83 37.270 37.260 0.010 1
1 518 . 7 1 1 A 50 50 THR H H 84 7.010 7.954 -0.944 1
1 519 . 7 1 1 A 50 50 THR HA H 84 4.030 4.082 -0.052 1
1 524 . 7 1 1 A 50 50 THR CA C 84 63.500 66.459 -2.959 1
1 525 . 7 1 1 A 50 50 THR CB C 84 67.170 68.189 -1.019 1
1 527 . 7 1 1 A 51 51 VAL H H 85 6.887 7.898 -1.011 1
1 528 . 7 1 1 A 51 51 VAL HA H 85 3.650 3.641 0.009 1
1 536 . 7 1 1 A 51 51 VAL CA C 85 64.200 66.744 -2.544 1
1 537 . 7 1 1 A 51 51 VAL CB C 85 30.700 31.600 -0.900 1
1 540 . 7 1 1 A 51 51 VAL N N 85 125.031 122.155 2.876 1
1 541 . 7 1 1 A 52 52 LEU H H 86 8.043 8.436 -0.393 1
1 542 . 7 1 1 A 52 52 LEU HA H 86 3.730 4.038 -0.308 1
1 552 . 7 1 1 A 52 52 LEU CA C 86 56.960 57.979 -1.019 1
1 553 . 7 1 1 A 52 52 LEU CB C 86 39.430 41.658 -2.228 1
1 557 . 7 1 1 A 52 52 LEU N N 86 121.307 120.459 0.848 1
1 558 . 7 1 1 A 53 53 GLY H H 87 8.420 8.349 0.071 1
1 559 . 7 1 1 A 53 53 GLY HA2 H 87 3.890 3.674 0.216 1
1 560 . 7 1 1 A 53 53 GLY HA3 H 87 3.980 3.718 0.262 1
1 561 . 7 1 1 A 53 53 GLY CA C 87 46.020 47.375 -1.355 1
1 562 . 7 1 1 A 53 53 GLY N N 87 108.274 107.000 1.274 1
1 563 . 7 1 1 A 54 54 LYS H H 88 7.327 7.947 -0.620 1
1 564 . 7 1 1 A 54 54 LYS HA H 88 4.130 4.014 0.116 1
1 573 . 7 1 1 A 54 54 LYS CA C 88 58.420 59.438 -1.018 1
1 574 . 7 1 1 A 54 54 LYS CB C 88 31.430 32.401 -0.971 1
1 578 . 7 1 1 A 54 54 LYS N N 88 125.389 121.875 3.514 1
1 579 . 7 1 1 A 55 55 ILE H H 89 8.075 7.967 0.108 1
1 580 . 7 1 1 A 55 55 ILE HA H 89 3.470 3.753 -0.283 1
1 590 . 7 1 1 A 55 55 ILE CA C 89 65.720 64.639 1.081 1
1 591 . 7 1 1 A 55 55 ILE CB C 89 36.540 36.923 -0.383 1
1 595 . 7 1 1 A 55 55 ILE N N 89 122.261 119.406 2.855 1
1 596 . 7 1 1 A 56 56 TRP H H 90 8.706 8.654 0.052 1
1 597 . 7 1 1 A 56 56 TRP HA H 90 3.810 4.208 -0.398 1
1 606 . 7 1 1 A 56 56 TRP CA C 90 60.610 60.151 0.459 1
1 607 . 7 1 1 A 56 56 TRP CB C 90 27.790 30.014 -2.224 1
1 613 . 7 1 1 A 56 56 TRP N N 90 121.947 123.159 -1.212 1
1 615 . 7 1 1 A 57 57 LYS H H 91 7.581 8.097 -0.516 1
1 616 . 7 1 1 A 57 57 LYS HA H 91 3.960 4.124 -0.164 1
1 625 . 7 1 1 A 57 57 LYS CA C 91 58.420 58.708 -0.288 1
1 626 . 7 1 1 A 57 57 LYS CB C 91 31.430 32.048 -0.618 1
1 630 . 7 1 1 A 57 57 LYS N N 91 116.801 119.935 -3.134 1
1 631 . 7 1 1 A 58 58 LEU H H 92 7.571 7.460 0.111 1
1 632 . 7 1 1 A 58 58 LEU HA H 92 3.990 4.232 -0.242 1
1 642 . 7 1 1 A 58 58 LEU CA C 92 56.200 56.753 -0.553 1
1 643 . 7 1 1 A 58 58 LEU CB C 92 43.100 42.258 0.842 1
1 647 . 7 1 1 A 58 58 LEU N N 92 119.520 119.023 0.497 1
1 648 . 7 1 1 A 59 59 ALA H H 93 8.135 7.689 0.446 1
1 649 . 7 1 1 A 59 59 ALA HA H 93 4.120 4.296 -0.176 1
1 653 . 7 1 1 A 59 59 ALA CA C 93 52.590 54.462 -1.872 1
1 654 . 7 1 1 A 59 59 ALA CB C 93 18.300 18.760 -0.460 1
1 655 . 7 1 1 A 59 59 ALA N N 93 120.126 120.003 0.123 1
1 656 . 7 1 1 A 60 60 ASP H H 94 7.530 7.950 -0.420 1
1 657 . 7 1 1 A 60 60 ASP HA H 94 4.540 4.338 0.202 1
1 660 . 7 1 1 A 60 60 ASP CA C 94 51.100 53.586 -2.486 1
1 661 . 7 1 1 A 60 60 ASP CB C 94 35.840 39.909 -4.069 1
1 662 . 7 1 1 A 60 60 ASP N N 94 115.380 117.194 -1.814 1
1 663 . 7 1 1 A 61 61 VAL H H 95 8.340 8.081 0.259 1
1 664 . 7 1 1 A 61 61 VAL HA H 95 3.500 3.801 -0.301 1
1 672 . 7 1 1 A 61 61 VAL CA C 95 65.000 66.115 -1.115 1
1 673 . 7 1 1 A 61 61 VAL CB C 95 31.430 31.676 -0.246 1
1 676 . 7 1 1 A 61 61 VAL N N 95 129.560 124.394 5.166 1
1 677 . 7 1 1 A 62 62 ASP H H 96 7.927 7.835 0.092 1
1 678 . 7 1 1 A 62 62 ASP HA H 96 4.530 4.553 -0.023 1
1 681 . 7 1 1 A 62 62 ASP CA C 96 51.800 53.548 -1.748 1
1 682 . 7 1 1 A 62 62 ASP CB C 96 38.700 40.448 -1.748 1
1 683 . 7 1 1 A 62 62 ASP N N 96 115.789 117.164 -1.375 1
1 684 . 7 1 1 A 63 63 LYS H H 97 7.551 7.767 -0.216 1
1 685 . 7 1 1 A 63 63 LYS HA H 97 3.860 4.241 -0.381 1
1 694 . 7 1 1 A 63 63 LYS CA C 97 56.960 57.128 -0.168 1
1 695 . 7 1 1 A 63 63 LYS CB C 97 28.520 30.146 -1.626 1
1 699 . 7 1 1 A 63 63 LYS N N 97 115.740 115.363 0.377 1
1 700 . 7 1 1 A 64 64 ASP H H 98 8.363 8.116 0.247 1
1 701 . 7 1 1 A 64 64 ASP HA H 98 4.660 4.791 -0.131 1
1 704 . 7 1 1 A 64 64 ASP CA C 98 52.600 53.105 -0.505 1
1 705 . 7 1 1 A 64 64 ASP CB C 98 40.190 41.572 -1.382 1
1 706 . 7 1 1 A 64 64 ASP N N 98 120.463 118.227 2.236 1
1 707 . 7 1 1 A 65 65 GLY H H 99 10.641 8.545 2.096 1
1 708 . 7 1 1 A 65 65 GLY HA2 H 99 3.850 4.053 -0.203 1
1 709 . 7 1 1 A 65 65 GLY HA3 H 99 4.322 4.303 0.019 1
1 710 . 7 1 1 A 65 65 GLY CA C 99 44.800 45.884 -1.084 1
1 711 . 7 1 1 A 65 65 GLY N N 99 115.730 110.806 4.924 1
1 712 . 7 1 1 A 66 66 LEU H H 100 8.157 7.985 0.172 1
1 713 . 7 1 1 A 66 66 LEU HA H 100 5.120 5.061 0.059 1
1 723 . 7 1 1 A 66 66 LEU CA C 100 52.600 53.099 -0.499 1
1 724 . 7 1 1 A 66 66 LEU CB C 100 44.600 44.483 0.117 1
1 728 . 7 1 1 A 66 66 LEU N N 100 123.435 122.729 0.706 1
1 729 . 7 1 1 A 67 67 LEU H H 101 8.687 9.159 -0.472 1
1 730 . 7 1 1 A 67 67 LEU HA H 101 5.800 5.146 0.654 1
1 740 . 7 1 1 A 67 67 LEU CA C 101 51.860 53.762 -1.902 1
1 741 . 7 1 1 A 67 67 LEU CB C 101 42.370 43.232 -0.862 1
1 745 . 7 1 1 A 67 67 LEU N N 101 121.109 122.665 -1.556 1
1 746 . 7 1 1 A 68 68 ASP H H 102 9.229 8.653 0.576 1
1 747 . 7 1 1 A 68 68 ASP HA H 102 5.610 4.773 0.837 1
1 750 . 7 1 1 A 68 68 ASP CA C 102 51.130 54.186 -3.056 1
1 751 . 7 1 1 A 68 68 ASP CB C 102 40.190 42.010 -1.820 1
1 752 . 7 1 1 A 68 68 ASP N N 102 124.386 124.322 0.064 1
1 753 . 7 1 1 A 69 69 ASP H H 103 8.529 8.896 -0.367 1
1 754 . 7 1 1 A 69 69 ASP HA H 103 2.830 3.338 -0.508 1
1 757 . 7 1 1 A 69 69 ASP CA C 103 56.230 56.227 0.003 1
1 758 . 7 1 1 A 69 69 ASP CB C 103 37.238 39.563 -2.325 1
1 759 . 7 1 1 A 69 69 ASP N N 103 117.423 121.192 -3.769 1
1 760 . 7 1 1 A 70 70 GLU H H 104 7.991 8.086 -0.095 1
1 761 . 7 1 1 A 70 70 GLU HA H 104 4.061 4.275 -0.214 1
1 766 . 7 1 1 A 70 70 GLU CA C 104 59.130 59.545 -0.415 1
1 767 . 7 1 1 A 70 70 GLU CB C 104 29.134 29.242 -0.108 1
1 769 . 7 1 1 A 70 70 GLU N N 104 124.895 120.441 4.454 1
1 770 . 7 1 1 A 71 71 GLU H H 105 8.742 8.098 0.644 1
1 771 . 7 1 1 A 71 71 GLU HA H 105 4.000 4.148 -0.148 1
1 776 . 7 1 1 A 71 71 GLU CA C 105 59.150 59.130 0.020 1
1 777 . 7 1 1 A 71 71 GLU CB C 105 30.700 29.822 0.878 1
1 779 . 7 1 1 A 71 71 GLU N N 105 123.465 119.934 3.531 1
1 780 . 7 1 1 A 72 72 PHE H H 106 9.426 8.744 0.682 1
1 781 . 7 1 1 A 72 72 PHE HA H 106 4.230 4.281 -0.051 1
1 789 . 7 1 1 A 72 72 PHE CA C 106 59.900 61.606 -1.706 1
1 790 . 7 1 1 A 72 72 PHE CB C 106 38.730 39.191 -0.461 1
1 796 . 7 1 1 A 72 72 PHE N N 106 120.806 121.574 -0.768 1
1 797 . 7 1 1 A 73 73 ALA H H 107 8.085 8.177 -0.092 1
1 798 . 7 1 1 A 73 73 ALA HA H 107 3.770 4.084 -0.314 1
1 802 . 7 1 1 A 73 73 ALA CA C 107 54.040 55.266 -1.226 1
1 803 . 7 1 1 A 73 73 ALA CB C 107 16.870 17.948 -1.078 1
1 804 . 7 1 1 A 73 73 ALA N N 107 126.845 121.240 5.605 1
1 805 . 7 1 1 A 74 74 LEU H H 108 8.431 8.041 0.390 1
1 806 . 7 1 1 A 74 74 LEU HA H 108 4.050 3.950 0.100 1
1 816 . 7 1 1 A 74 74 LEU CA C 108 56.960 57.640 -0.680 1
1 817 . 7 1 1 A 74 74 LEU CB C 108 41.600 41.594 0.006 1
1 821 . 7 1 1 A 74 74 LEU N N 108 121.250 120.195 1.055 1
1 822 . 7 1 1 A 75 75 ALA H H 109 8.651 8.234 0.417 1
1 823 . 7 1 1 A 75 75 ALA HA H 109 3.657 4.003 -0.346 1
1 827 . 7 1 1 A 75 75 ALA CA C 109 54.770 55.439 -0.669 1
1 828 . 7 1 1 A 75 75 ALA CB C 109 16.110 18.153 -2.043 1
1 829 . 7 1 1 A 75 75 ALA N N 109 122.981 120.897 2.084 1
1 830 . 7 1 1 A 76 76 ASN H H 110 7.240 8.081 -0.841 1
1 831 . 7 1 1 A 76 76 ASN HA H 110 3.790 4.033 -0.243 1
1 836 . 7 1 1 A 76 76 ASN CA C 110 55.540 55.836 -0.296 1
1 837 . 7 1 1 A 76 76 ASN CB C 110 37.200 36.736 0.464 1
1 838 . 7 1 1 A 76 76 ASN N N 110 115.681 116.327 -0.646 1
1 840 . 7 1 1 A 77 77 HIS H H 111 8.345 8.241 0.104 1
1 841 . 7 1 1 A 77 77 HIS HA H 111 4.094 4.368 -0.274 1
1 846 . 7 1 1 A 77 77 HIS CA C 111 59.150 59.965 -0.815 1
1 847 . 7 1 1 A 77 77 HIS CB C 111 30.700 30.386 0.314 1
1 850 . 7 1 1 A 77 77 HIS N N 111 124.686 120.865 3.821 1
1 851 . 7 1 1 A 78 78 LEU H H 112 8.290 8.462 -0.172 1
1 852 . 7 1 1 A 78 78 LEU HA H 112 3.810 3.776 0.034 1
1 862 . 7 1 1 A 78 78 LEU CA C 112 56.200 57.926 -1.726 1
1 863 . 7 1 1 A 78 78 LEU CB C 112 41.600 41.145 0.455 1
1 867 . 7 1 1 A 78 78 LEU N N 112 119.085 119.102 -0.017 1
1 868 . 7 1 1 A 79 79 ILE H H 113 7.792 8.181 -0.389 1
1 869 . 7 1 1 A 79 79 ILE HA H 113 3.290 3.408 -0.118 1
1 879 . 7 1 1 A 79 79 ILE CA C 113 65.000 65.673 -0.673 1
1 880 . 7 1 1 A 79 79 ILE CB C 113 37.200 37.967 -0.767 1
1 884 . 7 1 1 A 79 79 ILE N N 113 121.304 120.237 1.067 1
1 885 . 7 1 1 A 80 80 LYS H H 114 7.546 7.927 -0.381 1
1 886 . 7 1 1 A 80 80 LYS HA H 114 3.820 3.925 -0.105 1
1 895 . 7 1 1 A 80 80 LYS CA C 114 59.100 59.636 -0.536 1
1 896 . 7 1 1 A 80 80 LYS CB C 114 30.700 32.070 -1.370 1
1 900 . 7 1 1 A 80 80 LYS N N 114 122.150 120.970 1.180 1
1 901 . 7 1 1 A 81 81 VAL H H 115 8.110 7.863 0.247 1
1 902 . 7 1 1 A 81 81 VAL HA H 115 3.740 3.587 0.153 1
1 910 . 7 1 1 A 81 81 VAL CA C 115 64.900 66.735 -1.835 1
1 911 . 7 1 1 A 81 81 VAL CB C 115 30.720 31.082 -0.362 1
1 914 . 7 1 1 A 81 81 VAL N N 115 118.999 119.572 -0.573 1
1 915 . 7 1 1 A 82 82 LYS H H 116 7.853 8.278 -0.425 1
1 916 . 7 1 1 A 82 82 LYS HA H 116 4.540 4.095 0.445 1
1 925 . 7 1 1 A 82 82 LYS CA C 116 56.230 59.676 -3.446 1
1 926 . 7 1 1 A 82 82 LYS CB C 116 30.700 31.848 -1.148 1
1 930 . 7 1 1 A 82 82 LYS N N 116 123.030 120.632 2.398 1
1 931 . 7 1 1 A 83 83 LEU H H 117 8.959 8.385 0.574 1
1 932 . 7 1 1 A 83 83 LEU HA H 117 4.080 4.091 -0.011 1
1 942 . 7 1 1 A 83 83 LEU CA C 117 56.900 56.626 0.274 1
1 943 . 7 1 1 A 83 83 LEU CB C 117 40.920 41.361 -0.441 1
1 947 . 7 1 1 A 83 83 LEU N N 117 125.378 119.467 5.911 1
1 948 . 7 1 1 A 84 84 GLU H H 118 7.817 7.675 0.142 1
1 949 . 7 1 1 A 84 84 GLU HA H 118 4.150 4.358 -0.208 1
1 954 . 7 1 1 A 84 84 GLU CA C 118 56.200 56.817 -0.617 1
1 955 . 7 1 1 A 84 84 GLU CB C 118 29.200 30.231 -1.031 1
1 957 . 7 1 1 A 84 84 GLU N N 118 119.766 118.801 0.965 1
1 958 . 7 1 1 A 85 85 GLY H H 119 7.862 8.350 -0.488 1
1 959 . 7 1 1 A 85 85 GLY HA2 H 119 3.640 3.936 -0.296 1
1 960 . 7 1 1 A 85 85 GLY HA3 H 119 4.140 3.945 0.195 1
1 961 . 7 1 1 A 85 85 GLY CA C 119 43.800 45.664 -1.864 1
1 962 . 7 1 1 A 85 85 GLY N N 119 107.902 108.433 -0.531 1
1 963 . 7 1 1 A 86 86 HIS H H 120 7.714 7.161 0.553 1
1 964 . 7 1 1 A 86 86 HIS HA H 120 4.680 4.796 -0.116 1
1 969 . 7 1 1 A 86 86 HIS CA C 120 54.000 54.230 -0.230 1
1 970 . 7 1 1 A 86 86 HIS CB C 120 30.000 32.075 -2.075 1
1 972 . 7 1 1 A 86 86 HIS N N 120 122.124 119.734 2.390 1
1 973 . 7 1 1 A 87 87 GLU H H 121 8.491 8.792 -0.301 1
1 974 . 7 1 1 A 87 87 GLU HA H 121 4.300 4.385 -0.085 1
1 979 . 7 1 1 A 87 87 GLU CA C 121 54.040 56.205 -2.165 1
1 980 . 7 1 1 A 87 87 GLU CB C 121 29.240 30.352 -1.112 1
1 982 . 7 1 1 A 87 87 GLU N N 121 121.826 125.676 -3.850 1
1 983 . 7 1 1 A 88 88 LEU H H 122 8.672 8.452 0.220 1
1 984 . 7 1 1 A 88 88 LEU HA H 122 4.410 4.626 -0.216 1
1 994 . 7 1 1 A 88 88 LEU CA C 122 51.130 52.854 -1.724 1
1 995 . 7 1 1 A 88 88 LEU CB C 122 40.200 41.878 -1.678 1
1 999 . 7 1 1 A 88 88 LEU N N 122 125.316 123.765 1.551 1
1 1000 . 7 1 1 A 89 89 PRO HA H 123 4.560 4.502 0.058 1
1 1007 . 7 1 1 A 89 89 PRO CA C 123 61.340 63.547 -2.207 1
1 1008 . 7 1 1 A 89 89 PRO CB C 123 30.700 32.127 -1.427 1
1 1011 . 7 1 1 A 90 90 ALA H H 124 8.464 7.928 0.536 1
1 1012 . 7 1 1 A 90 90 ALA HA H 124 4.063 3.920 0.143 1
1 1016 . 7 1 1 A 90 90 ALA CA C 124 53.320 53.309 0.011 1
1 1017 . 7 1 1 A 90 90 ALA CB C 124 18.300 17.467 0.833 1
1 1018 . 7 1 1 A 90 90 ALA N N 124 123.603 119.436 4.167 1
1 1019 . 7 1 1 A 91 91 ASP H H 125 7.482 7.827 -0.345 1
1 1020 . 7 1 1 A 91 91 ASP HA H 125 4.640 5.218 -0.578 1
1 1023 . 7 1 1 A 91 91 ASP CA C 125 50.430 52.910 -2.480 1
1 1024 . 7 1 1 A 91 91 ASP CB C 125 43.100 44.689 -1.589 1
1 1025 . 7 1 1 A 91 91 ASP N N 125 115.317 115.611 -0.294 1
1 1026 . 7 1 1 A 92 92 LEU H H 126 8.883 9.159 -0.276 1
1 1027 . 7 1 1 A 92 92 LEU HA H 126 4.189 4.818 -0.629 1
1 1037 . 7 1 1 A 92 92 LEU CA C 126 52.500 51.315 1.185 1
1 1038 . 7 1 1 A 92 92 LEU CB C 126 41.600 42.941 -1.341 1
1 1042 . 7 1 1 A 92 92 LEU N N 126 125.329 123.410 1.919 1
1 1043 . 7 1 1 A 93 93 PRO HA H 127 4.860 4.651 0.209 1
1 1050 . 7 1 1 A 93 93 PRO CA C 127 59.800 61.593 -1.793 1
1 1051 . 7 1 1 A 93 93 PRO CB C 127 29.970 32.020 -2.050 1
1 1054 . 7 1 1 A 94 94 PRO HA H 128 4.210 4.184 0.026 1
1 1061 . 7 1 1 A 94 94 PRO CA C 128 65.000 65.239 -0.239 1
1 1062 . 7 1 1 A 94 94 PRO CB C 128 31.430 31.836 -0.406 1
1 1065 . 7 1 1 A 95 95 HIS H H 129 7.922 8.192 -0.270 1
1 1066 . 7 1 1 A 95 95 HIS HA H 129 4.640 4.558 0.082 1
1 1071 . 7 1 1 A 95 95 HIS CA C 129 56.900 56.159 0.741 1
1 1072 . 7 1 1 A 95 95 HIS CB C 129 28.550 29.917 -1.367 1
1 1075 . 7 1 1 A 95 95 HIS N N 129 112.757 114.303 -1.546 1
1 1076 . 7 1 1 A 96 96 LEU H H 130 7.717 7.548 0.169 1
1 1077 . 7 1 1 A 96 96 LEU HA H 130 4.640 4.768 -0.128 1
1 1087 . 7 1 1 A 96 96 LEU CA C 130 53.300 54.416 -1.116 1
1 1088 . 7 1 1 A 96 96 LEU CB C 130 42.370 42.877 -0.507 1
1 1092 . 7 1 1 A 96 96 LEU N N 130 121.128 119.095 2.033 1
1 1093 . 7 1 1 A 97 97 VAL H H 131 7.184 7.377 -0.193 1
1 1094 . 7 1 1 A 97 97 VAL HA H 131 3.730 4.080 -0.350 1
1 1102 . 7 1 1 A 97 97 VAL CA C 131 60.640 59.870 0.770 1
1 1103 . 7 1 1 A 97 97 VAL CB C 131 31.420 32.011 -0.591 1
1 1106 . 7 1 1 A 97 97 VAL N N 131 125.572 121.239 4.333 1
1 1107 . 7 1 1 A 98 98 PRO HA H 132 2.680 3.220 -0.540 1
1 1114 . 7 1 1 A 98 98 PRO CA C 132 59.880 61.230 -1.350 1
1 1115 . 7 1 1 A 98 98 PRO CB C 132 30.700 31.901 -1.201 1
1 1118 . 7 1 1 A 99 99 PRO HA H 133 3.600 4.031 -0.431 1
1 1125 . 7 1 1 A 99 99 PRO CA C 133 64.990 65.233 -0.243 1
1 1126 . 7 1 1 A 99 99 PRO CB C 133 31.400 31.791 -0.391 1
1 1129 . 7 1 1 A 100 100 SER H H 134 9.200 8.104 1.096 1
1 1130 . 7 1 1 A 100 100 SER HA H 134 4.150 4.354 -0.204 1
1 1133 . 7 1 1 A 100 100 SER CA C 134 59.880 59.487 0.393 1
1 1134 . 7 1 1 A 100 100 SER CB C 134 61.340 63.357 -2.017 1
1 1135 . 7 1 1 A 100 100 SER N N 134 115.005 112.528 2.477 1
1 1136 . 7 1 1 A 101 101 LYS H H 135 7.867 7.731 0.136 1
1 1137 . 7 1 1 A 101 101 LYS HA H 135 4.447 4.528 -0.081 1
1 1146 . 7 1 1 A 101 101 LYS CA C 135 52.600 55.176 -2.576 1
1 1147 . 7 1 1 A 101 101 LYS CB C 135 30.700 32.676 -1.976 1
1 1151 . 7 1 1 A 101 101 LYS N N 135 121.053 117.970 3.083 1
1 1152 . 7 1 1 A 102 102 ARG H H 136 7.077 7.511 -0.434 1
1 1153 . 7 1 1 A 102 102 ARG HA H 136 4.100 4.877 -0.777 1
1 1164 . 7 1 1 A 102 102 ARG CA C 136 55.500 55.169 0.331 1
1 1165 . 7 1 1 A 102 102 ARG CB C 136 30.000 32.024 -2.024 1
1 1168 . 7 1 1 A 102 102 ARG N N 136 121.939 117.438 4.501 1
1 1169 . 7 1 1 A 103 103 ARG H H 137 8.289 8.675 -0.386 1
1 1170 . 7 1 1 A 103 103 ARG HA H 137 4.290 4.911 -0.621 1
1 1181 . 7 1 1 A 103 103 ARG CA C 137 54.770 55.134 -0.364 1
1 1182 . 7 1 1 A 103 103 ARG CB C 137 30.000 31.246 -1.246 1
1 1185 . 7 1 1 A 103 103 ARG N N 137 123.504 123.138 0.366 1
1 1186 . 7 1 1 A 104 104 HIS H H 138 8.370 8.770 -0.400 1
1 1187 . 7 1 1 A 104 104 HIS HA H 138 4.660 5.041 -0.381 1
1 1192 . 7 1 1 A 104 104 HIS CA C 138 54.040 54.161 -0.121 1
1 1193 . 7 1 1 A 104 104 HIS CB C 138 29.240 31.484 -2.244 1
1 1 . 8 1 1 A 7 7 ASP H H 41 8.479 8.889 -0.410 1
1 2 . 8 1 1 A 7 7 ASP HA H 41 4.595 4.851 -0.256 1
1 5 . 8 1 1 A 7 7 ASP CA C 41 52.900 53.423 -0.523 1
1 6 . 8 1 1 A 7 7 ASP CB C 41 39.760 40.836 -1.076 1
1 7 . 8 1 1 A 7 7 ASP N N 41 124.447 125.842 -1.395 1
1 8 . 8 1 1 A 8 8 VAL H H 42 7.916 8.463 -0.547 1
1 9 . 8 1 1 A 8 8 VAL HA H 42 4.140 4.752 -0.612 1
1 17 . 8 1 1 A 8 8 VAL CA C 42 60.610 60.245 0.365 1
1 18 . 8 1 1 A 8 8 VAL CB C 42 32.160 33.783 -1.623 1
1 21 . 8 1 1 A 8 8 VAL N N 42 120.853 126.481 -5.628 1
1 22 . 8 1 1 A 9 9 GLU H H 43 8.476 8.514 -0.038 1
1 23 . 8 1 1 A 9 9 GLU HA H 43 4.290 4.472 -0.182 1
1 28 . 8 1 1 A 9 9 GLU CA C 43 55.500 56.454 -0.954 1
1 29 . 8 1 1 A 9 9 GLU CB C 43 29.400 30.021 -0.621 1
1 31 . 8 1 1 A 9 9 GLU N N 43 127.650 125.655 1.995 1
1 32 . 8 1 1 A 10 10 TRP H H 44 8.839 8.882 -0.043 1
1 33 . 8 1 1 A 10 10 TRP HA H 44 5.220 4.926 0.294 1
1 42 . 8 1 1 A 10 10 TRP CA C 44 54.040 55.788 -1.748 1
1 43 . 8 1 1 A 10 10 TRP CB C 44 27.800 29.551 -1.751 1
1 49 . 8 1 1 A 10 10 TRP N N 44 126.378 128.015 -1.637 1
1 50 . 8 1 1 A 11 11 VAL H H 45 9.230 8.474 0.756 1
1 51 . 8 1 1 A 11 11 VAL HA H 45 3.891 3.684 0.207 1
1 59 . 8 1 1 A 11 11 VAL CA C 45 63.530 64.706 -1.176 1
1 60 . 8 1 1 A 11 11 VAL CB C 45 30.700 31.194 -0.494 1
1 63 . 8 1 1 A 11 11 VAL N N 45 131.353 126.196 5.157 1
1 64 . 8 1 1 A 12 12 VAL H H 46 5.000 6.864 -1.864 1
1 65 . 8 1 1 A 12 12 VAL HA H 46 3.033 3.023 0.010 1
1 73 . 8 1 1 A 12 12 VAL CA C 46 60.650 65.331 -4.681 1
1 74 . 8 1 1 A 12 12 VAL CB C 46 29.280 30.208 -0.928 1
1 77 . 8 1 1 A 13 13 GLY H H 47 7.330 8.228 -0.898 1
1 78 . 8 1 1 A 13 13 GLY HA2 H 47 3.580 3.956 -0.376 1
1 79 . 8 1 1 A 13 13 GLY HA3 H 47 4.180 4.020 0.160 1
1 80 . 8 1 1 A 13 13 GLY CA C 47 46.760 46.428 0.332 1
1 81 . 8 1 1 A 14 14 LYS H H 48 7.570 8.128 -0.558 1
1 82 . 8 1 1 A 14 14 LYS HA H 48 4.065 4.109 -0.044 1
1 91 . 8 1 1 A 14 14 LYS CA C 48 57.700 58.645 -0.945 1
1 92 . 8 1 1 A 14 14 LYS CB C 48 30.700 32.233 -1.533 1
1 96 . 8 1 1 A 14 14 LYS N N 48 121.084 117.537 3.547 1
1 97 . 8 1 1 A 15 15 ASP H H 49 7.309 7.315 -0.006 1
1 98 . 8 1 1 A 15 15 ASP HA H 49 4.778 4.844 -0.066 1
1 101 . 8 1 1 A 15 15 ASP CA C 49 52.880 53.450 -0.570 1
1 102 . 8 1 1 A 15 15 ASP CB C 49 42.300 41.464 0.836 1
1 103 . 8 1 1 A 15 15 ASP N N 49 118.181 119.066 -0.885 1
1 104 . 8 1 1 A 16 16 LYS H H 50 7.506 8.021 -0.515 1
1 105 . 8 1 1 A 16 16 LYS HA H 50 4.061 4.129 -0.068 1
1 114 . 8 1 1 A 16 16 LYS CA C 50 60.610 61.423 -0.813 1
1 115 . 8 1 1 A 16 16 LYS CB C 50 30.700 30.328 0.372 1
1 119 . 8 1 1 A 16 16 LYS N N 50 123.633 120.244 3.389 1
1 120 . 8 1 1 A 17 17 PRO HA H 51 4.430 4.923 -0.493 1
1 127 . 8 1 1 A 17 17 PRO CA C 51 65.720 66.264 -0.544 1
1 128 . 8 1 1 A 17 17 PRO CB C 51 29.970 30.772 -0.802 1
1 131 . 8 1 1 A 18 18 THR H H 52 7.280 7.563 -0.283 1
1 132 . 8 1 1 A 18 18 THR HA H 52 3.970 4.059 -0.089 1
1 137 . 8 1 1 A 18 18 THR CA C 52 64.990 65.202 -0.212 1
1 138 . 8 1 1 A 18 18 THR CB C 52 67.170 68.268 -1.098 1
1 140 . 8 1 1 A 18 18 THR N N 52 115.095 112.211 2.884 1
1 141 . 8 1 1 A 19 19 TYR H H 53 7.083 7.463 -0.380 1
1 142 . 8 1 1 A 19 19 TYR HA H 53 4.716 4.433 0.283 1
1 149 . 8 1 1 A 19 19 TYR CA C 53 57.400 61.956 -4.556 1
1 150 . 8 1 1 A 19 19 TYR CB C 53 35.800 37.670 -1.870 1
1 155 . 8 1 1 A 19 19 TYR N N 53 125.380 119.032 6.348 1
1 156 . 8 1 1 A 20 20 ASP H H 54 9.596 8.729 0.867 1
1 157 . 8 1 1 A 20 20 ASP HA H 54 4.492 4.837 -0.345 1
1 160 . 8 1 1 A 20 20 ASP CA C 54 56.200 56.689 -0.489 1
1 161 . 8 1 1 A 20 20 ASP CB C 54 38.730 40.433 -1.703 1
1 162 . 8 1 1 A 20 20 ASP N N 54 124.548 119.369 5.179 1
1 163 . 8 1 1 A 21 21 GLU H H 55 7.309 8.188 -0.879 1
1 164 . 8 1 1 A 21 21 GLU HA H 55 4.140 4.158 -0.018 1
1 169 . 8 1 1 A 21 21 GLU CA C 55 58.420 59.316 -0.896 1
1 170 . 8 1 1 A 21 21 GLU CB C 55 29.250 29.592 -0.342 1
1 172 . 8 1 1 A 21 21 GLU N N 55 118.181 119.884 -1.703 1
1 173 . 8 1 1 A 22 22 ILE H H 56 7.249 7.846 -0.597 1
1 174 . 8 1 1 A 22 22 ILE HA H 56 3.940 4.192 -0.252 1
1 184 . 8 1 1 A 22 22 ILE CA C 56 62.870 63.861 -0.991 1
1 185 . 8 1 1 A 22 22 ILE CB C 56 38.000 36.557 1.443 1
1 189 . 8 1 1 A 22 22 ILE N N 56 118.978 120.721 -1.743 1
1 190 . 8 1 1 A 23 23 PHE H H 57 9.117 8.664 0.453 1
1 191 . 8 1 1 A 23 23 PHE HA H 57 3.090 4.145 -1.055 1
1 199 . 8 1 1 A 23 23 PHE CA C 57 61.300 61.775 -0.475 1
1 200 . 8 1 1 A 23 23 PHE CB C 57 38.730 39.336 -0.606 1
1 206 . 8 1 1 A 23 23 PHE N N 57 127.639 122.677 4.962 1
1 207 . 8 1 1 A 24 24 TYR H H 58 7.922 8.796 -0.874 1
1 208 . 8 1 1 A 24 24 TYR HA H 58 3.990 4.498 -0.508 1
1 215 . 8 1 1 A 24 24 TYR CA C 58 60.610 61.052 -0.442 1
1 216 . 8 1 1 A 24 24 TYR CB C 58 36.540 37.724 -1.184 1
1 221 . 8 1 1 A 24 24 TYR N N 58 112.757 115.534 -2.777 1
1 222 . 8 1 1 A 25 25 THR H H 59 8.081 7.870 0.211 1
1 223 . 8 1 1 A 25 25 THR HA H 59 4.640 4.353 0.287 1
1 229 . 8 1 1 A 25 25 THR CA C 59 62.070 63.324 -1.254 1
1 230 . 8 1 1 A 25 25 THR CB C 59 68.630 69.487 -0.857 1
1 232 . 8 1 1 A 25 25 THR N N 59 112.676 111.132 1.544 1
1 233 . 8 1 1 A 26 26 LEU H H 60 7.373 7.111 0.262 1
1 234 . 8 1 1 A 26 26 LEU HA H 60 4.460 4.346 0.114 1
1 244 . 8 1 1 A 26 26 LEU CA C 60 52.600 54.003 -1.403 1
1 245 . 8 1 1 A 26 26 LEU CB C 60 39.400 41.757 -2.357 1
1 249 . 8 1 1 A 26 26 LEU N N 60 125.808 120.469 5.339 1
1 250 . 8 1 1 A 27 27 SER H H 61 7.860 7.871 -0.011 1
1 251 . 8 1 1 A 27 27 SER HA H 61 3.980 4.121 -0.141 1
1 254 . 8 1 1 A 27 27 SER CA C 61 56.960 58.425 -1.465 1
1 255 . 8 1 1 A 27 27 SER CB C 61 60.640 61.694 -1.054 1
1 256 . 8 1 1 A 27 27 SER N N 61 111.582 112.359 -0.777 1
1 257 . 8 1 1 A 28 28 PRO HA H 62 4.190 4.375 -0.185 1
1 264 . 8 1 1 A 28 28 PRO CA C 62 62.070 62.082 -0.012 1
1 265 . 8 1 1 A 28 28 PRO CB C 62 29.970 32.091 -2.121 1
1 268 . 8 1 1 A 29 29 VAL H H 63 8.744 8.989 -0.245 1
1 269 . 8 1 1 A 29 29 VAL HA H 63 4.180 4.642 -0.462 1
1 277 . 8 1 1 A 29 29 VAL CA C 63 60.640 59.843 0.797 1
1 278 . 8 1 1 A 29 29 VAL CB C 63 33.620 34.263 -0.643 1
1 281 . 8 1 1 A 29 29 VAL N N 63 124.299 116.781 7.518 1
1 282 . 8 1 1 A 30 30 ASN H H 64 9.713 9.494 0.219 1
1 283 . 8 1 1 A 30 30 ASN HA H 64 4.410 4.457 -0.047 1
1 288 . 8 1 1 A 30 30 ASN CA C 64 53.320 54.489 -1.169 1
1 289 . 8 1 1 A 30 30 ASN CB C 64 36.540 36.934 -0.394 1
1 290 . 8 1 1 A 30 30 ASN N N 64 129.729 121.997 7.732 1
1 292 . 8 1 1 A 31 31 GLY H H 65 8.862 8.620 0.242 1
1 293 . 8 1 1 A 31 31 GLY HA2 H 65 3.770 3.893 -0.123 1
1 294 . 8 1 1 A 31 31 GLY HA3 H 65 4.250 3.940 0.310 1
1 295 . 8 1 1 A 31 31 GLY CA C 65 44.560 45.579 -1.019 1
1 296 . 8 1 1 A 31 31 GLY N N 65 130.641 104.609 26.032 1
1 297 . 8 1 1 A 32 32 LYS H H 66 7.501 7.626 -0.125 1
1 298 . 8 1 1 A 32 32 LYS HA H 66 5.400 5.521 -0.121 1
1 307 . 8 1 1 A 32 32 LYS CA C 66 54.040 54.395 -0.355 1
1 308 . 8 1 1 A 32 32 LYS CB C 66 36.540 36.379 0.161 1
1 312 . 8 1 1 A 32 32 LYS N N 66 118.738 119.523 -0.785 1
1 313 . 8 1 1 A 33 33 ILE H H 67 9.230 8.891 0.339 1
1 314 . 8 1 1 A 33 33 ILE HA H 67 5.010 4.676 0.334 1
1 324 . 8 1 1 A 33 33 ILE CA C 67 57.690 59.151 -1.461 1
1 325 . 8 1 1 A 33 33 ILE CB C 67 40.190 40.181 0.009 1
1 329 . 8 1 1 A 33 33 ILE N N 67 118.166 118.857 -0.691 1
1 330 . 8 1 1 A 34 34 THR H H 68 8.262 8.394 -0.132 1
1 331 . 8 1 1 A 34 34 THR HA H 68 4.530 4.569 -0.039 1
1 337 . 8 1 1 A 34 34 THR CA C 68 59.100 60.757 -1.657 1
1 338 . 8 1 1 A 34 34 THR CB C 68 70.000 70.530 -0.530 1
1 340 . 8 1 1 A 34 34 THR N N 68 111.971 113.941 -1.970 1
1 341 . 8 1 1 A 35 35 GLY H H 69 9.000 8.583 0.417 1
1 342 . 8 1 1 A 35 35 GLY HA2 H 69 3.540 3.711 -0.171 1
1 343 . 8 1 1 A 35 35 GLY HA3 H 69 3.830 4.069 -0.239 1
1 344 . 8 1 1 A 35 35 GLY CA C 69 47.480 46.962 0.518 1
1 345 . 8 1 1 A 35 35 GLY N N 69 110.304 109.857 0.447 1
1 346 . 8 1 1 A 36 36 ALA H H 70 8.336 7.992 0.344 1
1 347 . 8 1 1 A 36 36 ALA HA H 70 3.880 3.958 -0.078 1
1 351 . 8 1 1 A 36 36 ALA CA C 70 54.040 54.720 -0.680 1
1 352 . 8 1 1 A 36 36 ALA CB C 70 17.570 18.468 -0.898 1
1 353 . 8 1 1 A 36 36 ALA N N 70 123.822 124.390 -0.568 1
1 354 . 8 1 1 A 37 37 ASN H H 71 7.560 7.608 -0.048 1
1 355 . 8 1 1 A 37 37 ASN HA H 71 4.680 4.552 0.128 1
1 360 . 8 1 1 A 37 37 ASN CA C 71 54.040 55.923 -1.883 1
1 361 . 8 1 1 A 37 37 ASN CB C 71 36.500 38.210 -1.710 1
1 362 . 8 1 1 A 37 37 ASN N N 71 118.643 116.958 1.685 1
1 364 . 8 1 1 A 38 38 ALA H H 72 8.810 7.874 0.936 1
1 365 . 8 1 1 A 38 38 ALA HA H 72 4.100 4.310 -0.210 1
1 369 . 8 1 1 A 38 38 ALA CA C 72 54.770 55.589 -0.819 1
1 370 . 8 1 1 A 38 38 ALA CB C 72 18.240 19.086 -0.846 1
1 371 . 8 1 1 A 38 38 ALA N N 72 123.731 122.891 0.840 1
1 372 . 8 1 1 A 39 39 LYS H H 73 8.837 8.234 0.603 1
1 373 . 8 1 1 A 39 39 LYS HA H 73 3.940 3.907 0.033 1
1 382 . 8 1 1 A 39 39 LYS CA C 73 59.130 59.755 -0.625 1
1 383 . 8 1 1 A 39 39 LYS CB C 73 31.430 32.319 -0.889 1
1 387 . 8 1 1 A 39 39 LYS N N 73 120.046 118.582 1.464 1
1 388 . 8 1 1 A 40 40 LYS H H 74 7.319 7.574 -0.255 1
1 389 . 8 1 1 A 40 40 LYS HA H 74 3.990 4.142 -0.152 1
1 398 . 8 1 1 A 40 40 LYS CA C 74 58.470 59.429 -0.959 1
1 399 . 8 1 1 A 40 40 LYS CB C 74 31.430 32.194 -0.764 1
1 403 . 8 1 1 A 40 40 LYS N N 74 118.778 118.722 0.056 1
1 404 . 8 1 1 A 41 41 GLU H H 75 7.111 7.909 -0.798 1
1 405 . 8 1 1 A 41 41 GLU HA H 75 4.420 4.212 0.208 1
1 410 . 8 1 1 A 41 41 GLU CA C 75 56.200 59.115 -2.915 1
1 411 . 8 1 1 A 41 41 GLU CB C 75 29.240 29.271 -0.031 1
1 413 . 8 1 1 A 41 41 GLU N N 75 117.703 119.775 -2.072 1
1 414 . 8 1 1 A 42 42 MET H H 76 8.603 8.389 0.214 1
1 415 . 8 1 1 A 42 42 MET HA H 76 4.010 4.293 -0.283 1
1 423 . 8 1 1 A 42 42 MET CA C 76 59.100 58.990 0.110 1
1 424 . 8 1 1 A 42 42 MET CB C 76 33.620 32.882 0.738 1
1 427 . 8 1 1 A 42 42 MET N N 76 121.344 119.019 2.325 1
1 428 . 8 1 1 A 43 43 VAL H H 77 8.661 7.773 0.888 1
1 429 . 8 1 1 A 43 43 VAL HA H 77 4.063 3.961 0.102 1
1 437 . 8 1 1 A 43 43 VAL CA C 77 63.530 65.116 -1.586 1
1 438 . 8 1 1 A 43 43 VAL CB C 77 30.700 31.625 -0.925 1
1 441 . 8 1 1 A 43 43 VAL N N 77 117.339 114.928 2.411 1
1 442 . 8 1 1 A 44 44 LYS H H 78 7.464 7.656 -0.192 1
1 443 . 8 1 1 A 44 44 LYS HA H 78 4.110 4.152 -0.042 1
1 452 . 8 1 1 A 44 44 LYS CA C 78 58.400 59.386 -0.986 1
1 453 . 8 1 1 A 44 44 LYS CB C 78 31.430 32.174 -0.744 1
1 457 . 8 1 1 A 44 44 LYS N N 78 124.308 121.713 2.595 1
1 458 . 8 1 1 A 45 45 SER H H 79 7.534 7.770 -0.236 1
1 459 . 8 1 1 A 45 45 SER HA H 79 4.071 4.394 -0.323 1
1 462 . 8 1 1 A 45 45 SER CA C 79 59.880 59.097 0.783 1
1 463 . 8 1 1 A 45 45 SER CB C 79 65.000 64.352 0.648 1
1 464 . 8 1 1 A 45 45 SER N N 79 114.575 111.342 3.233 1
1 465 . 8 1 1 A 46 46 LYS H H 80 7.822 7.845 -0.023 1
1 466 . 8 1 1 A 46 46 LYS HA H 80 3.930 3.808 0.122 1
1 475 . 8 1 1 A 46 46 LYS CA C 80 57.000 57.310 -0.310 1
1 476 . 8 1 1 A 46 46 LYS CB C 80 28.510 29.082 -0.572 1
1 480 . 8 1 1 A 46 46 LYS N N 80 114.855 116.155 -1.300 1
1 481 . 8 1 1 A 47 47 LEU H H 81 7.505 7.872 -0.367 1
1 482 . 8 1 1 A 47 47 LEU HA H 81 4.470 4.478 -0.008 1
1 492 . 8 1 1 A 47 47 LEU CA C 81 52.600 52.758 -0.158 1
1 493 . 8 1 1 A 47 47 LEU CB C 81 40.920 41.305 -0.385 1
1 497 . 8 1 1 A 47 47 LEU N N 81 122.848 119.798 3.050 1
1 498 . 8 1 1 A 48 48 PRO HA H 82 4.510 4.554 -0.044 1
1 505 . 8 1 1 A 48 48 PRO CA C 82 61.340 62.955 -1.615 1
1 506 . 8 1 1 A 48 48 PRO CB C 82 32.100 32.734 -0.634 1
1 509 . 8 1 1 A 49 49 ASN H H 83 7.580 8.667 -1.087 1
1 510 . 8 1 1 A 49 49 ASN HA H 83 4.240 4.402 -0.162 1
1 515 . 8 1 1 A 49 49 ASN CA C 83 56.200 56.527 -0.327 1
1 516 . 8 1 1 A 49 49 ASN CB C 83 37.270 38.151 -0.881 1
1 518 . 8 1 1 A 50 50 THR H H 84 7.010 8.156 -1.146 1
1 519 . 8 1 1 A 50 50 THR HA H 84 4.030 4.022 0.008 1
1 524 . 8 1 1 A 50 50 THR CA C 84 63.500 65.813 -2.313 1
1 525 . 8 1 1 A 50 50 THR CB C 84 67.170 68.104 -0.934 1
1 527 . 8 1 1 A 51 51 VAL H H 85 6.887 8.224 -1.337 1
1 528 . 8 1 1 A 51 51 VAL HA H 85 3.650 3.710 -0.060 1
1 536 . 8 1 1 A 51 51 VAL CA C 85 64.200 66.873 -2.673 1
1 537 . 8 1 1 A 51 51 VAL CB C 85 30.700 31.422 -0.722 1
1 540 . 8 1 1 A 51 51 VAL N N 85 125.031 122.566 2.465 1
1 541 . 8 1 1 A 52 52 LEU H H 86 8.043 8.272 -0.229 1
1 542 . 8 1 1 A 52 52 LEU HA H 86 3.730 4.053 -0.323 1
1 552 . 8 1 1 A 52 52 LEU CA C 86 56.960 57.832 -0.872 1
1 553 . 8 1 1 A 52 52 LEU CB C 86 39.430 41.581 -2.151 1
1 557 . 8 1 1 A 52 52 LEU N N 86 121.307 120.083 1.224 1
1 558 . 8 1 1 A 53 53 GLY H H 87 8.420 8.047 0.373 1
1 559 . 8 1 1 A 53 53 GLY HA2 H 87 3.890 3.787 0.103 1
1 560 . 8 1 1 A 53 53 GLY HA3 H 87 3.980 3.810 0.170 1
1 561 . 8 1 1 A 53 53 GLY CA C 87 46.020 47.271 -1.251 1
1 562 . 8 1 1 A 53 53 GLY N N 87 108.274 107.358 0.916 1
1 563 . 8 1 1 A 54 54 LYS H H 88 7.327 7.931 -0.604 1
1 564 . 8 1 1 A 54 54 LYS HA H 88 4.130 4.108 0.022 1
1 573 . 8 1 1 A 54 54 LYS CA C 88 58.420 59.273 -0.853 1
1 574 . 8 1 1 A 54 54 LYS CB C 88 31.430 32.005 -0.575 1
1 578 . 8 1 1 A 54 54 LYS N N 88 125.389 122.243 3.146 1
1 579 . 8 1 1 A 55 55 ILE H H 89 8.075 8.339 -0.264 1
1 580 . 8 1 1 A 55 55 ILE HA H 89 3.470 3.637 -0.167 1
1 590 . 8 1 1 A 55 55 ILE CA C 89 65.720 65.638 0.082 1
1 591 . 8 1 1 A 55 55 ILE CB C 89 36.540 37.847 -1.307 1
1 595 . 8 1 1 A 55 55 ILE N N 89 122.261 120.115 2.146 1
1 596 . 8 1 1 A 56 56 TRP H H 90 8.706 8.480 0.226 1
1 597 . 8 1 1 A 56 56 TRP HA H 90 3.810 4.208 -0.398 1
1 606 . 8 1 1 A 56 56 TRP CA C 90 60.610 60.190 0.420 1
1 607 . 8 1 1 A 56 56 TRP CB C 90 27.790 29.938 -2.148 1
1 613 . 8 1 1 A 56 56 TRP N N 90 121.947 121.787 0.160 1
1 615 . 8 1 1 A 57 57 LYS H H 91 7.581 8.220 -0.639 1
1 616 . 8 1 1 A 57 57 LYS HA H 91 3.960 4.192 -0.232 1
1 625 . 8 1 1 A 57 57 LYS CA C 91 58.420 59.431 -1.011 1
1 626 . 8 1 1 A 57 57 LYS CB C 91 31.430 32.313 -0.883 1
1 630 . 8 1 1 A 57 57 LYS N N 91 116.801 118.764 -1.963 1
1 631 . 8 1 1 A 58 58 LEU H H 92 7.571 7.612 -0.041 1
1 632 . 8 1 1 A 58 58 LEU HA H 92 3.990 4.174 -0.184 1
1 642 . 8 1 1 A 58 58 LEU CA C 92 56.200 57.005 -0.805 1
1 643 . 8 1 1 A 58 58 LEU CB C 92 43.100 42.684 0.416 1
1 647 . 8 1 1 A 58 58 LEU N N 92 119.520 120.708 -1.188 1
1 648 . 8 1 1 A 59 59 ALA H H 93 8.135 7.870 0.265 1
1 649 . 8 1 1 A 59 59 ALA HA H 93 4.120 4.219 -0.099 1
1 653 . 8 1 1 A 59 59 ALA CA C 93 52.590 54.793 -2.203 1
1 654 . 8 1 1 A 59 59 ALA CB C 93 18.300 18.408 -0.108 1
1 655 . 8 1 1 A 59 59 ALA N N 93 120.126 120.663 -0.537 1
1 656 . 8 1 1 A 60 60 ASP H H 94 7.530 7.732 -0.202 1
1 657 . 8 1 1 A 60 60 ASP HA H 94 4.540 4.307 0.233 1
1 660 . 8 1 1 A 60 60 ASP CA C 94 51.100 53.882 -2.782 1
1 661 . 8 1 1 A 60 60 ASP CB C 94 35.840 40.436 -4.596 1
1 662 . 8 1 1 A 60 60 ASP N N 94 115.380 116.944 -1.564 1
1 663 . 8 1 1 A 61 61 VAL H H 95 8.340 8.177 0.163 1
1 664 . 8 1 1 A 61 61 VAL HA H 95 3.500 3.645 -0.145 1
1 672 . 8 1 1 A 61 61 VAL CA C 95 65.000 65.936 -0.936 1
1 673 . 8 1 1 A 61 61 VAL CB C 95 31.430 31.836 -0.406 1
1 676 . 8 1 1 A 61 61 VAL N N 95 129.560 124.591 4.969 1
1 677 . 8 1 1 A 62 62 ASP H H 96 7.927 7.533 0.394 1
1 678 . 8 1 1 A 62 62 ASP HA H 96 4.530 4.568 -0.038 1
1 681 . 8 1 1 A 62 62 ASP CA C 96 51.800 53.845 -2.045 1
1 682 . 8 1 1 A 62 62 ASP CB C 96 38.700 41.172 -2.472 1
1 683 . 8 1 1 A 62 62 ASP N N 96 115.789 116.957 -1.168 1
1 684 . 8 1 1 A 63 63 LYS H H 97 7.551 7.457 0.094 1
1 685 . 8 1 1 A 63 63 LYS HA H 97 3.860 4.703 -0.843 1
1 694 . 8 1 1 A 63 63 LYS CA C 97 56.960 57.151 -0.191 1
1 695 . 8 1 1 A 63 63 LYS CB C 97 28.520 30.008 -1.488 1
1 699 . 8 1 1 A 63 63 LYS N N 97 115.740 115.460 0.280 1
1 700 . 8 1 1 A 64 64 ASP H H 98 8.363 8.073 0.290 1
1 701 . 8 1 1 A 64 64 ASP HA H 98 4.660 4.786 -0.126 1
1 704 . 8 1 1 A 64 64 ASP CA C 98 52.600 52.980 -0.380 1
1 705 . 8 1 1 A 64 64 ASP CB C 98 40.190 40.972 -0.782 1
1 706 . 8 1 1 A 64 64 ASP N N 98 120.463 118.835 1.628 1
1 707 . 8 1 1 A 65 65 GLY H H 99 10.641 8.677 1.964 1
1 708 . 8 1 1 A 65 65 GLY HA2 H 99 3.850 3.997 -0.147 1
1 709 . 8 1 1 A 65 65 GLY HA3 H 99 4.322 4.176 0.146 1
1 710 . 8 1 1 A 65 65 GLY CA C 99 44.800 45.844 -1.044 1
1 711 . 8 1 1 A 65 65 GLY N N 99 115.730 111.417 4.313 1
1 712 . 8 1 1 A 66 66 LEU H H 100 8.157 8.018 0.139 1
1 713 . 8 1 1 A 66 66 LEU HA H 100 5.120 5.198 -0.078 1
1 723 . 8 1 1 A 66 66 LEU CA C 100 52.600 53.079 -0.479 1
1 724 . 8 1 1 A 66 66 LEU CB C 100 44.600 45.724 -1.124 1
1 728 . 8 1 1 A 66 66 LEU N N 100 123.435 122.146 1.289 1
1 729 . 8 1 1 A 67 67 LEU H H 101 8.687 9.263 -0.576 1
1 730 . 8 1 1 A 67 67 LEU HA H 101 5.800 5.155 0.645 1
1 740 . 8 1 1 A 67 67 LEU CA C 101 51.860 53.621 -1.761 1
1 741 . 8 1 1 A 67 67 LEU CB C 101 42.370 44.765 -2.395 1
1 745 . 8 1 1 A 67 67 LEU N N 101 121.109 122.177 -1.068 1
1 746 . 8 1 1 A 68 68 ASP H H 102 9.229 8.775 0.454 1
1 747 . 8 1 1 A 68 68 ASP HA H 102 5.610 4.846 0.764 1
1 750 . 8 1 1 A 68 68 ASP CA C 102 51.130 54.178 -3.048 1
1 751 . 8 1 1 A 68 68 ASP CB C 102 40.190 41.956 -1.766 1
1 752 . 8 1 1 A 68 68 ASP N N 102 124.386 123.915 0.471 1
1 753 . 8 1 1 A 69 69 ASP H H 103 8.529 8.396 0.133 1
1 754 . 8 1 1 A 69 69 ASP HA H 103 2.830 3.262 -0.432 1
1 757 . 8 1 1 A 69 69 ASP CA C 103 56.230 56.172 0.058 1
1 758 . 8 1 1 A 69 69 ASP CB C 103 37.238 39.392 -2.154 1
1 759 . 8 1 1 A 69 69 ASP N N 103 117.423 121.076 -3.653 1
1 760 . 8 1 1 A 70 70 GLU H H 104 7.991 7.992 -0.001 1
1 761 . 8 1 1 A 70 70 GLU HA H 104 4.061 4.278 -0.217 1
1 766 . 8 1 1 A 70 70 GLU CA C 104 59.130 59.422 -0.292 1
1 767 . 8 1 1 A 70 70 GLU CB C 104 29.134 29.145 -0.011 1
1 769 . 8 1 1 A 70 70 GLU N N 104 124.895 120.446 4.449 1
1 770 . 8 1 1 A 71 71 GLU H H 105 8.742 8.352 0.390 1
1 771 . 8 1 1 A 71 71 GLU HA H 105 4.000 4.232 -0.232 1
1 776 . 8 1 1 A 71 71 GLU CA C 105 59.150 58.464 0.686 1
1 777 . 8 1 1 A 71 71 GLU CB C 105 30.700 28.369 2.331 1
1 779 . 8 1 1 A 71 71 GLU N N 105 123.465 118.470 4.995 1
1 780 . 8 1 1 A 72 72 PHE H H 106 9.426 8.753 0.673 1
1 781 . 8 1 1 A 72 72 PHE HA H 106 4.230 4.164 0.066 1
1 789 . 8 1 1 A 72 72 PHE CA C 106 59.900 61.471 -1.571 1
1 790 . 8 1 1 A 72 72 PHE CB C 106 38.730 38.683 0.047 1
1 796 . 8 1 1 A 72 72 PHE N N 106 120.806 121.534 -0.728 1
1 797 . 8 1 1 A 73 73 ALA H H 107 8.085 8.246 -0.161 1
1 798 . 8 1 1 A 73 73 ALA HA H 107 3.770 3.786 -0.016 1
1 802 . 8 1 1 A 73 73 ALA CA C 107 54.040 55.179 -1.139 1
1 803 . 8 1 1 A 73 73 ALA CB C 107 16.870 18.084 -1.214 1
1 804 . 8 1 1 A 73 73 ALA N N 107 126.845 121.317 5.528 1
1 805 . 8 1 1 A 74 74 LEU H H 108 8.431 7.882 0.549 1
1 806 . 8 1 1 A 74 74 LEU HA H 108 4.050 3.996 0.054 1
1 816 . 8 1 1 A 74 74 LEU CA C 108 56.960 57.726 -0.766 1
1 817 . 8 1 1 A 74 74 LEU CB C 108 41.600 41.586 0.014 1
1 821 . 8 1 1 A 74 74 LEU N N 108 121.250 120.382 0.868 1
1 822 . 8 1 1 A 75 75 ALA H H 109 8.651 8.430 0.221 1
1 823 . 8 1 1 A 75 75 ALA HA H 109 3.657 3.949 -0.292 1
1 827 . 8 1 1 A 75 75 ALA CA C 109 54.770 55.650 -0.880 1
1 828 . 8 1 1 A 75 75 ALA CB C 109 16.110 18.050 -1.940 1
1 829 . 8 1 1 A 75 75 ALA N N 109 122.981 120.894 2.087 1
1 830 . 8 1 1 A 76 76 ASN H H 110 7.240 7.757 -0.517 1
1 831 . 8 1 1 A 76 76 ASN HA H 110 3.790 4.202 -0.412 1
1 836 . 8 1 1 A 76 76 ASN CA C 110 55.540 55.922 -0.382 1
1 837 . 8 1 1 A 76 76 ASN CB C 110 37.200 37.086 0.114 1
1 838 . 8 1 1 A 76 76 ASN N N 110 115.681 116.449 -0.768 1
1 840 . 8 1 1 A 77 77 HIS H H 111 8.345 7.908 0.437 1
1 841 . 8 1 1 A 77 77 HIS HA H 111 4.094 4.314 -0.220 1
1 846 . 8 1 1 A 77 77 HIS CA C 111 59.150 59.316 -0.166 1
1 847 . 8 1 1 A 77 77 HIS CB C 111 30.700 29.721 0.979 1
1 850 . 8 1 1 A 77 77 HIS N N 111 124.686 120.877 3.809 1
1 851 . 8 1 1 A 78 78 LEU H H 112 8.290 8.319 -0.029 1
1 852 . 8 1 1 A 78 78 LEU HA H 112 3.810 3.809 0.001 1
1 862 . 8 1 1 A 78 78 LEU CA C 112 56.200 58.091 -1.891 1
1 863 . 8 1 1 A 78 78 LEU CB C 112 41.600 41.722 -0.122 1
1 867 . 8 1 1 A 78 78 LEU N N 112 119.085 119.635 -0.550 1
1 868 . 8 1 1 A 79 79 ILE H H 113 7.792 8.338 -0.546 1
1 869 . 8 1 1 A 79 79 ILE HA H 113 3.290 3.468 -0.178 1
1 879 . 8 1 1 A 79 79 ILE CA C 113 65.000 65.734 -0.734 1
1 880 . 8 1 1 A 79 79 ILE CB C 113 37.200 37.888 -0.688 1
1 884 . 8 1 1 A 79 79 ILE N N 113 121.304 119.508 1.796 1
1 885 . 8 1 1 A 80 80 LYS H H 114 7.546 8.268 -0.722 1
1 886 . 8 1 1 A 80 80 LYS HA H 114 3.820 3.958 -0.138 1
1 895 . 8 1 1 A 80 80 LYS CA C 114 59.100 59.812 -0.712 1
1 896 . 8 1 1 A 80 80 LYS CB C 114 30.700 32.236 -1.536 1
1 900 . 8 1 1 A 80 80 LYS N N 114 122.150 121.084 1.066 1
1 901 . 8 1 1 A 81 81 VAL H H 115 8.110 7.853 0.257 1
1 902 . 8 1 1 A 81 81 VAL HA H 115 3.740 3.509 0.231 1
1 910 . 8 1 1 A 81 81 VAL CA C 115 64.900 66.706 -1.806 1
1 911 . 8 1 1 A 81 81 VAL CB C 115 30.720 31.351 -0.631 1
1 914 . 8 1 1 A 81 81 VAL N N 115 118.999 118.893 0.106 1
1 915 . 8 1 1 A 82 82 LYS H H 116 7.853 7.955 -0.102 1
1 916 . 8 1 1 A 82 82 LYS HA H 116 4.540 4.077 0.463 1
1 925 . 8 1 1 A 82 82 LYS CA C 116 56.230 59.365 -3.135 1
1 926 . 8 1 1 A 82 82 LYS CB C 116 30.700 32.125 -1.425 1
1 930 . 8 1 1 A 82 82 LYS N N 116 123.030 120.187 2.843 1
1 931 . 8 1 1 A 83 83 LEU H H 117 8.959 8.467 0.492 1
1 932 . 8 1 1 A 83 83 LEU HA H 117 4.080 4.026 0.054 1
1 942 . 8 1 1 A 83 83 LEU CA C 117 56.900 57.563 -0.663 1
1 943 . 8 1 1 A 83 83 LEU CB C 117 40.920 40.917 0.003 1
1 947 . 8 1 1 A 83 83 LEU N N 117 125.378 119.183 6.195 1
1 948 . 8 1 1 A 84 84 GLU H H 118 7.817 8.076 -0.259 1
1 949 . 8 1 1 A 84 84 GLU HA H 118 4.150 4.392 -0.242 1
1 954 . 8 1 1 A 84 84 GLU CA C 118 56.200 56.744 -0.544 1
1 955 . 8 1 1 A 84 84 GLU CB C 118 29.200 30.316 -1.116 1
1 957 . 8 1 1 A 84 84 GLU N N 118 119.766 118.289 1.477 1
1 958 . 8 1 1 A 85 85 GLY H H 119 7.862 8.171 -0.309 1
1 959 . 8 1 1 A 85 85 GLY HA2 H 119 3.640 3.820 -0.180 1
1 960 . 8 1 1 A 85 85 GLY HA3 H 119 4.140 3.875 0.265 1
1 961 . 8 1 1 A 85 85 GLY CA C 119 43.800 45.663 -1.863 1
1 962 . 8 1 1 A 85 85 GLY N N 119 107.902 108.427 -0.525 1
1 963 . 8 1 1 A 86 86 HIS H H 120 7.714 8.095 -0.381 1
1 964 . 8 1 1 A 86 86 HIS HA H 120 4.680 5.035 -0.355 1
1 969 . 8 1 1 A 86 86 HIS CA C 120 54.000 55.213 -1.213 1
1 970 . 8 1 1 A 86 86 HIS CB C 120 30.000 34.281 -4.281 1
1 972 . 8 1 1 A 86 86 HIS N N 120 122.124 116.946 5.178 1
1 973 . 8 1 1 A 87 87 GLU H H 121 8.491 9.008 -0.517 1
1 974 . 8 1 1 A 87 87 GLU HA H 121 4.300 5.013 -0.713 1
1 979 . 8 1 1 A 87 87 GLU CA C 121 54.040 54.528 -0.488 1
1 980 . 8 1 1 A 87 87 GLU CB C 121 29.240 33.350 -4.110 1
1 982 . 8 1 1 A 87 87 GLU N N 121 121.826 121.208 0.618 1
1 983 . 8 1 1 A 88 88 LEU H H 122 8.672 8.744 -0.072 1
1 984 . 8 1 1 A 88 88 LEU HA H 122 4.410 4.951 -0.541 1
1 994 . 8 1 1 A 88 88 LEU CA C 122 51.130 51.236 -0.106 1
1 995 . 8 1 1 A 88 88 LEU CB C 122 40.200 43.345 -3.145 1
1 999 . 8 1 1 A 88 88 LEU N N 122 125.316 123.008 2.308 1
1 1000 . 8 1 1 A 89 89 PRO HA H 123 4.560 4.407 0.153 1
1 1007 . 8 1 1 A 89 89 PRO CA C 123 61.340 63.983 -2.643 1
1 1008 . 8 1 1 A 89 89 PRO CB C 123 30.700 31.925 -1.225 1
1 1011 . 8 1 1 A 90 90 ALA H H 124 8.464 7.967 0.497 1
1 1012 . 8 1 1 A 90 90 ALA HA H 124 4.063 3.950 0.113 1
1 1016 . 8 1 1 A 90 90 ALA CA C 124 53.320 53.591 -0.271 1
1 1017 . 8 1 1 A 90 90 ALA CB C 124 18.300 18.015 0.285 1
1 1018 . 8 1 1 A 90 90 ALA N N 124 123.603 120.351 3.252 1
1 1019 . 8 1 1 A 91 91 ASP H H 125 7.482 7.779 -0.297 1
1 1020 . 8 1 1 A 91 91 ASP HA H 125 4.640 5.184 -0.544 1
1 1023 . 8 1 1 A 91 91 ASP CA C 125 50.430 52.819 -2.389 1
1 1024 . 8 1 1 A 91 91 ASP CB C 125 43.100 44.835 -1.735 1
1 1025 . 8 1 1 A 91 91 ASP N N 125 115.317 116.302 -0.985 1
1 1026 . 8 1 1 A 92 92 LEU H H 126 8.883 9.024 -0.141 1
1 1027 . 8 1 1 A 92 92 LEU HA H 126 4.189 4.874 -0.685 1
1 1037 . 8 1 1 A 92 92 LEU CA C 126 52.500 51.559 0.941 1
1 1038 . 8 1 1 A 92 92 LEU CB C 126 41.600 42.705 -1.105 1
1 1042 . 8 1 1 A 92 92 LEU N N 126 125.329 123.083 2.246 1
1 1043 . 8 1 1 A 93 93 PRO HA H 127 4.860 4.696 0.164 1
1 1050 . 8 1 1 A 93 93 PRO CA C 127 59.800 61.688 -1.888 1
1 1051 . 8 1 1 A 93 93 PRO CB C 127 29.970 32.201 -2.231 1
1 1054 . 8 1 1 A 94 94 PRO HA H 128 4.210 4.259 -0.049 1
1 1061 . 8 1 1 A 94 94 PRO CA C 128 65.000 65.454 -0.454 1
1 1062 . 8 1 1 A 94 94 PRO CB C 128 31.430 32.017 -0.587 1
1 1065 . 8 1 1 A 95 95 HIS H H 129 7.922 8.380 -0.458 1
1 1066 . 8 1 1 A 95 95 HIS HA H 129 4.640 4.587 0.053 1
1 1071 . 8 1 1 A 95 95 HIS CA C 129 56.900 56.106 0.794 1
1 1072 . 8 1 1 A 95 95 HIS CB C 129 28.550 29.927 -1.377 1
1 1075 . 8 1 1 A 95 95 HIS N N 129 112.757 113.666 -0.909 1
1 1076 . 8 1 1 A 96 96 LEU H H 130 7.717 7.881 -0.164 1
1 1077 . 8 1 1 A 96 96 LEU HA H 130 4.640 4.642 -0.002 1
1 1087 . 8 1 1 A 96 96 LEU CA C 130 53.300 54.474 -1.174 1
1 1088 . 8 1 1 A 96 96 LEU CB C 130 42.370 43.578 -1.208 1
1 1092 . 8 1 1 A 96 96 LEU N N 130 121.128 118.851 2.277 1
1 1093 . 8 1 1 A 97 97 VAL H H 131 7.184 7.358 -0.174 1
1 1094 . 8 1 1 A 97 97 VAL HA H 131 3.730 4.133 -0.403 1
1 1102 . 8 1 1 A 97 97 VAL CA C 131 60.640 59.936 0.704 1
1 1103 . 8 1 1 A 97 97 VAL CB C 131 31.420 32.043 -0.623 1
1 1106 . 8 1 1 A 97 97 VAL N N 131 125.572 121.261 4.311 1
1 1107 . 8 1 1 A 98 98 PRO HA H 132 2.680 3.014 -0.334 1
1 1114 . 8 1 1 A 98 98 PRO CA C 132 59.880 61.296 -1.416 1
1 1115 . 8 1 1 A 98 98 PRO CB C 132 30.700 31.516 -0.816 1
1 1118 . 8 1 1 A 99 99 PRO HA H 133 3.600 4.056 -0.456 1
1 1125 . 8 1 1 A 99 99 PRO CA C 133 64.990 64.761 0.229 1
1 1126 . 8 1 1 A 99 99 PRO CB C 133 31.400 31.725 -0.325 1
1 1129 . 8 1 1 A 100 100 SER H H 134 9.200 7.502 1.698 1
1 1130 . 8 1 1 A 100 100 SER HA H 134 4.150 4.221 -0.071 1
1 1133 . 8 1 1 A 100 100 SER CA C 134 59.880 60.182 -0.302 1
1 1134 . 8 1 1 A 100 100 SER CB C 134 61.340 62.749 -1.409 1
1 1135 . 8 1 1 A 100 100 SER N N 134 115.005 112.126 2.879 1
1 1136 . 8 1 1 A 101 101 LYS H H 135 7.867 7.572 0.295 1
1 1137 . 8 1 1 A 101 101 LYS HA H 135 4.447 4.384 0.063 1
1 1146 . 8 1 1 A 101 101 LYS CA C 135 52.600 55.645 -3.045 1
1 1147 . 8 1 1 A 101 101 LYS CB C 135 30.700 33.346 -2.646 1
1 1151 . 8 1 1 A 101 101 LYS N N 135 121.053 119.283 1.770 1
1 1152 . 8 1 1 A 102 102 ARG H H 136 7.077 7.443 -0.366 1
1 1153 . 8 1 1 A 102 102 ARG HA H 136 4.100 4.437 -0.337 1
1 1164 . 8 1 1 A 102 102 ARG CA C 136 55.500 55.572 -0.072 1
1 1165 . 8 1 1 A 102 102 ARG CB C 136 30.000 30.487 -0.487 1
1 1168 . 8 1 1 A 102 102 ARG N N 136 121.939 119.245 2.694 1
1 1169 . 8 1 1 A 103 103 ARG H H 137 8.289 8.877 -0.588 1
1 1170 . 8 1 1 A 103 103 ARG HA H 137 4.290 4.878 -0.588 1
1 1181 . 8 1 1 A 103 103 ARG CA C 137 54.770 55.100 -0.330 1
1 1182 . 8 1 1 A 103 103 ARG CB C 137 30.000 32.224 -2.224 1
1 1185 . 8 1 1 A 103 103 ARG N N 137 123.504 125.571 -2.067 1
1 1186 . 8 1 1 A 104 104 HIS H H 138 8.370 8.819 -0.449 1
1 1187 . 8 1 1 A 104 104 HIS HA H 138 4.660 5.345 -0.685 1
1 1192 . 8 1 1 A 104 104 HIS CA C 138 54.040 54.477 -0.437 1
1 1193 . 8 1 1 A 104 104 HIS CB C 138 29.240 33.547 -4.307 1
1 1 . 9 1 1 A 7 7 ASP H H 41 8.479 8.983 -0.504 1
1 2 . 9 1 1 A 7 7 ASP HA H 41 4.595 5.092 -0.497 1
1 5 . 9 1 1 A 7 7 ASP CA C 41 52.900 52.833 0.067 1
1 6 . 9 1 1 A 7 7 ASP CB C 41 39.760 42.011 -2.251 1
1 7 . 9 1 1 A 7 7 ASP N N 41 124.447 127.794 -3.347 1
1 8 . 9 1 1 A 8 8 VAL H H 42 7.916 8.491 -0.575 1
1 9 . 9 1 1 A 8 8 VAL HA H 42 4.140 4.336 -0.196 1
1 17 . 9 1 1 A 8 8 VAL CA C 42 60.610 61.648 -1.038 1
1 18 . 9 1 1 A 8 8 VAL CB C 42 32.160 32.945 -0.785 1
1 21 . 9 1 1 A 8 8 VAL N N 42 120.853 124.200 -3.347 1
1 22 . 9 1 1 A 9 9 GLU H H 43 8.476 8.665 -0.189 1
1 23 . 9 1 1 A 9 9 GLU HA H 43 4.290 4.425 -0.135 1
1 28 . 9 1 1 A 9 9 GLU CA C 43 55.500 56.978 -1.478 1
1 29 . 9 1 1 A 9 9 GLU CB C 43 29.400 29.996 -0.596 1
1 31 . 9 1 1 A 9 9 GLU N N 43 127.650 122.329 5.321 1
1 32 . 9 1 1 A 10 10 TRP H H 44 8.839 8.641 0.198 1
1 33 . 9 1 1 A 10 10 TRP HA H 44 5.220 4.804 0.416 1
1 42 . 9 1 1 A 10 10 TRP CA C 44 54.040 55.872 -1.832 1
1 43 . 9 1 1 A 10 10 TRP CB C 44 27.800 29.523 -1.723 1
1 49 . 9 1 1 A 10 10 TRP N N 44 126.378 125.538 0.840 1
1 50 . 9 1 1 A 11 11 VAL H H 45 9.230 8.160 1.070 1
1 51 . 9 1 1 A 11 11 VAL HA H 45 3.891 3.876 0.015 1
1 59 . 9 1 1 A 11 11 VAL CA C 45 63.530 63.544 -0.014 1
1 60 . 9 1 1 A 11 11 VAL CB C 45 30.700 31.381 -0.681 1
1 63 . 9 1 1 A 11 11 VAL N N 45 131.353 125.191 6.162 1
1 64 . 9 1 1 A 12 12 VAL H H 46 5.000 6.862 -1.862 1
1 65 . 9 1 1 A 12 12 VAL HA H 46 3.033 3.029 0.004 1
1 73 . 9 1 1 A 12 12 VAL CA C 46 60.650 63.450 -2.800 1
1 74 . 9 1 1 A 12 12 VAL CB C 46 29.280 31.235 -1.955 1
1 77 . 9 1 1 A 13 13 GLY H H 47 7.330 7.814 -0.484 1
1 78 . 9 1 1 A 13 13 GLY HA2 H 47 3.580 3.853 -0.273 1
1 79 . 9 1 1 A 13 13 GLY HA3 H 47 4.180 4.092 0.088 1
1 80 . 9 1 1 A 13 13 GLY CA C 47 46.760 46.060 0.700 1
1 81 . 9 1 1 A 14 14 LYS H H 48 7.570 7.861 -0.291 1
1 82 . 9 1 1 A 14 14 LYS HA H 48 4.065 4.123 -0.058 1
1 91 . 9 1 1 A 14 14 LYS CA C 48 57.700 58.693 -0.993 1
1 92 . 9 1 1 A 14 14 LYS CB C 48 30.700 31.996 -1.296 1
1 96 . 9 1 1 A 14 14 LYS N N 48 121.084 117.559 3.525 1
1 97 . 9 1 1 A 15 15 ASP H H 49 7.309 7.623 -0.314 1
1 98 . 9 1 1 A 15 15 ASP HA H 49 4.778 4.880 -0.102 1
1 101 . 9 1 1 A 15 15 ASP CA C 49 52.880 53.454 -0.574 1
1 102 . 9 1 1 A 15 15 ASP CB C 49 42.300 41.559 0.741 1
1 103 . 9 1 1 A 15 15 ASP N N 49 118.181 119.286 -1.105 1
1 104 . 9 1 1 A 16 16 LYS H H 50 7.506 7.667 -0.161 1
1 105 . 9 1 1 A 16 16 LYS HA H 50 4.061 4.172 -0.111 1
1 114 . 9 1 1 A 16 16 LYS CA C 50 60.610 61.246 -0.636 1
1 115 . 9 1 1 A 16 16 LYS CB C 50 30.700 31.487 -0.787 1
1 119 . 9 1 1 A 16 16 LYS N N 50 123.633 120.866 2.767 1
1 120 . 9 1 1 A 17 17 PRO HA H 51 4.430 4.220 0.210 1
1 127 . 9 1 1 A 17 17 PRO CA C 51 65.720 65.951 -0.231 1
1 128 . 9 1 1 A 17 17 PRO CB C 51 29.970 30.911 -0.941 1
1 131 . 9 1 1 A 18 18 THR H H 52 7.280 7.523 -0.243 1
1 132 . 9 1 1 A 18 18 THR HA H 52 3.970 3.963 0.007 1
1 137 . 9 1 1 A 18 18 THR CA C 52 64.990 65.223 -0.233 1
1 138 . 9 1 1 A 18 18 THR CB C 52 67.170 68.067 -0.897 1
1 140 . 9 1 1 A 18 18 THR N N 52 115.095 112.335 2.760 1
1 141 . 9 1 1 A 19 19 TYR H H 53 7.083 7.320 -0.237 1
1 142 . 9 1 1 A 19 19 TYR HA H 53 4.716 4.432 0.284 1
1 149 . 9 1 1 A 19 19 TYR CA C 53 57.400 62.036 -4.636 1
1 150 . 9 1 1 A 19 19 TYR CB C 53 35.800 37.166 -1.366 1
1 155 . 9 1 1 A 19 19 TYR N N 53 125.380 119.857 5.523 1
1 156 . 9 1 1 A 20 20 ASP H H 54 9.596 8.464 1.132 1
1 157 . 9 1 1 A 20 20 ASP HA H 54 4.492 4.266 0.226 1
1 160 . 9 1 1 A 20 20 ASP CA C 54 56.200 57.197 -0.997 1
1 161 . 9 1 1 A 20 20 ASP CB C 54 38.730 39.976 -1.246 1
1 162 . 9 1 1 A 20 20 ASP N N 54 124.548 121.515 3.033 1
1 163 . 9 1 1 A 21 21 GLU H H 55 7.309 7.978 -0.669 1
1 164 . 9 1 1 A 21 21 GLU HA H 55 4.140 3.942 0.198 1
1 169 . 9 1 1 A 21 21 GLU CA C 55 58.420 59.057 -0.637 1
1 170 . 9 1 1 A 21 21 GLU CB C 55 29.250 29.601 -0.351 1
1 172 . 9 1 1 A 21 21 GLU N N 55 118.181 119.515 -1.334 1
1 173 . 9 1 1 A 22 22 ILE H H 56 7.249 7.810 -0.561 1
1 174 . 9 1 1 A 22 22 ILE HA H 56 3.940 3.941 -0.001 1
1 184 . 9 1 1 A 22 22 ILE CA C 56 62.870 65.296 -2.426 1
1 185 . 9 1 1 A 22 22 ILE CB C 56 38.000 38.090 -0.090 1
1 189 . 9 1 1 A 22 22 ILE N N 56 118.978 120.698 -1.720 1
1 190 . 9 1 1 A 23 23 PHE H H 57 9.117 8.711 0.406 1
1 191 . 9 1 1 A 23 23 PHE HA H 57 3.090 3.694 -0.604 1
1 199 . 9 1 1 A 23 23 PHE CA C 57 61.300 61.461 -0.161 1
1 200 . 9 1 1 A 23 23 PHE CB C 57 38.730 38.988 -0.258 1
1 206 . 9 1 1 A 23 23 PHE N N 57 127.639 121.389 6.250 1
1 207 . 9 1 1 A 24 24 TYR H H 58 7.922 8.311 -0.389 1
1 208 . 9 1 1 A 24 24 TYR HA H 58 3.990 4.344 -0.354 1
1 215 . 9 1 1 A 24 24 TYR CA C 58 60.610 60.963 -0.353 1
1 216 . 9 1 1 A 24 24 TYR CB C 58 36.540 38.631 -2.091 1
1 221 . 9 1 1 A 24 24 TYR N N 58 112.757 114.086 -1.329 1
1 222 . 9 1 1 A 25 25 THR H H 59 8.081 8.039 0.042 1
1 223 . 9 1 1 A 25 25 THR HA H 59 4.640 4.309 0.331 1
1 229 . 9 1 1 A 25 25 THR CA C 59 62.070 64.377 -2.307 1
1 230 . 9 1 1 A 25 25 THR CB C 59 68.630 68.881 -0.251 1
1 232 . 9 1 1 A 25 25 THR N N 59 112.676 113.398 -0.722 1
1 233 . 9 1 1 A 26 26 LEU H H 60 7.373 7.502 -0.129 1
1 234 . 9 1 1 A 26 26 LEU HA H 60 4.460 4.295 0.165 1
1 244 . 9 1 1 A 26 26 LEU CA C 60 52.600 54.425 -1.825 1
1 245 . 9 1 1 A 26 26 LEU CB C 60 39.400 41.891 -2.491 1
1 249 . 9 1 1 A 26 26 LEU N N 60 125.808 120.240 5.568 1
1 250 . 9 1 1 A 27 27 SER H H 61 7.860 7.664 0.196 1
1 251 . 9 1 1 A 27 27 SER HA H 61 3.980 4.107 -0.127 1
1 254 . 9 1 1 A 27 27 SER CA C 61 56.960 58.629 -1.669 1
1 255 . 9 1 1 A 27 27 SER CB C 61 60.640 61.746 -1.106 1
1 256 . 9 1 1 A 27 27 SER N N 61 111.582 113.249 -1.667 1
1 257 . 9 1 1 A 28 28 PRO HA H 62 4.190 4.321 -0.131 1
1 264 . 9 1 1 A 28 28 PRO CA C 62 62.070 62.214 -0.144 1
1 265 . 9 1 1 A 28 28 PRO CB C 62 29.970 32.380 -2.410 1
1 268 . 9 1 1 A 29 29 VAL H H 63 8.744 8.831 -0.087 1
1 269 . 9 1 1 A 29 29 VAL HA H 63 4.180 4.578 -0.398 1
1 277 . 9 1 1 A 29 29 VAL CA C 63 60.640 59.834 0.806 1
1 278 . 9 1 1 A 29 29 VAL CB C 63 33.620 33.980 -0.360 1
1 281 . 9 1 1 A 29 29 VAL N N 63 124.299 116.319 7.980 1
1 282 . 9 1 1 A 30 30 ASN H H 64 9.713 9.505 0.208 1
1 283 . 9 1 1 A 30 30 ASN HA H 64 4.410 4.451 -0.041 1
1 288 . 9 1 1 A 30 30 ASN CA C 64 53.320 54.516 -1.196 1
1 289 . 9 1 1 A 30 30 ASN CB C 64 36.540 36.972 -0.432 1
1 290 . 9 1 1 A 30 30 ASN N N 64 129.729 121.875 7.854 1
1 292 . 9 1 1 A 31 31 GLY H H 65 8.862 8.639 0.223 1
1 293 . 9 1 1 A 31 31 GLY HA2 H 65 3.770 3.923 -0.153 1
1 294 . 9 1 1 A 31 31 GLY HA3 H 65 4.250 3.995 0.255 1
1 295 . 9 1 1 A 31 31 GLY CA C 65 44.560 45.570 -1.010 1
1 296 . 9 1 1 A 31 31 GLY N N 65 130.641 104.684 25.957 1
1 297 . 9 1 1 A 32 32 LYS H H 66 7.501 7.812 -0.311 1
1 298 . 9 1 1 A 32 32 LYS HA H 66 5.400 5.645 -0.245 1
1 307 . 9 1 1 A 32 32 LYS CA C 66 54.040 54.440 -0.400 1
1 308 . 9 1 1 A 32 32 LYS CB C 66 36.540 36.299 0.241 1
1 312 . 9 1 1 A 32 32 LYS N N 66 118.738 119.766 -1.028 1
1 313 . 9 1 1 A 33 33 ILE H H 67 9.230 8.954 0.276 1
1 314 . 9 1 1 A 33 33 ILE HA H 67 5.010 4.966 0.044 1
1 324 . 9 1 1 A 33 33 ILE CA C 67 57.690 59.213 -1.523 1
1 325 . 9 1 1 A 33 33 ILE CB C 67 40.190 41.059 -0.869 1
1 329 . 9 1 1 A 33 33 ILE N N 67 118.166 119.041 -0.875 1
1 330 . 9 1 1 A 34 34 THR H H 68 8.262 8.443 -0.181 1
1 331 . 9 1 1 A 34 34 THR HA H 68 4.530 4.729 -0.199 1
1 337 . 9 1 1 A 34 34 THR CA C 68 59.100 59.920 -0.820 1
1 338 . 9 1 1 A 34 34 THR CB C 68 70.000 71.392 -1.392 1
1 340 . 9 1 1 A 34 34 THR N N 68 111.971 114.311 -2.340 1
1 341 . 9 1 1 A 35 35 GLY H H 69 9.000 8.902 0.098 1
1 342 . 9 1 1 A 35 35 GLY HA2 H 69 3.540 3.670 -0.130 1
1 343 . 9 1 1 A 35 35 GLY HA3 H 69 3.830 3.936 -0.106 1
1 344 . 9 1 1 A 35 35 GLY CA C 69 47.480 46.759 0.721 1
1 345 . 9 1 1 A 35 35 GLY N N 69 110.304 109.156 1.148 1
1 346 . 9 1 1 A 36 36 ALA H H 70 8.336 7.960 0.376 1
1 347 . 9 1 1 A 36 36 ALA HA H 70 3.880 3.944 -0.064 1
1 351 . 9 1 1 A 36 36 ALA CA C 70 54.040 54.607 -0.567 1
1 352 . 9 1 1 A 36 36 ALA CB C 70 17.570 18.798 -1.228 1
1 353 . 9 1 1 A 36 36 ALA N N 70 123.822 124.285 -0.463 1
1 354 . 9 1 1 A 37 37 ASN H H 71 7.560 8.122 -0.562 1
1 355 . 9 1 1 A 37 37 ASN HA H 71 4.680 4.570 0.110 1
1 360 . 9 1 1 A 37 37 ASN CA C 71 54.040 55.738 -1.698 1
1 361 . 9 1 1 A 37 37 ASN CB C 71 36.500 38.037 -1.537 1
1 362 . 9 1 1 A 37 37 ASN N N 71 118.643 117.322 1.321 1
1 364 . 9 1 1 A 38 38 ALA H H 72 8.810 7.731 1.079 1
1 365 . 9 1 1 A 38 38 ALA HA H 72 4.100 4.351 -0.251 1
1 369 . 9 1 1 A 38 38 ALA CA C 72 54.770 55.298 -0.528 1
1 370 . 9 1 1 A 38 38 ALA CB C 72 18.240 18.929 -0.689 1
1 371 . 9 1 1 A 38 38 ALA N N 72 123.731 122.471 1.260 1
1 372 . 9 1 1 A 39 39 LYS H H 73 8.837 8.027 0.810 1
1 373 . 9 1 1 A 39 39 LYS HA H 73 3.940 3.949 -0.009 1
1 382 . 9 1 1 A 39 39 LYS CA C 73 59.130 59.700 -0.570 1
1 383 . 9 1 1 A 39 39 LYS CB C 73 31.430 32.295 -0.865 1
1 387 . 9 1 1 A 39 39 LYS N N 73 120.046 118.649 1.397 1
1 388 . 9 1 1 A 40 40 LYS H H 74 7.319 7.590 -0.271 1
1 389 . 9 1 1 A 40 40 LYS HA H 74 3.990 4.173 -0.183 1
1 398 . 9 1 1 A 40 40 LYS CA C 74 58.470 59.373 -0.903 1
1 399 . 9 1 1 A 40 40 LYS CB C 74 31.430 32.152 -0.722 1
1 403 . 9 1 1 A 40 40 LYS N N 74 118.778 118.602 0.176 1
1 404 . 9 1 1 A 41 41 GLU H H 75 7.111 7.794 -0.683 1
1 405 . 9 1 1 A 41 41 GLU HA H 75 4.420 4.204 0.216 1
1 410 . 9 1 1 A 41 41 GLU CA C 75 56.200 59.358 -3.158 1
1 411 . 9 1 1 A 41 41 GLU CB C 75 29.240 29.561 -0.321 1
1 413 . 9 1 1 A 41 41 GLU N N 75 117.703 119.868 -2.165 1
1 414 . 9 1 1 A 42 42 MET H H 76 8.603 8.492 0.111 1
1 415 . 9 1 1 A 42 42 MET HA H 76 4.010 4.186 -0.176 1
1 423 . 9 1 1 A 42 42 MET CA C 76 59.100 58.816 0.284 1
1 424 . 9 1 1 A 42 42 MET CB C 76 33.620 32.806 0.814 1
1 427 . 9 1 1 A 42 42 MET N N 76 121.344 119.243 2.101 1
1 428 . 9 1 1 A 43 43 VAL H H 77 8.661 8.229 0.432 1
1 429 . 9 1 1 A 43 43 VAL HA H 77 4.063 3.840 0.223 1
1 437 . 9 1 1 A 43 43 VAL CA C 77 63.530 64.811 -1.281 1
1 438 . 9 1 1 A 43 43 VAL CB C 77 30.700 31.519 -0.819 1
1 441 . 9 1 1 A 43 43 VAL N N 77 117.339 118.685 -1.346 1
1 442 . 9 1 1 A 44 44 LYS H H 78 7.464 7.983 -0.519 1
1 443 . 9 1 1 A 44 44 LYS HA H 78 4.110 4.190 -0.080 1
1 452 . 9 1 1 A 44 44 LYS CA C 78 58.400 59.328 -0.928 1
1 453 . 9 1 1 A 44 44 LYS CB C 78 31.430 32.151 -0.721 1
1 457 . 9 1 1 A 44 44 LYS N N 78 124.308 122.446 1.862 1
1 458 . 9 1 1 A 45 45 SER H H 79 7.534 7.586 -0.052 1
1 459 . 9 1 1 A 45 45 SER HA H 79 4.071 4.541 -0.470 1
1 462 . 9 1 1 A 45 45 SER CA C 79 59.880 58.332 1.548 1
1 463 . 9 1 1 A 45 45 SER CB C 79 65.000 63.365 1.635 1
1 464 . 9 1 1 A 45 45 SER N N 79 114.575 111.698 2.877 1
1 465 . 9 1 1 A 46 46 LYS H H 80 7.822 7.884 -0.062 1
1 466 . 9 1 1 A 46 46 LYS HA H 80 3.930 3.917 0.013 1
1 475 . 9 1 1 A 46 46 LYS CA C 80 57.000 57.657 -0.657 1
1 476 . 9 1 1 A 46 46 LYS CB C 80 28.510 29.176 -0.666 1
1 480 . 9 1 1 A 46 46 LYS N N 80 114.855 117.559 -2.704 1
1 481 . 9 1 1 A 47 47 LEU H H 81 7.505 7.337 0.168 1
1 482 . 9 1 1 A 47 47 LEU HA H 81 4.470 4.476 -0.006 1
1 492 . 9 1 1 A 47 47 LEU CA C 81 52.600 52.949 -0.349 1
1 493 . 9 1 1 A 47 47 LEU CB C 81 40.920 41.342 -0.422 1
1 497 . 9 1 1 A 47 47 LEU N N 81 122.848 120.093 2.755 1
1 498 . 9 1 1 A 48 48 PRO HA H 82 4.510 4.530 -0.020 1
1 505 . 9 1 1 A 48 48 PRO CA C 82 61.340 63.223 -1.883 1
1 506 . 9 1 1 A 48 48 PRO CB C 82 32.100 32.519 -0.419 1
1 509 . 9 1 1 A 49 49 ASN H H 83 7.580 8.805 -1.225 1
1 510 . 9 1 1 A 49 49 ASN HA H 83 4.240 4.396 -0.156 1
1 515 . 9 1 1 A 49 49 ASN CA C 83 56.200 55.832 0.368 1
1 516 . 9 1 1 A 49 49 ASN CB C 83 37.270 37.326 -0.056 1
1 518 . 9 1 1 A 50 50 THR H H 84 7.010 8.068 -1.058 1
1 519 . 9 1 1 A 50 50 THR HA H 84 4.030 4.017 0.013 1
1 524 . 9 1 1 A 50 50 THR CA C 84 63.500 66.838 -3.338 1
1 525 . 9 1 1 A 50 50 THR CB C 84 67.170 67.911 -0.741 1
1 527 . 9 1 1 A 51 51 VAL H H 85 6.887 7.795 -0.908 1
1 528 . 9 1 1 A 51 51 VAL HA H 85 3.650 3.612 0.038 1
1 536 . 9 1 1 A 51 51 VAL CA C 85 64.200 66.621 -2.421 1
1 537 . 9 1 1 A 51 51 VAL CB C 85 30.700 31.569 -0.869 1
1 540 . 9 1 1 A 51 51 VAL N N 85 125.031 122.240 2.791 1
1 541 . 9 1 1 A 52 52 LEU H H 86 8.043 8.505 -0.462 1
1 542 . 9 1 1 A 52 52 LEU HA H 86 3.730 4.055 -0.325 1
1 552 . 9 1 1 A 52 52 LEU CA C 86 56.960 58.013 -1.053 1
1 553 . 9 1 1 A 52 52 LEU CB C 86 39.430 41.713 -2.283 1
1 557 . 9 1 1 A 52 52 LEU N N 86 121.307 120.545 0.762 1
1 558 . 9 1 1 A 53 53 GLY H H 87 8.420 8.371 0.049 1
1 559 . 9 1 1 A 53 53 GLY HA2 H 87 3.890 3.669 0.221 1
1 560 . 9 1 1 A 53 53 GLY HA3 H 87 3.980 3.707 0.273 1
1 561 . 9 1 1 A 53 53 GLY CA C 87 46.020 47.330 -1.310 1
1 562 . 9 1 1 A 53 53 GLY N N 87 108.274 107.072 1.202 1
1 563 . 9 1 1 A 54 54 LYS H H 88 7.327 7.934 -0.607 1
1 564 . 9 1 1 A 54 54 LYS HA H 88 4.130 4.016 0.114 1
1 573 . 9 1 1 A 54 54 LYS CA C 88 58.420 59.452 -1.032 1
1 574 . 9 1 1 A 54 54 LYS CB C 88 31.430 32.478 -1.048 1
1 578 . 9 1 1 A 54 54 LYS N N 88 125.389 121.913 3.476 1
1 579 . 9 1 1 A 55 55 ILE H H 89 8.075 8.146 -0.071 1
1 580 . 9 1 1 A 55 55 ILE HA H 89 3.470 3.614 -0.144 1
1 590 . 9 1 1 A 55 55 ILE CA C 89 65.720 65.652 0.068 1
1 591 . 9 1 1 A 55 55 ILE CB C 89 36.540 37.837 -1.297 1
1 595 . 9 1 1 A 55 55 ILE N N 89 122.261 120.079 2.182 1
1 596 . 9 1 1 A 56 56 TRP H H 90 8.706 8.771 -0.065 1
1 597 . 9 1 1 A 56 56 TRP HA H 90 3.810 4.178 -0.368 1
1 606 . 9 1 1 A 56 56 TRP CA C 90 60.610 60.365 0.245 1
1 607 . 9 1 1 A 56 56 TRP CB C 90 27.790 29.983 -2.193 1
1 613 . 9 1 1 A 56 56 TRP N N 90 121.947 121.792 0.155 1
1 615 . 9 1 1 A 57 57 LYS H H 91 7.581 8.337 -0.756 1
1 616 . 9 1 1 A 57 57 LYS HA H 91 3.960 4.177 -0.217 1
1 625 . 9 1 1 A 57 57 LYS CA C 91 58.420 58.981 -0.561 1
1 626 . 9 1 1 A 57 57 LYS CB C 91 31.430 32.169 -0.739 1
1 630 . 9 1 1 A 57 57 LYS N N 91 116.801 119.587 -2.786 1
1 631 . 9 1 1 A 58 58 LEU H H 92 7.571 7.502 0.069 1
1 632 . 9 1 1 A 58 58 LEU HA H 92 3.990 4.191 -0.201 1
1 642 . 9 1 1 A 58 58 LEU CA C 92 56.200 57.072 -0.872 1
1 643 . 9 1 1 A 58 58 LEU CB C 92 43.100 42.640 0.460 1
1 647 . 9 1 1 A 58 58 LEU N N 92 119.520 120.784 -1.264 1
1 648 . 9 1 1 A 59 59 ALA H H 93 8.135 8.158 -0.023 1
1 649 . 9 1 1 A 59 59 ALA HA H 93 4.120 4.142 -0.022 1
1 653 . 9 1 1 A 59 59 ALA CA C 93 52.590 54.956 -2.366 1
1 654 . 9 1 1 A 59 59 ALA CB C 93 18.300 18.228 0.072 1
1 655 . 9 1 1 A 59 59 ALA N N 93 120.126 120.740 -0.614 1
1 656 . 9 1 1 A 60 60 ASP H H 94 7.530 7.412 0.118 1
1 657 . 9 1 1 A 60 60 ASP HA H 94 4.540 4.370 0.170 1
1 660 . 9 1 1 A 60 60 ASP CA C 94 51.100 54.019 -2.919 1
1 661 . 9 1 1 A 60 60 ASP CB C 94 35.840 40.504 -4.664 1
1 662 . 9 1 1 A 60 60 ASP N N 94 115.380 117.170 -1.790 1
1 663 . 9 1 1 A 61 61 VAL H H 95 8.340 8.128 0.212 1
1 664 . 9 1 1 A 61 61 VAL HA H 95 3.500 3.819 -0.319 1
1 672 . 9 1 1 A 61 61 VAL CA C 95 65.000 66.202 -1.202 1
1 673 . 9 1 1 A 61 61 VAL CB C 95 31.430 31.752 -0.322 1
1 676 . 9 1 1 A 61 61 VAL N N 95 129.560 124.677 4.883 1
1 677 . 9 1 1 A 62 62 ASP H H 96 7.927 7.582 0.345 1
1 678 . 9 1 1 A 62 62 ASP HA H 96 4.530 4.527 0.003 1
1 681 . 9 1 1 A 62 62 ASP CA C 96 51.800 53.667 -1.867 1
1 682 . 9 1 1 A 62 62 ASP CB C 96 38.700 40.518 -1.818 1
1 683 . 9 1 1 A 62 62 ASP N N 96 115.789 117.221 -1.432 1
1 684 . 9 1 1 A 63 63 LYS H H 97 7.551 7.798 -0.247 1
1 685 . 9 1 1 A 63 63 LYS HA H 97 3.860 4.753 -0.893 1
1 694 . 9 1 1 A 63 63 LYS CA C 97 56.960 57.117 -0.157 1
1 695 . 9 1 1 A 63 63 LYS CB C 97 28.520 29.022 -0.502 1
1 699 . 9 1 1 A 63 63 LYS N N 97 115.740 115.410 0.330 1
1 700 . 9 1 1 A 64 64 ASP H H 98 8.363 7.884 0.479 1
1 701 . 9 1 1 A 64 64 ASP HA H 98 4.660 4.609 0.051 1
1 704 . 9 1 1 A 64 64 ASP CA C 98 52.600 53.325 -0.725 1
1 705 . 9 1 1 A 64 64 ASP CB C 98 40.190 40.077 0.113 1
1 706 . 9 1 1 A 64 64 ASP N N 98 120.463 118.381 2.082 1
1 707 . 9 1 1 A 65 65 GLY H H 99 10.641 8.610 2.031 1
1 708 . 9 1 1 A 65 65 GLY HA2 H 99 3.850 4.060 -0.210 1
1 709 . 9 1 1 A 65 65 GLY HA3 H 99 4.322 4.307 0.015 1
1 710 . 9 1 1 A 65 65 GLY CA C 99 44.800 46.210 -1.410 1
1 711 . 9 1 1 A 65 65 GLY N N 99 115.730 110.994 4.736 1
1 712 . 9 1 1 A 66 66 LEU H H 100 8.157 7.897 0.260 1
1 713 . 9 1 1 A 66 66 LEU HA H 100 5.120 5.165 -0.045 1
1 723 . 9 1 1 A 66 66 LEU CA C 100 52.600 53.160 -0.560 1
1 724 . 9 1 1 A 66 66 LEU CB C 100 44.600 46.018 -1.418 1
1 728 . 9 1 1 A 66 66 LEU N N 100 123.435 121.509 1.926 1
1 729 . 9 1 1 A 67 67 LEU H H 101 8.687 9.223 -0.536 1
1 730 . 9 1 1 A 67 67 LEU HA H 101 5.800 5.026 0.774 1
1 740 . 9 1 1 A 67 67 LEU CA C 101 51.860 53.350 -1.490 1
1 741 . 9 1 1 A 67 67 LEU CB C 101 42.370 44.162 -1.792 1
1 745 . 9 1 1 A 67 67 LEU N N 101 121.109 122.410 -1.301 1
1 746 . 9 1 1 A 68 68 ASP H H 102 9.229 8.777 0.452 1
1 747 . 9 1 1 A 68 68 ASP HA H 102 5.610 4.804 0.806 1
1 750 . 9 1 1 A 68 68 ASP CA C 102 51.130 54.149 -3.019 1
1 751 . 9 1 1 A 68 68 ASP CB C 102 40.190 41.984 -1.794 1
1 752 . 9 1 1 A 68 68 ASP N N 102 124.386 123.982 0.404 1
1 753 . 9 1 1 A 69 69 ASP H H 103 8.529 8.959 -0.430 1
1 754 . 9 1 1 A 69 69 ASP HA H 103 2.830 3.147 -0.317 1
1 757 . 9 1 1 A 69 69 ASP CA C 103 56.230 56.170 0.060 1
1 758 . 9 1 1 A 69 69 ASP CB C 103 37.238 39.533 -2.295 1
1 759 . 9 1 1 A 69 69 ASP N N 103 117.423 121.121 -3.698 1
1 760 . 9 1 1 A 70 70 GLU H H 104 7.991 8.081 -0.090 1
1 761 . 9 1 1 A 70 70 GLU HA H 104 4.061 4.396 -0.335 1
1 766 . 9 1 1 A 70 70 GLU CA C 104 59.130 59.377 -0.247 1
1 767 . 9 1 1 A 70 70 GLU CB C 104 29.134 29.479 -0.345 1
1 769 . 9 1 1 A 70 70 GLU N N 104 124.895 120.644 4.251 1
1 770 . 9 1 1 A 71 71 GLU H H 105 8.742 8.216 0.526 1
1 771 . 9 1 1 A 71 71 GLU HA H 105 4.000 4.104 -0.104 1
1 776 . 9 1 1 A 71 71 GLU CA C 105 59.150 59.180 -0.030 1
1 777 . 9 1 1 A 71 71 GLU CB C 105 30.700 29.462 1.238 1
1 779 . 9 1 1 A 71 71 GLU N N 105 123.465 120.534 2.931 1
1 780 . 9 1 1 A 72 72 PHE H H 106 9.426 8.776 0.650 1
1 781 . 9 1 1 A 72 72 PHE HA H 106 4.230 4.258 -0.028 1
1 789 . 9 1 1 A 72 72 PHE CA C 106 59.900 61.768 -1.868 1
1 790 . 9 1 1 A 72 72 PHE CB C 106 38.730 39.192 -0.462 1
1 796 . 9 1 1 A 72 72 PHE N N 106 120.806 121.508 -0.702 1
1 797 . 9 1 1 A 73 73 ALA H H 107 8.085 8.141 -0.056 1
1 798 . 9 1 1 A 73 73 ALA HA H 107 3.770 3.603 0.167 1
1 802 . 9 1 1 A 73 73 ALA CA C 107 54.040 54.959 -0.919 1
1 803 . 9 1 1 A 73 73 ALA CB C 107 16.870 17.908 -1.038 1
1 804 . 9 1 1 A 73 73 ALA N N 107 126.845 121.172 5.673 1
1 805 . 9 1 1 A 74 74 LEU H H 108 8.431 8.186 0.245 1
1 806 . 9 1 1 A 74 74 LEU HA H 108 4.050 3.898 0.152 1
1 816 . 9 1 1 A 74 74 LEU CA C 108 56.960 57.698 -0.738 1
1 817 . 9 1 1 A 74 74 LEU CB C 108 41.600 41.539 0.061 1
1 821 . 9 1 1 A 74 74 LEU N N 108 121.250 119.771 1.479 1
1 822 . 9 1 1 A 75 75 ALA H H 109 8.651 8.437 0.214 1
1 823 . 9 1 1 A 75 75 ALA HA H 109 3.657 3.973 -0.316 1
1 827 . 9 1 1 A 75 75 ALA CA C 109 54.770 55.613 -0.843 1
1 828 . 9 1 1 A 75 75 ALA CB C 109 16.110 18.124 -2.014 1
1 829 . 9 1 1 A 75 75 ALA N N 109 122.981 121.112 1.869 1
1 830 . 9 1 1 A 76 76 ASN H H 110 7.240 8.090 -0.850 1
1 831 . 9 1 1 A 76 76 ASN HA H 110 3.790 4.164 -0.374 1
1 836 . 9 1 1 A 76 76 ASN CA C 110 55.540 55.985 -0.445 1
1 837 . 9 1 1 A 76 76 ASN CB C 110 37.200 38.116 -0.916 1
1 838 . 9 1 1 A 76 76 ASN N N 110 115.681 116.467 -0.786 1
1 840 . 9 1 1 A 77 77 HIS H H 111 8.345 7.860 0.485 1
1 841 . 9 1 1 A 77 77 HIS HA H 111 4.094 4.182 -0.088 1
1 846 . 9 1 1 A 77 77 HIS CA C 111 59.150 59.455 -0.305 1
1 847 . 9 1 1 A 77 77 HIS CB C 111 30.700 29.470 1.230 1
1 850 . 9 1 1 A 77 77 HIS N N 111 124.686 119.882 4.804 1
1 851 . 9 1 1 A 78 78 LEU H H 112 8.290 8.060 0.230 1
1 852 . 9 1 1 A 78 78 LEU HA H 112 3.810 3.863 -0.053 1
1 862 . 9 1 1 A 78 78 LEU CA C 112 56.200 57.765 -1.565 1
1 863 . 9 1 1 A 78 78 LEU CB C 112 41.600 41.088 0.512 1
1 867 . 9 1 1 A 78 78 LEU N N 112 119.085 119.044 0.041 1
1 868 . 9 1 1 A 79 79 ILE H H 113 7.792 8.324 -0.532 1
1 869 . 9 1 1 A 79 79 ILE HA H 113 3.290 3.459 -0.169 1
1 879 . 9 1 1 A 79 79 ILE CA C 113 65.000 65.812 -0.812 1
1 880 . 9 1 1 A 79 79 ILE CB C 113 37.200 37.916 -0.716 1
1 884 . 9 1 1 A 79 79 ILE N N 113 121.304 119.765 1.539 1
1 885 . 9 1 1 A 80 80 LYS H H 114 7.546 8.221 -0.675 1
1 886 . 9 1 1 A 80 80 LYS HA H 114 3.820 4.091 -0.271 1
1 895 . 9 1 1 A 80 80 LYS CA C 114 59.100 58.758 0.342 1
1 896 . 9 1 1 A 80 80 LYS CB C 114 30.700 31.806 -1.106 1
1 900 . 9 1 1 A 80 80 LYS N N 114 122.150 119.420 2.730 1
1 901 . 9 1 1 A 81 81 VAL H H 115 8.110 7.892 0.218 1
1 902 . 9 1 1 A 81 81 VAL HA H 115 3.740 3.692 0.048 1
1 910 . 9 1 1 A 81 81 VAL CA C 115 64.900 65.933 -1.033 1
1 911 . 9 1 1 A 81 81 VAL CB C 115 30.720 31.242 -0.522 1
1 914 . 9 1 1 A 81 81 VAL N N 115 118.999 119.571 -0.572 1
1 915 . 9 1 1 A 82 82 LYS H H 116 7.853 8.041 -0.188 1
1 916 . 9 1 1 A 82 82 LYS HA H 116 4.540 4.217 0.323 1
1 925 . 9 1 1 A 82 82 LYS CA C 116 56.230 59.127 -2.897 1
1 926 . 9 1 1 A 82 82 LYS CB C 116 30.700 32.186 -1.486 1
1 930 . 9 1 1 A 82 82 LYS N N 116 123.030 120.995 2.035 1
1 931 . 9 1 1 A 83 83 LEU H H 117 8.959 8.197 0.762 1
1 932 . 9 1 1 A 83 83 LEU HA H 117 4.080 4.011 0.069 1
1 942 . 9 1 1 A 83 83 LEU CA C 117 56.900 57.427 -0.527 1
1 943 . 9 1 1 A 83 83 LEU CB C 117 40.920 41.100 -0.180 1
1 947 . 9 1 1 A 83 83 LEU N N 117 125.378 119.183 6.195 1
1 948 . 9 1 1 A 84 84 GLU H H 118 7.817 7.551 0.266 1
1 949 . 9 1 1 A 84 84 GLU HA H 118 4.150 4.346 -0.196 1
1 954 . 9 1 1 A 84 84 GLU CA C 118 56.200 56.283 -0.083 1
1 955 . 9 1 1 A 84 84 GLU CB C 118 29.200 30.124 -0.924 1
1 957 . 9 1 1 A 84 84 GLU N N 118 119.766 117.105 2.661 1
1 958 . 9 1 1 A 85 85 GLY H H 119 7.862 8.074 -0.212 1
1 959 . 9 1 1 A 85 85 GLY HA2 H 119 3.640 3.711 -0.071 1
1 960 . 9 1 1 A 85 85 GLY HA3 H 119 4.140 3.789 0.351 1
1 961 . 9 1 1 A 85 85 GLY CA C 119 43.800 45.904 -2.104 1
1 962 . 9 1 1 A 85 85 GLY N N 119 107.902 108.641 -0.739 1
1 963 . 9 1 1 A 86 86 HIS H H 120 7.714 7.580 0.134 1
1 964 . 9 1 1 A 86 86 HIS HA H 120 4.680 4.838 -0.158 1
1 969 . 9 1 1 A 86 86 HIS CA C 120 54.000 55.416 -1.416 1
1 970 . 9 1 1 A 86 86 HIS CB C 120 30.000 32.633 -2.633 1
1 972 . 9 1 1 A 86 86 HIS N N 120 122.124 117.382 4.742 1
1 973 . 9 1 1 A 87 87 GLU H H 121 8.491 9.178 -0.687 1
1 974 . 9 1 1 A 87 87 GLU HA H 121 4.300 5.128 -0.828 1
1 979 . 9 1 1 A 87 87 GLU CA C 121 54.040 54.789 -0.749 1
1 980 . 9 1 1 A 87 87 GLU CB C 121 29.240 32.856 -3.616 1
1 982 . 9 1 1 A 87 87 GLU N N 121 121.826 122.255 -0.429 1
1 983 . 9 1 1 A 88 88 LEU H H 122 8.672 8.677 -0.005 1
1 984 . 9 1 1 A 88 88 LEU HA H 122 4.410 4.965 -0.555 1
1 994 . 9 1 1 A 88 88 LEU CA C 122 51.130 50.921 0.209 1
1 995 . 9 1 1 A 88 88 LEU CB C 122 40.200 44.163 -3.963 1
1 999 . 9 1 1 A 88 88 LEU N N 122 125.316 122.368 2.948 1
1 1000 . 9 1 1 A 89 89 PRO HA H 123 4.560 4.433 0.127 1
1 1007 . 9 1 1 A 89 89 PRO CA C 123 61.340 63.827 -2.487 1
1 1008 . 9 1 1 A 89 89 PRO CB C 123 30.700 32.072 -1.372 1
1 1011 . 9 1 1 A 90 90 ALA H H 124 8.464 8.005 0.459 1
1 1012 . 9 1 1 A 90 90 ALA HA H 124 4.063 3.938 0.125 1
1 1016 . 9 1 1 A 90 90 ALA CA C 124 53.320 53.595 -0.275 1
1 1017 . 9 1 1 A 90 90 ALA CB C 124 18.300 17.895 0.405 1
1 1018 . 9 1 1 A 90 90 ALA N N 124 123.603 120.152 3.451 1
1 1019 . 9 1 1 A 91 91 ASP H H 125 7.482 7.824 -0.342 1
1 1020 . 9 1 1 A 91 91 ASP HA H 125 4.640 5.094 -0.454 1
1 1023 . 9 1 1 A 91 91 ASP CA C 125 50.430 53.320 -2.890 1
1 1024 . 9 1 1 A 91 91 ASP CB C 125 43.100 43.082 0.018 1
1 1025 . 9 1 1 A 91 91 ASP N N 125 115.317 117.197 -1.880 1
1 1026 . 9 1 1 A 92 92 LEU H H 126 8.883 9.086 -0.203 1
1 1027 . 9 1 1 A 92 92 LEU HA H 126 4.189 4.908 -0.719 1
1 1037 . 9 1 1 A 92 92 LEU CA C 126 52.500 51.589 0.911 1
1 1038 . 9 1 1 A 92 92 LEU CB C 126 41.600 42.882 -1.282 1
1 1042 . 9 1 1 A 92 92 LEU N N 126 125.329 126.120 -0.791 1
1 1043 . 9 1 1 A 93 93 PRO HA H 127 4.860 4.573 0.287 1
1 1050 . 9 1 1 A 93 93 PRO CA C 127 59.800 61.548 -1.748 1
1 1051 . 9 1 1 A 93 93 PRO CB C 127 29.970 32.014 -2.044 1
1 1054 . 9 1 1 A 94 94 PRO HA H 128 4.210 4.113 0.097 1
1 1061 . 9 1 1 A 94 94 PRO CA C 128 65.000 65.177 -0.177 1
1 1062 . 9 1 1 A 94 94 PRO CB C 128 31.430 31.682 -0.252 1
1 1065 . 9 1 1 A 95 95 HIS H H 129 7.922 7.873 0.049 1
1 1066 . 9 1 1 A 95 95 HIS HA H 129 4.640 4.555 0.085 1
1 1071 . 9 1 1 A 95 95 HIS CA C 129 56.900 56.329 0.571 1
1 1072 . 9 1 1 A 95 95 HIS CB C 129 28.550 29.732 -1.182 1
1 1075 . 9 1 1 A 95 95 HIS N N 129 112.757 114.847 -2.090 1
1 1076 . 9 1 1 A 96 96 LEU H H 130 7.717 8.018 -0.301 1
1 1077 . 9 1 1 A 96 96 LEU HA H 130 4.640 4.610 0.030 1
1 1087 . 9 1 1 A 96 96 LEU CA C 130 53.300 54.565 -1.265 1
1 1088 . 9 1 1 A 96 96 LEU CB C 130 42.370 43.128 -0.758 1
1 1092 . 9 1 1 A 96 96 LEU N N 130 121.128 119.316 1.812 1
1 1093 . 9 1 1 A 97 97 VAL H H 131 7.184 7.355 -0.171 1
1 1094 . 9 1 1 A 97 97 VAL HA H 131 3.730 4.425 -0.695 1
1 1102 . 9 1 1 A 97 97 VAL CA C 131 60.640 59.547 1.093 1
1 1103 . 9 1 1 A 97 97 VAL CB C 131 31.420 32.442 -1.022 1
1 1106 . 9 1 1 A 97 97 VAL N N 131 125.572 115.820 9.752 1
1 1107 . 9 1 1 A 98 98 PRO HA H 132 2.680 2.899 -0.219 1
1 1114 . 9 1 1 A 98 98 PRO CA C 132 59.880 61.023 -1.143 1
1 1115 . 9 1 1 A 98 98 PRO CB C 132 30.700 31.705 -1.005 1
1 1118 . 9 1 1 A 99 99 PRO HA H 133 3.600 4.022 -0.422 1
1 1125 . 9 1 1 A 99 99 PRO CA C 133 64.990 65.290 -0.300 1
1 1126 . 9 1 1 A 99 99 PRO CB C 133 31.400 31.931 -0.531 1
1 1129 . 9 1 1 A 100 100 SER H H 134 9.200 7.933 1.267 1
1 1130 . 9 1 1 A 100 100 SER HA H 134 4.150 4.230 -0.080 1
1 1133 . 9 1 1 A 100 100 SER CA C 134 59.880 60.340 -0.460 1
1 1134 . 9 1 1 A 100 100 SER CB C 134 61.340 62.775 -1.435 1
1 1135 . 9 1 1 A 100 100 SER N N 134 115.005 111.025 3.980 1
1 1136 . 9 1 1 A 101 101 LYS H H 135 7.867 7.557 0.310 1
1 1137 . 9 1 1 A 101 101 LYS HA H 135 4.447 4.508 -0.061 1
1 1146 . 9 1 1 A 101 101 LYS CA C 135 52.600 54.991 -2.391 1
1 1147 . 9 1 1 A 101 101 LYS CB C 135 30.700 32.266 -1.566 1
1 1151 . 9 1 1 A 101 101 LYS N N 135 121.053 118.558 2.495 1
1 1152 . 9 1 1 A 102 102 ARG H H 136 7.077 7.632 -0.555 1
1 1153 . 9 1 1 A 102 102 ARG HA H 136 4.100 4.976 -0.876 1
1 1164 . 9 1 1 A 102 102 ARG CA C 136 55.500 55.000 0.500 1
1 1165 . 9 1 1 A 102 102 ARG CB C 136 30.000 32.865 -2.865 1
1 1168 . 9 1 1 A 102 102 ARG N N 136 121.939 116.788 5.151 1
1 1169 . 9 1 1 A 103 103 ARG H H 137 8.289 8.842 -0.553 1
1 1170 . 9 1 1 A 103 103 ARG HA H 137 4.290 5.173 -0.883 1
1 1181 . 9 1 1 A 103 103 ARG CA C 137 54.770 54.805 -0.035 1
1 1182 . 9 1 1 A 103 103 ARG CB C 137 30.000 32.912 -2.912 1
1 1185 . 9 1 1 A 103 103 ARG N N 137 123.504 121.766 1.738 1
1 1186 . 9 1 1 A 104 104 HIS H H 138 8.370 8.857 -0.487 1
1 1187 . 9 1 1 A 104 104 HIS HA H 138 4.660 5.188 -0.528 1
1 1192 . 9 1 1 A 104 104 HIS CA C 138 54.040 54.379 -0.339 1
1 1193 . 9 1 1 A 104 104 HIS CB C 138 29.240 32.756 -3.516 1
1 1 . 10 1 1 A 7 7 ASP H H 41 8.479 8.956 -0.477 1
1 2 . 10 1 1 A 7 7 ASP HA H 41 4.595 5.464 -0.869 1
1 5 . 10 1 1 A 7 7 ASP CA C 41 52.900 52.923 -0.023 1
1 6 . 10 1 1 A 7 7 ASP CB C 41 39.760 44.869 -5.109 1
1 7 . 10 1 1 A 7 7 ASP N N 41 124.447 124.937 -0.490 1
1 8 . 10 1 1 A 8 8 VAL H H 42 7.916 8.807 -0.891 1
1 9 . 10 1 1 A 8 8 VAL HA H 42 4.140 4.821 -0.681 1
1 17 . 10 1 1 A 8 8 VAL CA C 42 60.610 58.916 1.694 1
1 18 . 10 1 1 A 8 8 VAL CB C 42 32.160 35.105 -2.945 1
1 21 . 10 1 1 A 8 8 VAL N N 42 120.853 117.230 3.623 1
1 22 . 10 1 1 A 9 9 GLU H H 43 8.476 8.633 -0.157 1
1 23 . 10 1 1 A 9 9 GLU HA H 43 4.290 4.434 -0.144 1
1 28 . 10 1 1 A 9 9 GLU CA C 43 55.500 56.966 -1.466 1
1 29 . 10 1 1 A 9 9 GLU CB C 43 29.400 30.082 -0.682 1
1 31 . 10 1 1 A 9 9 GLU N N 43 127.650 122.621 5.029 1
1 32 . 10 1 1 A 10 10 TRP H H 44 8.839 8.650 0.189 1
1 33 . 10 1 1 A 10 10 TRP HA H 44 5.220 4.868 0.352 1
1 42 . 10 1 1 A 10 10 TRP CA C 44 54.040 55.967 -1.927 1
1 43 . 10 1 1 A 10 10 TRP CB C 44 27.800 29.816 -2.016 1
1 49 . 10 1 1 A 10 10 TRP N N 44 126.378 125.613 0.765 1
1 50 . 10 1 1 A 11 11 VAL H H 45 9.230 8.373 0.857 1
1 51 . 10 1 1 A 11 11 VAL HA H 45 3.891 3.826 0.065 1
1 59 . 10 1 1 A 11 11 VAL CA C 45 63.530 64.616 -1.086 1
1 60 . 10 1 1 A 11 11 VAL CB C 45 30.700 31.689 -0.989 1
1 63 . 10 1 1 A 11 11 VAL N N 45 131.353 127.273 4.080 1
1 64 . 10 1 1 A 12 12 VAL H H 46 5.000 6.918 -1.918 1
1 65 . 10 1 1 A 12 12 VAL HA H 46 3.033 3.258 -0.225 1
1 73 . 10 1 1 A 12 12 VAL CA C 46 60.650 64.576 -3.926 1
1 74 . 10 1 1 A 12 12 VAL CB C 46 29.280 30.964 -1.684 1
1 77 . 10 1 1 A 13 13 GLY H H 47 7.330 7.974 -0.644 1
1 78 . 10 1 1 A 13 13 GLY HA2 H 47 3.580 3.770 -0.190 1
1 79 . 10 1 1 A 13 13 GLY HA3 H 47 4.180 3.918 0.262 1
1 80 . 10 1 1 A 13 13 GLY CA C 47 46.760 46.501 0.259 1
1 81 . 10 1 1 A 14 14 LYS H H 48 7.570 7.741 -0.171 1
1 82 . 10 1 1 A 14 14 LYS HA H 48 4.065 4.095 -0.030 1
1 91 . 10 1 1 A 14 14 LYS CA C 48 57.700 58.588 -0.888 1
1 92 . 10 1 1 A 14 14 LYS CB C 48 30.700 32.770 -2.070 1
1 96 . 10 1 1 A 14 14 LYS N N 48 121.084 117.166 3.918 1
1 97 . 10 1 1 A 15 15 ASP H H 49 7.309 7.446 -0.137 1
1 98 . 10 1 1 A 15 15 ASP HA H 49 4.778 4.746 0.032 1
1 101 . 10 1 1 A 15 15 ASP CA C 49 52.880 53.521 -0.641 1
1 102 . 10 1 1 A 15 15 ASP CB C 49 42.300 41.524 0.776 1
1 103 . 10 1 1 A 15 15 ASP N N 49 118.181 118.920 -0.739 1
1 104 . 10 1 1 A 16 16 LYS H H 50 7.506 7.829 -0.323 1
1 105 . 10 1 1 A 16 16 LYS HA H 50 4.061 4.083 -0.022 1
1 114 . 10 1 1 A 16 16 LYS CA C 50 60.610 61.114 -0.504 1
1 115 . 10 1 1 A 16 16 LYS CB C 50 30.700 31.256 -0.556 1
1 119 . 10 1 1 A 16 16 LYS N N 50 123.633 120.064 3.569 1
1 120 . 10 1 1 A 17 17 PRO HA H 51 4.430 4.237 0.193 1
1 127 . 10 1 1 A 17 17 PRO CA C 51 65.720 66.133 -0.413 1
1 128 . 10 1 1 A 17 17 PRO CB C 51 29.970 30.791 -0.821 1
1 131 . 10 1 1 A 18 18 THR H H 52 7.280 7.759 -0.479 1
1 132 . 10 1 1 A 18 18 THR HA H 52 3.970 4.016 -0.046 1
1 137 . 10 1 1 A 18 18 THR CA C 52 64.990 65.056 -0.066 1
1 138 . 10 1 1 A 18 18 THR CB C 52 67.170 68.113 -0.943 1
1 140 . 10 1 1 A 18 18 THR N N 52 115.095 110.721 4.374 1
1 141 . 10 1 1 A 19 19 TYR H H 53 7.083 7.566 -0.483 1
1 142 . 10 1 1 A 19 19 TYR HA H 53 4.716 4.504 0.212 1
1 149 . 10 1 1 A 19 19 TYR CA C 53 57.400 62.094 -4.694 1
1 150 . 10 1 1 A 19 19 TYR CB C 53 35.800 37.577 -1.777 1
1 155 . 10 1 1 A 19 19 TYR N N 53 125.380 119.379 6.001 1
1 156 . 10 1 1 A 20 20 ASP H H 54 9.596 8.733 0.863 1
1 157 . 10 1 1 A 20 20 ASP HA H 54 4.492 4.629 -0.137 1
1 160 . 10 1 1 A 20 20 ASP CA C 54 56.200 57.569 -1.369 1
1 161 . 10 1 1 A 20 20 ASP CB C 54 38.730 40.406 -1.676 1
1 162 . 10 1 1 A 20 20 ASP N N 54 124.548 121.196 3.352 1
1 163 . 10 1 1 A 21 21 GLU H H 55 7.309 8.117 -0.808 1
1 164 . 10 1 1 A 21 21 GLU HA H 55 4.140 4.088 0.052 1
1 169 . 10 1 1 A 21 21 GLU CA C 55 58.420 59.299 -0.879 1
1 170 . 10 1 1 A 21 21 GLU CB C 55 29.250 29.531 -0.281 1
1 172 . 10 1 1 A 21 21 GLU N N 55 118.181 119.781 -1.600 1
1 173 . 10 1 1 A 22 22 ILE H H 56 7.249 7.817 -0.568 1
1 174 . 10 1 1 A 22 22 ILE HA H 56 3.940 4.012 -0.072 1
1 184 . 10 1 1 A 22 22 ILE CA C 56 62.870 64.551 -1.681 1
1 185 . 10 1 1 A 22 22 ILE CB C 56 38.000 37.309 0.691 1
1 189 . 10 1 1 A 22 22 ILE N N 56 118.978 120.752 -1.774 1
1 190 . 10 1 1 A 23 23 PHE H H 57 9.117 8.790 0.327 1
1 191 . 10 1 1 A 23 23 PHE HA H 57 3.090 3.737 -0.647 1
1 199 . 10 1 1 A 23 23 PHE CA C 57 61.300 61.358 -0.058 1
1 200 . 10 1 1 A 23 23 PHE CB C 57 38.730 39.505 -0.775 1
1 206 . 10 1 1 A 23 23 PHE N N 57 127.639 123.014 4.625 1
1 207 . 10 1 1 A 24 24 TYR H H 58 7.922 7.907 0.015 1
1 208 . 10 1 1 A 24 24 TYR HA H 58 3.990 4.361 -0.371 1
1 215 . 10 1 1 A 24 24 TYR CA C 58 60.610 59.312 1.298 1
1 216 . 10 1 1 A 24 24 TYR CB C 58 36.540 37.928 -1.388 1
1 221 . 10 1 1 A 24 24 TYR N N 58 112.757 113.127 -0.370 1
1 222 . 10 1 1 A 25 25 THR H H 59 8.081 7.852 0.229 1
1 223 . 10 1 1 A 25 25 THR HA H 59 4.640 4.464 0.176 1
1 229 . 10 1 1 A 25 25 THR CA C 59 62.070 63.253 -1.183 1
1 230 . 10 1 1 A 25 25 THR CB C 59 68.630 69.640 -1.010 1
1 232 . 10 1 1 A 25 25 THR N N 59 112.676 110.179 2.497 1
1 233 . 10 1 1 A 26 26 LEU H H 60 7.373 7.494 -0.121 1
1 234 . 10 1 1 A 26 26 LEU HA H 60 4.460 4.296 0.164 1
1 244 . 10 1 1 A 26 26 LEU CA C 60 52.600 54.226 -1.626 1
1 245 . 10 1 1 A 26 26 LEU CB C 60 39.400 41.694 -2.294 1
1 249 . 10 1 1 A 26 26 LEU N N 60 125.808 120.050 5.758 1
1 250 . 10 1 1 A 27 27 SER H H 61 7.860 7.861 -0.001 1
1 251 . 10 1 1 A 27 27 SER HA H 61 3.980 4.095 -0.115 1
1 254 . 10 1 1 A 27 27 SER CA C 61 56.960 58.417 -1.457 1
1 255 . 10 1 1 A 27 27 SER CB C 61 60.640 61.810 -1.170 1
1 256 . 10 1 1 A 27 27 SER N N 61 111.582 112.809 -1.227 1
1 257 . 10 1 1 A 28 28 PRO HA H 62 4.190 4.380 -0.190 1
1 264 . 10 1 1 A 28 28 PRO CA C 62 62.070 61.846 0.224 1
1 265 . 10 1 1 A 28 28 PRO CB C 62 29.970 31.844 -1.874 1
1 268 . 10 1 1 A 29 29 VAL H H 63 8.744 8.652 0.092 1
1 269 . 10 1 1 A 29 29 VAL HA H 63 4.180 4.542 -0.362 1
1 277 . 10 1 1 A 29 29 VAL CA C 63 60.640 60.039 0.601 1
1 278 . 10 1 1 A 29 29 VAL CB C 63 33.620 33.806 -0.186 1
1 281 . 10 1 1 A 29 29 VAL N N 63 124.299 117.790 6.509 1
1 282 . 10 1 1 A 30 30 ASN H H 64 9.713 9.485 0.228 1
1 283 . 10 1 1 A 30 30 ASN HA H 64 4.410 4.466 -0.056 1
1 288 . 10 1 1 A 30 30 ASN CA C 64 53.320 54.501 -1.181 1
1 289 . 10 1 1 A 30 30 ASN CB C 64 36.540 37.003 -0.463 1
1 290 . 10 1 1 A 30 30 ASN N N 64 129.729 121.527 8.202 1
1 292 . 10 1 1 A 31 31 GLY H H 65 8.862 8.710 0.152 1
1 293 . 10 1 1 A 31 31 GLY HA2 H 65 3.770 4.006 -0.236 1
1 294 . 10 1 1 A 31 31 GLY HA3 H 65 4.250 4.106 0.144 1
1 295 . 10 1 1 A 31 31 GLY CA C 65 44.560 45.819 -1.259 1
1 296 . 10 1 1 A 31 31 GLY N N 65 130.641 104.917 25.724 1
1 297 . 10 1 1 A 32 32 LYS H H 66 7.501 7.824 -0.323 1
1 298 . 10 1 1 A 32 32 LYS HA H 66 5.400 5.549 -0.149 1
1 307 . 10 1 1 A 32 32 LYS CA C 66 54.040 54.396 -0.356 1
1 308 . 10 1 1 A 32 32 LYS CB C 66 36.540 35.887 0.653 1
1 312 . 10 1 1 A 32 32 LYS N N 66 118.738 119.732 -0.994 1
1 313 . 10 1 1 A 33 33 ILE H H 67 9.230 9.452 -0.222 1
1 314 . 10 1 1 A 33 33 ILE HA H 67 5.010 4.933 0.077 1
1 324 . 10 1 1 A 33 33 ILE CA C 67 57.690 59.141 -1.451 1
1 325 . 10 1 1 A 33 33 ILE CB C 67 40.190 41.124 -0.934 1
1 329 . 10 1 1 A 33 33 ILE N N 67 118.166 118.434 -0.268 1
1 330 . 10 1 1 A 34 34 THR H H 68 8.262 8.591 -0.329 1
1 331 . 10 1 1 A 34 34 THR HA H 68 4.530 4.712 -0.182 1
1 337 . 10 1 1 A 34 34 THR CA C 68 59.100 60.371 -1.271 1
1 338 . 10 1 1 A 34 34 THR CB C 68 70.000 71.011 -1.011 1
1 340 . 10 1 1 A 34 34 THR N N 68 111.971 114.041 -2.070 1
1 341 . 10 1 1 A 35 35 GLY H H 69 9.000 8.916 0.084 1
1 342 . 10 1 1 A 35 35 GLY HA2 H 69 3.540 3.654 -0.114 1
1 343 . 10 1 1 A 35 35 GLY HA3 H 69 3.830 3.959 -0.129 1
1 344 . 10 1 1 A 35 35 GLY CA C 69 47.480 46.816 0.664 1
1 345 . 10 1 1 A 35 35 GLY N N 69 110.304 109.476 0.828 1
1 346 . 10 1 1 A 36 36 ALA H H 70 8.336 7.986 0.350 1
1 347 . 10 1 1 A 36 36 ALA HA H 70 3.880 3.947 -0.067 1
1 351 . 10 1 1 A 36 36 ALA CA C 70 54.040 54.587 -0.547 1
1 352 . 10 1 1 A 36 36 ALA CB C 70 17.570 18.740 -1.170 1
1 353 . 10 1 1 A 36 36 ALA N N 70 123.822 124.398 -0.576 1
1 354 . 10 1 1 A 37 37 ASN H H 71 7.560 7.388 0.172 1
1 355 . 10 1 1 A 37 37 ASN HA H 71 4.680 4.579 0.101 1
1 360 . 10 1 1 A 37 37 ASN CA C 71 54.040 55.855 -1.815 1
1 361 . 10 1 1 A 37 37 ASN CB C 71 36.500 38.316 -1.816 1
1 362 . 10 1 1 A 37 37 ASN N N 71 118.643 117.060 1.583 1
1 364 . 10 1 1 A 38 38 ALA H H 72 8.810 7.933 0.877 1
1 365 . 10 1 1 A 38 38 ALA HA H 72 4.100 4.311 -0.211 1
1 369 . 10 1 1 A 38 38 ALA CA C 72 54.770 55.266 -0.496 1
1 370 . 10 1 1 A 38 38 ALA CB C 72 18.240 18.867 -0.627 1
1 371 . 10 1 1 A 38 38 ALA N N 72 123.731 122.707 1.024 1
1 372 . 10 1 1 A 39 39 LYS H H 73 8.837 8.228 0.609 1
1 373 . 10 1 1 A 39 39 LYS HA H 73 3.940 3.915 0.025 1
1 382 . 10 1 1 A 39 39 LYS CA C 73 59.130 59.670 -0.540 1
1 383 . 10 1 1 A 39 39 LYS CB C 73 31.430 32.232 -0.802 1
1 387 . 10 1 1 A 39 39 LYS N N 73 120.046 118.498 1.548 1
1 388 . 10 1 1 A 40 40 LYS H H 74 7.319 7.844 -0.525 1
1 389 . 10 1 1 A 40 40 LYS HA H 74 3.990 3.973 0.017 1
1 398 . 10 1 1 A 40 40 LYS CA C 74 58.470 60.086 -1.616 1
1 399 . 10 1 1 A 40 40 LYS CB C 74 31.430 32.338 -0.908 1
1 403 . 10 1 1 A 40 40 LYS N N 74 118.778 118.264 0.514 1
1 404 . 10 1 1 A 41 41 GLU H H 75 7.111 8.045 -0.934 1
1 405 . 10 1 1 A 41 41 GLU HA H 75 4.420 4.101 0.319 1
1 410 . 10 1 1 A 41 41 GLU CA C 75 56.200 59.639 -3.439 1
1 411 . 10 1 1 A 41 41 GLU CB C 75 29.240 28.891 0.349 1
1 413 . 10 1 1 A 41 41 GLU N N 75 117.703 119.797 -2.094 1
1 414 . 10 1 1 A 42 42 MET H H 76 8.603 8.249 0.354 1
1 415 . 10 1 1 A 42 42 MET HA H 76 4.010 4.167 -0.157 1
1 423 . 10 1 1 A 42 42 MET CA C 76 59.100 58.510 0.590 1
1 424 . 10 1 1 A 42 42 MET CB C 76 33.620 32.738 0.882 1
1 427 . 10 1 1 A 42 42 MET N N 76 121.344 118.989 2.355 1
1 428 . 10 1 1 A 43 43 VAL H H 77 8.661 7.901 0.760 1
1 429 . 10 1 1 A 43 43 VAL HA H 77 4.063 3.902 0.161 1
1 437 . 10 1 1 A 43 43 VAL CA C 77 63.530 65.528 -1.998 1
1 438 . 10 1 1 A 43 43 VAL CB C 77 30.700 31.316 -0.616 1
1 441 . 10 1 1 A 43 43 VAL N N 77 117.339 115.762 1.577 1
1 442 . 10 1 1 A 44 44 LYS H H 78 7.464 7.743 -0.279 1
1 443 . 10 1 1 A 44 44 LYS HA H 78 4.110 4.207 -0.097 1
1 452 . 10 1 1 A 44 44 LYS CA C 78 58.400 58.981 -0.581 1
1 453 . 10 1 1 A 44 44 LYS CB C 78 31.430 32.114 -0.684 1
1 457 . 10 1 1 A 44 44 LYS N N 78 124.308 121.588 2.720 1
1 458 . 10 1 1 A 45 45 SER H H 79 7.534 7.593 -0.059 1
1 459 . 10 1 1 A 45 45 SER HA H 79 4.071 4.534 -0.463 1
1 462 . 10 1 1 A 45 45 SER CA C 79 59.880 58.340 1.540 1
1 463 . 10 1 1 A 45 45 SER CB C 79 65.000 63.363 1.637 1
1 464 . 10 1 1 A 45 45 SER N N 79 114.575 112.095 2.480 1
1 465 . 10 1 1 A 46 46 LYS H H 80 7.822 7.942 -0.120 1
1 466 . 10 1 1 A 46 46 LYS HA H 80 3.930 3.924 0.006 1
1 475 . 10 1 1 A 46 46 LYS CA C 80 57.000 57.659 -0.659 1
1 476 . 10 1 1 A 46 46 LYS CB C 80 28.510 29.114 -0.604 1
1 480 . 10 1 1 A 46 46 LYS N N 80 114.855 117.260 -2.405 1
1 481 . 10 1 1 A 47 47 LEU H H 81 7.505 7.888 -0.383 1
1 482 . 10 1 1 A 47 47 LEU HA H 81 4.470 4.574 -0.104 1
1 492 . 10 1 1 A 47 47 LEU CA C 81 52.600 52.176 0.424 1
1 493 . 10 1 1 A 47 47 LEU CB C 81 40.920 41.902 -0.982 1
1 497 . 10 1 1 A 47 47 LEU N N 81 122.848 120.208 2.640 1
1 498 . 10 1 1 A 48 48 PRO HA H 82 4.510 4.588 -0.078 1
1 505 . 10 1 1 A 48 48 PRO CA C 82 61.340 62.591 -1.251 1
1 506 . 10 1 1 A 48 48 PRO CB C 82 32.100 32.625 -0.525 1
1 509 . 10 1 1 A 49 49 ASN H H 83 7.580 8.715 -1.135 1
1 510 . 10 1 1 A 49 49 ASN HA H 83 4.240 4.391 -0.151 1
1 515 . 10 1 1 A 49 49 ASN CA C 83 56.200 56.292 -0.092 1
1 516 . 10 1 1 A 49 49 ASN CB C 83 37.270 38.212 -0.942 1
1 518 . 10 1 1 A 50 50 THR H H 84 7.010 8.148 -1.138 1
1 519 . 10 1 1 A 50 50 THR HA H 84 4.030 4.029 0.001 1
1 524 . 10 1 1 A 50 50 THR CA C 84 63.500 65.758 -2.258 1
1 525 . 10 1 1 A 50 50 THR CB C 84 67.170 67.951 -0.781 1
1 527 . 10 1 1 A 51 51 VAL H H 85 6.887 8.171 -1.284 1
1 528 . 10 1 1 A 51 51 VAL HA H 85 3.650 3.802 -0.152 1
1 536 . 10 1 1 A 51 51 VAL CA C 85 64.200 67.137 -2.937 1
1 537 . 10 1 1 A 51 51 VAL CB C 85 30.700 31.642 -0.942 1
1 540 . 10 1 1 A 51 51 VAL N N 85 125.031 123.032 1.999 1
1 541 . 10 1 1 A 52 52 LEU H H 86 8.043 8.370 -0.327 1
1 542 . 10 1 1 A 52 52 LEU HA H 86 3.730 4.057 -0.327 1
1 552 . 10 1 1 A 52 52 LEU CA C 86 56.960 58.230 -1.270 1
1 553 . 10 1 1 A 52 52 LEU CB C 86 39.430 41.729 -2.299 1
1 557 . 10 1 1 A 52 52 LEU N N 86 121.307 120.207 1.100 1
1 558 . 10 1 1 A 53 53 GLY H H 87 8.420 8.441 -0.021 1
1 559 . 10 1 1 A 53 53 GLY HA2 H 87 3.890 3.682 0.208 1
1 560 . 10 1 1 A 53 53 GLY HA3 H 87 3.980 3.721 0.259 1
1 561 . 10 1 1 A 53 53 GLY CA C 87 46.020 47.357 -1.337 1
1 562 . 10 1 1 A 53 53 GLY N N 87 108.274 106.631 1.643 1
1 563 . 10 1 1 A 54 54 LYS H H 88 7.327 7.955 -0.628 1
1 564 . 10 1 1 A 54 54 LYS HA H 88 4.130 4.015 0.115 1
1 573 . 10 1 1 A 54 54 LYS CA C 88 58.420 59.460 -1.040 1
1 574 . 10 1 1 A 54 54 LYS CB C 88 31.430 32.389 -0.959 1
1 578 . 10 1 1 A 54 54 LYS N N 88 125.389 122.005 3.384 1
1 579 . 10 1 1 A 55 55 ILE H H 89 8.075 8.127 -0.052 1
1 580 . 10 1 1 A 55 55 ILE HA H 89 3.470 3.716 -0.246 1
1 590 . 10 1 1 A 55 55 ILE CA C 89 65.720 65.115 0.605 1
1 591 . 10 1 1 A 55 55 ILE CB C 89 36.540 37.627 -1.087 1
1 595 . 10 1 1 A 55 55 ILE N N 89 122.261 119.536 2.725 1
1 596 . 10 1 1 A 56 56 TRP H H 90 8.706 8.487 0.219 1
1 597 . 10 1 1 A 56 56 TRP HA H 90 3.810 4.219 -0.409 1
1 606 . 10 1 1 A 56 56 TRP CA C 90 60.610 60.146 0.464 1
1 607 . 10 1 1 A 56 56 TRP CB C 90 27.790 30.008 -2.218 1
1 613 . 10 1 1 A 56 56 TRP N N 90 121.947 122.411 -0.464 1
1 615 . 10 1 1 A 57 57 LYS H H 91 7.581 8.119 -0.538 1
1 616 . 10 1 1 A 57 57 LYS HA H 91 3.960 4.079 -0.119 1
1 625 . 10 1 1 A 57 57 LYS CA C 91 58.420 58.825 -0.405 1
1 626 . 10 1 1 A 57 57 LYS CB C 91 31.430 32.111 -0.681 1
1 630 . 10 1 1 A 57 57 LYS N N 91 116.801 119.679 -2.878 1
1 631 . 10 1 1 A 58 58 LEU H H 92 7.571 7.537 0.034 1
1 632 . 10 1 1 A 58 58 LEU HA H 92 3.990 4.114 -0.124 1
1 642 . 10 1 1 A 58 58 LEU CA C 92 56.200 57.579 -1.379 1
1 643 . 10 1 1 A 58 58 LEU CB C 92 43.100 42.093 1.007 1
1 647 . 10 1 1 A 58 58 LEU N N 92 119.520 119.700 -0.180 1
1 648 . 10 1 1 A 59 59 ALA H H 93 8.135 8.317 -0.182 1
1 649 . 10 1 1 A 59 59 ALA HA H 93 4.120 4.157 -0.037 1
1 653 . 10 1 1 A 59 59 ALA CA C 93 52.590 55.023 -2.433 1
1 654 . 10 1 1 A 59 59 ALA CB C 93 18.300 18.424 -0.124 1
1 655 . 10 1 1 A 59 59 ALA N N 93 120.126 121.287 -1.161 1
1 656 . 10 1 1 A 60 60 ASP H H 94 7.530 7.378 0.152 1
1 657 . 10 1 1 A 60 60 ASP HA H 94 4.540 4.596 -0.056 1
1 660 . 10 1 1 A 60 60 ASP CA C 94 51.100 53.801 -2.701 1
1 661 . 10 1 1 A 60 60 ASP CB C 94 35.840 40.453 -4.613 1
1 662 . 10 1 1 A 60 60 ASP N N 94 115.380 117.276 -1.896 1
1 663 . 10 1 1 A 61 61 VAL H H 95 8.340 8.502 -0.162 1
1 664 . 10 1 1 A 61 61 VAL HA H 95 3.500 3.819 -0.319 1
1 672 . 10 1 1 A 61 61 VAL CA C 95 65.000 65.635 -0.635 1
1 673 . 10 1 1 A 61 61 VAL CB C 95 31.430 31.806 -0.376 1
1 676 . 10 1 1 A 61 61 VAL N N 95 129.560 124.786 4.774 1
1 677 . 10 1 1 A 62 62 ASP H H 96 7.927 7.458 0.469 1
1 678 . 10 1 1 A 62 62 ASP HA H 96 4.530 4.516 0.014 1
1 681 . 10 1 1 A 62 62 ASP CA C 96 51.800 53.320 -1.520 1
1 682 . 10 1 1 A 62 62 ASP CB C 96 38.700 40.173 -1.473 1
1 683 . 10 1 1 A 62 62 ASP N N 96 115.789 117.115 -1.326 1
1 684 . 10 1 1 A 63 63 LYS H H 97 7.551 7.780 -0.229 1
1 685 . 10 1 1 A 63 63 LYS HA H 97 3.860 4.438 -0.578 1
1 694 . 10 1 1 A 63 63 LYS CA C 97 56.960 57.180 -0.220 1
1 695 . 10 1 1 A 63 63 LYS CB C 97 28.520 29.176 -0.656 1
1 699 . 10 1 1 A 63 63 LYS N N 97 115.740 114.948 0.792 1
1 700 . 10 1 1 A 64 64 ASP H H 98 8.363 8.297 0.066 1
1 701 . 10 1 1 A 64 64 ASP HA H 98 4.660 4.655 0.005 1
1 704 . 10 1 1 A 64 64 ASP CA C 98 52.600 53.115 -0.515 1
1 705 . 10 1 1 A 64 64 ASP CB C 98 40.190 40.296 -0.106 1
1 706 . 10 1 1 A 64 64 ASP N N 98 120.463 118.247 2.216 1
1 707 . 10 1 1 A 65 65 GLY H H 99 10.641 8.228 2.413 1
1 708 . 10 1 1 A 65 65 GLY HA2 H 99 3.850 4.059 -0.209 1
1 709 . 10 1 1 A 65 65 GLY HA3 H 99 4.322 4.299 0.023 1
1 710 . 10 1 1 A 65 65 GLY CA C 99 44.800 46.223 -1.423 1
1 711 . 10 1 1 A 65 65 GLY N N 99 115.730 110.884 4.846 1
1 712 . 10 1 1 A 66 66 LEU H H 100 8.157 7.887 0.270 1
1 713 . 10 1 1 A 66 66 LEU HA H 100 5.120 5.157 -0.037 1
1 723 . 10 1 1 A 66 66 LEU CA C 100 52.600 52.981 -0.381 1
1 724 . 10 1 1 A 66 66 LEU CB C 100 44.600 45.738 -1.138 1
1 728 . 10 1 1 A 66 66 LEU N N 100 123.435 121.658 1.777 1
1 729 . 10 1 1 A 67 67 LEU H H 101 8.687 9.130 -0.443 1
1 730 . 10 1 1 A 67 67 LEU HA H 101 5.800 5.105 0.695 1
1 740 . 10 1 1 A 67 67 LEU CA C 101 51.860 53.551 -1.691 1
1 741 . 10 1 1 A 67 67 LEU CB C 101 42.370 43.700 -1.330 1
1 745 . 10 1 1 A 67 67 LEU N N 101 121.109 122.423 -1.314 1
1 746 . 10 1 1 A 68 68 ASP H H 102 9.229 8.875 0.354 1
1 747 . 10 1 1 A 68 68 ASP HA H 102 5.610 5.113 0.497 1
1 750 . 10 1 1 A 68 68 ASP CA C 102 51.130 54.124 -2.994 1
1 751 . 10 1 1 A 68 68 ASP CB C 102 40.190 41.973 -1.783 1
1 752 . 10 1 1 A 68 68 ASP N N 102 124.386 124.774 -0.388 1
1 753 . 10 1 1 A 69 69 ASP H H 103 8.529 8.672 -0.143 1
1 754 . 10 1 1 A 69 69 ASP HA H 103 2.830 3.296 -0.466 1
1 757 . 10 1 1 A 69 69 ASP CA C 103 56.230 56.272 -0.042 1
1 758 . 10 1 1 A 69 69 ASP CB C 103 37.238 39.587 -2.349 1
1 759 . 10 1 1 A 69 69 ASP N N 103 117.423 121.112 -3.689 1
1 760 . 10 1 1 A 70 70 GLU H H 104 7.991 7.974 0.017 1
1 761 . 10 1 1 A 70 70 GLU HA H 104 4.061 4.309 -0.248 1
1 766 . 10 1 1 A 70 70 GLU CA C 104 59.130 59.482 -0.352 1
1 767 . 10 1 1 A 70 70 GLU CB C 104 29.134 29.170 -0.036 1
1 769 . 10 1 1 A 70 70 GLU N N 104 124.895 120.319 4.576 1
1 770 . 10 1 1 A 71 71 GLU H H 105 8.742 8.244 0.498 1
1 771 . 10 1 1 A 71 71 GLU HA H 105 4.000 4.159 -0.159 1
1 776 . 10 1 1 A 71 71 GLU CA C 105 59.150 58.943 0.207 1
1 777 . 10 1 1 A 71 71 GLU CB C 105 30.700 29.586 1.114 1
1 779 . 10 1 1 A 71 71 GLU N N 105 123.465 119.639 3.826 1
1 780 . 10 1 1 A 72 72 PHE H H 106 9.426 8.835 0.591 1
1 781 . 10 1 1 A 72 72 PHE HA H 106 4.230 4.199 0.031 1
1 789 . 10 1 1 A 72 72 PHE CA C 106 59.900 61.666 -1.766 1
1 790 . 10 1 1 A 72 72 PHE CB C 106 38.730 39.160 -0.430 1
1 796 . 10 1 1 A 72 72 PHE N N 106 120.806 122.015 -1.209 1
1 797 . 10 1 1 A 73 73 ALA H H 107 8.085 8.196 -0.111 1
1 798 . 10 1 1 A 73 73 ALA HA H 107 3.770 4.006 -0.236 1
1 802 . 10 1 1 A 73 73 ALA CA C 107 54.040 55.263 -1.223 1
1 803 . 10 1 1 A 73 73 ALA CB C 107 16.870 18.146 -1.276 1
1 804 . 10 1 1 A 73 73 ALA N N 107 126.845 121.280 5.565 1
1 805 . 10 1 1 A 74 74 LEU H H 108 8.431 7.993 0.438 1
1 806 . 10 1 1 A 74 74 LEU HA H 108 4.050 4.032 0.018 1
1 816 . 10 1 1 A 74 74 LEU CA C 108 56.960 57.965 -1.005 1
1 817 . 10 1 1 A 74 74 LEU CB C 108 41.600 41.520 0.080 1
1 821 . 10 1 1 A 74 74 LEU N N 108 121.250 120.357 0.893 1
1 822 . 10 1 1 A 75 75 ALA H H 109 8.651 8.488 0.163 1
1 823 . 10 1 1 A 75 75 ALA HA H 109 3.657 3.957 -0.300 1
1 827 . 10 1 1 A 75 75 ALA CA C 109 54.770 55.680 -0.910 1
1 828 . 10 1 1 A 75 75 ALA CB C 109 16.110 18.041 -1.931 1
1 829 . 10 1 1 A 75 75 ALA N N 109 122.981 121.090 1.891 1
1 830 . 10 1 1 A 76 76 ASN H H 110 7.240 8.032 -0.792 1
1 831 . 10 1 1 A 76 76 ASN HA H 110 3.790 4.167 -0.377 1
1 836 . 10 1 1 A 76 76 ASN CA C 110 55.540 55.626 -0.086 1
1 837 . 10 1 1 A 76 76 ASN CB C 110 37.200 37.254 -0.054 1
1 838 . 10 1 1 A 76 76 ASN N N 110 115.681 116.243 -0.562 1
1 840 . 10 1 1 A 77 77 HIS H H 111 8.345 7.727 0.618 1
1 841 . 10 1 1 A 77 77 HIS HA H 111 4.094 4.406 -0.312 1
1 846 . 10 1 1 A 77 77 HIS CA C 111 59.150 59.760 -0.610 1
1 847 . 10 1 1 A 77 77 HIS CB C 111 30.700 30.416 0.284 1
1 850 . 10 1 1 A 77 77 HIS N N 111 124.686 120.832 3.854 1
1 851 . 10 1 1 A 78 78 LEU H H 112 8.290 8.533 -0.243 1
1 852 . 10 1 1 A 78 78 LEU HA H 112 3.810 3.720 0.090 1
1 862 . 10 1 1 A 78 78 LEU CA C 112 56.200 57.938 -1.738 1
1 863 . 10 1 1 A 78 78 LEU CB C 112 41.600 41.585 0.015 1
1 867 . 10 1 1 A 78 78 LEU N N 112 119.085 119.553 -0.468 1
1 868 . 10 1 1 A 79 79 ILE H H 113 7.792 8.012 -0.220 1
1 869 . 10 1 1 A 79 79 ILE HA H 113 3.290 3.430 -0.140 1
1 879 . 10 1 1 A 79 79 ILE CA C 113 65.000 65.701 -0.701 1
1 880 . 10 1 1 A 79 79 ILE CB C 113 37.200 37.994 -0.794 1
1 884 . 10 1 1 A 79 79 ILE N N 113 121.304 120.161 1.143 1
1 885 . 10 1 1 A 80 80 LYS H H 114 7.546 8.245 -0.699 1
1 886 . 10 1 1 A 80 80 LYS HA H 114 3.820 3.959 -0.139 1
1 895 . 10 1 1 A 80 80 LYS CA C 114 59.100 59.725 -0.625 1
1 896 . 10 1 1 A 80 80 LYS CB C 114 30.700 32.190 -1.490 1
1 900 . 10 1 1 A 80 80 LYS N N 114 122.150 121.126 1.024 1
1 901 . 10 1 1 A 81 81 VAL H H 115 8.110 8.206 -0.096 1
1 902 . 10 1 1 A 81 81 VAL HA H 115 3.740 3.526 0.214 1
1 910 . 10 1 1 A 81 81 VAL CA C 115 64.900 66.740 -1.840 1
1 911 . 10 1 1 A 81 81 VAL CB C 115 30.720 31.314 -0.594 1
1 914 . 10 1 1 A 81 81 VAL N N 115 118.999 119.009 -0.010 1
1 915 . 10 1 1 A 82 82 LYS H H 116 7.853 7.962 -0.109 1
1 916 . 10 1 1 A 82 82 LYS HA H 116 4.540 4.365 0.175 1
1 925 . 10 1 1 A 82 82 LYS CA C 116 56.230 59.636 -3.406 1
1 926 . 10 1 1 A 82 82 LYS CB C 116 30.700 32.300 -1.600 1
1 930 . 10 1 1 A 82 82 LYS N N 116 123.030 119.449 3.581 1
1 931 . 10 1 1 A 83 83 LEU H H 117 8.959 8.375 0.584 1
1 932 . 10 1 1 A 83 83 LEU HA H 117 4.080 4.028 0.052 1
1 942 . 10 1 1 A 83 83 LEU CA C 117 56.900 57.486 -0.586 1
1 943 . 10 1 1 A 83 83 LEU CB C 117 40.920 41.029 -0.109 1
1 947 . 10 1 1 A 83 83 LEU N N 117 125.378 119.909 5.469 1
1 948 . 10 1 1 A 84 84 GLU H H 118 7.817 8.049 -0.232 1
1 949 . 10 1 1 A 84 84 GLU HA H 118 4.150 4.377 -0.227 1
1 954 . 10 1 1 A 84 84 GLU CA C 118 56.200 56.683 -0.483 1
1 955 . 10 1 1 A 84 84 GLU CB C 118 29.200 30.312 -1.112 1
1 957 . 10 1 1 A 84 84 GLU N N 118 119.766 117.546 2.220 1
1 958 . 10 1 1 A 85 85 GLY H H 119 7.862 8.128 -0.266 1
1 959 . 10 1 1 A 85 85 GLY HA2 H 119 3.640 3.838 -0.198 1
1 960 . 10 1 1 A 85 85 GLY HA3 H 119 4.140 3.922 0.218 1
1 961 . 10 1 1 A 85 85 GLY CA C 119 43.800 45.335 -1.535 1
1 962 . 10 1 1 A 85 85 GLY N N 119 107.902 108.284 -0.382 1
1 963 . 10 1 1 A 86 86 HIS H H 120 7.714 7.861 -0.147 1
1 964 . 10 1 1 A 86 86 HIS HA H 120 4.680 5.035 -0.355 1
1 969 . 10 1 1 A 86 86 HIS CA C 120 54.000 54.618 -0.618 1
1 970 . 10 1 1 A 86 86 HIS CB C 120 30.000 33.663 -3.663 1
1 972 . 10 1 1 A 86 86 HIS N N 120 122.124 117.196 4.928 1
1 973 . 10 1 1 A 87 87 GLU H H 121 8.491 9.080 -0.589 1
1 974 . 10 1 1 A 87 87 GLU HA H 121 4.300 4.983 -0.683 1
1 979 . 10 1 1 A 87 87 GLU CA C 121 54.040 54.765 -0.725 1
1 980 . 10 1 1 A 87 87 GLU CB C 121 29.240 33.093 -3.853 1
1 982 . 10 1 1 A 87 87 GLU N N 121 121.826 119.556 2.270 1
1 983 . 10 1 1 A 88 88 LEU H H 122 8.672 8.849 -0.177 1
1 984 . 10 1 1 A 88 88 LEU HA H 122 4.410 4.957 -0.547 1
1 994 . 10 1 1 A 88 88 LEU CA C 122 51.130 52.096 -0.966 1
1 995 . 10 1 1 A 88 88 LEU CB C 122 40.200 42.507 -2.307 1
1 999 . 10 1 1 A 88 88 LEU N N 122 125.316 119.647 5.669 1
1 1000 . 10 1 1 A 89 89 PRO HA H 123 4.560 4.458 0.102 1
1 1007 . 10 1 1 A 89 89 PRO CA C 123 61.340 63.704 -2.364 1
1 1008 . 10 1 1 A 89 89 PRO CB C 123 30.700 32.032 -1.332 1
1 1011 . 10 1 1 A 90 90 ALA H H 124 8.464 8.013 0.451 1
1 1012 . 10 1 1 A 90 90 ALA HA H 124 4.063 4.001 0.062 1
1 1016 . 10 1 1 A 90 90 ALA CA C 124 53.320 53.673 -0.353 1
1 1017 . 10 1 1 A 90 90 ALA CB C 124 18.300 17.991 0.309 1
1 1018 . 10 1 1 A 90 90 ALA N N 124 123.603 120.242 3.361 1
1 1019 . 10 1 1 A 91 91 ASP H H 125 7.482 7.694 -0.212 1
1 1020 . 10 1 1 A 91 91 ASP HA H 125 4.640 5.199 -0.559 1
1 1023 . 10 1 1 A 91 91 ASP CA C 125 50.430 52.892 -2.462 1
1 1024 . 10 1 1 A 91 91 ASP CB C 125 43.100 44.210 -1.110 1
1 1025 . 10 1 1 A 91 91 ASP N N 125 115.317 116.952 -1.635 1
1 1026 . 10 1 1 A 92 92 LEU H H 126 8.883 8.755 0.128 1
1 1027 . 10 1 1 A 92 92 LEU HA H 126 4.189 4.969 -0.780 1
1 1037 . 10 1 1 A 92 92 LEU CA C 126 52.500 51.250 1.250 1
1 1038 . 10 1 1 A 92 92 LEU CB C 126 41.600 43.754 -2.154 1
1 1042 . 10 1 1 A 92 92 LEU N N 126 125.329 123.485 1.844 1
1 1043 . 10 1 1 A 93 93 PRO HA H 127 4.860 4.621 0.239 1
1 1050 . 10 1 1 A 93 93 PRO CA C 127 59.800 61.522 -1.722 1
1 1051 . 10 1 1 A 93 93 PRO CB C 127 29.970 31.927 -1.957 1
1 1054 . 10 1 1 A 94 94 PRO HA H 128 4.210 4.102 0.108 1
1 1061 . 10 1 1 A 94 94 PRO CA C 128 65.000 65.191 -0.191 1
1 1062 . 10 1 1 A 94 94 PRO CB C 128 31.430 31.746 -0.316 1
1 1065 . 10 1 1 A 95 95 HIS H H 129 7.922 8.038 -0.116 1
1 1066 . 10 1 1 A 95 95 HIS HA H 129 4.640 4.577 0.063 1
1 1071 . 10 1 1 A 95 95 HIS CA C 129 56.900 56.422 0.478 1
1 1072 . 10 1 1 A 95 95 HIS CB C 129 28.550 29.828 -1.278 1
1 1075 . 10 1 1 A 95 95 HIS N N 129 112.757 114.407 -1.650 1
1 1076 . 10 1 1 A 96 96 LEU H H 130 7.717 7.773 -0.056 1
1 1077 . 10 1 1 A 96 96 LEU HA H 130 4.640 4.980 -0.340 1
1 1087 . 10 1 1 A 96 96 LEU CA C 130 53.300 54.581 -1.281 1
1 1088 . 10 1 1 A 96 96 LEU CB C 130 42.370 43.173 -0.803 1
1 1092 . 10 1 1 A 96 96 LEU N N 130 121.128 119.288 1.840 1
1 1093 . 10 1 1 A 97 97 VAL H H 131 7.184 7.383 -0.199 1
1 1094 . 10 1 1 A 97 97 VAL HA H 131 3.730 3.994 -0.264 1
1 1102 . 10 1 1 A 97 97 VAL CA C 131 60.640 59.726 0.914 1
1 1103 . 10 1 1 A 97 97 VAL CB C 131 31.420 31.877 -0.457 1
1 1106 . 10 1 1 A 97 97 VAL N N 131 125.572 121.239 4.333 1
1 1107 . 10 1 1 A 98 98 PRO HA H 132 2.680 2.873 -0.193 1
1 1114 . 10 1 1 A 98 98 PRO CA C 132 59.880 61.156 -1.276 1
1 1115 . 10 1 1 A 98 98 PRO CB C 132 30.700 31.886 -1.186 1
1 1118 . 10 1 1 A 99 99 PRO HA H 133 3.600 4.025 -0.425 1
1 1125 . 10 1 1 A 99 99 PRO CA C 133 64.990 65.222 -0.232 1
1 1126 . 10 1 1 A 99 99 PRO CB C 133 31.400 31.964 -0.564 1
1 1129 . 10 1 1 A 100 100 SER H H 134 9.200 8.026 1.174 1
1 1130 . 10 1 1 A 100 100 SER HA H 134 4.150 4.472 -0.322 1
1 1133 . 10 1 1 A 100 100 SER CA C 134 59.880 59.307 0.573 1
1 1134 . 10 1 1 A 100 100 SER CB C 134 61.340 63.230 -1.890 1
1 1135 . 10 1 1 A 100 100 SER N N 134 115.005 112.239 2.766 1
1 1136 . 10 1 1 A 101 101 LYS H H 135 7.867 7.405 0.462 1
1 1137 . 10 1 1 A 101 101 LYS HA H 135 4.447 4.497 -0.050 1
1 1146 . 10 1 1 A 101 101 LYS CA C 135 52.600 55.455 -2.855 1
1 1147 . 10 1 1 A 101 101 LYS CB C 135 30.700 33.402 -2.702 1
1 1151 . 10 1 1 A 101 101 LYS N N 135 121.053 118.484 2.569 1
1 1152 . 10 1 1 A 102 102 ARG H H 136 7.077 7.539 -0.462 1
1 1153 . 10 1 1 A 102 102 ARG HA H 136 4.100 4.814 -0.714 1
1 1164 . 10 1 1 A 102 102 ARG CA C 136 55.500 55.169 0.331 1
1 1165 . 10 1 1 A 102 102 ARG CB C 136 30.000 31.729 -1.729 1
1 1168 . 10 1 1 A 102 102 ARG N N 136 121.939 116.972 4.967 1
1 1169 . 10 1 1 A 103 103 ARG H H 137 8.289 8.835 -0.546 1
1 1170 . 10 1 1 A 103 103 ARG HA H 137 4.290 4.938 -0.648 1
1 1181 . 10 1 1 A 103 103 ARG CA C 137 54.770 54.155 0.615 1
1 1182 . 10 1 1 A 103 103 ARG CB C 137 30.000 34.802 -4.802 1
1 1185 . 10 1 1 A 103 103 ARG N N 137 123.504 121.901 1.603 1
1 1186 . 10 1 1 A 104 104 HIS H H 138 8.370 8.500 -0.130 1
1 1187 . 10 1 1 A 104 104 HIS HA H 138 4.660 5.170 -0.510 1
1 1192 . 10 1 1 A 104 104 HIS CA C 138 54.040 54.517 -0.477 1
1 1193 . 10 1 1 A 104 104 HIS CB C 138 29.240 31.043 -1.803 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 98 1.489 1
3 1 1 1 "RMS(OBS, PRED)" CB 92 1.569 1
4 1 1 1 "RMS(OBS, PRED)" H 90 0.554 1
5 1 1 1 "RMS(OBS, PRED)" HA 104 0.302 1
6 1 1 1 "RMS(OBS, PRED)" N 85 4.013 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 98 1.465 1
9 1 2 1 "RMS(OBS, PRED)" CB 92 1.544 1
10 1 2 1 "RMS(OBS, PRED)" H 90 0.563 1
11 1 2 1 "RMS(OBS, PRED)" HA 104 0.294 1
12 1 2 1 "RMS(OBS, PRED)" N 85 4.121 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 98 1.541 1
15 1 3 1 "RMS(OBS, PRED)" CB 92 1.581 1
16 1 3 1 "RMS(OBS, PRED)" H 90 0.573 1
17 1 3 1 "RMS(OBS, PRED)" HA 104 0.301 1
18 1 3 1 "RMS(OBS, PRED)" N 85 4.416 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 98 1.490 1
21 1 4 1 "RMS(OBS, PRED)" CB 92 1.549 1
22 1 4 1 "RMS(OBS, PRED)" H 90 0.586 1
23 1 4 1 "RMS(OBS, PRED)" HA 104 0.314 1
24 1 4 1 "RMS(OBS, PRED)" N 85 4.147 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 98 1.452 1
27 1 5 1 "RMS(OBS, PRED)" CB 92 1.463 1
28 1 5 1 "RMS(OBS, PRED)" H 90 0.605 1
29 1 5 1 "RMS(OBS, PRED)" HA 104 0.301 1
30 1 5 1 "RMS(OBS, PRED)" N 85 4.243 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 98 1.527 1
33 1 6 1 "RMS(OBS, PRED)" CB 92 1.612 1
34 1 6 1 "RMS(OBS, PRED)" H 90 0.588 1
35 1 6 1 "RMS(OBS, PRED)" HA 104 0.317 1
36 1 6 1 "RMS(OBS, PRED)" N 85 3.989 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 98 1.407 1
39 1 7 1 "RMS(OBS, PRED)" CB 92 1.332 1
40 1 7 1 "RMS(OBS, PRED)" H 90 0.574 1
41 1 7 1 "RMS(OBS, PRED)" HA 104 0.278 1
42 1 7 1 "RMS(OBS, PRED)" N 85 4.119 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 98 1.431 1
45 1 8 1 "RMS(OBS, PRED)" CB 92 1.543 1
46 1 8 1 "RMS(OBS, PRED)" H 90 0.584 1
47 1 8 1 "RMS(OBS, PRED)" HA 104 0.316 1
48 1 8 1 "RMS(OBS, PRED)" N 85 4.121 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 98 1.430 1
51 1 9 1 "RMS(OBS, PRED)" CB 92 1.495 1
52 1 9 1 "RMS(OBS, PRED)" H 90 0.568 1
53 1 9 1 "RMS(OBS, PRED)" HA 104 0.317 1
54 1 9 1 "RMS(OBS, PRED)" N 85 4.297 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 98 1.470 1
57 1 10 1 "RMS(OBS, PRED)" CB 92 1.626 1
58 1 10 1 "RMS(OBS, PRED)" H 90 0.577 1
59 1 10 1 "RMS(OBS, PRED)" HA 104 0.301 1
60 1 10 1 "RMS(OBS, PRED)" N 85 4.137 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 7 7 ASP H H 41 8.479 8.769 -0.290 2
1 2 . 1 1 A 7 7 ASP HA H 41 4.595 5.100 -0.505 2
1 5 . 1 1 A 7 7 ASP CA C 41 52.900 53.218 -0.318 2
1 6 . 1 1 A 7 7 ASP CB C 41 39.760 42.662 -2.902 2
1 7 . 1 1 A 7 7 ASP N N 41 124.447 126.124 -1.677 2
1 8 . 1 1 A 8 8 VAL H H 42 7.916 8.619 -0.703 2
1 9 . 1 1 A 8 8 VAL HA H 42 4.140 4.591 -0.451 2
1 17 . 1 1 A 8 8 VAL CA C 42 60.610 60.811 -0.201 2
1 18 . 1 1 A 8 8 VAL CB C 42 32.160 33.724 -1.564 2
1 21 . 1 1 A 8 8 VAL N N 42 120.853 123.221 -2.368 2
1 22 . 1 1 A 9 9 GLU H H 43 8.476 8.569 -0.093 2
1 23 . 1 1 A 9 9 GLU HA H 43 4.290 4.424 -0.134 2
1 28 . 1 1 A 9 9 GLU CA C 43 55.500 56.676 -1.176 2
1 29 . 1 1 A 9 9 GLU CB C 43 29.400 30.125 -0.726 2
1 31 . 1 1 A 9 9 GLU N N 43 127.650 125.262 2.388 2
1 32 . 1 1 A 10 10 TRP H H 44 8.839 8.727 0.112 2
1 33 . 1 1 A 10 10 TRP HA H 44 5.220 4.852 0.368 2
1 42 . 1 1 A 10 10 TRP CA C 44 54.040 56.019 -1.979 2
1 43 . 1 1 A 10 10 TRP CB C 44 27.800 29.782 -1.982 2
1 49 . 1 1 A 10 10 TRP N N 44 126.378 126.879 -0.501 2
1 50 . 1 1 A 11 11 VAL H H 45 9.230 8.475 0.755 2
1 51 . 1 1 A 11 11 VAL HA H 45 3.891 3.859 0.032 2
1 59 . 1 1 A 11 11 VAL CA C 45 63.530 64.195 -0.665 2
1 60 . 1 1 A 11 11 VAL CB C 45 30.700 31.438 -0.738 2
1 63 . 1 1 A 11 11 VAL N N 45 131.353 126.348 5.005 2
1 64 . 1 1 A 12 12 VAL H H 46 5.000 6.926 -1.926 2
1 65 . 1 1 A 12 12 VAL HA H 46 3.033 3.094 -0.061 2
1 73 . 1 1 A 12 12 VAL CA C 46 60.650 64.759 -4.109 2
1 74 . 1 1 A 12 12 VAL CB C 46 29.280 30.698 -1.417 2
1 77 . 1 1 A 13 13 GLY H H 47 7.330 8.191 -0.861 2
1 78 . 1 1 A 13 13 GLY HA2 H 47 3.580 3.836 -0.256 2
1 79 . 1 1 A 13 13 GLY HA3 H 47 4.180 3.935 0.245 2
1 80 . 1 1 A 13 13 GLY CA C 47 46.760 46.554 0.206 2
1 81 . 1 1 A 14 14 LYS H H 48 7.570 8.421 -0.851 2
1 82 . 1 1 A 14 14 LYS HA H 48 4.065 4.091 -0.026 2
1 91 . 1 1 A 14 14 LYS CA C 48 57.700 58.639 -0.939 2
1 92 . 1 1 A 14 14 LYS CB C 48 30.700 31.763 -1.063 2
1 96 . 1 1 A 14 14 LYS N N 48 121.084 117.871 3.213 2
1 97 . 1 1 A 15 15 ASP H H 49 7.309 7.468 -0.159 2
1 98 . 1 1 A 15 15 ASP HA H 49 4.778 4.786 -0.008 2
1 101 . 1 1 A 15 15 ASP CA C 49 52.880 53.191 -0.311 2
1 102 . 1 1 A 15 15 ASP CB C 49 42.300 41.491 0.809 2
1 103 . 1 1 A 15 15 ASP N N 49 118.181 119.141 -0.960 2
1 104 . 1 1 A 16 16 LYS H H 50 7.506 7.724 -0.218 2
1 105 . 1 1 A 16 16 LYS HA H 50 4.061 4.047 0.014 2
1 114 . 1 1 A 16 16 LYS CA C 50 60.610 61.162 -0.552 2
1 115 . 1 1 A 16 16 LYS CB C 50 30.700 31.191 -0.491 2
1 119 . 1 1 A 16 16 LYS N N 50 123.633 120.644 2.988 2
1 120 . 1 1 A 17 17 PRO HA H 51 4.430 4.297 0.133 2
1 127 . 1 1 A 17 17 PRO CA C 51 65.720 66.119 -0.399 2
1 128 . 1 1 A 17 17 PRO CB C 51 29.970 30.753 -0.783 2
1 131 . 1 1 A 18 18 THR H H 52 7.280 7.540 -0.260 2
1 132 . 1 1 A 18 18 THR HA H 52 3.970 4.034 -0.064 2
1 137 . 1 1 A 18 18 THR CA C 52 64.990 65.194 -0.204 2
1 138 . 1 1 A 18 18 THR CB C 52 67.170 68.168 -0.998 2
1 140 . 1 1 A 18 18 THR N N 52 115.095 111.395 3.700 2
1 141 . 1 1 A 19 19 TYR H H 53 7.083 7.395 -0.312 2
1 142 . 1 1 A 19 19 TYR HA H 53 4.716 4.416 0.300 2
1 149 . 1 1 A 19 19 TYR CA C 53 57.400 62.033 -4.633 2
1 150 . 1 1 A 19 19 TYR CB C 53 35.800 37.308 -1.508 2
1 155 . 1 1 A 19 19 TYR N N 53 125.380 119.589 5.791 2
1 156 . 1 1 A 20 20 ASP H H 54 9.596 8.589 1.006 2
1 157 . 1 1 A 20 20 ASP HA H 54 4.492 4.364 0.128 2
1 160 . 1 1 A 20 20 ASP CA C 54 56.200 57.247 -1.047 2
1 161 . 1 1 A 20 20 ASP CB C 54 38.730 40.483 -1.753 2
1 162 . 1 1 A 20 20 ASP N N 54 124.548 121.206 3.342 2
1 163 . 1 1 A 21 21 GLU H H 55 7.309 8.005 -0.696 2
1 164 . 1 1 A 21 21 GLU HA H 55 4.140 4.062 0.078 2
1 169 . 1 1 A 21 21 GLU CA C 55 58.420 59.197 -0.777 2
1 170 . 1 1 A 21 21 GLU CB C 55 29.250 29.503 -0.253 2
1 172 . 1 1 A 21 21 GLU N N 55 118.181 119.384 -1.203 2
1 173 . 1 1 A 22 22 ILE H H 56 7.249 7.736 -0.487 2
1 174 . 1 1 A 22 22 ILE HA H 56 3.940 4.014 -0.074 2
1 184 . 1 1 A 22 22 ILE CA C 56 62.870 64.609 -1.740 2
1 185 . 1 1 A 22 22 ILE CB C 56 38.000 37.473 0.527 2
1 189 . 1 1 A 22 22 ILE N N 56 118.978 120.784 -1.806 2
1 190 . 1 1 A 23 23 PHE H H 57 9.117 8.716 0.401 2
1 191 . 1 1 A 23 23 PHE HA H 57 3.090 3.840 -0.750 2
1 199 . 1 1 A 23 23 PHE CA C 57 61.300 61.469 -0.169 2
1 200 . 1 1 A 23 23 PHE CB C 57 38.730 39.156 -0.426 2
1 206 . 1 1 A 23 23 PHE N N 57 127.639 121.941 5.698 2
1 207 . 1 1 A 24 24 TYR H H 58 7.922 8.117 -0.195 2
1 208 . 1 1 A 24 24 TYR HA H 58 3.990 4.403 -0.413 2
1 215 . 1 1 A 24 24 TYR CA C 58 60.610 60.818 -0.208 2
1 216 . 1 1 A 24 24 TYR CB C 58 36.540 38.063 -1.523 2
1 221 . 1 1 A 24 24 TYR N N 58 112.757 114.579 -1.822 2
1 222 . 1 1 A 25 25 THR H H 59 8.081 7.767 0.314 2
1 223 . 1 1 A 25 25 THR HA H 59 4.640 4.375 0.265 2
1 229 . 1 1 A 25 25 THR CA C 59 62.070 63.326 -1.256 2
1 230 . 1 1 A 25 25 THR CB C 59 68.630 69.388 -0.758 2
1 232 . 1 1 A 25 25 THR N N 59 112.676 111.405 1.271 2
1 233 . 1 1 A 26 26 LEU H H 60 7.373 7.198 0.175 2
1 234 . 1 1 A 26 26 LEU HA H 60 4.460 4.315 0.145 2
1 244 . 1 1 A 26 26 LEU CA C 60 52.600 54.180 -1.580 2
1 245 . 1 1 A 26 26 LEU CB C 60 39.400 41.740 -2.340 2
1 249 . 1 1 A 26 26 LEU N N 60 125.808 120.458 5.350 2
1 250 . 1 1 A 27 27 SER H H 61 7.860 7.899 -0.039 2
1 251 . 1 1 A 27 27 SER HA H 61 3.980 4.089 -0.109 2
1 254 . 1 1 A 27 27 SER CA C 61 56.960 58.657 -1.697 2
1 255 . 1 1 A 27 27 SER CB C 61 60.640 61.613 -0.973 2
1 256 . 1 1 A 27 27 SER N N 61 111.582 113.220 -1.638 2
1 257 . 1 1 A 28 28 PRO HA H 62 4.190 4.468 -0.278 2
1 264 . 1 1 A 28 28 PRO CA C 62 62.070 62.135 -0.065 2
1 265 . 1 1 A 28 28 PRO CB C 62 29.970 32.042 -2.072 2
1 268 . 1 1 A 29 29 VAL H H 63 8.744 8.679 0.065 2
1 269 . 1 1 A 29 29 VAL HA H 63 4.180 4.529 -0.349 2
1 277 . 1 1 A 29 29 VAL CA C 63 60.640 60.352 0.288 2
1 278 . 1 1 A 29 29 VAL CB C 63 33.620 33.533 0.087 2
1 281 . 1 1 A 29 29 VAL N N 63 124.299 118.338 5.962 2
1 282 . 1 1 A 30 30 ASN H H 64 9.713 9.502 0.211 2
1 283 . 1 1 A 30 30 ASN HA H 64 4.410 4.468 -0.058 2
1 288 . 1 1 A 30 30 ASN CA C 64 53.320 54.576 -1.256 2
1 289 . 1 1 A 30 30 ASN CB C 64 36.540 37.070 -0.530 2
1 290 . 1 1 A 30 30 ASN N N 64 129.729 122.886 6.843 2
1 292 . 1 1 A 31 31 GLY H H 65 8.862 8.666 0.196 2
1 293 . 1 1 A 31 31 GLY HA2 H 65 3.770 3.960 -0.190 2
1 294 . 1 1 A 31 31 GLY HA3 H 65 4.250 4.059 0.191 2
1 295 . 1 1 A 31 31 GLY CA C 65 44.560 45.704 -1.144 2
1 296 . 1 1 A 31 31 GLY N N 65 130.641 104.533 26.108 2
1 297 . 1 1 A 32 32 LYS H H 66 7.501 7.739 -0.238 2
1 298 . 1 1 A 32 32 LYS HA H 66 5.400 5.451 -0.051 2
1 307 . 1 1 A 32 32 LYS CA C 66 54.040 54.458 -0.418 2
1 308 . 1 1 A 32 32 LYS CB C 66 36.540 36.147 0.393 2
1 312 . 1 1 A 32 32 LYS N N 66 118.738 119.292 -0.554 2
1 313 . 1 1 A 33 33 ILE H H 67 9.230 9.181 0.049 2
1 314 . 1 1 A 33 33 ILE HA H 67 5.010 4.871 0.139 2
1 324 . 1 1 A 33 33 ILE CA C 67 57.690 59.196 -1.506 2
1 325 . 1 1 A 33 33 ILE CB C 67 40.190 40.748 -0.558 2
1 329 . 1 1 A 33 33 ILE N N 67 118.166 118.986 -0.820 2
1 330 . 1 1 A 34 34 THR H H 68 8.262 8.448 -0.186 2
1 331 . 1 1 A 34 34 THR HA H 68 4.530 4.681 -0.151 2
1 337 . 1 1 A 34 34 THR CA C 68 59.100 60.429 -1.329 2
1 338 . 1 1 A 34 34 THR CB C 68 70.000 71.057 -1.057 2
1 340 . 1 1 A 34 34 THR N N 68 111.971 114.067 -2.096 2
1 341 . 1 1 A 35 35 GLY H H 69 9.000 8.833 0.167 2
1 342 . 1 1 A 35 35 GLY HA2 H 69 3.540 3.762 -0.222 2
1 343 . 1 1 A 35 35 GLY HA3 H 69 3.830 4.027 -0.197 2
1 344 . 1 1 A 35 35 GLY CA C 69 47.480 46.798 0.682 2
1 345 . 1 1 A 35 35 GLY N N 69 110.304 109.459 0.845 2
1 346 . 1 1 A 36 36 ALA H H 70 8.336 7.989 0.347 2
1 347 . 1 1 A 36 36 ALA HA H 70 3.880 3.969 -0.089 2
1 351 . 1 1 A 36 36 ALA CA C 70 54.040 54.637 -0.597 2
1 352 . 1 1 A 36 36 ALA CB C 70 17.570 18.669 -1.099 2
1 353 . 1 1 A 36 36 ALA N N 70 123.822 124.327 -0.505 2
1 354 . 1 1 A 37 37 ASN H H 71 7.560 7.830 -0.270 2
1 355 . 1 1 A 37 37 ASN HA H 71 4.680 4.563 0.117 2
1 360 . 1 1 A 37 37 ASN CA C 71 54.040 55.731 -1.691 2
1 361 . 1 1 A 37 37 ASN CB C 71 36.500 38.136 -1.636 2
1 362 . 1 1 A 37 37 ASN N N 71 118.643 117.151 1.492 2
1 364 . 1 1 A 38 38 ALA H H 72 8.810 7.984 0.826 2
1 365 . 1 1 A 38 38 ALA HA H 72 4.100 4.301 -0.201 2
1 369 . 1 1 A 38 38 ALA CA C 72 54.770 55.395 -0.625 2
1 370 . 1 1 A 38 38 ALA CB C 72 18.240 18.964 -0.724 2
1 371 . 1 1 A 38 38 ALA N N 72 123.731 122.527 1.204 2
1 372 . 1 1 A 39 39 LYS H H 73 8.837 8.153 0.684 2
1 373 . 1 1 A 39 39 LYS HA H 73 3.940 3.952 -0.012 2
1 382 . 1 1 A 39 39 LYS CA C 73 59.130 59.757 -0.627 2
1 383 . 1 1 A 39 39 LYS CB C 73 31.430 32.302 -0.872 2
1 387 . 1 1 A 39 39 LYS N N 73 120.046 118.525 1.521 2
1 388 . 1 1 A 40 40 LYS H H 74 7.319 7.757 -0.438 2
1 389 . 1 1 A 40 40 LYS HA H 74 3.990 4.020 -0.030 2
1 398 . 1 1 A 40 40 LYS CA C 74 58.470 59.849 -1.379 2
1 399 . 1 1 A 40 40 LYS CB C 74 31.430 32.263 -0.833 2
1 403 . 1 1 A 40 40 LYS N N 74 118.778 118.498 0.280 2
1 404 . 1 1 A 41 41 GLU H H 75 7.111 7.999 -0.888 2
1 405 . 1 1 A 41 41 GLU HA H 75 4.420 4.147 0.273 2
1 410 . 1 1 A 41 41 GLU CA C 75 56.200 59.407 -3.207 2
1 411 . 1 1 A 41 41 GLU CB C 75 29.240 29.357 -0.117 2
1 413 . 1 1 A 41 41 GLU N N 75 117.703 119.541 -1.838 2
1 414 . 1 1 A 42 42 MET H H 76 8.603 8.395 0.209 2
1 415 . 1 1 A 42 42 MET HA H 76 4.010 4.245 -0.235 2
1 423 . 1 1 A 42 42 MET CA C 76 59.100 58.706 0.394 2
1 424 . 1 1 A 42 42 MET CB C 76 33.620 32.297 1.323 2
1 427 . 1 1 A 42 42 MET N N 76 121.344 118.951 2.393 2
1 428 . 1 1 A 43 43 VAL H H 77 8.661 8.060 0.601 2
1 429 . 1 1 A 43 43 VAL HA H 77 4.063 3.837 0.226 2
1 437 . 1 1 A 43 43 VAL CA C 77 63.530 65.689 -2.159 2
1 438 . 1 1 A 43 43 VAL CB C 77 30.700 31.520 -0.820 2
1 441 . 1 1 A 43 43 VAL N N 77 117.339 117.451 -0.112 2
1 442 . 1 1 A 44 44 LYS H H 78 7.464 7.931 -0.467 2
1 443 . 1 1 A 44 44 LYS HA H 78 4.110 4.183 -0.073 2
1 452 . 1 1 A 44 44 LYS CA C 78 58.400 59.231 -0.831 2
1 453 . 1 1 A 44 44 LYS CB C 78 31.430 32.052 -0.622 2
1 457 . 1 1 A 44 44 LYS N N 78 124.308 121.340 2.968 2
1 458 . 1 1 A 45 45 SER H H 79 7.534 7.667 -0.133 2
1 459 . 1 1 A 45 45 SER HA H 79 4.071 4.441 -0.370 2
1 462 . 1 1 A 45 45 SER CA C 79 59.880 58.772 1.108 2
1 463 . 1 1 A 45 45 SER CB C 79 65.000 63.713 1.287 2
1 464 . 1 1 A 45 45 SER N N 79 114.575 111.843 2.732 2
1 465 . 1 1 A 46 46 LYS H H 80 7.822 7.805 0.017 2
1 466 . 1 1 A 46 46 LYS HA H 80 3.930 3.885 0.045 2
1 475 . 1 1 A 46 46 LYS CA C 80 57.000 57.492 -0.492 2
1 476 . 1 1 A 46 46 LYS CB C 80 28.510 29.274 -0.764 2
1 480 . 1 1 A 46 46 LYS N N 80 114.855 116.993 -2.137 2
1 481 . 1 1 A 47 47 LEU H H 81 7.505 7.675 -0.170 2
1 482 . 1 1 A 47 47 LEU HA H 81 4.470 4.534 -0.064 2
1 492 . 1 1 A 47 47 LEU CA C 81 52.600 52.602 -0.002 2
1 493 . 1 1 A 47 47 LEU CB C 81 40.920 41.704 -0.784 2
1 497 . 1 1 A 47 47 LEU N N 81 122.848 120.139 2.709 2
1 498 . 1 1 A 48 48 PRO HA H 82 4.510 4.571 -0.061 2
1 505 . 1 1 A 48 48 PRO CA C 82 61.340 62.896 -1.556 2
1 506 . 1 1 A 48 48 PRO CB C 82 32.100 32.628 -0.528 2
1 509 . 1 1 A 49 49 ASN H H 83 7.580 8.728 -1.148 2
1 510 . 1 1 A 49 49 ASN HA H 83 4.240 4.402 -0.162 2
1 515 . 1 1 A 49 49 ASN CA C 83 56.200 56.178 0.022 2
1 516 . 1 1 A 49 49 ASN CB C 83 37.270 37.852 -0.582 2
1 518 . 1 1 A 50 50 THR H H 84 7.010 8.044 -1.034 2
1 519 . 1 1 A 50 50 THR HA H 84 4.030 3.986 0.043 2
1 524 . 1 1 A 50 50 THR CA C 84 63.500 66.333 -2.833 2
1 525 . 1 1 A 50 50 THR CB C 84 67.170 68.252 -1.082 2
1 527 . 1 1 A 51 51 VAL H H 85 6.887 8.002 -1.115 2
1 528 . 1 1 A 51 51 VAL HA H 85 3.650 3.675 -0.025 2
1 536 . 1 1 A 51 51 VAL CA C 85 64.200 66.810 -2.610 2
1 537 . 1 1 A 51 51 VAL CB C 85 30.700 31.549 -0.849 2
1 540 . 1 1 A 51 51 VAL N N 85 125.031 122.279 2.752 2
1 541 . 1 1 A 52 52 LEU H H 86 8.043 8.382 -0.339 2
1 542 . 1 1 A 52 52 LEU HA H 86 3.730 4.052 -0.322 2
1 552 . 1 1 A 52 52 LEU CA C 86 56.960 58.210 -1.250 2
1 553 . 1 1 A 52 52 LEU CB C 86 39.430 41.711 -2.281 2
1 557 . 1 1 A 52 52 LEU N N 86 121.307 120.414 0.893 2
1 558 . 1 1 A 53 53 GLY H H 87 8.420 8.295 0.125 2
1 559 . 1 1 A 53 53 GLY HA2 H 87 3.890 3.691 0.199 2
1 560 . 1 1 A 53 53 GLY HA3 H 87 3.980 3.728 0.252 2
1 561 . 1 1 A 53 53 GLY CA C 87 46.020 47.332 -1.312 2
1 562 . 1 1 A 53 53 GLY N N 87 108.274 106.677 1.597 2
1 563 . 1 1 A 54 54 LYS H H 88 7.327 7.972 -0.645 2
1 564 . 1 1 A 54 54 LYS HA H 88 4.130 4.033 0.097 2
1 573 . 1 1 A 54 54 LYS CA C 88 58.420 59.424 -1.004 2
1 574 . 1 1 A 54 54 LYS CB C 88 31.430 32.365 -0.935 2
1 578 . 1 1 A 54 54 LYS N N 88 125.389 121.997 3.392 2
1 579 . 1 1 A 55 55 ILE H H 89 8.075 8.243 -0.168 2
1 580 . 1 1 A 55 55 ILE HA H 89 3.470 3.671 -0.201 2
1 590 . 1 1 A 55 55 ILE CA C 89 65.720 65.290 0.429 2
1 591 . 1 1 A 55 55 ILE CB C 89 36.540 37.608 -1.068 2
1 595 . 1 1 A 55 55 ILE N N 89 122.261 119.897 2.364 2
1 596 . 1 1 A 56 56 TRP H H 90 8.706 8.584 0.122 2
1 597 . 1 1 A 56 56 TRP HA H 90 3.810 4.193 -0.383 2
1 606 . 1 1 A 56 56 TRP CA C 90 60.610 60.374 0.236 2
1 607 . 1 1 A 56 56 TRP CB C 90 27.790 29.930 -2.140 2
1 613 . 1 1 A 56 56 TRP N N 90 121.947 122.178 -0.231 2
1 615 . 1 1 A 57 57 LYS H H 91 7.581 8.200 -0.619 2
1 616 . 1 1 A 57 57 LYS HA H 91 3.960 4.158 -0.198 2
1 625 . 1 1 A 57 57 LYS CA C 91 58.420 59.027 -0.607 2
1 626 . 1 1 A 57 57 LYS CB C 91 31.430 32.189 -0.759 2
1 630 . 1 1 A 57 57 LYS N N 91 116.801 119.549 -2.748 2
1 631 . 1 1 A 58 58 LEU H H 92 7.571 7.607 -0.036 2
1 632 . 1 1 A 58 58 LEU HA H 92 3.990 4.184 -0.194 2
1 642 . 1 1 A 58 58 LEU CA C 92 56.200 56.962 -0.762 2
1 643 . 1 1 A 58 58 LEU CB C 92 43.100 42.140 0.960 2
1 647 . 1 1 A 58 58 LEU N N 92 119.520 119.641 -0.121 2
1 648 . 1 1 A 59 59 ALA H H 93 8.135 7.822 0.313 2
1 649 . 1 1 A 59 59 ALA HA H 93 4.120 4.224 -0.104 2
1 653 . 1 1 A 59 59 ALA CA C 93 52.590 54.590 -2.000 2
1 654 . 1 1 A 59 59 ALA CB C 93 18.300 18.625 -0.325 2
1 655 . 1 1 A 59 59 ALA N N 93 120.126 120.395 -0.269 2
1 656 . 1 1 A 60 60 ASP H H 94 7.530 7.868 -0.338 2
1 657 . 1 1 A 60 60 ASP HA H 94 4.540 4.398 0.142 2
1 660 . 1 1 A 60 60 ASP CA C 94 51.100 53.607 -2.507 2
1 661 . 1 1 A 60 60 ASP CB C 94 35.840 40.099 -4.258 2
1 662 . 1 1 A 60 60 ASP N N 94 115.380 117.231 -1.851 2
1 663 . 1 1 A 61 61 VAL H H 95 8.340 8.200 0.140 2
1 664 . 1 1 A 61 61 VAL HA H 95 3.500 3.761 -0.261 2
1 672 . 1 1 A 61 61 VAL CA C 95 65.000 66.040 -1.040 2
1 673 . 1 1 A 61 61 VAL CB C 95 31.430 31.754 -0.324 2
1 676 . 1 1 A 61 61 VAL N N 95 129.560 124.613 4.947 2
1 677 . 1 1 A 62 62 ASP H H 96 7.927 7.717 0.210 2
1 678 . 1 1 A 62 62 ASP HA H 96 4.530 4.554 -0.024 2
1 681 . 1 1 A 62 62 ASP CA C 96 51.800 53.617 -1.817 2
1 682 . 1 1 A 62 62 ASP CB C 96 38.700 40.611 -1.911 2
1 683 . 1 1 A 62 62 ASP N N 96 115.789 117.143 -1.354 2
1 684 . 1 1 A 63 63 LYS H H 97 7.551 7.745 -0.194 2
1 685 . 1 1 A 63 63 LYS HA H 97 3.860 4.402 -0.542 2
1 694 . 1 1 A 63 63 LYS CA C 97 56.960 57.211 -0.251 2
1 695 . 1 1 A 63 63 LYS CB C 97 28.520 29.658 -1.138 2
1 699 . 1 1 A 63 63 LYS N N 97 115.740 115.302 0.437 2
1 700 . 1 1 A 64 64 ASP H H 98 8.363 8.161 0.202 2
1 701 . 1 1 A 64 64 ASP HA H 98 4.660 4.726 -0.067 2
1 704 . 1 1 A 64 64 ASP CA C 98 52.600 53.078 -0.478 2
1 705 . 1 1 A 64 64 ASP CB C 98 40.190 40.749 -0.559 2
1 706 . 1 1 A 64 64 ASP N N 98 120.463 118.482 1.981 2
1 707 . 1 1 A 65 65 GLY H H 99 10.641 8.525 2.116 2
1 708 . 1 1 A 65 65 GLY HA2 H 99 3.850 4.058 -0.208 2
1 709 . 1 1 A 65 65 GLY HA3 H 99 4.322 4.296 0.026 2
1 710 . 1 1 A 65 65 GLY CA C 99 44.800 46.104 -1.304 2
1 711 . 1 1 A 65 65 GLY N N 99 115.730 111.034 4.696 2
1 712 . 1 1 A 66 66 LEU H H 100 8.157 7.921 0.236 2
1 713 . 1 1 A 66 66 LEU HA H 100 5.120 5.118 0.002 2
1 723 . 1 1 A 66 66 LEU CA C 100 52.600 53.145 -0.545 2
1 724 . 1 1 A 66 66 LEU CB C 100 44.600 45.276 -0.676 2
1 728 . 1 1 A 66 66 LEU N N 100 123.435 121.567 1.868 2
1 729 . 1 1 A 67 67 LEU H H 101 8.687 9.123 -0.436 2
1 730 . 1 1 A 67 67 LEU HA H 101 5.800 5.028 0.772 2
1 740 . 1 1 A 67 67 LEU CA C 101 51.860 53.667 -1.808 2
1 741 . 1 1 A 67 67 LEU CB C 101 42.370 43.600 -1.230 2
1 745 . 1 1 A 67 67 LEU N N 101 121.109 122.563 -1.454 2
1 746 . 1 1 A 68 68 ASP H H 102 9.229 8.780 0.449 2
1 747 . 1 1 A 68 68 ASP HA H 102 5.610 4.978 0.632 2
1 750 . 1 1 A 68 68 ASP CA C 102 51.130 53.741 -2.611 2
1 751 . 1 1 A 68 68 ASP CB C 102 40.190 41.800 -1.610 2
1 752 . 1 1 A 68 68 ASP N N 102 124.386 124.673 -0.287 2
1 753 . 1 1 A 69 69 ASP H H 103 8.529 8.651 -0.122 2
1 754 . 1 1 A 69 69 ASP HA H 103 2.830 3.194 -0.364 2
1 757 . 1 1 A 69 69 ASP CA C 103 56.230 57.041 -0.811 2
1 758 . 1 1 A 69 69 ASP CB C 103 37.238 40.206 -2.968 2
1 759 . 1 1 A 69 69 ASP N N 103 117.423 120.892 -3.469 2
1 760 . 1 1 A 70 70 GLU H H 104 7.991 7.974 0.017 2
1 761 . 1 1 A 70 70 GLU HA H 104 4.061 4.323 -0.262 2
1 766 . 1 1 A 70 70 GLU CA C 104 59.130 59.443 -0.313 2
1 767 . 1 1 A 70 70 GLU CB C 104 29.134 29.381 -0.247 2
1 769 . 1 1 A 70 70 GLU N N 104 124.895 119.739 5.156 2
1 770 . 1 1 A 71 71 GLU H H 105 8.742 8.250 0.492 2
1 771 . 1 1 A 71 71 GLU HA H 105 4.000 4.140 -0.140 2
1 776 . 1 1 A 71 71 GLU CA C 105 59.150 59.002 0.148 2
1 777 . 1 1 A 71 71 GLU CB C 105 30.700 29.379 1.321 2
1 779 . 1 1 A 71 71 GLU N N 105 123.465 119.931 3.534 2
1 780 . 1 1 A 72 72 PHE H H 106 9.426 8.769 0.657 2
1 781 . 1 1 A 72 72 PHE HA H 106 4.230 4.170 0.060 2
1 789 . 1 1 A 72 72 PHE CA C 106 59.900 61.646 -1.746 2
1 790 . 1 1 A 72 72 PHE CB C 106 38.730 39.019 -0.289 2
1 796 . 1 1 A 72 72 PHE N N 106 120.806 121.867 -1.061 2
1 797 . 1 1 A 73 73 ALA H H 107 8.085 8.172 -0.087 2
1 798 . 1 1 A 73 73 ALA HA H 107 3.770 3.860 -0.089 2
1 802 . 1 1 A 73 73 ALA CA C 107 54.040 55.161 -1.121 2
1 803 . 1 1 A 73 73 ALA CB C 107 16.870 18.029 -1.159 2
1 804 . 1 1 A 73 73 ALA N N 107 126.845 121.228 5.617 2
1 805 . 1 1 A 74 74 LEU H H 108 8.431 8.012 0.419 2
1 806 . 1 1 A 74 74 LEU HA H 108 4.050 3.953 0.097 2
1 816 . 1 1 A 74 74 LEU CA C 108 56.960 57.659 -0.699 2
1 817 . 1 1 A 74 74 LEU CB C 108 41.600 41.596 0.004 2
1 821 . 1 1 A 74 74 LEU N N 108 121.250 120.368 0.882 2
1 822 . 1 1 A 75 75 ALA H H 109 8.651 8.362 0.289 2
1 823 . 1 1 A 75 75 ALA HA H 109 3.657 3.958 -0.300 2
1 827 . 1 1 A 75 75 ALA CA C 109 54.770 55.541 -0.771 2
1 828 . 1 1 A 75 75 ALA CB C 109 16.110 18.127 -2.017 2
1 829 . 1 1 A 75 75 ALA N N 109 122.981 120.957 2.024 2
1 830 . 1 1 A 76 76 ASN H H 110 7.240 7.989 -0.749 2
1 831 . 1 1 A 76 76 ASN HA H 110 3.790 4.118 -0.328 2
1 836 . 1 1 A 76 76 ASN CA C 110 55.540 55.848 -0.308 2
1 837 . 1 1 A 76 76 ASN CB C 110 37.200 37.183 0.017 2
1 838 . 1 1 A 76 76 ASN N N 110 115.681 116.374 -0.693 2
1 840 . 1 1 A 77 77 HIS H H 111 8.345 7.831 0.514 2
1 841 . 1 1 A 77 77 HIS HA H 111 4.094 4.301 -0.207 2
1 846 . 1 1 A 77 77 HIS CA C 111 59.150 59.587 -0.437 2
1 847 . 1 1 A 77 77 HIS CB C 111 30.700 29.866 0.834 2
1 850 . 1 1 A 77 77 HIS N N 111 124.686 120.559 4.127 2
1 851 . 1 1 A 78 78 LEU H H 112 8.290 8.223 0.066 2
1 852 . 1 1 A 78 78 LEU HA H 112 3.810 3.808 0.002 2
1 862 . 1 1 A 78 78 LEU CA C 112 56.200 57.867 -1.667 2
1 863 . 1 1 A 78 78 LEU CB C 112 41.600 41.353 0.247 2
1 867 . 1 1 A 78 78 LEU N N 112 119.085 119.310 -0.225 2
1 868 . 1 1 A 79 79 ILE H H 113 7.792 8.185 -0.394 2
1 869 . 1 1 A 79 79 ILE HA H 113 3.290 3.444 -0.154 2
1 879 . 1 1 A 79 79 ILE CA C 113 65.000 65.736 -0.736 2
1 880 . 1 1 A 79 79 ILE CB C 113 37.200 37.912 -0.712 2
1 884 . 1 1 A 79 79 ILE N N 113 121.304 119.854 1.450 2
1 885 . 1 1 A 80 80 LYS H H 114 7.546 8.023 -0.477 2
1 886 . 1 1 A 80 80 LYS HA H 114 3.820 3.970 -0.150 2
1 895 . 1 1 A 80 80 LYS CA C 114 59.100 59.416 -0.316 2
1 896 . 1 1 A 80 80 LYS CB C 114 30.700 32.195 -1.495 2
1 900 . 1 1 A 80 80 LYS N N 114 122.150 120.342 1.808 2
1 901 . 1 1 A 81 81 VAL H H 115 8.110 7.930 0.180 2
1 902 . 1 1 A 81 81 VAL HA H 115 3.740 3.524 0.216 2
1 910 . 1 1 A 81 81 VAL CA C 115 64.900 66.415 -1.515 2
1 911 . 1 1 A 81 81 VAL CB C 115 30.720 31.245 -0.525 2
1 914 . 1 1 A 81 81 VAL N N 115 118.999 119.564 -0.565 2
1 915 . 1 1 A 82 82 LYS H H 116 7.853 7.956 -0.103 2
1 916 . 1 1 A 82 82 LYS HA H 116 4.540 4.141 0.399 2
1 925 . 1 1 A 82 82 LYS CA C 116 56.230 59.569 -3.339 2
1 926 . 1 1 A 82 82 LYS CB C 116 30.700 32.103 -1.403 2
1 930 . 1 1 A 82 82 LYS N N 116 123.030 120.022 3.008 2
1 931 . 1 1 A 83 83 LEU H H 117 8.959 8.313 0.646 2
1 932 . 1 1 A 83 83 LEU HA H 117 4.080 4.065 0.015 2
1 942 . 1 1 A 83 83 LEU CA C 117 56.900 57.005 -0.105 2
1 943 . 1 1 A 83 83 LEU CB C 117 40.920 41.219 -0.299 2
1 947 . 1 1 A 83 83 LEU N N 117 125.378 119.574 5.804 2
1 948 . 1 1 A 84 84 GLU H H 118 7.817 7.870 -0.053 2
1 949 . 1 1 A 84 84 GLU HA H 118 4.150 4.367 -0.217 2
1 954 . 1 1 A 84 84 GLU CA C 118 56.200 56.620 -0.420 2
1 955 . 1 1 A 84 84 GLU CB C 118 29.200 30.215 -1.015 2
1 957 . 1 1 A 84 84 GLU N N 118 119.766 117.865 1.901 2
1 958 . 1 1 A 85 85 GLY H H 119 7.862 8.017 -0.155 2
1 959 . 1 1 A 85 85 GLY HA2 H 119 3.640 3.849 -0.209 2
1 960 . 1 1 A 85 85 GLY HA3 H 119 4.140 3.894 0.246 2
1 961 . 1 1 A 85 85 GLY CA C 119 43.800 45.656 -1.856 2
1 962 . 1 1 A 85 85 GLY N N 119 107.902 108.385 -0.483 2
1 963 . 1 1 A 86 86 HIS H H 120 7.714 7.780 -0.066 2
1 964 . 1 1 A 86 86 HIS HA H 120 4.680 4.858 -0.178 2
1 969 . 1 1 A 86 86 HIS CA C 120 54.000 55.291 -1.291 2
1 970 . 1 1 A 86 86 HIS CB C 120 30.000 32.907 -2.907 2
1 972 . 1 1 A 86 86 HIS N N 120 122.124 117.667 4.457 2
1 973 . 1 1 A 87 87 GLU H H 121 8.491 8.943 -0.452 2
1 974 . 1 1 A 87 87 GLU HA H 121 4.300 4.944 -0.644 2
1 979 . 1 1 A 87 87 GLU CA C 121 54.040 55.020 -0.980 2
1 980 . 1 1 A 87 87 GLU CB C 121 29.240 32.697 -3.457 2
1 982 . 1 1 A 87 87 GLU N N 121 121.826 121.644 0.182 2
1 983 . 1 1 A 88 88 LEU H H 122 8.672 8.743 -0.071 2
1 984 . 1 1 A 88 88 LEU HA H 122 4.410 4.940 -0.530 2
1 994 . 1 1 A 88 88 LEU CA C 122 51.130 51.451 -0.321 2
1 995 . 1 1 A 88 88 LEU CB C 122 40.200 43.339 -3.139 2
1 999 . 1 1 A 88 88 LEU N N 122 125.316 121.903 3.413 2
1 1000 . 1 1 A 89 89 PRO HA H 123 4.560 4.442 0.118 2
1 1007 . 1 1 A 89 89 PRO CA C 123 61.340 63.789 -2.449 2
1 1008 . 1 1 A 89 89 PRO CB C 123 30.700 32.018 -1.318 2
1 1011 . 1 1 A 90 90 ALA H H 124 8.464 7.981 0.483 2
1 1012 . 1 1 A 90 90 ALA HA H 124 4.063 3.958 0.105 2
1 1016 . 1 1 A 90 90 ALA CA C 124 53.320 53.538 -0.218 2
1 1017 . 1 1 A 90 90 ALA CB C 124 18.300 17.880 0.420 2
1 1018 . 1 1 A 90 90 ALA N N 124 123.603 120.118 3.485 2
1 1019 . 1 1 A 91 91 ASP H H 125 7.482 7.780 -0.298 2
1 1020 . 1 1 A 91 91 ASP HA H 125 4.640 5.196 -0.555 2
1 1023 . 1 1 A 91 91 ASP CA C 125 50.430 52.890 -2.460 2
1 1024 . 1 1 A 91 91 ASP CB C 125 43.100 44.418 -1.318 2
1 1025 . 1 1 A 91 91 ASP N N 125 115.317 116.450 -1.133 2
1 1026 . 1 1 A 92 92 LEU H H 126 8.883 9.010 -0.127 2
1 1027 . 1 1 A 92 92 LEU HA H 126 4.189 4.885 -0.696 2
1 1037 . 1 1 A 92 92 LEU CA C 126 52.500 51.312 1.188 2
1 1038 . 1 1 A 92 92 LEU CB C 126 41.600 43.292 -1.692 2
1 1042 . 1 1 A 92 92 LEU N N 126 125.329 123.750 1.579 2
1 1043 . 1 1 A 93 93 PRO HA H 127 4.860 4.596 0.264 2
1 1050 . 1 1 A 93 93 PRO CA C 127 59.800 61.689 -1.889 2
1 1051 . 1 1 A 93 93 PRO CB C 127 29.970 32.206 -2.236 2
1 1054 . 1 1 A 94 94 PRO HA H 128 4.210 4.200 0.010 2
1 1061 . 1 1 A 94 94 PRO CA C 128 65.000 65.124 -0.124 2
1 1062 . 1 1 A 94 94 PRO CB C 128 31.430 31.795 -0.365 2
1 1065 . 1 1 A 95 95 HIS H H 129 7.922 8.122 -0.200 2
1 1066 . 1 1 A 95 95 HIS HA H 129 4.640 4.579 0.061 2
1 1071 . 1 1 A 95 95 HIS CA C 129 56.900 56.143 0.757 2
1 1072 . 1 1 A 95 95 HIS CB C 129 28.550 29.977 -1.427 2
1 1075 . 1 1 A 95 95 HIS N N 129 112.757 114.533 -1.776 2
1 1076 . 1 1 A 96 96 LEU H H 130 7.717 7.809 -0.092 2
1 1077 . 1 1 A 96 96 LEU HA H 130 4.640 4.622 0.018 2
1 1087 . 1 1 A 96 96 LEU CA C 130 53.300 54.463 -1.163 2
1 1088 . 1 1 A 96 96 LEU CB C 130 42.370 42.840 -0.470 2
1 1092 . 1 1 A 96 96 LEU N N 130 121.128 119.337 1.791 2
1 1093 . 1 1 A 97 97 VAL H H 131 7.184 7.472 -0.288 2
1 1094 . 1 1 A 97 97 VAL HA H 131 3.730 4.152 -0.422 2
1 1102 . 1 1 A 97 97 VAL CA C 131 60.640 60.210 0.430 2
1 1103 . 1 1 A 97 97 VAL CB C 131 31.420 32.055 -0.635 2
1 1106 . 1 1 A 97 97 VAL N N 131 125.572 120.444 5.128 2
1 1107 . 1 1 A 98 98 PRO HA H 132 2.680 3.015 -0.335 2
1 1114 . 1 1 A 98 98 PRO CA C 132 59.880 61.270 -1.390 2
1 1115 . 1 1 A 98 98 PRO CB C 132 30.700 31.797 -1.097 2
1 1118 . 1 1 A 99 99 PRO HA H 133 3.600 4.043 -0.443 2
1 1125 . 1 1 A 99 99 PRO CA C 133 64.990 65.141 -0.151 2
1 1126 . 1 1 A 99 99 PRO CB C 133 31.400 31.750 -0.350 2
1 1129 . 1 1 A 100 100 SER H H 134 9.200 7.994 1.206 2
1 1130 . 1 1 A 100 100 SER HA H 134 4.150 4.339 -0.189 2
1 1133 . 1 1 A 100 100 SER CA C 134 59.880 59.501 0.379 2
1 1134 . 1 1 A 100 100 SER CB C 134 61.340 63.175 -1.835 2
1 1135 . 1 1 A 100 100 SER N N 134 115.005 111.822 3.183 2
1 1136 . 1 1 A 101 101 LYS H H 135 7.867 7.702 0.165 2
1 1137 . 1 1 A 101 101 LYS HA H 135 4.447 4.490 -0.043 2
1 1146 . 1 1 A 101 101 LYS CA C 135 52.600 55.332 -2.732 2
1 1147 . 1 1 A 101 101 LYS CB C 135 30.700 33.025 -2.325 2
1 1151 . 1 1 A 101 101 LYS N N 135 121.053 118.664 2.389 2
1 1152 . 1 1 A 102 102 ARG H H 136 7.077 7.463 -0.386 2
1 1153 . 1 1 A 102 102 ARG HA H 136 4.100 4.688 -0.588 2
1 1164 . 1 1 A 102 102 ARG CA C 136 55.500 55.436 0.064 2
1 1165 . 1 1 A 102 102 ARG CB C 136 30.000 31.518 -1.518 2
1 1168 . 1 1 A 102 102 ARG N N 136 121.939 117.653 4.286 2
1 1169 . 1 1 A 103 103 ARG H H 137 8.289 8.663 -0.374 2
1 1170 . 1 1 A 103 103 ARG HA H 137 4.290 4.872 -0.582 2
1 1181 . 1 1 A 103 103 ARG CA C 137 54.770 54.859 -0.089 2
1 1182 . 1 1 A 103 103 ARG CB C 137 30.000 32.683 -2.683 2
1 1185 . 1 1 A 103 103 ARG N N 137 123.504 123.173 0.331 2
1 1186 . 1 1 A 104 104 HIS H H 138 8.370 8.841 -0.471 2
1 1187 . 1 1 A 104 104 HIS HA H 138 4.660 5.094 -0.434 2
1 1192 . 1 1 A 104 104 HIS CA C 138 54.040 54.556 -0.516 2
1 1193 . 1 1 A 104 104 HIS CB C 138 29.240 32.156 -2.916 2
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